Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 11792. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: EM64W-G09RevD.01 13-Apr-2013 31-Oct-2016 ****************************************** %chk=\\icnas1.cc.ic.ac.uk\jr814\Desktop\3rd year computational lab\Exercise2\end o_opt+freq_as_TS_unfreeze_endo_JiajunREN.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=(calcfc,ts) freq b3lyp/6-31g(d) geom=connectivity gfprint integr al=grid=ultrafine pop=full ---------------------------------------------------------------------- 1/5=1,10=4,14=-1,18=20,26=4,38=1,57=2/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,24=100,25=1,30=1,71=2,74=-5,75=-5,140=1/1,2,3; 4//1; 5/5=2,38=5/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1,13=1/2; 6/7=3,28=1/1; 7/10=1,18=20,25=1/1,2,3,16; 1/5=1,10=4,14=-1,18=20,26=4/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,71=1,74=-5,75=-5/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,14=-1,18=20,26=4/3(-5); 2/9=110/2; 6/7=3,19=2,28=1/1; 99/9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 0.10274 -1.84932 0. C 1.0324 -2.68359 -0.829 C 2.09157 -1.96744 -1.58957 C 2.12838 -0.52868 -1.59799 C 1.12468 0.25467 -0.83611 C 0.14447 -0.51661 -0.00282 H -0.61383 -2.42116 0.59515 H 2.4069 -2.48577 -2.50139 H 2.48495 -0.03393 -2.50604 H -0.53466 0.10149 0.58992 O 0.91305 -3.89223 -0.86364 O 1.08277 1.46897 -0.86996 C 4.57439 -1.32009 -1.09306 H 5.61763 -1.36335 -0.71986 H 4.64204 -1.31839 -2.1903 C 3.72923 -2.44341 -0.49857 H 3.89552 -3.48113 -0.73739 C 3.3071 -1.96445 0.8071 H 2.94993 -2.60492 1.59574 C 3.82103 -0.14047 -0.49004 H 4.04269 0.88333 -0.73974 C 3.35896 -0.58962 0.80966 H 3.0483 0.07274 1.60008 Add virtual bond connecting atoms C16 and C3 Dist= 3.83D+00. Add virtual bond connecting atoms C20 and C4 Dist= 3.89D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4992 calculate D2E/DX2 analytically ! ! R2 R(1,6) 1.3334 calculate D2E/DX2 analytically ! ! R3 R(1,7) 1.093 calculate D2E/DX2 analytically ! ! R4 R(2,3) 1.4877 calculate D2E/DX2 analytically ! ! R5 R(2,11) 1.215 calculate D2E/DX2 analytically ! ! R6 R(3,4) 1.4393 calculate D2E/DX2 analytically ! ! R7 R(3,8) 1.0952 calculate D2E/DX2 analytically ! ! R8 R(3,16) 2.0245 calculate D2E/DX2 analytically ! ! R9 R(4,5) 1.4838 calculate D2E/DX2 analytically ! ! R10 R(4,9) 1.0938 calculate D2E/DX2 analytically ! ! R11 R(4,20) 2.0599 calculate D2E/DX2 analytically ! ! R12 R(5,6) 1.5 calculate D2E/DX2 analytically ! ! R13 R(5,12) 1.2155 calculate D2E/DX2 analytically ! ! R14 R(6,10) 1.093 calculate D2E/DX2 analytically ! ! R15 R(13,14) 1.1088 calculate D2E/DX2 analytically ! ! R16 R(13,15) 1.0993 calculate D2E/DX2 analytically ! ! R17 R(13,16) 1.5263 calculate D2E/DX2 analytically ! ! R18 R(13,20) 1.524 calculate D2E/DX2 analytically ! ! R19 R(16,17) 1.0778 calculate D2E/DX2 analytically ! ! R20 R(16,18) 1.4534 calculate D2E/DX2 analytically ! ! R21 R(18,19) 1.0769 calculate D2E/DX2 analytically ! ! R22 R(18,22) 1.3758 calculate D2E/DX2 analytically ! ! R23 R(20,21) 1.0769 calculate D2E/DX2 analytically ! ! R24 R(20,22) 1.4507 calculate D2E/DX2 analytically ! ! R25 R(22,23) 1.077 calculate D2E/DX2 analytically ! ! A1 A(2,1,6) 122.3872 calculate D2E/DX2 analytically ! ! A2 A(2,1,7) 114.6134 calculate D2E/DX2 analytically ! ! A3 A(6,1,7) 122.9967 calculate D2E/DX2 analytically ! ! A4 A(1,2,3) 117.1498 calculate D2E/DX2 analytically ! ! A5 A(1,2,11) 120.5588 calculate D2E/DX2 analytically ! ! A6 A(3,2,11) 122.2912 calculate D2E/DX2 analytically ! ! A7 A(2,3,4) 120.1605 calculate D2E/DX2 analytically ! ! A8 A(2,3,8) 113.7529 calculate D2E/DX2 analytically ! ! A9 A(2,3,16) 100.7913 calculate D2E/DX2 analytically ! ! A10 A(4,3,8) 117.4428 calculate D2E/DX2 analytically ! ! A11 A(4,3,16) 102.5618 calculate D2E/DX2 analytically ! ! A12 A(8,3,16) 95.9977 calculate D2E/DX2 analytically ! ! A13 A(3,4,5) 120.4952 calculate D2E/DX2 analytically ! ! A14 A(3,4,9) 117.7329 calculate D2E/DX2 analytically ! ! A15 A(3,4,20) 101.903 calculate D2E/DX2 analytically ! ! A16 A(5,4,9) 114.0786 calculate D2E/DX2 analytically ! ! A17 A(5,4,20) 100.3795 calculate D2E/DX2 analytically ! ! A18 A(9,4,20) 95.3592 calculate D2E/DX2 analytically ! ! A19 A(4,5,6) 117.1182 calculate D2E/DX2 analytically ! ! A20 A(4,5,12) 122.4424 calculate D2E/DX2 analytically ! ! A21 A(6,5,12) 120.4393 calculate D2E/DX2 analytically ! ! A22 A(1,6,5) 122.3816 calculate D2E/DX2 analytically ! ! A23 A(1,6,10) 123.0008 calculate D2E/DX2 analytically ! ! A24 A(5,6,10) 114.6148 calculate D2E/DX2 analytically ! ! A25 A(14,13,15) 106.1464 calculate D2E/DX2 analytically ! ! A26 A(14,13,16) 111.1724 calculate D2E/DX2 analytically ! ! A27 A(14,13,20) 111.2296 calculate D2E/DX2 analytically ! ! A28 A(15,13,16) 115.0856 calculate D2E/DX2 analytically ! ! A29 A(15,13,20) 115.0967 calculate D2E/DX2 analytically ! ! A30 A(16,13,20) 98.1532 calculate D2E/DX2 analytically ! ! A31 A(3,16,13) 93.7265 calculate D2E/DX2 analytically ! ! A32 A(3,16,17) 103.4011 calculate D2E/DX2 analytically ! ! A33 A(3,16,18) 99.8865 calculate D2E/DX2 analytically ! ! A34 A(13,16,17) 122.4724 calculate D2E/DX2 analytically ! ! A35 A(13,16,18) 105.5573 calculate D2E/DX2 analytically ! ! A36 A(17,16,18) 124.1376 calculate D2E/DX2 analytically ! ! A37 A(16,18,19) 123.9333 calculate D2E/DX2 analytically ! ! A38 A(16,18,22) 108.6646 calculate D2E/DX2 analytically ! ! A39 A(19,18,22) 127.2611 calculate D2E/DX2 analytically ! ! A40 A(4,20,13) 92.7223 calculate D2E/DX2 analytically ! ! A41 A(4,20,21) 102.9199 calculate D2E/DX2 analytically ! ! A42 A(4,20,22) 99.3116 calculate D2E/DX2 analytically ! ! A43 A(13,20,21) 122.8449 calculate D2E/DX2 analytically ! ! A44 A(13,20,22) 105.8008 calculate D2E/DX2 analytically ! ! A45 A(21,20,22) 124.588 calculate D2E/DX2 analytically ! ! A46 A(18,22,20) 108.6473 calculate D2E/DX2 analytically ! ! A47 A(18,22,23) 127.2318 calculate D2E/DX2 analytically ! ! A48 A(20,22,23) 123.9845 calculate D2E/DX2 analytically ! ! D1 D(6,1,2,3) 4.6456 calculate D2E/DX2 analytically ! ! D2 D(6,1,2,11) -175.5309 calculate D2E/DX2 analytically ! ! D3 D(7,1,2,3) -175.9344 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,11) 3.889 calculate D2E/DX2 analytically ! ! D5 D(2,1,6,5) 0.0228 calculate D2E/DX2 analytically ! ! D6 D(2,1,6,10) 179.3832 calculate D2E/DX2 analytically ! ! D7 D(7,1,6,5) -179.3484 calculate D2E/DX2 analytically ! ! D8 D(7,1,6,10) 0.012 calculate D2E/DX2 analytically ! ! D9 D(1,2,3,4) -4.9679 calculate D2E/DX2 analytically ! ! D10 D(1,2,3,8) -151.9051 calculate D2E/DX2 analytically ! ! D11 D(1,2,3,16) 106.5525 calculate D2E/DX2 analytically ! ! D12 D(11,2,3,4) 175.2119 calculate D2E/DX2 analytically ! ! D13 D(11,2,3,8) 28.2747 calculate D2E/DX2 analytically ! ! D14 D(11,2,3,16) -73.2677 calculate D2E/DX2 analytically ! ! D15 D(2,3,4,5) 0.8172 calculate D2E/DX2 analytically ! ! D16 D(2,3,4,9) -146.8081 calculate D2E/DX2 analytically ! ! D17 D(2,3,4,20) 110.5616 calculate D2E/DX2 analytically ! ! D18 D(8,3,4,5) 146.5773 calculate D2E/DX2 analytically ! ! D19 D(8,3,4,9) -1.0479 calculate D2E/DX2 analytically ! ! D20 D(8,3,4,20) -103.6783 calculate D2E/DX2 analytically ! ! D21 D(16,3,4,5) -109.7522 calculate D2E/DX2 analytically ! ! D22 D(16,3,4,9) 102.6226 calculate D2E/DX2 analytically ! ! D23 D(16,3,4,20) -0.0077 calculate D2E/DX2 analytically ! ! D24 D(2,3,16,13) -162.6217 calculate D2E/DX2 analytically ! ! D25 D(2,3,16,17) 72.7251 calculate D2E/DX2 analytically ! ! D26 D(2,3,16,18) -56.1122 calculate D2E/DX2 analytically ! ! D27 D(4,3,16,13) -38.1163 calculate D2E/DX2 analytically ! ! D28 D(4,3,16,17) -162.7695 calculate D2E/DX2 analytically ! ! D29 D(4,3,16,18) 68.3932 calculate D2E/DX2 analytically ! ! D30 D(8,3,16,13) 81.763 calculate D2E/DX2 analytically ! ! D31 D(8,3,16,17) -42.8902 calculate D2E/DX2 analytically ! ! D32 D(8,3,16,18) -171.7275 calculate D2E/DX2 analytically ! ! D33 D(3,4,5,6) 3.7698 calculate D2E/DX2 analytically ! ! D34 D(3,4,5,12) -176.3595 calculate D2E/DX2 analytically ! ! D35 D(9,4,5,6) 152.4969 calculate D2E/DX2 analytically ! ! D36 D(9,4,5,12) -27.6324 calculate D2E/DX2 analytically ! ! D37 D(20,4,5,6) -106.7923 calculate D2E/DX2 analytically ! ! D38 D(20,4,5,12) 73.0785 calculate D2E/DX2 analytically ! ! D39 D(3,4,20,13) 38.1534 calculate D2E/DX2 analytically ! ! D40 D(3,4,20,21) 162.7636 calculate D2E/DX2 analytically ! ! D41 D(3,4,20,22) -68.348 calculate D2E/DX2 analytically ! ! D42 D(5,4,20,13) 162.615 calculate D2E/DX2 analytically ! ! D43 D(5,4,20,21) -72.7747 calculate D2E/DX2 analytically ! ! D44 D(5,4,20,22) 56.1137 calculate D2E/DX2 analytically ! ! D45 D(9,4,20,13) -81.6773 calculate D2E/DX2 analytically ! ! D46 D(9,4,20,21) 42.933 calculate D2E/DX2 analytically ! ! D47 D(9,4,20,22) 171.8213 calculate D2E/DX2 analytically ! ! D48 D(4,5,6,1) -4.2882 calculate D2E/DX2 analytically ! ! D49 D(4,5,6,10) 176.3018 calculate D2E/DX2 analytically ! ! D50 D(12,5,6,1) 175.8383 calculate D2E/DX2 analytically ! ! D51 D(12,5,6,10) -3.5717 calculate D2E/DX2 analytically ! ! D52 D(14,13,16,3) -175.8868 calculate D2E/DX2 analytically ! ! D53 D(14,13,16,17) -67.4204 calculate D2E/DX2 analytically ! ! D54 D(14,13,16,18) 82.7669 calculate D2E/DX2 analytically ! ! D55 D(15,13,16,3) -55.1831 calculate D2E/DX2 analytically ! ! D56 D(15,13,16,17) 53.2833 calculate D2E/DX2 analytically ! ! D57 D(15,13,16,18) -156.5294 calculate D2E/DX2 analytically ! ! D58 D(20,13,16,3) 67.5122 calculate D2E/DX2 analytically ! ! D59 D(20,13,16,17) 175.9786 calculate D2E/DX2 analytically ! ! D60 D(20,13,16,18) -33.8341 calculate D2E/DX2 analytically ! ! D61 D(14,13,20,4) 176.7334 calculate D2E/DX2 analytically ! ! D62 D(14,13,20,21) 69.4482 calculate D2E/DX2 analytically ! ! D63 D(14,13,20,22) -82.7918 calculate D2E/DX2 analytically ! ! D64 D(15,13,20,4) 55.9772 calculate D2E/DX2 analytically ! ! D65 D(15,13,20,21) -51.308 calculate D2E/DX2 analytically ! ! D66 D(15,13,20,22) 156.452 calculate D2E/DX2 analytically ! ! D67 D(16,13,20,4) -66.71 calculate D2E/DX2 analytically ! ! D68 D(16,13,20,21) -173.9952 calculate D2E/DX2 analytically ! ! D69 D(16,13,20,22) 33.7648 calculate D2E/DX2 analytically ! ! D70 D(3,16,18,19) 102.0279 calculate D2E/DX2 analytically ! ! D71 D(3,16,18,22) -73.9282 calculate D2E/DX2 analytically ! ! D72 D(13,16,18,19) -161.2529 calculate D2E/DX2 analytically ! ! D73 D(13,16,18,22) 22.791 calculate D2E/DX2 analytically ! ! D74 D(17,16,18,19) -11.7007 calculate D2E/DX2 analytically ! ! D75 D(17,16,18,22) 172.3432 calculate D2E/DX2 analytically ! ! D76 D(16,18,22,20) -0.251 calculate D2E/DX2 analytically ! ! D77 D(16,18,22,23) 175.6051 calculate D2E/DX2 analytically ! ! D78 D(19,18,22,20) -176.0351 calculate D2E/DX2 analytically ! ! D79 D(19,18,22,23) -0.1789 calculate D2E/DX2 analytically ! ! D80 D(4,20,22,18) 73.0857 calculate D2E/DX2 analytically ! ! D81 D(4,20,22,23) -102.9356 calculate D2E/DX2 analytically ! ! D82 D(13,20,22,18) -22.4473 calculate D2E/DX2 analytically ! ! D83 D(13,20,22,23) 161.5314 calculate D2E/DX2 analytically ! ! D84 D(21,20,22,18) -174.067 calculate D2E/DX2 analytically ! ! D85 D(21,20,22,23) 9.9118 calculate D2E/DX2 analytically ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 138 maximum allowed number of steps= 138. Search for a saddle point of order 1. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.102740 -1.849315 0.000000 2 6 0 1.032403 -2.683586 -0.829000 3 6 0 2.091573 -1.967437 -1.589565 4 6 0 2.128377 -0.528680 -1.597994 5 6 0 1.124676 0.254674 -0.836107 6 6 0 0.144471 -0.516612 -0.002815 7 1 0 -0.613825 -2.421155 0.595146 8 1 0 2.406904 -2.485770 -2.501393 9 1 0 2.484951 -0.033931 -2.506037 10 1 0 -0.534662 0.101494 0.589924 11 8 0 0.913054 -3.892231 -0.863642 12 8 0 1.082774 1.468971 -0.869964 13 6 0 4.574391 -1.320090 -1.093058 14 1 0 5.617633 -1.363353 -0.719861 15 1 0 4.642041 -1.318394 -2.190304 16 6 0 3.729226 -2.443409 -0.498568 17 1 0 3.895518 -3.481133 -0.737389 18 6 0 3.307097 -1.964453 0.807103 19 1 0 2.949927 -2.604915 1.595736 20 6 0 3.821032 -0.140466 -0.490036 21 1 0 4.042692 0.883329 -0.739740 22 6 0 3.358963 -0.589624 0.809661 23 1 0 3.048304 0.072736 1.600078 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.499174 0.000000 3 C 2.548750 1.487673 0.000000 4 C 2.898425 2.536953 1.439252 0.000000 5 C 2.483988 2.939717 2.537788 1.483756 0.000000 6 C 1.333359 2.483300 2.900668 2.545707 1.500020 7 H 1.093007 2.192516 3.506851 3.988859 3.497275 8 H 3.459944 2.173771 1.095232 2.173455 3.453595 9 H 3.905223 3.455868 2.175572 1.093830 2.173087 10 H 2.135403 3.496528 3.990960 3.503695 2.193270 11 O 2.361354 1.215017 2.370802 3.650994 4.152392 12 O 3.567678 4.153065 3.652999 2.369372 1.215491 13 C 4.633629 3.804540 2.613420 2.619976 3.800847 14 H 5.582867 4.772762 3.681630 3.693603 4.776839 15 H 5.067994 4.092235 2.699450 2.700553 4.084146 16 C 3.708493 2.727586 2.024532 2.727204 3.765271 17 H 4.194251 2.973533 2.504336 3.546887 4.652264 18 C 3.306445 2.892787 2.687290 3.038966 3.519606 19 H 3.350191 3.092318 3.359954 3.896872 4.174045 20 C 4.121407 3.789302 2.745508 2.059942 2.747041 21 H 4.851575 4.668264 3.557518 2.528828 2.986522 22 C 3.584042 3.533096 3.043178 2.704600 2.900591 23 H 3.864049 4.190655 3.905312 3.381661 3.109412 6 7 8 9 10 6 C 0.000000 7 H 2.135382 0.000000 8 H 3.903726 4.326376 0.000000 9 H 3.460773 4.991852 2.453085 0.000000 10 H 1.092985 2.523896 4.990289 4.326821 0.000000 11 O 3.567429 2.573614 2.625252 4.478259 4.489830 12 O 2.361123 4.489775 4.478265 2.627080 2.572424 13 C 4.632321 5.565965 2.835528 2.831338 5.563789 14 H 5.584499 6.455947 3.839591 3.843369 6.458486 15 H 5.065185 6.049706 2.540744 2.530330 6.045164 16 C 4.099852 4.478705 2.400341 3.373979 5.083511 17 H 4.837183 4.820101 2.513649 4.123229 5.850083 18 C 3.571332 3.953117 3.468179 3.921701 4.367427 19 H 3.845381 3.706113 4.134675 4.863199 4.525336 20 C 3.727730 5.103638 3.397906 2.420893 4.494099 21 H 4.207020 5.863846 4.138847 2.527396 4.830263 22 C 3.316385 4.379905 3.932539 3.473693 3.960586 23 H 3.368804 4.543189 4.876414 4.145953 3.722752 11 12 13 14 15 11 O 0.000000 12 O 5.363891 0.000000 13 C 4.480394 4.474374 0.000000 14 H 5.343123 5.348788 1.108829 0.000000 15 H 4.721230 4.709680 1.099331 1.765221 0.000000 16 C 3.187976 4.737970 1.526292 2.186681 2.227299 17 H 3.013309 5.694966 2.292919 2.729648 2.710295 18 C 3.498451 4.421376 2.373152 2.833993 3.344236 19 H 3.443047 5.114928 3.394005 3.744345 4.341945 20 C 4.761476 3.198858 1.524040 2.185417 2.225417 21 H 5.711038 3.020108 2.294034 2.743796 2.703875 22 C 4.437299 3.498570 2.373012 2.835434 3.343230 23 H 5.133242 3.451650 3.394391 3.747789 4.340764 16 17 18 19 20 16 C 0.000000 17 H 1.077757 0.000000 18 C 1.453399 2.243215 0.000000 19 H 2.240424 2.665590 1.076896 0.000000 20 C 2.304788 3.350640 2.296438 3.344066 0.000000 21 H 3.350166 4.366943 3.323204 4.337791 1.076866 22 C 2.298929 3.322962 1.375809 2.201505 1.450677 23 H 3.346484 4.337224 2.201346 2.679461 2.238558 21 22 23 21 H 0.000000 22 C 2.244486 0.000000 23 H 2.668448 1.077028 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.031996 -0.604413 0.552228 2 6 0 -1.102333 -1.438683 -0.276772 3 6 0 -0.043163 -0.722533 -1.037337 4 6 0 -0.006361 0.716224 -1.045766 5 6 0 -1.010062 1.499577 -0.283879 6 6 0 -1.990267 0.728290 0.549413 7 1 0 -2.748561 -1.176254 1.147374 8 1 0 0.272168 -1.240866 -1.949165 9 1 0 0.350213 1.210973 -1.953809 10 1 0 -2.669400 1.346396 1.142152 11 8 0 -1.221681 -2.647328 -0.311414 12 8 0 -1.051965 2.713874 -0.317736 13 6 0 2.439654 -0.075184 -0.540830 14 1 0 3.482896 -0.118446 -0.167633 15 1 0 2.507304 -0.073488 -1.638076 16 6 0 1.594490 -1.198504 0.053660 17 1 0 1.760783 -2.236228 -0.185161 18 6 0 1.172361 -0.719548 1.359331 19 1 0 0.815191 -1.360010 2.147964 20 6 0 1.686294 1.104439 0.062192 21 1 0 1.907953 2.128235 -0.187512 22 6 0 1.224225 0.655281 1.361889 23 1 0 0.913566 1.317641 2.152306 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0613201 1.0387683 0.6777791 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -3.839916762454 -1.142174817451 1.043559395344 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C1 Shell 2 SP 3 bf 2 - 5 -3.839916762454 -1.142174817451 1.043559395344 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C1 Shell 3 SP 1 bf 6 - 9 -3.839916762454 -1.142174817451 1.043559395344 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -3.839916762454 -1.142174817451 1.043559395344 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -2.083106904171 -2.718716976442 -0.523023568818 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C2 Shell 6 SP 3 bf 17 - 20 -2.083106904171 -2.718716976442 -0.523023568818 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C2 Shell 7 SP 1 bf 21 - 24 -2.083106904171 -2.718716976442 -0.523023568818 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -2.083106904171 -2.718716976442 -0.523023568818 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -0.081566871263 -1.365389728337 -1.960283125076 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 -0.081566871263 -1.365389728337 -1.960283125076 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 -0.081566871263 -1.365389728337 -1.960283125076 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -0.081566871263 -1.365389728337 -1.960283125076 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 -0.012019791969 1.353467034860 -1.976211626650 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 14 SP 3 bf 47 - 50 -0.012019791969 1.353467034860 -1.976211626650 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 15 SP 1 bf 51 - 54 -0.012019791969 1.353467034860 -1.976211626650 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 -0.012019791969 1.353467034860 -1.976211626650 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 -1.908741108697 2.833789884773 -0.536453852444 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 18 SP 3 bf 62 - 65 -1.908741108697 2.833789884773 -0.536453852444 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 19 SP 1 bf 66 - 69 -1.908741108697 2.833789884773 -0.536453852444 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 -1.908741108697 2.833789884773 -0.536453852444 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 -3.761058825497 1.376268938673 1.038239816280 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C6 Shell 22 SP 3 bf 77 - 80 -3.761058825497 1.376268938673 1.038239816280 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C6 Shell 23 SP 1 bf 81 - 84 -3.761058825497 1.376268938673 1.038239816280 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 -3.761058825497 1.376268938673 1.038239816280 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 -5.194027414458 -2.222797005234 2.168222344427 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 26 S 1 bf 92 - 92 -5.194027414458 -2.222797005234 2.168222344427 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 0.514323225048 -2.344896617683 -3.683388325373 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 28 S 1 bf 94 - 94 0.514323225048 -2.344896617683 -3.683388325373 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 0.661806588398 2.288407744505 -3.692164213534 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 0.661806588398 2.288407744505 -3.692164213534 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 -5.044435234927 2.544318866286 2.158354194561 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 -5.044435234927 2.544318866286 2.158354194561 0.1612777588D+00 0.1000000000D+01 Atom O11 Shell 33 S 6 bf 99 - 99 -2.308641811164 -5.002725217517 -0.588487461513 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O11 Shell 34 SP 3 bf 100 - 103 -2.308641811164 -5.002725217517 -0.588487461513 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O11 Shell 35 SP 1 bf 104 - 107 -2.308641811164 -5.002725217517 -0.588487461513 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O11 Shell 36 D 1 bf 108 - 113 -2.308641811164 -5.002725217517 -0.588487461513 0.8000000000D+00 0.1000000000D+01 Atom O12 Shell 37 S 6 bf 114 - 114 -1.987926439791 5.128478588822 -0.600434310126 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O12 Shell 38 SP 3 bf 115 - 118 -1.987926439791 5.128478588822 -0.600434310126 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O12 Shell 39 SP 1 bf 119 - 122 -1.987926439791 5.128478588822 -0.600434310126 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O12 Shell 40 D 1 bf 123 - 128 -1.987926439791 5.128478588822 -0.600434310126 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 4.610278106105 -0.142077041544 -1.022020872016 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C13 Shell 42 SP 3 bf 130 - 133 4.610278106105 -0.142077041544 -1.022020872016 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C13 Shell 43 SP 1 bf 134 - 137 4.610278106105 -0.142077041544 -1.022020872016 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 4.610278106105 -0.142077041544 -1.022020872016 0.8000000000D+00 0.1000000000D+01 Atom H14 Shell 45 S 3 bf 144 - 144 6.581719848635 -0.223830522049 -0.316780748401 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 46 S 1 bf 145 - 145 6.581719848635 -0.223830522049 -0.316780748401 0.1612777588D+00 0.1000000000D+01 Atom H15 Shell 47 S 3 bf 146 - 146 4.738118076164 -0.138871953114 -3.095515312420 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H15 Shell 48 S 1 bf 147 - 147 4.738118076164 -0.138871953114 -3.095515312420 0.1612777588D+00 0.1000000000D+01 Atom C16 Shell 49 S 6 bf 148 - 148 3.013149593836 -2.264843721999 0.101402416724 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C16 Shell 50 SP 3 bf 149 - 152 3.013149593836 -2.264843721999 0.101402416724 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C16 Shell 51 SP 1 bf 153 - 156 3.013149593836 -2.264843721999 0.101402416724 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 52 D 1 bf 157 - 162 3.013149593836 -2.264843721999 0.101402416724 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 53 S 3 bf 163 - 163 3.327397663898 -4.225857605978 -0.349903868058 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 54 S 1 bf 164 - 164 3.327397663898 -4.225857605978 -0.349903868058 0.1612777588D+00 0.1000000000D+01 Atom C18 Shell 55 S 6 bf 165 - 165 2.215440591705 -1.359748756834 2.568763026375 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C18 Shell 56 SP 3 bf 166 - 169 2.215440591705 -1.359748756834 2.568763026375 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C18 Shell 57 SP 1 bf 170 - 173 2.215440591705 -1.359748756834 2.568763026375 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C18 Shell 58 D 1 bf 174 - 179 2.215440591705 -1.359748756834 2.568763026375 0.8000000000D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 1.540488177760 -2.570047131475 4.059063415731 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 60 S 1 bf 181 - 181 1.540488177760 -2.570047131475 4.059063415731 0.1612777588D+00 0.1000000000D+01 Atom C20 Shell 61 S 6 bf 182 - 182 3.186633947557 2.087088000871 0.117525560089 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C20 Shell 62 SP 3 bf 183 - 186 3.186633947557 2.087088000871 0.117525560089 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C20 Shell 63 SP 1 bf 187 - 190 3.186633947557 2.087088000871 0.117525560089 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C20 Shell 64 D 1 bf 191 - 196 3.186633947557 2.087088000871 0.117525560089 0.8000000000D+00 0.1000000000D+01 Atom H21 Shell 65 S 3 bf 197 - 197 3.605508933448 4.021780537040 -0.354346614197 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 66 S 1 bf 198 - 198 3.605508933448 4.021780537040 -0.354346614197 0.1612777588D+00 0.1000000000D+01 Atom C22 Shell 67 S 6 bf 199 - 199 2.313450832710 1.238301619278 2.573596945822 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C22 Shell 68 SP 3 bf 200 - 203 2.313450832710 1.238301619278 2.573596945822 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C22 Shell 69 SP 1 bf 204 - 207 2.313450832710 1.238301619278 2.573596945822 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C22 Shell 70 D 1 bf 208 - 213 2.313450832710 1.238301619278 2.573596945822 0.8000000000D+00 0.1000000000D+01 Atom H23 Shell 71 S 3 bf 214 - 214 1.726389296508 2.489980102163 4.067268606600 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 72 S 1 bf 215 - 215 1.726389296508 2.489980102163 4.067268606600 0.1612777588D+00 0.1000000000D+01 There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 782.9903329022 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 215 RedAO= T EigKep= 6.29D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -575.529542327 A.U. after 15 cycles NFock= 15 Conv=0.46D-08 -V/T= 2.0094 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 215 NBasis= 215 NAE= 46 NBE= 46 NFC= 0 NFV= 0 NROrb= 215 NOA= 46 NOB= 46 NVA= 169 NVB= 169 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 24 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111 Differentiating once with respect to nuclear coordinates. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 66 vectors produced by pass 0 Test12= 1.08D-14 1.39D-09 XBig12= 1.99D-01 1.10D-01. AX will form 66 AO Fock derivatives at one time. 66 vectors produced by pass 1 Test12= 1.08D-14 1.39D-09 XBig12= 1.37D-01 8.59D-02. 66 vectors produced by pass 2 Test12= 1.08D-14 1.39D-09 XBig12= 1.55D-03 7.83D-03. 66 vectors produced by pass 3 Test12= 1.08D-14 1.39D-09 XBig12= 9.81D-06 4.73D-04. 66 vectors produced by pass 4 Test12= 1.08D-14 1.39D-09 XBig12= 2.70D-08 1.62D-05. 63 vectors produced by pass 5 Test12= 1.08D-14 1.39D-09 XBig12= 2.87D-11 7.51D-07. 11 vectors produced by pass 6 Test12= 1.08D-14 1.39D-09 XBig12= 2.64D-14 2.28D-08. InvSVY: IOpt=1 It= 1 EMax= 7.77D-16 Solved reduced A of dimension 404 with 72 vectors. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.13421 -19.13255 -10.27617 -10.27502 -10.22888 Alpha occ. eigenvalues -- -10.22868 -10.21529 -10.21441 -10.21258 -10.21026 Alpha occ. eigenvalues -- -10.20898 -10.20331 -10.20265 -1.03938 -1.03694 Alpha occ. eigenvalues -- -0.88445 -0.82940 -0.76784 -0.72667 -0.72445 Alpha occ. eigenvalues -- -0.67938 -0.62159 -0.58429 -0.57773 -0.54852 Alpha occ. eigenvalues -- -0.53460 -0.49358 -0.48028 -0.46600 -0.46407 Alpha occ. eigenvalues -- -0.44782 -0.41841 -0.40758 -0.40388 -0.39951 Alpha occ. eigenvalues -- -0.39755 -0.39040 -0.38804 -0.37962 -0.36479 Alpha occ. eigenvalues -- -0.32992 -0.29024 -0.26555 -0.25421 -0.24546 Alpha occ. eigenvalues -- -0.24054 Alpha virt. eigenvalues -- -0.08383 -0.03335 -0.01386 0.05189 0.06863 Alpha virt. eigenvalues -- 0.08144 0.11020 0.12150 0.13642 0.14076 Alpha virt. eigenvalues -- 0.15498 0.15584 0.16285 0.17406 0.17751 Alpha virt. eigenvalues -- 0.19075 0.19874 0.21046 0.21355 0.24729 Alpha virt. eigenvalues -- 0.26001 0.29527 0.31412 0.33453 0.34142 Alpha virt. eigenvalues -- 0.35664 0.37177 0.43767 0.44568 0.48207 Alpha virt. eigenvalues -- 0.48299 0.50823 0.52145 0.52781 0.53784 Alpha virt. eigenvalues -- 0.55919 0.56306 0.56994 0.58785 0.59678 Alpha virt. eigenvalues -- 0.61744 0.62732 0.65338 0.66370 0.66598 Alpha virt. eigenvalues -- 0.67706 0.68691 0.72502 0.73644 0.74406 Alpha virt. eigenvalues -- 0.75005 0.77169 0.80086 0.81325 0.81405 Alpha virt. eigenvalues -- 0.81920 0.82899 0.83197 0.84129 0.84574 Alpha virt. eigenvalues -- 0.86545 0.87763 0.88187 0.89109 0.91964 Alpha virt. eigenvalues -- 0.92688 0.93773 0.95561 0.96080 0.97632 Alpha virt. eigenvalues -- 0.99471 1.03201 1.03729 1.05664 1.07887 Alpha virt. eigenvalues -- 1.09536 1.12215 1.13674 1.19541 1.22189 Alpha virt. eigenvalues -- 1.24043 1.24999 1.25450 1.28438 1.36950 Alpha virt. eigenvalues -- 1.38758 1.40410 1.42778 1.43664 1.43788 Alpha virt. eigenvalues -- 1.47512 1.47798 1.49332 1.54873 1.56083 Alpha virt. eigenvalues -- 1.58041 1.63776 1.65955 1.68136 1.69232 Alpha virt. eigenvalues -- 1.76897 1.78392 1.80225 1.82254 1.83227 Alpha virt. eigenvalues -- 1.85152 1.86450 1.87795 1.91006 1.91574 Alpha virt. eigenvalues -- 1.92386 1.92751 1.95211 1.98936 1.99320 Alpha virt. eigenvalues -- 2.02329 2.03763 2.05615 2.08490 2.09772 Alpha virt. eigenvalues -- 2.11475 2.13716 2.14682 2.20944 2.21523 Alpha virt. eigenvalues -- 2.23327 2.23606 2.27397 2.29405 2.31175 Alpha virt. eigenvalues -- 2.31478 2.33809 2.38087 2.39748 2.43582 Alpha virt. eigenvalues -- 2.47438 2.52518 2.55594 2.57841 2.60478 Alpha virt. eigenvalues -- 2.61530 2.62761 2.63829 2.65336 2.66445 Alpha virt. eigenvalues -- 2.67195 2.70893 2.77081 2.82556 2.89639 Alpha virt. eigenvalues -- 2.94671 2.97306 2.98666 3.03359 3.18728 Alpha virt. eigenvalues -- 3.24015 4.01326 4.05388 4.08889 4.19280 Alpha virt. eigenvalues -- 4.26744 4.31799 4.35655 4.39453 4.52795 Alpha virt. eigenvalues -- 4.58803 4.64649 4.69207 4.93573 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.13421 -19.13255 -10.27617 -10.27502 -10.22888 1 1 C 1S 0.00002 0.00001 0.00194 0.00004 0.00002 2 2S 0.00018 0.00001 -0.00044 0.00009 0.00002 3 2PX 0.00000 0.00002 -0.00014 -0.00005 0.00002 4 2PY 0.00004 0.00010 0.00003 -0.00013 0.00000 5 2PZ 0.00000 -0.00002 0.00016 0.00006 0.00001 6 3S -0.00226 0.00209 0.00972 -0.00599 -0.00085 7 3PX -0.00136 0.00045 0.00422 -0.00189 -0.00017 8 3PY -0.00165 0.00062 0.00260 -0.00192 -0.00001 9 3PZ 0.00103 -0.00032 -0.00323 0.00136 0.00012 10 4XX -0.00001 0.00002 -0.00026 -0.00002 0.00001 11 4YY -0.00009 0.00005 -0.00034 0.00004 -0.00002 12 4ZZ 0.00000 0.00002 -0.00033 0.00000 0.00001 13 4XY 0.00001 -0.00001 0.00016 -0.00002 0.00003 14 4XZ 0.00005 0.00002 0.00003 -0.00002 0.00000 15 4YZ -0.00001 0.00001 -0.00020 0.00002 -0.00002 16 2 C 1S -0.00006 0.00003 0.99305 0.00438 -0.00001 17 2S 0.00022 0.00011 0.04967 -0.00016 0.00007 18 2PX 0.00002 -0.00001 0.00006 -0.00003 0.00011 19 2PY 0.00001 0.00002 -0.00057 -0.00009 0.00002 20 2PZ 0.00002 0.00000 0.00013 0.00000 -0.00001 21 3S -0.00223 -0.00044 -0.01504 0.00288 -0.00056 22 3PX 0.00084 0.00006 -0.00178 0.00017 -0.00056 23 3PY 0.00644 -0.00110 -0.01015 0.00309 0.00043 24 3PZ 0.00004 -0.00020 -0.00053 0.00037 0.00056 25 4XX -0.00007 0.00002 -0.00915 -0.00015 0.00009 26 4YY -0.00103 0.00008 -0.00800 -0.00023 0.00005 27 4ZZ -0.00010 0.00004 -0.00915 -0.00018 0.00005 28 4XY -0.00011 0.00001 0.00016 -0.00001 0.00001 29 4XZ -0.00003 0.00003 -0.00004 -0.00007 0.00001 30 4YZ -0.00001 0.00000 0.00004 0.00001 0.00001 31 3 C 1S 0.00006 0.00001 0.00194 0.00002 0.00001 32 2S 0.00033 -0.00001 -0.00049 0.00007 0.00033 33 2PX 0.00005 -0.00005 0.00011 0.00012 0.00003 34 2PY 0.00003 0.00010 -0.00001 -0.00016 -0.00017 35 2PZ 0.00004 0.00002 -0.00006 -0.00005 -0.00003 36 3S -0.00329 0.00166 0.00981 -0.00455 -0.00399 37 3PX 0.00078 -0.00002 -0.00324 0.00090 -0.00152 38 3PY -0.00135 0.00080 0.00196 -0.00166 -0.00195 39 3PZ -0.00136 0.00030 0.00309 -0.00098 -0.00059 40 4XX 0.00003 0.00002 -0.00029 -0.00001 -0.00002 41 4YY 0.00001 0.00005 -0.00027 -0.00002 0.00003 42 4ZZ 0.00009 0.00003 -0.00029 -0.00001 -0.00001 43 4XY 0.00000 0.00002 -0.00020 0.00002 -0.00001 44 4XZ 0.00004 0.00001 0.00003 -0.00001 -0.00002 45 4YZ 0.00001 0.00002 0.00011 -0.00002 -0.00005 46 4 C 1S 0.00001 0.00006 0.00000 0.00199 0.00001 47 2S 0.00000 0.00033 0.00007 -0.00050 -0.00131 48 2PX -0.00005 0.00005 0.00013 0.00011 0.00013 49 2PY -0.00009 -0.00004 0.00015 0.00000 0.00002 50 2PZ 0.00002 0.00005 -0.00005 -0.00007 0.00001 51 3S 0.00162 -0.00332 -0.00459 0.00991 0.00828 52 3PX -0.00004 0.00089 0.00095 -0.00337 0.00210 53 3PY -0.00079 0.00131 0.00162 -0.00173 -0.00196 54 3PZ 0.00030 -0.00140 -0.00102 0.00319 0.00234 55 4XX 0.00001 0.00003 0.00000 -0.00027 -0.00003 56 4YY 0.00005 0.00000 -0.00001 -0.00030 -0.00032 57 4ZZ 0.00003 0.00009 -0.00002 -0.00029 -0.00022 58 4XY -0.00002 0.00000 -0.00002 0.00020 0.00002 59 4XZ 0.00001 0.00004 -0.00001 0.00002 0.00025 60 4YZ -0.00002 -0.00001 0.00002 -0.00011 0.00000 61 5 C 1S 0.00003 -0.00006 -0.00457 0.99305 0.00001 62 2S 0.00011 0.00022 -0.00061 0.04968 -0.00003 63 2PX -0.00001 0.00002 -0.00002 0.00009 -0.00021 64 2PY -0.00002 -0.00001 0.00008 0.00056 0.00006 65 2PZ 0.00000 0.00002 -0.00001 0.00013 0.00007 66 3S -0.00041 -0.00218 0.00298 -0.01512 0.00066 67 3PX 0.00013 0.00043 -0.00004 -0.00116 0.00008 68 3PY 0.00109 -0.00652 -0.00317 0.01031 0.00255 69 3PZ -0.00021 0.00004 0.00041 -0.00051 -0.00054 70 4XX 0.00002 -0.00006 -0.00006 -0.00917 -0.00009 71 4YY 0.00008 -0.00104 -0.00016 -0.00799 -0.00002 72 4ZZ 0.00004 -0.00010 -0.00010 -0.00914 -0.00005 73 4XY 0.00000 0.00003 0.00001 -0.00007 0.00003 74 4XZ 0.00003 -0.00003 -0.00007 -0.00005 0.00002 75 4YZ 0.00000 0.00001 -0.00001 -0.00004 0.00006 76 6 C 1S 0.00001 0.00002 0.00002 0.00197 0.00012 77 2S 0.00001 0.00019 0.00009 -0.00044 0.00004 78 2PX 0.00002 0.00000 -0.00004 -0.00014 0.00011 79 2PY -0.00010 -0.00004 0.00013 -0.00002 0.00003 80 2PZ -0.00002 0.00000 0.00006 0.00016 -0.00004 81 3S 0.00206 -0.00229 -0.00602 0.00974 0.00073 82 3PX 0.00040 -0.00126 -0.00179 0.00405 0.00017 83 3PY -0.00063 0.00175 0.00202 -0.00290 -0.00041 84 3PZ -0.00030 0.00103 0.00137 -0.00323 -0.00026 85 4XX 0.00002 -0.00002 -0.00001 -0.00027 0.00006 86 4YY 0.00005 -0.00009 0.00004 -0.00032 0.00004 87 4ZZ 0.00002 0.00000 0.00000 -0.00033 0.00009 88 4XY 0.00001 -0.00001 0.00002 -0.00017 0.00001 89 4XZ 0.00001 0.00005 -0.00003 0.00004 -0.00002 90 4YZ -0.00002 0.00001 -0.00002 0.00019 0.00002 91 7 H 1S -0.00009 0.00001 0.00013 -0.00007 0.00001 92 2S -0.00078 0.00007 0.00151 -0.00045 -0.00001 93 8 H 1S -0.00003 -0.00002 0.00001 0.00003 0.00017 94 2S -0.00044 0.00006 0.00076 -0.00017 -0.00003 95 9 H 1S -0.00002 -0.00004 0.00003 0.00002 -0.00023 96 2S 0.00006 -0.00046 -0.00019 0.00079 -0.00002 97 10 H 1S 0.00001 -0.00009 -0.00007 0.00013 0.00003 98 2S 0.00006 -0.00079 -0.00045 0.00152 0.00007 99 11 O 1S 0.99264 0.00063 -0.00001 -0.00006 -0.00001 100 2S 0.02523 0.00015 0.00099 -0.00025 -0.00005 101 2PX 0.00012 0.00000 -0.00004 0.00000 0.00000 102 2PY 0.00115 0.00000 -0.00007 0.00002 -0.00001 103 2PZ 0.00003 0.00000 -0.00003 0.00001 0.00000 104 3S 0.01708 -0.00093 -0.00724 0.00187 0.00040 105 3PX 0.00022 -0.00005 -0.00004 0.00004 0.00010 106 3PY 0.00242 -0.00023 -0.00281 0.00036 0.00009 107 3PZ 0.00008 0.00002 0.00005 -0.00008 -0.00005 108 4XX -0.00845 0.00009 0.00070 -0.00016 -0.00001 109 4YY -0.00779 0.00005 -0.00005 -0.00010 -0.00003 110 4ZZ -0.00846 0.00009 0.00073 -0.00016 -0.00002 111 4XY 0.00008 -0.00001 -0.00003 0.00000 0.00002 112 4XZ 0.00001 -0.00001 0.00007 0.00001 0.00001 113 4YZ 0.00003 0.00001 -0.00001 -0.00001 -0.00001 114 12 O 1S -0.00057 0.99264 -0.00006 0.00000 0.00011 115 2S 0.00012 0.02523 -0.00026 0.00100 0.00049 116 2PX 0.00000 0.00005 0.00000 -0.00003 -0.00001 117 2PY 0.00000 -0.00115 -0.00002 0.00007 -0.00004 118 2PZ 0.00000 0.00003 0.00001 -0.00003 -0.00004 119 3S -0.00095 0.01709 0.00193 -0.00727 -0.00314 120 3PX -0.00003 0.00006 0.00002 0.00014 -0.00009 121 3PY 0.00023 -0.00243 -0.00039 0.00281 0.00082 122 3PZ 0.00003 0.00008 -0.00008 0.00005 0.00014 123 4XX 0.00010 -0.00846 -0.00017 0.00070 0.00029 124 4YY 0.00005 -0.00779 -0.00010 -0.00005 0.00024 125 4ZZ 0.00010 -0.00846 -0.00016 0.00073 0.00032 126 4XY 0.00001 -0.00003 0.00000 -0.00003 0.00004 127 4XZ -0.00001 0.00001 0.00001 0.00007 0.00001 128 4YZ -0.00001 -0.00003 0.00001 0.00001 -0.00002 129 13 C 1S 0.00001 0.00001 -0.00003 -0.00003 0.00672 130 2S 0.00005 0.00005 -0.00015 -0.00015 0.00015 131 2PX 0.00001 0.00000 -0.00004 -0.00004 -0.00007 132 2PY 0.00003 -0.00003 -0.00006 0.00006 0.00026 133 2PZ -0.00002 -0.00002 0.00002 0.00002 -0.00001 134 3S -0.00049 -0.00052 0.00142 0.00144 0.00546 135 3PX 0.00027 0.00028 -0.00058 -0.00058 -0.00132 136 3PY -0.00001 -0.00001 -0.00006 0.00009 0.00218 137 3PZ -0.00011 -0.00011 0.00057 0.00057 0.00121 138 4XX 0.00000 0.00000 0.00002 0.00002 -0.00014 139 4YY 0.00001 0.00001 -0.00001 -0.00001 -0.00038 140 4ZZ -0.00001 0.00000 0.00000 0.00000 -0.00017 141 4XY 0.00000 0.00000 0.00002 -0.00002 0.00004 142 4XZ 0.00002 0.00002 -0.00004 -0.00003 0.00008 143 4YZ 0.00000 0.00000 -0.00003 0.00003 -0.00007 144 14 H 1S 0.00000 0.00000 -0.00005 -0.00005 -0.00025 145 2S -0.00004 -0.00004 0.00007 0.00007 0.00006 146 15 H 1S 0.00003 0.00003 -0.00005 -0.00005 -0.00016 147 2S -0.00005 -0.00004 0.00024 0.00024 0.00003 148 16 C 1S -0.00004 0.00000 -0.00002 0.00006 -0.03321 149 2S -0.00022 0.00002 0.00016 0.00006 -0.00257 150 2PX -0.00001 0.00002 0.00016 -0.00008 -0.00001 151 2PY -0.00002 -0.00002 0.00005 0.00006 -0.00015 152 2PZ -0.00002 0.00000 -0.00002 0.00005 0.00013 153 3S 0.00127 -0.00007 -0.00247 0.00008 0.00491 154 3PX -0.00027 0.00011 0.00004 -0.00029 -0.00114 155 3PY 0.00058 0.00008 -0.00183 -0.00014 0.00292 156 3PZ 0.00023 -0.00011 -0.00101 0.00029 0.00064 157 4XX 0.00000 -0.00002 -0.00006 0.00010 0.00006 158 4YY -0.00005 -0.00001 -0.00007 0.00004 0.00037 159 4ZZ -0.00005 -0.00001 -0.00007 0.00005 0.00009 160 4XY 0.00000 0.00001 0.00002 -0.00004 -0.00011 161 4XZ 0.00000 -0.00001 0.00004 0.00001 -0.00001 162 4YZ 0.00000 -0.00001 0.00002 0.00001 0.00002 163 17 H 1S 0.00004 0.00001 -0.00008 -0.00001 0.00000 164 2S 0.00007 0.00003 -0.00069 -0.00006 0.00099 165 18 C 1S 0.00000 -0.00001 -0.00022 0.00007 -0.00013 166 2S 0.00004 -0.00004 -0.00056 0.00022 -0.00003 167 2PX 0.00002 -0.00001 0.00017 0.00000 0.00004 168 2PY 0.00002 0.00002 0.00004 -0.00004 -0.00006 169 2PZ 0.00004 0.00001 0.00008 -0.00007 -0.00001 170 3S -0.00085 0.00054 0.00456 -0.00245 -0.00459 171 3PX -0.00019 0.00007 -0.00014 0.00002 -0.00082 172 3PY -0.00030 0.00013 0.00072 -0.00095 -0.00127 173 3PZ 0.00038 -0.00015 -0.00186 0.00092 0.00217 174 4XX 0.00000 -0.00001 -0.00023 0.00010 0.00000 175 4YY -0.00003 0.00000 -0.00022 0.00006 0.00008 176 4ZZ -0.00002 -0.00002 -0.00010 0.00006 0.00008 177 4XY 0.00000 0.00000 0.00001 0.00005 -0.00002 178 4XZ 0.00000 0.00000 -0.00003 0.00000 -0.00003 179 4YZ 0.00000 0.00001 -0.00001 0.00003 -0.00008 180 19 H 1S -0.00004 0.00000 -0.00010 -0.00001 -0.00010 181 2S -0.00008 0.00002 0.00022 -0.00023 -0.00050 182 20 C 1S 0.00000 -0.00004 0.00006 -0.00002 0.99272 183 2S 0.00002 -0.00021 0.00005 0.00017 0.05082 184 2PX 0.00002 0.00000 -0.00008 0.00016 -0.00037 185 2PY 0.00002 0.00002 -0.00005 -0.00006 -0.00066 186 2PZ -0.00001 -0.00002 0.00005 -0.00002 -0.00012 187 3S -0.00012 0.00124 0.00017 -0.00252 -0.02512 188 3PX 0.00011 -0.00030 -0.00031 0.00019 0.00248 189 3PY -0.00006 -0.00055 0.00012 0.00184 0.00678 190 3PZ -0.00011 0.00021 0.00029 -0.00099 -0.00140 191 4XX -0.00002 0.00000 0.00010 -0.00006 -0.00869 192 4YY -0.00001 -0.00005 0.00003 -0.00007 -0.00834 193 4ZZ -0.00001 -0.00005 0.00004 -0.00006 -0.00856 194 4XY -0.00001 0.00000 0.00003 -0.00002 0.00002 195 4XZ -0.00001 0.00000 0.00001 0.00004 -0.00010 196 4YZ 0.00001 0.00000 -0.00001 -0.00002 -0.00012 197 21 H 1S 0.00001 0.00004 -0.00001 -0.00008 -0.00036 198 2S 0.00002 0.00007 -0.00005 -0.00069 0.00064 199 22 C 1S -0.00001 0.00000 0.00008 -0.00022 0.00721 200 2S -0.00004 0.00003 0.00023 -0.00057 -0.00006 201 2PX -0.00001 0.00002 -0.00001 0.00016 -0.00009 202 2PY -0.00002 -0.00003 0.00003 -0.00005 -0.00004 203 2PZ 0.00001 0.00004 -0.00007 0.00008 -0.00001 204 3S 0.00060 -0.00080 -0.00246 0.00460 0.01013 205 3PX 0.00006 -0.00017 0.00010 -0.00018 0.00153 206 3PY -0.00017 0.00030 0.00094 -0.00076 -0.00107 207 3PZ -0.00018 0.00036 0.00097 -0.00188 -0.00484 208 4XX -0.00002 -0.00001 0.00010 -0.00024 -0.00024 209 4YY 0.00000 -0.00003 0.00007 -0.00022 -0.00017 210 4ZZ -0.00002 -0.00002 0.00006 -0.00011 -0.00030 211 4XY 0.00000 -0.00001 -0.00005 0.00000 -0.00008 212 4XZ 0.00000 0.00000 0.00000 -0.00003 0.00012 213 4YZ -0.00001 0.00000 -0.00003 0.00002 0.00015 214 23 H 1S 0.00000 -0.00004 -0.00001 -0.00009 -0.00006 215 2S 0.00003 -0.00008 -0.00024 0.00023 0.00092 6 7 8 9 10 O O O O O Eigenvalues -- -10.22868 -10.21529 -10.21441 -10.21258 -10.21026 1 1 C 1S 0.00013 0.67210 0.73071 0.00005 0.00041 2 2S 0.00005 0.03323 0.03730 -0.00004 0.00006 3 2PX 0.00011 0.00011 0.00021 0.00000 -0.00011 4 2PY -0.00003 -0.00016 0.00045 -0.00001 0.00007 5 2PZ -0.00003 -0.00006 -0.00014 0.00000 0.00009 6 3S 0.00052 -0.00635 -0.01952 0.00044 -0.00353 7 3PX 0.00013 -0.00053 -0.00356 0.00013 -0.00129 8 3PY 0.00029 0.00090 -0.00336 -0.00016 -0.00295 9 3PZ -0.00022 0.00044 0.00294 -0.00011 0.00084 10 4XX 0.00006 -0.00658 -0.00681 -0.00001 -0.00002 11 4YY 0.00004 -0.00642 -0.00643 0.00000 0.00002 12 4ZZ 0.00009 -0.00660 -0.00684 -0.00002 -0.00004 13 4XY -0.00001 0.00003 0.00000 -0.00001 -0.00001 14 4XZ -0.00002 -0.00003 -0.00005 -0.00002 0.00000 15 4YZ -0.00002 -0.00003 0.00000 0.00000 0.00004 16 2 C 1S 0.00001 -0.00154 -0.00168 -0.00001 -0.00231 17 2S -0.00005 -0.00029 -0.00038 -0.00010 -0.00077 18 2PX -0.00021 0.00015 0.00011 -0.00001 -0.00003 19 2PY -0.00005 -0.00009 -0.00008 0.00001 -0.00003 20 2PZ 0.00007 -0.00008 -0.00005 0.00002 0.00015 21 3S 0.00085 0.00210 0.00649 0.00115 0.00741 22 3PX -0.00001 -0.00090 -0.00167 0.00075 0.00391 23 3PY -0.00244 0.00113 0.00304 -0.00015 0.00607 24 3PZ -0.00056 0.00062 0.00142 -0.00066 -0.00202 25 4XX -0.00009 -0.00021 -0.00023 0.00000 -0.00024 26 4YY -0.00002 -0.00013 -0.00015 0.00003 -0.00025 27 4ZZ -0.00005 -0.00017 -0.00023 -0.00004 -0.00033 28 4XY -0.00002 0.00006 0.00010 0.00004 -0.00008 29 4XZ 0.00001 0.00012 0.00012 -0.00003 0.00014 30 4YZ -0.00006 -0.00005 -0.00007 -0.00001 0.00014 31 3 C 1S 0.00011 -0.00056 0.00004 -0.00085 0.98073 32 2S -0.00125 -0.00019 0.00011 -0.00013 0.05051 33 2PX 0.00016 0.00005 0.00004 -0.00011 0.00019 34 2PY -0.00005 0.00000 0.00004 -0.00004 0.00014 35 2PZ 0.00002 -0.00003 0.00000 0.00003 0.00048 36 3S 0.00786 0.00049 -0.00272 -0.00060 -0.02726 37 3PX 0.00225 0.00006 0.00081 0.00082 0.00166 38 3PY 0.00171 -0.00018 -0.00169 0.00065 -0.00232 39 3PZ 0.00224 0.00012 -0.00072 -0.00049 -0.00496 40 4XX -0.00004 0.00000 0.00004 0.00003 -0.00875 41 4YY -0.00031 0.00001 0.00002 -0.00004 -0.00852 42 4ZZ -0.00022 -0.00002 0.00006 -0.00011 -0.00848 43 4XY -0.00003 0.00001 0.00001 0.00000 0.00005 44 4XZ 0.00025 -0.00002 0.00001 0.00003 -0.00010 45 4YZ -0.00001 -0.00002 -0.00001 0.00007 0.00005 46 4 C 1S -0.00002 -0.00045 -0.00008 -0.00058 0.15687 47 2S 0.00019 -0.00017 -0.00012 -0.00011 0.00710 48 2PX 0.00005 0.00005 -0.00003 -0.00011 0.00003 49 2PY 0.00017 -0.00001 0.00004 0.00005 0.00010 50 2PZ -0.00004 -0.00003 0.00000 0.00004 -0.00002 51 3S -0.00303 0.00023 0.00275 -0.00058 0.00812 52 3PX -0.00134 0.00013 -0.00089 0.00078 -0.00134 53 3PY 0.00180 0.00032 -0.00163 -0.00065 -0.00405 54 3PZ -0.00028 0.00005 0.00076 -0.00052 0.00224 55 4XX -0.00003 0.00000 -0.00004 0.00002 -0.00162 56 4YY -0.00001 0.00002 -0.00003 -0.00004 -0.00185 57 4ZZ -0.00004 -0.00002 -0.00006 -0.00011 -0.00161 58 4XY 0.00001 -0.00001 0.00001 0.00000 -0.00006 59 4XZ 0.00000 -0.00002 -0.00002 0.00003 -0.00009 60 4YZ 0.00005 0.00002 -0.00001 -0.00008 -0.00011 61 5 C 1S -0.00001 -0.00170 0.00157 -0.00001 -0.00035 62 2S 0.00009 -0.00032 0.00036 -0.00010 0.00002 63 2PX 0.00009 0.00016 -0.00010 0.00000 -0.00011 64 2PY -0.00003 0.00008 -0.00006 -0.00002 0.00002 65 2PZ 0.00000 -0.00008 0.00005 0.00002 0.00007 66 3S -0.00070 0.00262 -0.00627 0.00112 -0.00290 67 3PX -0.00064 -0.00111 0.00178 0.00068 -0.00022 68 3PY -0.00001 -0.00131 0.00285 0.00006 0.00143 69 3PZ 0.00054 0.00074 -0.00138 -0.00063 -0.00008 70 4XX 0.00009 -0.00023 0.00023 0.00000 -0.00009 71 4YY 0.00006 -0.00013 0.00013 0.00003 -0.00013 72 4ZZ 0.00005 -0.00019 0.00021 -0.00003 -0.00004 73 4XY 0.00000 -0.00006 0.00009 -0.00004 0.00004 74 4XZ 0.00002 0.00013 -0.00012 -0.00003 0.00003 75 4YZ -0.00001 0.00004 -0.00005 0.00001 -0.00001 76 6 C 1S 0.00003 0.73030 -0.67255 0.00005 0.00039 77 2S 0.00002 0.03620 -0.03442 -0.00004 -0.00023 78 2PX 0.00003 0.00013 -0.00016 -0.00001 -0.00006 79 2PY 0.00001 0.00011 0.00047 0.00001 0.00000 80 2PZ 0.00001 -0.00007 0.00013 0.00000 0.00002 81 3S -0.00060 -0.00792 0.01893 0.00041 0.00432 82 3PX -0.00010 -0.00084 0.00328 0.00013 0.00105 83 3PY -0.00011 -0.00057 -0.00365 0.00012 -0.00183 84 3PZ 0.00006 0.00068 -0.00288 -0.00009 -0.00076 85 4XX 0.00001 -0.00713 0.00624 -0.00001 -0.00005 86 4YY -0.00001 -0.00692 0.00588 0.00000 0.00002 87 4ZZ 0.00002 -0.00714 0.00627 -0.00002 -0.00009 88 4XY -0.00003 -0.00002 -0.00003 0.00000 0.00003 89 4XZ 0.00000 -0.00004 0.00005 -0.00001 -0.00004 90 4YZ 0.00002 0.00003 0.00000 0.00000 -0.00002 91 7 H 1S 0.00002 -0.00027 -0.00033 -0.00002 -0.00016 92 2S 0.00004 0.00124 0.00031 0.00003 -0.00055 93 8 H 1S -0.00021 -0.00002 -0.00005 0.00001 -0.00007 94 2S -0.00002 0.00000 -0.00029 -0.00038 0.00161 95 9 H 1S 0.00016 -0.00002 0.00005 0.00000 -0.00013 96 2S 0.00001 -0.00003 0.00030 -0.00040 0.00112 97 10 H 1S 0.00002 -0.00029 0.00031 -0.00002 0.00003 98 2S 0.00002 0.00127 -0.00021 0.00003 0.00049 99 11 O 1S 0.00011 -0.00003 0.00000 0.00001 -0.00015 100 2S 0.00049 -0.00014 -0.00002 0.00004 -0.00069 101 2PX -0.00001 -0.00001 -0.00003 -0.00001 0.00002 102 2PY 0.00004 0.00000 0.00002 0.00000 -0.00004 103 2PZ -0.00004 -0.00001 0.00002 -0.00001 0.00000 104 3S -0.00312 0.00063 0.00019 -0.00039 0.00416 105 3PX -0.00015 0.00012 0.00034 -0.00008 -0.00035 106 3PY -0.00082 0.00016 -0.00019 -0.00015 0.00097 107 3PZ 0.00014 0.00000 -0.00023 0.00013 0.00030 108 4XX 0.00029 -0.00007 0.00004 0.00002 -0.00040 109 4YY 0.00025 -0.00002 -0.00001 -0.00001 -0.00027 110 4ZZ 0.00032 -0.00008 0.00001 0.00001 -0.00046 111 4XY -0.00004 0.00000 0.00005 -0.00001 -0.00002 112 4XZ 0.00001 -0.00004 -0.00004 -0.00001 -0.00007 113 4YZ 0.00002 0.00003 -0.00002 0.00002 0.00005 114 12 O 1S 0.00000 -0.00003 0.00000 0.00000 -0.00004 115 2S 0.00001 -0.00015 0.00002 0.00003 -0.00018 116 2PX -0.00001 -0.00001 0.00003 -0.00001 -0.00002 117 2PY 0.00000 0.00000 0.00002 0.00001 0.00002 118 2PZ 0.00000 -0.00001 -0.00002 -0.00001 0.00001 119 3S 0.00006 0.00065 -0.00017 -0.00033 0.00061 120 3PX 0.00010 0.00014 -0.00034 -0.00005 0.00014 121 3PY -0.00002 -0.00015 -0.00017 0.00014 -0.00041 122 3PZ -0.00005 -0.00002 0.00023 0.00012 -0.00005 123 4XX 0.00002 -0.00007 -0.00004 0.00001 -0.00015 124 4YY 0.00000 -0.00002 0.00000 -0.00001 -0.00001 125 4ZZ 0.00001 -0.00008 -0.00002 0.00000 -0.00015 126 4XY -0.00002 0.00000 0.00005 0.00001 -0.00003 127 4XZ 0.00001 -0.00004 0.00003 -0.00001 -0.00003 128 4YZ 0.00001 -0.00002 -0.00002 -0.00002 0.00001 129 13 C 1S 0.00717 -0.00009 -0.00001 0.99302 0.00088 130 2S 0.00016 -0.00007 0.00000 0.05037 -0.00009 131 2PX -0.00009 -0.00002 0.00000 -0.00026 0.00018 132 2PY -0.00024 0.00000 -0.00002 0.00001 0.00013 133 2PZ 0.00000 0.00000 0.00000 0.00016 0.00001 134 3S 0.00584 0.00075 0.00003 -0.01998 -0.00067 135 3PX -0.00161 -0.00034 -0.00001 0.00208 -0.00021 136 3PY -0.00194 0.00001 -0.00003 -0.00007 0.00016 137 3PZ 0.00119 0.00023 0.00001 -0.00118 -0.00068 138 4XX -0.00015 0.00002 0.00000 -0.00885 -0.00001 139 4YY -0.00040 -0.00002 0.00000 -0.00900 -0.00004 140 4ZZ -0.00019 -0.00001 0.00000 -0.00877 -0.00009 141 4XY -0.00006 0.00000 0.00001 -0.00001 -0.00002 142 4XZ 0.00009 -0.00002 0.00000 0.00007 0.00009 143 4YZ 0.00006 0.00000 0.00001 0.00000 0.00000 144 14 H 1S -0.00025 -0.00002 0.00000 0.00003 0.00003 145 2S 0.00007 0.00003 0.00000 0.00243 0.00051 146 15 H 1S -0.00018 -0.00001 0.00000 0.00009 -0.00001 147 2S -0.00001 0.00002 0.00000 0.00256 -0.00040 148 16 C 1S 0.99272 -0.00006 -0.00005 -0.00712 -0.00058 149 2S 0.05080 0.00012 0.00004 -0.00041 -0.00115 150 2PX -0.00032 -0.00003 -0.00003 -0.00005 -0.00012 151 2PY 0.00068 0.00002 0.00001 0.00003 -0.00014 152 2PZ -0.00011 0.00000 -0.00004 0.00002 -0.00019 153 3S -0.02504 -0.00098 -0.00034 0.00448 0.00549 154 3PX 0.00199 0.00020 0.00016 0.00152 -0.00206 155 3PY -0.00673 -0.00045 -0.00011 0.00122 0.00181 156 3PZ -0.00130 -0.00006 0.00020 -0.00135 -0.00032 157 4XX -0.00869 0.00003 0.00003 -0.00013 0.00000 158 4YY -0.00831 0.00005 0.00004 -0.00016 -0.00032 159 4ZZ -0.00856 0.00006 0.00005 -0.00008 -0.00022 160 4XY 0.00000 0.00000 -0.00001 -0.00012 -0.00014 161 4XZ -0.00010 0.00002 0.00001 0.00007 0.00017 162 4YZ 0.00012 0.00000 -0.00001 0.00007 -0.00006 163 17 H 1S -0.00035 -0.00001 0.00000 -0.00018 -0.00013 164 2S 0.00075 -0.00007 0.00004 -0.00030 0.00028 165 18 C 1S 0.00711 -0.00030 -0.00023 -0.00043 -0.00090 166 2S -0.00006 -0.00012 -0.00016 -0.00030 -0.00041 167 2PX -0.00008 0.00014 0.00010 -0.00004 -0.00004 168 2PY 0.00004 -0.00006 0.00001 -0.00002 -0.00006 169 2PZ -0.00002 0.00000 0.00000 0.00005 0.00028 170 3S 0.00978 0.00062 0.00131 0.00055 -0.00003 171 3PX 0.00152 -0.00021 -0.00043 0.00027 0.00005 172 3PY 0.00087 0.00009 0.00062 0.00009 0.00098 173 3PZ -0.00470 -0.00027 -0.00003 -0.00050 -0.00007 174 4XX -0.00023 -0.00011 -0.00010 -0.00003 -0.00017 175 4YY -0.00017 -0.00005 -0.00003 -0.00001 -0.00014 176 4ZZ -0.00029 -0.00007 -0.00007 0.00002 -0.00015 177 4XY 0.00009 0.00002 -0.00003 0.00006 -0.00009 178 4XZ 0.00011 0.00000 0.00000 -0.00011 0.00008 179 4YZ -0.00016 -0.00002 -0.00003 0.00000 0.00002 180 19 H 1S -0.00007 -0.00007 -0.00011 -0.00001 0.00012 181 2S 0.00089 0.00008 0.00005 0.00030 0.00027 182 20 C 1S 0.03285 -0.00006 0.00004 -0.00714 0.00000 183 2S 0.00083 0.00011 -0.00002 -0.00042 0.00019 184 2PX -0.00002 -0.00004 0.00003 -0.00006 0.00010 185 2PY 0.00010 -0.00002 0.00001 -0.00002 0.00003 186 2PZ 0.00013 0.00000 0.00004 0.00002 0.00005 187 3S 0.00318 -0.00092 0.00023 0.00450 -0.00082 188 3PX -0.00112 0.00022 -0.00014 0.00139 0.00031 189 3PY -0.00238 0.00041 -0.00007 -0.00137 0.00057 190 3PZ 0.00059 -0.00003 -0.00019 -0.00136 -0.00027 191 4XX -0.00050 0.00003 -0.00003 -0.00012 -0.00003 192 4YY -0.00020 0.00005 -0.00003 -0.00018 -0.00008 193 4ZZ -0.00049 0.00006 -0.00005 -0.00008 -0.00001 194 4XY 0.00014 0.00000 -0.00001 0.00011 -0.00006 195 4XZ -0.00003 0.00002 -0.00001 0.00007 0.00000 196 4YZ -0.00002 0.00000 -0.00001 -0.00008 0.00001 197 21 H 1S -0.00003 -0.00001 0.00000 -0.00017 -0.00001 198 2S 0.00103 -0.00005 -0.00004 -0.00028 -0.00015 199 22 C 1S 0.00035 -0.00031 0.00021 -0.00044 -0.00045 200 2S -0.00004 -0.00012 0.00014 -0.00030 -0.00001 201 2PX 0.00003 0.00015 -0.00009 -0.00004 0.00005 202 2PY 0.00006 0.00005 0.00002 0.00002 0.00008 203 2PZ -0.00001 0.00000 0.00000 0.00005 0.00006 204 3S -0.00391 0.00061 -0.00126 0.00049 -0.00031 205 3PX -0.00063 -0.00024 0.00046 0.00025 0.00002 206 3PY 0.00123 -0.00009 0.00058 -0.00006 0.00040 207 3PZ 0.00186 -0.00023 0.00001 -0.00048 -0.00021 208 4XX -0.00001 -0.00012 0.00009 -0.00004 -0.00004 209 4YY 0.00007 -0.00005 0.00002 -0.00001 -0.00004 210 4ZZ 0.00006 -0.00007 0.00006 0.00002 -0.00006 211 4XY 0.00002 -0.00001 -0.00004 -0.00006 0.00001 212 4XZ -0.00002 0.00000 0.00000 -0.00011 0.00001 213 4YZ 0.00009 0.00002 -0.00003 0.00001 -0.00008 214 23 H 1S -0.00011 -0.00007 0.00010 -0.00001 0.00004 215 2S -0.00043 0.00007 -0.00003 0.00029 -0.00004 11 12 13 14 15 O O O O O Eigenvalues -- -10.20898 -10.20331 -10.20265 -1.03938 -1.03694 1 1 C 1S 0.00022 0.00022 0.00018 -0.02111 0.00442 2 2S -0.00026 -0.00002 -0.00007 0.04152 -0.00759 3 2PX -0.00003 -0.00010 -0.00011 0.01458 -0.00372 4 2PY -0.00002 -0.00004 0.00001 -0.01505 0.01485 5 2PZ -0.00001 -0.00004 0.00001 -0.01377 0.00387 6 3S 0.00560 0.00001 0.00049 0.00150 0.03529 7 3PX 0.00162 0.00022 -0.00001 -0.01128 0.00508 8 3PY 0.00279 0.00027 0.00063 -0.02270 0.02257 9 3PZ -0.00106 -0.00006 -0.00001 0.00807 -0.00252 10 4XX -0.00005 -0.00009 -0.00012 0.00068 -0.00037 11 4YY 0.00002 -0.00006 -0.00006 0.00312 -0.00084 12 4ZZ -0.00008 -0.00007 -0.00007 0.00041 -0.00031 13 4XY -0.00002 -0.00001 0.00002 -0.00314 0.00193 14 4XZ -0.00004 0.00001 0.00000 -0.00278 0.00130 15 4YZ 0.00001 0.00001 0.00004 0.00305 -0.00179 16 2 C 1S 0.00040 0.00001 -0.00003 -0.11191 0.05014 17 2S 0.00027 -0.00007 -0.00036 0.21468 -0.09467 18 2PX -0.00010 -0.00009 -0.00017 -0.01607 0.00764 19 2PY -0.00001 -0.00008 -0.00016 -0.15836 0.07840 20 2PZ 0.00002 -0.00009 -0.00013 -0.00364 0.00187 21 3S -0.00546 0.00083 0.00192 0.07325 -0.02723 22 3PX -0.00164 0.00004 0.00050 0.00777 -0.00341 23 3PY -0.00337 -0.00099 -0.00012 0.06094 -0.04039 24 3PZ 0.00061 0.00029 0.00058 0.00109 -0.00190 25 4XX -0.00002 -0.00007 -0.00019 -0.01723 0.00828 26 4YY -0.00004 -0.00009 -0.00024 0.01884 -0.00749 27 4ZZ 0.00007 -0.00005 -0.00020 -0.01802 0.00860 28 4XY -0.00002 -0.00002 -0.00002 0.00413 -0.00186 29 4XZ -0.00001 -0.00002 -0.00005 -0.00065 0.00010 30 4YZ -0.00004 -0.00002 -0.00001 0.00126 -0.00053 31 3 C 1S -0.15743 0.00064 0.00034 -0.02011 0.00471 32 2S -0.00912 -0.00021 -0.00019 0.04026 -0.00892 33 2PX -0.00004 -0.00002 0.00002 -0.01730 0.00557 34 2PY -0.00015 -0.00010 0.00002 -0.01384 0.01336 35 2PZ -0.00017 -0.00018 -0.00019 0.01158 -0.00342 36 3S 0.01733 0.00057 0.00060 -0.00548 0.02966 37 3PX -0.00175 -0.00006 -0.00015 0.00655 0.00059 38 3PY 0.00500 0.00038 0.00071 -0.01777 0.02008 39 3PZ 0.00385 0.00071 0.00088 -0.01024 0.00398 40 4XX 0.00119 -0.00014 -0.00014 0.00164 -0.00094 41 4YY 0.00085 -0.00014 -0.00013 0.00249 -0.00015 42 4ZZ 0.00109 -0.00012 -0.00009 0.00061 -0.00018 43 4XY 0.00003 0.00002 0.00004 0.00406 -0.00207 44 4XZ -0.00005 0.00005 0.00002 -0.00269 0.00134 45 4YZ 0.00011 -0.00003 0.00004 -0.00221 0.00138 46 4 C 1S 0.98080 0.00087 -0.00023 -0.01219 -0.01683 47 2S 0.05079 -0.00022 0.00012 0.02485 0.03330 48 2PX 0.00019 0.00000 -0.00003 -0.00933 -0.01433 49 2PY -0.00020 0.00009 0.00005 0.00248 0.02025 50 2PZ 0.00051 -0.00021 0.00015 0.00668 0.01029 51 3S -0.03095 0.00051 -0.00038 0.01448 -0.02599 52 3PX 0.00233 -0.00014 0.00018 0.00592 0.00550 53 3PY 0.00357 -0.00045 0.00065 0.00038 0.02662 54 3PZ -0.00592 0.00080 -0.00069 -0.00535 -0.01008 55 4XX -0.00869 -0.00017 0.00010 0.00042 0.00127 56 4YY -0.00837 -0.00016 0.00009 0.00200 0.00222 57 4ZZ -0.00842 -0.00014 0.00006 0.00037 0.00052 58 4XY -0.00002 -0.00003 0.00003 -0.00166 -0.00418 59 4XZ -0.00008 0.00005 -0.00001 -0.00111 -0.00262 60 4YZ -0.00001 0.00002 0.00005 0.00086 0.00269 61 5 C 1S -0.00237 0.00000 0.00003 -0.05224 -0.11103 62 2S -0.00082 -0.00015 0.00034 0.10118 0.21182 63 2PX 0.00000 -0.00012 0.00014 -0.00279 -0.00588 64 2PY 0.00004 0.00012 -0.00015 0.06931 0.16303 65 2PZ 0.00014 -0.00012 0.00011 -0.00150 -0.00371 66 3S 0.00876 0.00131 -0.00182 0.03829 0.06875 67 3PX 0.00373 0.00022 -0.00052 0.00234 0.00309 68 3PY -0.00708 0.00092 0.00006 -0.02045 -0.07089 69 3PZ -0.00208 0.00043 -0.00049 -0.00051 0.00226 70 4XX -0.00021 -0.00011 0.00017 -0.00783 -0.01781 71 4YY -0.00024 -0.00015 0.00022 0.00955 0.01823 72 4ZZ -0.00034 -0.00010 0.00019 -0.00806 -0.01825 73 4XY 0.00007 0.00002 -0.00001 -0.00065 -0.00146 74 4XZ 0.00013 -0.00003 0.00004 -0.00047 -0.00060 75 4YZ -0.00015 0.00003 -0.00001 -0.00058 -0.00117 76 6 C 1S 0.00024 0.00026 -0.00012 -0.01312 -0.01727 77 2S 0.00014 -0.00003 0.00006 0.02658 0.03313 78 2PX -0.00010 -0.00012 0.00009 0.00874 0.01369 79 2PY -0.00006 0.00004 0.00001 0.00124 0.02021 80 2PZ 0.00009 -0.00003 -0.00002 -0.00793 -0.01203 81 3S -0.00510 0.00002 -0.00048 0.02371 -0.02574 82 3PX -0.00149 0.00014 0.00010 -0.00519 -0.00918 83 3PY 0.00373 -0.00039 0.00056 0.00308 0.03265 84 3PZ 0.00111 -0.00003 0.00000 0.00465 0.00711 85 4XX -0.00001 -0.00011 0.00010 0.00041 0.00112 86 4YY 0.00001 -0.00007 0.00005 0.00167 0.00226 87 4ZZ -0.00001 -0.00008 0.00005 0.00012 0.00052 88 4XY 0.00000 0.00000 0.00002 0.00122 0.00361 89 4XZ 0.00001 0.00001 0.00000 -0.00133 -0.00303 90 4YZ -0.00004 -0.00002 0.00003 -0.00107 -0.00316 91 7 H 1S 0.00008 0.00006 0.00003 0.00726 -0.00268 92 2S 0.00069 0.00006 0.00007 -0.00745 0.00089 93 8 H 1S -0.00012 0.00006 0.00006 0.00722 -0.00275 94 2S 0.00060 0.00034 0.00059 -0.00363 0.00011 95 9 H 1S -0.00005 0.00008 -0.00005 0.00366 0.00681 96 2S 0.00130 0.00043 -0.00051 -0.00286 -0.00265 97 10 H 1S -0.00018 0.00006 -0.00002 0.00376 0.00683 98 2S -0.00073 0.00006 -0.00005 -0.00515 -0.00553 99 11 O 1S 0.00000 0.00006 0.00004 -0.17436 0.08204 100 2S 0.00003 0.00027 0.00020 0.37299 -0.17314 101 2PX -0.00003 0.00002 0.00004 0.01465 -0.00682 102 2PY -0.00001 0.00004 0.00006 0.14591 -0.06802 103 2PZ 0.00001 0.00002 0.00004 0.00455 -0.00213 104 3S -0.00063 -0.00160 -0.00109 0.38288 -0.19232 105 3PX 0.00030 -0.00014 -0.00027 0.00567 -0.00330 106 3PY 0.00012 -0.00044 -0.00032 0.05773 -0.03050 107 3PZ -0.00014 -0.00013 -0.00024 0.00193 -0.00081 108 4XX -0.00002 0.00017 0.00012 -0.00999 0.00561 109 4YY 0.00007 0.00015 0.00015 0.00807 -0.00338 110 4ZZ -0.00002 0.00018 0.00013 -0.00945 0.00534 111 4XY 0.00005 -0.00003 -0.00005 0.00199 -0.00103 112 4XZ -0.00001 -0.00001 -0.00002 0.00227 -0.00114 113 4YZ -0.00002 -0.00003 -0.00005 0.00043 -0.00019 114 12 O 1S -0.00014 0.00007 -0.00003 -0.07882 -0.17576 115 2S -0.00066 0.00031 -0.00016 0.17010 0.37412 116 2PX 0.00003 0.00003 -0.00004 0.00240 0.00528 117 2PY 0.00003 -0.00005 0.00005 -0.06661 -0.14718 118 2PZ 0.00000 0.00003 -0.00003 0.00202 0.00447 119 3S 0.00414 -0.00178 0.00085 0.16539 0.39548 120 3PX -0.00047 -0.00016 0.00023 0.00061 0.00228 121 3PY -0.00085 0.00051 -0.00027 -0.02404 -0.06106 122 3PZ 0.00032 -0.00019 0.00020 0.00095 0.00180 123 4XX -0.00037 0.00020 -0.00010 -0.00399 -0.01093 124 4YY -0.00028 0.00018 -0.00012 0.00396 0.00797 125 4ZZ -0.00042 0.00020 -0.00010 -0.00370 -0.01024 126 4XY 0.00004 0.00004 -0.00005 -0.00025 -0.00068 127 4XZ -0.00006 -0.00001 0.00001 0.00096 0.00230 128 4YZ -0.00005 0.00004 -0.00004 -0.00026 -0.00055 129 13 C 1S 0.00040 0.00045 0.00004 -0.00163 -0.00061 130 2S -0.00007 -0.00027 -0.00003 0.00244 0.00094 131 2PX 0.00012 -0.00004 0.00000 -0.00138 -0.00051 132 2PY -0.00019 -0.00002 0.00017 -0.00001 0.00019 133 2PZ 0.00000 -0.00009 -0.00001 0.00029 0.00010 134 3S -0.00057 0.00072 0.00011 0.00161 0.00041 135 3PX -0.00015 -0.00018 -0.00001 0.00270 0.00119 136 3PY -0.00021 -0.00004 0.00043 -0.00096 0.00229 137 3PZ -0.00052 0.00093 0.00012 -0.00039 -0.00013 138 4XX -0.00001 0.00000 0.00000 -0.00024 -0.00009 139 4YY -0.00002 -0.00005 -0.00001 0.00010 0.00004 140 4ZZ -0.00006 0.00006 0.00001 -0.00025 -0.00009 141 4XY 0.00002 0.00000 -0.00001 0.00005 -0.00011 142 4XZ 0.00006 -0.00011 -0.00001 0.00001 0.00001 143 4YZ -0.00001 0.00000 0.00002 -0.00002 0.00007 144 14 H 1S 0.00003 -0.00014 -0.00002 0.00019 0.00007 145 2S 0.00037 -0.00010 -0.00001 -0.00121 -0.00047 146 15 H 1S 0.00000 0.00002 0.00000 0.00079 0.00030 147 2S -0.00029 0.00051 0.00006 -0.00094 -0.00031 148 16 C 1S 0.00019 -0.00469 -0.00565 -0.00410 0.00075 149 2S 0.00055 -0.00023 -0.00035 0.00484 0.00000 150 2PX 0.00015 -0.00004 -0.00009 -0.00256 0.00093 151 2PY 0.00000 0.00000 -0.00009 0.00031 0.00069 152 2PZ 0.00012 -0.00013 0.00001 -0.00042 0.00010 153 3S -0.00255 0.00117 0.00539 0.01435 -0.00803 154 3PX 0.00092 -0.00014 -0.00013 -0.00640 0.00407 155 3PY -0.00115 -0.00014 0.00181 0.00667 -0.00316 156 3PZ -0.00018 0.00084 0.00175 0.00518 -0.00317 157 4XX -0.00004 0.00001 -0.00001 0.00005 -0.00009 158 4YY 0.00001 0.00009 -0.00008 -0.00036 0.00019 159 4ZZ 0.00004 -0.00009 -0.00025 -0.00046 0.00010 160 4XY 0.00010 -0.00002 0.00006 -0.00012 0.00008 161 4XZ -0.00006 0.00004 0.00007 0.00000 -0.00014 162 4YZ 0.00001 -0.00002 -0.00008 0.00020 -0.00014 163 17 H 1S 0.00003 -0.00006 -0.00001 0.00180 -0.00047 164 2S -0.00023 -0.00004 0.00025 0.00463 -0.00175 165 18 C 1S -0.00024 0.62654 0.77023 -0.00227 -0.00032 166 2S 0.00012 0.03106 0.03921 0.00610 -0.00128 167 2PX 0.00005 -0.00011 -0.00009 -0.00081 0.00012 168 2PY -0.00007 -0.00015 0.00027 0.00067 0.00118 169 2PZ -0.00002 -0.00029 -0.00043 -0.00188 0.00003 170 3S -0.00025 -0.00524 -0.02005 -0.01199 0.01895 171 3PX -0.00002 0.00001 -0.00085 -0.00115 0.00133 172 3PY -0.00069 0.00086 -0.00458 -0.00367 0.00701 173 3PZ -0.00023 0.00083 0.00409 0.00564 -0.00564 174 4XX 0.00001 -0.00599 -0.00704 0.00028 -0.00033 175 4YY 0.00000 -0.00599 -0.00670 0.00003 0.00031 176 4ZZ -0.00002 -0.00592 -0.00694 0.00014 -0.00015 177 4XY 0.00001 0.00002 0.00010 0.00002 -0.00008 178 4XZ -0.00001 -0.00005 -0.00010 -0.00001 0.00002 179 4YZ 0.00007 -0.00010 -0.00004 -0.00003 -0.00007 180 19 H 1S 0.00001 -0.00032 -0.00035 0.00076 -0.00003 181 2S -0.00011 0.00111 0.00035 -0.00016 0.00083 182 20 C 1S -0.00051 -0.00583 0.00465 -0.00252 -0.00314 183 2S -0.00130 -0.00032 0.00031 0.00362 0.00302 184 2PX -0.00012 -0.00005 0.00007 -0.00129 -0.00221 185 2PY 0.00015 0.00003 -0.00010 -0.00062 0.00041 186 2PZ -0.00020 -0.00013 -0.00003 -0.00026 -0.00030 187 3S 0.00600 0.00236 -0.00513 0.00485 0.01524 188 3PX -0.00231 -0.00023 0.00026 -0.00216 -0.00758 189 3PY -0.00196 -0.00028 0.00184 -0.00241 -0.00622 190 3PZ -0.00021 0.00120 -0.00155 0.00171 0.00563 191 4XX 0.00002 0.00001 0.00002 -0.00002 0.00008 192 4YY -0.00033 0.00007 0.00010 -0.00014 -0.00040 193 4ZZ -0.00023 -0.00014 0.00023 -0.00027 -0.00039 194 4XY 0.00015 0.00001 0.00007 0.00002 0.00011 195 4XZ 0.00019 0.00006 -0.00007 -0.00010 0.00006 196 4YZ 0.00005 0.00004 -0.00007 -0.00005 -0.00025 197 21 H 1S -0.00013 -0.00006 -0.00001 0.00102 0.00148 198 2S 0.00033 0.00003 -0.00027 0.00222 0.00433 199 22 C 1S -0.00093 0.76992 -0.62692 -0.00192 -0.00124 200 2S -0.00041 0.03838 -0.03209 0.00363 0.00490 201 2PX -0.00005 -0.00011 0.00009 -0.00061 -0.00058 202 2PY 0.00004 0.00010 0.00029 -0.00125 0.00044 203 2PZ 0.00027 -0.00038 0.00037 -0.00136 -0.00125 204 3S -0.00011 -0.00928 0.01860 0.00434 -0.02169 205 3PX -0.00004 -0.00017 0.00050 -0.00015 -0.00126 206 3PY -0.00110 0.00011 -0.00471 -0.00220 0.00781 207 3PZ 0.00008 0.00167 -0.00388 0.00006 0.00790 208 4XX -0.00014 -0.00730 0.00569 -0.00003 0.00042 209 4YY -0.00014 -0.00723 0.00533 0.00021 -0.00020 210 4ZZ -0.00014 -0.00720 0.00560 -0.00001 0.00020 211 4XY 0.00009 -0.00003 0.00006 0.00006 -0.00013 212 4XZ 0.00007 -0.00007 0.00009 0.00001 -0.00002 213 4YZ 0.00000 0.00011 -0.00002 0.00008 -0.00003 214 23 H 1S 0.00011 -0.00039 0.00028 0.00054 0.00049 215 2S 0.00027 0.00115 -0.00010 0.00059 -0.00083 16 17 18 19 20 O O O O O Eigenvalues -- -0.88445 -0.82940 -0.76784 -0.72667 -0.72445 1 1 C 1S -0.01793 -0.11706 0.09398 -0.02586 -0.01977 2 2S 0.03387 0.22621 -0.18457 0.05191 0.03868 3 2PX 0.00934 0.02840 0.01126 -0.01303 0.01375 4 2PY 0.01114 0.07026 -0.06204 0.02117 -0.02013 5 2PZ -0.00559 -0.02293 -0.01142 0.00759 -0.01017 6 3S 0.02073 0.15301 -0.14478 0.04090 0.04875 7 3PX 0.00148 0.00095 0.00601 -0.00507 0.00383 8 3PY 0.00167 0.00369 0.00187 -0.00125 0.01251 9 3PZ 0.00000 -0.00074 -0.00544 0.00230 0.00005 10 4XX -0.00017 -0.00514 0.00567 -0.00234 0.00111 11 4YY 0.00025 0.00428 -0.00538 0.00193 -0.00201 12 4ZZ -0.00110 -0.00695 0.00659 -0.00192 -0.00013 13 4XY 0.00037 0.00177 -0.00172 0.00056 -0.00109 14 4XZ -0.00124 -0.00688 0.00290 -0.00066 -0.00250 15 4YZ -0.00027 -0.00108 0.00102 -0.00046 0.00063 16 2 C 1S -0.01163 -0.04722 -0.01075 0.01016 -0.03463 17 2S 0.02329 0.09176 0.02281 -0.02179 0.07341 18 2PX 0.01714 -0.00557 0.07841 -0.02862 0.03425 19 2PY 0.04290 0.12147 0.01697 -0.01725 0.06339 20 2PZ -0.00280 0.01352 -0.06415 0.01651 -0.00735 21 3S 0.01174 0.06520 0.01473 -0.01035 0.04633 22 3PX -0.00059 0.00234 0.00509 -0.00110 -0.00529 23 3PY 0.00828 0.03450 -0.00247 0.00058 -0.00055 24 3PZ 0.00103 0.00200 -0.00607 -0.00142 0.00544 25 4XX 0.00259 0.00271 0.00091 -0.00022 0.00314 26 4YY -0.00236 -0.00521 -0.00179 0.00132 -0.00633 27 4ZZ 0.00106 0.00083 -0.00024 0.00005 0.00078 28 4XY 0.00069 -0.00274 0.00699 -0.00197 -0.00020 29 4XZ -0.00201 -0.00712 -0.00145 0.00004 -0.00359 30 4YZ -0.00040 0.00164 -0.00600 0.00148 -0.00033 31 3 C 1S -0.04857 -0.06680 -0.11687 0.02770 -0.04848 32 2S 0.09079 0.12573 0.22433 -0.05397 0.08807 33 2PX 0.00868 -0.03643 -0.00721 0.02491 -0.00416 34 2PY 0.02256 0.03412 0.05636 -0.00999 -0.05716 35 2PZ 0.01508 0.01480 -0.01252 -0.00870 0.01968 36 3S 0.06432 0.09175 0.19393 -0.05241 0.12386 37 3PX 0.00188 -0.00220 0.00277 0.01120 -0.00259 38 3PY 0.00169 0.00568 0.00506 0.00014 -0.00255 39 3PZ 0.00312 0.00313 -0.00157 -0.00577 0.02010 40 4XX -0.00141 -0.00303 -0.00731 0.00338 0.00085 41 4YY 0.00069 0.00127 0.00466 -0.00110 -0.00670 42 4ZZ -0.00120 -0.00298 -0.00458 -0.00013 0.00114 43 4XY 0.00020 -0.00039 0.00037 -0.00013 0.00012 44 4XZ -0.00029 -0.00476 -0.00365 0.00169 -0.00164 45 4YZ 0.00097 0.00104 0.00195 -0.00007 -0.00055 46 4 C 1S -0.04776 -0.06670 -0.11530 0.02445 0.05494 47 2S 0.08940 0.12561 0.22153 -0.04811 -0.10079 48 2PX 0.00693 -0.03796 -0.01017 0.02469 0.00550 49 2PY -0.02343 -0.03198 -0.05738 0.01203 -0.05384 50 2PZ 0.01489 0.01551 -0.01187 -0.00756 -0.01867 51 3S 0.06292 0.09057 0.18908 -0.04350 -0.13494 52 3PX 0.00195 -0.00240 0.00282 0.01059 0.00357 53 3PY -0.00227 -0.00529 -0.00520 -0.00087 -0.00213 54 3PZ 0.00289 0.00276 -0.00242 -0.00413 -0.02031 55 4XX -0.00154 -0.00304 -0.00743 0.00336 -0.00007 56 4YY 0.00084 0.00122 0.00486 -0.00151 0.00632 57 4ZZ -0.00124 -0.00298 -0.00467 -0.00004 -0.00082 58 4XY -0.00012 0.00061 0.00032 -0.00019 0.00066 59 4XZ -0.00049 -0.00488 -0.00391 0.00158 0.00223 60 4YZ -0.00102 -0.00083 -0.00188 0.00005 -0.00060 61 5 C 1S -0.01143 -0.04688 -0.01038 0.00787 0.03655 62 2S 0.02285 0.09106 0.02201 -0.01691 -0.07747 63 2PX 0.01405 -0.01313 0.07570 -0.02513 -0.03435 64 2PY -0.04353 -0.12057 -0.02109 0.01472 0.06935 65 2PZ -0.00272 0.01341 -0.06374 0.01597 0.01145 66 3S 0.01159 0.06469 0.01462 -0.00749 -0.04836 67 3PX -0.00081 0.00014 0.00540 -0.00159 0.00506 68 3PY -0.00833 -0.03447 0.00172 -0.00017 -0.00054 69 3PZ 0.00076 0.00202 -0.00611 -0.00100 -0.00503 70 4XX 0.00245 0.00293 0.00000 0.00023 -0.00304 71 4YY -0.00224 -0.00545 -0.00086 0.00067 0.00646 72 4ZZ 0.00107 0.00088 -0.00030 0.00011 -0.00079 73 4XY -0.00104 0.00209 -0.00708 0.00202 0.00088 74 4XZ -0.00195 -0.00720 -0.00099 -0.00029 0.00369 75 4YZ 0.00052 -0.00118 0.00606 -0.00144 -0.00091 76 6 C 1S -0.01786 -0.11682 0.09397 -0.02698 0.01567 77 2S 0.03373 0.22575 -0.18458 0.05410 -0.03048 78 2PX 0.00852 0.02370 0.01500 -0.01328 -0.01706 79 2PY -0.01181 -0.07232 0.06124 -0.01899 -0.02210 80 2PZ -0.00549 -0.02249 -0.01166 0.00699 0.01201 81 3S 0.02058 0.15281 -0.14528 0.04405 -0.04204 82 3PX 0.00145 0.00073 0.00579 -0.00469 -0.00378 83 3PY -0.00147 -0.00393 -0.00174 0.00049 0.01294 84 3PZ -0.00008 -0.00077 -0.00546 0.00227 0.00051 85 4XX -0.00022 -0.00531 0.00578 -0.00229 -0.00152 86 4YY 0.00030 0.00448 -0.00551 0.00184 0.00242 87 4ZZ -0.00110 -0.00694 0.00660 -0.00193 -0.00021 88 4XY -0.00034 -0.00112 0.00091 -0.00020 -0.00090 89 4XZ -0.00121 -0.00677 0.00284 -0.00079 0.00249 90 4YZ 0.00034 0.00146 -0.00114 0.00045 0.00052 91 7 H 1S 0.00540 0.04745 -0.05328 0.01801 0.01198 92 2S -0.00009 0.00231 -0.00683 0.00333 0.00350 93 8 H 1S 0.02068 0.02604 0.06759 -0.01003 0.03634 94 2S 0.00186 0.00188 0.01161 -0.00103 0.01320 95 9 H 1S 0.02032 0.02579 0.06630 -0.00760 -0.03978 96 2S 0.00192 0.00166 0.01103 0.00004 -0.01403 97 10 H 1S 0.00537 0.04733 -0.05324 0.01867 -0.00899 98 2S -0.00011 0.00234 -0.00685 0.00357 -0.00295 99 11 O 1S 0.01876 0.04157 0.00705 -0.00604 0.02790 100 2S -0.04267 -0.09519 -0.01468 0.01346 -0.06180 101 2PX 0.00179 -0.00481 0.01761 -0.00711 0.01009 102 2PY -0.00942 -0.01134 -0.00122 -0.00077 0.00390 103 2PZ -0.00087 0.00167 -0.01519 0.00377 -0.00215 104 3S -0.03644 -0.08267 -0.02229 0.01678 -0.07932 105 3PX 0.00161 -0.00128 0.00679 -0.00350 0.00679 106 3PY -0.00082 0.00304 -0.00095 -0.00108 0.00262 107 3PZ -0.00029 0.00026 -0.00608 0.00187 -0.00168 108 4XX 0.00040 0.00005 0.00092 -0.00026 0.00142 109 4YY -0.00037 0.00078 0.00054 -0.00055 0.00240 110 4ZZ 0.00017 0.00009 0.00045 -0.00009 0.00074 111 4XY 0.00042 -0.00044 0.00218 -0.00094 0.00146 112 4XZ -0.00012 -0.00039 -0.00027 0.00001 -0.00040 113 4YZ -0.00007 0.00023 -0.00188 0.00048 -0.00023 114 12 O 1S 0.01861 0.04155 0.00649 -0.00417 -0.02897 115 2S -0.04237 -0.09511 -0.01346 0.00935 0.06421 116 2PX 0.00231 -0.00405 0.01715 -0.00630 -0.01073 117 2PY 0.00930 0.01183 0.00007 0.00091 0.00459 118 2PZ -0.00084 0.00168 -0.01500 0.00359 0.00317 119 3S -0.03593 -0.08255 -0.02061 0.01134 0.08190 120 3PX 0.00159 -0.00145 0.00654 -0.00291 -0.00704 121 3PY 0.00068 -0.00285 0.00048 0.00112 0.00330 122 3PZ -0.00025 0.00025 -0.00598 0.00172 0.00211 123 4XX 0.00033 0.00010 0.00063 -0.00007 -0.00126 124 4YY -0.00034 0.00070 0.00074 -0.00048 -0.00265 125 4ZZ 0.00015 0.00010 0.00042 -0.00004 -0.00074 126 4XY -0.00046 0.00048 -0.00212 0.00081 0.00150 127 4XZ -0.00011 -0.00040 -0.00014 -0.00005 0.00039 128 4YZ 0.00007 -0.00020 0.00187 -0.00046 -0.00038 129 13 C 1S -0.08820 0.03260 -0.00338 -0.14331 -0.00447 130 2S 0.16634 -0.06051 0.00828 0.27928 0.00868 131 2PX -0.04702 0.00935 -0.00799 0.00308 -0.00344 132 2PY 0.00167 -0.00075 -0.00141 0.00359 -0.09680 133 2PZ 0.04196 -0.01959 -0.02213 -0.00897 -0.00035 134 3S 0.09970 -0.05165 -0.00073 0.26673 0.00855 135 3PX 0.00393 0.00079 -0.00234 0.00168 -0.00045 136 3PY -0.00024 -0.00001 -0.00014 0.00066 -0.01765 137 3PZ 0.00397 -0.00512 -0.00797 -0.00639 0.00002 138 4XX 0.00054 0.00037 0.00096 0.00002 0.00058 139 4YY -0.00133 0.00067 -0.00003 -0.00443 -0.00065 140 4ZZ 0.00079 -0.00053 -0.00096 -0.00020 -0.00004 141 4XY -0.00006 0.00006 0.00014 -0.00053 0.00861 142 4XZ -0.00498 0.00196 0.00178 0.00120 -0.00024 143 4YZ 0.00018 -0.00010 -0.00019 0.00020 -0.00731 144 14 H 1S 0.03856 -0.01762 -0.00251 0.09424 0.00310 145 2S -0.00095 -0.00138 0.00079 0.02335 0.00071 146 15 H 1S 0.03579 -0.01179 0.01174 0.09871 0.00293 147 2S 0.00353 -0.00066 0.00578 0.02252 0.00067 148 16 C 1S -0.09213 0.02731 0.00314 -0.02949 -0.11673 149 2S 0.16962 -0.05219 -0.00783 0.05912 0.22850 150 2PX 0.00300 -0.01459 -0.01153 0.07412 -0.00962 151 2PY 0.06360 -0.02107 -0.00951 0.02892 -0.01889 152 2PZ 0.02607 -0.01801 -0.04332 -0.08816 0.03250 153 3S 0.13990 -0.03710 0.00280 0.04579 0.21575 154 3PX -0.00400 -0.00042 -0.00310 0.01390 -0.00349 155 3PY 0.02716 -0.00497 0.00022 -0.00114 0.00234 156 3PZ 0.00361 -0.00246 -0.00832 -0.01573 0.00478 157 4XX -0.00626 0.00322 0.00265 0.00057 -0.00639 158 4YY 0.00453 -0.00193 -0.00055 0.00582 -0.00123 159 4ZZ -0.00159 0.00010 -0.00195 -0.00728 -0.00134 160 4XY 0.00134 -0.00158 -0.00076 0.00756 -0.00104 161 4XZ -0.00381 0.00222 0.00285 -0.00099 -0.00336 162 4YZ 0.00303 -0.00175 -0.00359 -0.00779 0.00351 163 17 H 1S 0.03291 -0.00974 0.00385 0.02143 0.08526 164 2S 0.00696 -0.00243 0.00120 0.00372 0.02340 165 18 C 1S -0.09199 0.03513 0.05045 0.10322 -0.06290 166 2S 0.17509 -0.06627 -0.09741 -0.20302 0.12529 167 2PX 0.01883 -0.01396 -0.00702 0.02051 0.01164 168 2PY 0.04640 -0.01949 -0.03360 -0.06452 -0.08022 169 2PZ -0.05680 0.01535 -0.00043 -0.02546 -0.05505 170 3S 0.10089 -0.04622 -0.07548 -0.16584 0.08445 171 3PX -0.00117 -0.00131 -0.00106 0.00859 -0.00488 172 3PY 0.00046 -0.00101 -0.00456 -0.00345 -0.02517 173 3PZ 0.00046 0.00250 0.00137 -0.00771 0.00342 174 4XX -0.00802 0.00392 0.00429 0.00954 -0.00391 175 4YY 0.00245 -0.00095 -0.00247 -0.00555 -0.00715 176 4ZZ 0.00182 0.00020 0.00216 0.00508 0.00668 177 4XY 0.00151 -0.00094 -0.00116 -0.00157 -0.00042 178 4XZ -0.00505 0.00263 0.00251 0.00089 -0.00483 179 4YZ -0.00246 0.00089 0.00165 0.00305 0.00318 180 19 H 1S 0.03020 -0.01230 -0.02601 -0.06709 0.04504 181 2S -0.00237 -0.00033 -0.00630 -0.01413 0.00639 182 20 C 1S -0.09173 0.02859 0.00784 -0.03775 0.11401 183 2S 0.16923 -0.05466 -0.01684 0.07532 -0.22330 184 2PX -0.00157 -0.01208 -0.00905 0.07099 0.01328 185 2PY -0.06407 0.02227 0.01011 -0.03276 -0.02120 186 2PZ 0.02607 -0.01786 -0.04355 -0.08684 -0.03731 187 3S 0.13865 -0.03879 -0.00542 0.06043 -0.21119 188 3PX -0.00554 -0.00010 -0.00273 0.01354 0.00446 189 3PY -0.02642 0.00492 0.00039 0.00035 0.00245 190 3PZ 0.00348 -0.00240 -0.00839 -0.01562 -0.00569 191 4XX -0.00657 0.00338 0.00278 -0.00089 0.00641 192 4YY 0.00474 -0.00207 -0.00053 0.00662 0.00175 193 4ZZ -0.00160 0.00011 -0.00189 -0.00729 0.00091 194 4XY -0.00044 0.00109 0.00036 -0.00697 -0.00177 195 4XZ -0.00421 0.00234 0.00307 -0.00067 0.00369 196 4YZ -0.00274 0.00160 0.00347 0.00766 0.00379 197 21 H 1S 0.03258 -0.01029 0.00103 0.02740 -0.08331 198 2S 0.00677 -0.00242 0.00053 0.00522 -0.02312 199 22 C 1S -0.09195 0.03570 0.05257 0.09874 0.06857 200 2S 0.17507 -0.06743 -0.10168 -0.19425 -0.13652 201 2PX 0.01559 -0.01257 -0.00511 0.02639 -0.01628 202 2PY -0.04757 0.01981 0.03164 0.06814 -0.07533 203 2PZ -0.05692 0.01604 0.00186 -0.02893 0.05312 204 3S 0.10090 -0.04685 -0.07734 -0.15892 -0.09338 205 3PX -0.00125 -0.00121 -0.00055 0.00863 0.00357 206 3PY -0.00034 0.00098 0.00360 0.00419 -0.02516 207 3PZ 0.00047 0.00240 0.00084 -0.00799 -0.00407 208 4XX -0.00814 0.00403 0.00453 0.00936 0.00438 209 4YY 0.00255 -0.00097 -0.00232 -0.00613 0.00684 210 4ZZ 0.00178 0.00014 0.00191 0.00552 -0.00629 211 4XY -0.00055 0.00050 0.00054 0.00026 -0.00017 212 4XZ -0.00490 0.00261 0.00256 0.00034 0.00507 213 4YZ 0.00285 -0.00105 -0.00171 -0.00335 0.00265 214 23 H 1S 0.03013 -0.01263 -0.02725 -0.06392 -0.04864 215 2S -0.00242 -0.00031 -0.00619 -0.01349 -0.00710 21 22 23 24 25 O O O O O Eigenvalues -- -0.67938 -0.62159 -0.58429 -0.57773 -0.54852 1 1 C 1S -0.07154 0.07944 0.03697 0.01512 0.01760 2 2S 0.14314 -0.16128 -0.07581 -0.02988 -0.03647 3 2PX 0.03386 0.00412 0.12379 0.06382 0.01542 4 2PY -0.09569 0.11695 -0.09126 -0.04694 0.02821 5 2PZ -0.03187 -0.00056 -0.10797 -0.05154 -0.00843 6 3S 0.14037 -0.15443 -0.06912 -0.03273 -0.03723 7 3PX 0.00170 0.00195 0.03940 0.01999 0.00337 8 3PY -0.01220 0.05579 -0.01783 -0.00640 0.01633 9 3PZ -0.00209 -0.00010 -0.03424 -0.01734 -0.00039 10 4XX 0.00182 0.00020 0.00431 0.00254 0.00052 11 4YY -0.00667 0.00489 -0.00427 -0.00199 0.00076 12 4ZZ -0.00020 0.00195 0.00413 0.00168 0.00054 13 4XY -0.00233 -0.00131 -0.00322 -0.00168 -0.00181 14 4XZ -0.00834 0.00623 -0.00179 -0.00121 0.00139 15 4YZ 0.00204 0.00108 0.00262 0.00120 0.00114 16 2 C 1S -0.08581 -0.00069 -0.07450 -0.03987 -0.01233 17 2S 0.18048 0.00212 0.16212 0.08842 0.02566 18 2PX -0.00473 0.15325 -0.00442 0.01298 0.04087 19 2PY 0.13915 -0.00939 0.09076 0.04297 0.00909 20 2PZ 0.01312 -0.13101 0.00654 0.01951 -0.02421 21 3S 0.15277 -0.00240 0.13461 0.06889 0.03249 22 3PX 0.00260 0.01304 0.00463 0.00133 0.00997 23 3PY 0.03127 -0.00279 0.03890 0.00828 0.00363 24 3PZ 0.00249 -0.01450 -0.00019 0.01118 0.00063 25 4XX 0.00271 0.00013 -0.00447 -0.00054 -0.00127 26 4YY -0.01204 -0.00022 -0.00666 -0.00463 -0.00080 27 4ZZ 0.00027 -0.00047 -0.00446 -0.00315 -0.00082 28 4XY -0.00178 0.00485 -0.00005 -0.00140 0.00091 29 4XZ -0.00921 -0.00001 -0.00109 0.00016 0.00092 30 4YZ 0.00087 -0.00391 -0.00003 0.00084 -0.00068 31 3 C 1S -0.05596 -0.08188 0.02810 0.03170 -0.00675 32 2S 0.11090 0.16403 -0.05558 -0.06669 0.01618 33 2PX -0.05747 -0.02168 -0.11808 -0.03601 -0.03682 34 2PY -0.05953 -0.10332 -0.04729 -0.06999 -0.00735 35 2PZ 0.02063 -0.01627 0.08799 0.09264 0.01587 36 3S 0.11216 0.17570 -0.06761 -0.05628 0.01104 37 3PX -0.00621 -0.00896 -0.03736 -0.01670 -0.01962 38 3PY -0.00086 -0.04425 -0.00606 -0.02002 -0.00172 39 3PZ -0.00148 -0.00524 0.02569 0.03690 0.00163 40 4XX 0.00108 -0.00240 0.00599 0.00575 -0.00176 41 4YY -0.00711 -0.00695 -0.00372 -0.00360 -0.00040 42 4ZZ 0.00099 0.00145 -0.00105 0.00107 0.00071 43 4XY 0.00393 0.00208 0.00144 0.00022 0.00327 44 4XZ -0.00698 -0.00444 -0.00472 0.00070 -0.00181 45 4YZ -0.00013 0.00310 -0.00211 -0.00264 -0.00126 46 4 C 1S 0.05547 0.08196 0.03022 0.03055 0.00580 47 2S -0.10985 -0.16412 -0.05982 -0.06426 -0.01410 48 2PX 0.05289 0.01726 -0.11323 -0.03436 0.03630 49 2PY -0.06377 -0.10466 0.05143 0.07409 -0.01241 50 2PZ -0.02137 0.01539 0.08840 0.09108 -0.01799 51 3S -0.11089 -0.17533 -0.07261 -0.05285 -0.00913 52 3PX 0.00582 0.00673 -0.03622 -0.01600 0.01939 53 3PY -0.00118 -0.04416 0.00727 0.02162 -0.00356 54 3PZ 0.00117 0.00499 0.02556 0.03610 -0.00240 55 4XX -0.00067 0.00266 0.00589 0.00555 0.00175 56 4YY 0.00674 0.00677 -0.00334 -0.00364 0.00021 57 4ZZ -0.00102 -0.00136 -0.00097 0.00109 -0.00067 58 4XY 0.00448 0.00238 -0.00188 -0.00101 0.00318 59 4XZ 0.00691 0.00486 -0.00421 0.00066 0.00169 60 4YZ -0.00063 0.00272 0.00254 0.00258 -0.00144 61 5 C 1S 0.08538 0.00232 -0.07346 -0.04069 0.01399 62 2S -0.17954 -0.00566 0.15985 0.09024 -0.02948 63 2PX 0.01366 -0.15271 -0.01534 0.01169 -0.03852 64 2PY 0.13837 0.00273 -0.08964 -0.04507 0.01327 65 2PZ -0.01313 0.13146 0.01087 0.01709 0.02336 66 3S -0.15167 -0.00022 0.13200 0.06994 -0.03498 67 3PX -0.00029 -0.01293 0.00121 0.00065 -0.00924 68 3PY 0.03117 -0.00150 -0.03862 -0.00851 0.00480 69 3PZ -0.00252 0.01441 0.00045 0.01073 -0.00062 70 4XX -0.00279 0.00057 -0.00442 -0.00045 0.00142 71 4YY 0.01214 -0.00018 -0.00656 -0.00485 0.00089 72 4ZZ -0.00033 0.00055 -0.00438 -0.00312 0.00093 73 4XY -0.00069 0.00490 0.00001 0.00102 0.00081 74 4XZ 0.00923 -0.00022 -0.00109 0.00001 -0.00091 75 4YZ 0.00029 -0.00399 0.00001 -0.00081 -0.00060 76 6 C 1S 0.07223 -0.08066 0.03454 0.01560 -0.01805 77 2S -0.14448 0.16380 -0.07089 -0.03092 0.03736 78 2PX -0.03903 0.00070 0.12840 0.06694 -0.01647 79 2PY -0.09214 0.11444 0.08652 0.04182 0.02654 80 2PZ 0.03177 0.00222 -0.10768 -0.05224 0.01130 81 3S -0.14146 0.15661 -0.06385 -0.03323 0.03786 82 3PX -0.00235 0.00076 0.04049 0.02054 -0.00328 83 3PY -0.01177 0.05541 0.01690 0.00416 0.01580 84 3PZ 0.00205 0.00057 -0.03432 -0.01762 0.00142 85 4XX -0.00198 -0.00049 0.00458 0.00271 -0.00078 86 4YY 0.00686 -0.00460 -0.00470 -0.00216 -0.00048 87 4ZZ 0.00023 -0.00209 0.00409 0.00174 -0.00063 88 4XY -0.00163 -0.00173 0.00242 0.00137 -0.00191 89 4XZ 0.00846 -0.00611 -0.00213 -0.00129 -0.00122 90 4YZ 0.00146 0.00155 -0.00235 -0.00116 0.00128 91 7 H 1S 0.05555 -0.09075 -0.07303 -0.03322 -0.03078 92 2S 0.01347 -0.03285 -0.03489 -0.01630 -0.01588 93 8 H 1S 0.03692 0.08810 -0.06285 -0.05225 -0.00701 94 2S 0.00710 0.03276 -0.03081 -0.02599 -0.00786 95 9 H 1S -0.03638 -0.08745 -0.06552 -0.05080 0.00832 96 2S -0.00697 -0.03250 -0.03193 -0.02542 0.00864 97 10 H 1S -0.05609 0.09227 -0.06957 -0.03406 0.03209 98 2S -0.01369 0.03337 -0.03322 -0.01658 0.01661 99 11 O 1S 0.05448 -0.00111 0.03340 0.02171 0.00482 100 2S -0.12209 0.00287 -0.07690 -0.04833 -0.01026 101 2PX -0.00461 0.05782 -0.00161 0.01159 0.01903 102 2PY 0.02942 -0.00466 0.05517 0.03215 0.01032 103 2PZ 0.00384 -0.05064 0.00286 0.00884 -0.00925 104 3S -0.15342 0.00248 -0.09503 -0.07123 -0.01848 105 3PX -0.00326 0.03039 -0.00185 0.00708 0.00974 106 3PY 0.01770 -0.00240 0.03458 0.01703 0.00486 107 3PZ 0.00143 -0.02676 0.00203 0.00347 -0.00527 108 4XX 0.00083 0.00110 -0.00113 0.00076 0.00014 109 4YY 0.00677 -0.00067 0.00735 0.00446 0.00121 110 4ZZ 0.00079 -0.00019 -0.00094 0.00000 0.00011 111 4XY -0.00021 0.00609 0.00018 0.00119 0.00186 112 4XZ -0.00110 -0.00037 -0.00036 -0.00010 0.00018 113 4YZ 0.00060 -0.00534 0.00051 0.00088 -0.00096 114 12 O 1S -0.05434 0.00051 0.03287 0.02208 -0.00568 115 2S 0.12176 -0.00154 -0.07572 -0.04919 0.01223 116 2PX 0.00654 -0.05723 -0.00733 0.00998 -0.01752 117 2PY 0.02845 -0.00016 -0.05351 -0.03305 0.01323 118 2PZ -0.00389 0.05048 0.00470 0.00766 0.00887 119 3S 0.15282 -0.00067 -0.09318 -0.07228 0.02115 120 3PX 0.00431 -0.03006 -0.00517 0.00628 -0.00898 121 3PY 0.01720 0.00005 -0.03368 -0.01764 0.00651 122 3PZ -0.00143 0.02666 0.00302 0.00283 0.00501 123 4XX -0.00088 -0.00039 -0.00112 0.00064 0.00008 124 4YY -0.00666 -0.00017 0.00720 0.00464 -0.00162 125 4ZZ -0.00079 0.00019 -0.00093 -0.00001 -0.00008 126 4XY -0.00064 0.00612 0.00066 -0.00096 0.00169 127 4XZ 0.00113 0.00004 -0.00039 -0.00017 -0.00022 128 4YZ 0.00053 -0.00534 -0.00066 -0.00075 -0.00091 129 13 C 1S 0.00045 0.00146 -0.06421 0.06786 0.00016 130 2S -0.00084 -0.00293 0.12994 -0.13548 -0.00031 131 2PX 0.00190 -0.00059 0.09308 -0.07850 0.00538 132 2PY 0.05358 0.01386 -0.00221 0.00347 0.15466 133 2PZ 0.00006 0.00027 -0.01733 0.08137 -0.00044 134 3S -0.00101 -0.00307 0.14931 -0.15695 -0.00043 135 3PX 0.00055 -0.00030 0.03909 -0.02246 0.00185 136 3PY 0.01419 0.00155 -0.00103 0.00096 0.05618 137 3PZ -0.00003 0.00011 -0.00368 0.02803 -0.00027 138 4XX -0.00029 -0.00006 0.00092 -0.00130 -0.00058 139 4YY 0.00031 0.00022 -0.00792 0.01250 0.00055 140 4ZZ 0.00001 -0.00006 0.00337 -0.00495 0.00001 141 4XY -0.00412 -0.00050 -0.00050 0.00058 -0.00781 142 4XZ 0.00016 0.00005 0.00301 -0.00535 0.00015 143 4YZ 0.00444 0.00243 -0.00012 0.00026 0.00393 144 14 H 1S -0.00043 -0.00158 0.09050 -0.07830 -0.00070 145 2S -0.00016 -0.00065 0.03845 -0.03821 -0.00032 146 15 H 1S -0.00026 -0.00128 0.06030 -0.09983 0.00039 147 2S -0.00008 -0.00051 0.02271 -0.05249 0.00029 148 16 C 1S 0.05576 0.01628 0.04295 -0.07982 0.05821 149 2S -0.11222 -0.03792 -0.08575 0.16395 -0.12109 150 2PX -0.01428 -0.01592 0.03977 -0.02570 -0.08199 151 2PY 0.01077 -0.00306 0.04759 -0.08787 0.05452 152 2PZ -0.03205 -0.04623 0.00064 0.03584 0.13506 153 3S -0.10569 -0.02357 -0.09816 0.17584 -0.12365 154 3PX -0.00277 -0.01279 0.01554 -0.00892 -0.02739 155 3PY 0.00238 0.00568 0.01077 -0.03162 0.02309 156 3PZ -0.00874 -0.01249 0.00379 0.00501 0.04664 157 4XX 0.00525 0.00288 0.00566 -0.00703 0.00257 158 4YY -0.00028 -0.00034 -0.00155 0.00413 -0.00770 159 4ZZ -0.00017 -0.00189 0.00185 -0.00698 0.01126 160 4XY 0.00054 0.00005 0.00530 -0.00429 -0.00025 161 4XZ 0.00304 0.00341 -0.00253 0.00026 -0.00142 162 4YZ -0.00206 -0.00095 -0.00161 0.00456 -0.00019 163 17 H 1S -0.04352 -0.00792 -0.05610 0.10444 -0.10160 164 2S -0.01481 0.00199 -0.02843 0.04464 -0.05114 165 18 C 1S 0.03720 0.03269 -0.01533 0.03902 -0.09189 166 2S -0.07499 -0.06661 0.03018 -0.07960 0.18764 167 2PX -0.01241 -0.00386 -0.01106 0.03133 -0.03886 168 2PY 0.04500 0.04010 0.04416 -0.10553 -0.12371 169 2PZ 0.02444 0.00435 0.05401 -0.12316 0.06037 170 3S -0.05286 -0.06296 0.03445 -0.07643 0.19026 171 3PX 0.00135 0.00130 -0.00244 0.00894 -0.01963 172 3PY 0.01635 0.01279 0.01015 -0.02377 -0.04473 173 3PZ -0.00321 0.00005 0.01372 -0.03765 0.02882 174 4XX 0.00267 0.00161 0.00000 0.00293 -0.00569 175 4YY 0.00373 0.00265 0.00144 -0.00433 -0.00709 176 4ZZ -0.00312 -0.00170 -0.00354 0.00681 0.00168 177 4XY 0.00073 -0.00025 0.00121 -0.00203 0.00511 178 4XZ 0.00345 0.00262 -0.00011 -0.00016 -0.00390 179 4YZ -0.00095 0.00096 -0.00214 0.00445 -0.01025 180 19 H 1S -0.02891 -0.03589 0.02135 -0.05166 0.15112 181 2S -0.00567 -0.01527 0.00957 -0.02316 0.07528 182 20 C 1S -0.05624 -0.01854 0.04197 -0.08022 -0.05836 183 2S 0.11322 0.04239 -0.08376 0.16480 0.12138 184 2PX 0.01342 0.01292 0.03783 -0.01974 0.08472 185 2PY 0.01097 -0.00043 -0.05117 0.09019 0.05069 186 2PZ 0.03143 0.04554 -0.00141 0.03318 -0.13719 187 3S 0.10649 0.02831 -0.09614 0.17629 0.12409 188 3PX 0.00268 0.01225 0.01507 -0.00658 0.02847 189 3PY 0.00246 0.00589 -0.01196 0.03233 0.02165 190 3PZ 0.00851 0.01206 0.00324 0.00399 -0.04704 191 4XX -0.00515 -0.00289 0.00498 -0.00663 -0.00276 192 4YY 0.00013 0.00026 -0.00083 0.00367 0.00775 193 4ZZ 0.00013 0.00179 0.00182 -0.00707 -0.01120 194 4XY 0.00093 0.00047 -0.00570 0.00501 0.00048 195 4XZ -0.00314 -0.00328 -0.00230 0.00000 0.00137 196 4YZ -0.00192 -0.00085 0.00194 -0.00469 -0.00037 197 21 H 1S 0.04413 0.01084 -0.05569 0.10560 0.10305 198 2S 0.01495 -0.00084 -0.02828 0.04514 0.05203 199 22 C 1S -0.03663 -0.03174 -0.01434 0.04013 0.09162 200 2S 0.07391 0.06475 0.02817 -0.08191 -0.18718 201 2PX 0.01583 0.00724 -0.01401 0.03959 0.02824 202 2PY 0.04524 0.04252 -0.04481 0.10183 -0.12534 203 2PZ -0.02466 -0.00610 0.05347 -0.12321 -0.05901 204 3S 0.05190 0.06115 0.03270 -0.07816 -0.18937 205 3PX -0.00017 -0.00024 -0.00293 0.01090 0.01575 206 3PY 0.01663 0.01344 -0.01072 0.02241 -0.04564 207 3PZ 0.00324 -0.00042 0.01339 -0.03802 -0.02852 208 4XX -0.00253 -0.00159 -0.00008 0.00321 0.00630 209 4YY -0.00386 -0.00271 0.00164 -0.00445 0.00653 210 4ZZ 0.00314 0.00185 -0.00352 0.00673 -0.00173 211 4XY 0.00065 -0.00026 -0.00102 0.00147 0.00516 212 4XZ -0.00351 -0.00255 0.00005 -0.00044 0.00322 213 4YZ -0.00079 0.00099 0.00209 -0.00457 -0.01049 214 23 H 1S 0.02868 0.03516 0.01991 -0.05333 -0.14982 215 2S 0.00555 0.01497 0.00908 -0.02386 -0.07455 26 27 28 29 30 O O O O O Eigenvalues -- -0.53460 -0.49358 -0.48028 -0.46600 -0.46407 1 1 C 1S 0.00114 -0.01002 -0.00318 -0.04173 -0.00151 2 2S -0.00180 0.02023 0.00409 0.08313 0.00320 3 2PX 0.00504 -0.01110 0.13155 -0.11615 0.01536 4 2PY -0.00747 0.29037 0.10270 -0.05901 -0.02627 5 2PZ -0.01078 0.01341 -0.08317 0.09521 -0.08861 6 3S 0.00035 -0.01293 0.01629 0.14965 0.01302 7 3PX 0.00224 -0.00588 0.06017 -0.01659 0.00523 8 3PY -0.00360 0.09284 0.02155 -0.01061 -0.01166 9 3PZ -0.00593 0.00544 -0.03676 0.01723 -0.04514 10 4XX 0.00001 -0.00539 -0.00251 0.00052 -0.00338 11 4YY 0.00012 0.00238 0.00050 -0.00352 -0.00027 12 4ZZ 0.00018 -0.00397 -0.00400 -0.00084 0.00243 13 4XY -0.00006 0.00215 0.00072 0.01219 -0.00051 14 4XZ -0.00040 0.00437 0.00321 -0.00348 -0.00078 15 4YZ 0.00010 -0.00188 -0.00010 -0.01014 -0.00055 16 2 C 1S 0.00514 0.01749 0.04063 0.06979 0.01479 17 2S -0.00949 -0.04239 -0.09596 -0.15520 -0.03408 18 2PX -0.02614 0.16715 -0.04824 -0.00072 -0.14014 19 2PY 0.00598 0.02468 0.09235 0.01732 0.04971 20 2PZ 0.01249 -0.14949 0.09769 -0.01653 -0.02194 21 3S -0.02127 -0.04402 -0.09673 -0.17965 -0.04173 22 3PX -0.00805 0.03533 -0.00015 -0.01000 -0.05044 23 3PY 0.00131 0.01875 0.02007 -0.06355 0.00627 24 3PZ -0.00023 -0.03650 0.02274 -0.01206 -0.02286 25 4XX -0.00028 -0.00173 0.00024 0.00907 -0.00054 26 4YY 0.00239 0.00633 0.01056 0.00100 0.00211 27 4ZZ -0.00062 -0.00070 -0.00031 0.00992 0.00263 28 4XY 0.00180 -0.00273 0.00028 -0.00017 0.00107 29 4XZ 0.00060 0.00237 0.00438 -0.00416 -0.00084 30 4YZ -0.00019 0.00266 0.00044 -0.00006 -0.00046 31 3 C 1S -0.00303 0.00210 -0.00163 -0.04519 -0.01460 32 2S 0.00712 -0.00442 0.00051 0.08942 0.03209 33 2PX 0.00614 -0.10169 0.05047 0.07632 -0.04257 34 2PY 0.06956 -0.09828 0.18930 -0.06146 0.09439 35 2PZ 0.02449 0.05289 0.06935 -0.12208 -0.14465 36 3S 0.00135 0.00728 -0.00645 0.16045 0.02990 37 3PX -0.00310 -0.04429 0.01886 0.01619 -0.03472 38 3PY 0.02490 -0.04278 0.07296 -0.01145 0.03238 39 3PZ 0.01140 0.02082 0.04017 -0.02906 -0.06333 40 4XX -0.00076 0.00086 -0.00150 -0.00493 -0.00369 41 4YY 0.00053 -0.00078 0.00175 -0.00424 0.00261 42 4ZZ -0.00163 -0.00118 -0.00489 0.00481 -0.00140 43 4XY 0.00171 0.00100 -0.00319 -0.00681 -0.00468 44 4XZ 0.00183 -0.00185 0.00274 -0.00057 -0.00211 45 4YZ 0.00126 -0.00088 0.00113 0.01189 0.00126 46 4 C 1S -0.00241 0.00193 0.00021 0.04572 -0.01396 47 2S 0.00567 -0.00398 -0.00323 -0.09048 0.03090 48 2PX 0.00351 -0.09498 0.03617 -0.08153 -0.04725 49 2PY -0.06997 0.10412 -0.19274 -0.04635 -0.09463 50 2PZ 0.02453 0.05242 0.07333 0.12450 -0.13829 51 3S 0.00045 0.00703 -0.01295 -0.16040 0.02646 52 3PX -0.00358 -0.04104 0.01351 -0.01736 -0.03612 53 3PY -0.02480 0.04545 -0.07276 -0.00623 -0.03136 54 3PZ 0.01155 0.02031 0.04091 0.02931 -0.06128 55 4XX -0.00089 0.00072 -0.00110 0.00435 -0.00301 56 4YY 0.00077 -0.00065 0.00157 0.00489 0.00220 57 4ZZ -0.00160 -0.00114 -0.00495 -0.00461 -0.00161 58 4XY -0.00144 -0.00103 0.00302 -0.00708 0.00488 59 4XZ 0.00189 -0.00172 0.00271 0.00139 -0.00213 60 4YZ -0.00138 0.00105 -0.00110 0.01185 -0.00079 61 5 C 1S 0.00583 0.01741 0.03804 -0.07163 0.01350 62 2S -0.01108 -0.04222 -0.09009 0.15948 -0.03120 63 2PX -0.02719 0.16414 -0.05270 0.00636 -0.14158 64 2PY -0.00339 -0.03451 -0.08569 0.01921 -0.03874 65 2PZ 0.01423 -0.14958 0.09810 0.01371 -0.01876 66 3S -0.02222 -0.04388 -0.09066 0.18364 -0.03835 67 3PX -0.00798 0.03358 -0.00084 0.00639 -0.04917 68 3PY -0.00061 -0.02112 -0.02170 -0.06329 -0.00451 69 3PZ 0.00010 -0.03617 0.02308 0.01205 -0.02175 70 4XX -0.00039 -0.00152 -0.00007 -0.00897 -0.00082 71 4YY 0.00261 0.00603 0.01049 -0.00155 0.00227 72 4ZZ -0.00061 -0.00074 -0.00070 -0.00991 0.00230 73 4XY -0.00152 0.00319 0.00054 0.00036 -0.00078 74 4XZ 0.00063 0.00225 0.00448 0.00395 -0.00067 75 4YZ 0.00012 -0.00274 -0.00082 -0.00031 0.00057 76 6 C 1S 0.00063 -0.00932 -0.00169 0.04204 -0.00068 77 2S -0.00072 0.01883 0.00109 -0.08379 0.00160 78 2PX 0.00496 -0.02878 0.12768 0.10714 0.01909 79 2PY 0.00792 -0.28994 -0.11319 -0.05990 0.02376 80 2PZ -0.01014 0.01411 -0.08505 -0.08998 -0.08984 81 3S 0.00109 -0.01568 0.01110 -0.15062 0.00928 82 3PX 0.00222 -0.01169 0.05893 0.01383 0.00615 83 3PY 0.00417 -0.09208 -0.02566 -0.01029 0.01195 84 3PZ -0.00563 0.00576 -0.03680 -0.01500 -0.04527 85 4XX 0.00001 -0.00562 -0.00256 0.00107 -0.00326 86 4YY 0.00010 0.00268 0.00070 0.00202 -0.00024 87 4ZZ 0.00014 -0.00397 -0.00398 0.00107 0.00239 88 4XY 0.00000 -0.00145 -0.00012 0.01237 0.00100 89 4XZ -0.00041 0.00456 0.00332 0.00261 -0.00067 90 4YZ 0.00000 0.00148 -0.00041 -0.01033 0.00046 91 7 H 1S -0.00341 -0.06574 -0.09943 0.14005 -0.02310 92 2S -0.00102 -0.04667 -0.06100 0.10982 -0.01149 93 8 H 1S -0.02658 -0.01823 -0.07056 0.13658 0.04842 94 2S -0.01777 -0.00900 -0.03885 0.10105 0.02975 95 9 H 1S -0.02676 -0.01846 -0.07424 -0.13609 0.04353 96 2S -0.01784 -0.00937 -0.04145 -0.10102 0.02595 97 10 H 1S -0.00234 -0.06705 -0.10344 -0.13484 -0.02555 98 2S -0.00049 -0.04749 -0.06414 -0.10611 -0.01361 99 11 O 1S -0.00816 -0.02517 -0.05336 -0.03905 -0.01737 100 2S 0.01806 0.05200 0.11176 0.08641 0.03638 101 2PX -0.02243 0.09564 -0.04570 -0.02265 -0.10472 102 2PY -0.01104 -0.08120 -0.17980 -0.17499 -0.06068 103 2PZ 0.00573 -0.09728 0.05285 -0.01571 -0.02437 104 3S 0.03048 0.11129 0.22393 0.13157 0.07228 105 3PX -0.01324 0.05785 -0.02505 -0.01236 -0.05928 106 3PY -0.00339 -0.03676 -0.08565 -0.09895 -0.02980 107 3PZ 0.00311 -0.05636 0.03165 -0.00772 -0.01204 108 4XX -0.00093 0.00002 -0.00252 0.00150 -0.00193 109 4YY -0.00098 -0.00840 -0.01624 -0.01413 -0.00452 110 4ZZ -0.00023 -0.00161 -0.00135 0.00180 -0.00024 111 4XY -0.00173 0.00789 -0.00431 -0.00215 -0.00862 112 4XZ 0.00008 0.00031 0.00203 -0.00051 -0.00018 113 4YZ 0.00051 -0.00832 0.00438 -0.00131 -0.00203 114 12 O 1S -0.00840 -0.02517 -0.05126 0.04102 -0.01649 115 2S 0.01858 0.05202 0.10716 -0.09057 0.03444 116 2PX -0.02173 0.09921 -0.03231 0.01411 -0.09864 117 2PY 0.01293 0.07381 0.17240 -0.18140 0.06229 118 2PZ 0.00656 -0.09653 0.05294 0.01406 -0.02157 119 3S 0.03120 0.11114 0.21618 -0.13965 0.06927 120 3PX -0.01305 0.05924 -0.01851 0.00759 -0.05625 121 3PY 0.00454 0.03238 0.08176 -0.10212 0.03073 122 3PZ 0.00356 -0.05597 0.03163 0.00661 -0.01042 123 4XX -0.00072 -0.00092 -0.00214 -0.00157 -0.00103 124 4YY -0.00124 -0.00741 -0.01591 0.01487 -0.00510 125 4ZZ -0.00022 -0.00162 -0.00144 -0.00174 -0.00029 126 4XY 0.00173 -0.00836 0.00312 -0.00124 0.00823 127 4XZ 0.00005 0.00084 0.00175 0.00035 -0.00002 128 4YZ -0.00060 0.00825 -0.00453 -0.00119 0.00180 129 13 C 1S 0.00990 -0.00833 0.00040 -0.00016 0.01033 130 2S -0.01935 0.01454 -0.00193 0.00051 -0.02594 131 2PX -0.11440 0.07446 -0.05183 0.00004 0.15943 132 2PY 0.00486 -0.00247 0.00144 0.03044 -0.00687 133 2PZ 0.12759 0.06050 -0.07761 -0.00080 0.19273 134 3S -0.03979 0.04219 0.00306 -0.00027 -0.01356 135 3PX -0.03549 0.03612 -0.02908 0.00077 0.05522 136 3PY 0.00159 -0.00139 0.00118 0.01372 -0.00253 137 3PZ 0.04691 0.03702 -0.04609 -0.00028 0.10045 138 4XX 0.00175 0.00198 -0.00160 -0.00006 0.00484 139 4YY -0.00417 -0.00113 0.00078 0.00000 0.00212 140 4ZZ -0.00188 -0.00070 0.00029 0.00005 -0.00529 141 4XY -0.00026 -0.00020 0.00020 -0.00040 -0.00021 142 4XZ -0.00817 0.00099 -0.00046 0.00005 0.00492 143 4YZ 0.00039 -0.00002 -0.00002 0.00268 -0.00011 144 14 H 1S -0.04352 0.05693 -0.04275 -0.00068 0.11617 145 2S -0.03172 0.03157 -0.02450 -0.00084 0.09069 146 15 H 1S -0.07763 -0.02591 0.03918 0.00058 -0.11506 147 2S -0.04838 -0.01964 0.01786 0.00038 -0.07020 148 16 C 1S 0.01474 0.00461 -0.00503 0.01500 -0.00773 149 2S -0.03226 -0.00845 0.01043 -0.03269 0.02049 150 2PX -0.01405 0.01984 -0.02487 -0.02918 0.09344 151 2PY 0.21112 0.00149 -0.01615 0.00972 -0.06132 152 2PZ 0.05138 0.03596 -0.03842 -0.01394 0.09685 153 3S -0.03389 -0.02108 0.01278 -0.04633 0.00006 154 3PX -0.01101 0.00065 -0.01027 -0.01188 0.05007 155 3PY 0.08998 -0.00750 -0.00106 0.00662 -0.03710 156 3PZ 0.01922 0.01642 -0.00977 -0.01947 0.03679 157 4XX -0.00138 0.00195 -0.00044 0.00055 -0.00216 158 4YY 0.00054 -0.00077 0.00071 -0.00166 0.00017 159 4ZZ -0.00162 -0.00100 -0.00039 0.00304 -0.00012 160 4XY 0.00129 0.00234 -0.00361 0.00019 0.00310 161 4XZ 0.00179 -0.00009 -0.00135 0.00239 0.00198 162 4YZ 0.00267 0.00301 -0.00410 -0.00088 0.00551 163 17 H 1S -0.12184 -0.00717 0.01421 -0.02089 0.03717 164 2S -0.06241 0.00050 0.01372 -0.00576 0.01912 165 18 C 1S 0.01604 0.00056 0.00324 -0.01192 -0.00256 166 2S -0.03183 -0.00087 -0.00771 0.02310 0.00703 167 2PX 0.06834 0.02618 -0.04984 -0.01742 0.09648 168 2PY 0.13296 0.01207 -0.03840 -0.01484 -0.05128 169 2PZ -0.16573 -0.02260 0.02929 0.03457 -0.00198 170 3S -0.05823 -0.00372 -0.00441 0.03920 0.00958 171 3PX 0.02049 0.01232 -0.02327 -0.00154 0.04954 172 3PY 0.04081 0.00562 -0.01180 -0.00834 -0.01681 173 3PZ -0.04902 -0.00688 0.00840 0.00213 0.00198 174 4XX 0.00002 0.00078 -0.00004 -0.00130 0.00224 175 4YY -0.00277 -0.00024 -0.00042 -0.00036 -0.00012 176 4ZZ -0.00026 -0.00109 0.00200 0.00024 -0.00112 177 4XY 0.00037 0.00030 -0.00147 0.00162 0.00216 178 4XZ 0.00110 -0.00062 0.00142 -0.00061 -0.00514 179 4YZ -0.00333 0.00027 -0.00046 -0.00350 0.00207 180 19 H 1S -0.12640 -0.01857 0.03007 0.03643 0.00101 181 2S -0.07708 -0.01363 0.02326 0.02875 0.00013 182 20 C 1S 0.01436 0.00446 -0.00480 -0.01445 -0.00883 183 2S -0.03121 -0.00817 0.00997 0.03130 0.02271 184 2PX -0.02763 0.01947 -0.02230 0.02769 0.09397 185 2PY -0.21037 -0.00582 0.02281 0.00505 0.05070 186 2PZ 0.05094 0.03585 -0.03863 0.01019 0.09775 187 3S -0.03397 -0.02049 0.01226 0.04562 0.00360 188 3PX -0.01649 0.00122 -0.00971 0.01124 0.05086 189 3PY -0.08798 0.00621 0.00371 0.00433 0.03226 190 3PZ 0.01902 0.01625 -0.00919 0.01737 0.03759 191 4XX -0.00142 0.00164 -0.00008 -0.00046 -0.00240 192 4YY 0.00073 -0.00060 0.00050 0.00160 0.00036 193 4ZZ -0.00175 -0.00092 -0.00042 -0.00296 -0.00032 194 4XY -0.00085 -0.00251 0.00359 0.00025 -0.00313 195 4XZ 0.00158 -0.00027 -0.00110 -0.00229 0.00154 196 4YZ -0.00259 -0.00289 0.00400 -0.00079 -0.00573 197 21 H 1S -0.12177 -0.00896 0.01720 0.01893 0.03428 198 2S -0.06273 -0.00076 0.01552 0.00449 0.01667 199 22 C 1S 0.01665 0.00028 0.00332 0.01166 -0.00152 200 2S -0.03308 -0.00031 -0.00782 -0.02261 0.00497 201 2PX 0.05913 0.02542 -0.04714 0.01504 0.10098 202 2PY -0.13811 -0.01376 0.04238 -0.02182 0.04191 203 2PZ -0.16689 -0.02281 0.03089 -0.03438 -0.00616 204 3S -0.05925 -0.00304 -0.00508 -0.03863 0.00661 205 3PX 0.01754 0.01190 -0.02248 0.00037 0.05055 206 3PY -0.04244 -0.00646 0.01378 -0.01018 0.01195 207 3PZ -0.04957 -0.00694 0.00907 -0.00220 0.00110 208 4XX 0.00002 0.00071 0.00014 0.00142 0.00205 209 4YY -0.00271 -0.00027 -0.00047 0.00026 0.00009 210 4ZZ -0.00024 -0.00107 0.00193 -0.00041 -0.00112 211 4XY -0.00054 -0.00038 0.00140 0.00154 -0.00224 212 4XZ 0.00133 -0.00067 0.00145 0.00047 -0.00516 213 4YZ 0.00315 -0.00019 0.00039 -0.00349 -0.00206 214 23 H 1S -0.12765 -0.01832 0.03088 -0.03796 -0.00302 215 2S -0.07773 -0.01350 0.02376 -0.02995 -0.00276 31 32 33 34 35 O O O O O Eigenvalues -- -0.44782 -0.41841 -0.40758 -0.40388 -0.39951 1 1 C 1S 0.01197 0.00408 -0.00821 -0.00443 0.00622 2 2S -0.02739 -0.00788 0.02069 0.00964 -0.01194 3 2PX -0.10775 -0.08328 0.09766 0.09655 0.05271 4 2PY -0.12982 -0.00391 0.12832 -0.02446 0.01914 5 2PZ 0.14467 0.05443 0.02891 0.03978 -0.09305 6 3S -0.04807 -0.07176 0.02409 0.02602 -0.00569 7 3PX -0.03333 -0.05827 0.03444 0.05171 0.02368 8 3PY -0.01551 -0.04443 0.02172 -0.01564 -0.00290 9 3PZ 0.05741 0.03788 0.03138 0.02210 -0.05459 10 4XX 0.00721 -0.00291 -0.00211 0.00290 -0.00408 11 4YY -0.00347 0.00492 0.00487 0.00027 0.00012 12 4ZZ 0.00183 -0.00022 -0.00614 -0.00357 0.00304 13 4XY 0.00225 0.00523 -0.00076 0.00083 -0.00335 14 4XZ -0.00441 0.00175 0.00550 0.00074 0.00086 15 4YZ -0.00136 -0.00252 0.00228 0.00110 0.00963 16 2 C 1S 0.01061 -0.00244 -0.00340 0.00597 -0.00551 17 2S -0.02448 0.00795 0.00824 -0.01355 0.01426 18 2PX 0.10444 -0.06840 0.03885 0.05358 -0.18711 19 2PY 0.02720 -0.25315 -0.13325 0.01422 0.06244 20 2PZ 0.01632 -0.04013 0.12068 0.14178 -0.09948 21 3S -0.02531 -0.01610 0.00806 -0.01525 0.00415 22 3PX 0.00728 -0.01563 0.05254 0.04609 -0.07902 23 3PY -0.01518 0.00414 -0.00130 -0.01446 0.00159 24 3PZ 0.04268 -0.02030 0.05100 0.06443 -0.07290 25 4XX 0.00248 -0.00638 -0.00707 0.00012 0.00027 26 4YY -0.00001 0.00048 0.00586 -0.00152 -0.00136 27 4ZZ 0.00064 -0.00453 -0.00271 0.00396 0.00128 28 4XY 0.00663 0.00211 -0.00446 -0.00569 0.00777 29 4XZ -0.00023 0.00103 0.00187 -0.00241 0.00054 30 4YZ -0.00707 0.00134 -0.00173 -0.00299 0.00764 31 3 C 1S -0.02423 0.00141 -0.00498 -0.00169 -0.00683 32 2S 0.04994 -0.00153 0.01252 0.00134 0.00781 33 2PX -0.07362 0.07099 0.09967 0.05912 -0.01062 34 2PY 0.14327 -0.00975 0.03207 -0.06999 0.01306 35 2PZ 0.15945 -0.11384 -0.04575 -0.05218 -0.08145 36 3S 0.09966 -0.05796 -0.01081 -0.00226 0.06962 37 3PX -0.04027 0.04187 0.06144 0.02532 -0.01131 38 3PY 0.03215 -0.03489 0.01301 -0.02284 0.05143 39 3PZ 0.07536 -0.06700 -0.03155 -0.01399 -0.02173 40 4XX -0.00509 -0.00324 -0.00649 -0.00642 0.00298 41 4YY 0.00463 0.00428 0.00276 -0.00141 -0.00281 42 4ZZ -0.00689 0.00080 0.00485 0.00831 -0.00114 43 4XY 0.00004 -0.00222 0.00143 -0.00271 0.00131 44 4XZ 0.00138 0.00244 0.00116 -0.00330 -0.00045 45 4YZ -0.00204 0.00736 -0.00039 -0.00020 0.00844 46 4 C 1S -0.02432 -0.00203 -0.00502 -0.00247 0.00564 47 2S 0.05039 0.00302 0.01213 0.00246 -0.00508 48 2PX -0.08047 -0.07367 0.09706 0.06006 0.02447 49 2PY -0.13727 -0.01780 -0.03852 0.06511 -0.00224 50 2PZ 0.15812 0.11983 -0.05164 -0.05667 0.07841 51 3S 0.09773 0.05975 -0.00871 0.00584 -0.06908 52 3PX -0.04070 -0.04395 0.05971 0.02328 0.02263 53 3PY -0.02753 -0.03571 -0.01917 0.01476 0.04599 54 3PZ 0.07333 0.06939 -0.03351 -0.01421 0.01896 55 4XX -0.00517 0.00281 -0.00628 -0.00561 -0.00435 56 4YY 0.00454 -0.00355 0.00268 -0.00216 0.00353 57 4ZZ -0.00677 -0.00143 0.00468 0.00808 0.00158 58 4XY 0.00054 -0.00280 -0.00093 0.00271 0.00180 59 4XZ 0.00157 -0.00167 0.00112 -0.00341 0.00123 60 4YZ 0.00158 0.00755 -0.00030 -0.00015 0.00851 61 5 C 1S 0.01055 0.00284 -0.00451 0.00575 0.00494 62 2S -0.02431 -0.00882 0.01094 -0.01303 -0.01277 63 2PX 0.10007 0.05237 0.03234 0.03666 0.19847 64 2PY -0.03226 -0.25138 0.12888 -0.02844 0.07455 65 2PZ 0.01456 0.03806 0.11143 0.12956 0.11691 66 3S -0.02516 0.01360 0.01035 -0.01458 -0.00475 67 3PX 0.00719 0.01503 0.04617 0.04052 0.08672 68 3PY 0.01411 0.00226 -0.00303 0.01237 -0.00481 69 3PZ 0.04197 0.01997 0.04453 0.05609 0.08138 70 4XX 0.00170 0.00617 -0.00659 0.00091 -0.00063 71 4YY 0.00079 -0.00003 0.00516 -0.00231 0.00154 72 4ZZ 0.00057 0.00411 -0.00272 0.00421 -0.00198 73 4XY -0.00683 0.00133 0.00474 0.00472 0.00829 74 4XZ 0.00024 -0.00063 0.00195 -0.00224 0.00042 75 4YZ 0.00697 0.00149 0.00087 0.00228 0.00787 76 6 C 1S 0.01207 -0.00395 -0.00754 -0.00424 -0.00709 77 2S -0.02756 0.00761 0.01947 0.00921 0.01444 78 2PX -0.09974 0.07965 0.09268 0.10183 -0.03978 79 2PY 0.13687 -0.01564 -0.13508 0.01753 0.00189 80 2PZ 0.14365 -0.05333 0.02201 0.03086 0.10138 81 3S -0.04903 0.07000 0.02142 0.02880 0.00722 82 3PX -0.03291 0.05353 0.03369 0.05505 -0.02008 83 3PY 0.01804 -0.05015 -0.02255 0.01156 -0.00505 84 3PZ 0.05737 -0.03691 0.02772 0.01607 0.06163 85 4XX 0.00686 0.00326 -0.00230 0.00252 0.00348 86 4YY -0.00316 -0.00532 0.00475 0.00015 0.00111 87 4ZZ 0.00187 0.00019 -0.00584 -0.00318 -0.00405 88 4XY -0.00304 0.00465 0.00157 -0.00080 -0.00348 89 4XZ -0.00430 -0.00179 0.00535 0.00055 0.00055 90 4YZ 0.00160 -0.00238 -0.00343 -0.00195 0.00910 91 7 H 1S 0.11771 0.04951 -0.06709 -0.01284 -0.07289 92 2S 0.10401 0.02021 -0.07452 -0.01029 -0.05862 93 8 H 1S -0.10980 0.07460 0.03435 0.06575 0.04576 94 2S -0.09191 0.04794 0.01181 0.06144 0.04951 95 9 H 1S -0.10823 -0.08131 0.03763 0.06791 -0.04432 96 2S -0.09134 -0.05390 0.01479 0.06467 -0.05014 97 10 H 1S 0.11752 -0.05034 -0.07240 -0.01829 0.06397 98 2S 0.10363 -0.02113 -0.07920 -0.01403 0.04771 99 11 O 1S -0.01316 0.05079 0.02205 -0.00496 -0.00624 100 2S 0.02903 -0.10798 -0.04458 0.00965 0.01537 101 2PX 0.03773 -0.00904 0.09039 0.07377 -0.20611 102 2PY -0.07214 0.32203 0.15420 -0.05771 -0.01265 103 2PZ 0.04415 -0.02550 0.11859 0.13259 -0.13307 104 3S 0.04549 -0.19856 -0.09153 0.01985 0.01723 105 3PX 0.02329 -0.00776 0.05151 0.04377 -0.12853 106 3PY -0.04049 0.17845 0.08418 -0.03326 -0.00628 107 3PZ 0.02364 -0.01575 0.07172 0.07965 -0.08225 108 4XX 0.00131 -0.00169 0.00021 0.00114 -0.00228 109 4YY -0.00566 0.02147 0.00916 -0.00437 0.00151 110 4ZZ 0.00066 -0.00153 0.00032 0.00077 0.00037 111 4XY 0.00398 -0.00031 0.00595 0.00447 -0.01426 112 4XZ 0.00056 -0.00115 0.00134 0.00082 -0.00130 113 4YZ 0.00222 -0.00161 0.00882 0.00962 -0.00908 114 12 O 1S -0.01281 -0.05051 0.02241 -0.00681 0.01022 115 2S 0.02821 0.10738 -0.04524 0.01388 -0.02360 116 2PX 0.04025 0.02878 0.06452 0.05855 0.21588 117 2PY 0.06700 0.31332 -0.16185 0.06327 -0.05643 118 2PZ 0.04236 0.02489 0.10591 0.11633 0.15007 119 3S 0.04434 0.19782 -0.09300 0.02598 -0.03266 120 3PX 0.02463 0.01871 0.03615 0.03393 0.13405 121 3PY 0.03746 0.17317 -0.08864 0.03635 -0.03184 122 3PZ 0.02256 0.01538 0.06390 0.06962 0.09225 123 4XX 0.00080 0.00143 -0.00050 0.00062 0.00054 124 4YY -0.00504 -0.02100 0.01009 -0.00435 0.00192 125 4ZZ 0.00062 0.00140 0.00029 0.00085 -0.00046 126 4XY -0.00431 -0.00201 -0.00412 -0.00351 -0.01517 127 4XZ 0.00039 0.00108 0.00070 0.00013 0.00081 128 4YZ -0.00213 -0.00161 -0.00802 -0.00853 -0.01040 129 13 C 1S -0.00882 -0.00005 -0.00839 0.01897 0.00124 130 2S 0.01531 0.00022 0.01545 -0.04213 -0.00256 131 2PX 0.15359 -0.00261 0.04833 0.23714 0.01370 132 2PY -0.00579 -0.01736 0.00384 -0.00301 -0.14065 133 2PZ 0.07911 0.00090 0.15259 -0.07090 -0.00034 134 3S 0.04284 -0.00040 0.05961 -0.07840 -0.00685 135 3PX 0.06720 -0.00079 0.00677 0.12071 0.00822 136 3PY -0.00238 -0.00577 0.00154 -0.00326 -0.04882 137 3PZ 0.02954 -0.00048 0.07803 -0.01245 -0.00018 138 4XX 0.00776 -0.00003 0.00879 0.00642 0.00115 139 4YY -0.00335 0.00011 -0.00331 -0.00549 -0.00071 140 4ZZ -0.00343 -0.00013 -0.00690 0.00571 0.00002 141 4XY -0.00052 0.00006 -0.00075 -0.00083 0.00433 142 4XZ 0.00503 0.00004 0.00262 0.00688 0.00044 143 4YZ -0.00019 0.00111 0.00039 0.00013 -0.00683 144 14 H 1S 0.11380 -0.00085 0.07472 0.11237 0.01114 145 2S 0.08697 -0.00063 0.06501 0.09494 0.00978 146 15 H 1S -0.04069 -0.00086 -0.08563 0.04015 -0.00055 147 2S -0.04538 -0.00143 -0.07228 0.05812 0.00027 148 16 C 1S 0.00654 0.00588 0.00799 0.01463 -0.01139 149 2S -0.01331 -0.01266 -0.01473 -0.03298 0.03245 150 2PX -0.00736 0.02422 -0.01605 -0.05184 0.06534 151 2PY -0.01592 -0.01212 0.07768 -0.12329 0.12670 152 2PZ 0.05765 -0.03085 0.05842 0.03734 0.04083 153 3S -0.02037 -0.01155 -0.03625 -0.04868 0.02770 154 3PX -0.00325 0.01685 -0.01448 -0.01487 0.05482 155 3PY -0.00697 -0.00453 0.00953 -0.04473 0.04215 156 3PZ 0.03730 -0.01837 0.03371 -0.00390 0.00397 157 4XX 0.00576 -0.00077 0.00455 0.00392 -0.00012 158 4YY -0.00357 0.00131 -0.00619 0.00009 -0.00704 159 4ZZ -0.00177 0.00124 0.00134 0.00070 0.00458 160 4XY 0.00015 0.00041 0.00406 -0.00498 0.00310 161 4XZ -0.00081 0.00060 0.00155 0.00091 -0.00225 162 4YZ -0.00023 -0.00103 -0.00483 0.01042 -0.00133 163 17 H 1S -0.00958 0.00813 -0.07012 0.05326 -0.06855 164 2S -0.00408 -0.00111 -0.06298 0.05411 -0.07432 165 18 C 1S 0.00696 -0.00561 0.01269 -0.01217 -0.01549 166 2S -0.01758 0.01324 -0.03189 0.02553 0.03415 167 2PX -0.01110 -0.01072 -0.02028 0.01297 0.04065 168 2PY -0.08732 -0.01500 -0.20124 0.19533 -0.00071 169 2PZ -0.01326 0.05391 0.00637 -0.10135 -0.04177 170 3S -0.01732 0.00913 -0.02917 0.04861 0.06979 171 3PX -0.00774 0.00248 -0.00728 -0.00281 0.02129 172 3PY -0.02457 -0.01167 -0.06089 0.05670 0.00908 173 3PZ -0.00805 0.02274 -0.00753 -0.04755 -0.00671 174 4XX 0.00170 -0.00009 0.00300 -0.00174 -0.00047 175 4YY -0.00256 0.00135 -0.00548 0.00466 -0.00367 176 4ZZ 0.00154 0.00014 0.00694 -0.00979 0.00179 177 4XY -0.00020 0.00114 0.00203 -0.00270 -0.00264 178 4XZ 0.00029 -0.00148 -0.00342 0.00638 -0.00314 179 4YZ 0.00012 -0.00428 -0.00362 0.00455 0.00060 180 19 H 1S 0.01935 0.04151 0.07323 -0.11499 -0.01163 181 2S 0.02144 0.03019 0.07743 -0.10053 -0.02500 182 20 C 1S 0.00674 -0.00631 0.00590 0.01192 0.01326 183 2S -0.01364 0.01341 -0.00966 -0.02686 -0.03730 184 2PX -0.00359 -0.02295 -0.01616 -0.04118 -0.06226 185 2PY 0.01720 -0.01055 -0.09216 0.10721 0.14572 186 2PZ 0.05667 0.02810 0.06739 0.04910 -0.03191 187 3S -0.02141 0.01419 -0.02944 -0.03768 -0.03010 188 3PX -0.00150 -0.01607 -0.01085 -0.00886 -0.05255 189 3PY 0.00824 -0.00483 -0.01356 0.03648 0.04797 190 3PZ 0.03640 0.01845 0.03638 0.00042 -0.00074 191 4XX 0.00555 0.00065 0.00394 0.00441 0.00123 192 4YY -0.00342 -0.00119 -0.00650 -0.00153 0.00633 193 4ZZ -0.00162 -0.00135 0.00173 0.00117 -0.00455 194 4XY -0.00107 0.00031 -0.00523 0.00415 0.00415 195 4XZ -0.00074 -0.00066 0.00162 -0.00015 0.00216 196 4YZ 0.00027 -0.00077 0.00490 -0.01050 -0.00265 197 21 H 1S -0.00920 -0.00715 -0.07855 0.04286 0.07421 198 2S -0.00420 0.00205 -0.07212 0.04424 0.08017 199 22 C 1S 0.00633 0.00590 0.01136 -0.01369 0.01442 200 2S -0.01640 -0.01386 -0.02872 0.02941 -0.03199 201 2PX -0.00459 0.00908 0.00141 0.00601 -0.04237 202 2PY 0.08916 -0.01310 0.20178 -0.19626 -0.01199 203 2PZ -0.01002 -0.05004 -0.00235 -0.11621 0.02809 204 3S -0.01428 -0.01095 -0.02402 0.05173 -0.06606 205 3PX -0.00547 -0.00374 0.00006 -0.00479 -0.02301 206 3PY 0.02490 -0.01087 0.06004 -0.05640 0.00708 207 3PZ -0.00759 -0.02082 -0.00877 -0.04908 0.00155 208 4XX 0.00166 0.00026 0.00275 -0.00134 0.00007 209 4YY -0.00251 -0.00149 -0.00579 0.00349 0.00424 210 4ZZ 0.00151 -0.00008 0.00720 -0.00947 -0.00269 211 4XY -0.00019 0.00100 -0.00232 0.00368 -0.00189 212 4XZ 0.00015 0.00110 -0.00352 0.00576 0.00392 213 4YZ 0.00010 -0.00430 0.00332 -0.00574 -0.00015 214 23 H 1S 0.02184 -0.03902 0.06852 -0.12229 0.00048 215 2S 0.02344 -0.02814 0.07168 -0.10961 0.01445 36 37 38 39 40 O O O O O Eigenvalues -- -0.39755 -0.39040 -0.38804 -0.37962 -0.36479 1 1 C 1S 0.00619 -0.00045 0.00058 -0.01550 0.00489 2 2S -0.01225 -0.00310 -0.00128 0.02625 -0.00798 3 2PX 0.06722 0.05013 0.03582 -0.11980 0.03089 4 2PY -0.00105 -0.14024 -0.00102 -0.00926 0.00220 5 2PZ -0.06755 0.00912 0.03949 0.06739 -0.04596 6 3S -0.01919 0.02394 -0.00717 0.11268 -0.03243 7 3PX 0.03161 0.04630 0.02018 -0.05069 0.00832 8 3PY -0.00583 -0.03771 -0.00061 0.06851 -0.01868 9 3PZ -0.03021 -0.00764 0.02439 0.01986 -0.02697 10 4XX -0.00100 0.00491 0.00139 0.00050 -0.00236 11 4YY -0.00088 -0.00481 0.00006 -0.00320 0.00153 12 4ZZ 0.00090 0.00137 -0.00166 0.00321 0.00038 13 4XY -0.00558 0.00165 0.00020 0.01248 -0.00303 14 4XZ 0.00076 -0.00390 0.00022 -0.00424 0.00147 15 4YZ 0.00597 -0.00062 0.00110 -0.00634 0.00466 16 2 C 1S -0.00736 0.00325 -0.00276 -0.00258 0.00524 17 2S 0.01575 -0.00797 0.00909 0.00790 -0.01312 18 2PX -0.07110 0.04284 0.04564 0.06020 -0.10646 19 2PY 0.07805 0.16442 -0.00505 0.01404 -0.00951 20 2PZ 0.00828 0.03842 0.05066 -0.22096 0.01741 21 3S 0.03734 0.01098 -0.01295 -0.01003 -0.02340 22 3PX -0.02672 0.01397 0.01569 -0.01856 -0.04205 23 3PY 0.01609 -0.03020 0.01082 -0.00955 -0.00943 24 3PZ -0.00852 0.01416 0.03184 -0.07878 0.00144 25 4XX 0.00080 0.00742 -0.00188 0.00095 0.00135 26 4YY -0.00067 -0.01053 0.00124 -0.00081 -0.00130 27 4ZZ 0.00177 0.01009 0.00040 -0.00045 -0.00036 28 4XY 0.00071 -0.00534 -0.00139 0.00147 0.00315 29 4XZ -0.00040 -0.00608 -0.00113 0.00132 0.00078 30 4YZ 0.00125 0.00057 -0.00239 0.00964 0.00108 31 3 C 1S 0.00433 0.00937 -0.00551 0.01955 -0.00435 32 2S -0.00504 -0.02673 0.01192 -0.03415 0.00589 33 2PX -0.01384 -0.00414 0.00939 -0.12171 0.04360 34 2PY -0.00493 -0.23475 0.01507 0.01324 -0.00356 35 2PZ -0.03279 -0.05708 0.02510 0.08988 -0.06505 36 3S -0.03144 -0.00564 0.02966 -0.08870 0.02060 37 3PX 0.00138 -0.01402 0.00763 -0.08425 0.00220 38 3PY -0.00366 -0.06979 -0.00966 -0.04792 0.00261 39 3PZ -0.02519 -0.00885 0.00786 0.04551 -0.01189 40 4XX 0.00226 0.00390 0.00009 0.00410 -0.00326 41 4YY -0.00033 -0.00938 0.00164 0.00322 -0.00040 42 4ZZ -0.00062 0.00939 -0.00213 -0.00792 0.00309 43 4XY -0.00164 -0.00073 -0.00032 0.00946 -0.00433 44 4XZ -0.00286 -0.00471 -0.00138 0.00052 0.00093 45 4YZ 0.00265 0.00259 0.00006 -0.00770 0.00482 46 4 C 1S -0.00319 0.01030 -0.00519 -0.01943 0.00398 47 2S 0.00211 -0.02766 0.01142 0.03393 -0.00522 48 2PX 0.00877 0.00606 0.00571 0.12280 -0.04134 49 2PY 0.01556 0.23361 -0.01514 0.00406 -0.00289 50 2PZ 0.03367 -0.05047 0.02904 -0.09031 0.06490 51 3S 0.03114 -0.01244 0.02830 0.08779 -0.01947 52 3PX -0.00502 -0.01113 0.00648 0.08165 -0.00122 53 3PY 0.00317 0.07408 0.01005 -0.05341 0.00229 54 3PZ 0.02726 -0.00698 0.00963 -0.04496 0.01207 55 4XX -0.00168 0.00400 0.00001 -0.00320 0.00232 56 4YY -0.00032 -0.00921 0.00171 -0.00418 0.00101 57 4ZZ 0.00095 0.00922 -0.00214 0.00796 -0.00289 58 4XY -0.00137 0.00014 0.00006 0.00960 -0.00431 59 4XZ 0.00244 -0.00522 -0.00118 -0.00131 -0.00037 60 4YZ 0.00241 -0.00125 0.00026 -0.00757 0.00492 61 5 C 1S 0.00764 0.00324 -0.00232 0.00257 -0.00469 62 2S -0.01656 -0.00801 0.00814 -0.00780 0.01188 63 2PX 0.08090 0.04451 0.05099 -0.05588 0.10282 64 2PY 0.05153 -0.17621 0.00514 0.01686 -0.01298 65 2PZ -0.00965 0.04809 0.04286 0.22592 -0.01721 66 3S -0.03531 0.01267 -0.01468 0.00988 0.02110 67 3PX 0.02818 0.02027 0.01595 0.02002 0.03995 68 3PY 0.01681 0.02834 -0.01053 -0.01108 -0.01158 69 3PZ 0.00842 0.02070 0.02916 0.08061 -0.00112 70 4XX 0.00027 0.00813 -0.00167 -0.00081 -0.00096 71 4YY -0.00060 -0.01092 0.00105 0.00057 0.00107 72 4ZZ -0.00077 0.01030 0.00036 0.00065 0.00017 73 4XY 0.00092 0.00468 0.00149 0.00181 0.00309 74 4XZ -0.00011 -0.00615 -0.00093 -0.00082 -0.00052 75 4YZ 0.00125 0.00049 0.00217 0.00967 0.00111 76 6 C 1S -0.00566 -0.00096 -0.00011 0.01544 -0.00500 77 2S 0.01054 -0.00218 -0.00012 -0.02622 0.00830 78 2PX -0.06633 0.06249 0.02868 0.12321 -0.03178 79 2PY 0.02172 0.13674 -0.00007 -0.01423 0.00107 80 2PZ 0.06964 0.00963 0.04497 -0.06413 0.04439 81 3S 0.01927 0.02781 -0.00303 -0.11167 0.03235 82 3PX -0.02913 0.05124 0.01711 0.05757 -0.01044 83 3PY -0.00018 0.03137 -0.00229 0.06626 -0.01882 84 3PZ 0.02955 -0.00676 0.02658 -0.01826 0.02633 85 4XX 0.00103 0.00504 0.00135 0.00106 0.00188 86 4YY 0.00084 -0.00485 0.00007 0.00172 -0.00102 87 4ZZ -0.00058 0.00116 -0.00158 -0.00328 -0.00047 88 4XY -0.00584 -0.00213 -0.00097 0.01256 -0.00321 89 4XZ -0.00097 -0.00390 0.00002 0.00373 -0.00104 90 4YZ 0.00623 0.00117 -0.00061 -0.00668 0.00472 91 7 H 1S -0.06317 0.03396 -0.00202 0.10612 -0.04110 92 2S -0.04879 0.04834 -0.00128 0.09710 -0.03822 93 8 H 1S 0.01823 0.09435 -0.01200 -0.10500 0.05375 94 2S 0.01893 0.09527 -0.02100 -0.08264 0.05287 95 9 H 1S -0.01417 0.08858 -0.01513 0.10560 -0.05343 96 2S -0.01375 0.09022 -0.02341 0.08345 -0.05256 97 10 H 1S 0.07010 0.03346 0.00447 -0.10552 0.03975 98 2S 0.05743 0.04886 0.00431 -0.09645 0.03666 99 11 O 1S -0.00789 -0.02433 0.00030 -0.00003 0.00223 100 2S 0.01502 0.05077 -0.00351 0.00053 -0.00383 101 2PX -0.06783 0.01666 0.05208 0.03561 -0.11114 102 2PY -0.06267 -0.23632 0.00138 -0.00537 0.02121 103 2PZ -0.00726 0.02210 0.05895 -0.25012 0.00616 104 3S 0.03652 0.08532 0.01342 -0.00466 -0.01419 105 3PX -0.03918 0.01117 0.03420 0.02268 -0.06970 106 3PY -0.03534 -0.13906 0.00569 -0.00380 0.01026 107 3PZ -0.00321 0.01380 0.03541 -0.15809 0.00218 108 4XX -0.00062 0.00222 -0.00062 0.00107 -0.00038 109 4YY -0.00410 -0.01375 -0.00100 0.00013 0.00198 110 4ZZ 0.00010 0.00241 -0.00093 -0.00080 0.00025 111 4XY -0.00511 0.00078 0.00379 0.00239 -0.00751 112 4XZ 0.00012 -0.00047 0.00033 -0.00169 -0.00008 113 4YZ -0.00037 0.00176 0.00397 -0.01690 0.00033 114 12 O 1S 0.00460 -0.02598 0.00064 -0.00009 -0.00198 115 2S -0.00821 0.05394 -0.00407 -0.00045 0.00339 116 2PX 0.06572 0.04603 0.05489 -0.03091 0.10772 117 2PY -0.03760 0.24728 -0.00759 -0.00155 0.01073 118 2PZ 0.00501 0.03409 0.05082 0.25263 -0.00567 119 3S -0.02425 0.09292 0.01135 0.00575 0.01302 120 3PX 0.03827 0.02949 0.03543 -0.01975 0.06729 121 3PY -0.02089 0.14513 -0.00937 -0.00164 0.00386 122 3PZ 0.00190 0.02140 0.03027 0.15956 -0.00194 123 4XX 0.00029 0.00215 -0.00100 -0.00082 -0.00047 124 4YY 0.00290 -0.01464 -0.00035 -0.00055 -0.00095 125 4ZZ 0.00011 0.00241 -0.00094 0.00076 -0.00026 126 4XY -0.00499 -0.00293 -0.00402 0.00213 -0.00735 127 4XZ -0.00020 -0.00046 0.00004 0.00061 0.00011 128 4YZ -0.00019 -0.00254 -0.00343 -0.01722 0.00031 129 13 C 1S -0.00104 -0.01495 -0.00255 -0.00005 0.00044 130 2S 0.00208 0.02966 0.00969 0.00006 -0.00084 131 2PX -0.00966 -0.09229 -0.11068 -0.00013 0.01703 132 2PY 0.04225 -0.00316 0.00799 0.07776 0.34922 133 2PZ -0.00169 0.08901 0.25644 0.00218 -0.00320 134 3S 0.00622 0.09810 0.00742 0.00054 -0.00231 135 3PX -0.00609 -0.06021 -0.04818 -0.00050 0.00980 136 3PY 0.00092 0.00107 0.00363 0.03496 0.19400 137 3PZ 0.00010 0.06463 0.11606 0.00124 -0.00122 138 4XX -0.00077 0.00036 0.00048 -0.00051 -0.00073 139 4YY 0.00034 0.00031 0.01457 0.00056 0.00050 140 4ZZ 0.00021 -0.00367 -0.01994 -0.00016 0.00040 141 4XY -0.00500 0.00044 0.00046 -0.00516 -0.01048 142 4XZ -0.00020 -0.00377 0.00308 -0.00001 0.00028 143 4YZ 0.00815 -0.00048 0.00020 0.00088 0.00775 144 14 H 1S -0.00661 -0.02334 -0.00737 -0.00164 0.00041 145 2S -0.00608 -0.02629 -0.00478 -0.00131 0.00033 146 15 H 1S 0.00200 -0.04385 -0.18277 -0.00133 0.00298 147 2S 0.00164 -0.03147 -0.16660 -0.00097 0.00315 148 16 C 1S 0.02745 0.00027 -0.00603 -0.00012 -0.00257 149 2S -0.06041 0.00772 0.00921 -0.00352 -0.00138 150 2PX 0.06638 0.00052 0.14091 0.01859 -0.17006 151 2PY -0.21136 0.12617 -0.01899 -0.10375 -0.17790 152 2PZ -0.15775 0.01364 -0.20114 0.03307 0.16046 153 3S -0.11680 -0.03787 0.03294 0.01800 0.05476 154 3PX 0.02873 -0.01186 0.05963 0.00683 -0.07260 155 3PY -0.08294 0.01060 -0.00200 -0.02143 -0.04236 156 3PZ -0.06728 -0.00276 -0.06956 0.03666 0.06958 157 4XX -0.00181 0.00178 0.00052 -0.00371 -0.00779 158 4YY 0.01491 -0.00413 0.01239 0.00643 0.00757 159 4ZZ -0.00548 0.00218 -0.01212 -0.00292 0.00093 160 4XY -0.00225 0.00645 0.00403 -0.00248 -0.00796 161 4XZ 0.00173 0.00095 0.00566 -0.00077 0.00341 162 4YZ -0.00157 -0.00438 0.00032 0.00252 0.00768 163 17 H 1S 0.13315 -0.08094 0.06913 0.06588 0.08440 164 2S 0.12587 -0.07448 0.06256 0.06696 0.08064 165 18 C 1S 0.00905 0.00808 0.01165 0.00381 0.00574 166 2S -0.02660 -0.02166 -0.02631 -0.00537 -0.00167 167 2PX -0.07900 -0.01219 -0.00654 0.01227 0.03160 168 2PY -0.03103 -0.12691 0.19207 -0.00290 -0.00252 169 2PZ 0.22879 0.00579 0.19236 0.00772 -0.14276 170 3S -0.00909 -0.00607 -0.05053 -0.04797 -0.09463 171 3PX -0.01605 -0.00095 -0.00075 0.00221 -0.00285 172 3PY -0.01634 -0.03592 0.07843 -0.01109 -0.05012 173 3PZ 0.05302 -0.01179 0.08583 0.02758 -0.01848 174 4XX 0.00024 0.00178 0.00305 0.00006 -0.00123 175 4YY 0.00933 -0.00500 0.00388 0.00275 0.00159 176 4ZZ -0.00363 0.00663 -0.00591 -0.00211 -0.00093 177 4XY 0.00571 0.00169 0.00138 -0.00164 -0.00411 178 4XZ -0.00122 -0.00400 -0.00068 0.00006 0.00480 179 4YZ -0.01515 -0.00281 0.00087 0.00125 0.01437 180 19 H 1S 0.13644 0.04954 0.00389 -0.00491 -0.09694 181 2S 0.13416 0.05879 0.01001 -0.01713 -0.11420 182 20 C 1S -0.02780 0.00408 -0.00657 -0.00003 0.00262 183 2S 0.06215 -0.00181 0.01042 0.00381 0.00110 184 2PX -0.08202 -0.00211 0.14458 -0.02015 0.15305 185 2PY -0.22012 -0.09289 0.00176 -0.10120 -0.18664 186 2PZ 0.15848 -0.00779 -0.20278 -0.03739 -0.15457 187 3S 0.11328 -0.05157 0.03468 -0.01786 -0.05451 188 3PX -0.03678 -0.01312 0.06031 -0.00628 0.06775 189 3PY -0.08163 0.00152 -0.00504 -0.02026 -0.04596 190 3PZ 0.06617 -0.00956 -0.06968 -0.03816 -0.06811 191 4XX 0.00124 0.00097 0.00005 0.00328 0.00673 192 4YY -0.01490 -0.00124 0.01254 -0.00564 -0.00702 193 4ZZ 0.00578 0.00097 -0.01197 0.00252 -0.00046 194 4XY -0.00390 -0.00588 -0.00337 -0.00318 -0.00874 195 4XZ -0.00194 0.00158 0.00548 0.00095 -0.00296 196 4YZ -0.00039 0.00452 -0.00060 0.00256 0.00788 197 21 H 1S -0.14187 -0.06021 0.06564 -0.06289 -0.08525 198 2S -0.13365 -0.05278 0.05942 -0.06408 -0.08193 199 22 C 1S -0.00795 0.01048 0.01104 -0.00340 -0.00630 200 2S 0.02378 -0.02771 -0.02529 0.00433 0.00283 201 2PX 0.07702 -0.01472 -0.02127 -0.01298 -0.03222 202 2PY -0.01508 0.12935 -0.19158 -0.00676 0.00222 203 2PZ -0.22593 0.03479 0.19222 -0.00321 0.13629 204 3S 0.00768 -0.01457 -0.04693 0.04693 0.09775 205 3PX 0.01533 -0.00200 -0.00677 -0.00340 -0.00107 206 3PY -0.01081 0.03772 -0.07973 -0.01268 -0.04859 207 3PZ -0.05353 -0.00422 0.08546 -0.02561 0.01505 208 4XX 0.00061 0.00154 0.00282 -0.00014 0.00059 209 4YY -0.01049 -0.00333 0.00391 -0.00245 -0.00118 210 4ZZ 0.00449 0.00599 -0.00581 0.00194 0.00101 211 4XY 0.00457 -0.00292 -0.00138 -0.00185 -0.00417 212 4XZ -0.00047 -0.00349 -0.00079 -0.00002 -0.00362 213 4YZ -0.01471 0.00477 -0.00061 0.00122 0.01461 214 23 H 1S -0.12745 0.06463 0.00507 0.00473 0.09553 215 2S -0.12468 0.07503 0.01092 0.01720 0.11237 41 42 43 44 45 O O O O O Eigenvalues -- -0.32992 -0.29024 -0.26555 -0.25421 -0.24546 1 1 C 1S 0.00188 0.00081 -0.01586 -0.01939 -0.00816 2 2S 0.00043 -0.00404 0.03243 0.04143 0.02654 3 2PX 0.02922 0.22482 0.04530 0.07338 0.04204 4 2PY 0.00191 -0.00889 -0.02236 -0.14574 0.01987 5 2PZ 0.06126 0.26934 -0.04647 -0.07012 0.00302 6 3S -0.02713 0.00748 0.11174 0.12866 0.03214 7 3PX 0.00962 0.15962 0.02860 0.04537 0.01345 8 3PY 0.00216 -0.00551 0.02530 -0.06733 0.01506 9 3PZ 0.03700 0.18604 -0.01933 -0.04261 0.01054 10 4XX 0.00115 0.00182 -0.00068 0.00208 0.00010 11 4YY 0.00045 -0.00100 -0.00165 -0.00331 0.00203 12 4ZZ -0.00042 -0.00077 -0.00008 0.00117 -0.00147 13 4XY 0.00037 0.01071 -0.00445 0.00131 -0.00127 14 4XZ -0.00126 0.00043 -0.00088 -0.00206 -0.00023 15 4YZ 0.00027 0.01258 0.00184 -0.00156 0.00364 16 2 C 1S -0.00702 0.00015 -0.00735 0.00118 -0.00354 17 2S 0.01661 0.00112 0.01935 -0.00139 0.01481 18 2PX 0.07307 -0.02621 -0.01269 -0.05330 0.00136 19 2PY 0.00044 -0.00172 0.02204 0.00266 0.01645 20 2PZ 0.04607 -0.03345 0.03016 0.04633 0.02408 21 3S 0.01509 -0.00654 0.01418 -0.00632 -0.01098 22 3PX 0.03795 -0.01900 0.00990 0.03564 -0.01788 23 3PY 0.03750 -0.00726 0.01621 0.00288 0.01326 24 3PZ 0.03637 -0.02950 0.01193 -0.03195 0.01376 25 4XX -0.00826 -0.00931 -0.00924 -0.00135 0.00833 26 4YY 0.00378 -0.00030 0.00322 0.00186 -0.00432 27 4ZZ 0.00255 0.00982 0.00584 0.00005 -0.00318 28 4XY -0.00549 0.01273 -0.01935 -0.02314 0.00558 29 4XZ -0.00303 0.00042 -0.00364 0.00081 -0.00170 30 4YZ -0.00988 0.01468 -0.00058 0.02305 0.00913 31 3 C 1S -0.00041 0.00389 0.01895 0.01214 -0.01488 32 2S 0.01048 -0.00946 -0.03046 -0.02500 0.02643 33 2PX -0.13091 -0.04810 -0.09064 0.14680 0.18357 34 2PY 0.07339 0.02660 0.01704 0.11434 -0.09582 35 2PZ -0.06530 -0.04138 -0.18662 -0.01129 0.14201 36 3S -0.02196 -0.01638 -0.15135 -0.09090 0.07259 37 3PX -0.06938 -0.02734 -0.07911 0.10728 0.14685 38 3PY 0.03058 0.01763 -0.02983 0.04616 -0.09016 39 3PZ -0.06592 -0.00734 -0.13033 -0.00254 0.11321 40 4XX -0.00160 -0.00093 -0.00528 -0.00190 0.00036 41 4YY 0.00358 -0.00025 0.00284 0.00480 -0.00079 42 4ZZ -0.00253 0.00068 0.00204 -0.00189 -0.00022 43 4XY -0.00254 -0.00029 0.00388 0.00300 0.00534 44 4XZ -0.00494 -0.00036 -0.00712 0.00088 -0.00163 45 4YZ -0.00336 0.00060 0.01086 0.00013 0.00582 46 4 C 1S -0.00081 0.00353 -0.01474 0.00963 -0.02861 47 2S 0.01142 -0.00815 0.02214 -0.02035 0.05170 48 2PX -0.13019 -0.04776 0.06218 0.12730 0.15158 49 2PY -0.06723 -0.02414 -0.00397 -0.11817 0.10416 50 2PZ -0.05537 -0.03644 0.15654 -0.00428 0.18844 51 3S -0.02189 -0.01858 0.13005 -0.07024 0.18422 52 3PX -0.06819 -0.02589 0.05455 0.09501 0.12740 53 3PY -0.02557 -0.01515 -0.04569 -0.05526 0.06073 54 3PZ -0.05984 -0.00683 0.11013 0.00222 0.14427 55 4XX -0.00101 -0.00066 0.00526 -0.00231 -0.00046 56 4YY 0.00331 -0.00027 -0.00285 0.00484 -0.00158 57 4ZZ -0.00269 0.00060 -0.00183 -0.00224 -0.00172 58 4XY 0.00307 0.00035 0.00437 -0.00339 -0.00783 59 4XZ -0.00425 -0.00012 0.00799 0.00053 -0.00209 60 4YZ 0.00420 -0.00029 0.01100 0.00015 -0.00274 61 5 C 1S -0.00675 0.00024 0.00811 0.00089 -0.00344 62 2S 0.01608 0.00055 -0.02245 -0.00028 0.01578 63 2PX 0.07242 -0.02782 0.01113 -0.04348 0.03983 64 2PY -0.00359 0.00357 0.02446 -0.00019 -0.01599 65 2PZ 0.04395 -0.03645 -0.03115 0.03870 -0.00858 66 3S 0.01379 -0.00390 -0.01136 -0.00801 -0.02196 67 3PX 0.03432 -0.01934 -0.00599 0.03619 -0.01669 68 3PY -0.03984 0.00677 0.02078 -0.00382 -0.00394 69 3PZ 0.03544 -0.03127 -0.01297 -0.03297 0.01083 70 4XX -0.00739 -0.01042 0.00609 0.00128 0.00856 71 4YY 0.00317 0.00101 -0.00047 -0.00072 -0.00371 72 4ZZ 0.00226 0.00962 -0.00551 -0.00002 -0.00416 73 4XY 0.00591 -0.01238 -0.01790 0.02111 -0.01788 74 4XZ -0.00216 -0.00039 0.00412 -0.00073 -0.00195 75 4YZ 0.00970 -0.01472 0.00044 -0.02127 -0.00077 76 6 C 1S 0.00206 0.00106 0.01619 -0.01673 0.00644 77 2S 0.00002 -0.00437 -0.03508 0.03590 -0.00362 78 2PX 0.02726 0.22327 -0.05865 0.07267 -0.00586 79 2PY -0.00366 -0.00430 -0.01481 0.13730 -0.03936 80 2PZ 0.06219 0.26897 0.03366 -0.06299 0.04156 81 3S -0.02806 0.00371 -0.10869 0.11047 -0.07248 82 3PX 0.00813 0.15741 -0.03273 0.04503 -0.00887 83 3PY -0.00274 -0.00245 0.02736 0.06647 0.00333 84 3PZ 0.03754 0.18589 0.00956 -0.03999 0.02579 85 4XX 0.00109 0.00056 0.00013 0.00202 0.00060 86 4YY 0.00052 0.00009 0.00166 -0.00289 0.00341 87 4ZZ -0.00038 -0.00057 0.00021 0.00129 -0.00100 88 4XY -0.00058 -0.01100 -0.00387 -0.00245 -0.00204 89 4XZ -0.00126 -0.00031 0.00117 -0.00200 -0.00035 90 4YZ -0.00014 -0.01265 0.00256 0.00230 -0.00087 91 7 H 1S 0.00868 0.00161 -0.02217 0.01617 -0.02108 92 2S 0.00895 0.00103 -0.04031 -0.01549 -0.03229 93 8 H 1S -0.00863 0.00291 0.08487 -0.01545 0.00817 94 2S -0.01434 0.02247 0.10245 0.00777 0.00286 95 9 H 1S -0.01452 -0.00017 -0.08241 -0.01846 -0.01383 96 2S -0.01960 0.01806 -0.09698 0.00165 -0.03663 97 10 H 1S 0.00967 0.00203 0.02354 0.02136 0.00201 98 2S 0.00986 0.00135 0.04205 -0.00581 0.01397 99 11 O 1S -0.00128 -0.00002 -0.00028 0.00005 -0.00025 100 2S -0.00276 0.00280 -0.00228 -0.00216 -0.00303 101 2PX 0.12776 -0.12981 0.24630 0.30423 -0.10122 102 2PY -0.00370 0.02953 -0.03391 -0.02500 -0.00740 103 2PZ 0.12318 -0.17524 0.01729 -0.29374 -0.06657 104 3S 0.03477 -0.00917 0.01365 0.00738 0.01620 105 3PX 0.08658 -0.09385 0.17836 0.21757 -0.07406 106 3PY 0.00724 0.01770 -0.01960 -0.01511 0.00227 107 3PZ 0.08345 -0.12420 0.01295 -0.21091 -0.05366 108 4XX -0.00175 -0.00159 0.00001 0.00158 -0.00110 109 4YY -0.00231 0.00259 -0.00276 -0.00192 -0.00031 110 4ZZ -0.00159 0.00129 -0.00003 -0.00156 -0.00161 111 4XY 0.00779 -0.00644 0.01001 0.01037 -0.00408 112 4XZ 0.00091 -0.00120 0.00022 -0.00093 -0.00101 113 4YZ 0.00691 -0.00866 0.00184 -0.01044 -0.00252 114 12 O 1S -0.00121 0.00000 0.00055 0.00007 -0.00015 115 2S -0.00284 0.00273 0.00238 -0.00207 -0.00241 116 2PX 0.12313 -0.13702 -0.21997 0.28296 -0.22869 117 2PY -0.00648 -0.02122 -0.02008 0.00600 0.01092 118 2PZ 0.11789 -0.17785 -0.00893 -0.27422 0.02504 119 3S 0.03442 -0.00886 -0.01853 0.00676 0.01222 120 3PX 0.08278 -0.09874 -0.15859 0.20169 -0.16823 121 3PY -0.01400 -0.01165 -0.00779 0.00155 0.00102 122 3PZ 0.07984 -0.12583 -0.00613 -0.19656 0.01351 123 4XX -0.00260 -0.00085 0.00138 0.00039 -0.00063 124 4YY -0.00131 0.00184 0.00174 -0.00072 -0.00032 125 4ZZ -0.00163 0.00126 0.00031 -0.00144 -0.00122 126 4XY -0.00754 0.00701 0.00902 -0.00991 0.00825 127 4XZ 0.00045 -0.00064 0.00009 -0.00029 -0.00087 128 4YZ -0.00666 0.00891 0.00143 0.00990 -0.00021 129 13 C 1S -0.00277 -0.00156 -0.00212 0.00786 0.02081 130 2S -0.00392 0.00885 0.00557 -0.02610 -0.05285 131 2PX -0.15548 -0.02662 -0.00491 0.03223 0.06757 132 2PY 0.00490 0.00093 -0.00175 0.00030 -0.00118 133 2PZ -0.15113 -0.01000 0.00624 -0.00252 -0.03644 134 3S 0.06625 -0.01713 0.00548 -0.00013 -0.07093 135 3PX -0.10370 -0.00846 0.00103 -0.00803 -0.00561 136 3PY 0.00312 0.00020 -0.01845 0.00141 -0.00031 137 3PZ -0.03076 -0.01986 -0.00077 0.01220 0.00999 138 4XX -0.02133 -0.00298 -0.00055 0.00247 0.00495 139 4YY 0.00259 0.00176 0.00104 -0.00257 -0.00576 140 4ZZ 0.01659 0.00201 -0.00073 -0.00063 0.00317 141 4XY 0.00103 0.00009 -0.00985 -0.00001 -0.00035 142 4XZ -0.01010 -0.00168 -0.00060 0.00243 0.00392 143 4YZ 0.00002 -0.00007 -0.00867 0.00013 -0.00011 144 14 H 1S -0.15992 -0.02337 0.00029 0.01900 0.03002 145 2S -0.16256 -0.03015 -0.00362 0.04034 0.08225 146 15 H 1S 0.11981 0.01158 -0.00331 -0.00397 0.01064 147 2S 0.14493 0.00649 -0.00729 0.00454 0.04405 148 16 C 1S 0.00073 -0.00370 0.01327 0.00586 0.01212 149 2S 0.00701 0.01389 -0.02604 -0.01050 -0.02468 150 2PX 0.12816 0.03133 0.20068 -0.01619 -0.04938 151 2PY -0.00376 -0.00795 -0.05049 -0.00510 -0.00739 152 2PZ 0.08906 0.01645 0.16705 0.00962 0.00457 153 3S -0.05477 0.00441 -0.04835 -0.05015 -0.06413 154 3PX 0.06264 0.04666 0.12843 -0.01797 -0.01838 155 3PY -0.04172 -0.00075 0.00234 -0.00243 -0.02108 156 3PZ 0.04668 0.01100 0.13817 0.01210 -0.00216 157 4XX -0.01062 -0.00198 -0.00749 0.00024 0.00321 158 4YY 0.00032 0.00227 0.00361 -0.00154 -0.00685 159 4ZZ 0.00795 0.00031 0.00254 0.00299 0.00905 160 4XY 0.00319 0.00021 0.00116 -0.00116 -0.00045 161 4XZ 0.00100 -0.00274 -0.00175 0.00378 0.01459 162 4YZ 0.00039 0.00022 0.00290 -0.00027 -0.00027 163 17 H 1S 0.00321 0.01333 0.02689 -0.00632 -0.02789 164 2S -0.00030 0.00242 0.07579 0.02186 -0.04238 165 18 C 1S -0.00728 0.00153 -0.00445 -0.00074 -0.00086 166 2S 0.01696 -0.00953 0.02066 0.00114 -0.00316 167 2PX 0.22298 -0.02227 0.08891 0.06212 0.26545 168 2PY -0.02852 -0.00788 -0.01629 -0.00632 -0.02068 169 2PZ 0.02450 -0.02642 -0.02780 0.01700 0.09834 170 3S 0.02717 0.00727 -0.08237 0.00676 0.02718 171 3PX 0.13789 -0.03173 0.04781 0.04461 0.19802 172 3PY -0.01478 0.00415 -0.05381 -0.00519 -0.01728 173 3PZ 0.01401 -0.02003 0.03306 0.01674 0.07004 174 4XX 0.00242 0.00137 0.00356 0.00035 0.00039 175 4YY -0.00008 -0.00107 0.00081 -0.00030 -0.00205 176 4ZZ -0.00301 -0.00155 -0.00505 -0.00057 -0.00027 177 4XY 0.00654 -0.00201 -0.00976 0.00245 0.01073 178 4XZ -0.00562 -0.00082 -0.00565 0.00061 0.00287 179 4YZ 0.00327 -0.00025 0.00171 0.00117 0.00527 180 19 H 1S -0.01607 -0.00766 -0.02923 -0.00286 -0.00605 181 2S -0.00262 -0.00118 -0.04609 -0.00741 -0.01377 182 20 C 1S 0.00079 -0.00413 -0.01463 0.00650 0.01240 183 2S 0.00661 0.01448 0.02823 -0.01178 -0.02550 184 2PX 0.11969 0.02546 -0.20206 -0.00534 -0.04214 185 2PY -0.00203 0.00452 -0.04000 0.00849 0.01750 186 2PZ 0.07817 0.01109 -0.17037 0.01437 0.00058 187 3S -0.05642 0.00753 0.05845 -0.05225 -0.06297 188 3PX 0.06121 0.04171 -0.13161 -0.00947 -0.00744 189 3PY 0.03906 -0.00337 0.00295 0.00632 0.03402 190 3PZ 0.04017 0.00771 -0.13951 0.01632 -0.00690 191 4XX -0.01063 -0.00174 0.00700 0.00044 0.00377 192 4YY 0.00075 0.00213 -0.00212 -0.00156 -0.00644 193 4ZZ 0.00778 0.00024 -0.00459 0.00286 0.00817 194 4XY -0.00208 0.00015 0.00055 0.00084 -0.00021 195 4XZ 0.00127 -0.00265 -0.00122 0.00375 0.01450 196 4YZ -0.00040 0.00008 0.00306 -0.00016 -0.00076 197 21 H 1S 0.00384 0.01208 -0.02094 -0.00474 -0.02236 198 2S -0.00010 0.00071 -0.06475 0.02148 -0.05072 199 22 C 1S -0.00663 0.00159 0.00478 -0.00061 0.00021 200 2S 0.01479 -0.00957 -0.02034 0.00091 -0.00673 201 2PX 0.21849 -0.02436 -0.15408 0.06644 0.26336 202 2PY 0.01151 0.00975 -0.00722 0.00160 -0.00053 203 2PZ 0.03190 -0.02480 0.00349 0.01923 0.10591 204 3S 0.02962 0.00684 0.07522 0.00588 0.03459 205 3PX 0.13592 -0.03271 -0.09699 0.04758 0.19769 206 3PY 0.00266 -0.00239 -0.04850 0.00164 -0.00439 207 3PZ 0.01479 -0.01926 -0.04919 0.01799 0.06657 208 4XX 0.00139 0.00146 -0.00487 0.00020 -0.00111 209 4YY 0.00106 -0.00125 0.00040 0.00009 -0.00030 210 4ZZ -0.00303 -0.00138 0.00556 -0.00080 -0.00036 211 4XY -0.00705 0.00159 -0.00697 -0.00221 -0.01093 212 4XZ -0.00560 -0.00064 0.00558 0.00031 0.00256 213 4YZ -0.00234 0.00047 0.00266 -0.00110 -0.00503 214 23 H 1S -0.01186 -0.00603 0.03170 -0.00282 -0.00313 215 2S 0.00223 0.00042 0.04960 -0.00699 -0.00634 46 47 48 49 50 O V V V V Eigenvalues -- -0.24054 -0.08383 -0.03335 -0.01386 0.05189 1 1 C 1S -0.03061 -0.00001 0.00306 0.00619 -0.00101 2 2S 0.06130 -0.00074 -0.01534 -0.02896 0.00817 3 2PX 0.09611 0.17501 -0.07161 0.06834 -0.08208 4 2PY -0.04353 -0.00736 0.00905 0.01614 0.00826 5 2PZ -0.08193 0.20186 -0.06773 0.11246 -0.07801 6 3S 0.22395 0.00459 0.02880 0.12120 0.03295 7 3PX 0.04542 0.20309 -0.04790 0.17155 -0.11818 8 3PY 0.03418 -0.01861 0.00613 0.11077 0.00122 9 3PZ -0.03249 0.22530 -0.05768 0.11199 -0.11458 10 4XX -0.00170 0.00660 0.01036 -0.00157 0.01363 11 4YY -0.00266 0.00133 -0.00086 -0.00161 0.00275 12 4ZZ -0.00135 -0.00778 -0.01034 0.00215 -0.01467 13 4XY -0.00785 -0.01212 -0.00703 -0.00187 -0.01042 14 4XZ 0.00103 0.00106 0.00223 -0.00049 0.00186 15 4YZ 0.00602 -0.01294 -0.00745 -0.00581 -0.00895 16 2 C 1S 0.00484 -0.00002 -0.00515 -0.00269 0.00395 17 2S -0.01834 0.00487 0.01550 -0.00382 -0.01511 18 2PX -0.10042 0.14861 0.14246 -0.03038 0.19123 19 2PY -0.00808 -0.01909 -0.00403 0.00978 -0.03445 20 2PZ 0.08019 0.18304 0.13154 -0.07338 0.28921 21 3S 0.02921 -0.03586 0.03203 0.06285 0.01001 22 3PX -0.00361 0.10521 0.15138 -0.03558 0.25377 23 3PY 0.01105 -0.02122 -0.01881 -0.16416 -0.07577 24 3PZ 0.00569 0.13190 0.12408 -0.04368 0.31114 25 4XX -0.00233 -0.00706 0.00438 -0.01597 -0.00114 26 4YY 0.00261 -0.00285 -0.00073 0.00229 0.00112 27 4ZZ 0.00004 0.00990 -0.00255 0.01297 0.00091 28 4XY -0.02144 0.01528 0.00972 0.00019 0.00683 29 4XZ 0.00297 -0.00047 0.00180 0.00460 0.00273 30 4YZ 0.02168 0.01832 0.00985 -0.00455 0.00628 31 3 C 1S 0.03406 -0.00680 -0.01020 0.03275 0.02113 32 2S -0.06367 0.00878 0.02740 -0.06859 -0.03580 33 2PX 0.12520 0.03693 0.06165 -0.19575 -0.16762 34 2PY 0.05041 -0.01690 -0.00871 0.04857 0.05166 35 2PZ -0.05850 0.02095 0.05819 -0.15898 -0.10093 36 3S -0.26802 0.05268 -0.00641 -0.08736 -0.21772 37 3PX 0.08467 0.03914 0.10552 -0.32918 -0.23661 38 3PY -0.03229 -0.00439 0.03489 0.16685 0.11154 39 3PZ -0.03945 0.06835 0.12277 -0.13920 -0.10912 40 4XX 0.00220 -0.01096 -0.01786 0.00487 -0.01058 41 4YY 0.00268 0.00050 0.00211 0.00160 0.00045 42 4ZZ 0.00430 0.00656 0.01060 0.00176 0.01557 43 4XY -0.01101 -0.00122 0.00687 0.00784 -0.01780 44 4XZ 0.00515 -0.00607 -0.01523 0.00337 0.00371 45 4YZ 0.00098 -0.00126 0.00549 0.00753 -0.01480 46 4 C 1S -0.02728 0.00674 -0.01669 -0.02889 0.02075 47 2S 0.05236 -0.00876 0.04272 0.05904 -0.03289 48 2PX -0.19418 -0.03949 0.11062 0.18413 -0.18560 49 2PY 0.03372 -0.01648 0.01387 0.03704 -0.04858 50 2PZ -0.00072 -0.02202 0.09562 0.14487 -0.11121 51 3S 0.22702 -0.05053 0.00079 0.08137 -0.22981 52 3PX -0.14540 -0.03915 0.17428 0.30983 -0.25151 53 3PY -0.04891 -0.00245 -0.00803 0.15464 -0.09265 54 3PZ -0.00799 -0.07003 0.14464 0.11013 -0.14681 55 4XX -0.00294 0.01105 -0.01858 0.00002 -0.00665 56 4YY -0.00170 -0.00024 0.00199 -0.00281 -0.00181 57 4ZZ -0.00379 -0.00668 0.00994 -0.00431 0.01467 58 4XY -0.00835 -0.00189 -0.00349 0.00849 0.01777 59 4XZ -0.00415 0.00618 -0.01538 0.00032 0.00557 60 4YZ 0.00281 -0.00142 -0.00269 0.00798 0.01397 61 5 C 1S -0.00368 0.00005 -0.00436 0.00359 0.00336 62 2S 0.01294 -0.00526 0.01486 0.00043 -0.01315 63 2PX 0.09509 -0.15003 0.13901 -0.00450 0.18203 64 2PY -0.00848 -0.00923 -0.00321 0.00834 0.01875 65 2PZ -0.08708 -0.18091 0.13615 0.03616 0.27303 66 3S -0.02274 0.03725 0.02427 -0.06736 0.01554 67 3PX 0.00695 -0.10611 0.14943 -0.01455 0.25083 68 3PY 0.01359 -0.01539 -0.02599 -0.16412 0.03111 69 3PZ -0.00774 -0.13019 0.12338 0.00883 0.29023 70 4XX -0.00338 0.00862 0.00718 0.01498 -0.00480 71 4YY 0.00129 0.00123 -0.00013 -0.00245 0.00252 72 4ZZ 0.00137 -0.00992 -0.00584 -0.01221 0.00311 73 4XY -0.01900 0.01499 -0.00972 0.00105 -0.00657 74 4XZ -0.00072 0.00161 0.00026 -0.00507 0.00119 75 4YZ 0.02562 0.01826 -0.01035 -0.00199 -0.00589 76 6 C 1S 0.03251 -0.00015 0.00158 -0.00657 -0.00120 77 2S -0.06882 0.00156 -0.00892 0.03094 0.01098 78 2PX -0.10986 -0.17475 -0.09030 -0.04923 -0.05156 79 2PY -0.03810 0.00231 -0.00055 0.02059 -0.00444 80 2PZ 0.08190 -0.20159 -0.09720 -0.09410 -0.04303 81 3S -0.22726 -0.00454 0.00368 -0.12531 0.01095 82 3PX -0.04695 -0.20481 -0.08786 -0.14783 -0.07958 83 3PY 0.03373 -0.00644 0.02075 0.11838 0.01723 84 3PZ 0.03118 -0.22499 -0.08724 -0.09549 -0.05691 85 4XX 0.00047 -0.00793 0.01076 -0.00133 0.01421 86 4YY 0.00289 -0.00001 -0.00123 0.00198 0.00157 87 4ZZ 0.00169 0.00784 -0.01028 0.00050 -0.01375 88 4XY -0.00746 -0.01156 0.00519 -0.00336 0.01119 89 4XZ -0.00030 -0.00177 0.00261 -0.00042 0.00196 90 4YZ 0.00660 -0.01281 0.00534 -0.00744 0.01060 91 7 H 1S -0.05184 -0.00280 -0.00074 0.00785 -0.00516 92 2S -0.10525 -0.00649 0.00313 0.07140 -0.04581 93 8 H 1S 0.01879 0.02743 0.05541 0.02629 0.01013 94 2S 0.05923 0.07051 0.19134 0.12673 0.13391 95 9 H 1S -0.01736 -0.02854 0.04693 -0.03617 0.00433 96 2S -0.05479 -0.07314 0.15353 -0.16502 0.10579 97 10 H 1S 0.05351 0.00239 -0.00255 -0.00743 -0.00426 98 2S 0.10907 0.00483 -0.01130 -0.06937 -0.04783 99 11 O 1S -0.00004 -0.00077 0.00000 0.00575 0.00058 100 2S 0.00034 0.00294 0.00247 0.00629 0.00423 101 2PX 0.23499 -0.17210 -0.10183 0.01293 -0.13011 102 2PY -0.01107 0.02554 0.01165 -0.00380 0.02516 103 2PZ -0.24909 -0.20342 -0.11020 0.03948 -0.18147 104 3S -0.00108 0.00407 -0.00936 -0.15252 -0.03513 105 3PX 0.17335 -0.15369 -0.11402 0.01525 -0.15004 106 3PY -0.01117 0.02468 0.01107 -0.04815 0.01429 107 3PZ -0.18339 -0.18269 -0.11475 0.04179 -0.20521 108 4XX 0.00164 -0.00197 0.00024 0.00445 0.00270 109 4YY -0.00098 0.00122 0.00065 0.00289 -0.00028 110 4ZZ -0.00067 0.00179 0.00099 0.00941 0.00180 111 4XY 0.00654 -0.00138 -0.00008 -0.00064 0.00197 112 4XZ -0.00027 -0.00095 -0.00030 0.00107 0.00108 113 4YZ -0.00785 -0.00175 0.00017 -0.00121 0.00443 114 12 O 1S 0.00001 0.00074 -0.00109 -0.00549 -0.00048 115 2S 0.00113 -0.00293 0.00111 -0.00696 0.00481 116 2PX -0.19915 0.17387 -0.09780 0.01051 -0.12522 117 2PY -0.00184 0.01409 -0.00497 -0.00111 -0.01810 118 2PZ 0.28222 0.20275 -0.11067 -0.01021 -0.17260 119 3S -0.00416 -0.00357 0.02041 0.14989 -0.01434 120 3PX -0.14660 0.15551 -0.11106 0.00910 -0.14386 121 3PY -0.00149 0.01450 -0.01194 -0.04426 -0.01100 122 3PZ 0.20926 0.18194 -0.11537 -0.01130 -0.19408 123 4XX -0.00073 0.00181 -0.00052 -0.00442 0.00121 124 4YY 0.00059 -0.00109 0.00004 -0.00288 -0.00027 125 4ZZ 0.00132 -0.00182 -0.00096 -0.00940 0.00152 126 4XY 0.00531 -0.00164 0.00010 -0.00041 -0.00197 127 4XZ 0.00011 0.00084 -0.00048 -0.00111 0.00060 128 4YZ -0.00920 -0.00187 -0.00028 -0.00092 -0.00421 129 13 C 1S -0.00391 0.00003 -0.00190 0.00033 -0.02279 130 2S 0.01019 -0.00020 0.01303 -0.00156 0.04768 131 2PX -0.01301 0.00069 -0.03018 -0.00190 -0.02630 132 2PY 0.00767 0.00254 -0.01083 -0.10466 -0.00832 133 2PZ 0.00557 -0.00005 0.03817 -0.00541 -0.01053 134 3S 0.01280 0.00006 -0.01176 -0.00203 0.29561 135 3PX 0.00183 -0.00005 -0.00754 -0.00695 0.03963 136 3PY 0.00664 0.00033 -0.01399 -0.14414 -0.02980 137 3PZ -0.00264 -0.00014 0.10871 -0.01664 0.01788 138 4XX -0.00075 0.00000 -0.02200 0.00249 0.00863 139 4YY 0.00078 0.00017 0.01117 -0.00121 -0.00285 140 4ZZ -0.00039 -0.00020 0.01311 -0.00155 -0.00550 141 4XY 0.00655 -0.00648 0.00169 -0.00155 -0.00188 142 4XZ -0.00062 -0.00011 -0.00156 0.00031 -0.00230 143 4YZ 0.00541 -0.00375 0.00035 0.00179 -0.00034 144 14 H 1S -0.00706 0.00202 -0.10178 0.01168 0.03142 145 2S -0.01797 0.00449 -0.26329 0.03424 -0.02370 146 15 H 1S -0.00100 -0.00078 0.04625 -0.00569 -0.02313 147 2S -0.00722 -0.00193 0.21567 -0.02775 -0.17438 148 16 C 1S -0.01208 0.01573 0.02782 -0.00823 -0.01205 149 2S 0.02255 -0.02949 -0.03587 0.02738 0.02795 150 2PX -0.11433 0.09449 0.27844 -0.06593 -0.14602 151 2PY 0.04783 -0.03238 -0.02709 0.00531 0.00495 152 2PZ -0.07974 0.05997 0.13367 -0.01335 -0.08985 153 3S 0.05072 -0.10782 -0.25823 -0.03444 0.07822 154 3PX -0.09932 0.12807 0.35625 -0.09836 -0.26705 155 3PY 0.03866 -0.03580 -0.07873 -0.01237 -0.05458 156 3PZ -0.07195 0.06197 0.11540 -0.05043 -0.11792 157 4XX 0.00137 0.00238 0.00953 0.00021 -0.00284 158 4YY -0.00126 0.00069 -0.00012 0.00321 0.00357 159 4ZZ -0.00119 0.00052 -0.00018 -0.00926 -0.00336 160 4XY -0.00002 0.00023 -0.00017 0.00071 0.00875 161 4XZ -0.00300 0.00316 -0.00279 -0.02216 -0.00692 162 4YZ -0.00105 -0.00033 -0.00091 0.00059 0.00101 163 17 H 1S -0.01927 0.00728 0.00685 0.02162 0.00212 164 2S -0.00576 0.00325 0.01158 0.04009 -0.08164 165 18 C 1S -0.00057 0.00252 -0.00277 -0.00117 0.00056 166 2S -0.00137 -0.01785 -0.01234 0.00173 -0.00935 167 2PX -0.11493 0.04954 -0.12823 -0.29070 0.05679 168 2PY 0.01192 0.00378 0.00307 0.00817 0.00029 169 2PZ -0.03450 0.01144 -0.05342 -0.13789 0.03034 170 3S 0.02752 0.05642 0.11702 0.04990 0.02813 171 3PX -0.08061 0.02561 -0.17037 -0.37487 0.07472 172 3PY 0.01962 0.02298 -0.00620 0.04421 -0.00252 173 3PZ -0.03268 -0.02069 -0.11287 -0.21092 0.02099 174 4XX -0.00184 0.00285 0.00840 -0.00072 -0.00355 175 4YY -0.00092 0.00028 -0.00095 0.00013 -0.00049 176 4ZZ 0.00299 -0.00471 -0.01045 0.00217 0.00310 177 4XY 0.00268 -0.00280 -0.00737 0.01725 0.01196 178 4XZ 0.00220 -0.00070 -0.00753 0.00139 0.00778 179 4YZ -0.00070 0.00056 -0.00071 0.00814 0.00477 180 19 H 1S 0.00795 -0.01601 -0.01009 -0.00269 -0.00838 181 2S 0.00860 0.00257 -0.03798 0.03231 -0.03035 182 20 C 1S 0.00654 -0.01555 0.02822 0.00218 -0.01788 183 2S -0.01100 0.02901 -0.04129 -0.02046 0.03740 184 2PX 0.13705 -0.10726 0.29180 0.00686 -0.16798 185 2PY 0.03457 -0.02627 0.01139 -0.00095 -0.00310 186 2PZ 0.07914 -0.06501 0.13785 -0.01304 -0.11050 187 3S -0.02154 0.10620 -0.23464 0.09527 0.14488 188 3PX 0.10965 -0.14149 0.37241 0.01396 -0.28585 189 3PY 0.02199 -0.02809 0.04921 -0.03450 0.05102 190 3PZ 0.07288 -0.06583 0.12892 0.02257 -0.14961 191 4XX -0.00275 -0.00255 0.00955 -0.00271 -0.00659 192 4YY 0.00363 -0.00067 -0.00077 -0.00287 0.00480 193 4ZZ -0.00186 -0.00056 0.00157 0.00908 -0.00223 194 4XY 0.00020 0.00022 -0.00015 0.00102 -0.00791 195 4XZ -0.00250 -0.00307 0.00207 0.02196 -0.00522 196 4YZ -0.00104 -0.00018 0.00105 -0.00112 -0.00109 197 21 H 1S 0.02804 -0.00726 0.00148 -0.02029 0.00402 198 2S 0.01948 -0.00311 0.00655 -0.03388 -0.09427 199 22 C 1S 0.00051 -0.00236 -0.00200 0.00179 -0.00010 200 2S 0.00357 0.01793 -0.01268 0.00116 -0.00651 201 2PX 0.01792 -0.04256 -0.07043 0.30867 0.09679 202 2PY 0.00245 0.00653 0.00469 -0.01555 -0.00937 203 2PZ -0.00329 -0.00896 -0.02491 0.14579 0.04549 204 3S -0.03780 -0.05861 0.09457 -0.07555 0.02626 205 3PX 0.00801 -0.01646 -0.09565 0.40371 0.13533 206 3PY 0.01344 0.02474 0.02372 0.01073 -0.01426 207 3PZ 0.00646 0.02400 -0.06761 0.23155 0.05009 208 4XX 0.00263 -0.00354 0.00988 0.00085 -0.00536 209 4YY 0.00079 0.00016 -0.00202 -0.00196 0.00019 210 4ZZ -0.00301 0.00504 -0.01092 0.00029 0.00432 211 4XY 0.00666 -0.00319 0.00981 0.01553 -0.00960 212 4XZ -0.00330 0.00106 -0.00757 0.00093 0.00766 213 4YZ 0.00135 0.00034 0.00287 0.00784 -0.00429 214 23 H 1S -0.00673 0.01616 -0.00898 0.00466 -0.00722 215 2S -0.00504 -0.00148 -0.04328 -0.02254 -0.01970 51 52 53 54 55 V V V V V Eigenvalues -- 0.06863 0.08144 0.11020 0.12150 0.13642 1 1 C 1S -0.00256 -0.02162 0.04597 0.02049 0.00906 2 2S 0.01664 0.04526 -0.06648 -0.03325 -0.01072 3 2PX 0.19278 -0.01768 0.13871 0.11212 -0.00528 4 2PY -0.00843 -0.03819 0.08728 0.06351 0.02126 5 2PZ 0.21894 0.00538 -0.10080 -0.12501 -0.02054 6 3S -0.08628 0.26643 -0.80436 -0.48680 -0.17398 7 3PX 0.25521 -0.07281 0.26608 0.28059 -0.02719 8 3PY -0.07023 -0.12154 0.33085 0.23467 0.07788 9 3PZ 0.37358 0.03028 -0.21928 -0.24359 -0.01520 10 4XX -0.00654 -0.00314 0.00838 0.00042 0.00411 11 4YY 0.00062 0.00381 -0.00368 -0.00076 -0.00067 12 4ZZ 0.00687 -0.00246 0.00502 -0.00115 -0.00203 13 4XY -0.01051 -0.00326 0.01568 0.00904 -0.00358 14 4XZ -0.00240 0.00463 -0.00699 0.00157 0.00014 15 4YZ -0.01168 0.00314 -0.01175 -0.01180 -0.00234 16 2 C 1S -0.00024 -0.00143 0.00729 0.01285 -0.02699 17 2S 0.00051 0.01792 -0.02172 -0.02388 0.05333 18 2PX -0.10769 0.02634 0.02211 0.05272 0.09444 19 2PY 0.01821 -0.01692 0.01702 -0.02552 0.03181 20 2PZ -0.12320 0.01194 -0.02330 -0.00709 0.01317 21 3S 0.01886 -0.10676 0.00036 -0.13760 0.29850 22 3PX -0.08321 0.01143 -0.02734 -0.05895 0.09774 23 3PY 0.13283 0.04774 0.09564 -0.16389 0.11939 24 3PZ -0.13960 0.03703 0.01178 0.10936 0.06883 25 4XX -0.01775 0.00883 -0.00986 -0.00184 -0.00404 26 4YY 0.00225 -0.01577 0.01970 0.00802 -0.00724 27 4ZZ 0.01509 0.00707 -0.00800 -0.00161 0.00432 28 4XY -0.00077 -0.00507 -0.00245 -0.00360 -0.00303 29 4XZ -0.00607 -0.00532 0.00515 -0.00009 -0.00050 30 4YZ -0.00380 0.00046 0.00342 0.00491 0.00031 31 3 C 1S 0.00606 -0.04608 0.02056 -0.02490 -0.00390 32 2S 0.00078 0.06688 -0.05328 0.02703 -0.01508 33 2PX -0.09582 0.05980 0.01814 0.05416 0.01101 34 2PY 0.03284 -0.07151 0.01365 -0.04078 -0.03876 35 2PZ -0.07714 -0.11568 0.00587 -0.08844 -0.12867 36 3S -0.11244 0.67735 -0.19670 0.54561 0.22536 37 3PX -0.11947 0.14695 0.02275 0.04666 0.16089 38 3PY -0.02630 -0.25736 0.07794 -0.21504 -0.09864 39 3PZ -0.26452 -0.27233 0.04905 -0.16572 -0.26945 40 4XX 0.01563 -0.00768 0.00412 -0.00524 0.00719 41 4YY -0.00315 0.00278 -0.00608 0.00233 -0.00577 42 4ZZ -0.00651 -0.00550 0.00274 -0.00170 -0.00388 43 4XY 0.00149 0.00673 -0.00490 0.00418 0.00930 44 4XZ 0.00978 0.00189 -0.00462 -0.00198 -0.00480 45 4YZ 0.00219 -0.00804 0.00232 -0.00199 -0.01389 46 4 C 1S -0.00439 -0.04649 0.02066 -0.02553 -0.01036 47 2S -0.00421 0.06988 -0.05310 0.02893 -0.00303 48 2PX 0.06892 0.06377 0.01490 0.05836 0.02249 49 2PY 0.02484 0.06520 -0.01444 0.03679 0.04268 50 2PZ 0.04912 -0.11638 0.00491 -0.08744 -0.13133 51 3S 0.10764 0.66466 -0.19980 0.54763 0.28540 52 3PX 0.07357 0.16905 0.01448 0.06450 0.20308 53 3PY -0.03254 0.25699 -0.07585 0.21528 0.10450 54 3PZ 0.21821 -0.28746 0.04440 -0.16363 -0.31551 55 4XX -0.01639 -0.00722 0.00458 -0.00548 0.00539 56 4YY 0.00262 0.00322 -0.00652 0.00265 -0.00539 57 4ZZ 0.00830 -0.00611 0.00278 -0.00175 -0.00403 58 4XY 0.00580 -0.00610 0.00412 -0.00364 -0.00995 59 4XZ -0.00793 0.00296 -0.00470 -0.00182 -0.00360 60 4YZ 0.00579 0.00756 -0.00201 0.00205 0.01382 61 5 C 1S 0.00085 -0.00123 0.00739 0.01310 -0.02473 62 2S -0.00191 0.01664 -0.02228 -0.02422 0.04705 63 2PX 0.13869 0.01660 0.02112 0.05177 0.08534 64 2PY 0.01522 0.01489 -0.01775 0.02258 -0.03242 65 2PZ 0.16718 -0.00008 -0.02255 -0.00975 0.00835 66 3S -0.02509 -0.10161 0.00145 -0.14010 0.29718 67 3PX 0.13056 -0.00332 -0.03207 -0.05402 0.08746 68 3PY 0.13479 -0.06454 -0.09184 0.16114 -0.15823 69 3PZ 0.19004 0.02479 0.01287 0.10761 0.06726 70 4XX 0.01725 0.00827 -0.00938 -0.00147 -0.00313 71 4YY -0.00255 -0.01611 0.01920 0.00756 -0.00815 72 4ZZ -0.01411 0.00790 -0.00796 -0.00147 0.00449 73 4XY -0.00281 0.00338 0.00460 0.00428 0.00302 74 4XZ 0.00566 -0.00577 0.00486 -0.00057 -0.00134 75 4YZ -0.00492 0.00021 -0.00373 -0.00494 -0.00033 76 6 C 1S 0.00125 -0.02188 0.04593 0.02009 0.00617 77 2S -0.01219 0.04697 -0.06663 -0.03186 -0.00368 78 2PX -0.20194 -0.00176 0.13198 0.11018 -0.00551 79 2PY 0.00397 0.03924 -0.09580 -0.07037 -0.01676 80 2PZ -0.22664 0.01987 -0.10125 -0.12155 -0.01774 81 3S 0.10069 0.25396 -0.80334 -0.48808 -0.17142 82 3PX -0.27575 -0.05008 0.24319 0.26331 -0.05344 83 3PY -0.04866 0.13246 -0.34597 -0.25003 -0.04523 84 3PZ -0.38451 0.05928 -0.21885 -0.23312 0.01183 85 4XX 0.00737 -0.00332 0.00657 -0.00068 0.00396 86 4YY 0.00094 0.00328 -0.00178 0.00031 -0.00138 87 4ZZ -0.00899 -0.00179 0.00487 -0.00110 -0.00181 88 4XY -0.00907 0.00439 -0.01647 -0.00896 0.00322 89 4XZ 0.00214 0.00440 -0.00610 0.00234 0.00076 90 4YZ -0.01042 -0.00276 0.01215 0.01181 0.00232 91 7 H 1S 0.00032 -0.02616 0.08649 0.04057 0.00391 92 2S -0.03315 -0.31069 1.05598 0.80662 0.12520 93 8 H 1S -0.04218 -0.03782 0.02608 -0.01449 -0.04651 94 2S -0.21771 -0.81401 0.20790 -0.53097 -0.54987 95 9 H 1S 0.03948 -0.04103 0.02601 -0.01495 -0.04817 96 2S 0.18179 -0.83427 0.20489 -0.53581 -0.63946 97 10 H 1S -0.00218 -0.02652 0.08616 0.04052 0.00064 98 2S 0.01267 -0.31545 1.05357 0.79870 0.07438 99 11 O 1S -0.00489 0.00063 -0.01041 0.00410 0.00178 100 2S 0.00402 -0.00828 0.02572 -0.00470 -0.00572 101 2PX 0.05750 -0.00717 0.02386 -0.03347 -0.03363 102 2PY -0.00042 -0.04301 0.05298 0.02192 -0.02319 103 2PZ 0.06446 -0.01549 0.01209 -0.02701 -0.02653 104 3S 0.09112 0.05029 0.09770 -0.08842 0.00846 105 3PX 0.06758 -0.01401 0.00898 -0.02382 -0.05115 106 3PY 0.02158 -0.00226 0.06705 -0.01756 -0.01512 107 3PZ 0.08050 -0.01470 0.01110 -0.02452 -0.02509 108 4XX -0.00668 -0.00169 -0.00087 0.00418 -0.00081 109 4YY -0.00016 0.00387 -0.00129 -0.00471 0.00203 110 4ZZ 0.00021 -0.00273 -0.00014 0.00142 -0.00020 111 4XY -0.00133 0.00233 0.00244 0.00220 0.00276 112 4XZ -0.00095 0.00039 -0.00133 -0.00089 0.00105 113 4YZ -0.00228 0.00000 -0.00136 -0.00255 -0.00051 114 12 O 1S 0.00494 0.00019 -0.01026 0.00386 0.00044 115 2S -0.00339 -0.00835 0.02547 -0.00455 -0.00351 116 2PX -0.07689 0.00115 0.02015 -0.03341 -0.02620 117 2PY 0.00294 0.04328 -0.05413 -0.02000 0.02568 118 2PZ -0.09184 -0.00927 0.01155 -0.02520 -0.02597 119 3S -0.09408 0.06068 0.09559 -0.08327 0.03234 120 3PX -0.08888 -0.00700 0.00423 -0.02052 -0.04606 121 3PY 0.02532 0.00071 -0.06671 0.01746 0.01083 122 3PZ -0.11146 -0.00707 0.01054 -0.02274 -0.02369 123 4XX 0.00675 -0.00253 -0.00106 0.00369 -0.00177 124 4YY 0.00061 0.00389 -0.00102 -0.00443 0.00288 125 4ZZ 0.00007 -0.00289 -0.00008 0.00127 -0.00055 126 4XY -0.00231 -0.00171 -0.00244 -0.00279 -0.00245 127 4XZ 0.00097 0.00033 -0.00123 -0.00076 0.00114 128 4YZ -0.00306 0.00024 0.00143 0.00268 0.00061 129 13 C 1S -0.00363 -0.06211 -0.00167 -0.04162 0.08650 130 2S 0.00579 0.06771 -0.00076 0.04003 -0.09661 131 2PX 0.00416 0.06183 0.00282 0.07088 -0.30795 132 2PY 0.08793 -0.00579 -0.00006 -0.00272 0.01037 133 2PZ -0.00604 -0.13236 -0.02002 -0.06494 -0.09651 134 3S 0.05625 1.06908 0.07186 0.76960 -1.47452 135 3PX 0.02170 0.09430 -0.08244 0.17594 -0.84624 136 3PY 0.30521 -0.01207 0.00161 -0.00460 0.02171 137 3PZ -0.01072 -0.30167 0.04718 -0.29478 -0.40252 138 4XX 0.00154 -0.00984 0.00026 -0.00241 0.01106 139 4YY -0.00112 0.00322 0.00909 -0.01242 0.00570 140 4ZZ -0.00076 -0.00597 -0.00745 0.00399 0.00346 141 4XY 0.01599 0.00007 0.00028 -0.00038 0.00008 142 4XZ 0.00007 0.00190 0.00697 -0.00790 0.00693 143 4YZ 0.00508 -0.00017 -0.00020 0.00027 0.00057 144 14 H 1S 0.00170 -0.03576 0.01113 -0.02028 0.06339 145 2S -0.01535 -0.44203 0.04582 -0.39752 1.76801 146 15 H 1S -0.00280 -0.01433 -0.03094 0.01240 -0.00232 147 2S -0.04462 -0.81955 -0.07782 -0.54786 0.11760 148 16 C 1S -0.04679 -0.01994 -0.02612 0.02588 0.00863 149 2S 0.07713 0.04929 0.05405 -0.03904 -0.02710 150 2PX -0.14481 0.05893 0.00716 -0.00415 0.01952 151 2PY 0.04112 -0.10340 -0.07349 0.04157 0.03724 152 2PZ -0.13181 0.02961 -0.02674 0.03539 -0.01804 153 3S 0.52054 0.25657 0.29162 -0.32315 -0.10555 154 3PX -0.19324 0.05758 0.05177 -0.07300 0.25072 155 3PY 0.07613 -0.27204 -0.25052 0.11868 0.09679 156 3PZ -0.22773 0.13473 -0.12958 0.22211 0.06570 157 4XX -0.01511 0.00371 0.00142 -0.00217 -0.00634 158 4YY 0.00157 -0.00924 -0.01093 0.01073 0.00131 159 4ZZ 0.00371 0.00408 0.00478 -0.00204 0.00369 160 4XY 0.00163 0.00137 -0.00043 0.00027 -0.00657 161 4XZ 0.00561 -0.00311 -0.00215 0.00037 0.00129 162 4YZ 0.00190 -0.00767 -0.00591 0.00570 -0.00658 163 17 H 1S 0.00183 -0.03221 -0.04159 0.04325 0.00117 164 2S -0.16607 -0.51682 -0.53975 0.41523 0.16093 165 18 C 1S 0.00018 -0.02063 -0.02673 0.03162 -0.00849 166 2S 0.00924 0.04750 0.03952 -0.03542 -0.00534 167 2PX 0.18155 -0.03950 -0.03413 0.05897 -0.03370 168 2PY 0.00928 -0.01918 -0.07530 0.10248 -0.00126 169 2PZ 0.06596 0.04781 0.07721 -0.10826 -0.02225 170 3S -0.03551 0.19886 0.49844 -0.69435 0.10161 171 3PX 0.29287 -0.10278 -0.06598 0.11202 -0.02392 172 3PY 0.05300 -0.03980 -0.16147 0.27892 -0.05702 173 3PZ 0.11509 0.10339 0.13771 -0.23224 -0.04715 174 4XX -0.00406 -0.00024 0.00111 -0.00035 -0.00062 175 4YY -0.00156 0.00390 -0.00021 0.00321 -0.00182 176 4ZZ 0.00742 -0.00627 -0.00198 0.00178 -0.00643 177 4XY -0.00769 -0.00458 -0.00513 0.00463 -0.00341 178 4XZ 0.00153 -0.00117 0.00296 -0.00179 0.00039 179 4YZ -0.00361 0.01227 0.01063 -0.01003 -0.00167 180 19 H 1S 0.00752 -0.04044 -0.03955 0.03831 -0.00879 181 2S 0.09186 -0.38200 -0.59297 0.84222 -0.04614 182 20 C 1S 0.04081 -0.02290 -0.02695 0.02625 0.00374 183 2S -0.06589 0.05452 0.05525 -0.03942 -0.02207 184 2PX 0.12272 0.05705 0.00975 -0.00591 0.03443 185 2PY 0.03766 0.09716 0.07293 -0.04186 -0.02105 186 2PZ 0.11313 0.02111 -0.02882 0.03641 -0.01297 187 3S -0.45920 0.28786 0.30188 -0.32661 -0.00595 188 3PX 0.14933 0.06178 0.06203 -0.07797 0.27878 189 3PY 0.08756 0.26558 0.24721 -0.11549 -0.05852 190 3PZ 0.20744 0.11735 -0.13393 0.22722 0.08453 191 4XX 0.01448 0.00289 0.00133 -0.00188 -0.00450 192 4YY -0.00157 -0.00893 -0.01100 0.01083 0.00029 193 4ZZ -0.00403 0.00424 0.00468 -0.00202 0.00218 194 4XY -0.00099 -0.00216 -0.00079 0.00105 0.00795 195 4XZ -0.00674 -0.00211 -0.00164 -0.00008 0.00231 196 4YZ 0.00267 0.00772 0.00608 -0.00578 0.00701 197 21 H 1S -0.00452 -0.03221 -0.04207 0.04402 -0.00109 198 2S 0.11451 -0.52652 -0.54681 0.42273 0.05270 199 22 C 1S -0.00133 -0.02031 -0.02623 0.03137 -0.00535 200 2S -0.00686 0.04693 0.03837 -0.03463 -0.01219 201 2PX -0.16936 -0.02905 -0.02780 0.05101 -0.04975 202 2PY 0.02232 0.01995 0.07710 -0.10643 0.00359 203 2PZ -0.05865 0.05185 0.07829 -0.10878 -0.02118 204 3S 0.04474 0.20066 0.49470 -0.69452 0.08806 205 3PX -0.27433 -0.08128 -0.05028 0.08798 -0.05339 206 3PY 0.07312 0.03632 0.16304 -0.28537 0.02660 207 3PZ -0.10522 0.10721 0.13845 -0.22946 -0.04714 208 4XX 0.00204 0.00022 0.00162 -0.00087 0.00014 209 4YY 0.00305 0.00323 -0.00068 0.00359 -0.00119 210 4ZZ -0.00704 -0.00587 -0.00203 0.00189 -0.00696 211 4XY -0.00928 0.00541 0.00501 -0.00430 0.00288 212 4XZ -0.00059 -0.00191 0.00220 -0.00106 0.00001 213 4YZ -0.00490 -0.01182 -0.01079 0.01020 0.00152 214 23 H 1S -0.01060 -0.03965 -0.03911 0.03833 -0.00554 215 2S -0.11060 -0.37107 -0.58826 0.83865 -0.02826 56 57 58 59 60 V V V V V Eigenvalues -- 0.14076 0.15498 0.15584 0.16285 0.17406 1 1 C 1S 0.02859 -0.00124 0.01173 -0.04517 0.01239 2 2S -0.06990 -0.00772 -0.04949 0.10974 -0.01101 3 2PX 0.00068 -0.00471 0.03701 0.02208 0.02292 4 2PY 0.04186 -0.00261 0.00620 -0.06068 0.03558 5 2PZ -0.01909 -0.02195 -0.00463 0.13231 0.01460 6 3S -0.01774 0.05198 0.08463 0.20743 -0.24995 7 3PX 0.25895 -0.00744 0.30988 -0.36589 0.00574 8 3PY 0.29078 -0.03654 0.15203 -0.37217 0.12645 9 3PZ -0.25342 0.00940 -0.11220 0.54402 0.00957 10 4XX 0.00482 -0.00234 -0.00713 -0.00643 -0.00161 11 4YY 0.00387 -0.00113 0.00186 -0.00629 -0.00020 12 4ZZ -0.00195 -0.00062 0.00119 0.00643 0.00279 13 4XY -0.00043 -0.00076 -0.00024 0.00115 -0.00289 14 4XZ -0.00506 0.00207 0.00088 0.00328 -0.00001 15 4YZ 0.00046 -0.00264 0.00079 -0.00563 0.00370 16 2 C 1S -0.01789 -0.00155 0.00206 0.01857 -0.03193 17 2S 0.05615 -0.00502 -0.01024 -0.05709 0.04112 18 2PX 0.04940 0.02162 -0.07612 -0.08733 0.02209 19 2PY 0.04652 -0.00241 -0.00679 -0.04397 0.03373 20 2PZ 0.04656 -0.00040 -0.06760 -0.14158 -0.03235 21 3S -0.04226 0.06780 -0.00617 -0.02663 0.58904 22 3PX -0.03036 0.08905 -0.12645 -0.14233 0.05580 23 3PY -0.33206 0.08345 -0.35039 0.34470 0.01673 24 3PZ -0.00597 -0.02418 -0.07009 -0.11353 -0.04495 25 4XX -0.00669 0.00103 0.00192 0.00601 0.00522 26 4YY 0.00693 -0.00333 0.00228 -0.00503 -0.00892 27 4ZZ -0.00144 0.00015 -0.00282 0.00142 0.00137 28 4XY 0.00366 -0.00305 0.00150 0.00038 -0.00375 29 4XZ 0.00868 -0.00179 0.00237 -0.00990 0.00279 30 4YZ -0.00121 -0.00104 -0.00015 0.00165 -0.00009 31 3 C 1S 0.06764 0.00062 -0.01495 -0.02738 0.00080 32 2S -0.11742 0.01348 0.00657 0.07073 0.00942 33 2PX -0.10008 -0.00956 0.08992 0.09335 0.06162 34 2PY 0.07098 -0.01827 -0.02859 -0.06460 -0.00188 35 2PZ 0.06472 -0.02567 0.05369 0.08238 -0.09331 36 3S -0.71521 -0.08325 0.35745 -0.08560 -0.02270 37 3PX -0.39595 0.03195 0.10568 0.28886 0.22136 38 3PY 0.25068 0.05477 0.00999 -0.44600 0.03410 39 3PZ 0.55401 -0.13064 0.12270 0.03177 -0.29922 40 4XX 0.00733 0.00258 0.00113 -0.00074 0.00359 41 4YY 0.00826 -0.00030 0.00076 -0.00092 0.00150 42 4ZZ 0.00038 0.00099 -0.00491 -0.00783 -0.00318 43 4XY 0.00046 -0.00415 -0.00308 -0.00072 0.00699 44 4XZ -0.00304 0.00235 0.00101 0.00367 -0.00129 45 4YZ -0.00285 -0.00653 0.00000 -0.00051 -0.01898 46 4 C 1S -0.06433 -0.00229 0.01387 0.02525 -0.00050 47 2S 0.11341 0.01839 -0.00427 -0.06854 0.01258 48 2PX 0.09856 -0.00659 -0.08913 -0.09776 0.05072 49 2PY 0.05736 0.01984 -0.02095 -0.05616 -0.00506 50 2PZ -0.04574 -0.02868 -0.05168 -0.07701 -0.10012 51 3S 0.65465 -0.04928 -0.34889 0.12001 -0.00850 52 3PX 0.37525 0.04460 -0.10320 -0.31858 0.20699 53 3PY 0.20513 -0.05112 0.01633 -0.41112 -0.06039 54 3PZ -0.50952 -0.15648 -0.12261 -0.00762 -0.32133 55 4XX -0.00772 0.00268 -0.00164 -0.00012 0.00251 56 4YY -0.00810 -0.00100 -0.00049 0.00097 0.00185 57 4ZZ 0.00029 0.00110 0.00521 0.00824 -0.00265 58 4XY 0.00168 0.00395 -0.00308 -0.00053 -0.00749 59 4XZ 0.00356 0.00295 -0.00073 -0.00379 -0.00025 60 4YZ -0.00514 0.00619 -0.00024 -0.00168 0.01874 61 5 C 1S 0.02070 -0.00062 -0.00142 -0.01572 -0.03135 62 2S -0.06230 -0.00798 0.00861 0.05381 0.04003 63 2PX -0.05730 0.02212 0.07536 0.08290 0.03240 64 2PY 0.05333 0.00361 -0.01022 -0.04576 -0.03405 65 2PZ -0.04418 0.00058 0.06680 0.14265 -0.01979 66 3S 0.01360 0.07196 0.00043 -0.02682 0.58779 67 3PX -0.00311 0.08873 0.10636 0.15736 0.07255 68 3PY -0.31218 -0.09798 -0.35394 0.33703 -0.04297 69 3PZ 0.00024 -0.02120 0.06776 0.11566 -0.02775 70 4XX 0.00699 0.00167 -0.00165 -0.00602 0.00540 71 4YY -0.00614 -0.00373 -0.00252 0.00553 -0.00919 72 4ZZ 0.00099 0.00001 0.00286 -0.00154 0.00129 73 4XY 0.00204 0.00271 0.00147 0.00102 0.00266 74 4XZ -0.00836 -0.00214 -0.00245 0.00960 0.00240 75 4YZ -0.00060 0.00117 0.00001 0.00083 0.00006 76 6 C 1S -0.02939 -0.00271 -0.01211 0.04408 0.01041 77 2S 0.07108 -0.00466 0.04894 -0.10823 -0.00666 78 2PX 0.00090 -0.00706 -0.03681 -0.02519 0.00893 79 2PY 0.04400 0.00513 0.00902 -0.05646 -0.03489 80 2PZ 0.02393 -0.02348 0.00288 -0.13369 0.00685 81 3S 0.03772 0.05897 -0.07568 -0.18946 -0.23993 82 3PX -0.23853 -0.01843 -0.29660 0.34608 -0.04024 83 3PY 0.31340 0.05128 0.17486 -0.38790 -0.10586 84 3PZ 0.25439 0.01646 0.11026 -0.54556 0.01313 85 4XX -0.00509 -0.00240 0.00682 0.00661 -0.00060 86 4YY -0.00364 -0.00136 -0.00187 0.00629 -0.00096 87 4ZZ 0.00208 -0.00075 -0.00128 -0.00659 0.00216 88 4XY -0.00046 0.00072 -0.00086 0.00067 0.00251 89 4XZ 0.00481 0.00246 -0.00060 -0.00356 -0.00002 90 4YZ -0.00025 0.00242 0.00100 -0.00515 -0.00392 91 7 H 1S 0.03264 -0.00627 -0.00859 -0.03379 -0.00261 92 2S 0.51195 -0.01719 0.30394 -0.90878 0.18192 93 8 H 1S 0.02774 -0.02226 -0.01542 -0.04228 -0.07030 94 2S 1.06548 -0.15552 -0.07774 -0.28974 -0.45917 95 9 H 1S -0.01956 -0.02271 0.01623 0.04625 -0.06787 96 2S -0.96136 -0.19953 0.07565 0.30293 -0.47360 97 10 H 1S -0.03313 -0.00808 0.00788 0.03473 -0.00408 98 2S -0.52994 -0.04317 -0.30544 0.90056 0.13905 99 11 O 1S 0.01172 -0.00379 0.01387 -0.00706 0.01179 100 2S -0.01641 0.01311 -0.01341 -0.01223 -0.02854 101 2PX -0.04008 0.01637 0.01047 0.00206 -0.03762 102 2PY 0.01090 -0.00833 -0.00640 -0.00091 -0.03832 103 2PZ 0.00163 -0.01561 0.00551 0.07640 -0.00294 104 3S -0.22665 0.04498 -0.28060 0.23748 -0.14472 105 3PX -0.02737 -0.01238 0.03126 0.05487 -0.02920 106 3PY -0.06413 0.01774 -0.10342 0.05139 -0.08703 107 3PZ -0.00720 -0.00167 0.02946 0.08005 0.01215 108 4XX 0.00617 -0.00091 0.00831 -0.00783 0.00450 109 4YY -0.00481 0.00509 -0.00283 -0.00471 -0.00299 110 4ZZ 0.00454 0.00216 0.00726 -0.01110 -0.00147 111 4XY -0.00034 0.00154 -0.00373 -0.00270 -0.00022 112 4XZ -0.00077 0.00070 0.00031 -0.00129 0.00281 113 4YZ 0.00200 0.00048 -0.00284 -0.00422 -0.00144 114 12 O 1S -0.01159 -0.00412 -0.01389 0.00623 0.01057 115 2S 0.01657 0.01394 0.01400 0.01353 -0.02602 116 2PX 0.04355 0.01715 -0.00981 -0.00089 -0.03744 117 2PY 0.00487 0.00736 -0.00573 -0.00390 0.03920 118 2PZ 0.00129 -0.01741 -0.00578 -0.07565 -0.00877 119 3S 0.21921 0.04992 0.27857 -0.22439 -0.12600 120 3PX 0.02924 -0.01426 -0.03802 -0.04987 -0.02949 121 3PY -0.06570 -0.01828 -0.10106 0.04764 0.08104 122 3PZ 0.00889 -0.00324 -0.02911 -0.08018 0.00417 123 4XX -0.00594 -0.00110 -0.00859 0.00718 0.00397 124 4YY 0.00428 0.00538 0.00342 0.00503 -0.00253 125 4ZZ -0.00429 0.00215 -0.00699 0.01079 -0.00163 126 4XY 0.00083 -0.00109 -0.00286 -0.00289 -0.00072 127 4XZ 0.00078 0.00071 -0.00050 0.00074 0.00296 128 4YZ 0.00177 -0.00051 -0.00280 -0.00431 0.00082 129 13 C 1S -0.00628 0.08095 0.00100 -0.00048 -0.03200 130 2S 0.00753 -0.11468 -0.00100 0.00108 0.02190 131 2PX 0.01161 0.10007 0.00373 -0.00015 -0.01929 132 2PY -0.04339 -0.00865 0.00526 -0.04723 -0.00804 133 2PZ -0.00480 0.11474 0.00089 -0.00893 0.34094 134 3S 0.10195 -1.00872 -0.01392 0.00465 0.59695 135 3PX 0.03057 0.20518 0.00740 -0.00361 -0.14529 136 3PY -0.27508 -0.02585 -0.10989 -0.36180 -0.03856 137 3PZ -0.00952 0.45333 0.00275 -0.03092 1.19783 138 4XX 0.00002 -0.00308 -0.00006 -0.00105 0.00239 139 4YY -0.00075 0.01517 0.00027 0.00107 -0.02166 140 4ZZ -0.00083 0.00906 0.00009 -0.00021 0.01346 141 4XY 0.00356 0.00045 0.00186 -0.01239 -0.00179 142 4XZ 0.00022 -0.00389 -0.00061 0.00005 0.00185 143 4YZ 0.01435 0.00084 -0.01255 0.00631 0.00075 144 14 H 1S -0.00191 -0.02233 -0.00144 -0.00142 0.00129 145 2S -0.07949 -0.07500 -0.01123 -0.00163 -0.57119 146 15 H 1S -0.00374 0.05934 0.00120 -0.00168 0.09278 147 2S -0.05760 1.03163 0.01078 -0.04049 1.34273 148 16 C 1S 0.03971 -0.07952 0.01127 0.06686 0.02758 149 2S -0.04325 0.11441 0.00309 -0.11680 -0.02531 150 2PX -0.14171 0.02436 0.01873 0.00320 -0.11710 151 2PY 0.12502 -0.08792 0.14485 0.08850 0.00615 152 2PZ -0.04314 -0.01813 0.10373 0.06195 0.09573 153 3S -0.81811 1.17939 -0.57167 -0.90247 -0.55550 154 3PX -0.27974 0.03334 -0.00820 0.00789 -0.47352 155 3PY 0.37276 -0.39268 0.22664 0.50828 -0.13192 156 3PZ -0.23579 -0.11709 0.23736 0.22632 0.27386 157 4XX -0.00570 -0.00085 0.00698 0.01016 0.00219 158 4YY -0.00183 -0.00760 -0.00010 -0.00474 0.01208 159 4ZZ 0.01174 -0.00865 -0.00560 0.00957 -0.00964 160 4XY 0.00592 -0.00259 0.00050 -0.00569 0.01714 161 4XZ -0.00350 0.00493 0.00823 -0.00013 0.00895 162 4YZ 0.00557 0.01096 -0.00407 0.00331 -0.00468 163 17 H 1S 0.00674 -0.04638 -0.00866 0.01847 0.03496 164 2S 0.78514 -1.04788 0.61138 1.00333 0.34817 165 18 C 1S -0.03113 0.04170 0.07361 -0.04254 0.00470 166 2S 0.05943 -0.06467 -0.13289 0.09133 -0.00966 167 2PX 0.14187 0.01300 0.02358 -0.06114 -0.05654 168 2PY -0.01887 0.09125 0.09308 -0.02742 -0.00611 169 2PZ 0.00517 -0.04166 -0.13876 -0.01120 0.12926 170 3S 0.29478 -0.73299 -1.02778 0.24301 0.04812 171 3PX 0.28576 0.04021 0.25656 -0.20295 -0.09933 172 3PY -0.25931 0.40831 0.30562 -0.30789 -0.08408 173 3PZ -0.01473 -0.08681 -0.71081 0.24813 0.30783 174 4XX -0.00415 0.00381 0.00204 0.00187 0.00304 175 4YY -0.00760 -0.00441 0.00304 -0.00968 -0.00058 176 4ZZ 0.00525 0.00676 0.00443 -0.00306 0.00220 177 4XY -0.00414 -0.00118 -0.00113 0.00161 0.00408 178 4XZ 0.00458 -0.00672 -0.00270 0.00082 -0.00455 179 4YZ -0.00163 0.00444 0.00537 -0.00272 0.01238 180 19 H 1S -0.02926 0.02263 0.03655 -0.02608 -0.03725 181 2S -0.20372 0.72442 1.40422 -0.60688 -0.48419 182 20 C 1S -0.03908 -0.08361 -0.01365 -0.06523 0.02044 183 2S 0.04300 0.12186 0.00097 0.11566 -0.01475 184 2PX 0.14246 0.03286 -0.00460 0.00814 -0.10656 185 2PY 0.11568 0.08487 0.14774 0.08451 0.00000 186 2PZ 0.03922 -0.01929 -0.10119 -0.06398 0.09095 187 3S 0.80688 1.23020 0.61301 0.88248 -0.43968 188 3PX 0.26291 0.06294 0.02925 0.04786 -0.43762 189 3PY 0.34556 0.40204 0.22865 0.48286 0.16696 190 3PZ 0.21588 -0.11603 -0.23676 -0.23001 0.26895 191 4XX 0.00640 -0.00069 -0.00649 -0.01025 -0.00075 192 4YY 0.00136 -0.00741 -0.00036 0.00488 0.01505 193 4ZZ -0.01178 -0.00982 0.00541 -0.00873 -0.01113 194 4XY 0.00525 0.00217 0.00115 -0.00379 -0.01592 195 4XZ 0.00280 0.00461 -0.00822 0.00023 0.00926 196 4YZ 0.00527 -0.01113 -0.00377 0.00317 0.00364 197 21 H 1S -0.00650 -0.04643 0.00728 -0.01884 0.03885 198 2S -0.76563 -1.08444 -0.64243 -0.98370 0.29110 199 22 C 1S 0.03053 0.04656 -0.07197 0.04183 0.00741 200 2S -0.05658 -0.07453 0.13044 -0.09096 -0.01477 201 2PX -0.13460 0.00461 -0.01760 0.06100 -0.05743 202 2PY -0.00741 -0.09825 0.09110 -0.03025 0.00247 203 2PZ -0.00395 -0.04491 0.13893 0.00638 0.12909 204 3S -0.28540 -0.77934 0.99999 -0.23432 0.02851 205 3PX -0.29093 0.01853 -0.23536 0.18380 -0.10088 206 3PY -0.23166 -0.44781 0.30771 -0.31789 0.04391 207 3PZ 0.01531 -0.11391 0.71362 -0.26017 0.30694 208 4XX 0.00301 0.00397 -0.00204 -0.00165 0.00275 209 4YY 0.00863 -0.00405 -0.00316 0.00921 -0.00009 210 4ZZ -0.00462 0.00699 -0.00417 0.00282 0.00266 211 4XY -0.00412 0.00052 -0.00083 0.00304 -0.00438 212 4XZ -0.00372 -0.00718 0.00291 -0.00067 -0.00590 213 4YZ -0.00115 -0.00404 0.00494 -0.00187 -0.01186 214 23 H 1S 0.02927 0.02659 -0.03614 0.02749 -0.03272 215 2S 0.19869 0.80010 -1.38302 0.61632 -0.43656 61 62 63 64 65 V V V V V Eigenvalues -- 0.17751 0.19075 0.19874 0.21046 0.21355 1 1 C 1S -0.06313 0.04606 0.00082 -0.02181 -0.01902 2 2S 0.12700 -0.08007 0.00775 0.01310 0.01938 3 2PX -0.16638 -0.11345 -0.04304 0.03224 0.01025 4 2PY -0.06907 0.07124 0.02077 -0.03713 0.01566 5 2PZ 0.01297 0.10007 -0.03843 -0.05084 0.09448 6 3S 0.60075 -0.76828 -0.13733 0.46373 0.44394 7 3PX -0.73724 -0.34396 -0.18129 0.22930 -0.02275 8 3PY -0.43628 0.39331 0.00402 -0.21140 0.06567 9 3PZ 0.39591 0.33295 0.02010 -0.18279 0.28312 10 4XX 0.00419 0.00585 0.00645 -0.00638 -0.00332 11 4YY -0.01010 -0.01140 -0.00350 0.00296 -0.00995 12 4ZZ -0.00601 0.00849 -0.00188 -0.00412 0.00808 13 4XY 0.00686 -0.02098 0.00043 0.01067 0.00309 14 4XZ 0.00446 -0.01044 -0.00071 0.00624 -0.00310 15 4YZ -0.00287 0.01821 0.00182 -0.00769 -0.00382 16 2 C 1S 0.01064 -0.09532 -0.00172 0.04596 -0.00573 17 2S -0.04793 0.13763 0.01771 -0.07721 0.01258 18 2PX 0.15292 -0.04437 0.04816 0.01113 -0.05127 19 2PY -0.06200 0.16494 0.02092 -0.07798 0.03316 20 2PZ 0.06558 0.00546 0.06447 -0.03216 -0.16436 21 3S 0.09139 1.61364 -0.05459 -0.68366 0.01589 22 3PX 0.18657 -0.09439 0.04658 0.04217 -0.15571 23 3PY 0.13572 0.34329 0.29377 -0.37558 -0.05079 24 3PZ 0.10465 0.04492 0.12157 -0.12312 -0.28263 25 4XX 0.00325 -0.00415 -0.00497 0.00493 0.00263 26 4YY -0.00637 -0.00711 0.00552 0.00750 0.00242 27 4ZZ 0.00342 -0.00364 -0.00257 -0.00220 -0.00788 28 4XY -0.00152 0.00048 0.00345 0.00219 0.00002 29 4XZ -0.00755 0.01595 -0.00077 -0.00347 0.00616 30 4YZ -0.00101 -0.00131 -0.00047 0.00052 0.00384 31 3 C 1S 0.03557 0.04928 -0.00614 -0.00680 0.04609 32 2S -0.03258 -0.07721 0.03625 0.00096 -0.06577 33 2PX -0.18375 0.11698 -0.03355 -0.04989 0.12570 34 2PY -0.01019 0.07328 0.05311 -0.00609 0.01299 35 2PZ -0.04997 -0.01201 -0.00905 0.09050 0.27613 36 3S -0.67649 -0.77068 -0.13127 0.07833 -0.75178 37 3PX -0.32555 0.34282 -0.07130 -0.17645 0.00595 38 3PY -0.09999 0.33745 -0.03178 0.02451 0.23602 39 3PZ -0.07883 -0.13699 -0.05890 0.24350 0.89429 40 4XX -0.00328 0.01278 0.00152 -0.00615 0.00670 41 4YY 0.00985 -0.01127 -0.01036 0.00220 0.01025 42 4ZZ 0.00278 0.00630 0.00748 0.00117 -0.00682 43 4XY 0.00719 0.01204 0.00227 0.00075 -0.00220 44 4XZ 0.00705 -0.01132 -0.00299 0.00611 -0.00401 45 4YZ -0.00240 -0.00868 0.00145 0.00977 -0.00773 46 4 C 1S -0.03299 0.05118 0.00864 -0.00002 -0.04768 47 2S 0.03003 -0.07932 -0.03998 -0.00755 0.06674 48 2PX 0.18213 0.10059 0.04025 -0.04092 -0.12079 49 2PY -0.02383 -0.08203 0.04871 0.00228 0.02253 50 2PZ 0.04785 -0.01006 0.00322 0.11808 -0.26338 51 3S 0.63636 -0.80960 0.09561 -0.03930 0.76825 52 3PX 0.32027 0.28557 0.08359 -0.18510 0.01104 53 3PY -0.13612 -0.35068 -0.04836 -0.04946 0.22835 54 3PZ 0.06759 -0.12345 0.04029 0.33310 -0.86498 55 4XX 0.00458 0.01157 -0.00088 -0.00491 -0.00786 56 4YY -0.01047 -0.01026 0.00952 0.00282 -0.01031 57 4ZZ -0.00290 0.00663 -0.00706 0.00065 0.00745 58 4XY 0.00591 -0.01403 0.00190 -0.00005 -0.00300 59 4XZ -0.00688 -0.01070 0.00284 0.00476 0.00383 60 4YZ -0.00088 0.00946 0.00192 -0.00915 -0.00901 61 5 C 1S -0.01259 -0.09496 -0.00332 0.04389 0.00967 62 2S 0.04932 0.13869 -0.00952 -0.07407 -0.02007 63 2PX -0.15735 -0.05001 -0.04520 0.01815 0.05661 64 2PY -0.05409 -0.16257 0.01589 0.07019 0.03670 65 2PZ -0.06631 0.01342 -0.06147 -0.04921 0.15863 66 3S -0.04464 1.59339 0.13600 -0.65187 -0.07082 67 3PX -0.17505 -0.11560 -0.02843 0.05710 0.16164 68 3PY 0.15551 -0.34315 0.27665 0.34936 -0.03706 69 3PZ -0.11117 0.05788 -0.11543 -0.14674 0.26534 70 4XX -0.00296 -0.00466 0.00519 0.00429 -0.00221 71 4YY 0.00616 -0.00657 -0.00644 0.00842 -0.00182 72 4ZZ -0.00352 -0.00378 0.00263 -0.00322 0.00741 73 4XY -0.00054 -0.00079 0.00271 -0.00208 -0.00026 74 4XZ 0.00787 0.01578 0.00119 -0.00269 -0.00608 75 4YZ -0.00139 0.00035 -0.00053 -0.00064 0.00395 76 6 C 1S 0.06410 0.04576 0.00141 -0.02519 0.01672 77 2S -0.12852 -0.07902 -0.01091 0.01852 -0.01948 78 2PX 0.16256 -0.12132 0.03947 0.02724 -0.00792 79 2PY -0.08272 -0.06337 0.01497 0.03135 0.02058 80 2PZ -0.01175 0.09755 0.04112 -0.04010 -0.09977 81 3S -0.61743 -0.76705 0.09636 0.52137 -0.39343 82 3PX 0.70847 -0.37874 0.16254 0.20071 0.04550 83 3PY -0.49289 -0.36671 -0.02625 0.18969 0.08328 84 3PZ -0.39285 0.33273 -0.00583 -0.13140 -0.29584 85 4XX -0.00375 0.00855 -0.00579 -0.00730 0.00310 86 4YY 0.00919 -0.01371 0.00286 0.00219 0.00949 87 4ZZ 0.00634 0.00831 0.00210 -0.00330 -0.00855 88 4XY 0.00809 0.01942 0.00217 -0.01071 0.00244 89 4XZ -0.00470 -0.01174 0.00036 0.00631 0.00361 90 4YZ -0.00291 -0.01751 0.00107 0.00783 -0.00328 91 7 H 1S -0.04786 -0.03683 0.00757 0.01042 0.00123 92 2S -1.31351 -0.01414 -0.03650 -0.00267 -0.31274 93 8 H 1S 0.00345 0.01052 0.01669 0.02902 0.02790 94 2S 0.25663 0.29251 0.04237 0.36237 1.27267 95 9 H 1S -0.00609 0.01255 -0.01730 0.03184 -0.02477 96 2S -0.25437 0.33006 -0.04414 0.51624 -1.23963 97 10 H 1S 0.04707 -0.03660 -0.00930 0.01102 -0.00012 98 2S 1.32628 -0.02233 0.03998 -0.07464 0.30419 99 11 O 1S -0.00087 0.01264 -0.01403 0.00295 -0.00008 100 2S -0.00771 -0.01966 0.02109 0.00058 0.01224 101 2PX -0.09333 0.00294 0.00529 -0.00816 0.02852 102 2PY -0.00661 -0.06454 0.02862 0.02960 0.00021 103 2PZ -0.01236 0.00088 -0.01176 0.01114 0.10270 104 3S 0.07114 -0.18150 0.24967 -0.09962 -0.05476 105 3PX -0.08573 0.02580 -0.00511 -0.01417 0.04783 106 3PY 0.01240 -0.13668 0.09858 -0.00135 -0.01335 107 3PZ -0.04012 -0.00554 -0.03755 0.02515 0.11504 108 4XX -0.00207 0.00325 -0.00709 0.00532 0.00147 109 4YY -0.00249 0.00095 0.00146 -0.00411 0.00381 110 4ZZ -0.00244 0.00545 -0.00509 0.00287 0.00520 111 4XY 0.00444 -0.00117 0.00159 -0.00091 -0.00118 112 4XZ 0.00142 0.00786 -0.00130 -0.00242 -0.00085 113 4YZ 0.00284 -0.00138 0.00202 0.00007 -0.00476 114 12 O 1S 0.00197 0.01197 0.01471 0.00205 0.00009 115 2S 0.00626 -0.01853 -0.02270 0.00338 -0.01158 116 2PX 0.09175 0.00598 -0.00533 -0.00969 -0.02912 117 2PY -0.01002 0.06223 0.03257 -0.03065 -0.00081 118 2PZ 0.01177 -0.00058 0.01058 0.02214 -0.10002 119 3S -0.09044 -0.17040 -0.25662 -0.09023 0.05070 120 3PX 0.08606 0.03278 0.01062 -0.01175 -0.05061 121 3PY 0.01574 0.12952 0.10458 -0.00162 -0.01138 122 3PZ 0.04121 -0.00961 0.03569 0.03618 -0.11084 123 4XX 0.00322 0.00305 0.00733 0.00508 -0.00121 124 4YY 0.00186 0.00084 -0.00166 -0.00368 -0.00387 125 4ZZ 0.00289 0.00528 0.00514 0.00319 -0.00493 126 4XY 0.00443 0.00084 0.00084 0.00014 -0.00132 127 4XZ -0.00097 0.00775 0.00180 -0.00229 0.00035 128 4YZ 0.00289 0.00062 0.00188 0.00058 -0.00468 129 13 C 1S -0.00106 -0.05854 -0.00188 -0.05796 -0.00262 130 2S 0.00030 0.02053 0.00118 0.06356 0.00355 131 2PX -0.00324 0.00583 0.01243 -0.21294 -0.00967 132 2PY -0.02426 -0.00494 0.30782 -0.00191 0.11623 133 2PZ 0.00770 -0.08598 0.00660 -0.07539 -0.00599 134 3S 0.02714 1.44973 0.04627 1.14795 0.04868 135 3PX -0.01403 -0.47215 0.03976 -0.97867 -0.04926 136 3PY 0.03794 -0.00533 1.25939 0.01762 0.24247 137 3PZ 0.03147 -0.03565 0.02826 -0.14975 -0.02118 138 4XX 0.00091 0.00331 0.00197 -0.00085 -0.00053 139 4YY -0.00123 -0.00645 -0.00225 -0.02039 -0.00080 140 4ZZ 0.00023 -0.00696 -0.00001 0.01338 0.00109 141 4XY 0.00912 -0.00093 0.02265 -0.00111 -0.00431 142 4XZ 0.00013 0.01148 -0.00074 0.00023 -0.00042 143 4YZ -0.00025 0.00008 -0.02332 0.00031 -0.00853 144 14 H 1S 0.00155 0.05063 0.00142 0.03503 0.00108 145 2S -0.00359 0.00193 -0.01361 0.71139 0.05272 146 15 H 1S 0.00218 -0.04183 0.00205 0.06913 0.00477 147 2S 0.03117 -0.68718 0.01494 -0.45083 -0.03176 148 16 C 1S -0.02660 0.00980 -0.05087 -0.01476 -0.01955 149 2S 0.05435 -0.00091 0.06357 0.02222 0.02631 150 2PX -0.08245 -0.01368 0.14931 -0.07237 0.12137 151 2PY 0.03714 -0.09679 0.21994 -0.07885 -0.10064 152 2PZ -0.04078 0.03260 -0.04672 0.21272 0.08249 153 3S 0.20584 -0.28475 0.92792 0.29733 0.36398 154 3PX -0.23518 -0.19013 0.37884 -0.35537 0.30778 155 3PY -0.00955 -0.59332 0.80643 -0.38344 -0.44039 156 3PZ -0.09367 0.20145 -0.07233 0.96750 -0.07611 157 4XX -0.00774 -0.00228 -0.00926 -0.00365 0.00513 158 4YY 0.00330 -0.00070 0.00818 0.01075 -0.00173 159 4ZZ -0.00360 0.00347 -0.00902 -0.01034 -0.00484 160 4XY 0.00750 -0.00246 -0.01078 0.00525 -0.00647 161 4XZ -0.00349 0.00041 0.00418 0.00798 0.01017 162 4YZ 0.00084 -0.00569 0.01614 -0.01822 -0.00154 163 17 H 1S -0.00066 0.00252 0.08919 0.01070 -0.03087 164 2S -0.08076 -0.38298 0.56542 -0.19565 -0.69803 165 18 C 1S 0.03086 0.01255 -0.03189 0.04552 0.01120 166 2S -0.05268 -0.01322 0.06507 -0.07279 -0.04332 167 2PX 0.09454 0.03543 -0.08090 -0.04155 -0.07844 168 2PY 0.03128 0.07894 0.12807 0.08750 0.02081 169 2PZ -0.02290 -0.04569 0.01284 0.10675 -0.00919 170 3S -0.40673 -0.33092 0.46768 -1.01548 0.24499 171 3PX 0.25817 0.09006 -0.27927 -0.13088 -0.06387 172 3PY 0.14205 0.21387 0.51076 0.42066 0.32450 173 3PZ -0.17991 -0.19077 0.34242 0.45495 -0.18077 174 4XX -0.00323 0.00097 0.00603 0.00055 0.00231 175 4YY 0.00342 0.00666 -0.02447 -0.00289 0.00341 176 4ZZ 0.00475 -0.00588 0.01190 0.00347 -0.00047 177 4XY -0.00247 0.00188 0.00268 -0.01170 0.00002 178 4XZ 0.00145 0.00273 -0.01071 -0.00121 -0.00739 179 4YZ 0.00201 0.00550 -0.00771 0.02344 0.00473 180 19 H 1S 0.01713 -0.02112 0.04046 -0.06832 0.01402 181 2S 0.54729 0.45010 -0.11693 0.14045 0.22507 182 20 C 1S 0.02432 0.00667 0.04972 -0.01762 0.01862 183 2S -0.05121 0.00346 -0.06206 0.02702 -0.02619 184 2PX 0.07541 -0.00476 -0.14219 -0.05175 -0.12931 185 2PY 0.03807 0.08815 0.23346 0.08700 -0.08388 186 2PZ 0.04732 0.02833 0.05684 0.21647 -0.05404 187 3S -0.17783 -0.24013 -0.91346 0.33238 -0.32759 188 3PX 0.19031 -0.14318 -0.36129 -0.29219 -0.34857 189 3PY 0.01111 0.57328 0.85863 0.43379 -0.38075 190 3PZ 0.11709 0.18982 0.11832 0.94029 0.20177 191 4XX 0.00815 -0.00253 0.00760 -0.00425 -0.00597 192 4YY -0.00313 -0.00075 -0.00588 0.01089 0.00354 193 4ZZ 0.00236 0.00281 0.00804 -0.01052 0.00384 194 4XY 0.00576 0.00265 -0.01234 -0.00312 -0.00597 195 4XZ 0.00389 0.00075 -0.00247 0.01013 -0.00880 196 4YZ 0.00107 0.00465 0.01719 0.01739 0.00128 197 21 H 1S 0.00103 0.00576 -0.08589 0.00791 0.03293 198 2S 0.05442 -0.36792 -0.57642 -0.24889 0.68027 199 22 C 1S -0.02841 0.01152 0.03479 0.04654 -0.00575 200 2S 0.04951 -0.01147 -0.06910 -0.07675 0.03304 201 2PX -0.09422 0.02892 0.08933 -0.05626 0.07372 202 2PY 0.03233 -0.08697 0.11572 -0.08673 0.00661 203 2PZ 0.03030 -0.04534 -0.00398 0.09832 0.02126 204 3S 0.36494 -0.30846 -0.52455 -0.98916 -0.36823 205 3PX -0.25056 0.07194 0.31277 -0.16687 0.06235 206 3PY 0.14141 -0.24796 0.46520 -0.44739 0.26602 207 3PZ 0.20046 -0.18132 -0.31236 0.41129 0.23465 208 4XX 0.00283 0.00085 -0.00562 0.00233 -0.00177 209 4YY -0.00290 0.00598 0.02394 -0.00390 -0.00441 210 4ZZ -0.00425 -0.00524 -0.01124 0.00346 0.00060 211 4XY -0.00315 -0.00143 0.00530 0.01119 0.00129 212 4XZ -0.00153 0.00200 0.01016 -0.00387 0.00721 213 4YZ 0.00080 -0.00527 -0.00988 -0.02376 0.00145 214 23 H 1S -0.01988 -0.01899 -0.04444 -0.06610 -0.02198 215 2S -0.54235 0.45676 0.12415 0.18727 -0.20554 66 67 68 69 70 V V V V V Eigenvalues -- 0.24729 0.26001 0.29527 0.31412 0.33453 1 1 C 1S -0.01173 0.03063 -0.00963 0.03196 0.04046 2 2S 0.06111 -0.01659 0.04079 -0.01148 -0.12239 3 2PX -0.05973 -0.02975 0.00119 -0.02281 -0.13240 4 2PY 0.10669 0.00142 -0.13252 0.04535 -0.04043 5 2PZ 0.03804 0.01436 -0.01470 0.01742 0.14384 6 3S -0.04393 -0.75557 0.18447 -1.13926 -0.14603 7 3PX -0.64780 -0.32195 -0.32404 -0.21231 -0.14557 8 3PY 0.33758 0.31253 -0.31589 0.62313 -0.12105 9 3PZ 0.51595 0.26934 0.24214 0.22728 0.15562 10 4XX 0.01341 0.00950 0.01514 -0.00107 -0.00789 11 4YY -0.01963 -0.00206 -0.00877 0.00512 0.01603 12 4ZZ 0.00956 0.00485 0.00913 0.00238 -0.00664 13 4XY 0.00244 -0.01524 0.02059 -0.02209 0.00378 14 4XZ -0.01184 -0.01159 -0.01789 -0.00410 -0.00192 15 4YZ -0.00170 0.01009 -0.01611 0.02295 -0.00466 16 2 C 1S -0.01201 -0.02217 0.02927 0.02590 -0.02821 17 2S 0.01420 0.07062 -0.00619 -0.05104 -0.02554 18 2PX -0.01577 -0.10644 0.03857 -0.36142 -0.09468 19 2PY 0.13829 0.08045 0.11074 -0.00109 -0.03308 20 2PZ 0.01850 0.16378 -0.07011 0.23379 0.06348 21 3S 0.54913 0.15981 -0.91028 -0.43937 0.88655 22 3PX 0.12246 -0.30747 0.32823 -1.10524 -0.14423 23 3PY 1.15777 0.67838 1.77666 0.01220 -0.86258 24 3PZ 0.06361 0.38535 -0.05723 0.85252 -0.00642 25 4XX -0.01627 -0.00220 -0.00575 0.00362 -0.00537 26 4YY 0.02336 -0.00274 0.00561 0.00304 -0.00019 27 4ZZ -0.01570 -0.00112 -0.01174 -0.00306 -0.00061 28 4XY 0.00806 -0.00055 -0.00033 0.00677 0.01731 29 4XZ 0.00615 -0.00496 -0.01425 -0.00560 0.02158 30 4YZ -0.00275 -0.00024 0.00063 -0.00408 -0.01229 31 3 C 1S -0.04869 -0.00535 0.00219 -0.05967 -0.04523 32 2S 0.08674 0.00196 -0.00862 0.04370 0.01694 33 2PX 0.00279 0.01115 -0.05983 -0.10232 0.05200 34 2PY 0.23236 -0.05410 -0.08764 -0.07330 0.17656 35 2PZ -0.00742 -0.03141 -0.03072 0.04920 0.05357 36 3S 0.58267 0.21712 -0.19290 1.54745 1.43757 37 3PX 0.52895 -0.02787 0.44359 -0.42850 -0.19005 38 3PY 0.91297 -0.29201 -0.18502 -0.74798 1.36732 39 3PZ -0.30200 -0.12700 -0.29059 0.36344 0.23380 40 4XX 0.01003 -0.00788 0.00829 -0.01062 0.00327 41 4YY -0.03305 -0.00695 -0.00849 0.00411 -0.02214 42 4ZZ 0.01493 0.01037 0.00249 -0.00179 0.00665 43 4XY -0.00355 -0.00397 -0.01473 -0.03247 -0.00743 44 4XZ -0.00743 0.00169 -0.01909 0.00779 0.00332 45 4YZ 0.00165 0.01130 0.00900 0.02967 -0.00013 46 4 C 1S 0.04961 -0.00600 0.00016 -0.05792 0.04179 47 2S -0.08825 0.00498 -0.00326 0.03886 -0.01451 48 2PX 0.01077 0.01805 -0.05345 -0.08498 -0.04799 49 2PY 0.23138 0.04346 0.08849 0.07476 0.18877 50 2PZ 0.00257 -0.03047 -0.02562 0.04167 -0.05160 51 3S -0.59069 0.21772 -0.16632 1.55719 -1.35518 52 3PX -0.47875 0.03471 0.44312 -0.36787 0.25279 53 3PY 0.93899 0.24800 0.12720 0.74322 1.39842 54 3PZ 0.28903 -0.14464 -0.27548 0.35013 -0.24094 55 4XX -0.01062 -0.00641 0.00963 -0.00717 -0.00397 56 4YY 0.03298 -0.00845 -0.01006 0.00065 0.02208 57 4ZZ -0.01417 0.01107 0.00261 -0.00197 -0.00647 58 4XY -0.00101 0.00438 0.01361 0.03333 -0.00367 59 4XZ 0.00815 0.00044 -0.01981 0.00540 -0.00334 60 4YZ 0.00107 -0.01120 -0.00764 -0.03012 -0.00226 61 5 C 1S 0.01109 -0.02354 0.02971 0.02186 0.03095 62 2S -0.01179 0.07042 -0.00722 -0.04996 0.02220 63 2PX 0.02831 -0.11284 0.02785 -0.35390 0.07514 64 2PY 0.13561 -0.08057 -0.10928 0.02758 -0.04046 65 2PZ -0.01711 0.16026 -0.06843 0.23115 -0.05414 66 3S -0.54111 0.21361 -0.91245 -0.34929 -0.94884 67 3PX -0.03960 -0.34303 0.21552 -1.09087 0.03828 68 3PY 1.16078 -0.71589 -1.76144 0.12655 -0.91973 69 3PZ -0.05993 0.38046 -0.06665 0.84525 0.05290 70 4XX 0.01688 -0.00284 -0.00558 0.00273 0.00700 71 4YY -0.02427 -0.00161 0.00541 0.00304 -0.00162 72 4ZZ 0.01604 -0.00209 -0.01139 -0.00253 0.00076 73 4XY 0.00512 0.00029 0.00058 -0.00663 0.01627 74 4XZ -0.00637 -0.00435 -0.01431 -0.00372 -0.02314 75 4YZ -0.00240 0.00057 0.00062 0.00438 -0.01070 76 6 C 1S 0.01187 0.02979 -0.00829 0.03278 -0.03933 77 2S -0.06124 -0.01440 0.03781 -0.01744 0.12500 78 2PX 0.06536 -0.03403 0.00919 -0.03201 0.12983 79 2PY 0.10305 -0.00664 0.13670 -0.04323 -0.04777 80 2PZ -0.04058 0.01701 -0.01185 0.02480 -0.14307 81 3S 0.04130 -0.74682 0.16586 -1.10387 0.09390 82 3PX 0.66339 -0.37418 -0.28948 -0.25164 0.11842 83 3PY 0.29319 -0.30962 0.36759 -0.62424 -0.15044 84 3PZ -0.51652 0.30130 0.23648 0.22919 -0.13921 85 4XX -0.01266 0.01164 0.01231 0.00099 0.00870 86 4YY 0.01906 -0.00528 -0.00527 0.00264 -0.01603 87 4ZZ -0.00970 0.00558 0.00875 0.00220 0.00697 88 4XY 0.00511 0.01385 -0.02205 0.02208 0.00242 89 4XZ 0.01165 -0.01275 -0.01656 -0.00545 0.00081 90 4YZ -0.00237 -0.00917 0.01737 -0.02219 -0.00509 91 7 H 1S 0.05611 -0.01781 0.09736 -0.07480 0.01515 92 2S -0.31945 0.02201 -0.48270 0.27119 -0.32021 93 8 H 1S 0.04363 0.05571 0.05655 0.06807 0.00331 94 2S 0.00561 -0.17121 -0.31945 -0.29779 0.41431 95 9 H 1S -0.04252 0.05714 0.05688 0.06734 0.00413 96 2S 0.00063 -0.17239 -0.30539 -0.30724 -0.44589 97 10 H 1S -0.05620 -0.01539 0.09656 -0.07481 -0.01526 98 2S 0.31864 0.00384 -0.48856 0.25997 0.32156 99 11 O 1S -0.05290 -0.02185 -0.08152 -0.00545 0.03733 100 2S 0.09145 0.01872 0.06470 0.00340 -0.01983 101 2PX 0.02554 0.03250 -0.01803 0.07281 0.05598 102 2PY 0.10174 0.00949 0.10747 0.01741 -0.04357 103 2PZ -0.02110 -0.02365 0.01406 -0.06330 -0.05454 104 3S 0.84474 0.47434 1.70989 0.08524 -0.89534 105 3PX 0.05229 0.08911 0.03171 0.24802 0.04195 106 3PY 0.34383 0.16082 0.68122 0.03536 -0.35962 107 3PZ -0.01499 -0.08767 0.04799 -0.17810 -0.05196 108 4XX -0.02039 -0.01575 -0.04889 -0.00205 0.02085 109 4YY 0.00613 0.00492 -0.00018 -0.00285 0.00188 110 4ZZ -0.01927 -0.01371 -0.05428 -0.00511 0.02748 111 4XY 0.00066 0.00009 0.00591 -0.00705 -0.00982 112 4XZ 0.00725 -0.00043 -0.00151 -0.00112 0.00987 113 4YZ 0.00100 0.00416 -0.00069 0.00379 0.00400 114 12 O 1S 0.05301 -0.02403 -0.08033 -0.00153 -0.04016 115 2S -0.09112 0.02257 0.06323 -0.00093 0.02224 116 2PX -0.02009 0.03186 -0.02141 0.06943 -0.05490 117 2PY 0.10392 -0.01563 -0.10477 -0.01475 -0.04383 118 2PZ 0.02123 -0.02271 0.01250 -0.06341 0.05158 119 3S -0.84588 0.50863 1.68413 0.00611 0.95267 120 3PX -0.03293 0.07904 -0.00994 0.24080 -0.05240 121 3PY 0.34755 -0.17922 -0.67223 -0.01678 -0.38087 122 3PZ 0.01413 -0.08589 0.04695 -0.17723 0.04379 123 4XX 0.02036 -0.01640 -0.04888 0.00054 -0.02367 124 4YY -0.00585 0.00501 0.00016 -0.00362 -0.00087 125 4ZZ 0.01957 -0.01452 -0.05354 -0.00299 -0.02913 126 4XY -0.00135 0.00156 -0.00192 0.00674 -0.00801 127 4XZ -0.00714 -0.00030 -0.00149 -0.00067 -0.00968 128 4YZ 0.00141 -0.00399 0.00060 -0.00352 0.00451 129 13 C 1S 0.00101 0.05207 -0.04011 -0.03063 -0.00175 130 2S 0.00115 0.03429 0.03394 -0.00126 0.00002 131 2PX 0.00041 0.06722 -0.00064 -0.14248 -0.00381 132 2PY -0.00947 -0.00639 0.00160 0.00339 -0.01570 133 2PZ -0.00174 -0.05682 0.06006 0.03878 0.00272 134 3S -0.03200 -1.62945 0.97587 0.86691 0.05258 135 3PX 0.00756 1.07202 -0.50243 -0.83450 -0.01358 136 3PY -0.41718 -0.04318 0.00872 0.00450 0.61981 137 3PZ -0.02869 -1.06757 0.45136 0.65259 0.04153 138 4XX 0.00019 0.01039 0.01020 -0.02190 0.00091 139 4YY -0.00020 -0.00427 -0.01540 -0.00027 -0.00157 140 4ZZ 0.00018 0.00131 0.00734 0.01941 0.00059 141 4XY -0.00082 -0.00089 -0.00125 -0.00020 0.02046 142 4XZ 0.00017 -0.01937 0.01609 -0.00018 0.00006 143 4YZ 0.01556 0.00054 -0.00033 0.00016 -0.01077 144 14 H 1S -0.00087 -0.04003 0.07062 -0.03563 0.00014 145 2S -0.00308 -0.16052 -0.08698 0.35344 0.00597 146 15 H 1S 0.00054 0.00027 0.01479 0.10449 0.00393 147 2S -0.01104 -0.36847 0.09790 0.41009 0.02181 148 16 C 1S 0.02253 -0.06533 0.03351 0.03655 -0.02546 149 2S -0.00258 0.03443 0.00134 -0.01441 -0.04621 150 2PX -0.08988 -0.03301 -0.09153 0.00901 0.09188 151 2PY -0.02962 0.14162 -0.06698 -0.07943 0.08184 152 2PZ 0.02206 0.14380 0.00329 -0.04441 -0.11816 153 3S -0.58068 1.75618 -0.82893 -1.06814 0.89989 154 3PX -0.07464 0.06998 -0.11551 -0.05093 0.01152 155 3PY -0.19542 1.32719 -0.47764 -0.74761 0.73488 156 3PZ 0.03029 0.64603 0.03079 -0.08707 0.33952 157 4XX -0.00038 -0.00611 -0.01066 0.00827 0.00195 158 4YY 0.00094 0.00554 0.00993 -0.00118 -0.00206 159 4ZZ 0.00622 -0.00881 0.00670 -0.00413 -0.00657 160 4XY -0.01327 -0.00672 -0.00199 0.00858 0.00598 161 4XZ -0.00380 -0.00615 -0.00073 0.00872 0.00469 162 4YZ -0.00624 -0.00258 0.00250 0.00042 -0.02117 163 17 H 1S 0.00851 0.01382 0.06089 -0.01565 -0.03616 164 2S 0.08029 0.71861 -0.06979 -0.31651 0.38613 165 18 C 1S 0.01656 0.03850 -0.00274 -0.01237 0.05059 166 2S -0.02154 -0.01509 0.02249 -0.02903 -0.03631 167 2PX 0.00608 -0.03067 -0.02400 -0.04657 -0.01565 168 2PY -0.02521 -0.05054 -0.00481 0.03964 -0.07636 169 2PZ -0.06093 0.10769 -0.07037 -0.00690 0.11494 170 3S -0.19759 -1.02529 0.04591 0.45372 -2.21401 171 3PX 0.20286 -0.29287 0.13539 0.15452 -0.41767 172 3PY -0.03803 0.17017 0.13620 0.02526 -1.73597 173 3PZ -0.28897 0.92577 -0.24950 -0.42850 0.79459 174 4XX -0.00260 -0.00554 0.00026 0.00459 0.00691 175 4YY 0.00785 -0.01383 0.00530 0.00384 -0.00127 176 4ZZ 0.00286 0.02708 0.00110 -0.01533 -0.01805 177 4XY -0.00171 -0.01145 -0.00302 0.00097 0.00145 178 4XZ 0.00533 -0.00300 0.00128 0.00251 0.00967 179 4YZ 0.00377 0.00872 -0.00931 -0.00228 -0.00768 180 19 H 1S 0.00078 -0.00174 0.03664 0.00311 -0.02308 181 2S 0.32278 -0.35719 0.26734 0.19253 -0.85477 182 20 C 1S -0.02666 -0.06394 0.03230 0.03455 0.02884 183 2S 0.00627 0.03652 -0.00019 -0.01742 0.04536 184 2PX 0.08292 -0.04218 -0.08254 0.02511 -0.08862 185 2PY -0.04195 -0.14225 0.07099 0.07072 0.09565 186 2PZ -0.01214 0.14301 0.00328 -0.05331 0.11310 187 3S 0.68325 1.72195 -0.77509 -1.00614 -1.00567 188 3PX 0.04787 -0.01040 -0.08222 0.00164 0.03929 189 3PY -0.26141 -1.32768 0.45581 0.70829 0.81272 190 3PZ 0.02175 0.62694 0.05449 -0.07976 -0.34943 191 4XX -0.00127 -0.00520 -0.00988 0.00646 -0.00054 192 4YY 0.00090 0.00487 0.01001 -0.00012 0.00152 193 4ZZ -0.00677 -0.00815 0.00622 -0.00389 0.00613 194 4XY -0.01280 0.00855 0.00321 -0.01005 0.00607 195 4XZ 0.00304 -0.00603 -0.00062 0.00930 -0.00525 196 4YZ -0.00581 0.00293 -0.00176 0.00028 -0.02046 197 21 H 1S -0.00730 0.01376 0.06146 -0.01752 0.03966 198 2S -0.04482 0.73590 -0.06198 -0.30382 -0.41851 199 22 C 1S -0.01351 0.03756 -0.00111 -0.00954 -0.05147 200 2S 0.01791 -0.01383 0.02439 -0.03133 0.03623 201 2PX -0.00867 -0.02815 -0.02794 -0.04781 0.00343 202 2PY -0.02492 0.05057 0.00972 -0.02877 -0.08163 203 2PZ 0.06897 0.10023 -0.06373 -0.00061 -0.11641 204 3S 0.12280 -0.99793 -0.03666 0.32399 2.25192 205 3PX -0.22609 -0.30496 0.10433 0.13809 0.30669 206 3PY -0.04051 -0.16655 -0.08556 0.08737 -1.75681 207 3PZ 0.34706 0.89020 -0.19757 -0.38805 -0.84149 208 4XX 0.00221 -0.00394 0.00087 0.00494 -0.00639 209 4YY -0.00862 -0.01550 0.00490 0.00400 0.00200 210 4ZZ -0.00163 0.02743 0.00091 -0.01680 0.01684 211 4XY -0.00219 0.01056 0.00312 -0.00117 0.00243 212 4XZ -0.00509 -0.00387 0.00191 0.00303 -0.00999 213 4YZ 0.00284 -0.00880 0.00950 0.00258 -0.00652 214 23 H 1S -0.00363 -0.00152 0.03714 0.00031 0.02460 215 2S -0.33767 -0.33094 0.21812 0.13386 0.87247 71 72 73 74 75 V V V V V Eigenvalues -- 0.34142 0.35664 0.37177 0.43767 0.44568 1 1 C 1S 0.03525 -0.04358 -0.01222 -0.00796 -0.11557 2 2S -0.03256 0.10729 0.10104 -0.32450 0.05432 3 2PX 0.02048 0.13129 0.14102 -0.25482 0.11633 4 2PY -0.16649 0.05280 -0.10991 -0.11609 0.12996 5 2PZ -0.01765 -0.05445 -0.12108 -0.15467 -0.13307 6 3S -1.23579 0.90766 -0.81270 0.24725 3.64545 7 3PX 0.24925 0.21337 0.37745 0.17455 1.50748 8 3PY -1.41329 0.77809 -1.10125 0.20813 1.46560 9 3PZ -0.22484 -0.20713 -0.38255 0.12636 -1.18811 10 4XX -0.00975 0.00743 -0.00143 -0.01388 0.00389 11 4YY 0.03253 -0.00884 0.01221 -0.05463 -0.04564 12 4ZZ -0.00931 0.00960 0.00039 -0.00911 0.00329 13 4XY -0.00106 -0.00432 -0.00361 0.00125 0.00435 14 4XZ 0.00576 -0.00678 0.00411 0.02462 0.02500 15 4YZ 0.00274 0.00184 0.00372 -0.01922 -0.00574 16 2 C 1S 0.06108 0.03637 0.07237 0.00499 0.07095 17 2S -0.04861 -0.02306 -0.03125 -0.24548 -0.24047 18 2PX -0.11051 -0.01429 0.00472 -0.07480 0.21034 19 2PY -0.05169 0.04036 0.01336 -0.08512 -0.15913 20 2PZ 0.09885 -0.00270 -0.03369 -0.17620 -0.13495 21 3S -1.57253 -0.88360 -1.94851 0.41953 -0.84794 22 3PX -0.13292 -0.05036 0.17858 -0.01446 0.27489 23 3PY -0.27031 0.25962 0.48986 -0.14156 -2.35965 24 3PZ 0.00311 0.10880 -0.06875 0.11115 -0.50367 25 4XX 0.00694 0.00109 0.00538 -0.02250 -0.02554 26 4YY 0.00094 0.01215 0.00632 -0.00063 0.03968 27 4ZZ 0.00124 -0.00977 0.00124 -0.01927 -0.01489 28 4XY 0.01683 -0.00724 0.00108 0.00258 -0.00548 29 4XZ -0.01778 -0.00790 -0.03450 0.03441 0.02273 30 4YZ -0.01104 0.00969 0.00072 0.00178 0.01412 31 3 C 1S -0.08039 0.01505 -0.01891 0.00348 -0.06101 32 2S 0.12383 -0.00496 0.09405 -0.15447 -0.02790 33 2PX -0.16597 -0.01868 -0.17800 0.04147 0.06553 34 2PY 0.09474 -0.04023 -0.07303 -0.02061 0.15867 35 2PZ 0.15772 0.03912 0.11615 -0.13179 0.00713 36 3S 1.33184 -0.64748 -0.35018 0.24239 2.61374 37 3PX -0.66014 -0.30552 -0.29878 0.02298 -0.56423 38 3PY 0.60963 -0.66895 -0.58376 0.00825 1.97048 39 3PZ 0.72709 0.12846 0.31676 0.04064 0.58098 40 4XX 0.00145 -0.00841 0.00527 -0.00586 0.00237 41 4YY -0.01884 0.00226 0.00521 -0.02100 -0.00780 42 4ZZ 0.00942 0.00280 -0.00895 0.01378 0.00564 43 4XY 0.00169 0.00111 0.00633 -0.01637 -0.00152 44 4XZ 0.01114 0.00460 -0.00061 0.00749 0.00832 45 4YZ -0.00327 -0.00126 0.00032 0.01546 -0.00301 46 4 C 1S 0.08321 -0.01452 0.01942 0.00228 0.06066 47 2S -0.12573 0.00393 -0.09591 -0.14979 0.02707 48 2PX 0.17217 0.01838 0.17084 0.04093 -0.05830 49 2PY 0.08235 -0.03967 -0.08431 0.01541 0.16494 50 2PZ -0.16381 -0.03832 -0.11773 -0.12777 -0.01105 51 3S -1.41115 0.62466 0.33649 0.24180 -2.60331 52 3PX 0.72446 0.27604 0.27393 0.00615 0.66686 53 3PY 0.52522 -0.69442 -0.60891 0.00144 1.92907 54 3PZ -0.76514 -0.13521 -0.31080 0.04501 -0.60366 55 4XX -0.00102 0.00818 -0.00449 -0.00388 -0.00249 56 4YY 0.01826 -0.00278 -0.00616 -0.02313 0.00705 57 4ZZ -0.00846 -0.00250 0.00893 0.01357 -0.00450 58 4XY 0.00130 -0.00023 0.00607 0.01512 -0.00094 59 4XZ -0.01143 -0.00409 0.00024 0.00637 -0.00818 60 4YZ -0.00062 -0.00020 0.00031 -0.01547 -0.00333 61 5 C 1S -0.06322 -0.03648 -0.07253 0.00649 -0.07085 62 2S 0.05333 0.02417 0.02945 -0.25117 0.23971 63 2PX 0.12075 0.01868 -0.00465 -0.07328 -0.22181 64 2PY -0.06170 0.03774 0.01330 0.09104 -0.14507 65 2PZ -0.11255 0.00171 0.02722 -0.18045 0.13305 66 3S 1.61232 0.88827 1.95694 0.40027 0.84596 67 3PX 0.16810 0.07740 -0.13703 -0.00874 -0.42345 68 3PY -0.31313 0.23820 0.49661 0.14965 -2.33282 69 3PZ -0.04102 -0.12009 0.06019 0.12083 0.51740 70 4XX -0.00495 -0.00153 -0.00529 -0.02276 0.02413 71 4YY -0.00357 -0.01154 -0.00645 -0.00003 -0.03860 72 4ZZ -0.00092 0.00964 -0.00157 -0.01999 0.01529 73 4XY 0.01739 -0.00768 0.00094 -0.00109 -0.01060 74 4XZ 0.01674 0.00850 0.03473 0.03410 -0.02172 75 4YZ -0.01260 0.00907 -0.00153 -0.00398 0.01522 76 6 C 1S -0.03628 0.04339 0.01196 -0.00912 0.11549 77 2S 0.03442 -0.10390 -0.10322 -0.32336 -0.05578 78 2PX -0.02934 -0.12449 -0.15027 -0.24662 -0.11203 79 2PY -0.16314 0.06180 -0.09957 0.12978 0.13764 80 2PZ 0.01585 0.05540 0.11978 -0.15850 0.12870 81 3S 1.27348 -0.90403 0.82423 0.27268 -3.64354 82 3PX -0.33397 -0.16608 -0.44201 0.16913 -1.40805 83 3PY -1.36713 0.79717 -1.06892 -0.23702 1.56005 84 3PZ 0.22737 0.20387 0.38686 0.12207 1.18186 85 4XX 0.00973 -0.00771 0.00082 -0.01450 -0.00283 86 4YY -0.03227 0.00953 -0.01216 -0.05468 0.04479 87 4ZZ 0.00922 -0.00923 -0.00049 -0.00914 -0.00381 88 4XY -0.00523 -0.00346 -0.00485 -0.00428 0.00803 89 4XZ -0.00542 0.00646 -0.00370 0.02613 -0.02495 90 4YZ 0.00413 0.00143 0.00421 0.01775 -0.00433 91 7 H 1S -0.02552 0.00923 -0.02779 -0.03682 -0.14539 92 2S -0.12475 0.36954 0.15529 -0.06048 0.87897 93 8 H 1S -0.02422 0.02703 -0.02753 0.04502 -0.04734 94 2S 0.57426 0.20868 0.16562 -0.16662 0.44103 95 9 H 1S 0.02194 -0.02780 0.02797 0.04309 0.05250 96 2S -0.58048 -0.20856 -0.16467 -0.16345 -0.45581 97 10 H 1S 0.02900 -0.00711 0.02840 -0.03820 0.14450 98 2S 0.11171 -0.37280 -0.15832 -0.05188 -0.87654 99 11 O 1S -0.01071 -0.02779 -0.04152 0.00828 0.03249 100 2S 0.01039 0.03550 0.02532 0.02071 0.07970 101 2PX 0.10989 -0.06244 0.02056 -0.01314 -0.00837 102 2PY 0.03856 0.07683 0.07727 0.03074 0.11141 103 2PZ -0.05998 0.04757 -0.01327 0.00820 0.03444 104 3S 0.20514 0.49299 0.92068 -0.27496 -1.41919 105 3PX 0.10309 -0.00141 0.02937 -0.00482 -0.15632 106 3PY 0.12998 0.24588 0.41641 -0.11669 -0.39273 107 3PZ -0.06093 0.02193 0.02142 -0.00186 0.08673 108 4XX -0.00536 -0.00867 -0.02545 0.01377 0.04880 109 4YY -0.00189 -0.00454 -0.00925 0.00368 -0.00044 110 4ZZ -0.00440 -0.01645 -0.02642 0.01773 0.05470 111 4XY -0.00826 0.00286 0.00100 -0.00461 0.00518 112 4XZ -0.00903 -0.00268 -0.01343 0.00544 0.00766 113 4YZ 0.00859 -0.00256 0.00158 -0.01227 -0.00913 114 12 O 1S 0.01021 0.02719 0.04143 0.00799 -0.03243 115 2S -0.01019 -0.03437 -0.02453 0.02276 -0.07939 116 2PX -0.10934 0.06680 -0.01572 -0.01486 0.01729 117 2PY 0.04736 0.07276 0.07833 -0.03207 0.11035 118 2PZ 0.06319 -0.04728 0.01414 0.00860 -0.03487 119 3S -0.18945 -0.48060 -0.92021 -0.27599 1.41531 120 3PX -0.10564 0.01540 -0.00427 0.00302 0.13025 121 3PY 0.13260 0.24021 0.41734 0.11515 -0.40052 122 3PZ 0.06991 -0.01938 -0.01845 -0.00269 -0.08979 123 4XX 0.00386 0.00881 0.02569 0.01460 -0.04817 124 4YY 0.00328 0.00459 0.00937 0.00331 -0.00033 125 4ZZ 0.00405 0.01619 0.02651 0.01825 -0.05427 126 4XY -0.00863 0.00242 -0.00006 0.00404 0.00896 127 4XZ 0.00966 0.00263 0.01357 0.00615 -0.00815 128 4YZ 0.00835 -0.00280 0.00097 0.01224 -0.00830 129 13 C 1S 0.00031 -0.00041 -0.00028 0.00115 0.00027 130 2S 0.00063 0.00037 0.00009 -0.04175 -0.00014 131 2PX 0.00029 -0.00994 0.00245 -0.00147 0.00441 132 2PY -0.04301 -0.27183 0.07408 -0.00413 0.10580 133 2PZ 0.00032 -0.00018 -0.00059 -0.03834 0.00137 134 3S -0.01100 0.00636 0.01218 0.23199 -0.00232 135 3PX -0.01711 -0.00793 0.02483 -0.07623 0.00069 136 3PY -0.67354 -0.09628 0.75656 0.00188 -0.02083 137 3PZ -0.00623 0.01199 0.00846 0.20666 -0.00106 138 4XX -0.00118 -0.00005 0.00123 -0.00489 0.00011 139 4YY 0.00180 0.00046 -0.00129 0.00933 0.00003 140 4ZZ -0.00032 -0.00031 0.00024 -0.00111 -0.00001 141 4XY -0.02431 -0.00361 0.01736 0.00081 0.00085 142 4XZ 0.00046 -0.00048 0.00041 -0.00171 0.00000 143 4YZ 0.00313 -0.02257 0.00656 -0.00009 0.00401 144 14 H 1S 0.00120 0.00099 0.00002 -0.05873 -0.00120 145 2S -0.00746 -0.00400 0.00045 -0.03376 -0.00109 146 15 H 1S -0.00237 -0.00097 0.00077 0.00682 0.00097 147 2S -0.00246 0.00568 0.00023 0.09603 0.00308 148 16 C 1S 0.00199 -0.05048 0.00835 0.01474 0.01002 149 2S 0.00795 -0.00720 0.01102 -0.03978 -0.04052 150 2PX -0.13929 -0.07904 0.09779 -0.03367 0.01396 151 2PY -0.07890 0.06317 0.03748 0.05279 -0.01263 152 2PZ 0.11376 0.07256 -0.12932 -0.10023 -0.08502 153 3S -0.03196 1.72633 -0.25920 -0.29464 -0.34085 154 3PX -0.21355 -0.61394 0.45432 0.14467 0.18566 155 3PY -0.33957 0.92868 0.36976 -0.27655 -0.31140 156 3PZ 0.35937 1.43055 -0.70301 -0.05315 -0.29939 157 4XX 0.01105 0.00633 -0.00641 0.01341 0.00505 158 4YY 0.00204 0.00831 -0.00160 -0.02073 -0.00645 159 4ZZ -0.01175 -0.02063 0.01728 0.01266 -0.00409 160 4XY -0.01216 0.01952 -0.00343 0.00501 -0.00852 161 4XZ 0.00254 -0.00270 -0.00990 0.00633 0.01054 162 4YZ 0.00372 -0.01764 -0.00762 -0.00192 -0.00111 163 17 H 1S 0.03034 -0.00932 -0.03260 -0.05350 -0.00649 164 2S -0.13347 0.55138 0.09404 -0.03972 -0.17468 165 18 C 1S -0.01506 0.07230 0.03494 -0.01758 -0.02990 166 2S 0.00643 -0.00657 0.02583 -0.32989 -0.03662 167 2PX -0.01848 -0.10287 -0.07953 0.26374 0.10332 168 2PY 0.10433 0.03652 -0.22818 -0.16783 0.04796 169 2PZ 0.05380 0.20242 -0.15142 0.01542 0.03586 170 3S 0.86295 -2.66904 -1.45128 0.58483 0.92138 171 3PX 0.05597 -0.60940 0.07996 -0.19347 0.02861 172 3PY 1.16525 -0.66309 -1.85983 0.15367 0.19363 173 3PZ 0.23682 1.94459 -0.49206 -0.07356 -0.45620 174 4XX -0.00576 0.00233 0.00026 0.02065 0.00407 175 4YY -0.00535 0.00000 0.02625 -0.05788 -0.01540 176 4ZZ 0.01581 0.00221 -0.01130 -0.04371 -0.00901 177 4XY -0.00127 0.00423 0.00313 0.00892 -0.00458 178 4XZ 0.00021 0.00390 0.00160 0.02655 0.00734 179 4YZ 0.00088 -0.00782 0.00086 0.02234 -0.00064 180 19 H 1S 0.02740 0.05999 0.01321 -0.21608 -0.07721 181 2S 0.20975 -0.88752 -0.19935 -0.01012 0.11472 182 20 C 1S -0.00176 0.05138 -0.00777 0.01517 -0.01016 183 2S -0.00711 0.00544 -0.01101 -0.04512 0.04207 184 2PX 0.13063 0.08295 -0.09487 -0.03164 -0.01831 185 2PY -0.08805 0.06044 0.04500 -0.04803 -0.01211 186 2PZ -0.11805 -0.07382 0.12827 -0.09906 0.07609 187 3S 0.03012 -1.76163 0.24739 -0.30622 0.34056 188 3PX 0.19878 0.68732 -0.42853 0.16730 -0.20265 189 3PY -0.35910 0.90314 0.41140 0.26875 -0.29533 190 3PZ -0.37778 -1.45555 0.70643 -0.08095 0.30349 191 4XX -0.01205 -0.00354 0.00598 0.01286 -0.00537 192 4YY -0.00068 -0.01083 0.00215 -0.02126 0.00778 193 4ZZ 0.01209 0.02041 -0.01713 0.01303 0.00356 194 4XY -0.01060 0.01959 -0.00398 -0.00712 -0.00726 195 4XZ -0.00277 0.00161 0.00945 0.00698 -0.01029 196 4YZ 0.00383 -0.01802 -0.00858 0.00087 0.00051 197 21 H 1S -0.02799 0.01086 0.03436 -0.05431 0.00759 198 2S 0.13555 -0.56780 -0.09969 -0.04611 0.17604 199 22 C 1S 0.01453 -0.07303 -0.03508 -0.01809 0.02979 200 2S -0.00543 0.00872 -0.03049 -0.32845 0.03278 201 2PX 0.02952 0.10507 0.06584 0.27465 -0.09968 202 2PY 0.10348 0.02745 -0.23023 0.15155 0.05268 203 2PZ -0.05545 -0.20368 0.14993 0.01211 -0.03181 204 3S -0.84874 2.70201 1.45116 0.60052 -0.91342 205 3PX 0.03579 0.57464 -0.22267 -0.19258 -0.01442 206 3PY 1.17171 -0.69317 -1.85925 -0.13273 0.20172 207 3PZ -0.24220 -1.97160 0.48359 -0.10269 0.45367 208 4XX 0.00550 -0.00197 0.00041 0.01893 -0.00437 209 4YY 0.00555 0.00007 -0.02754 -0.05560 0.01584 210 4ZZ -0.01587 -0.00245 0.01083 -0.04405 0.00808 211 4XY -0.00168 0.00434 0.00067 -0.01560 -0.00290 212 4XZ 0.00043 -0.00434 -0.00125 0.02466 -0.00646 213 4YZ 0.00133 -0.00687 0.00069 -0.02434 -0.00022 214 23 H 1S -0.02608 -0.05677 -0.01505 -0.21532 0.07454 215 2S -0.20588 0.89654 0.20351 0.00134 -0.11819 76 77 78 79 80 V V V V V Eigenvalues -- 0.48207 0.48299 0.50823 0.52145 0.52781 1 1 C 1S -0.01227 -0.01365 -0.01623 0.02070 -0.00397 2 2S 0.06033 -0.22320 -0.15204 0.03405 0.00111 3 2PX -0.14933 0.03525 0.12594 -0.28406 0.01852 4 2PY 0.21123 -0.03440 -0.19003 0.34223 0.00302 5 2PZ -0.07002 0.24316 -0.09090 0.02949 0.02424 6 3S 1.85423 1.31746 -0.09932 0.30249 0.53918 7 3PX -0.16276 -0.20836 -0.15170 0.35298 -0.08824 8 3PY 2.58884 1.79298 0.40747 -0.53512 0.84976 9 3PZ 0.41713 0.06562 0.18115 -0.10112 0.10215 10 4XX 0.00162 0.00227 -0.01165 -0.01310 0.00597 11 4YY 0.02481 -0.03746 -0.03519 0.04564 0.00221 12 4ZZ -0.00046 0.00062 -0.00555 -0.01280 0.00013 13 4XY -0.01787 0.01744 -0.01104 -0.01142 -0.00231 14 4XZ -0.01306 0.00047 0.03579 -0.00926 -0.00366 15 4YZ 0.01091 -0.00492 0.00307 -0.00361 0.00207 16 2 C 1S 0.01563 0.02716 0.00785 -0.00545 -0.00505 17 2S 0.05867 -0.32925 -0.03718 0.05295 0.03747 18 2PX -0.36544 -0.07885 0.16881 -0.04993 -0.04615 19 2PY 0.02729 -0.10732 -0.13035 0.01896 -0.04150 20 2PZ 0.17847 0.32318 0.14507 0.08104 0.06446 21 3S -0.43498 0.34204 0.20759 -0.30193 -0.09491 22 3PX -1.36167 -0.84868 -0.41241 0.04280 -0.52679 23 3PY -0.67147 -0.47629 -0.05121 -0.10542 -0.30971 24 3PZ 1.13555 0.45912 0.02805 -0.12659 0.25503 25 4XX 0.00812 -0.02308 0.00870 -0.00074 -0.01362 26 4YY 0.00825 0.01277 -0.01144 -0.00569 -0.00838 27 4ZZ 0.00347 -0.02605 0.00959 0.00315 0.01211 28 4XY 0.01819 0.01148 -0.01514 0.03135 -0.01183 29 4XZ -0.00980 0.03503 -0.02349 0.01574 -0.00578 30 4YZ -0.01237 -0.00299 0.00635 -0.02554 -0.00166 31 3 C 1S -0.04010 -0.02414 -0.00539 -0.00977 -0.00849 32 2S 0.19438 -0.06715 0.08109 -0.03511 -0.22254 33 2PX -0.23123 0.22240 0.00371 -0.01568 -0.16678 34 2PY 0.04081 -0.18632 0.05980 -0.26272 -0.04024 35 2PZ 0.06759 0.16508 0.08896 0.08919 -0.14057 36 3S 0.53232 0.20825 0.19905 -0.01261 1.00779 37 3PX -1.09078 -0.98390 -0.10777 -0.02064 0.08525 38 3PY -1.35405 -0.49751 -0.21908 0.32285 -0.26875 39 3PZ 0.75067 0.16083 -0.01455 -0.08756 0.75021 40 4XX 0.00350 -0.00726 0.00062 0.01134 -0.00051 41 4YY 0.00821 -0.04006 0.03028 -0.04465 -0.00005 42 4ZZ -0.00034 0.02133 -0.02154 0.02560 -0.02349 43 4XY -0.00783 -0.01617 0.01024 0.00825 0.00431 44 4XZ 0.00330 0.03228 -0.00179 -0.00143 0.02596 45 4YZ -0.00066 0.01552 -0.00082 0.01973 0.00109 46 4 C 1S 0.04067 0.02474 -0.00370 -0.00830 0.01029 47 2S -0.02115 -0.21002 0.09230 -0.00054 0.21860 48 2PX -0.09631 0.31602 0.01296 0.02714 0.16465 49 2PY -0.13766 0.10157 -0.05333 0.25337 -0.08536 50 2PZ -0.17479 0.01966 0.09805 0.11147 0.12110 51 3S -0.49234 -0.38861 0.11985 -0.16720 -0.99325 52 3PX 1.31975 0.45424 -0.11662 -0.05597 -0.07851 53 3PY -1.17981 -1.00040 0.25951 -0.37215 -0.23511 54 3PZ -0.50833 -0.58534 -0.05522 -0.20473 -0.71693 55 4XX 0.00176 -0.00679 -0.00011 0.01065 0.00067 56 4YY 0.03499 -0.02720 0.03231 -0.04367 0.00467 57 4ZZ -0.01739 0.01019 -0.02014 0.02933 0.02086 58 4XY -0.01688 -0.00029 -0.00757 -0.01061 0.00718 59 4XZ -0.03018 0.01218 -0.00177 -0.00563 -0.02294 60 4YZ 0.01537 -0.00735 0.00074 -0.01790 0.00727 61 5 C 1S -0.03163 -0.00219 0.00710 -0.00421 0.00522 62 2S 0.26232 -0.20644 -0.03412 0.04367 -0.04265 63 2PX 0.23997 0.28800 0.17652 -0.04411 0.04165 64 2PY -0.09369 0.05797 0.11909 -0.02160 -0.04699 65 2PZ -0.37153 -0.01268 0.15038 0.06827 -0.08608 66 3S -0.05349 0.58330 0.22071 -0.27784 0.14857 67 3PX 1.34791 0.78272 -0.40621 0.13438 0.51824 68 3PY -0.82912 -0.42837 0.05186 0.05075 -0.35436 69 3PZ -0.95933 -0.79147 0.03601 -0.16895 -0.23736 70 4XX 0.01897 -0.01575 0.01125 -0.00198 0.01263 71 4YY -0.01726 -0.00331 -0.01379 -0.00054 0.01062 72 4ZZ 0.02143 -0.01588 0.00996 0.00078 -0.01307 73 4XY 0.01609 0.01179 0.01308 -0.03300 -0.00746 74 4XZ -0.02709 0.02457 -0.02400 0.01821 0.00384 75 4YZ -0.00701 -0.01150 -0.00496 0.02381 -0.00587 76 6 C 1S 0.01726 0.00434 -0.01530 0.02090 0.00142 77 2S 0.16331 -0.16117 -0.15288 0.03413 0.00314 78 2PX 0.04392 0.16213 0.13601 -0.30411 0.02644 79 2PY 0.06957 0.19556 0.18201 -0.31958 0.04669 80 2PZ -0.18752 0.17522 -0.09147 0.02608 -0.02363 81 3S -2.02863 -1.01539 -0.12247 0.21593 -0.57590 82 3PX 0.43833 0.12783 -0.19214 0.40730 0.08476 83 3PY 2.77521 1.42636 -0.39172 0.64231 0.76886 84 3PZ -0.26203 -0.33764 0.19378 -0.12185 -0.09821 85 4XX -0.00236 -0.00357 -0.01043 -0.01259 -0.00359 86 4YY 0.01949 -0.03733 -0.03591 0.04332 -0.00699 87 4ZZ -0.00057 0.00089 -0.00571 -0.01273 0.00226 88 4XY 0.00859 -0.02670 0.00966 0.01489 -0.00524 89 4XZ 0.00700 0.01302 0.03516 -0.00815 0.00324 90 4YZ 0.00021 0.01132 -0.00527 0.00414 0.00138 91 7 H 1S -0.00144 0.03257 -0.17193 0.08189 0.00186 92 2S 0.36591 0.11601 0.06765 0.01454 0.09999 93 8 H 1S -0.05700 -0.04829 -0.09788 0.02821 -0.02388 94 2S 0.11222 -0.06660 -0.02558 -0.08397 0.13597 95 9 H 1S 0.06947 0.02551 -0.09741 0.03028 0.02275 96 2S -0.00036 -0.12547 -0.03892 -0.09681 -0.11066 97 10 H 1S -0.03193 0.01547 -0.17012 0.08023 -0.00584 98 2S -0.27278 -0.27026 0.06136 -0.00013 -0.10445 99 11 O 1S 0.00906 0.00717 0.00888 0.00253 0.00919 100 2S 0.00648 0.06824 -0.01350 -0.00209 -0.00165 101 2PX 0.00205 -0.01520 -0.01317 0.13551 -0.00622 102 2PY 0.01113 0.07544 -0.02413 -0.02060 -0.01529 103 2PZ 0.01299 0.01504 0.04847 -0.08702 0.01688 104 3S -0.37695 -0.51889 -0.14523 -0.02114 -0.23187 105 3PX 0.19055 0.11216 0.02454 0.00429 0.04880 106 3PY -0.11416 -0.17008 -0.08640 -0.00100 -0.08973 107 3PZ -0.18852 -0.08175 -0.02561 -0.00309 -0.04211 108 4XX 0.00281 0.02781 0.00470 -0.00566 0.00569 109 4YY 0.00094 0.00286 0.00460 0.00608 0.01059 110 4ZZ 0.00915 0.03137 0.00315 0.00773 0.00416 111 4XY -0.01358 -0.00098 0.01685 -0.01421 0.00372 112 4XZ -0.00154 0.01430 -0.00450 -0.00023 -0.00025 113 4YZ 0.00213 0.01318 0.00661 0.01480 0.00074 114 12 O 1S -0.01016 -0.00419 0.00859 0.00115 -0.00966 115 2S -0.06254 0.02436 -0.01323 -0.00192 0.00304 116 2PX 0.01844 -0.01192 -0.01090 0.13616 -0.01570 117 2PY 0.07180 -0.02337 0.02727 0.00848 -0.01858 118 2PZ -0.01859 -0.00278 0.04925 -0.08894 -0.00527 119 3S 0.62475 0.08619 -0.13282 0.01219 0.23146 120 3PX -0.20303 -0.11712 0.02924 -0.00476 -0.05698 121 3PY -0.18547 -0.00966 0.08070 -0.01131 -0.08627 122 3PZ 0.16300 0.12904 -0.02710 0.00356 0.04375 123 4XX -0.02610 0.00920 0.00225 -0.00477 -0.00441 124 4YY -0.00176 0.00186 0.00720 0.00244 -0.01167 125 4ZZ -0.03139 0.00610 0.00323 0.00706 -0.00522 126 4XY -0.00550 -0.01211 -0.01661 0.01541 0.00187 127 4XZ -0.01095 0.00786 -0.00499 -0.00105 0.00086 128 4YZ 0.01328 -0.00428 -0.00659 -0.01440 0.00352 129 13 C 1S -0.00494 0.00855 -0.02612 -0.00424 0.00115 130 2S 0.00093 0.00113 0.01529 0.04645 -0.00331 131 2PX 0.03193 -0.05776 0.02426 0.02729 0.02123 132 2PY -0.02157 -0.00805 0.01517 0.05137 0.62700 133 2PZ -0.02566 0.04163 -0.07750 0.03018 -0.00096 134 3S 0.12299 -0.22867 0.30612 -0.19083 0.00500 135 3PX -0.14134 0.26502 -0.62411 -0.13391 0.00070 136 3PY 0.14918 0.07463 0.00155 -0.05687 -0.69068 137 3PZ 0.10949 -0.19612 0.65498 0.04281 -0.02397 138 4XX 0.00092 -0.00287 -0.00501 0.03595 -0.00431 139 4YY 0.00057 0.00095 -0.03233 -0.03648 0.00479 140 4ZZ -0.00021 0.00013 0.01981 0.00183 -0.00008 141 4XY -0.01185 -0.00724 -0.00063 -0.00327 -0.00117 142 4XZ 0.00878 -0.01571 0.02954 0.01710 -0.00267 143 4YZ -0.00678 -0.00291 -0.00192 -0.00121 -0.00715 144 14 H 1S 0.01424 -0.02374 0.16780 0.18382 -0.02315 145 2S -0.02253 0.03719 0.14683 -0.02207 0.00228 146 15 H 1S -0.01397 0.02102 0.05380 0.01082 0.00040 147 2S 0.01673 -0.03734 0.25961 0.08487 -0.01733 148 16 C 1S 0.01340 -0.00407 0.02849 0.01268 -0.02493 149 2S -0.02118 -0.12752 0.01001 -0.01397 0.08203 150 2PX 0.03047 0.20972 0.02666 0.01047 -0.32355 151 2PY -0.03695 -0.05649 -0.11052 -0.11538 0.12248 152 2PZ -0.01894 -0.04385 0.20513 0.04457 -0.21793 153 3S -0.33657 0.26241 -0.41449 -0.03726 -0.44553 154 3PX 0.16489 -0.20245 -0.10377 0.01038 0.64226 155 3PY -0.13306 0.22946 -0.29710 0.13348 -0.28559 156 3PZ -0.42549 -0.19299 -0.38299 -0.01474 0.43571 157 4XX 0.00612 0.00545 -0.03217 -0.02629 0.02908 158 4YY -0.01547 0.00261 0.00457 0.03564 -0.03173 159 4ZZ 0.01242 -0.02451 0.03417 0.00097 -0.01747 160 4XY 0.00547 -0.00044 -0.00385 -0.02492 -0.04060 161 4XZ -0.00638 0.01919 -0.00680 0.00782 0.03043 162 4YZ 0.01390 -0.00644 0.03953 0.00932 0.00093 163 17 H 1S -0.02117 0.01887 0.16202 0.20210 -0.23047 164 2S -0.11653 0.01445 -0.20897 -0.04306 -0.06563 165 18 C 1S -0.02046 -0.00899 -0.01317 -0.00418 0.01156 166 2S -0.01200 0.02431 0.12687 0.06848 -0.14481 167 2PX 0.01583 0.11970 0.10851 0.20019 -0.23273 168 2PY -0.09379 0.09677 -0.27007 -0.10421 0.12895 169 2PZ -0.11731 0.12336 -0.20583 0.04081 0.06330 170 3S 0.50787 0.17476 0.00983 -0.10094 0.00703 171 3PX 0.13655 0.00837 -0.08860 -0.18077 0.05924 172 3PY 0.12813 -0.15985 0.39607 0.10207 -0.27120 173 3PZ -0.37216 -0.37098 0.06490 -0.02972 -0.00633 174 4XX 0.00885 -0.00366 0.01035 0.00590 -0.00549 175 4YY -0.01030 0.01720 -0.01790 -0.00500 -0.02717 176 4ZZ -0.00554 -0.01990 0.02525 0.01130 0.00545 177 4XY -0.00701 0.00826 0.00948 0.01616 0.00225 178 4XZ 0.00395 -0.00374 -0.03393 -0.01083 0.01979 179 4YZ 0.00680 -0.00970 -0.01479 -0.02031 -0.00286 180 19 H 1S -0.07171 0.05774 0.07334 0.09047 -0.03836 181 2S 0.19860 0.07357 0.01734 -0.07273 -0.12143 182 20 C 1S -0.00234 -0.01398 0.02920 0.01596 0.02110 183 2S 0.12014 -0.03935 0.01188 -0.02187 -0.06624 184 2PX -0.20448 0.07320 0.05006 0.07253 0.32529 185 2PY -0.05259 -0.01407 0.12059 0.12990 0.07430 186 2PZ 0.04667 -0.00432 0.22278 0.07906 0.19007 187 3S -0.05186 0.42971 -0.38714 0.03955 0.43618 188 3PX 0.11160 -0.25583 -0.10952 -0.09834 -0.63514 189 3PY 0.11519 -0.21432 0.26774 -0.19008 -0.23018 190 3PZ 0.35751 0.29023 -0.41460 -0.07878 -0.39521 191 4XX -0.00638 -0.00282 -0.03294 -0.02846 -0.02792 192 4YY 0.00470 0.01504 0.00617 0.03837 0.03075 193 4ZZ 0.01607 -0.02251 0.03564 0.00440 0.01682 194 4XY 0.00344 0.00585 0.00477 0.02261 -0.04121 195 4XZ -0.01325 0.01501 -0.01223 0.00134 -0.03238 196 4YZ 0.00137 0.01404 -0.03923 -0.00934 0.00573 197 21 H 1S -0.00428 0.02675 0.17720 0.23526 0.18802 198 2S 0.04897 0.11260 -0.20463 -0.02305 0.07655 199 22 C 1S 0.01717 0.01379 -0.01230 -0.00531 -0.01044 200 2S -0.01426 0.02340 0.13561 0.09047 0.12249 201 2PX -0.10205 0.03502 0.13589 0.24240 0.19185 202 2PY 0.05445 -0.13156 0.27411 0.10720 0.08430 203 2PZ -0.05524 0.16236 -0.21246 0.02991 -0.06382 204 3S -0.39243 -0.37347 -0.01935 -0.12172 0.01326 205 3PX -0.08619 -0.10549 -0.11660 -0.20360 -0.03743 206 3PY -0.07724 0.19090 -0.38415 -0.11577 -0.23088 207 3PZ 0.50004 0.16402 0.07251 -0.01823 0.01184 208 4XX -0.00052 -0.01032 0.00878 0.00456 0.00563 209 4YY -0.01086 0.01801 -0.01359 0.00205 0.02683 210 4ZZ 0.02011 -0.00402 0.02493 0.00984 -0.00998 211 4XY 0.00259 -0.00822 -0.01141 -0.01590 0.00766 212 4XZ 0.00062 -0.00466 -0.03431 -0.01266 -0.01599 213 4YZ -0.00519 0.01119 0.01664 0.02032 -0.00564 214 23 H 1S -0.01558 0.09054 0.08047 0.09607 0.01582 215 2S -0.16049 -0.14435 0.01878 -0.05910 0.13245 81 82 83 84 85 V V V V V Eigenvalues -- 0.53784 0.55919 0.56306 0.56994 0.58785 1 1 C 1S 0.01420 0.01102 0.00895 0.00665 -0.00221 2 2S -0.04908 0.08397 -0.03807 0.09386 -0.25051 3 2PX -0.03475 -0.11753 -0.18381 -0.00814 0.03842 4 2PY 0.15332 0.02870 0.00125 0.06137 0.08314 5 2PZ 0.31994 -0.00260 -0.20081 -0.00466 0.34995 6 3S 0.19833 0.00743 -0.68618 0.03470 0.23450 7 3PX 0.11564 0.16063 0.01888 -0.01702 -0.00980 8 3PY -0.23541 -0.10472 -0.59177 -0.16232 -0.08484 9 3PZ -0.33027 -0.05558 0.28126 -0.00001 -0.35704 10 4XX 0.00747 0.01761 -0.01744 -0.00713 -0.00494 11 4YY 0.00817 0.00399 -0.00794 0.01956 -0.02300 12 4ZZ -0.01010 0.01488 0.00843 0.00862 -0.02784 13 4XY 0.01584 0.00656 0.01303 -0.00161 0.01001 14 4XZ -0.02107 -0.04172 0.00336 -0.01824 0.02847 15 4YZ 0.00292 -0.00614 0.00839 -0.00515 0.01905 16 2 C 1S -0.01850 -0.02237 0.00780 0.00822 -0.00272 17 2S -0.04723 0.11607 -0.11033 -0.09476 -0.06712 18 2PX 0.07179 -0.06552 -0.26165 -0.15138 0.13090 19 2PY 0.00440 0.11558 0.08592 0.01963 0.06372 20 2PZ 0.16599 -0.06274 -0.33448 0.06602 -0.00689 21 3S -0.16572 -0.39429 0.08160 0.20021 -0.34067 22 3PX -0.03705 0.24047 0.40640 0.41925 -0.37763 23 3PY -0.10469 0.07698 0.54403 0.23292 -0.01448 24 3PZ -0.17384 -0.07981 0.32709 -0.10276 0.14231 25 4XX -0.03731 -0.00652 0.00637 0.01264 -0.03381 26 4YY 0.00170 0.00157 -0.00310 -0.00729 0.01287 27 4ZZ -0.01257 -0.01016 -0.01699 -0.01690 -0.01030 28 4XY 0.00401 -0.01694 0.00790 0.00647 0.01976 29 4XZ 0.03666 0.03779 0.00406 -0.01169 0.02840 30 4YZ -0.01238 0.01608 -0.00643 -0.01229 -0.01085 31 3 C 1S -0.00094 0.02531 0.01640 -0.01157 0.00459 32 2S -0.16203 0.08090 -0.02886 0.09124 0.02752 33 2PX 0.10786 0.24847 -0.11311 0.09949 -0.15361 34 2PY 0.02153 0.29234 -0.03003 -0.14898 0.14391 35 2PZ -0.13030 -0.16409 0.03039 0.20822 -0.15665 36 3S 0.25091 -0.26674 -0.54759 -0.51780 0.46852 37 3PX -0.07851 -0.26501 0.30712 -0.10346 0.18133 38 3PY -0.02345 -0.31766 -0.29750 0.31636 -0.37451 39 3PZ 0.23300 0.08532 -0.32757 -0.45511 0.31269 40 4XX 0.00423 -0.03916 -0.00010 0.00903 0.01699 41 4YY -0.02053 0.04721 -0.00464 -0.00119 0.01486 42 4ZZ -0.01354 0.01135 0.00215 -0.01936 -0.00897 43 4XY -0.01702 0.01487 -0.00361 -0.01676 -0.02913 44 4XZ -0.00487 -0.02830 0.00230 0.00731 -0.05843 45 4YZ -0.00300 0.01995 0.00580 -0.01595 0.01816 46 4 C 1S 0.00035 0.02528 -0.01863 -0.00973 0.00615 47 2S -0.16551 0.08208 0.01843 0.08162 0.03018 48 2PX 0.10489 0.24415 0.09597 0.10384 -0.15754 49 2PY -0.02862 -0.29999 -0.01000 0.14167 -0.12538 50 2PZ -0.13225 -0.16189 -0.01276 0.20657 -0.15661 51 3S 0.21734 -0.22657 0.56868 -0.55181 0.44758 52 3PX -0.05132 -0.27165 -0.29542 -0.09228 0.19283 53 3PY 0.03319 0.30530 -0.30763 -0.25711 0.36559 54 3PZ 0.20957 0.11328 0.31174 -0.46721 0.30119 55 4XX 0.00587 -0.03914 0.00396 0.01204 0.01962 56 4YY -0.02202 0.04997 0.00002 -0.00394 0.01433 57 4ZZ -0.01419 0.01214 -0.00389 -0.01970 -0.00873 58 4XY 0.01506 -0.01018 0.00008 0.01634 0.02783 59 4XZ -0.00518 -0.02868 -0.00048 0.00997 -0.06076 60 4YZ 0.00345 -0.01811 0.00813 0.01510 -0.01548 61 5 C 1S -0.01941 -0.02363 -0.00606 0.00765 -0.00288 62 2S -0.04483 0.12755 0.09100 -0.09158 -0.06207 63 2PX 0.06959 -0.04816 0.26818 -0.16569 0.12235 64 2PY -0.00876 -0.10333 0.07456 -0.01552 -0.07419 65 2PZ 0.15766 -0.03239 0.34139 0.05204 -0.01680 66 3S -0.14798 -0.39497 -0.05124 0.19783 -0.35835 67 3PX -0.00489 0.20396 -0.37801 0.41678 -0.37174 68 3PY 0.08256 -0.05911 0.56742 -0.29926 0.02775 69 3PZ -0.17976 -0.11089 -0.32629 -0.08530 0.15299 70 4XX -0.03693 -0.00459 -0.00621 0.01240 -0.03492 71 4YY 0.00136 -0.00150 0.00257 -0.00682 0.01376 72 4ZZ -0.01261 -0.00825 0.01603 -0.01708 -0.01000 73 4XY -0.00074 0.01849 0.00588 -0.00778 -0.01559 74 4XZ 0.03722 0.03582 -0.00532 -0.01114 0.02926 75 4YZ 0.00967 -0.01941 -0.00362 0.01328 0.00891 76 6 C 1S 0.01486 0.01054 -0.00919 0.00795 -0.00172 77 2S -0.04838 0.08736 0.02441 0.09253 -0.25248 78 2PX -0.04345 -0.10378 0.18487 -0.02067 0.02087 79 2PY -0.14710 -0.02225 -0.01578 -0.05760 -0.08138 80 2PZ 0.31916 0.01243 0.21291 -0.01354 0.33652 81 3S 0.16046 0.05104 0.69968 -0.01239 0.22110 82 3PX 0.12513 0.15622 -0.05895 -0.01095 0.01152 83 3PY 0.26275 0.05227 -0.58031 0.19184 0.09532 84 3PZ -0.33071 -0.06993 -0.28822 0.01869 -0.33869 85 4XX 0.00556 0.01838 0.01684 -0.00745 -0.00688 86 4YY 0.01005 0.00540 0.00628 0.01991 -0.02170 87 4ZZ -0.00991 0.01406 -0.00992 0.00896 -0.02754 88 4XY -0.01586 -0.00650 0.01241 0.00309 -0.01161 89 4XZ -0.02118 -0.04130 -0.00015 -0.01865 0.02704 90 4YZ -0.00176 0.00935 0.00787 0.00577 -0.02120 91 7 H 1S 0.13472 0.18061 -0.00156 0.06547 -0.05664 92 2S -0.03516 -0.05355 -0.15716 -0.04497 0.03782 93 8 H 1S 0.01456 0.15738 0.07176 -0.17544 0.15039 94 2S -0.00698 -0.02234 -0.14729 -0.04194 -0.18370 95 9 H 1S 0.01655 0.15404 -0.08795 -0.17262 0.15792 96 2S -0.02010 -0.00262 0.13931 -0.05760 -0.19019 97 10 H 1S 0.13571 0.18088 -0.00756 0.06844 -0.05556 98 2S -0.04253 -0.04419 0.15868 -0.05614 0.03490 99 11 O 1S 0.00594 -0.00429 -0.01687 -0.01017 -0.00322 100 2S -0.03586 -0.01815 0.02662 0.01636 -0.02797 101 2PX 0.02835 -0.07450 -0.04659 -0.03794 0.06847 102 2PY 0.00732 -0.01225 0.02558 0.02272 0.02809 103 2PZ 0.00628 0.06220 -0.08080 -0.03847 -0.02610 104 3S -0.03948 0.19189 0.38534 0.17153 0.10235 105 3PX -0.01181 -0.02833 0.02170 -0.00234 0.04971 106 3PY -0.03793 0.09497 0.17193 0.08385 0.03975 107 3PZ -0.00179 0.02172 0.00285 0.01670 -0.02217 108 4XX 0.00136 -0.00688 -0.00589 -0.00369 0.00189 109 4YY -0.01388 -0.00301 0.00024 -0.00120 -0.02670 110 4ZZ -0.00416 -0.00914 -0.00241 -0.00484 -0.01100 111 4XY 0.00139 0.00245 -0.01768 -0.01272 0.00043 112 4XZ 0.00256 0.00085 -0.00381 0.00176 -0.00059 113 4YZ 0.01120 -0.01000 -0.01846 0.00797 0.00166 114 12 O 1S 0.00587 -0.00301 0.01671 -0.01100 -0.00370 115 2S -0.03603 -0.01926 -0.02535 0.01564 -0.02564 116 2PX 0.02719 -0.06787 0.05362 -0.04380 0.06493 117 2PY -0.00691 0.02101 0.01846 -0.01905 -0.03077 118 2PZ 0.00620 0.06907 0.07231 -0.04065 -0.02934 119 3S -0.02988 0.16519 -0.39117 0.20095 0.11228 120 3PX -0.01335 -0.03615 -0.00645 -0.00699 0.04831 121 3PY 0.03657 -0.08088 0.17606 -0.09485 -0.04981 122 3PZ 0.00001 0.02216 -0.00258 0.01646 -0.02163 123 4XX 0.00099 -0.00705 0.00456 -0.00304 0.00135 124 4YY -0.01298 -0.00128 0.00081 -0.00270 -0.02501 125 4ZZ -0.00439 -0.00863 0.00270 -0.00572 -0.01046 126 4XY -0.00236 -0.00372 -0.01716 0.01337 -0.00241 127 4XZ 0.00168 0.00169 0.00268 0.00080 -0.00074 128 4YZ -0.01081 0.00811 -0.01984 -0.00713 -0.00116 129 13 C 1S -0.00525 -0.00821 -0.00009 -0.02118 -0.02207 130 2S -0.10628 0.21112 -0.00667 0.12526 0.09971 131 2PX 0.18708 -0.45991 0.00907 -0.24402 -0.16462 132 2PY -0.01184 0.01099 -0.11869 0.01135 0.01367 133 2PZ -0.22283 0.12132 0.00222 0.22660 0.23418 134 3S 0.56468 -0.42994 0.00762 -0.15276 -0.08213 135 3PX -0.54095 0.83175 -0.01580 0.57907 0.01020 136 3PY 0.02330 -0.02241 0.07836 -0.02365 -0.00726 137 3PZ 0.69885 -0.16466 -0.01101 -0.33722 -0.23456 138 4XX -0.03923 -0.03203 0.00231 -0.00537 0.02462 139 4YY -0.00617 0.00252 0.00038 0.05140 0.00672 140 4ZZ 0.04298 0.03824 -0.00355 -0.05258 -0.04069 141 4XY 0.00128 0.00268 0.01486 0.00238 -0.00084 142 4XZ 0.01050 -0.05525 0.00226 0.02285 0.02155 143 4YZ -0.00064 0.00099 -0.01530 -0.00035 -0.00118 144 14 H 1S -0.10403 -0.14071 0.00368 -0.02224 0.06792 145 2S 0.07679 0.04757 -0.00599 -0.15069 -0.07477 146 15 H 1S 0.16533 0.08676 -0.01435 -0.32061 -0.23003 147 2S 0.12194 -0.05369 -0.00096 0.01721 0.08726 148 16 C 1S 0.01114 0.01648 0.01024 0.01428 0.00868 149 2S -0.04781 0.00877 -0.13359 -0.18667 0.11314 150 2PX -0.07055 0.18491 0.07228 0.18756 -0.18435 151 2PY 0.04337 -0.12832 0.01762 -0.01182 0.00507 152 2PZ -0.03900 0.06021 -0.26119 0.17147 0.26948 153 3S -0.44715 0.25578 -0.01606 0.70184 -0.33260 154 3PX 0.04033 -0.40080 -0.02412 -0.40867 0.42431 155 3PY -0.52221 0.28137 -0.23648 0.09155 -0.19992 156 3PZ -0.18568 -0.26225 0.28664 -0.34672 -0.31791 157 4XX 0.01686 -0.01446 0.00981 0.00402 -0.01056 158 4YY -0.03517 0.05476 -0.00983 -0.04908 -0.00387 159 4ZZ 0.00005 -0.01826 -0.01318 0.04010 0.02685 160 4XY -0.01640 0.04598 0.01557 0.03025 0.02733 161 4XZ 0.00549 -0.02947 0.00432 -0.03466 -0.02050 162 4YZ 0.02516 0.02066 -0.00299 -0.02513 -0.02474 163 17 H 1S -0.01079 0.13862 -0.04664 -0.16625 -0.13182 164 2S -0.19777 -0.06727 -0.10624 0.08644 -0.04167 165 18 C 1S -0.01012 -0.00968 -0.05586 -0.01589 0.00869 166 2S -0.28096 0.05963 -0.00297 0.04522 0.11695 167 2PX -0.30149 0.05428 0.07803 -0.05685 0.19290 168 2PY -0.18809 -0.08166 0.26559 -0.05139 0.06910 169 2PZ -0.21528 -0.01763 0.07651 -0.27919 0.03241 170 3S 0.44021 -0.10266 0.64661 -0.01085 0.13080 171 3PX 0.29398 0.11946 0.01584 0.11603 -0.17195 172 3PY 0.30510 0.16527 0.25000 0.01170 -0.08322 173 3PZ 0.05675 -0.05478 -0.19502 0.37547 -0.17415 174 4XX 0.00855 0.00573 0.04229 0.00306 -0.01709 175 4YY -0.06228 -0.00411 -0.05862 0.00911 0.02532 176 4ZZ -0.00458 0.00311 -0.03127 -0.02501 0.02933 177 4XY -0.02248 0.02245 -0.00513 -0.02394 -0.00621 178 4XZ 0.01753 -0.00091 0.03424 0.01946 -0.01333 179 4YZ -0.00860 -0.01360 0.00337 0.04845 0.05374 180 19 H 1S -0.08319 0.07836 -0.26844 -0.27353 -0.05269 181 2S 0.08139 0.08810 0.19331 0.10051 0.14758 182 20 C 1S 0.01047 0.01649 -0.01216 0.01465 0.00996 183 2S -0.05030 0.02622 0.13223 -0.18712 0.10523 184 2PX -0.07575 0.18263 -0.09107 0.18908 -0.18323 185 2PY -0.04070 0.12067 0.00785 -0.00098 0.01302 186 2PZ -0.03810 0.07630 0.27018 0.16248 0.25670 187 3S -0.44263 0.23923 0.02048 0.68384 -0.30731 188 3PX 0.07840 -0.40887 0.05045 -0.40204 0.42653 189 3PY 0.52030 -0.27467 -0.22042 -0.05008 0.16185 190 3PZ -0.18331 -0.26973 -0.28209 -0.33604 -0.30995 191 4XX 0.01937 -0.02006 -0.00536 -0.00024 -0.01323 192 4YY -0.03786 0.06157 0.00005 -0.04478 -0.00027 193 4ZZ -0.00074 -0.01566 0.01629 0.03930 0.02735 194 4XY 0.01196 -0.03730 0.01718 -0.03438 -0.02609 195 4XZ 0.00455 -0.03190 -0.00349 -0.03367 -0.01904 196 4YZ -0.02558 -0.01878 0.00174 0.02799 0.02673 197 21 H 1S -0.01252 0.14943 0.01470 -0.16836 -0.12670 198 2S -0.20001 -0.06242 0.12195 0.07192 -0.03964 199 22 C 1S -0.00969 -0.00507 0.05676 -0.01778 0.00618 200 2S -0.28426 0.06274 0.00317 0.04275 0.12397 201 2PX -0.28774 0.05589 -0.06482 -0.05005 0.19270 202 2PY 0.21150 0.10322 0.25525 0.04499 -0.08945 203 2PZ -0.21214 -0.02878 -0.07750 -0.27498 0.02880 204 3S 0.44158 -0.17092 -0.63309 0.01528 0.13781 205 3PX 0.27187 0.10174 -0.00567 0.11373 -0.17036 206 3PY -0.32388 -0.14865 0.27459 -0.02574 0.08829 207 3PZ 0.05748 -0.03551 0.20934 0.36681 -0.16848 208 4XX 0.01078 -0.00074 -0.04289 0.00771 -0.01411 209 4YY -0.06478 0.00429 0.06029 0.00359 0.02312 210 4ZZ -0.00457 0.00513 0.03072 -0.02645 0.02742 211 4XY 0.01596 -0.02247 0.00708 0.02405 0.00998 212 4XZ 0.01814 -0.00239 -0.03457 0.01762 -0.01590 213 4YZ 0.00709 0.01389 -0.00021 -0.04991 -0.05283 214 23 H 1S -0.08297 0.10034 0.24647 -0.28419 -0.06262 215 2S 0.07666 0.07327 -0.19368 0.10758 0.15306 86 87 88 89 90 V V V V V Eigenvalues -- 0.59678 0.61744 0.62732 0.65338 0.66370 1 1 C 1S -0.01211 -0.00171 -0.00417 0.00973 0.01985 2 2S -0.05632 0.03235 -0.02736 -0.01647 0.14235 3 2PX 0.17761 0.18468 0.23289 0.20422 -0.03266 4 2PY -0.04387 -0.05245 0.01329 -0.03245 -0.32137 5 2PZ 0.06570 0.19817 0.26527 0.32529 -0.32132 6 3S -0.01739 0.26427 0.06684 -0.36573 -0.27040 7 3PX -0.23339 -0.12725 -0.33418 -0.23265 0.23053 8 3PY 0.05669 0.23506 -0.04397 -0.68020 0.02846 9 3PZ -0.03484 -0.36133 -0.36182 -0.72766 0.32954 10 4XX -0.01359 0.00326 0.00683 0.01250 -0.01027 11 4YY -0.00530 0.01541 -0.00061 -0.00490 0.07686 12 4ZZ -0.01293 -0.00653 -0.02090 -0.00369 0.00239 13 4XY 0.00606 -0.00633 0.01320 0.00366 -0.00749 14 4XZ 0.04096 -0.00397 0.01921 -0.01851 -0.02443 15 4YZ 0.01383 -0.00355 0.02529 -0.01299 0.01154 16 2 C 1S -0.00507 -0.00948 0.00601 0.02155 -0.00890 17 2S 0.04360 0.06117 -0.02018 -0.22271 0.11875 18 2PX 0.08459 0.08141 -0.23270 -0.03641 -0.08064 19 2PY -0.14489 -0.08455 0.04801 0.32091 -0.16915 20 2PZ -0.16465 0.11532 -0.34684 -0.01085 0.06733 21 3S 0.49878 -0.06367 0.11069 -0.01705 0.29182 22 3PX -0.04152 -0.03711 0.47333 0.55377 0.62799 23 3PY -0.12800 -0.25995 0.07515 -0.01248 0.21413 24 3PZ 0.18061 -0.13149 0.52269 -0.17465 -0.43677 25 4XX 0.01816 0.00260 0.02010 -0.02384 0.02164 26 4YY -0.01253 -0.01717 -0.00534 0.05959 -0.02618 27 4ZZ 0.01263 0.00005 -0.00287 -0.03510 0.02288 28 4XY 0.00372 -0.00900 0.01720 0.02096 -0.02728 29 4XZ -0.02083 -0.00773 -0.00567 0.01554 -0.02945 30 4YZ 0.00487 0.00899 0.00284 -0.00195 0.00374 31 3 C 1S -0.00180 -0.01157 0.00751 0.00704 -0.01659 32 2S 0.08528 -0.05781 0.10395 0.08651 0.15522 33 2PX -0.08346 0.07640 -0.09437 -0.08475 0.13962 34 2PY -0.13813 -0.05124 -0.05812 0.18921 0.24204 35 2PZ -0.00864 -0.02446 0.03864 -0.11079 -0.00023 36 3S -0.33367 0.62807 -0.39358 -0.74986 -0.69575 37 3PX 0.14574 -0.14536 0.02559 0.28690 -0.14914 38 3PY 0.35382 0.54763 0.24049 -0.20855 0.24687 39 3PZ 0.07238 0.40072 -0.26228 -0.35138 -0.53407 40 4XX -0.02829 -0.02579 -0.00067 0.02058 0.01668 41 4YY -0.01551 0.01056 0.00639 -0.02601 -0.01744 42 4ZZ 0.03509 -0.00541 0.01779 0.00724 -0.00803 43 4XY 0.02626 0.00567 -0.00914 -0.02004 0.00434 44 4XZ -0.01140 -0.00260 -0.01128 -0.01750 0.03044 45 4YZ 0.01617 -0.00007 -0.00743 0.00419 -0.01108 46 4 C 1S -0.00296 0.01127 0.00808 -0.00779 0.01706 47 2S 0.08759 0.05487 0.10762 -0.08272 -0.12733 48 2PX -0.07119 -0.08058 -0.09074 0.09814 -0.12917 49 2PY 0.14517 -0.04771 0.06050 0.19095 0.23682 50 2PZ -0.00236 0.01979 0.03431 0.11412 -0.01988 51 3S -0.28264 -0.61633 -0.44898 0.75957 0.81115 52 3PX 0.09841 0.18062 0.01330 -0.30936 0.10935 53 3PY -0.39971 0.53808 -0.19800 -0.19775 0.29883 54 3PZ 0.08963 -0.39444 -0.26695 0.36308 0.62397 55 4XX -0.03084 0.02506 0.00183 -0.02259 -0.01011 56 4YY -0.01239 -0.01134 0.00484 0.02767 0.01894 57 4ZZ 0.03591 0.00526 0.01752 -0.00777 0.00681 58 4XY -0.02506 0.00207 0.00973 -0.01759 0.00212 59 4XZ -0.01144 0.00267 -0.00917 0.01510 -0.04628 60 4YZ -0.01497 -0.00029 0.00845 0.00200 -0.01183 61 5 C 1S -0.00433 0.00915 0.00588 -0.01862 0.02045 62 2S 0.03823 -0.05646 -0.01912 0.21128 -0.15246 63 2PX 0.09923 -0.08076 -0.23861 0.06398 0.12243 64 2PY 0.14131 -0.07722 -0.03326 0.29601 -0.30522 65 2PZ -0.15445 -0.11224 -0.34094 0.01954 -0.03686 66 3S 0.50365 0.06073 0.11010 -0.00508 -0.49380 67 3PX -0.05058 0.01106 0.47709 -0.58308 -0.78454 68 3PY 0.16321 -0.26220 -0.12740 0.06248 0.43741 69 3PZ 0.17729 0.12665 0.51203 0.16745 0.42812 70 4XX 0.01659 -0.00333 0.01750 0.02528 -0.03120 71 4YY -0.01121 0.01758 -0.00369 -0.05718 0.04999 72 4ZZ 0.01220 0.00066 -0.00205 0.03276 -0.03290 73 4XY -0.00635 -0.00676 -0.01837 0.01400 -0.02435 74 4XZ -0.02111 0.00802 -0.00645 -0.01597 0.03155 75 4YZ -0.00329 0.00799 -0.00206 -0.00053 0.00267 76 6 C 1S -0.01289 0.00146 -0.00322 -0.01033 -0.02322 77 2S -0.05606 -0.02916 -0.02613 0.01498 -0.16312 78 2PX 0.18450 -0.18434 0.23024 -0.21572 -0.02202 79 2PY 0.02972 -0.03918 -0.02220 -0.01598 -0.30595 80 2PZ 0.07186 -0.19921 0.25783 -0.33165 0.32187 81 3S 0.01608 -0.26980 0.03937 0.36583 0.29360 82 3PX -0.23832 0.13998 -0.33318 0.20993 -0.14190 83 3PY -0.06967 0.22352 0.08213 -0.70558 -0.01463 84 3PZ -0.04364 0.36350 -0.34653 0.73668 -0.33974 85 4XX -0.01378 -0.00395 0.00563 -0.01314 0.00588 86 4YY -0.00535 -0.01457 0.00177 0.00320 -0.08259 87 4ZZ -0.01311 0.00663 -0.02089 0.00529 0.00126 88 4XY -0.00507 -0.00706 -0.01331 0.00627 -0.00816 89 4XZ 0.04054 0.00368 0.01699 0.01720 0.02530 90 4YZ -0.01616 -0.00377 -0.02676 -0.01416 0.00658 91 7 H 1S -0.16525 0.01428 -0.05979 0.05008 0.14186 92 2S 0.02302 0.09618 0.01295 -0.09997 0.08071 93 8 H 1S 0.16145 0.04006 0.02080 -0.04194 -0.18151 94 2S 0.14041 0.27914 -0.00727 -0.25619 0.05507 95 9 H 1S 0.16028 -0.03668 0.01484 0.04230 0.20613 96 2S 0.15983 -0.27773 -0.01013 0.26364 -0.04479 97 10 H 1S -0.16766 -0.01523 -0.05596 -0.05541 -0.17465 98 2S 0.02957 -0.09499 0.00593 0.11046 -0.02621 99 11 O 1S 0.01471 0.00838 -0.00510 -0.01950 0.00619 100 2S 0.01814 -0.00290 -0.01115 -0.01481 -0.04694 101 2PX 0.10758 0.04685 -0.03639 -0.06111 -0.16906 102 2PY -0.04932 -0.02889 0.00931 0.14354 -0.06292 103 2PZ -0.03062 0.05019 -0.08852 -0.00706 0.05516 104 3S -0.32660 -0.18722 0.12433 0.22434 0.09594 105 3PX -0.07209 -0.05217 -0.01247 -0.01267 -0.05138 106 3PY -0.16506 -0.07871 0.05628 0.14930 -0.03938 107 3PZ -0.02870 -0.02088 -0.03770 0.03363 0.06898 108 4XX 0.00956 0.00551 0.00080 0.01811 -0.02604 109 4YY 0.03057 0.01743 -0.00374 -0.08623 0.02309 110 4ZZ 0.01210 -0.00390 -0.01930 -0.01832 -0.01405 111 4XY 0.00041 0.00604 -0.02138 -0.01612 0.01476 112 4XZ 0.00079 0.00278 0.00126 0.00322 -0.00071 113 4YZ -0.00700 0.00527 -0.01960 -0.00312 0.00080 114 12 O 1S 0.01522 -0.00821 -0.00540 0.01828 -0.01300 115 2S 0.01901 0.00233 -0.01035 0.01708 0.05780 116 2PX 0.11395 -0.04720 -0.03962 0.06910 0.16303 117 2PY 0.03954 -0.02402 -0.00605 0.12747 -0.12970 118 2PZ -0.02880 -0.04861 -0.08611 0.00528 -0.05502 119 3S -0.34974 0.18711 0.13590 -0.23067 -0.09713 120 3PX -0.06030 0.04640 -0.01757 0.02973 0.08206 121 3PY 0.17780 -0.08121 -0.05976 0.14243 -0.09020 122 3PZ -0.03111 0.02127 -0.03663 -0.03150 -0.06656 123 4XX 0.01039 -0.00536 0.00283 -0.01825 0.03345 124 4YY 0.02993 -0.01748 -0.00564 0.08205 -0.05178 125 4ZZ 0.01292 0.00387 -0.01892 0.01896 0.01664 126 4XY 0.00101 0.00455 0.02084 -0.00852 0.00834 127 4XZ 0.00143 -0.00235 0.00206 -0.00301 0.00120 128 4YZ 0.00630 0.00533 0.01914 -0.00345 -0.00053 129 13 C 1S -0.00535 -0.00049 0.02806 0.00167 0.00517 130 2S 0.30912 0.00551 -0.18893 -0.00896 -0.02694 131 2PX -0.30950 -0.02086 0.08927 0.02236 0.03859 132 2PY 0.01194 -0.38697 -0.01010 0.25959 0.19691 133 2PZ 0.28970 0.00586 -0.30022 0.00092 0.00936 134 3S -0.96655 -0.02259 0.77123 0.02592 0.12993 135 3PX 1.12343 0.03467 -0.25547 -0.05007 -0.11737 136 3PY -0.04071 0.45315 0.01263 -0.74335 -0.42732 137 3PZ -1.04476 -0.01945 0.75844 -0.01387 -0.00827 138 4XX 0.04205 0.00085 -0.01280 0.00348 0.00687 139 4YY -0.00603 -0.00056 0.01903 -0.00087 0.00488 140 4ZZ -0.00316 -0.00034 0.01112 -0.00178 -0.00818 141 4XY -0.00204 0.00048 0.00265 0.03379 0.00362 142 4XZ -0.01180 0.00089 -0.02965 -0.00299 -0.00353 143 4YZ 0.00082 0.00678 0.00114 -0.03364 -0.00205 144 14 H 1S -0.07738 -0.00022 0.07528 0.00487 0.04124 145 2S -0.29057 -0.00514 0.04746 0.00796 0.02422 146 15 H 1S -0.08961 -0.00288 0.09621 0.00190 0.00451 147 2S -0.34421 -0.00492 0.19114 -0.00330 0.02424 148 16 C 1S 0.02445 0.03193 -0.00487 -0.00530 -0.01595 149 2S -0.18451 -0.20178 0.15161 0.08731 -0.03061 150 2PX -0.04065 -0.00284 0.33713 0.35439 0.24064 151 2PY -0.22186 -0.08922 0.18466 0.12237 -0.00017 152 2PZ -0.25732 -0.30522 0.04223 0.11160 0.03957 153 3S 0.92135 0.14013 -0.41870 -0.66683 0.16212 154 3PX 0.04315 -0.00396 -0.58340 -0.65460 -0.68208 155 3PY 0.80626 -0.06535 -0.49303 -0.71266 0.10436 156 3PZ 0.44857 0.14635 -0.16377 -0.20617 0.02305 157 4XX -0.01831 -0.00138 0.01042 0.00411 0.00146 158 4YY 0.06622 0.00932 -0.00270 -0.00658 -0.01590 159 4ZZ -0.02200 -0.01314 0.00519 -0.00908 0.00390 160 4XY -0.00431 -0.00524 -0.00383 0.01747 -0.01373 161 4XZ -0.04515 -0.03796 0.00377 0.02014 0.01086 162 4YZ -0.01577 -0.00161 0.03353 0.01167 0.00135 163 17 H 1S 0.20181 0.10914 0.06457 -0.13467 -0.06206 164 2S 0.13270 -0.12737 -0.15031 -0.26587 0.11090 165 18 C 1S -0.02275 -0.05850 0.00239 -0.01247 -0.00205 166 2S -0.10562 0.13070 -0.01056 -0.00931 0.02233 167 2PX -0.12068 -0.35815 0.07446 -0.12523 -0.20719 168 2PY -0.10708 0.20095 -0.11711 0.17086 0.06000 169 2PZ -0.15460 -0.26951 0.03617 0.08975 -0.05784 170 3S -0.23967 0.33693 -0.03982 0.62145 -0.24596 171 3PX 0.12072 0.74139 0.04569 0.46139 0.42584 172 3PY 0.06685 0.23503 0.32497 0.27504 -0.06334 173 3PZ 0.34509 0.01516 -0.07966 -0.36960 0.30958 174 4XX -0.00568 0.02339 0.02121 0.01115 0.00687 175 4YY -0.01495 -0.04161 -0.02623 -0.02518 -0.00626 176 4ZZ -0.03644 -0.01876 0.02078 0.01211 -0.00468 177 4XY -0.00698 0.00288 0.02837 0.00451 -0.00088 178 4XZ 0.06841 0.05043 -0.02037 -0.01781 -0.00132 179 4YZ -0.02997 -0.00002 -0.00161 -0.00053 0.00059 180 19 H 1S -0.10014 -0.17241 0.03429 -0.02956 -0.04051 181 2S -0.02876 0.38213 0.07535 0.22749 -0.02839 182 20 C 1S 0.02537 -0.03135 -0.00647 0.00330 0.01416 183 2S -0.18297 0.19516 0.15342 -0.07585 0.08976 184 2PX -0.03344 -0.00905 0.32524 -0.32704 -0.13586 185 2PY 0.21909 -0.07511 -0.19730 0.12875 -0.03899 186 2PZ -0.26573 0.30125 0.04724 -0.14086 -0.13729 187 3S 0.90861 -0.10751 -0.40670 0.67222 -0.20759 188 3PX -0.00277 0.01305 -0.54523 0.56202 0.50281 189 3PY -0.79619 -0.10160 0.48667 -0.75443 0.11264 190 3PZ 0.45125 -0.13329 -0.15512 0.27023 0.21453 191 4XX -0.01735 -0.00010 0.01162 -0.00449 -0.01136 192 4YY 0.06623 -0.00702 -0.00515 0.00504 0.01988 193 4ZZ -0.02146 0.01253 0.00599 0.01115 0.01182 194 4XY 0.01200 -0.00606 0.00259 0.01971 -0.00481 195 4XZ -0.04423 0.03709 0.00260 -0.02005 -0.01495 196 4YZ 0.01917 -0.00304 -0.03475 0.01278 0.00069 197 21 H 1S 0.20381 -0.10804 0.05955 0.13263 0.07146 198 2S 0.13231 0.13567 -0.13060 0.28633 -0.07013 199 22 C 1S -0.02335 0.05860 0.00424 0.01198 -0.00101 200 2S -0.10460 -0.12864 -0.01520 0.01320 0.03213 201 2PX -0.11890 0.37334 0.08745 0.13003 0.21500 202 2PY 0.11801 0.16892 0.11849 0.15931 0.05205 203 2PZ -0.15957 0.26820 0.03657 -0.09460 0.00386 204 3S -0.22706 -0.34953 -0.09009 -0.65338 0.09402 205 3PX 0.12238 -0.72528 0.00646 -0.44252 -0.45649 206 3PY -0.08571 0.29938 -0.29590 0.31238 -0.03346 207 3PZ 0.33329 -0.00403 -0.05934 0.40134 -0.15767 208 4XX -0.00546 -0.02286 0.01729 -0.01100 -0.00647 209 4YY -0.01579 0.04181 -0.02133 0.02547 0.01319 210 4ZZ -0.03593 0.01776 0.01943 -0.01393 -0.00074 211 4XY 0.00571 0.00941 -0.03173 0.00917 0.00571 212 4XZ 0.07100 -0.04874 -0.02085 0.01829 0.00396 213 4YZ 0.02514 0.00466 0.00274 0.00032 0.00759 214 23 H 1S -0.10023 0.17393 0.03900 0.02108 -0.00036 215 2S -0.02029 -0.38573 0.05933 -0.24090 -0.01794 91 92 93 94 95 V V V V V Eigenvalues -- 0.66598 0.67706 0.68691 0.72502 0.73644 1 1 C 1S -0.01406 -0.02276 -0.01611 -0.02843 0.00537 2 2S -0.08953 0.08239 -0.07600 0.05862 0.00518 3 2PX -0.12615 0.26260 -0.05147 -0.29877 0.18425 4 2PY 0.01138 -0.00353 -0.03429 0.23127 0.09167 5 2PZ 0.02357 0.15919 -0.02130 -0.11132 0.13186 6 3S 0.13820 0.42615 0.30393 0.26342 0.38938 7 3PX 0.27751 -0.67098 0.09598 0.62122 -0.18189 8 3PY 0.15313 0.98393 0.06456 0.21414 -0.32977 9 3PZ -0.04554 -0.20305 -0.08973 0.27311 -0.25177 10 4XX -0.00988 -0.01510 -0.00364 -0.00509 0.02257 11 4YY -0.03271 0.01511 -0.01741 -0.04278 0.00876 12 4ZZ 0.01208 -0.00533 0.00040 0.02653 -0.02727 13 4XY -0.01794 -0.01282 -0.03543 -0.00151 -0.00946 14 4XZ 0.00576 0.03792 0.02065 0.01480 -0.01413 15 4YZ 0.01203 0.00928 0.01420 0.00260 0.02323 16 2 C 1S 0.03736 -0.01478 0.03375 0.00082 0.00073 17 2S -0.11559 0.15112 -0.11600 0.07260 0.12718 18 2PX 0.22479 -0.15339 0.07429 0.05579 -0.11190 19 2PY 0.44614 -0.47257 0.44816 0.00579 0.18864 20 2PZ 0.08844 -0.19035 -0.18381 -0.03501 0.05057 21 3S -0.68408 1.19705 -0.33481 0.22785 -0.78083 22 3PX -0.70704 0.11286 -0.03113 -0.38942 0.41058 23 3PY -0.60182 0.24750 -0.75690 -0.36214 0.08363 24 3PZ 0.00335 0.43271 0.33904 -0.01320 -0.04325 25 4XX -0.02315 0.06303 -0.02691 -0.01296 -0.00005 26 4YY 0.07218 -0.05122 0.06400 0.06387 -0.02195 27 4ZZ -0.03575 0.02416 -0.02256 -0.01164 0.01778 28 4XY 0.01375 0.01187 0.00752 0.01858 -0.00175 29 4XZ 0.01049 -0.03803 -0.00414 -0.01335 -0.00798 30 4YZ -0.00155 -0.00529 0.00767 -0.03249 0.00693 31 3 C 1S 0.00340 -0.00339 -0.00492 -0.00561 -0.00805 32 2S 0.03404 0.14357 -0.02529 0.15681 -0.00759 33 2PX -0.03586 -0.34802 0.17023 -0.27691 0.11329 34 2PY 0.00190 -0.13175 -0.09218 0.11293 0.11367 35 2PZ -0.06974 0.09142 0.07818 -0.09302 0.14334 36 3S 0.55032 0.07354 0.23904 -0.19231 0.22823 37 3PX -0.12087 0.67990 -0.41350 0.59853 -0.05099 38 3PY -0.21258 0.72216 0.22690 -0.26429 -0.37685 39 3PZ 0.41847 -0.30579 -0.04721 0.25806 -0.18631 40 4XX 0.01575 -0.01629 0.01767 0.03429 -0.00332 41 4YY 0.00536 0.03598 -0.02962 -0.01174 0.01088 42 4ZZ -0.00129 0.00130 0.01217 -0.01538 -0.00547 43 4XY 0.01297 0.01190 0.02227 -0.00502 0.02288 44 4XZ -0.04918 0.00382 -0.00889 -0.03843 0.03126 45 4YZ 0.00769 -0.00692 -0.03704 0.00337 -0.02182 46 4 C 1S -0.00155 0.00358 -0.00415 0.00480 -0.00818 47 2S 0.09042 -0.14359 -0.03962 -0.15607 -0.01360 48 2PX -0.00504 0.32411 0.19444 0.27708 0.12124 49 2PY -0.08462 -0.15679 0.07456 0.10315 -0.07593 50 2PZ -0.07914 -0.09820 0.08110 0.09472 0.16375 51 3S 0.27958 -0.09189 0.24446 0.18274 0.34990 52 3PX -0.13883 -0.60005 -0.43169 -0.59674 -0.06187 53 3PY 0.11959 0.76554 -0.15494 -0.24387 0.19604 54 3PZ 0.23090 0.30858 -0.04876 -0.25152 -0.20704 55 4XX 0.01952 0.01518 0.01558 -0.03535 -0.00994 56 4YY 0.00071 -0.03567 -0.02971 0.01174 0.01920 57 4ZZ -0.00222 -0.00152 0.01205 0.01457 -0.00648 58 4XY -0.01441 0.00934 -0.02492 -0.00148 -0.02214 59 4XZ -0.03845 -0.00539 -0.00775 0.03708 0.03095 60 4YZ -0.00119 -0.00903 0.03695 -0.00021 0.01898 61 5 C 1S 0.03325 0.01328 0.03513 -0.00058 0.00288 62 2S -0.07966 -0.15069 -0.12854 -0.07841 0.12105 63 2PX 0.16409 0.12381 0.05136 -0.05120 -0.11968 64 2PY -0.38945 -0.45883 -0.48885 0.01500 -0.19418 65 2PZ 0.09999 0.21063 -0.17017 0.04007 0.06628 66 3S -0.54212 -1.16518 -0.39986 -0.19135 -0.74510 67 3PX -0.41726 -0.10037 0.02129 0.35698 0.41341 68 3PY 0.54130 0.21784 0.77882 -0.39179 -0.03681 69 3PZ -0.13243 -0.47484 0.29624 0.00184 -0.08808 70 4XX -0.01623 -0.05934 -0.03083 0.01514 0.00183 71 4YY 0.06298 0.04699 0.06900 -0.06511 -0.01995 72 4ZZ -0.02798 -0.02431 -0.02540 0.01090 0.01639 73 4XY 0.00082 0.02021 -0.00029 0.01220 0.00000 74 4XZ 0.00116 0.03830 -0.00178 0.01010 -0.01050 75 4YZ 0.00007 -0.00743 -0.00778 -0.03231 -0.00659 76 6 C 1S -0.00722 0.02363 -0.01485 0.02843 0.00586 77 2S -0.03872 -0.07820 -0.08345 -0.05484 0.00975 78 2PX -0.10602 -0.26493 -0.06846 0.31035 0.17159 79 2PY 0.09847 0.01269 0.03560 0.21431 -0.09258 80 2PZ -0.05772 -0.16120 -0.03001 0.10529 0.11973 81 3S 0.04224 -0.44072 0.28614 -0.27741 0.45109 82 3PX 0.29886 0.73729 0.15018 -0.60508 -0.12198 83 3PY -0.16234 0.93734 -0.00460 0.24572 0.29223 84 3PZ 0.01482 0.20752 -0.08284 -0.26189 -0.23690 85 4XX -0.00989 0.01297 0.00074 0.00365 0.02303 86 4YY -0.00929 -0.01286 -0.02280 0.04320 0.01019 87 4ZZ 0.01206 0.00655 0.00125 -0.02525 -0.02618 88 4XY 0.01956 -0.01717 0.03306 0.00087 0.00835 89 4XZ -0.00330 -0.03911 0.01701 -0.01484 -0.01756 90 4YZ -0.01404 0.01298 -0.01461 0.00403 -0.02231 91 7 H 1S -0.13678 -0.09451 -0.24764 -0.16289 0.05122 92 2S 0.16096 0.24037 0.15121 0.23667 -0.11686 93 8 H 1S 0.10049 0.07982 -0.10656 -0.04295 -0.11325 94 2S 0.04938 0.03484 0.12238 -0.04359 -0.04289 95 9 H 1S 0.03714 -0.07214 -0.10648 0.04178 -0.11118 96 2S 0.05976 -0.04230 0.10540 0.04927 -0.02323 97 10 H 1S -0.08513 0.11188 -0.24196 0.16375 0.05606 98 2S 0.17790 -0.24609 0.13795 -0.23725 -0.10516 99 11 O 1S -0.02256 0.02602 -0.01712 0.01265 -0.01238 100 2S 0.04681 -0.06169 0.10896 -0.13866 0.07286 101 2PX 0.04935 -0.00853 0.07714 0.03503 -0.02323 102 2PY 0.18832 -0.14393 0.17518 0.08969 -0.04529 103 2PZ 0.00108 -0.08032 -0.05817 -0.05497 0.05469 104 3S -0.03756 -0.22858 -0.28675 -0.16131 0.22865 105 3PX 0.11360 -0.01501 -0.04515 0.03346 -0.03774 106 3PY 0.15015 -0.29574 0.09844 -0.27963 0.27525 107 3PZ -0.00061 -0.03994 -0.01294 0.00928 -0.02653 108 4XX 0.02498 -0.01381 0.03387 -0.03054 0.01594 109 4YY -0.09123 0.07189 -0.06174 -0.07371 0.02393 110 4ZZ 0.01345 -0.03917 0.04631 -0.02681 0.01953 111 4XY -0.00143 -0.00383 -0.01231 -0.00414 -0.00730 112 4XZ 0.00066 0.01195 -0.00800 -0.00642 -0.01479 113 4YZ 0.00331 -0.00553 -0.01410 0.00604 0.00045 114 12 O 1S -0.01976 -0.02515 -0.01893 -0.01253 -0.01271 115 2S 0.02759 0.05529 0.11299 0.13888 0.08216 116 2PX -0.01948 -0.00516 0.06648 -0.02864 -0.01563 117 2PY -0.16385 -0.13728 -0.19120 0.08978 0.03889 118 2PZ 0.01587 0.08562 -0.05230 0.05311 0.05247 119 3S -0.00613 0.23984 -0.27545 0.15478 0.17902 120 3PX 0.08221 0.00015 -0.05214 -0.04930 -0.05659 121 3PY -0.13412 -0.28818 -0.11423 -0.26976 -0.26516 122 3PZ 0.02214 0.04309 -0.00911 -0.00688 -0.02065 123 4XX 0.01563 0.01120 0.03608 0.03020 0.01848 124 4YY -0.08191 -0.06911 -0.06872 0.07385 0.02222 125 4ZZ 0.00666 0.03658 0.04900 0.02676 0.02309 126 4XY -0.00994 -0.01063 0.00493 -0.00103 0.00816 127 4XZ 0.00079 -0.01134 -0.00778 0.00729 -0.01275 128 4YZ -0.00315 -0.00620 0.01408 0.00503 -0.00083 129 13 C 1S 0.03099 0.00150 -0.02638 0.00042 -0.02032 130 2S -0.14092 -0.00711 0.09335 -0.00271 0.09478 131 2PX 0.16703 0.00996 -0.14797 -0.00868 0.04846 132 2PY -0.05141 0.04298 0.00554 -0.26964 -0.01474 133 2PZ 0.07617 0.00301 -0.07957 -0.00259 0.09617 134 3S 0.66356 0.02595 -0.41087 0.01378 -0.33932 135 3PX -0.51433 -0.03139 0.49800 0.02518 -0.35662 136 3PY 0.12153 -0.25758 -0.02215 0.70925 0.06404 137 3PZ -0.15788 -0.01039 0.24118 0.00384 -0.27686 138 4XX 0.04452 0.00486 -0.06154 0.00099 -0.05195 139 4YY 0.02791 -0.00118 -0.02268 -0.00040 0.01845 140 4ZZ -0.04938 -0.00251 0.05851 -0.00006 0.00976 141 4XY -0.00310 0.02974 0.00273 0.00882 0.00004 142 4XZ -0.01967 0.00009 -0.01817 0.00002 0.02135 143 4YZ 0.00293 -0.00461 0.00013 0.01805 -0.00096 144 14 H 1S 0.24929 0.01307 -0.31277 0.00025 -0.17286 145 2S 0.12386 -0.00021 -0.02829 -0.00083 0.36313 146 15 H 1S 0.01983 -0.00189 0.06064 -0.00114 0.15218 147 2S 0.09618 0.00236 -0.07856 -0.00183 -0.09329 148 16 C 1S -0.00342 0.00551 0.00244 0.00101 0.00368 149 2S 0.17392 0.12245 -0.10441 0.09971 -0.22179 150 2PX 0.27602 0.12614 -0.21714 -0.00935 -0.26335 151 2PY 0.12009 0.09705 -0.08139 -0.05008 -0.07872 152 2PZ -0.31534 0.10275 0.20854 0.31191 -0.38797 153 3S -0.10088 -0.39873 0.07996 -0.19844 0.92781 154 3PX -0.39369 -0.24247 0.19257 0.19509 0.45078 155 3PY -0.02919 -0.39540 0.01021 0.00235 0.28602 156 3PZ 0.78626 -0.04578 -0.72694 -0.63882 0.98700 157 4XX -0.03261 -0.00697 0.02178 -0.01093 0.00896 158 4YY 0.01740 0.01858 0.00226 0.00575 -0.04756 159 4ZZ 0.04311 0.00044 -0.03972 0.00821 0.03279 160 4XY -0.01764 0.00567 0.02029 0.02714 0.01598 161 4XZ -0.01749 -0.00548 0.01103 -0.00580 -0.00305 162 4YZ 0.00294 0.00443 0.01037 -0.02487 0.01586 163 17 H 1S 0.05131 0.03117 0.01658 -0.08377 -0.07989 164 2S 0.13559 -0.15091 -0.16979 -0.01661 0.15317 165 18 C 1S -0.00814 0.00998 0.00005 0.01008 -0.00652 166 2S 0.16294 0.00279 -0.08928 -0.11269 0.23592 167 2PX 0.02979 0.04076 -0.14034 -0.38980 0.37108 168 2PY -0.02822 0.03735 -0.00525 0.05293 -0.14205 169 2PZ -0.16235 0.05258 0.09476 -0.03104 -0.13567 170 3S -0.47486 0.10696 0.46519 0.43130 -0.96358 171 3PX -0.15793 0.05861 0.21977 0.64300 -0.70000 172 3PY -0.01621 0.07164 -0.03663 -0.35897 0.31861 173 3PZ 0.46369 -0.06120 -0.34552 0.12004 0.47181 174 4XX -0.00479 0.00053 -0.00241 -0.01490 0.03445 175 4YY 0.02730 -0.00081 -0.01708 -0.00843 0.02058 176 4ZZ -0.01709 0.01817 0.01553 0.01836 -0.03897 177 4XY -0.01791 0.00366 0.01327 -0.00623 0.03371 178 4XZ 0.01105 -0.01113 -0.01548 -0.01232 -0.01111 179 4YZ -0.02606 -0.00277 0.00950 0.01892 -0.01418 180 19 H 1S -0.11126 0.03323 0.08263 -0.04658 -0.03152 181 2S -0.16502 0.00095 0.04968 -0.16096 -0.07651 182 20 C 1S -0.00825 -0.00614 0.00185 -0.00178 0.00432 183 2S 0.17095 -0.11428 -0.11321 -0.09359 -0.21367 184 2PX 0.35367 -0.09889 -0.22095 0.00651 -0.25048 185 2PY -0.14715 0.09346 0.10068 -0.05714 0.06596 186 2PZ -0.27615 -0.12293 0.19638 -0.30938 -0.38463 187 3S -0.11966 0.38860 0.10595 0.16944 0.88600 188 3PX -0.62350 0.18728 0.20705 -0.19496 0.36863 189 3PY 0.08932 -0.39986 -0.04565 0.03106 -0.21439 190 3PZ 0.72918 0.10964 -0.69683 0.64003 0.97251 191 4XX -0.02628 0.00529 0.01788 0.01198 0.00240 192 4YY 0.00904 -0.01878 0.00424 -0.00845 -0.04030 193 4ZZ 0.04153 0.00147 -0.04018 -0.00856 0.03051 194 4XY 0.02301 0.00594 -0.02144 0.02543 -0.01592 195 4XZ -0.01260 0.00396 0.00997 0.00287 -0.00625 196 4YZ -0.00400 0.00441 -0.01091 -0.02561 -0.01638 197 21 H 1S 0.02016 -0.02954 0.01804 0.08312 -0.06168 198 2S 0.14843 0.16209 -0.16621 0.01493 0.09672 199 22 C 1S -0.00905 -0.01018 -0.00023 -0.01025 -0.00681 200 2S 0.16056 0.00201 -0.09120 0.11079 0.24580 201 2PX -0.04338 -0.03298 -0.13788 0.38886 0.37134 202 2PY -0.00156 0.03982 0.01967 0.02544 0.10063 203 2PZ -0.16404 -0.05975 0.09032 0.03993 -0.12941 204 3S -0.47624 -0.14359 0.44990 -0.42932 -0.97404 205 3PX 0.01668 -0.06385 0.20758 -0.66242 -0.69110 206 3PY 0.01889 0.07160 0.01834 -0.31542 -0.24368 207 3PZ 0.49876 0.08824 -0.32830 -0.13678 0.46467 208 4XX 0.00054 -0.00054 -0.00453 0.01409 0.02955 209 4YY 0.01971 0.00137 -0.01484 0.00851 0.02251 210 4ZZ -0.01609 -0.01917 0.01384 -0.01767 -0.03477 211 4XY 0.01852 0.00482 -0.01399 -0.00644 -0.03494 212 4XZ 0.01071 0.01249 -0.01540 0.01364 -0.01021 213 4YZ 0.02425 -0.00190 -0.00846 0.01640 0.01670 214 23 H 1S -0.11824 -0.03908 0.08146 0.04172 -0.03608 215 2S -0.14948 -0.00631 0.04669 0.17243 -0.08327 96 97 98 99 100 V V V V V Eigenvalues -- 0.74406 0.75005 0.77169 0.80086 0.81325 1 1 C 1S -0.00147 -0.00064 -0.00375 0.02269 -0.00152 2 2S -0.19090 0.06512 -0.18111 -0.04136 -0.35878 3 2PX -0.06026 -0.13836 0.04942 0.09979 0.09243 4 2PY 0.15571 -0.04302 0.26842 -0.34375 0.22712 5 2PZ -0.03431 -0.12598 -0.10134 -0.16224 -0.08464 6 3S -0.42784 0.96157 -1.44199 0.45129 1.10699 7 3PX -0.34333 0.58739 -0.64402 -0.18741 -0.19841 8 3PY -0.44998 0.64492 -1.62527 1.06619 -0.90452 9 3PZ 0.34762 0.08576 0.79743 0.66914 0.23330 10 4XX -0.05832 -0.01020 -0.02079 -0.02546 -0.02987 11 4YY -0.00069 0.02704 -0.06986 0.06171 -0.00726 12 4ZZ 0.00372 0.01814 -0.00422 -0.01501 -0.01930 13 4XY -0.00501 -0.00014 -0.00613 0.01603 -0.00485 14 4XZ 0.05440 -0.01525 0.04351 -0.01029 0.02848 15 4YZ -0.01772 -0.00246 -0.00154 -0.00693 0.01526 16 2 C 1S -0.03742 0.01923 -0.02804 0.01589 -0.02168 17 2S 0.08020 0.04517 -0.37272 -0.21210 -0.16750 18 2PX 0.22411 0.07237 0.14192 0.15971 -0.00249 19 2PY -0.20679 0.16461 -0.15881 -0.02968 0.13840 20 2PZ -0.17062 0.04440 0.20457 0.20174 0.11006 21 3S -0.59828 0.14781 0.85193 2.09901 -0.62715 22 3PX -0.65486 -0.06814 0.16502 -0.36841 0.41685 23 3PY 1.46199 -1.03639 1.76416 -0.05357 0.77041 24 3PZ 0.68200 -0.26803 -0.49067 -0.61165 -0.53702 25 4XX 0.01944 0.02266 -0.00477 0.00546 0.02725 26 4YY -0.10074 0.02861 -0.12633 0.07594 -0.14824 27 4ZZ 0.00866 -0.01180 0.01262 -0.03222 0.02574 28 4XY -0.01558 -0.00244 -0.01348 0.02013 -0.01219 29 4XZ 0.03135 -0.02235 0.02520 -0.02596 0.01389 30 4YZ -0.01494 0.00049 -0.01696 -0.00815 -0.01542 31 3 C 1S 0.01757 0.01011 0.01334 0.00542 0.00123 32 2S -0.03519 -0.09727 -0.04355 0.00429 0.00525 33 2PX 0.18406 0.09936 0.02594 -0.34710 -0.08363 34 2PY 0.32781 -0.51883 -0.11272 0.04818 0.09349 35 2PZ 0.29278 0.17858 0.11661 0.10603 -0.15893 36 3S 0.23632 2.11340 -1.27229 0.02074 -0.57609 37 3PX -0.15212 -0.24534 0.44203 1.62769 0.33881 38 3PY -1.25756 2.34023 -0.26320 0.22717 -0.19251 39 3PZ -0.53751 -0.02632 -0.88287 -0.36230 -0.01411 40 4XX 0.01131 -0.02464 -0.01042 -0.00958 -0.01219 41 4YY 0.00639 0.09149 0.00773 -0.00869 0.01996 42 4ZZ -0.00210 -0.02002 -0.01738 0.00807 -0.01437 43 4XY -0.01645 0.00274 -0.00343 -0.01653 0.02594 44 4XZ -0.02860 -0.02375 0.03900 -0.01513 0.03564 45 4YZ 0.00727 0.00170 -0.00811 0.01016 -0.03422 46 4 C 1S 0.01905 -0.00254 -0.01378 -0.00567 -0.00094 47 2S -0.06521 0.06555 0.06108 -0.00041 0.00437 48 2PX 0.20192 -0.04514 -0.04096 0.34216 -0.02953 49 2PY -0.10563 -0.62629 -0.10087 0.03018 0.00653 50 2PZ 0.33540 -0.03321 -0.12328 -0.09407 -0.22366 51 3S 1.10722 -1.77632 1.20278 -0.02358 -0.31321 52 3PX -0.22160 0.29849 -0.43731 -1.57041 0.00955 53 3PY 0.21491 2.68572 -0.27548 0.30722 -0.11683 54 3PZ -0.44959 -0.22286 0.89983 0.34557 0.22828 55 4XX 0.00204 0.02676 0.00880 0.00702 -0.00937 56 4YY 0.03992 -0.07989 -0.00654 0.01044 0.03487 57 4ZZ -0.00858 0.01609 0.01811 -0.00688 -0.02245 58 4XY 0.01645 -0.00008 -0.00381 -0.01500 -0.02474 59 4XZ -0.03969 0.01148 -0.03945 0.01402 0.04570 60 4YZ -0.00658 0.00052 -0.00399 0.00997 0.03332 61 5 C 1S -0.02512 -0.03286 0.02928 -0.01558 -0.01809 62 2S 0.10753 0.00261 0.36808 0.21336 -0.15637 63 2PX 0.23291 0.03450 -0.16294 -0.16454 -0.03736 64 2PY 0.10155 0.20557 -0.15646 -0.01902 -0.15921 65 2PZ -0.14534 -0.10774 -0.19270 -0.19822 0.08196 66 3S -0.51855 -0.49799 -0.82389 -2.07218 -0.68964 67 3PX -0.68215 -0.28462 -0.00792 0.39342 0.39160 68 3PY -0.78509 -1.53537 1.81536 -0.07449 -0.54724 69 3PZ 0.52369 0.52988 0.44261 0.58900 -0.41023 70 4XX 0.02851 -0.01170 0.00422 -0.00233 0.01835 71 4YY -0.07475 -0.07168 0.13022 -0.07556 -0.14172 72 4ZZ 0.00154 0.01579 -0.01329 0.03052 0.03212 73 4XY 0.00668 0.00107 -0.00516 0.01315 0.00644 74 4XZ 0.01938 0.03378 -0.02740 0.02490 0.01118 75 4YZ 0.01182 0.00302 -0.01513 -0.00906 0.00749 76 6 C 1S -0.00143 0.00019 0.00380 -0.02276 0.00265 77 2S -0.14348 -0.13742 0.18370 0.03716 -0.35030 78 2PX -0.12830 0.10857 -0.02638 -0.12251 0.12304 79 2PY -0.10647 -0.11670 0.27439 -0.33776 -0.20461 80 2PZ -0.08477 0.10984 0.10215 0.16488 -0.07688 81 3S 0.06823 -0.99676 1.46864 -0.43084 1.26019 82 3PX -0.02311 -0.63308 0.54858 0.26063 -0.25157 83 3PY 0.08608 0.83634 -1.66695 1.05823 0.75542 84 3PZ 0.32778 0.04118 -0.80509 -0.67894 0.16536 85 4XX -0.05617 -0.01291 0.02174 0.02602 -0.02156 86 4YY 0.01221 -0.02360 0.06988 -0.06356 -0.00201 87 4ZZ 0.01152 -0.01729 0.00416 0.01537 -0.02395 88 4XY 0.00924 0.00277 -0.00329 0.00982 0.00470 89 4XZ 0.04211 0.03530 -0.04547 0.01021 0.01978 90 4YZ 0.01485 0.00016 0.00000 -0.00734 -0.01441 91 7 H 1S -0.14467 -0.01282 -0.03836 0.14667 -0.07727 92 2S -0.24247 0.22532 -0.69414 -0.07611 -0.51760 93 8 H 1S 0.16089 0.07512 -0.10388 0.09576 -0.17799 94 2S -0.61588 0.32170 -0.30144 -0.48565 0.15460 95 9 H 1S 0.18406 -0.00741 0.09633 -0.09618 -0.23604 96 2S -0.42546 -0.56143 0.33148 0.48053 0.40692 97 10 H 1S -0.13327 -0.04878 0.04654 -0.14463 -0.03943 98 2S -0.10233 -0.31107 0.69552 0.07569 -0.54611 99 11 O 1S -0.01083 -0.00083 -0.01784 0.00679 -0.02090 100 2S 0.02634 0.07558 0.17180 0.01930 0.19927 101 2PX 0.00165 0.06407 0.04739 0.03109 -0.01773 102 2PY -0.24298 0.08511 -0.23569 0.13581 -0.32676 103 2PZ -0.13050 -0.09908 -0.01383 0.13995 0.05206 104 3S 0.85930 -0.58651 0.60759 -0.53235 0.45578 105 3PX 0.15241 -0.00436 0.04445 -0.00527 0.04181 106 3PY 0.42505 -0.11009 0.51759 -0.37897 0.81631 107 3PZ 0.01498 0.08191 0.06975 -0.00663 0.03837 108 4XX -0.00078 0.01216 0.03911 0.01382 0.06801 109 4YY 0.09871 -0.01500 0.11577 -0.04991 0.11662 110 4ZZ -0.01244 0.02886 0.04629 0.00902 0.05482 111 4XY 0.02795 -0.00688 0.01093 0.00670 -0.00350 112 4XZ -0.01556 0.02335 -0.00106 0.02575 -0.01754 113 4YZ -0.00340 0.00769 0.02542 0.00416 0.01742 114 12 O 1S -0.00909 -0.00552 0.01819 -0.00662 -0.01983 115 2S 0.04376 -0.04762 -0.17115 -0.02075 0.21713 116 2PX 0.03450 -0.04805 -0.06256 -0.02202 0.01585 117 2PY 0.17442 0.19029 -0.23860 0.13220 0.29593 118 2PZ -0.15866 0.04263 0.02323 -0.13985 0.04513 119 3S 0.51477 0.91698 -0.63808 0.52567 0.31192 120 3PX 0.11650 0.04543 -0.01827 -0.02218 -0.03396 121 3PY -0.32352 -0.32382 0.53139 -0.36699 -0.76146 122 3PZ 0.04466 -0.07047 -0.07027 0.00795 0.02260 123 4XX -0.00043 -0.01051 -0.03741 -0.01318 0.06888 124 4YY 0.07960 0.05909 -0.11953 0.04720 0.11456 125 4ZZ -0.00220 -0.02820 -0.04555 -0.00960 0.06339 126 4XY -0.01632 -0.01285 0.00646 0.01215 0.00918 127 4XZ -0.00457 -0.02877 0.00330 -0.02505 -0.01588 128 4YZ 0.00120 0.01090 0.02451 0.00532 -0.01364 129 13 C 1S 0.00739 0.00059 -0.00030 -0.00009 0.00172 130 2S -0.01266 0.00292 0.00210 0.00047 -0.02486 131 2PX 0.07533 0.02842 -0.00520 -0.01342 -0.15235 132 2PY -0.06378 0.25796 0.01757 -0.27335 0.04028 133 2PZ 0.01088 0.01588 -0.00618 -0.00149 -0.19885 134 3S 0.30297 0.04590 -0.00184 0.00234 -0.18255 135 3PX -0.29868 -0.12516 0.01453 0.03709 0.59296 136 3PY 0.24756 -1.05965 -0.00217 0.59663 -0.25350 137 3PZ 0.22303 0.01780 0.00880 -0.00887 0.15025 138 4XX -0.05439 -0.00946 0.00250 0.00112 0.05638 139 4YY 0.02426 0.00112 -0.00141 -0.00129 -0.02642 140 4ZZ 0.04018 0.00958 -0.00091 0.00037 -0.03399 141 4XY -0.00778 0.05292 0.02279 0.03265 0.00354 142 4XZ -0.04314 -0.00761 0.00101 -0.00087 0.00643 143 4YZ 0.00218 -0.00018 0.01058 0.00089 -0.00697 144 14 H 1S -0.11225 -0.02987 0.00004 -0.00764 0.16315 145 2S 0.33100 0.08867 -0.01314 -0.00041 -0.53705 146 15 H 1S 0.19865 0.05102 -0.00383 -0.00056 -0.18188 147 2S -0.01825 -0.01534 0.00821 -0.00998 0.21896 148 16 C 1S -0.01668 0.00726 -0.00954 0.01939 0.00162 149 2S 0.09681 0.17858 -0.03617 -0.00746 -0.10571 150 2PX -0.00699 0.14180 0.08580 -0.09271 0.15584 151 2PY 0.13262 0.27397 0.07435 0.12292 -0.04731 152 2PZ -0.06434 0.01343 0.17654 0.00731 0.00657 153 3S -0.10488 -0.47526 -0.23267 -0.85212 0.10051 154 3PX -0.16446 -0.78485 -0.20970 0.69927 -0.24096 155 3PY 0.00696 -0.84354 -0.09086 -0.96106 0.22414 156 3PZ 0.02507 0.05601 -0.45259 -0.27468 0.13706 157 4XX -0.00252 -0.03458 -0.01314 -0.01861 -0.01584 158 4YY -0.03560 0.04374 0.00415 0.00945 0.02926 159 4ZZ 0.02233 0.00042 -0.01530 -0.00281 -0.02200 160 4XY 0.04104 -0.02138 0.00668 0.03263 -0.01684 161 4XZ 0.00745 -0.01034 0.02799 0.01406 0.01686 162 4YZ 0.01375 0.02103 -0.02286 -0.03500 -0.01347 163 17 H 1S -0.06567 0.16876 -0.03471 -0.01954 0.03443 164 2S 0.20216 -0.43517 -0.03218 -0.50161 0.06638 165 18 C 1S -0.00489 0.00164 -0.01236 -0.02544 0.00382 166 2S 0.09869 0.18000 -0.08757 0.13719 -0.30459 167 2PX -0.07355 -0.10458 -0.05872 0.09034 -0.00558 168 2PY 0.03031 0.11582 0.29968 0.04387 0.06606 169 2PZ -0.01468 -0.04022 0.18921 0.33184 -0.01351 170 3S 0.00066 -0.39605 -0.03470 0.81872 0.59097 171 3PX 0.01166 0.27674 0.12288 -0.01602 -0.01477 172 3PY -0.05348 -0.26399 -0.82268 0.55471 -0.07238 173 3PZ -0.01185 0.29019 -0.39158 -1.70446 0.22058 174 4XX -0.00264 0.00011 0.01272 0.02279 -0.00563 175 4YY 0.02382 -0.01265 -0.05575 0.00272 -0.01362 176 4ZZ -0.02215 0.03496 0.00290 0.00649 -0.02344 177 4XY -0.00195 0.00504 -0.01154 -0.00405 -0.00351 178 4XZ -0.02797 -0.01900 -0.00988 -0.01830 0.01600 179 4YZ 0.02766 -0.00864 0.00658 0.00554 -0.03926 180 19 H 1S -0.08634 -0.01839 -0.12688 -0.10969 0.06289 181 2S 0.05376 -0.16992 -0.05423 0.90490 -0.32286 182 20 C 1S -0.01150 -0.01228 0.01016 -0.02002 -0.00477 183 2S 0.17623 -0.15278 0.02681 0.01095 -0.10595 184 2PX 0.03721 -0.13860 -0.08841 0.09389 0.10660 185 2PY -0.24094 0.21449 0.08391 0.11493 0.12178 186 2PZ -0.05418 -0.06636 -0.18712 -0.01719 0.08570 187 3S -0.34684 0.48213 0.27488 0.85998 0.16713 188 3PX -0.42906 0.62709 0.20615 -0.75770 -0.01800 189 3PY 0.40395 -0.82452 -0.11430 -0.92197 -0.56045 190 3PZ 0.03603 0.02932 0.48155 0.32133 -0.25149 191 4XX -0.02016 0.02506 0.01494 0.02123 -0.00229 192 4YY -0.00873 -0.05239 -0.00457 -0.01315 0.02105 193 4ZZ 0.01989 0.01023 0.01519 0.00295 -0.02699 194 4XY -0.02800 -0.04378 0.00617 0.02720 0.01942 195 4XZ -0.00049 0.01358 -0.03001 -0.01788 0.01995 196 4YZ -0.02251 0.01192 -0.02088 -0.03506 0.01814 197 21 H 1S 0.01302 -0.18019 0.03605 0.01547 -0.00027 198 2S -0.02020 0.47748 0.03289 0.51289 0.21151 199 22 C 1S -0.00334 -0.00447 0.01271 0.02585 0.00446 200 2S 0.16332 -0.10408 0.08989 -0.13331 -0.32045 201 2PX -0.11849 0.10292 0.09235 -0.08657 -0.00271 202 2PY -0.06400 0.10106 0.29631 0.04842 -0.16064 203 2PZ -0.03141 0.02354 -0.19264 -0.33502 0.02649 204 3S -0.12753 0.28507 0.00788 -0.85242 0.44794 205 3PX 0.14445 -0.31582 -0.20671 0.04250 0.00065 206 3PY 0.13574 -0.23017 -0.81857 0.54517 0.58998 207 3PZ 0.09187 -0.24717 0.40667 1.72463 0.07115 208 4XX -0.00288 0.00196 -0.01304 -0.02343 -0.00267 209 4YY 0.01742 0.02262 0.05690 -0.00140 -0.03212 210 4ZZ -0.00476 -0.04401 -0.00316 -0.00764 -0.01388 211 4XY 0.00132 0.00567 -0.00729 -0.00273 0.00325 212 4XZ -0.03488 0.00532 0.01060 0.01676 0.01877 213 4YZ -0.01886 -0.01795 0.00839 0.00579 0.03213 214 23 H 1S -0.08203 -0.02219 0.13260 0.11607 0.06966 215 2S -0.01617 0.18412 0.04251 -0.91537 -0.42052 101 102 103 104 105 V V V V V Eigenvalues -- 0.81405 0.81920 0.82899 0.83197 0.84129 1 1 C 1S -0.01280 0.00191 0.00266 0.01791 0.00877 2 2S 0.02455 0.06484 0.02865 -0.12407 -0.11203 3 2PX -0.13841 0.07790 0.04406 0.29875 0.08937 4 2PY 0.11909 0.02299 0.03076 0.23845 -0.01997 5 2PZ -0.03662 -0.02107 -0.08962 -0.25649 -0.12335 6 3S -0.86654 0.13954 0.09451 -1.14800 -0.05035 7 3PX 0.24365 -0.09835 -0.00894 -1.39796 -0.43134 8 3PY -0.68573 -0.13055 -0.05577 -1.23679 0.14344 9 3PZ 0.30855 0.06047 0.20668 1.20915 0.53706 10 4XX -0.02197 -0.00214 -0.03633 0.00179 -0.01343 11 4YY -0.02874 0.01664 0.00401 -0.06426 -0.00245 12 4ZZ 0.02265 -0.00560 0.02846 0.00269 -0.00767 13 4XY -0.00506 0.00009 0.03836 0.01529 0.00848 14 4XZ 0.02111 -0.00416 -0.00655 -0.01403 0.00260 15 4YZ 0.00439 0.01531 0.00707 -0.01555 -0.00616 16 2 C 1S -0.00982 -0.00226 -0.00179 0.00211 0.00213 17 2S -0.03538 -0.07357 -0.14284 -0.13821 -0.19555 18 2PX 0.08683 0.01218 0.11901 0.04922 0.02062 19 2PY -0.09560 0.05298 -0.00115 -0.07866 -0.02173 20 2PZ 0.08754 0.11570 0.16414 0.03554 0.02567 21 3S 0.46256 0.03007 1.13015 1.85168 1.03586 22 3PX -0.01433 0.10337 0.06894 0.14190 -0.19232 23 3PY 0.81924 0.12871 0.14366 0.83569 0.31401 24 3PZ -0.41252 -0.30009 -0.68206 -0.14736 -0.01150 25 4XX 0.03008 0.01158 0.05996 -0.01524 -0.00855 26 4YY -0.00449 -0.04054 0.00773 0.08516 0.02704 27 4ZZ -0.02869 0.00402 -0.06262 -0.03023 -0.01489 28 4XY 0.01754 -0.00729 0.01458 0.00917 0.00740 29 4XZ 0.01026 -0.01247 0.00151 -0.00817 -0.00209 30 4YZ -0.02081 0.00053 -0.01145 0.00847 -0.01177 31 3 C 1S 0.01071 0.00163 -0.00050 0.02116 -0.00183 32 2S -0.05728 -0.05547 0.23855 0.01921 0.05856 33 2PX -0.16570 -0.11216 -0.13457 -0.08954 -0.16317 34 2PY 0.26057 -0.00085 -0.08686 -0.15591 0.12942 35 2PZ 0.25804 -0.05066 0.10204 0.10091 0.06795 36 3S -0.63528 -0.13984 -0.93287 -0.87756 -0.57572 37 3PX 1.07562 0.19467 0.67965 0.66599 0.67092 38 3PY -0.73791 0.08726 0.63780 0.20258 -0.53343 39 3PZ -0.90800 0.07921 -0.18015 -0.81113 -0.23532 40 4XX -0.02087 0.00004 -0.05611 -0.01583 0.00125 41 4YY -0.03523 -0.00239 0.00584 0.00994 -0.01796 42 4ZZ 0.02611 0.00080 0.05814 0.00175 -0.00715 43 4XY -0.01018 0.01260 -0.04949 -0.01210 -0.00736 44 4XZ -0.02373 0.01273 -0.03315 -0.00034 -0.01466 45 4YZ 0.01015 -0.00806 -0.02877 0.00230 0.00991 46 4 C 1S -0.01050 0.00382 0.00191 -0.02066 0.00128 47 2S 0.03540 -0.06422 0.24462 -0.00185 -0.06675 48 2PX 0.18997 -0.12629 -0.13461 0.06587 0.17542 49 2PY 0.25520 0.00572 0.10416 -0.15554 0.11733 50 2PZ -0.20116 -0.02740 0.12857 -0.10001 -0.06818 51 3S 0.80280 -0.18423 -1.05667 0.78781 0.62905 52 3PX -1.14668 0.26637 0.69084 -0.59816 -0.71984 53 3PY -0.66576 -0.09606 -0.63128 0.20214 -0.46569 54 3PZ 0.87559 -0.02608 -0.30711 0.79679 0.24964 55 4XX 0.02224 -0.00262 -0.05156 0.01031 -0.00075 56 4YY 0.02696 -0.00197 0.00077 -0.00758 0.01842 57 4ZZ -0.02132 0.00171 0.05802 0.00218 0.00498 58 4XY -0.00471 -0.01119 0.05419 -0.01033 -0.00823 59 4XZ 0.01324 0.01220 -0.03235 -0.00094 0.01498 60 4YZ -0.00186 0.00720 0.02956 0.00540 0.00773 61 5 C 1S 0.01539 -0.00234 -0.00157 -0.00266 -0.00134 62 2S 0.07635 -0.07615 -0.14626 0.12064 0.20655 63 2PX -0.08574 0.01449 0.12371 -0.04664 -0.02752 64 2PY -0.05627 -0.04964 0.00344 -0.08209 -0.01862 65 2PZ -0.11122 0.11961 0.17192 -0.02145 -0.03409 66 3S -0.29501 0.09923 1.25270 -1.77521 -1.08714 67 3PX -0.04132 0.11342 0.07431 -0.07176 0.20645 68 3PY 1.00031 -0.18723 -0.22941 0.81891 0.31891 69 3PZ 0.54043 -0.33236 -0.69284 0.08614 0.04107 70 4XX -0.03308 0.01295 0.05570 0.02036 0.00781 71 4YY 0.04016 -0.03764 0.01548 -0.08825 -0.02612 72 4ZZ 0.02059 0.00200 -0.06302 0.02628 0.01666 73 4XY 0.01999 0.00152 -0.02068 0.00108 0.00498 74 4XZ -0.01564 -0.01238 -0.00027 0.00885 0.00111 75 4YZ -0.02285 0.00156 0.01192 0.00863 -0.01195 76 6 C 1S 0.01255 0.00113 0.00294 -0.01767 -0.00901 77 2S 0.08348 0.06984 0.02559 0.12399 0.11324 78 2PX 0.11922 0.06545 0.05400 -0.27540 -0.09653 79 2PY 0.17165 -0.04009 -0.05055 0.25090 -0.00935 80 2PZ 0.05953 -0.02554 -0.09788 0.24707 0.12913 81 3S 0.52673 0.06792 0.00754 1.16944 0.03883 82 3PX -0.23213 -0.07221 -0.07464 1.30659 0.45022 83 3PY -0.90044 0.20409 0.14115 -1.30355 0.10135 84 3PZ -0.36001 0.08200 0.26153 -1.18199 -0.55271 85 4XX 0.02732 -0.00275 -0.03978 -0.00315 0.01540 86 4YY 0.03197 0.01374 0.00406 0.06300 0.00120 87 4ZZ -0.01564 -0.00366 0.02821 -0.00093 0.00746 88 4XY -0.00498 0.00119 -0.03545 0.01786 0.00947 89 4XZ -0.02769 -0.00392 -0.00636 0.01250 -0.00239 90 4YZ 0.00857 -0.01506 -0.00589 -0.01759 -0.00601 91 7 H 1S -0.10655 -0.01028 0.10322 0.22964 0.10104 92 2S 0.02513 -0.07779 -0.17224 -1.32547 -0.34908 93 8 H 1S 0.22912 -0.08208 0.11080 0.06124 0.03715 94 2S -0.86445 0.10432 -0.03943 -0.29884 -0.28465 95 9 H 1S -0.17045 -0.06517 0.12022 -0.05727 -0.04118 96 2S 0.77497 0.03703 -0.11343 0.30514 0.28963 97 10 H 1S 0.11711 -0.01708 0.10826 -0.22392 -0.10693 98 2S 0.13042 -0.08326 -0.23202 1.30017 0.36954 99 11 O 1S -0.00167 -0.00561 0.00066 0.00166 0.00130 100 2S -0.08527 0.06779 0.04647 -0.09468 -0.03701 101 2PX -0.03982 0.01528 0.08363 0.01060 -0.01019 102 2PY -0.04879 -0.08440 0.02090 0.15056 0.03966 103 2PZ -0.00927 0.06528 0.04716 -0.02288 0.06516 104 3S 0.44081 0.02979 -0.21509 0.15705 -0.01585 105 3PX 0.07918 -0.01877 -0.05353 0.00416 0.03070 106 3PY 0.06383 0.21134 -0.08443 -0.32800 -0.10317 107 3PZ 0.06915 -0.00833 0.05017 0.01201 -0.05670 108 4XX -0.00904 0.02504 0.02856 -0.02725 -0.00116 109 4YY -0.01335 0.02777 -0.00335 -0.06956 -0.03465 110 4ZZ -0.03622 0.01975 0.00270 -0.02910 -0.00513 111 4XY 0.00708 0.00292 -0.00567 -0.01441 -0.00007 112 4XZ -0.00452 -0.00083 0.02745 0.00665 0.00569 113 4YZ 0.00911 0.00702 0.01315 0.00815 0.00150 114 12 O 1S 0.00676 -0.00566 0.00072 -0.00216 -0.00118 115 2S 0.03110 0.06003 0.04118 0.10220 0.03351 116 2PX 0.03066 0.02112 0.08181 0.00591 0.00956 117 2PY -0.13313 0.07809 -0.03504 0.15546 0.03519 118 2PZ -0.00477 0.06056 0.04507 0.02821 -0.06904 119 3S -0.54135 0.05304 -0.19427 -0.16494 0.02021 120 3PX -0.06608 -0.03199 -0.04684 -0.03154 -0.03441 121 3PY 0.27105 -0.19954 0.10922 -0.33907 -0.09468 122 3PZ -0.07562 -0.00130 0.05156 -0.00755 0.05556 123 4XX -0.00726 0.02298 0.02638 0.02936 -0.00042 124 4YY -0.01840 0.02433 -0.00728 0.07229 0.03354 125 4ZZ 0.02057 0.01709 0.00124 0.03095 0.00408 126 4XY 0.00439 -0.00250 0.00427 -0.01098 0.00245 127 4XZ 0.00958 -0.00152 0.02579 -0.00447 -0.00658 128 4YZ 0.01285 -0.00762 -0.01591 0.00736 0.00248 129 13 C 1S -0.00001 0.01597 -0.00488 0.00043 -0.00005 130 2S 0.00030 -0.10421 -0.04304 -0.00560 0.00231 131 2PX 0.04082 0.24207 -0.47409 -0.01376 0.00883 132 2PY 0.23988 -0.02440 0.01393 0.15899 0.00137 133 2PZ 0.05436 0.54833 -0.59421 -0.02152 0.00850 134 3S 0.03495 0.98693 1.15697 0.06971 -0.02345 135 3PX -0.16575 -0.64299 1.02898 0.01813 -0.01435 136 3PY -1.67284 0.10241 -0.04142 -0.57725 0.06527 137 3PZ -0.09969 -1.22559 1.54858 0.06140 -0.02277 138 4XX -0.00589 -0.02989 0.01908 0.00306 -0.00201 139 4YY -0.00127 -0.01697 0.05211 0.00013 0.00008 140 4ZZ 0.00780 0.07293 -0.04637 -0.00161 0.00135 141 4XY 0.05127 -0.00068 0.00232 0.00326 -0.01142 142 4XZ -0.00485 -0.07232 -0.03952 -0.00177 0.00164 143 4YZ -0.04806 0.00394 0.00088 0.01608 0.03099 144 14 H 1S -0.03498 -0.26104 -0.10005 0.00367 -0.00173 145 2S 0.10769 0.79303 -1.02494 -0.05011 0.02071 146 15 H 1S 0.03551 0.21867 -0.29885 -0.01205 0.00607 147 2S -0.09259 -1.25756 0.90032 0.03140 -0.01444 148 16 C 1S 0.02259 0.01986 0.01018 -0.03169 0.01757 149 2S -0.00159 -0.04778 -0.08280 0.19016 -0.14045 150 2PX 0.20243 0.06462 -0.06327 0.18162 -0.02734 151 2PY 0.30023 0.22740 0.36976 -0.42223 0.02441 152 2PZ -0.28964 0.08705 -0.09083 -0.14523 -0.00088 153 3S -0.21759 -0.48972 0.06730 0.05804 1.36796 154 3PX -0.98923 0.11591 -0.30359 -0.78715 0.08696 155 3PY -1.26715 -1.04684 -1.20873 1.39597 0.42124 156 3PZ 1.42100 -0.20275 -0.06701 0.91817 0.55101 157 4XX -0.03437 0.00278 -0.00700 0.01857 -0.03809 158 4YY 0.01316 0.03057 -0.00764 -0.05936 0.03289 159 4ZZ 0.02156 -0.04098 -0.00491 0.06038 0.02026 160 4XY 0.00032 0.00797 0.01882 0.01217 -0.01717 161 4XZ -0.00604 0.01017 -0.01737 -0.01008 -0.01065 162 4YZ 0.02067 0.00747 0.00218 -0.01321 0.06288 163 17 H 1S 0.12998 0.16462 0.08192 -0.29520 0.07582 164 2S -0.51831 -0.71871 -0.71367 1.35517 -0.12858 165 18 C 1S -0.00373 -0.03438 -0.00404 -0.00753 0.02131 166 2S 0.09561 0.06174 0.14362 0.07201 -0.11226 167 2PX -0.07684 -0.07266 0.02887 -0.01526 0.27116 168 2PY -0.40724 -0.27940 -0.14025 -0.10920 0.41638 169 2PZ -0.13456 0.40282 0.09642 -0.05384 -0.57581 170 3S 0.51510 -0.33240 -0.38591 -0.86435 -1.36577 171 3PX 0.18739 0.42240 0.04105 -0.13815 -1.18712 172 3PY 2.09986 0.78232 0.55903 0.34470 -1.79109 173 3PZ 0.47955 -1.24336 -0.40309 0.87014 2.51046 174 4XX -0.00968 0.02511 0.03245 0.00850 -0.00411 175 4YY 0.07414 -0.02538 -0.00360 0.01854 -0.07952 176 4ZZ -0.03289 0.00458 -0.00256 -0.03899 0.00849 177 4XY 0.00811 -0.03524 0.02983 -0.00668 0.00549 178 4XZ -0.00002 0.03540 -0.02833 0.01475 -0.01735 179 4YZ -0.01370 0.06522 0.02227 0.02575 -0.02726 180 19 H 1S -0.04043 -0.27427 -0.02632 -0.08788 0.30784 181 2S 0.50915 1.31572 0.50541 -0.01044 -2.03071 182 20 C 1S -0.02158 0.02009 0.00511 0.03294 -0.01842 183 2S 0.02136 -0.03836 -0.05233 -0.19897 0.14801 184 2PX -0.21727 0.07290 -0.07387 -0.20890 0.02991 185 2PY 0.29051 -0.23811 -0.30865 -0.44476 0.03838 186 2PZ 0.27950 0.07008 -0.08980 0.14778 0.00249 187 3S 0.17431 -0.50391 -0.00952 -0.07917 -1.38841 188 3PX 0.95634 0.07805 -0.27279 0.85170 -0.04078 189 3PY -1.20866 1.07294 1.04945 1.47193 0.37761 190 3PZ -1.38890 -0.09231 -0.06744 -0.94991 -0.53604 191 4XX 0.03510 0.00026 -0.00756 -0.01919 0.03568 192 4YY -0.01670 0.03088 -0.01162 0.05989 -0.03123 193 4ZZ -0.01869 -0.03735 -0.00008 -0.06285 -0.01927 194 4XY -0.00947 -0.00646 -0.02241 0.01827 -0.02369 195 4XZ 0.00301 0.00987 -0.01619 0.00901 0.01528 196 4YZ 0.01550 -0.00940 0.00282 -0.01382 0.06197 197 21 H 1S -0.13060 0.16611 0.04333 0.31216 -0.08345 198 2S 0.46012 -0.70491 -0.55549 -1.44155 0.16225 199 22 C 1S 0.00040 -0.03427 -0.00626 0.00623 -0.02095 200 2S -0.01105 0.06845 0.15975 -0.06491 0.11125 201 2PX 0.04246 -0.06111 0.02737 0.00595 -0.24265 202 2PY -0.36312 0.31289 0.13250 -0.09032 0.42958 203 2PZ 0.15681 0.39042 0.12852 0.07862 0.57380 204 3S -0.68517 -0.32061 -0.47115 0.84463 1.37218 205 3PX -0.00938 0.37799 0.03334 0.18827 1.05346 206 3PY 1.96864 -0.94970 -0.52957 0.26720 -1.84897 207 3PZ -0.57608 -1.17151 -0.46998 -0.94945 -2.50097 208 4XX 0.01307 0.02869 0.03092 -0.00629 0.00409 209 4YY -0.07048 -0.02361 0.00019 -0.01970 0.07905 210 4ZZ 0.03733 0.00135 -0.00479 0.04023 -0.00805 211 4XY 0.00202 0.03053 -0.03148 -0.00827 0.01297 212 4XZ -0.00421 0.03012 -0.02992 -0.01433 0.01567 213 4YZ -0.02694 -0.06731 -0.02425 0.02330 -0.02798 214 23 H 1S 0.00797 -0.27703 -0.04683 0.07627 -0.30603 215 2S -0.33441 1.33632 0.56427 0.09347 2.01491 106 107 108 109 110 V V V V V Eigenvalues -- 0.84574 0.86545 0.87763 0.88187 0.89109 1 1 C 1S -0.01641 -0.01477 -0.00401 -0.01055 0.00298 2 2S 0.12303 0.45242 -0.11798 -0.28172 -0.33473 3 2PX -0.34740 -0.28966 -0.09006 -0.15329 0.20790 4 2PY -0.34341 -0.20863 -0.09526 0.01581 0.15892 5 2PZ 0.27502 0.25873 -0.01855 0.03442 -0.18463 6 3S 0.59676 -0.86798 0.74464 0.65673 0.68540 7 3PX 1.29229 0.67090 0.54256 0.34292 -0.41531 8 3PY 1.37697 0.35695 0.27401 -0.21390 -0.31124 9 3PZ -0.95882 -0.57248 0.04846 -0.14671 0.35659 10 4XX -0.02467 -0.00731 -0.03045 -0.03595 -0.01519 11 4YY 0.07380 0.04070 0.01704 -0.02537 -0.03134 12 4ZZ -0.00821 0.02351 0.00125 0.01777 -0.00961 13 4XY -0.01103 -0.07305 -0.00137 0.00059 0.04047 14 4XZ 0.04121 0.04262 0.01665 0.03816 -0.01846 15 4YZ 0.00911 0.06733 0.01528 0.01432 -0.04777 16 2 C 1S -0.00189 0.00024 -0.00284 0.00044 -0.00979 17 2S 0.01485 -0.00206 -0.05653 -0.09874 -0.30414 18 2PX 0.14886 -0.04564 0.05484 -0.08446 -0.06430 19 2PY 0.03577 0.00891 0.01942 -0.05477 0.10222 20 2PZ 0.04296 0.06321 0.07388 0.09660 0.01234 21 3S -0.29782 -0.25862 -0.19748 0.27709 0.87819 22 3PX -0.22500 0.22166 -0.17931 0.49720 0.26106 23 3PY -0.10551 0.00096 -0.25370 0.19840 0.25329 24 3PZ -0.01523 -0.20757 -0.69241 -0.57360 -0.08666 25 4XX 0.01828 0.02946 0.04728 0.03415 -0.02515 26 4YY -0.04882 -0.04335 -0.07212 -0.00790 0.01938 27 4ZZ 0.01029 0.00325 -0.00674 -0.03399 -0.02242 28 4XY 0.03141 -0.00353 -0.00390 0.03389 0.01772 29 4XZ -0.00656 -0.00960 -0.00143 0.00730 0.02129 30 4YZ -0.02383 -0.00233 -0.01805 -0.03413 -0.00993 31 3 C 1S 0.02145 0.00618 -0.01409 0.00827 0.00364 32 2S -0.10049 -0.39090 0.34239 0.14058 -0.27913 33 2PX -0.07828 -0.16152 -0.14483 -0.24991 -0.21857 34 2PY 0.00385 0.15098 -0.20477 -0.03659 0.15029 35 2PZ 0.22636 0.21170 -0.59385 0.03995 0.30042 36 3S 0.02404 0.68307 -0.31191 -0.77314 0.32842 37 3PX 0.29333 0.41822 0.50341 0.61554 0.49307 38 3PY -0.42776 -0.31435 1.13175 0.29046 -0.15924 39 3PZ -0.79715 -0.51269 1.75570 -0.25198 -0.60737 40 4XX -0.00625 -0.02884 0.01821 0.00483 -0.02398 41 4YY -0.01126 -0.02337 0.04345 0.01387 -0.02914 42 4ZZ 0.00674 -0.00263 -0.00953 0.00054 -0.00018 43 4XY -0.00132 -0.02793 0.00698 -0.04379 -0.02339 44 4XZ -0.02692 -0.01026 0.00315 -0.04850 -0.01217 45 4YZ 0.00382 0.02796 -0.02841 -0.02543 0.05498 46 4 C 1S -0.02102 0.00759 0.01317 0.00916 0.00518 47 2S 0.09220 -0.39578 -0.32771 0.14100 -0.30286 48 2PX 0.06843 -0.18316 0.14249 -0.25741 -0.22924 49 2PY -0.00407 -0.12626 -0.20553 0.04100 -0.13807 50 2PZ -0.21365 0.21032 0.58008 0.05023 0.33171 51 3S -0.02432 0.68664 0.32259 -0.82161 0.35810 52 3PX -0.29301 0.48933 -0.44396 0.62466 0.50821 53 3PY -0.40971 0.21998 1.15657 -0.27482 0.13738 54 3PZ 0.77039 -0.53535 -1.73422 -0.28597 -0.72300 55 4XX 0.00415 -0.02630 -0.01831 0.01064 -0.02229 56 4YY 0.00981 -0.02531 -0.04052 0.00870 -0.03398 57 4ZZ -0.00467 -0.00302 0.00800 0.00008 0.00020 58 4XY 0.00190 0.02911 0.00334 0.04417 0.02384 59 4XZ 0.02527 -0.01181 -0.00645 -0.04674 -0.01521 60 4YZ 0.00117 -0.02661 -0.02649 0.02598 -0.05541 61 5 C 1S 0.00224 0.00000 0.00394 0.00041 -0.00972 62 2S -0.02003 -0.01279 0.08128 -0.10168 -0.31573 63 2PX -0.14333 -0.03988 -0.06368 -0.08408 -0.07083 64 2PY 0.04352 -0.00714 0.02901 0.06126 -0.09572 65 2PZ -0.03820 0.06718 -0.07747 0.10111 0.00760 66 3S 0.33768 -0.21330 0.10967 0.30458 0.96700 67 3PX 0.21806 0.23208 0.18791 0.49271 0.25226 68 3PY -0.11185 -0.01814 -0.23706 -0.24609 -0.28509 69 3PZ 0.00097 -0.24269 0.69686 -0.58098 -0.05240 70 4XX -0.01238 0.03107 -0.04621 0.02869 -0.02918 71 4YY 0.04627 -0.04607 0.07134 -0.00310 0.02439 72 4ZZ -0.01234 0.00287 0.00938 -0.03321 -0.02250 73 4XY 0.03582 -0.00333 0.00328 -0.03655 -0.01464 74 4XZ 0.00444 -0.00967 -0.00145 0.00855 0.02202 75 4YZ -0.02438 0.00479 -0.01925 0.03443 0.00867 76 6 C 1S 0.01610 -0.01522 0.00301 -0.01056 0.00328 77 2S -0.09844 0.45324 0.13288 -0.28351 -0.33266 78 2PX 0.31888 -0.28909 0.06085 -0.14946 0.20213 79 2PY -0.35614 0.24460 -0.08459 -0.00841 -0.16624 80 2PZ -0.26813 0.26541 0.04223 0.03328 -0.18262 81 3S -0.64748 -0.84057 -0.76853 0.65937 0.67099 82 3PX -1.18562 0.69869 -0.46970 0.33840 -0.43032 83 3PY 1.43435 -0.44729 0.28148 0.19696 0.30889 84 3PZ 0.94204 -0.59806 -0.10730 -0.14048 0.35988 85 4XX 0.02216 -0.00115 0.03367 -0.03559 -0.01943 86 4YY -0.07039 0.03509 -0.01637 -0.02572 -0.02567 87 4ZZ 0.01038 0.02375 -0.00250 0.01738 -0.01082 88 4XY -0.01684 0.07661 0.00030 0.00070 -0.04159 89 4XZ -0.04039 0.04016 -0.01247 0.03701 -0.01459 90 4YZ 0.01011 -0.07044 0.01157 -0.01654 0.04982 91 7 H 1S -0.30711 -0.34635 -0.06495 -0.03706 0.27537 92 2S 1.44856 1.23136 0.23988 0.10843 -0.83381 93 8 H 1S 0.13688 0.11035 -0.29352 -0.04836 0.24739 94 2S -0.68126 -0.72727 1.49385 -0.02326 -0.78834 95 9 H 1S -0.12468 0.11044 0.27396 -0.03885 0.26245 96 2S 0.65052 -0.72783 -1.45954 -0.06789 -0.86880 97 10 H 1S 0.30045 -0.35836 0.04133 -0.03545 0.27548 98 2S -1.40971 1.28409 -0.15342 0.09715 -0.83526 99 11 O 1S -0.00655 -0.00281 -0.00323 -0.00188 -0.00425 100 2S 0.10448 0.05922 0.13140 -0.04150 -0.10745 101 2PX -0.01417 -0.09005 0.01827 -0.03956 -0.06333 102 2PY -0.04119 -0.09062 -0.10900 0.00454 0.08440 103 2PZ 0.01556 0.02662 0.11299 0.01785 -0.00108 104 3S -0.07212 0.01353 -0.22825 0.14323 0.17497 105 3PX 0.05089 0.02879 0.06065 0.01621 0.04683 106 3PY 0.15680 0.19654 0.21803 0.00348 -0.04314 107 3PZ 0.00441 0.04142 -0.01216 0.04112 0.00637 108 4XX 0.02386 0.02639 0.05343 -0.00484 -0.01952 109 4YY 0.04082 0.03564 0.06243 -0.00896 -0.07750 110 4ZZ 0.02294 0.01056 0.01778 -0.02468 -0.01388 111 4XY 0.01136 0.01700 -0.00800 -0.01984 -0.01669 112 4XZ 0.00443 -0.01033 0.01478 0.00429 0.00886 113 4YZ -0.00127 -0.00871 0.01199 0.01818 0.00108 114 12 O 1S 0.00666 -0.00317 0.00356 -0.00171 -0.00398 115 2S -0.10485 0.06758 -0.12673 -0.04331 -0.10833 116 2PX 0.01156 -0.08271 -0.02407 -0.04138 -0.07090 117 2PY -0.04596 0.09784 -0.10381 -0.00012 -0.08672 118 2PZ -0.01459 0.02841 -0.10688 0.01921 -0.00836 119 3S 0.06067 -0.00044 0.22097 0.14646 0.16478 120 3PX -0.04212 0.01518 -0.05248 0.01434 0.04852 121 3PY 0.16739 -0.20398 0.22023 -0.00430 0.05589 122 3PZ -0.00186 0.04436 0.00574 0.04141 0.00797 123 4XX -0.02207 0.02711 -0.05444 -0.00308 -0.01879 124 4YY -0.04372 0.04005 -0.05711 -0.01177 -0.08110 125 4ZZ -0.02336 0.01230 -0.01706 -0.02443 -0.01307 126 4XY 0.00922 -0.01613 -0.00818 0.01906 0.01169 127 4XZ -0.00359 -0.00858 -0.01539 0.00263 0.00939 128 4YZ -0.00067 0.00895 0.01351 -0.01868 -0.00108 129 13 C 1S 0.00006 0.00245 0.00127 -0.02708 0.00996 130 2S -0.00532 -0.39238 -0.00463 0.24521 -0.63832 131 2PX -0.00533 -0.25639 -0.00371 0.28306 -0.21267 132 2PY 0.12391 0.00874 -0.00930 -0.01135 0.00864 133 2PZ -0.00898 -0.00803 0.00058 0.23973 0.25510 134 3S 0.04321 0.94987 0.00035 0.22746 1.15856 135 3PX 0.00503 0.68933 -0.02435 -0.28420 0.64812 136 3PY -0.36451 -0.00685 -0.43790 0.00453 -0.03192 137 3PZ 0.03075 -0.18458 -0.00235 -0.49476 -0.59894 138 4XX 0.00128 0.04379 0.00404 -0.07699 -0.00238 139 4YY -0.00031 -0.06210 -0.00311 0.08013 -0.10865 140 4ZZ -0.00070 -0.02915 -0.00060 0.03312 0.02349 141 4XY -0.00042 -0.00524 0.02691 0.00914 -0.00417 142 4XZ 0.00063 0.02167 -0.00022 -0.09441 0.03098 143 4YZ 0.02974 -0.00111 -0.02118 0.00442 -0.00185 144 14 H 1S 0.00230 0.16606 0.01982 -0.71919 0.18842 145 2S -0.02761 -0.80522 -0.01248 0.96971 -0.72438 146 15 H 1S -0.00569 -0.07691 0.00638 -0.11610 0.25387 147 2S 0.01487 -0.25358 0.00011 -0.42193 -0.91380 148 16 C 1S -0.02561 0.00199 0.01056 0.00871 -0.00069 149 2S 0.18667 -0.16196 0.07278 -0.04966 -0.09083 150 2PX 0.11172 0.00540 0.21130 0.09750 -0.02958 151 2PY -0.37860 -0.02504 -0.04223 0.08918 -0.07992 152 2PZ -0.07435 -0.02695 -0.12738 -0.02316 0.02637 153 3S -0.04205 0.25606 -0.07372 0.35105 0.17298 154 3PX -0.48713 0.02490 -0.36285 -0.36402 0.10014 155 3PY 1.38958 -0.02909 -0.16263 -0.29737 0.22222 156 3PZ 0.58733 0.23507 0.76976 0.42527 0.06088 157 4XX -0.00669 -0.02450 0.00525 0.01214 -0.01627 158 4YY -0.03389 0.00923 -0.01274 0.02212 0.01463 159 4ZZ 0.05259 -0.00783 0.02544 -0.02059 -0.01329 160 4XY 0.00905 -0.00507 0.01732 0.05086 -0.00830 161 4XZ -0.00074 0.02697 -0.01297 -0.01529 0.02366 162 4YZ -0.00210 -0.00178 -0.00433 0.04420 0.02500 163 17 H 1S -0.25027 -0.02646 -0.08440 0.00773 -0.01875 164 2S 1.18669 -0.06946 0.16083 -0.18041 0.05394 165 18 C 1S -0.00836 -0.00305 0.00441 0.01182 -0.00370 166 2S 0.12543 -0.11508 -0.04968 -0.09455 -0.11829 167 2PX 0.07547 -0.00677 0.13973 0.03840 -0.06187 168 2PY 0.18002 -0.04859 -0.13841 0.08006 0.00646 169 2PZ -0.05466 0.02861 -0.12048 -0.22859 -0.06224 170 3S -1.42536 -0.14873 0.12029 -0.05248 0.15507 171 3PX -0.40037 -0.00717 -0.32455 -0.03536 0.01120 172 3PY -0.78519 0.21803 0.66905 0.12481 -0.02009 173 3PZ 0.73715 -0.09807 0.75673 0.45288 0.10236 174 4XX 0.01998 0.02236 0.00357 -0.04161 0.00137 175 4YY -0.03048 -0.02080 0.02496 -0.00380 -0.02076 176 4ZZ -0.01662 -0.01801 -0.02710 0.02348 -0.00159 177 4XY -0.00971 0.00231 -0.00250 0.04832 0.02109 178 4XZ -0.00579 -0.01556 0.01918 -0.02771 -0.02352 179 4YZ 0.01539 -0.02872 0.00519 -0.09106 -0.02782 180 19 H 1S -0.00906 0.08016 -0.03591 0.38866 0.09222 181 2S -0.38850 0.05976 -0.11938 -0.59949 -0.22011 182 20 C 1S 0.02598 0.00204 -0.01156 0.00980 -0.00118 183 2S -0.19737 -0.16532 -0.04461 -0.05916 -0.10608 184 2PX -0.13973 0.02311 -0.21366 0.08480 -0.02923 185 2PY -0.38679 0.03217 -0.03021 -0.10412 0.07519 186 2PZ 0.07651 -0.03390 0.12795 -0.01693 0.03374 187 3S 0.04765 0.29511 -0.00948 0.33025 0.20607 188 3PX 0.56721 -0.02814 0.37035 -0.31033 0.08464 189 3PY 1.42570 0.01055 -0.19627 0.34158 -0.21478 190 3PZ -0.59676 0.28924 -0.78506 0.38235 0.02690 191 4XX 0.00549 -0.02255 -0.00532 0.00619 -0.01406 192 4YY 0.03252 0.00574 0.01221 0.03076 0.01242 193 4ZZ -0.05334 -0.00440 -0.02388 -0.02413 -0.01462 194 4XY 0.01085 0.00776 0.01860 -0.04838 0.01145 195 4XZ 0.00076 0.02756 0.01230 -0.01728 0.02377 196 4YZ -0.00238 0.00000 -0.00410 -0.04436 -0.02625 197 21 H 1S 0.25591 -0.03325 0.08582 0.02266 -0.01273 198 2S -1.23530 -0.03805 -0.14405 -0.22062 0.03498 199 22 C 1S 0.00773 -0.00310 -0.00389 0.01147 -0.00373 200 2S -0.11388 -0.11484 0.04441 -0.08275 -0.12917 201 2PX -0.06185 0.00266 -0.15412 0.03146 -0.07041 202 2PY 0.19880 0.05817 -0.13695 -0.09025 0.00816 203 2PZ 0.06814 0.01535 0.12310 -0.21515 -0.05852 204 3S 1.39231 -0.16515 -0.07879 -0.07683 0.21345 205 3PX 0.35218 -0.04482 0.38647 -0.02948 0.03632 206 3PY -0.85928 -0.26004 0.67415 -0.08527 -0.01637 207 3PZ -0.78226 -0.01855 -0.76406 0.36990 0.07784 208 4XX -0.01896 0.02208 -0.00427 -0.04641 -0.00214 209 4YY 0.03070 -0.01882 -0.02441 0.00040 -0.01704 210 4ZZ 0.01777 -0.02015 0.02741 0.02583 -0.00227 211 4XY -0.00523 -0.00573 -0.00227 -0.04521 -0.02236 212 4XZ 0.00519 -0.01226 -0.01813 -0.02185 -0.02104 213 4YZ 0.01332 0.02920 0.00355 0.09374 0.02925 214 23 H 1S 0.00375 0.07785 0.02927 0.39105 0.08898 215 2S 0.44117 0.04299 0.11867 -0.57138 -0.20041 111 112 113 114 115 V V V V V Eigenvalues -- 0.91964 0.92688 0.93773 0.95561 0.96080 1 1 C 1S -0.01857 0.00549 0.00609 -0.01367 0.00457 2 2S -0.59583 -0.23090 0.16671 -0.42050 -0.30607 3 2PX -0.15167 0.09329 0.11384 -0.03319 0.17181 4 2PY 0.07754 -0.32013 0.01407 0.08432 -0.22976 5 2PZ 0.08147 -0.01076 -0.09371 0.02279 -0.22936 6 3S 1.68057 1.43809 -0.33759 1.32113 1.64299 7 3PX 0.39198 -0.64964 -0.40997 0.36141 -1.74244 8 3PY -0.59266 1.94692 0.25837 -0.82978 3.88934 9 3PZ -0.30567 0.21216 0.40681 -0.38626 1.89682 10 4XX -0.02632 -0.02292 -0.02325 0.00915 -0.05554 11 4YY -0.05216 0.04858 0.03375 -0.04625 0.04075 12 4ZZ 0.00018 -0.04584 0.00187 -0.00616 -0.01814 13 4XY -0.02435 0.00542 0.01515 -0.04188 0.00852 14 4XZ 0.04858 0.03414 -0.00527 0.00593 0.02971 15 4YZ 0.01965 -0.01031 -0.00401 -0.01555 -0.00417 16 2 C 1S 0.01212 -0.01464 -0.01076 0.00203 -0.00307 17 2S 0.38326 -0.62799 -0.19170 0.16046 -0.01562 18 2PX -0.09350 -0.04595 0.14758 -0.21350 0.27379 19 2PY -0.07534 0.08674 0.03086 0.05743 0.06730 20 2PZ 0.07353 -0.12925 0.00466 0.04810 -0.26685 21 3S -1.19410 2.45259 0.72047 -1.19417 -0.11271 22 3PX 0.65717 0.04869 -0.50383 0.98676 -3.57809 23 3PY 0.16808 -0.42651 0.35636 -0.24518 -0.26466 24 3PZ -0.56171 0.57625 0.19398 -0.58392 2.76901 25 4XX 0.01950 -0.02829 -0.00103 -0.04363 0.02270 26 4YY 0.03471 -0.04823 -0.02490 0.01214 -0.02289 27 4ZZ -0.01014 0.00950 -0.00792 0.04025 -0.01182 28 4XY 0.04865 0.00265 -0.00266 0.00780 -0.02046 29 4XZ -0.01275 0.01708 0.00187 -0.00006 0.00952 30 4YZ -0.02835 -0.00209 0.00402 0.00213 0.02251 31 3 C 1S -0.00799 0.00785 0.00956 -0.00539 -0.00574 32 2S 0.10940 -0.22020 -0.26254 -0.25421 0.10437 33 2PX -0.04569 -0.05238 -0.14024 0.04615 0.15290 34 2PY -0.08767 -0.16177 0.04462 0.08048 0.23555 35 2PZ -0.02917 0.14303 0.02448 0.07773 -0.11976 36 3S -0.38330 0.90050 0.45137 0.51962 0.45181 37 3PX 0.34226 0.16271 0.16179 0.07721 -2.09329 38 3PY 0.18281 1.02800 -0.16559 0.04950 -2.95141 39 3PZ -0.11879 -0.81658 -0.17344 -0.24085 1.76607 40 4XX 0.01102 -0.01402 -0.01116 -0.00079 -0.00609 41 4YY 0.01332 0.01116 -0.04034 0.00189 -0.02388 42 4ZZ -0.01178 -0.01763 0.03684 -0.04444 0.05483 43 4XY -0.00903 -0.01116 0.01561 0.01866 0.02534 44 4XZ -0.01543 0.02762 0.01328 0.00654 -0.04837 45 4YZ -0.07087 0.00385 0.03583 0.06811 0.00642 46 4 C 1S -0.00897 -0.00818 0.01037 -0.00553 0.00309 47 2S 0.14404 0.22487 -0.26561 -0.24895 -0.15253 48 2PX -0.04937 0.05887 -0.14706 0.07228 -0.11329 49 2PY 0.07425 -0.16910 -0.04679 -0.12327 0.22744 50 2PZ -0.05873 -0.13317 0.03113 0.06159 0.10923 51 3S -0.50190 -0.91295 0.31061 0.60191 -0.33256 52 3PX 0.34645 -0.15808 0.28602 -0.30224 1.86078 53 3PY -0.12568 1.03084 0.12272 0.52356 -3.02901 54 3PZ 0.01227 0.81266 -0.25209 0.04925 -1.70703 55 4XX 0.00984 0.01258 -0.01159 -0.00479 0.00701 56 4YY 0.01336 -0.00724 -0.04146 -0.00278 0.02147 57 4ZZ -0.00924 0.01300 0.03564 -0.03193 -0.06218 58 4XY 0.00717 -0.01294 -0.01650 -0.02062 0.02615 59 4XZ -0.01490 -0.02694 0.01208 -0.00576 0.04944 60 4YZ 0.07069 -0.00023 -0.03735 -0.06893 0.00022 61 5 C 1S 0.01291 0.01384 -0.00843 0.00171 0.00501 62 2S 0.41857 0.60068 -0.11689 0.14453 0.07966 63 2PX -0.08933 0.03156 0.12884 -0.15965 -0.29959 64 2PY 0.08396 0.07581 -0.01951 -0.04575 0.08231 65 2PZ 0.08528 0.12305 0.03674 -0.00467 0.26466 66 3S -1.36223 -2.40968 0.42600 -1.17471 -0.20758 67 3PX 0.63389 -0.03129 -0.27061 0.32634 3.63299 68 3PY -0.22189 -0.35433 -0.43149 0.22779 -0.45881 69 3PZ -0.62693 -0.54924 -0.05282 -0.05080 -2.83359 70 4XX 0.01854 0.02386 -0.00168 -0.04149 -0.02562 71 4YY 0.04008 0.04427 -0.01403 0.01096 0.03198 72 4ZZ -0.01152 -0.00409 -0.00852 0.03659 0.01297 73 4XY -0.04690 0.00788 0.00078 -0.00029 -0.01579 74 4XZ -0.01189 -0.01691 0.00039 0.00466 -0.00620 75 4YZ 0.02924 -0.00334 -0.00316 -0.00752 0.02082 76 6 C 1S -0.01921 -0.00489 0.00533 -0.01182 -0.00713 77 2S -0.58911 0.24901 0.22227 -0.46362 0.20291 78 2PX -0.16153 -0.10828 0.08046 -0.00945 -0.19709 79 2PY -0.09164 -0.30281 -0.07172 -0.03044 -0.22914 80 2PZ 0.07496 0.01641 -0.07116 -0.01353 0.22941 81 3S 1.63387 -1.47532 -0.67719 1.52585 -1.34259 82 3PX 0.48448 0.76955 -0.18129 0.05671 2.03739 83 3PY 0.68299 1.86052 0.28373 0.11044 3.85741 84 3PZ -0.30244 -0.24349 0.22804 -0.05007 -1.94822 85 4XX -0.02334 0.02926 -0.01678 0.00319 0.05490 86 4YY -0.05836 -0.04838 0.02611 -0.04122 -0.05196 87 4ZZ 0.00367 0.04290 0.00878 -0.01015 0.02042 88 4XY 0.02262 0.00157 -0.01112 0.03540 0.00517 89 4XZ 0.04456 -0.03727 -0.01136 0.01324 -0.02957 90 4YZ -0.02370 -0.00532 0.00394 0.01732 -0.00175 91 7 H 1S -0.10889 -0.02248 0.00189 -0.01544 -0.05467 92 2S -0.05505 0.09808 -0.18853 -0.18633 -0.40134 93 8 H 1S -0.28414 0.01162 0.17836 0.07280 0.23276 94 2S 0.28217 -0.29513 -0.46897 -0.39802 0.16239 95 9 H 1S -0.28251 -0.00301 0.17495 0.12100 -0.23622 96 2S 0.33655 0.30126 -0.50446 -0.39238 -0.17805 97 10 H 1S -0.10397 0.03095 0.00796 -0.02252 0.04864 98 2S -0.07415 -0.07714 -0.15973 -0.23840 0.35020 99 11 O 1S -0.00439 0.00674 -0.00480 -0.00196 0.00311 100 2S -0.10332 0.19381 0.02776 -0.13452 0.02374 101 2PX -0.08004 -0.04044 -0.03916 -0.24132 0.00486 102 2PY 0.07946 -0.00988 -0.01364 0.02077 -0.08030 103 2PZ 0.02886 -0.04162 -0.03388 -0.11676 0.01179 104 3S 0.51213 -0.94975 0.03858 0.36219 -0.26486 105 3PX 0.04600 -0.00873 0.12880 0.12197 0.43620 106 3PY -0.08423 -0.04688 0.08306 0.05991 0.08226 107 3PZ 0.01544 -0.04585 0.02294 0.22666 -0.34979 108 4XX -0.04878 0.06921 0.02250 -0.04845 0.02633 109 4YY -0.00765 0.02344 -0.00620 -0.03445 0.00288 110 4ZZ -0.06074 0.09555 0.00482 -0.02378 0.01721 111 4XY -0.02458 -0.00652 0.00455 -0.01169 0.02003 112 4XZ -0.03135 0.04123 0.01053 -0.03141 0.00994 113 4YZ 0.02474 -0.01707 -0.00529 0.00173 -0.02675 114 12 O 1S -0.00467 -0.00573 -0.00588 -0.00150 -0.00365 115 2S -0.11413 -0.18849 -0.00305 -0.12774 -0.06035 116 2PX -0.07955 0.04308 -0.03016 -0.23369 -0.05003 117 2PY -0.06562 -0.00259 0.00043 -0.00353 -0.08714 118 2PZ 0.04362 0.04356 -0.03044 -0.11733 -0.04498 119 3S 0.56465 0.89282 0.18994 0.32060 0.36903 120 3PX 0.04975 -0.01171 0.08420 0.19197 -0.39730 121 3PY 0.06330 -0.05545 -0.07593 -0.06549 0.10720 122 3PZ 0.01067 0.04134 0.05158 0.16201 0.39975 123 4XX -0.04834 -0.06840 0.00916 -0.04356 -0.03540 124 4YY -0.01088 -0.02217 -0.01123 -0.03442 -0.01365 125 4ZZ -0.06596 -0.08806 -0.00937 -0.02138 -0.02926 126 4XY 0.02775 -0.00415 -0.00631 0.00759 0.02291 127 4XZ -0.03548 -0.04078 0.00391 -0.02822 -0.01909 128 4YZ -0.02391 -0.01257 0.00162 0.00582 -0.02501 129 13 C 1S 0.01144 0.00095 -0.02362 -0.00935 -0.00027 130 2S -0.34541 -0.01698 0.27172 0.48036 0.03146 131 2PX -0.37396 -0.00082 0.19336 0.24412 0.01574 132 2PY 0.00981 -0.09584 -0.00945 -0.02055 0.14289 133 2PZ 0.04037 0.01262 -0.20766 -0.22501 -0.00649 134 3S 1.32736 -0.01012 -0.46592 -1.47581 -0.09063 135 3PX 0.78881 0.01193 -0.13784 -0.42968 -0.06904 136 3PY -0.00774 0.69272 0.02149 0.08523 -0.69079 137 3PZ -0.13685 -0.03772 0.53374 -0.16189 -0.03975 138 4XX -0.01659 0.00423 -0.05480 0.12934 0.01104 139 4YY -0.03805 -0.00624 0.09043 0.02440 0.00235 140 4ZZ 0.03100 -0.00140 -0.00647 -0.10567 -0.01015 141 4XY -0.00071 -0.00454 0.00678 -0.00232 -0.03274 142 4XZ -0.00561 0.00047 0.02791 -0.00363 -0.00112 143 4YZ -0.00003 0.01636 -0.00131 0.00592 -0.04447 144 14 H 1S 0.14232 0.02207 -0.37889 -0.00722 0.01694 145 2S -0.74643 -0.01012 0.44577 0.34732 0.01254 146 15 H 1S 0.25058 0.00230 -0.21933 -0.61951 -0.04269 147 2S -0.64903 -0.02425 0.62081 0.93669 0.05599 148 16 C 1S 0.00035 -0.02004 0.00105 0.00067 0.00739 149 2S 0.32019 -0.31778 0.31057 -0.20549 0.35113 150 2PX 0.02636 -0.10184 0.20122 -0.10669 0.04812 151 2PY -0.17836 0.05473 -0.50188 0.05214 -0.01506 152 2PZ -0.13540 0.15949 -0.02821 -0.04731 0.01079 153 3S -0.67509 1.27833 -1.06673 0.80497 -1.33871 154 3PX -0.20888 0.17003 -0.42045 0.34374 -0.22994 155 3PY 0.11407 -0.08583 0.64568 0.05649 0.31751 156 3PZ 0.30109 -0.32035 0.12822 0.37229 -0.23898 157 4XX 0.02584 0.01077 0.07706 -0.05568 0.01092 158 4YY -0.01788 -0.05818 -0.08053 0.04188 0.05993 159 4ZZ 0.04635 -0.00717 0.04488 -0.00713 -0.04178 160 4XY 0.03283 0.00276 0.02882 -0.04323 -0.02025 161 4XZ 0.03158 0.00042 -0.00770 -0.00792 -0.01818 162 4YZ -0.01050 -0.02708 -0.02963 -0.03541 0.03694 163 17 H 1S -0.23776 -0.02075 -0.41034 0.21881 0.18429 164 2S 0.50375 -0.19267 1.13821 -0.35860 0.19947 165 18 C 1S -0.00505 0.00148 -0.00394 -0.00061 0.00416 166 2S 0.24378 -0.65809 0.07341 0.32797 0.06216 167 2PX -0.15307 -0.15100 0.00676 -0.16777 -0.13339 168 2PY -0.15216 -0.33997 -0.19024 -0.11196 0.05583 169 2PZ 0.11331 -0.15680 0.13008 0.12913 0.08833 170 3S -0.62551 2.67521 -0.37045 -0.95443 -0.50731 171 3PX 0.28411 0.21010 0.07798 0.10902 0.48358 172 3PY 0.48012 1.51930 0.36923 0.38893 -0.83240 173 3PZ -0.32082 0.74526 -0.18820 -0.09957 -0.45895 174 4XX 0.02249 -0.04499 0.02910 0.00399 -0.01853 175 4YY 0.02373 0.03667 -0.00533 0.02366 -0.01194 176 4ZZ -0.02028 -0.05669 -0.01658 0.00606 0.03514 177 4XY -0.02321 -0.00401 0.00300 -0.03380 -0.00061 178 4XZ -0.00684 0.02468 0.02326 0.00652 0.01118 179 4YZ 0.01160 0.02321 0.03247 -0.00809 -0.01967 180 19 H 1S -0.03018 -0.10701 -0.04983 -0.07967 -0.00049 181 2S 0.58834 -0.18831 0.41395 0.49810 0.02781 182 20 C 1S 0.00212 0.01977 0.00328 0.00192 -0.00764 183 2S 0.34336 0.25832 0.30419 -0.13268 -0.43743 184 2PX 0.04535 0.07040 0.23547 -0.09149 -0.07499 185 2PY 0.18365 -0.00889 0.48002 -0.04325 -0.06325 186 2PZ -0.14782 -0.13999 -0.04519 -0.04232 -0.02076 187 3S -0.78482 -1.10635 -1.08949 0.53551 1.63041 188 3PX -0.20836 -0.09258 -0.44750 0.25962 0.32109 189 3PY -0.12492 -0.02607 -0.60263 -0.10814 0.37185 190 3PZ 0.31709 0.27089 0.17441 0.31212 0.31892 191 4XX 0.02160 -0.02003 0.07171 -0.04455 -0.02530 192 4YY -0.00856 0.06879 -0.07255 0.04357 -0.04995 193 4ZZ 0.04454 -0.00313 0.04555 -0.01308 0.03566 194 4XY -0.03322 0.01813 -0.03914 0.05133 -0.00946 195 4XZ 0.02961 -0.00445 -0.00254 -0.00830 0.01894 196 4YZ 0.00612 -0.03158 0.02837 0.02858 0.03962 197 21 H 1S -0.22923 0.08824 -0.39887 0.23694 -0.12864 198 2S 0.51777 0.03770 1.11317 -0.30368 -0.37052 199 22 C 1S -0.00523 -0.00104 -0.00436 -0.00010 -0.00290 200 2S 0.29584 0.61098 0.13362 0.31391 0.01759 201 2PX -0.12763 0.12814 0.03871 -0.18050 0.11049 202 2PY 0.13082 -0.37877 0.14918 0.11698 0.06168 203 2PZ 0.12663 0.13387 0.13921 0.14027 -0.08248 204 3S -0.84770 -2.53238 -0.62647 -0.93965 0.28138 205 3PX 0.23930 -0.11564 0.01637 0.17955 -0.53020 206 3PY -0.34948 1.60639 -0.23697 -0.28968 -0.87621 207 3PZ -0.39103 -0.69110 -0.24773 -0.17249 0.46862 208 4XX 0.02869 0.03905 0.03377 0.00448 0.01537 209 4YY 0.01726 -0.03884 -0.00830 0.01678 0.01878 210 4ZZ -0.01482 0.06009 -0.01295 0.01084 -0.02927 211 4XY 0.02166 -0.01377 -0.00750 0.03472 0.00652 212 4XZ -0.00762 -0.02461 0.01862 0.00906 -0.00980 213 4YZ -0.00883 0.02910 -0.03083 0.00996 -0.01022 214 23 H 1S -0.02061 0.11203 -0.03350 -0.07982 0.00336 215 2S 0.59901 0.08629 0.42362 0.49145 0.03947 116 117 118 119 120 V V V V V Eigenvalues -- 0.97632 0.99471 1.03201 1.03729 1.05664 1 1 C 1S 0.00721 0.01230 -0.00679 0.00669 0.01864 2 2S 0.02313 0.17704 0.24871 0.12970 0.52177 3 2PX -0.17315 0.01708 0.05540 -0.12716 -0.02072 4 2PY -0.06985 -0.01578 0.18732 -0.16019 0.00686 5 2PZ 0.10486 -0.06271 -0.06257 0.08804 -0.05984 6 3S -1.07732 -0.77558 0.35912 -1.02578 -1.15642 7 3PX 0.76393 -0.14744 0.45935 0.25818 0.35339 8 3PY -0.94555 0.08672 -0.82616 0.91449 0.05079 9 3PZ -0.62451 0.29460 -0.65723 -0.14680 0.13855 10 4XX 0.00900 -0.03340 0.04954 0.01794 0.01378 11 4YY -0.01128 0.02364 -0.00367 -0.00935 0.02137 12 4ZZ -0.00248 0.04181 0.00549 0.01749 0.05653 13 4XY 0.03036 0.04368 -0.01581 0.01118 0.01760 14 4XZ 0.00596 -0.03976 -0.04332 0.01293 -0.06398 15 4YZ -0.01666 0.00215 0.02264 -0.05682 -0.00405 16 2 C 1S 0.01149 -0.00608 -0.00781 -0.02833 -0.01003 17 2S -0.02145 -0.10141 -0.00623 -0.58454 -0.26080 18 2PX -0.04522 0.14252 -0.24949 -0.04868 -0.01166 19 2PY -0.26328 -0.05319 0.19140 0.00242 -0.05317 20 2PZ -0.00134 -0.02804 -0.00490 0.00334 0.08590 21 3S -0.86994 0.18834 -0.02365 2.08591 0.41649 22 3PX 0.29086 -0.72241 1.66576 -0.14516 -0.17397 23 3PY 0.60833 0.19293 -1.09504 -0.57768 -0.21623 24 3PZ -0.11933 0.03104 -0.68087 0.06195 -0.47531 25 4XX -0.02356 0.03574 0.03012 -0.03242 0.03372 26 4YY 0.05377 -0.01513 -0.05666 -0.07860 -0.02520 27 4ZZ -0.04271 -0.03260 0.02417 0.04587 -0.03646 28 4XY 0.00362 -0.02406 -0.01533 0.03809 -0.06768 29 4XZ 0.06498 0.01595 -0.03076 0.01395 0.04776 30 4YZ 0.01325 0.02377 -0.00264 -0.02240 0.07037 31 3 C 1S 0.01593 -0.00304 -0.00598 0.00835 -0.00721 32 2S -0.14983 -0.05015 0.00013 0.53472 -0.20464 33 2PX 0.09084 0.01697 -0.15783 -0.04926 -0.11948 34 2PY -0.02231 -0.07999 0.01603 -0.16777 0.06054 35 2PZ -0.11487 -0.29348 0.13204 0.04700 -0.12481 36 3S -0.66653 0.00212 0.81110 -1.28151 0.40841 37 3PX -0.53728 -0.09063 0.61389 0.20561 0.09634 38 3PY -0.61898 0.11681 1.73999 0.52546 0.23220 39 3PZ 0.41785 0.63223 -0.56352 0.04563 0.78207 40 4XX -0.05527 0.02366 -0.04324 0.00545 -0.06164 41 4YY -0.02194 -0.00959 0.02073 0.04273 -0.01070 42 4ZZ 0.05841 -0.01673 0.03020 0.01034 0.04142 43 4XY -0.02293 -0.02215 0.02630 0.02651 -0.02532 44 4XZ 0.00871 0.01977 -0.01384 -0.02260 0.02481 45 4YZ 0.03396 -0.04567 0.01206 0.05316 -0.00069 46 4 C 1S -0.01573 -0.00486 0.00689 0.00820 0.00546 47 2S 0.12388 -0.06209 0.04958 0.57803 0.13658 48 2PX -0.09222 0.02276 0.15752 -0.04290 0.13277 49 2PY -0.02784 0.06180 0.02350 0.18257 0.04242 50 2PZ 0.13581 -0.28473 -0.13583 0.06838 0.11234 51 3S 0.70694 0.19309 -0.95740 -1.35808 -0.28256 52 3PX 0.50641 -0.20618 -0.49772 0.30765 -0.10624 53 3PY -0.63135 -0.01807 1.70770 -0.77956 0.27128 54 3PZ -0.46434 0.71101 0.55115 -0.13974 -0.76127 55 4XX 0.04595 0.02611 0.04750 0.00600 0.05050 56 4YY 0.02337 -0.01032 -0.02100 0.04859 0.00877 57 4ZZ -0.05440 -0.01733 -0.02799 0.00718 -0.03783 58 4XY -0.02746 0.01671 0.01610 -0.02697 -0.02836 59 4XZ -0.00711 0.01994 0.01376 -0.02945 -0.02286 60 4YZ 0.02918 0.04604 0.00890 -0.05257 0.00410 61 5 C 1S -0.01112 -0.00669 0.00665 -0.02797 0.01251 62 2S 0.03152 -0.08664 -0.01710 -0.57408 0.31755 63 2PX 0.01310 0.15703 0.25972 -0.07515 0.00443 64 2PY -0.27207 0.01688 0.18089 -0.01039 -0.05546 65 2PZ 0.00500 -0.04088 0.00945 0.00846 -0.08091 66 3S 0.81053 0.16072 0.13182 2.10523 -0.65825 67 3PX -0.17771 -0.92651 -1.69818 0.17533 0.21291 68 3PY 0.62819 -0.03138 -0.96177 0.60242 -0.26508 69 3PZ 0.09997 0.18787 0.65385 -0.08497 0.42889 70 4XX 0.02098 0.04180 -0.03419 -0.03825 -0.03548 71 4YY -0.05300 -0.02333 0.05532 -0.07536 0.03711 72 4ZZ 0.04447 -0.02961 -0.02166 0.05030 0.03104 73 4XY -0.00330 0.02223 -0.01167 -0.04908 -0.05743 74 4XZ -0.06403 0.01015 0.03052 0.00955 -0.04441 75 4YZ 0.01688 -0.02693 -0.00189 0.02987 0.06697 76 6 C 1S -0.00829 0.01194 0.00670 0.00420 -0.01954 77 2S -0.04312 0.17067 -0.24720 0.10030 -0.54368 78 2PX 0.17016 0.03973 -0.05445 -0.11716 0.03289 79 2PY -0.08704 0.01422 0.19868 0.14948 -0.00920 80 2PZ -0.10325 -0.08381 0.06792 0.09635 0.04735 81 3S 1.17099 -0.60476 -0.37658 -0.92298 1.32332 82 3PX -0.80996 -0.29963 -0.48499 0.28865 -0.36132 83 3PY -0.85167 -0.32306 -0.81786 -0.72786 0.17773 84 3PZ 0.60635 0.42569 0.64448 -0.27573 -0.12518 85 4XX -0.00249 -0.03919 -0.05101 0.01949 -0.01249 86 4YY 0.00564 0.03090 0.00429 -0.01140 -0.02302 87 4ZZ -0.00133 0.04177 -0.00367 0.01213 -0.05834 88 4XY 0.03513 -0.03656 -0.01136 -0.01096 0.01848 89 4XZ -0.00463 -0.04069 0.04731 0.01916 0.06058 90 4YZ -0.01729 -0.00116 0.02228 0.05371 -0.01607 91 7 H 1S 0.07386 0.01646 0.11003 0.14482 0.21869 92 2S 0.31517 -0.11033 0.02534 0.51132 0.16276 93 8 H 1S 0.22316 -0.12104 0.17275 0.05284 0.17736 94 2S -0.11047 0.63867 -0.25273 0.32418 0.14571 95 9 H 1S -0.20542 -0.10804 -0.17682 0.03052 -0.17788 96 2S 0.02951 0.63385 0.30064 0.30611 -0.17635 97 10 H 1S -0.07882 0.00940 -0.10952 0.13764 -0.23525 98 2S -0.32226 -0.15212 0.00611 0.51245 -0.22181 99 11 O 1S -0.00206 -0.00236 0.00802 0.01902 0.00697 100 2S -0.01048 -0.04228 -0.03215 0.18017 0.02863 101 2PX 0.25397 -0.15755 0.20259 -0.24650 0.20926 102 2PY 0.19094 -0.01707 -0.27675 -0.16684 -0.11933 103 2PZ 0.22306 -0.42300 0.34237 -0.06901 -0.37308 104 3S 0.39051 0.12032 -0.41426 -1.10739 -0.31055 105 3PX -0.34879 0.31797 -0.51455 0.33461 -0.28742 106 3PY -0.30654 0.03662 0.40236 0.04550 0.10155 107 3PZ -0.23395 0.52897 -0.36528 0.05155 0.62030 108 4XX -0.02414 0.00382 0.02331 0.06085 0.04371 109 4YY 0.01289 -0.00737 -0.01791 0.04578 0.00702 110 4ZZ -0.04408 -0.02766 0.03892 0.12992 0.01426 111 4XY 0.01350 0.00472 -0.00654 -0.03673 0.03070 112 4XZ -0.01187 0.00946 0.01482 0.06009 0.02683 113 4YZ 0.00112 -0.02168 0.01362 -0.00166 -0.05259 114 12 O 1S 0.00180 -0.00192 -0.00686 0.01888 -0.00884 115 2S 0.00682 -0.04429 0.04789 0.17664 -0.05081 116 2PX -0.23534 -0.16774 -0.22951 -0.25123 -0.19033 117 2PY 0.20490 0.04903 -0.25622 0.18981 -0.11608 118 2PZ -0.19229 -0.43604 -0.34960 -0.01938 0.36962 119 3S -0.37186 0.07844 0.34662 -1.10523 0.42521 120 3PX 0.30771 0.35198 0.54803 0.31686 0.24748 121 3PY -0.33184 -0.09184 0.37351 -0.08129 0.07486 122 3PZ 0.20060 0.52452 0.37480 -0.00065 -0.60237 123 4XX 0.02428 0.00542 -0.02006 0.06388 -0.04632 124 4YY -0.01594 -0.00839 0.02362 0.03989 -0.01526 125 4ZZ 0.04340 -0.02437 -0.03110 0.13063 -0.02799 126 4XY 0.01109 -0.00610 -0.00135 0.04010 0.02893 127 4XZ 0.00964 0.01177 -0.01047 0.05865 -0.03672 128 4YZ -0.00041 0.02288 0.01324 -0.00841 -0.04866 129 13 C 1S 0.00060 -0.02048 -0.00030 0.01074 -0.00041 130 2S 0.01935 -0.38448 -0.02127 0.02476 -0.00949 131 2PX 0.01754 -0.14624 -0.00799 -0.02494 0.00071 132 2PY 0.11737 0.00671 0.02357 -0.00115 -0.09097 133 2PZ -0.00788 0.14777 -0.00032 -0.00806 0.00527 134 3S -0.06982 1.48740 0.06644 -0.53933 0.06952 135 3PX -0.03027 -0.03129 0.02673 0.28898 -0.03426 136 3PY -0.36930 0.00818 0.09874 -0.02026 0.23141 137 3PZ 0.00860 -0.25879 0.03223 0.06433 -0.01374 138 4XX 0.00216 -0.03057 -0.00544 -0.03085 -0.00088 139 4YY 0.00302 -0.01630 -0.00031 -0.00401 0.00520 140 4ZZ -0.00194 -0.01673 0.00256 0.03426 -0.00437 141 4XY -0.00665 0.00057 0.01774 -0.00301 -0.03454 142 4XZ -0.00153 0.04431 0.00213 0.00275 0.00000 143 4YZ -0.03529 -0.00337 0.03026 -0.00275 -0.03477 144 14 H 1S -0.00233 0.03337 -0.00497 -0.00102 0.00658 145 2S 0.02105 -0.28782 -0.02226 -0.08492 0.00943 146 15 H 1S -0.01259 0.07718 0.01715 0.20348 -0.01490 147 2S 0.03553 -0.49351 -0.01739 -0.15038 0.00070 148 16 C 1S 0.00358 -0.00595 0.00229 -0.00279 0.00486 149 2S 0.12657 -0.45640 0.17809 0.38933 -0.10970 150 2PX 0.14120 0.01517 -0.02075 -0.19063 0.10137 151 2PY 0.04453 0.05081 -0.12430 -0.10481 -0.08530 152 2PZ 0.08914 -0.04795 0.04798 -0.03147 -0.02140 153 3S -1.01524 1.17043 -0.64856 -0.54585 -0.44705 154 3PX -0.25942 -0.17333 0.08097 0.26782 0.09658 155 3PY -0.03252 -0.64340 0.43923 0.52796 -0.10806 156 3PZ -0.51881 0.60727 -0.26182 -0.26864 -0.19867 157 4XX 0.04703 -0.00109 0.01551 0.01125 0.05972 158 4YY 0.01217 -0.04604 0.00464 0.00907 -0.04040 159 4ZZ -0.05590 -0.01098 -0.00568 0.00814 -0.04174 160 4XY 0.01231 -0.02908 -0.00923 -0.00764 0.01764 161 4XZ -0.00483 0.00772 -0.02896 -0.04342 0.00503 162 4YZ 0.00541 0.00159 -0.00880 0.02234 0.03193 163 17 H 1S 0.11155 -0.13478 0.04143 0.05760 -0.08998 164 2S 0.07466 -0.46013 0.38390 0.35203 0.08671 165 18 C 1S -0.00458 0.01436 -0.00059 0.00089 -0.00133 166 2S -0.61843 0.28407 -0.06669 0.19624 -0.03507 167 2PX -0.00879 0.04215 -0.05480 -0.09658 0.00140 168 2PY -0.03038 -0.12422 -0.02162 0.01423 0.01246 169 2PZ 0.04562 -0.05066 0.03569 -0.02087 -0.00312 170 3S 1.98925 -1.17277 0.32991 0.06666 0.50872 171 3PX 0.35343 -0.05526 0.25959 0.09543 0.37006 172 3PY 0.14292 0.68598 -0.05972 -0.27434 0.35422 173 3PZ -0.35689 0.23742 -0.30852 -0.01571 -0.78742 174 4XX -0.02147 -0.01537 -0.01322 -0.01920 -0.00761 175 4YY -0.00647 0.02325 0.00042 0.00656 -0.00344 176 4ZZ -0.03444 0.04356 0.00971 0.02672 0.01630 177 4XY 0.00343 -0.00454 0.00708 0.01620 0.01284 178 4XZ 0.04036 0.00229 0.01288 -0.00469 0.00605 179 4YZ 0.00254 -0.06201 0.00773 0.04674 -0.03431 180 19 H 1S -0.06123 0.16647 0.00520 -0.08496 0.28493 181 2S -0.09847 0.16753 0.10200 0.03076 0.25002 182 20 C 1S -0.00312 -0.00516 -0.00259 -0.00400 -0.00450 183 2S -0.09713 -0.44526 -0.15430 0.40523 0.09172 184 2PX -0.13258 0.01084 0.00486 -0.20043 -0.08905 185 2PY 0.06454 -0.04366 -0.12031 0.11039 -0.09273 186 2PZ -0.08826 -0.05018 -0.04816 -0.02849 0.02527 187 3S 0.93691 1.15705 0.59689 -0.51624 0.42105 188 3PX 0.25878 -0.14129 -0.07829 0.25315 -0.11712 189 3PY -0.10189 0.62922 0.46190 -0.52929 0.00378 190 3PZ 0.48444 0.61194 0.23030 -0.26319 0.22668 191 4XX -0.04263 0.00103 -0.01240 0.00434 -0.05562 192 4YY -0.01242 -0.04759 -0.00779 0.01058 0.03460 193 4ZZ 0.05463 -0.00957 0.00556 0.01305 0.03961 194 4XY 0.01593 0.02987 -0.01082 0.00629 0.02465 195 4XZ 0.00094 0.00512 0.02161 -0.04773 -0.00451 196 4YZ 0.00661 -0.00300 -0.01315 -0.01324 0.03342 197 21 H 1S -0.10693 -0.13358 -0.04971 0.05135 0.07389 198 2S -0.02955 -0.44561 -0.37083 0.34515 -0.12462 199 22 C 1S 0.00353 0.01461 0.00098 0.00021 0.00141 200 2S 0.61413 0.34110 0.08397 0.17077 0.01412 201 2PX -0.00152 0.04325 0.05086 -0.09857 0.00394 202 2PY -0.02851 0.11403 -0.02285 -0.00083 0.01816 203 2PZ -0.03508 -0.05041 -0.04176 -0.02105 0.00714 204 3S -1.95641 -1.35428 -0.33046 0.16100 -0.51881 205 3PX -0.32737 -0.08670 -0.25466 0.07960 -0.33538 206 3PY 0.18372 -0.62146 -0.04260 0.23762 0.32063 207 3PZ 0.32807 0.22100 0.30862 0.04960 0.75706 208 4XX 0.02295 -0.01506 0.01081 -0.02152 0.00867 209 4YY 0.00492 0.02172 0.00048 0.00930 -0.00101 210 4ZZ 0.03286 0.05018 -0.00633 0.02257 -0.01430 211 4XY -0.00027 0.00776 0.00057 -0.01217 0.01368 212 4XZ -0.03720 0.00508 -0.01288 -0.00921 -0.00511 213 4YZ -0.00012 0.06319 0.00469 -0.05140 -0.02817 214 23 H 1S 0.04584 0.17541 -0.00528 -0.11655 -0.26189 215 2S 0.12186 0.18343 -0.09958 0.01298 -0.23278 121 122 123 124 125 V V V V V Eigenvalues -- 1.07887 1.09536 1.12215 1.13674 1.19541 1 1 C 1S 0.00350 0.00660 -0.00137 -0.02485 0.01331 2 2S 0.12420 -0.00036 0.14792 -0.27443 0.40534 3 2PX 0.02720 0.08628 0.10878 0.07325 -0.04667 4 2PY 0.00745 -0.10073 0.12397 0.05181 0.06869 5 2PZ 0.07915 -0.04694 -0.08912 -0.04571 0.11788 6 3S -0.79223 0.17826 -0.15239 2.95309 -0.79395 7 3PX -0.03145 -1.33992 -0.35952 0.44059 1.01335 8 3PY 0.38603 1.15113 -0.34774 -1.28560 1.05639 9 3PZ 0.04370 0.91767 0.33033 -0.37051 -0.87231 10 4XX -0.05283 0.00999 -0.05309 -0.03262 0.02669 11 4YY 0.00135 0.02545 0.04588 -0.02449 0.00577 12 4ZZ 0.03042 -0.02856 0.00441 0.03066 0.01926 13 4XY 0.00785 -0.02585 0.01212 -0.07039 0.05410 14 4XZ 0.00399 -0.00543 0.03433 0.04028 -0.07230 15 4YZ 0.01106 0.02132 0.02600 0.08071 -0.02711 16 2 C 1S 0.01878 0.00411 0.00879 0.01899 0.00307 17 2S 0.22053 0.26297 0.18978 0.36385 0.08440 18 2PX 0.19750 0.05519 0.16847 -0.19641 0.19095 19 2PY 0.02037 0.09979 -0.00737 0.05940 -0.07391 20 2PZ 0.08396 -0.07667 -0.07539 0.34094 -0.05662 21 3S 0.00117 0.42751 -0.40478 -0.64811 -1.21993 22 3PX -1.03344 -0.57973 -0.72554 2.35372 -1.45254 23 3PY 0.22901 0.52367 0.04597 -0.69514 -0.65740 24 3PZ 0.26901 1.05617 0.39777 -2.43928 0.84286 25 4XX 0.00366 -0.02837 0.04342 0.00790 0.00981 26 4YY 0.03219 0.04490 0.01271 0.02418 -0.00322 27 4ZZ -0.00270 0.02875 -0.03448 0.00297 -0.02123 28 4XY 0.01891 -0.06941 0.05879 -0.01502 0.00020 29 4XZ -0.02447 -0.06791 -0.00031 -0.02140 0.00160 30 4YZ -0.02320 0.00060 -0.04839 0.04261 -0.00216 31 3 C 1S 0.01181 -0.00044 0.00405 0.02135 -0.00741 32 2S 0.30626 0.02807 -0.11872 0.21668 0.32220 33 2PX -0.09988 0.07446 0.12555 0.01954 0.05128 34 2PY 0.14395 0.11316 -0.10828 -0.11561 0.07177 35 2PZ 0.12415 0.09476 -0.12239 -0.01573 0.05184 36 3S 0.26118 -0.55168 0.30056 -2.43499 0.01339 37 3PX 0.02064 -0.37457 -0.43968 0.30022 -0.92570 38 3PY -0.67648 -1.34219 0.20410 1.36199 -1.20378 39 3PZ -0.20863 -0.75331 0.37922 -0.01723 0.81733 40 4XX 0.05793 0.07151 0.00038 -0.05461 0.01432 41 4YY 0.04461 -0.01560 -0.06682 -0.01695 0.01396 42 4ZZ -0.05756 -0.06635 0.06098 0.08285 -0.00095 43 4XY 0.04606 -0.00296 0.01760 0.07771 0.01231 44 4XZ 0.01363 0.01597 -0.01500 0.01503 -0.04831 45 4YZ -0.02944 -0.02939 -0.00206 0.11065 0.01319 46 4 C 1S 0.01173 -0.00130 0.00338 0.02134 0.00855 47 2S 0.30082 -0.05571 -0.12162 0.23951 -0.32513 48 2PX -0.11757 -0.06966 0.13757 0.02058 -0.06858 49 2PY -0.13282 0.11079 0.10530 0.12198 0.07790 50 2PZ 0.12560 -0.09292 -0.12777 -0.01423 -0.05134 51 3S 0.29770 0.60236 0.38391 -2.47106 -0.03647 52 3PX 0.14302 0.30696 -0.48228 0.26546 0.85132 53 3PY 0.59149 -1.32464 -0.23934 -1.48372 -1.29959 54 3PZ -0.22662 0.74441 0.46395 -0.03740 -0.80691 55 4XX 0.05410 -0.07007 -0.00727 -0.06262 -0.01313 56 4YY 0.05026 0.01667 -0.06382 -0.01124 -0.01905 57 4ZZ -0.06007 0.05951 0.06684 0.08737 0.00669 58 4XY -0.04735 0.01521 -0.02066 -0.07257 0.01377 59 4XZ 0.01505 -0.01786 -0.01629 0.00732 0.05468 60 4YZ 0.02754 -0.02495 0.00300 -0.11103 0.01269 61 5 C 1S 0.01868 -0.00627 0.00843 0.01720 -0.00252 62 2S 0.22188 -0.30409 0.17742 0.32058 -0.06168 63 2PX 0.19451 -0.06367 0.16709 -0.20140 -0.19938 64 2PY -0.03281 0.10506 0.00482 -0.03636 -0.06978 65 2PZ 0.09151 0.06318 -0.07487 0.33804 0.05606 66 3S -0.02008 -0.37028 -0.48758 -0.52499 1.20055 67 3PX -0.98653 0.62416 -0.71626 2.44113 1.43066 68 3PY -0.15894 0.45755 0.05458 0.54535 -0.64610 69 3PZ 0.19923 -1.00647 0.36429 -2.48721 -0.86258 70 4XX 0.00051 0.02014 0.03857 0.00975 -0.00080 71 4YY 0.03401 -0.04077 0.01626 0.01979 0.00472 72 4ZZ -0.00238 -0.02874 -0.03714 0.00235 0.01568 73 4XY -0.01954 -0.06723 -0.06569 0.01256 0.00267 74 4XZ -0.02333 0.06933 0.00829 -0.01958 0.00402 75 4YZ 0.02898 -0.00668 0.04718 -0.03965 0.00183 76 6 C 1S 0.00265 -0.00544 -0.00190 -0.02400 -0.01420 77 2S 0.11744 0.00489 0.14507 -0.23536 -0.42251 78 2PX 0.02373 -0.09678 0.09394 0.06278 0.04118 79 2PY -0.01827 -0.08535 -0.13612 -0.06439 0.07788 80 2PZ 0.08436 0.04825 -0.08602 -0.04254 -0.11105 81 3S -0.79923 -0.24266 -0.14425 2.79954 0.82488 82 3PX 0.00785 1.39381 -0.23945 0.60439 -0.88944 83 3PY -0.28700 1.01493 0.41196 1.30936 1.07588 84 3PZ -0.00543 -0.91869 0.26355 -0.43910 0.82081 85 4XX -0.05430 -0.00741 -0.05483 -0.02324 -0.02390 86 4YY -0.00038 -0.02247 0.04520 -0.03314 -0.01770 87 4ZZ 0.03134 0.02549 0.00623 0.03403 -0.00906 88 4XY -0.00388 -0.02925 -0.00718 0.06716 0.05019 89 4XZ 0.00409 0.00156 0.03309 0.03323 0.07254 90 4YZ -0.01072 0.02470 -0.02658 -0.07967 -0.03545 91 7 H 1S 0.10451 -0.18551 -0.19083 -0.19362 0.48299 92 2S 0.15013 -0.34327 -0.17382 -0.18738 0.70411 93 8 H 1S -0.12237 -0.27707 0.14263 0.29703 0.08133 94 2S -0.07891 -0.24237 0.15231 0.18048 0.18333 95 9 H 1S -0.12372 0.26385 0.16599 0.30383 -0.06605 96 2S -0.08739 0.22818 0.17821 0.19728 -0.18651 97 10 H 1S 0.10611 0.19745 -0.17618 -0.16602 -0.47121 98 2S 0.15809 0.34289 -0.14596 -0.14648 -0.66445 99 11 O 1S -0.00111 -0.00946 0.00022 0.00978 0.00900 100 2S 0.14058 -0.04902 0.04562 0.17613 0.00219 101 2PX -0.17985 0.45818 -0.38465 0.02741 -0.06259 102 2PY 0.19199 0.01141 0.07503 0.04068 -0.11466 103 2PZ -0.18432 -0.05053 0.28752 -0.22520 -0.06129 104 3S -0.16046 0.35738 -0.01324 -0.51122 -0.27444 105 3PX 0.42300 -0.60109 0.69661 -0.44638 0.29323 106 3PY -0.31166 0.04390 -0.13511 -0.13988 0.06595 107 3PZ 0.18789 -0.06954 -0.49584 0.72589 -0.04249 108 4XX 0.00943 -0.01868 0.00347 0.04292 0.01642 109 4YY 0.03799 -0.03565 0.03121 0.06707 0.01758 110 4ZZ 0.01843 -0.03226 -0.01214 0.03568 0.00601 111 4XY -0.01125 0.06938 -0.05272 0.01728 -0.00419 112 4XZ -0.00706 -0.01652 -0.00280 -0.01279 0.01105 113 4YZ 0.00540 -0.00388 0.04745 -0.02719 -0.00449 114 12 O 1S -0.00111 0.00870 0.00100 0.01081 -0.00727 115 2S 0.13705 0.02649 0.04801 0.17893 0.00893 116 2PX -0.22444 -0.41998 -0.41818 0.01370 0.05349 117 2PY -0.18031 0.05351 -0.04578 -0.03100 -0.11148 118 2PZ -0.17777 0.04864 0.29719 -0.21811 0.06283 119 3S -0.15317 -0.30864 -0.03827 -0.54980 0.19665 120 3PX 0.48057 0.54484 0.74654 -0.42304 -0.29113 121 3PY 0.28275 -0.02508 0.08817 0.16375 0.09205 122 3PZ 0.18482 0.06736 -0.50435 0.71889 0.04005 123 4XX 0.00972 0.02315 0.01076 0.04370 -0.01096 124 4YY 0.03582 0.01934 0.02782 0.06907 -0.01329 125 4ZZ 0.01812 0.02808 -0.01003 0.04046 -0.00216 126 4XY 0.01642 0.06477 0.05917 -0.01228 -0.00459 127 4XZ -0.00812 0.01685 -0.00500 -0.00685 -0.00743 128 4YZ -0.00744 -0.00205 -0.04738 0.02704 -0.00523 129 13 C 1S -0.00927 0.00080 -0.00537 0.00869 0.00194 130 2S -0.00084 0.01907 -0.09740 -0.20206 0.02944 131 2PX 0.02382 0.00481 -0.00430 0.01715 0.00229 132 2PY -0.00034 0.05952 0.00236 0.00321 0.04435 133 2PZ -0.11063 0.00359 0.01042 -0.02913 -0.01135 134 3S -0.40186 -0.05099 0.29702 0.21584 -0.19788 135 3PX 0.45873 -0.01574 -0.20018 0.04073 0.06691 136 3PY -0.03085 -0.18003 0.00366 -0.00439 0.08807 137 3PZ 0.10040 -0.04928 0.44174 0.72179 0.03432 138 4XX 0.03557 0.00678 -0.05801 -0.11846 0.00284 139 4YY -0.09942 -0.00229 0.04548 0.08278 -0.00609 140 4ZZ 0.04460 -0.00116 -0.00573 0.01741 0.00549 141 4XY -0.00539 0.00608 0.00396 0.01038 0.05489 142 4XZ -0.11789 -0.00116 0.05517 0.06595 0.00736 143 4YZ 0.00308 -0.01036 -0.00182 0.00178 0.04682 144 14 H 1S -0.16389 0.00844 -0.00822 -0.04613 -0.00496 145 2S -0.05785 0.01159 0.00840 -0.07445 -0.00623 146 15 H 1S -0.06610 -0.00951 0.11599 0.24473 0.02407 147 2S 0.02479 -0.00616 0.16654 0.07387 0.03247 148 16 C 1S -0.00089 -0.01286 -0.00854 -0.00077 -0.00136 149 2S -0.01872 -0.26808 -0.22802 0.14891 0.23936 150 2PX 0.04082 0.06000 -0.00179 -0.01980 -0.10815 151 2PY -0.10697 0.13028 0.10047 0.04534 0.14931 152 2PZ 0.03268 -0.02880 0.07593 0.10604 0.10854 153 3S -0.36776 1.60246 0.45679 -0.65659 0.81790 154 3PX -0.01160 -0.37600 -0.10474 -0.02144 0.23199 155 3PY 0.53841 -0.18791 -0.47207 -0.17166 -0.14808 156 3PZ -0.40206 0.67058 -0.26027 -0.84408 0.01824 157 4XX -0.08323 -0.02357 0.01893 0.07539 -0.06035 158 4YY 0.09526 -0.03995 -0.03865 -0.04323 0.01506 159 4ZZ -0.01032 0.05998 -0.02646 -0.04684 0.07049 160 4XY 0.02404 0.04711 -0.04382 -0.02013 -0.02956 161 4XZ 0.08894 0.03045 -0.05294 -0.11916 -0.07367 162 4YZ 0.01497 -0.01787 -0.00838 0.00638 -0.04668 163 17 H 1S 0.12776 -0.18083 -0.00653 0.01238 -0.08643 164 2S 0.12249 -0.11703 -0.42091 -0.05873 -0.19777 165 18 C 1S -0.02496 0.00244 0.00478 -0.00743 0.00323 166 2S -0.62562 0.14052 -0.02791 -0.23985 -0.03776 167 2PX 0.15187 0.09229 0.08614 0.09477 0.12148 168 2PY 0.09907 -0.03189 0.04314 0.10434 -0.04587 169 2PZ 0.10649 -0.09502 -0.04787 -0.03480 -0.11156 170 3S 1.51057 -0.80527 0.17836 1.16522 -0.16262 171 3PX -0.28238 -0.64924 -0.09929 -0.07354 -0.99572 172 3PY -0.65752 0.32691 -0.07611 -0.54649 -0.57930 173 3PZ -0.11768 1.32388 0.12974 -0.09618 1.76839 174 4XX 0.08152 0.03015 -0.04431 -0.05679 -0.01683 175 4YY -0.04337 0.01347 0.00701 -0.01139 0.00336 176 4ZZ -0.10680 -0.03321 0.04007 0.03646 -0.00218 177 4XY -0.03472 -0.00319 0.00360 0.03645 -0.03794 178 4XZ -0.05179 -0.02015 0.04278 0.06896 0.01447 179 4YZ -0.00511 0.03527 0.00620 0.06347 0.08724 180 19 H 1S -0.21106 -0.18113 0.01838 -0.07813 -0.54356 181 2S -0.40374 -0.28307 -0.16662 -0.28646 -0.71217 182 20 C 1S -0.00030 0.01326 -0.00695 -0.00006 -0.00090 183 2S -0.02135 0.26677 -0.19382 0.17304 -0.29584 184 2PX 0.04260 -0.05250 -0.01357 -0.02820 0.12131 185 2PY 0.11064 0.13655 -0.09517 -0.03971 0.14964 186 2PZ 0.03619 0.01697 0.07825 0.10084 -0.09689 187 3S -0.37546 -1.54260 0.30318 -0.79651 -0.58857 188 3PX -0.01555 0.38787 -0.04395 0.01306 -0.22007 189 3PY -0.57466 -0.24951 0.48550 0.19604 -0.30343 190 3PZ -0.40530 -0.58998 -0.31833 -0.87078 -0.07440 191 4XX -0.08773 0.02607 0.02591 0.08051 0.06036 192 4YY 0.09915 0.03687 -0.03957 -0.04391 -0.01556 193 4ZZ -0.01023 -0.05443 -0.03007 -0.05090 -0.07284 194 4XY -0.00751 0.04651 0.03987 0.00315 -0.02841 195 4XZ 0.08843 -0.02345 -0.05470 -0.11731 0.07151 196 4YZ -0.02173 -0.01409 0.01050 -0.00347 -0.05149 197 21 H 1S 0.14568 0.17617 0.00313 0.01369 0.10629 198 2S 0.12242 0.14210 -0.41806 -0.05322 0.21783 199 22 C 1S -0.02472 -0.00160 0.00435 -0.00812 -0.00142 200 2S -0.62304 -0.10680 -0.04119 -0.26503 0.09501 201 2PX 0.14052 -0.10924 0.07364 0.07623 -0.12238 202 2PY -0.10865 -0.01326 -0.05012 -0.10780 -0.05643 203 2PZ 0.10967 0.09752 -0.04214 -0.03085 0.10082 204 3S 1.47826 0.67787 0.27807 1.33084 0.11925 205 3PX -0.23004 0.68442 -0.03668 0.03049 0.92403 206 3PY 0.70858 0.22900 0.08999 0.48214 -0.53268 207 3PZ -0.13118 -1.31638 0.02927 -0.20298 -1.67212 208 4XX 0.08646 -0.02829 -0.04762 -0.06304 0.00306 209 4YY -0.04755 -0.01179 0.00654 -0.00670 0.01276 210 4ZZ -0.10734 0.03291 0.04295 0.03650 0.00312 211 4XY 0.02384 0.00276 0.00085 -0.03444 -0.02910 212 4XZ -0.05074 0.01936 0.04258 0.06221 -0.00262 213 4YZ 0.00963 0.03749 -0.00729 -0.06581 0.08344 214 23 H 1S -0.21189 0.18878 0.02848 -0.05705 0.50719 215 2S -0.40126 0.32225 -0.14480 -0.25407 0.67045 126 127 128 129 130 V V V V V Eigenvalues -- 1.22189 1.24043 1.24999 1.25450 1.28438 1 1 C 1S 0.00223 0.02251 -0.01268 -0.01558 -0.00575 2 2S 0.08997 0.40139 -0.33674 -0.42620 -0.19687 3 2PX 0.00700 -0.07310 -0.11710 0.02459 -0.04228 4 2PY 0.10440 0.04205 -0.13326 -0.03490 -0.18606 5 2PZ 0.00266 0.07988 0.07828 0.03883 0.03298 6 3S 0.00977 -2.39724 0.64650 2.11152 -0.14982 7 3PX -0.31308 -0.32125 0.62299 0.42212 0.52440 8 3PY -0.49899 0.79925 0.23373 -0.90870 0.94489 9 3PZ 0.27054 0.06201 -0.54257 -0.47983 -0.43155 10 4XX 0.05586 0.04989 -0.03613 0.00923 0.01569 11 4YY 0.02778 -0.00049 -0.06919 0.01451 -0.03428 12 4ZZ -0.08449 -0.03583 0.10545 -0.06731 0.02419 13 4XY -0.12490 0.02019 0.03762 -0.03214 0.03943 14 4XZ 0.04603 -0.00256 0.03085 0.00066 -0.02558 15 4YZ -0.15053 -0.06093 0.01802 0.03792 0.00712 16 2 C 1S -0.01048 -0.01829 0.00773 0.00020 0.02465 17 2S -0.32140 -0.43188 0.25575 -0.04550 0.71939 18 2PX -0.03335 0.15852 -0.06586 -0.19196 0.14254 19 2PY -0.12440 -0.07598 0.08075 0.05961 0.11640 20 2PZ 0.00701 -0.21545 0.00982 0.25597 -0.08129 21 3S 1.43104 2.07989 -0.33865 0.14625 -2.30742 22 3PX 0.52117 -1.07139 0.52518 2.00620 -1.10913 23 3PY 0.92637 1.16602 -0.79688 0.26142 -1.51947 24 3PZ -0.34103 1.40471 -0.34519 -1.99203 0.87997 25 4XX -0.23333 -0.12757 0.04866 -0.02021 0.00297 26 4YY 0.02880 0.01616 0.02642 -0.01853 0.00794 27 4ZZ 0.17738 0.11102 -0.02935 0.03224 0.02844 28 4XY 0.01155 -0.00656 -0.04287 0.01117 -0.01615 29 4XZ -0.00590 -0.01280 0.04205 -0.05493 -0.07591 30 4YZ -0.03548 -0.07187 -0.05687 0.09075 -0.08036 31 3 C 1S 0.02521 0.01364 0.02073 0.00127 0.00743 32 2S 0.30665 0.14152 0.02038 0.31192 0.16896 33 2PX -0.02006 -0.12007 -0.28660 -0.07007 0.12876 34 2PY 0.09541 -0.00081 0.02957 0.10499 -0.13014 35 2PZ -0.12670 0.09320 -0.00812 0.02196 0.03463 36 3S -1.49331 -1.54868 -0.65436 -2.11709 1.05703 37 3PX 0.39472 0.78320 0.40036 1.60888 -1.18858 38 3PY 0.05173 -1.96359 0.10515 0.13231 -0.06987 39 3PZ -0.15828 -1.26026 -0.27553 -0.50993 0.53509 40 4XX 0.17227 0.14762 0.05592 -0.01344 0.08330 41 4YY 0.01401 -0.01201 -0.03324 0.01825 -0.00892 42 4ZZ -0.13390 -0.12983 0.01104 -0.02002 -0.02539 43 4XY 0.04779 0.00264 -0.01278 0.02613 0.15775 44 4XZ 0.04547 0.03591 0.06389 -0.02060 -0.00181 45 4YZ 0.15497 -0.00376 -0.02507 0.03945 0.09826 46 4 C 1S 0.02449 -0.01172 0.01390 -0.01271 0.00673 47 2S 0.24671 -0.09246 -0.16610 -0.28924 0.17736 48 2PX -0.02348 0.13925 -0.19945 0.19724 0.13343 49 2PY -0.07532 -0.01942 0.02840 0.10420 0.11779 50 2PZ -0.11600 -0.09244 -0.01528 0.01003 0.03237 51 3S -1.15288 1.26610 0.92169 2.34844 1.00374 52 3PX 0.27689 -0.79278 -0.66582 -1.60048 -1.08799 53 3PY -0.06268 -1.95296 -0.07480 0.35912 0.01055 54 3PZ -0.20010 1.21324 0.28492 0.54179 0.54119 55 4XX 0.17885 -0.14125 0.04131 -0.02591 0.05821 56 4YY 0.01487 0.01834 -0.03627 -0.00252 0.00531 57 4ZZ -0.13913 0.11853 0.03465 0.02236 -0.01598 58 4XY -0.06060 0.01753 0.01477 0.01182 -0.16208 59 4XZ 0.04106 -0.04125 0.06154 -0.01282 -0.00820 60 4YZ -0.15338 -0.01614 0.04146 0.03995 -0.09968 61 5 C 1S -0.01091 0.01587 0.01112 -0.00266 0.02435 62 2S -0.31909 0.35616 0.36034 -0.04054 0.71787 63 2PX 0.00563 -0.17451 0.04405 0.21521 0.10949 64 2PY 0.12587 -0.04837 -0.06128 0.06025 -0.12930 65 2PZ -0.03128 0.23264 -0.09219 -0.24508 -0.05800 66 3S 1.46467 -1.79638 -0.91089 -0.09684 -2.34055 67 3PX 0.21491 1.30245 -0.57452 -2.13955 -0.79207 68 3PY -0.94298 0.87833 1.14255 0.10852 1.60217 69 3PZ -0.06552 -1.55885 0.64295 2.06386 0.68249 70 4XX -0.23979 0.10384 0.07817 0.01680 0.00496 71 4YY 0.02990 -0.01479 0.02472 0.00092 0.00247 72 4ZZ 0.18467 -0.09612 -0.05959 -0.02934 0.03071 73 4XY 0.00882 -0.01723 0.03950 -0.01179 0.01247 74 4XZ -0.00086 0.00342 0.06221 0.02982 -0.07017 75 4YZ 0.04928 -0.07589 0.08057 0.05461 0.07209 76 6 C 1S 0.00493 -0.02196 -0.00533 0.01995 -0.00761 77 2S 0.16707 -0.36622 -0.10088 0.51209 -0.23752 78 2PX -0.00222 0.09259 -0.09827 0.01624 -0.02852 79 2PY -0.11883 0.00610 0.10651 -0.06743 0.19196 80 2PZ 0.00074 -0.08910 0.04987 -0.06334 0.02987 81 3S -0.35613 2.45752 -0.21903 -2.29575 0.05201 82 3PX -0.34254 0.29252 0.40979 -0.67151 0.51092 83 3PY 0.44302 0.94441 -0.75010 -0.78428 -0.85910 84 3PZ 0.30762 0.00390 -0.31018 0.63725 -0.46961 85 4XX 0.07439 -0.04593 -0.04701 0.00128 0.01427 86 4YY 0.01478 0.00524 -0.06153 0.01717 -0.03022 87 4ZZ -0.08389 0.02431 0.13263 0.01889 0.01924 88 4XY 0.11833 0.04323 -0.05401 -0.02696 -0.03932 89 4XZ 0.05356 0.00261 0.01676 -0.01643 -0.02346 90 4YZ 0.15271 -0.04992 -0.00756 0.02973 -0.00888 91 7 H 1S -0.17323 0.25577 0.09798 -0.10901 0.23353 92 2S -0.17663 0.33749 0.31097 -0.20919 0.36067 93 8 H 1S -0.03250 -0.39895 0.05327 -0.07700 0.12737 94 2S 0.25150 -0.45723 -0.08653 -0.10251 0.25988 95 9 H 1S -0.05136 0.39535 0.14107 0.02999 0.13840 96 2S 0.21898 0.47234 0.02748 0.08762 0.26987 97 10 H 1S -0.15156 -0.29254 0.15213 0.08873 0.21610 98 2S -0.14415 -0.40632 0.39879 0.09063 0.33459 99 11 O 1S 0.00119 -0.00167 0.01184 -0.00776 0.00667 100 2S 0.19015 0.02091 0.07852 -0.09658 -0.07913 101 2PX 0.06330 0.03068 0.07156 0.05138 0.02952 102 2PY 0.12459 0.02740 -0.05865 0.02837 -0.18487 103 2PZ 0.02334 0.03687 -0.02221 -0.22101 0.04027 104 3S -0.15900 0.09867 -0.52370 0.40152 -0.24030 105 3PX -0.16939 0.11253 -0.23570 -0.40016 0.10042 106 3PY -0.26261 -0.08240 -0.02672 0.09754 0.23280 107 3PZ 0.00577 -0.31638 0.05431 0.71848 -0.26780 108 4XX -0.01324 -0.02558 0.04410 -0.02318 -0.00305 109 4YY 0.05722 -0.02161 0.02322 -0.04512 -0.00834 110 4ZZ 0.07411 0.05548 0.02415 -0.01605 -0.01687 111 4XY 0.02212 0.01633 0.03455 0.02542 0.00639 112 4XZ 0.00515 0.01356 0.03000 -0.05850 0.01606 113 4YZ 0.01336 0.03676 0.01485 -0.09354 0.07659 114 12 O 1S 0.00146 0.00059 0.01491 0.00142 0.00633 115 2S 0.19079 -0.00407 0.10506 0.02874 -0.09043 116 2PX 0.04011 -0.03022 0.02404 -0.07407 0.04300 117 2PY -0.12339 0.00300 0.08047 0.01947 0.18472 118 2PZ 0.06191 -0.04212 0.07971 0.20675 0.03034 119 3S -0.17459 -0.06800 -0.67994 -0.10831 -0.21759 120 3PX -0.08655 -0.13997 0.03693 0.47906 0.04988 121 3PY 0.27078 -0.04070 0.04132 0.01260 -0.25012 122 3PZ -0.10752 0.35237 -0.27904 -0.68770 -0.21314 123 4XX -0.01759 0.02416 0.05141 0.00611 -0.00597 124 4YY 0.05935 0.02293 0.04651 0.01738 -0.01128 125 4ZZ 0.07757 -0.04909 0.01939 -0.00283 -0.01828 126 4XY -0.01310 0.01473 -0.01408 0.04243 -0.00686 127 4XZ 0.00859 -0.01433 0.04592 0.03401 0.00922 128 4YZ -0.02715 0.04158 -0.05701 -0.08124 -0.06656 129 13 C 1S -0.04620 0.00030 0.01018 -0.00085 -0.08008 130 2S -0.73417 0.00298 0.16424 -0.00678 -1.14055 131 2PX -0.01458 0.00174 0.04877 -0.00773 0.14544 132 2PY 0.00704 0.11696 0.03217 0.13340 -0.00305 133 2PZ -0.12695 0.01084 -0.25548 0.07180 0.06553 134 3S 1.75050 0.08087 -2.36395 0.55032 3.99012 135 3PX 0.29526 -0.07121 1.13624 -0.32477 -1.15492 136 3PY -0.02169 -0.90881 -0.20835 -0.39167 0.03618 137 3PZ 0.21110 -0.03933 0.78031 -0.18738 0.16046 138 4XX -0.07516 -0.00425 -0.02602 0.01009 -0.07543 139 4YY -0.03889 0.00809 -0.08567 0.02262 0.02620 140 4ZZ -0.02405 -0.00197 0.09245 -0.02186 -0.11178 141 4XY 0.00585 -0.08493 -0.00104 0.02463 0.00064 142 4XZ -0.00178 -0.00978 0.05484 -0.01331 0.00060 143 4YZ 0.00367 -0.07643 0.00020 0.03931 -0.00098 144 14 H 1S -0.19345 0.01032 -0.22057 0.06219 -0.13830 145 2S -0.43344 0.01116 -0.24298 0.08223 0.00111 146 15 H 1S -0.10380 -0.01065 0.30996 -0.07247 -0.35351 147 2S -0.22487 -0.02990 0.52060 -0.11264 -0.24579 148 16 C 1S -0.00636 0.00497 -0.01734 0.02889 -0.00947 149 2S -0.31370 0.01657 -0.58956 0.64631 -0.12350 150 2PX 0.06852 0.01335 0.11598 -0.11966 0.01334 151 2PY -0.04264 -0.15900 -0.19418 -0.11285 -0.02198 152 2PZ -0.03019 -0.13958 0.10321 -0.01753 0.02118 153 3S 0.75398 -0.51969 1.84844 -1.85324 -0.72829 154 3PX -0.48325 -0.54889 -0.17015 0.24674 -0.66240 155 3PY 0.27583 1.18914 1.75949 0.94482 -1.10023 156 3PZ 0.55399 1.04482 -0.18962 0.40631 0.18699 157 4XX 0.01173 -0.04206 -0.00314 -0.05436 -0.08014 158 4YY -0.01379 0.07336 0.02555 0.11569 -0.01097 159 4ZZ -0.01797 -0.01046 -0.04375 0.00044 0.02932 160 4XY 0.00883 0.04421 -0.08333 -0.03129 0.01975 161 4XZ 0.00254 0.15231 0.04407 -0.01301 -0.01537 162 4YZ 0.01578 0.04626 0.01063 -0.02363 -0.01554 163 17 H 1S 0.06560 0.38145 0.21544 0.39457 -0.15104 164 2S 0.06821 0.62971 0.38439 0.60174 -0.30636 165 18 C 1S 0.02092 0.00010 0.01846 -0.01350 -0.00362 166 2S 0.34533 0.00520 0.46045 -0.40947 -0.20664 167 2PX -0.03351 -0.08624 0.02735 0.02537 -0.01708 168 2PY -0.00427 -0.06345 0.11773 -0.04879 -0.08397 169 2PZ -0.02277 0.06880 -0.03204 0.06133 0.06769 170 3S -1.13055 -1.14699 -0.78338 -0.08010 0.02756 171 3PX -0.14373 0.15003 -0.33628 -0.36075 0.10413 172 3PY 0.01145 -0.02617 -0.97889 -0.84933 0.41668 173 3PZ 0.58187 -0.09227 0.94055 0.13298 -0.26586 174 4XX 0.00139 0.07641 -0.09668 0.04433 0.03531 175 4YY 0.04200 -0.01310 0.11511 -0.04968 -0.01535 176 4ZZ 0.00634 -0.06975 0.00712 -0.04485 -0.02991 177 4XY 0.14300 0.02803 -0.05176 -0.00450 0.07468 178 4XZ -0.02738 -0.04572 0.03619 0.01775 -0.08795 179 4YZ 0.02642 -0.03678 -0.01144 0.02161 -0.00947 180 19 H 1S -0.08770 0.09227 -0.34275 -0.21135 0.07438 181 2S -0.04932 0.17592 -0.39975 -0.28008 0.13197 182 20 C 1S -0.00879 -0.00268 -0.02844 -0.01660 -0.00735 183 2S -0.37993 0.04560 -0.79900 -0.26414 -0.09503 184 2PX 0.08709 -0.03064 0.15807 0.03728 0.01256 185 2PY 0.03749 -0.16602 0.07864 -0.19056 0.02419 186 2PZ -0.03321 0.12795 0.13485 -0.03666 0.02354 187 3S 0.86033 0.32472 2.63559 0.60282 -0.86088 188 3PX -0.53940 0.63901 -0.25009 -0.02344 -0.53715 189 3PY -0.19024 1.25774 -1.02095 1.73762 1.16556 190 3PZ 0.55297 -1.02091 -0.46530 -0.30707 0.16034 191 4XX 0.01600 0.04991 0.03272 0.03673 -0.07953 192 4YY -0.02209 -0.07166 -0.04525 -0.10245 -0.00754 193 4ZZ -0.02090 0.00802 -0.03318 0.02114 0.02757 194 4XY -0.01872 0.02969 0.06623 -0.08188 -0.01601 195 4XZ 0.01236 -0.15225 0.02173 -0.00663 -0.02038 196 4YZ -0.02183 0.05812 -0.01173 -0.01272 0.01571 197 21 H 1S 0.04835 -0.39553 -0.02233 -0.46105 -0.14687 198 2S 0.04101 -0.64098 -0.00945 -0.72715 -0.31164 199 22 C 1S 0.02073 -0.00257 0.02210 0.00025 -0.00480 200 2S 0.35408 -0.06725 0.57028 0.10546 -0.22884 201 2PX -0.03922 0.07973 0.03451 -0.03908 -0.01255 202 2PY 0.00890 -0.05335 -0.13082 0.02398 0.08512 203 2PZ -0.02049 -0.05911 -0.07318 -0.03004 0.06886 204 3S -1.10313 1.22537 -0.63480 0.55691 0.17511 205 3PX -0.09593 -0.12419 -0.25463 0.45301 0.09574 206 3PY -0.12199 -0.10349 0.64244 -1.31626 -0.45560 207 3PZ 0.49439 -0.00720 1.00435 -0.71122 -0.32923 208 4XX -0.01367 -0.06426 -0.10467 0.00811 0.02289 209 4YY 0.06158 -0.00325 0.11412 -0.01350 -0.00611 210 4ZZ 0.00383 0.07116 0.03229 0.03244 -0.02853 211 4XY -0.13986 0.01371 0.07163 -0.02332 -0.07887 212 4XZ -0.03265 0.04355 0.03551 -0.03211 -0.08521 213 4YZ -0.01827 -0.04224 0.00456 0.02212 0.01563 214 23 H 1S -0.04704 -0.06351 -0.28220 0.38346 0.07677 215 2S 0.00547 -0.13835 -0.35318 0.49183 0.14447 131 132 133 134 135 V V V V V Eigenvalues -- 1.36950 1.38758 1.40410 1.42778 1.43664 1 1 C 1S 0.00460 -0.02815 0.00435 0.00720 -0.00281 2 2S 0.03477 -0.71897 0.06366 -0.05538 0.02725 3 2PX -0.04683 -0.15248 -0.01439 -0.06545 0.11355 4 2PY 0.07003 -0.09452 0.05749 -0.07986 0.04229 5 2PZ 0.02707 0.06047 -0.08243 0.08602 0.01398 6 3S -0.21224 3.11559 0.02632 -1.05607 0.60029 7 3PX -0.15326 1.48443 -0.35674 0.03981 -0.21995 8 3PY -0.13445 0.31329 -0.34503 0.78860 -0.52045 9 3PZ 0.03765 -1.43050 0.26685 0.02009 0.07861 10 4XX -0.18092 0.04305 0.06651 -0.02920 -0.25575 11 4YY -0.02382 -0.00959 0.03517 0.02365 0.04889 12 4ZZ 0.20931 -0.06061 -0.11290 -0.00485 0.18560 13 4XY 0.11845 0.02101 0.19608 -0.03058 -0.12893 14 4XZ -0.00173 0.07900 -0.07612 -0.09481 -0.09250 15 4YZ 0.11317 -0.05757 0.26555 -0.08474 -0.09625 16 2 C 1S -0.01050 -0.01163 -0.00764 0.00310 -0.00764 17 2S -0.28760 -0.40059 -0.22097 0.04377 -0.11286 18 2PX -0.09747 -0.20471 -0.03803 0.12544 -0.08006 19 2PY -0.03801 -0.16030 -0.08063 -0.01166 -0.00620 20 2PZ -0.06161 -0.07817 0.00067 -0.03573 -0.01269 21 3S 1.18610 0.18411 -0.34720 -0.87852 -0.15001 22 3PX 0.41042 1.83594 0.08575 -1.41929 0.76294 23 3PY 0.31758 -0.29083 0.90114 0.38922 0.60740 24 3PZ 0.21011 -0.85513 0.06949 0.98057 -0.44061 25 4XX 0.11667 -0.09999 0.04384 -0.04947 -0.04604 26 4YY 0.03435 0.01130 0.00184 -0.02531 0.01276 27 4ZZ -0.17018 0.07294 -0.07036 0.03557 0.02268 28 4XY -0.14299 0.01388 -0.04860 0.00216 -0.18280 29 4XZ 0.06762 0.11361 -0.05960 -0.15605 -0.08558 30 4YZ -0.13801 -0.02402 0.01664 -0.03683 -0.19370 31 3 C 1S 0.01781 0.00729 -0.02591 -0.03802 -0.00250 32 2S 0.37296 0.60933 -0.43976 -0.52185 -0.03436 33 2PX 0.10380 0.09324 0.00056 -0.12689 0.02434 34 2PY 0.12069 -0.06381 -0.03160 0.10047 -0.10082 35 2PZ 0.04539 0.06218 -0.14206 0.10059 -0.04944 36 3S -0.75189 -2.09935 0.57642 2.40694 -0.72183 37 3PX -0.05607 0.43355 0.19254 0.09662 0.31217 38 3PY -0.22475 0.57333 -0.24973 -1.09262 0.45353 39 3PZ -0.30286 -0.36665 0.16524 -0.01859 -0.03827 40 4XX -0.03453 -0.00656 0.05560 0.00873 0.09664 41 4YY 0.08570 0.01626 -0.01748 0.01781 -0.00450 42 4ZZ -0.03562 -0.00678 -0.07587 -0.11874 -0.10354 43 4XY -0.03505 -0.05050 0.01513 0.11591 -0.02578 44 4XZ 0.02310 -0.06025 -0.02782 -0.02393 -0.06002 45 4YZ -0.03483 0.05284 0.07526 -0.07200 0.09552 46 4 C 1S 0.01735 -0.00699 -0.02441 -0.03700 -0.00243 47 2S 0.36773 -0.57901 -0.41367 -0.51607 -0.05347 48 2PX 0.09537 -0.06707 0.00460 -0.13552 0.02152 49 2PY -0.12831 -0.03695 0.03742 -0.09292 0.09751 50 2PZ 0.05086 -0.06998 -0.14073 0.10325 -0.04964 51 3S -0.72718 1.95717 0.53306 2.44353 -0.72974 52 3PX -0.02946 -0.42013 0.19025 0.18173 0.30398 53 3PY 0.29003 0.48827 0.10230 1.05270 -0.50556 54 3PZ -0.33601 0.40907 0.15245 -0.01487 -0.04899 55 4XX -0.02648 -0.00885 0.04891 -0.00481 0.11436 56 4YY 0.08248 -0.01192 -0.01704 0.02946 -0.00846 57 4ZZ -0.04008 0.01895 -0.06781 -0.11600 -0.11855 58 4XY 0.04066 -0.04175 -0.01479 -0.11772 0.02176 59 4XZ 0.02505 0.05253 -0.03623 -0.02520 -0.06254 60 4YZ 0.03205 0.04412 -0.07024 0.07450 -0.09199 61 5 C 1S -0.00989 0.01124 -0.00731 0.00406 -0.00821 62 2S -0.27888 0.40879 -0.20601 0.08327 -0.12201 63 2PX -0.08434 0.18539 -0.03961 0.14135 -0.09158 64 2PY 0.04005 -0.17199 0.08066 -0.00999 0.01259 65 2PZ -0.06493 0.08809 0.00597 -0.01653 -0.01478 66 3S 1.20646 -0.23289 -0.36350 -0.86670 -0.12213 67 3PX 0.30751 -1.72369 0.14457 -1.49276 0.78196 68 3PY -0.36701 -0.13565 -0.83766 -0.26858 -0.66903 69 3PZ 0.26681 0.75114 -0.01941 0.94804 -0.46710 70 4XX 0.13063 0.10438 0.05616 -0.05823 -0.01580 71 4YY 0.01899 -0.01213 -0.00103 -0.02643 -0.00337 72 4ZZ -0.16617 -0.07635 -0.07961 0.04548 0.00780 73 4XY 0.13285 -0.00151 0.04779 -0.02280 0.22408 74 4XZ 0.07019 -0.11419 -0.05647 -0.16658 -0.06972 75 4YZ 0.13159 -0.03056 -0.01005 0.02289 0.24025 76 6 C 1S 0.00547 0.02713 0.00341 0.00855 -0.00283 77 2S 0.05674 0.71366 0.05153 -0.00444 0.02160 78 2PX -0.04924 0.15373 -0.01607 -0.05044 0.11540 79 2PY -0.07047 -0.10834 -0.05845 0.07264 -0.04724 80 2PZ 0.02477 -0.07043 -0.08173 0.07506 0.02162 81 3S -0.30602 -2.96568 0.11460 -1.22483 0.59813 82 3PX -0.18790 -1.45048 -0.27854 -0.08126 -0.18493 83 3PY 0.11368 0.49080 0.43966 -0.70774 0.57907 84 3PZ 0.07769 1.42304 0.21986 0.10037 0.06881 85 4XX -0.19016 -0.03341 0.03905 -0.00961 -0.26912 86 4YY -0.01160 0.00781 0.05368 0.02189 0.03349 87 4ZZ 0.20731 0.05259 -0.10421 -0.02119 0.21394 88 4XY -0.10567 0.02488 -0.19732 0.03821 0.14924 89 4XZ -0.00930 -0.08176 -0.09200 -0.09195 -0.09139 90 4YZ -0.11219 -0.05957 -0.26206 0.08665 0.10213 91 7 H 1S -0.05107 0.18358 -0.12032 0.13229 -0.09401 92 2S -0.01550 0.41812 -0.26321 0.18782 -0.24881 93 8 H 1S -0.00353 0.02973 -0.15925 -0.18898 0.00377 94 2S 0.01730 0.24105 0.02518 -0.46624 0.11938 95 9 H 1S -0.01770 -0.01390 -0.14608 -0.18371 0.01186 96 2S -0.00767 -0.18942 0.04427 -0.47984 0.11626 97 10 H 1S -0.04888 -0.19756 -0.12423 0.11888 -0.09996 98 2S -0.01876 -0.44305 -0.26459 0.15444 -0.25503 99 11 O 1S 0.00963 0.00770 -0.02292 -0.01647 -0.02116 100 2S 0.25568 0.05704 -0.33845 -0.24635 -0.34604 101 2PX 0.01247 0.13379 -0.03446 -0.00650 -0.03563 102 2PY 0.11579 -0.03770 -0.04113 -0.02377 -0.04972 103 2PZ 0.00687 -0.00082 -0.00695 -0.05040 -0.01499 104 3S -0.57937 -0.30351 1.25475 0.86490 1.12856 105 3PX -0.17143 -0.53146 0.03816 0.25832 -0.11681 106 3PY -0.29343 -0.02461 0.33717 0.24956 0.36140 107 3PZ -0.12614 0.12040 0.01409 -0.08580 0.00554 108 4XX 0.09869 -0.00046 -0.04413 -0.06732 -0.05559 109 4YY 0.05666 0.01209 -0.11480 -0.07324 -0.14862 110 4ZZ 0.03214 0.05618 -0.11663 -0.05446 -0.06464 111 4XY 0.08056 0.07438 0.03430 -0.02662 0.13224 112 4XZ 0.03130 0.06919 -0.08325 -0.11881 -0.01310 113 4YZ 0.09273 -0.02142 0.00793 0.04707 0.12044 114 12 O 1S 0.00917 -0.00760 -0.02162 -0.01600 -0.02110 115 2S 0.25123 -0.06825 -0.32367 -0.24163 -0.34566 116 2PX 0.00572 -0.13960 -0.03377 -0.01244 -0.04020 117 2PY -0.11624 -0.01897 0.04467 0.02617 0.05070 118 2PZ 0.00683 0.00472 -0.00479 -0.04999 -0.02124 119 3S -0.55916 0.31133 1.18901 0.83664 1.12887 120 3PX -0.13858 0.51744 0.00170 0.27514 -0.15532 121 3PY 0.29933 -0.07203 -0.32471 -0.25989 -0.35184 122 3PZ -0.13357 -0.10322 0.02039 -0.06972 -0.00202 123 4XX 0.08789 0.00669 -0.04338 -0.06920 -0.06430 124 4YY 0.06400 -0.02301 -0.10560 -0.07344 -0.13622 125 4ZZ 0.03099 -0.05782 -0.11406 -0.04939 -0.06776 126 4XY -0.08023 0.07610 -0.04142 0.04543 -0.16322 127 4XZ 0.02268 -0.06766 -0.07884 -0.12653 -0.01787 128 4YZ -0.09401 -0.00758 -0.00420 -0.02318 -0.14651 129 13 C 1S 0.00094 -0.00035 -0.05479 0.01428 0.01061 130 2S -0.06002 -0.00719 -0.70203 0.16319 0.20270 131 2PX 0.20768 0.00217 -0.06150 -0.17481 -0.15223 132 2PY -0.00509 -0.04989 0.00200 0.00843 0.00166 133 2PZ 0.09538 0.01033 -0.09938 -0.07383 -0.02817 134 3S -0.53299 0.05458 2.05667 -0.04558 -0.13489 135 3PX -0.60138 -0.04277 0.29119 0.27867 0.38103 136 3PY 0.06406 0.00316 -0.05099 -0.00861 -0.04041 137 3PZ -0.95448 -0.02879 0.58821 0.28026 0.28971 138 4XX 0.05603 0.00555 -0.03124 -0.07314 -0.02795 139 4YY -0.01708 -0.00216 -0.04531 0.13721 0.01294 140 4ZZ -0.05942 -0.00275 -0.00324 -0.03750 0.03802 141 4XY -0.00680 0.04155 0.00679 0.01398 0.01104 142 4XZ 0.04246 -0.00247 -0.04469 0.05822 -0.04498 143 4YZ -0.00163 -0.01186 0.01319 0.01114 0.00509 144 14 H 1S 0.19060 0.00470 -0.33906 0.04529 -0.01045 145 2S 0.37160 0.01565 -0.45056 -0.22823 -0.18679 146 15 H 1S -0.14290 -0.00719 -0.07506 0.08083 0.10136 147 2S -0.28668 -0.01960 -0.08819 0.20852 0.04425 148 16 C 1S -0.02247 0.00827 0.03772 0.02116 0.01038 149 2S -0.12742 0.37400 0.43070 0.20494 0.23863 150 2PX -0.06565 -0.16177 -0.04910 0.05343 -0.04175 151 2PY -0.12902 0.08506 -0.05622 0.07895 0.06781 152 2PZ -0.03170 -0.09218 -0.02201 -0.00346 -0.02398 153 3S 0.67355 -0.38662 -1.49417 -0.61263 -0.51170 154 3PX 0.25812 0.14929 -0.09063 0.13877 0.05184 155 3PY 0.48598 -0.80748 0.42880 0.04223 -0.24754 156 3PZ 0.41301 -0.05567 0.20480 0.26374 -0.21694 157 4XX 0.04378 -0.06505 -0.06477 0.17731 -0.01705 158 4YY 0.01185 0.02030 0.01962 -0.03552 -0.00616 159 4ZZ -0.08079 0.05343 0.06840 -0.11880 0.03254 160 4XY -0.07412 0.06216 0.01789 -0.09192 0.05053 161 4XZ -0.08038 -0.07012 0.02872 -0.16691 0.04001 162 4YZ 0.00111 0.03847 0.02146 -0.04278 0.00340 163 17 H 1S -0.06974 -0.23306 0.31256 0.17031 0.00917 164 2S 0.21765 -0.24587 0.36964 0.03735 -0.04235 165 18 C 1S 0.00464 0.02364 0.01294 0.00112 0.00052 166 2S 0.05914 0.60830 0.22434 -0.04138 -0.08637 167 2PX -0.12533 -0.16377 0.00952 0.05521 0.10210 168 2PY -0.06193 -0.01229 0.12926 0.04497 0.02546 169 2PZ 0.09331 -0.04670 -0.14645 -0.00758 -0.01852 170 3S -0.74701 -1.19100 0.19951 -0.00213 0.50032 171 3PX 0.00808 0.56424 -0.15014 -0.12289 0.02177 172 3PY 0.18255 0.06421 -0.62155 -0.18017 0.04729 173 3PZ 0.08879 -0.25717 0.39127 -0.02097 -0.20146 174 4XX 0.02355 -0.06535 0.01948 -0.07621 0.04971 175 4YY -0.05564 0.00807 0.05780 -0.01764 -0.00675 176 4ZZ 0.05361 0.09032 -0.06929 0.10175 -0.01786 177 4XY 0.26987 -0.01022 0.06927 0.17005 -0.20059 178 4XZ 0.04514 -0.07802 -0.10498 0.24940 0.00221 179 4YZ 0.02844 -0.01721 0.12894 0.07649 -0.04253 180 19 H 1S -0.02474 0.16620 -0.12073 0.02763 0.06891 181 2S 0.15360 0.35369 -0.33173 -0.05952 -0.00532 182 20 C 1S -0.02044 -0.00707 0.03529 0.02298 0.00859 183 2S -0.10425 -0.32790 0.41588 0.22637 0.21075 184 2PX -0.04466 0.14560 -0.06181 0.04875 -0.04806 185 2PY 0.13473 0.06768 0.05256 -0.08259 -0.05489 186 2PZ -0.04310 0.08519 -0.01721 -0.00745 -0.01028 187 3S 0.46137 0.26852 -1.37680 -0.79967 -0.31702 188 3PX 0.19780 -0.17165 -0.08083 0.15226 0.06483 189 3PY -0.43165 -0.71399 -0.39917 0.01867 0.08384 190 3PZ 0.41189 0.04278 0.14704 0.17353 -0.18300 191 4XX 0.04679 0.05885 -0.06010 0.19989 -0.00887 192 4YY 0.01244 -0.02419 0.01463 -0.04100 -0.00683 193 4ZZ -0.08423 -0.04130 0.06575 -0.13333 0.02630 194 4XY 0.07106 0.04503 -0.03156 0.05697 -0.04092 195 4XZ -0.07366 0.07807 0.02504 -0.15816 0.03587 196 4YZ 0.01075 0.03108 -0.04112 0.04868 -0.01560 197 21 H 1S -0.06462 0.22640 0.29276 0.17623 0.02374 198 2S 0.22211 0.22917 0.34289 0.02769 0.00161 199 22 C 1S 0.00118 -0.02484 0.01289 -0.00479 0.00426 200 2S -0.00221 -0.63374 0.22546 -0.14729 -0.03423 201 2PX -0.11964 0.15845 -0.00181 0.06212 0.10315 202 2PY 0.06940 -0.01777 -0.12852 -0.05158 -0.02727 203 2PZ 0.09908 0.04562 -0.15089 -0.00460 -0.02037 204 3S -0.42629 1.25160 0.20321 0.49516 0.11285 205 3PX 0.03580 -0.54184 -0.12370 -0.09747 -0.03444 206 3PY -0.32396 0.06992 0.66668 0.07335 0.14400 207 3PZ -0.05853 0.20422 0.43323 -0.15983 -0.03530 208 4XX -0.00873 0.07704 0.01222 -0.09334 0.07195 209 4YY -0.01878 -0.01344 0.06665 0.00509 -0.03557 210 4ZZ 0.04725 -0.09772 -0.07286 0.09226 -0.01020 211 4XY -0.27452 -0.01081 -0.06626 -0.16957 0.19376 212 4XZ 0.04164 0.05857 -0.12042 0.24458 0.01401 213 4YZ -0.02865 -0.02237 -0.12229 -0.09598 0.04110 214 23 H 1S -0.00629 -0.15197 -0.13471 0.02318 0.04485 215 2S 0.19705 -0.33978 -0.35807 -0.05289 -0.06225 136 137 138 139 140 V V V V V Eigenvalues -- 1.43788 1.47512 1.47798 1.49332 1.54873 1 1 C 1S -0.00126 -0.00153 -0.01802 0.00018 0.00870 2 2S -0.11020 0.11707 -0.32726 -0.03429 0.01757 3 2PX 0.01548 0.05867 -0.00698 0.07083 -0.06012 4 2PY -0.02898 0.05985 -0.00269 0.01500 -0.00126 5 2PZ 0.06441 -0.01291 0.06296 0.08667 0.06309 6 3S 0.27096 -0.23579 2.24618 0.20556 -0.79429 7 3PX 0.08380 0.09867 0.90568 -0.00466 -0.04085 8 3PY -0.22379 -1.19108 0.71672 -0.09052 0.53761 9 3PZ -0.13444 -0.11867 -0.76426 -0.02601 0.01240 10 4XX -0.21243 -0.06744 -0.15092 -0.22870 -0.06654 11 4YY -0.01039 0.00262 0.00293 0.01625 -0.02255 12 4ZZ 0.21790 0.06029 0.14237 0.20722 0.12158 13 4XY 0.02023 -0.00947 0.06177 -0.23293 0.05194 14 4XZ -0.02982 -0.01026 -0.02130 -0.11736 -0.02648 15 4YZ 0.00032 0.02442 0.05950 -0.23572 -0.05449 16 2 C 1S -0.00452 -0.00216 0.01529 0.00290 0.00845 17 2S -0.13813 0.10612 0.22223 0.05360 -0.18817 18 2PX -0.11994 -0.03615 0.00509 0.01554 -0.02462 19 2PY -0.02378 0.04599 0.04607 -0.01324 -0.03181 20 2PZ -0.04077 0.13317 -0.03971 0.00389 -0.08038 21 3S 0.02752 0.99869 -1.33890 -0.66251 0.63234 22 3PX 0.46273 1.24049 0.24231 -0.07982 -0.74779 23 3PY 0.13745 -0.35432 -0.79701 0.03949 -0.18227 24 3PZ -0.11955 -1.21768 -0.03114 0.01487 0.80230 25 4XX 0.07041 -0.02071 0.24490 0.15251 0.03882 26 4YY 0.05392 0.04208 -0.01019 -0.01297 -0.00251 27 4ZZ -0.12658 -0.03092 -0.23471 -0.14541 -0.01686 28 4XY -0.27023 -0.03352 -0.06999 0.02406 0.00445 29 4XZ 0.03696 -0.06984 0.03061 -0.00560 0.05292 30 4YZ -0.27669 -0.11227 -0.05813 0.13261 -0.03444 31 3 C 1S 0.00014 0.02915 -0.00497 -0.00369 -0.02132 32 2S -0.15344 0.56265 0.12735 -0.07569 -0.28114 33 2PX -0.06051 0.05362 0.08779 0.02268 -0.08669 34 2PY 0.01140 -0.06869 -0.02866 -0.04137 0.11654 35 2PZ -0.04353 0.11939 0.07089 -0.10273 -0.03312 36 3S -0.15667 -1.76872 0.50131 0.21750 1.30943 37 3PX 0.12160 0.61361 -0.49673 -0.18753 -0.06087 38 3PY 0.05931 1.04474 0.24998 -0.04830 -0.67182 39 3PZ 0.13265 -0.67891 -0.25424 0.24326 0.09301 40 4XX 0.07107 0.02706 -0.09039 -0.14119 -0.15481 41 4YY 0.00384 -0.01066 0.01127 0.01376 -0.02922 42 4ZZ -0.06891 -0.01901 0.09038 0.13585 0.16475 43 4XY -0.03662 -0.00583 0.00924 -0.05629 0.36219 44 4XZ 0.04907 -0.10999 -0.01458 -0.02378 0.19702 45 4YZ 0.00889 0.00315 -0.05740 -0.08442 0.03142 46 4 C 1S 0.00104 -0.03085 0.00761 -0.00441 -0.02371 47 2S 0.15946 -0.58733 -0.07971 -0.12370 -0.32821 48 2PX 0.06037 -0.06467 -0.07226 0.00866 -0.10894 49 2PY 0.02317 -0.05866 -0.01731 0.03729 -0.11477 50 2PZ 0.02402 -0.11534 -0.05577 -0.11940 -0.04459 51 3S -0.06226 1.77998 -0.69749 0.27782 1.33560 52 3PX -0.06393 -0.50137 0.51386 -0.17437 0.04518 53 3PY -0.04827 1.06133 0.13449 0.09013 0.68373 54 3PZ -0.13602 0.66109 0.20522 0.32577 0.09449 55 4XX -0.06331 -0.01968 0.11539 -0.12709 -0.19971 56 4YY -0.00658 0.00995 -0.01164 0.00847 0.00004 57 4ZZ 0.06809 0.00746 -0.11319 0.12773 0.17491 58 4XY -0.02330 -0.01532 0.01042 0.07304 -0.34554 59 4XZ -0.04734 0.10118 0.00232 -0.01085 0.20253 60 4YZ -0.00424 -0.01371 -0.07015 0.08014 -0.03680 61 5 C 1S 0.00332 0.00176 -0.01642 0.00137 0.00632 62 2S 0.10752 -0.11694 -0.23120 0.02096 -0.22556 63 2PX 0.09638 0.03534 -0.00837 0.01371 -0.03409 64 2PY -0.02740 0.04580 0.04481 0.02334 0.03858 65 2PZ 0.03931 -0.12830 0.04405 -0.00089 -0.07574 66 3S 0.04293 -1.02596 1.43475 -0.58804 0.76685 67 3PX -0.26690 -1.22320 -0.17989 -0.14283 -0.72855 68 3PY 0.07891 -0.32787 -0.78509 -0.09675 0.10271 69 3PZ 0.00338 1.18871 -0.04285 0.06401 0.81630 70 4XX -0.09967 0.00915 -0.26611 0.11870 0.05425 71 4YY -0.02277 -0.03984 0.01834 -0.00768 -0.00368 72 4ZZ 0.12679 0.03771 0.24809 -0.11623 -0.03060 73 4XY -0.24027 -0.02875 -0.04291 -0.04570 -0.01090 74 4XZ -0.04721 0.04739 -0.03070 -0.00960 0.06528 75 4YZ -0.24939 -0.10218 -0.04086 -0.14581 0.01826 76 6 C 1S 0.00052 0.00141 0.01735 0.00155 0.01114 77 2S 0.11674 -0.11659 0.33379 -0.01949 0.05708 78 2PX 0.00012 -0.05470 0.00466 0.06445 -0.05598 79 2PY -0.04302 0.06248 -0.00743 -0.01368 0.00628 80 2PZ -0.06627 0.00787 -0.08028 0.07946 0.05975 81 3S -0.12993 0.26666 -2.17551 0.05339 -1.09315 82 3PX -0.12651 -0.18263 -0.85935 -0.06285 -0.18421 83 3PY -0.08918 -1.15352 0.82500 0.10701 -0.39571 84 3PZ 0.14813 0.12923 0.76213 0.02963 0.11221 85 4XX 0.18246 0.06732 0.18331 -0.17718 -0.07376 86 4YY 0.01073 0.00438 -0.00596 -0.00944 -0.01865 87 4ZZ -0.18966 -0.06992 -0.17321 0.18243 0.12439 88 4XY 0.02301 -0.02601 0.01781 0.24997 -0.04996 89 4XZ 0.02441 0.00564 0.03703 -0.09715 -0.02376 90 4YZ 0.00668 0.00417 0.01580 0.25046 0.05340 91 7 H 1S -0.03387 -0.06991 0.12681 -0.02584 0.02289 92 2S -0.01132 -0.14165 0.27561 -0.05601 0.16184 93 8 H 1S 0.05989 0.11289 -0.07141 -0.04405 -0.12212 94 2S 0.05729 0.02500 -0.03602 0.15813 -0.17864 95 9 H 1S -0.05378 -0.11712 0.08793 -0.03479 -0.12833 96 2S -0.01897 -0.04183 0.04054 0.17344 -0.18982 97 10 H 1S 0.00958 0.06586 -0.13179 -0.03387 0.00327 98 2S -0.03622 0.12804 -0.28943 -0.06896 0.11957 99 11 O 1S -0.00151 0.01435 0.00070 -0.00669 0.01598 100 2S -0.01716 0.17608 -0.01361 -0.14561 0.38359 101 2PX -0.03860 -0.05098 0.00622 -0.00035 0.04338 102 2PY 0.02032 -0.00649 -0.00917 -0.04678 0.12505 103 2PZ -0.04009 -0.04910 -0.02614 0.03962 -0.01283 104 3S 0.11393 -0.74664 -0.08481 0.43470 -1.01787 105 3PX -0.14323 -0.12949 -0.08360 0.04817 0.02013 106 3PY 0.02296 -0.20125 0.06674 0.16619 -0.40128 107 3PZ -0.05317 0.18967 0.01333 0.00748 -0.13737 108 4XX 0.07601 0.01878 0.09591 0.03439 0.08778 109 4YY -0.04486 0.03831 -0.00874 -0.03127 0.12552 110 4ZZ -0.04029 0.08076 -0.08891 -0.10440 0.04949 111 4XY 0.17659 0.03379 0.03666 -0.05523 -0.02228 112 4XZ 0.03635 0.02854 0.00973 -0.05779 -0.00548 113 4YZ 0.17736 0.05334 0.04210 -0.10055 0.08007 114 12 O 1S 0.00000 -0.01630 -0.00021 -0.00686 0.01500 115 2S -0.00263 -0.20769 0.02031 -0.14422 0.37053 116 2PX 0.03606 0.04566 -0.01122 0.00643 0.03412 117 2PY 0.01724 -0.00588 -0.00991 0.04583 -0.13012 118 2PZ 0.04103 0.04309 0.02278 0.04809 -0.00566 119 3S -0.03618 0.84829 0.05533 0.44645 -0.95224 120 3PX 0.10938 0.11393 0.07187 0.04505 0.04985 121 3PY -0.00385 -0.24042 0.07124 -0.16427 0.39157 122 3PZ 0.05869 -0.18193 -0.00519 -0.00633 -0.14506 123 4XX -0.05832 -0.02517 -0.09697 0.02873 0.09615 124 4YY 0.01528 -0.05417 0.00439 -0.03520 0.11853 125 4ZZ 0.03588 -0.08271 0.09941 -0.09498 0.03920 126 4XY 0.16219 0.02385 0.03386 0.05678 0.02987 127 4XZ -0.01829 -0.03274 0.00265 -0.04872 -0.00846 128 4YZ 0.16524 0.04554 0.03243 0.11221 -0.07135 129 13 C 1S 0.00035 0.00057 0.00237 -0.03680 -0.01283 130 2S 0.01746 0.00409 0.03303 -0.53433 -0.11789 131 2PX -0.00730 -0.01061 -0.00598 0.13147 -0.07147 132 2PY 0.04204 0.01736 -0.04304 -0.00792 0.00028 133 2PZ 0.00080 -0.00820 -0.00142 0.01137 0.07972 134 3S -0.02209 0.01657 -0.09061 1.15996 0.82880 135 3PX 0.04860 0.05037 -0.00123 -0.22969 -0.13578 136 3PY 0.25326 0.36205 -0.21022 -0.00610 -0.01474 137 3PZ 0.02182 0.05435 -0.00771 0.08999 -0.25528 138 4XX -0.00404 -0.01786 0.01086 0.04673 -0.11489 139 4YY -0.00119 0.02098 -0.01119 -0.06889 0.15842 140 4ZZ 0.00676 -0.00231 0.00260 -0.01748 -0.04157 141 4XY -0.06560 -0.22738 0.14755 0.00434 0.02531 142 4XZ -0.00227 -0.02535 -0.00077 -0.00194 0.17767 143 4YZ 0.04515 -0.44231 0.11744 0.00197 0.00070 144 14 H 1S -0.00728 -0.00648 0.01493 -0.20476 0.00193 145 2S -0.01109 -0.02550 0.00571 -0.00100 -0.03849 146 15 H 1S 0.00681 0.01053 0.00555 -0.08082 -0.10372 147 2S -0.00012 0.01649 0.00801 -0.14542 -0.13081 148 16 C 1S -0.00454 -0.00973 -0.00194 0.00874 0.02250 149 2S -0.08434 0.11672 0.15237 0.08172 0.20671 150 2PX 0.00349 -0.13319 -0.09827 -0.02538 -0.03252 151 2PY -0.06587 0.01128 -0.01323 -0.09751 0.10229 152 2PZ 0.09855 -0.02130 -0.09404 -0.00077 -0.04611 153 3S 1.09160 -0.41809 -1.25927 -0.65092 -0.76404 154 3PX 0.05591 0.22146 0.06406 -0.04508 0.00031 155 3PY 1.06969 -0.26798 -0.57258 0.23286 -0.17608 156 3PZ 0.30051 -0.72646 -0.43735 0.02445 0.32361 157 4XX 0.06710 0.15525 -0.21046 -0.09684 0.02791 158 4YY -0.01330 -0.03250 0.03768 0.02881 -0.14582 159 4ZZ -0.03002 -0.16222 0.13305 0.05371 0.10857 160 4XY -0.15489 0.26656 0.13691 -0.00513 0.07414 161 4XZ -0.05396 -0.02071 0.16404 0.02419 0.01173 162 4YZ 0.00864 0.22574 -0.04539 0.00305 0.01009 163 17 H 1S 0.12170 -0.07916 -0.03292 0.10077 0.23789 164 2S 0.32863 -0.10005 -0.08826 0.18530 -0.02333 165 18 C 1S 0.03119 -0.02318 -0.03038 0.00171 0.00143 166 2S 0.42087 -0.42631 -0.48790 0.00432 0.06073 167 2PX 0.03616 0.03599 -0.09336 -0.02914 -0.05059 168 2PY -0.03832 -0.00706 0.03125 0.06230 0.02353 169 2PZ -0.01356 -0.00007 0.05716 -0.05917 -0.04504 170 3S -2.84929 1.98576 2.84021 0.44677 0.03215 171 3PX -0.43855 0.07334 0.55738 -0.05984 0.21134 172 3PY -1.31453 0.15610 1.15873 -0.25233 0.31301 173 3PZ 1.13774 -0.49901 -1.39780 0.11876 -0.17852 174 4XX -0.05371 0.03956 0.15173 0.04956 0.02529 175 4YY -0.01405 -0.01175 0.00628 0.03321 -0.01103 176 4ZZ 0.08675 -0.04214 -0.17551 -0.09034 -0.04814 177 4XY -0.03920 0.07461 -0.02241 0.16469 -0.16744 178 4XZ 0.08581 0.00221 -0.19904 -0.14254 -0.07688 179 4YZ -0.00652 0.00937 -0.01282 0.11969 0.05234 180 19 H 1S -0.13945 -0.07965 0.17194 -0.08486 0.18742 181 2S -0.37245 -0.07503 0.42094 -0.17872 0.11794 182 20 C 1S 0.00582 0.01281 -0.00030 0.00885 0.02311 183 2S 0.10025 -0.06224 -0.15275 0.04884 0.21261 184 2PX -0.01170 0.12500 0.08963 -0.00412 -0.04466 185 2PY -0.06969 -0.00867 -0.02442 0.09270 -0.09567 186 2PZ -0.09721 0.01850 0.09184 0.01706 -0.02858 187 3S -1.10808 0.29217 1.33507 -0.37858 -0.55261 188 3PX 0.01646 -0.23551 -0.09100 -0.08237 0.01969 189 3PY 1.08231 -0.23883 -0.53973 -0.32694 0.00574 190 3PZ -0.34810 0.69032 0.38791 0.11847 0.40530 191 4XX -0.10185 -0.11896 0.22996 -0.07145 0.03334 192 4YY 0.02914 0.00207 -0.04501 0.01949 -0.14370 193 4ZZ 0.05259 0.15852 -0.14571 0.04576 0.10667 194 4XY -0.16367 0.28416 0.11637 0.03786 -0.07508 195 4XZ 0.08443 0.02464 -0.17087 0.00613 0.00036 196 4YZ -0.00189 0.22371 -0.03354 -0.00873 -0.02958 197 21 H 1S -0.12406 0.09914 0.00877 0.10312 0.25553 198 2S -0.33346 0.10737 0.07076 0.19596 0.02832 199 22 C 1S -0.03036 0.02281 0.02914 0.00820 0.00787 200 2S -0.41033 0.41999 0.47026 0.11810 0.15653 201 2PX -0.02705 -0.02902 0.09977 -0.02733 -0.04633 202 2PY -0.03820 -0.01452 0.03165 -0.05427 -0.01574 203 2PZ 0.00275 -0.01015 -0.04557 -0.07106 -0.05422 204 3S 2.86869 -1.89901 -2.81648 -0.16295 -0.59037 205 3PX 0.35125 -0.06934 -0.46311 -0.11902 0.08288 206 3PY -1.33752 0.20884 1.16482 0.48131 -0.00451 207 3PZ -1.14133 0.49492 1.36418 0.39580 0.11696 208 4XX 0.07285 -0.03829 -0.15731 0.00454 0.02835 209 4YY 0.01487 0.00507 -0.01170 0.05401 -0.03630 210 4ZZ -0.10363 0.04596 0.18814 -0.06410 -0.02764 211 4XY 0.01080 0.07565 0.00532 -0.15917 0.16793 212 4XZ -0.10777 0.00780 0.20950 -0.12967 -0.06790 213 4YZ 0.01436 -0.00109 -0.01297 -0.11050 -0.04914 214 23 H 1S 0.15063 0.07581 -0.17087 -0.11340 0.14001 215 2S 0.36610 0.04821 -0.40087 -0.25185 0.00971 141 142 143 144 145 V V V V V Eigenvalues -- 1.56083 1.58041 1.63776 1.65955 1.68136 1 1 C 1S 0.00458 -0.02161 -0.00157 -0.06055 -0.02506 2 2S 0.01746 -0.46512 -0.08130 -1.07415 -0.36263 3 2PX -0.02521 -0.08347 0.00136 -0.15652 -0.00419 4 2PY 0.04551 -0.02593 0.01769 -0.02862 -0.00859 5 2PZ 0.02670 0.05662 0.00734 0.10691 -0.01140 6 3S -0.26390 2.80497 0.29707 7.26759 2.95550 7 3PX -0.14954 1.31513 0.35774 3.11956 1.29559 8 3PY 0.01508 1.09163 0.31479 2.97798 0.28227 9 3PZ 0.10182 -1.07585 -0.26715 -2.45920 -0.98677 10 4XX -0.00127 -0.00794 0.06201 -0.01306 0.05688 11 4YY 0.01923 -0.01209 -0.07094 0.04991 0.00589 12 4ZZ -0.03421 0.03047 0.03576 0.00558 -0.03979 13 4XY -0.01642 0.04505 -0.04931 0.01482 -0.02058 14 4XZ -0.06581 0.01886 0.06345 0.05395 0.00447 15 4YZ -0.00035 0.00497 0.01018 -0.02296 -0.03225 16 2 C 1S -0.00218 0.01539 0.00823 0.03490 0.02413 17 2S -0.21288 0.23802 0.33874 0.68432 0.53794 18 2PX -0.01092 0.02313 0.09410 0.18099 0.00763 19 2PY -0.06594 0.01353 0.08113 0.03813 0.04018 20 2PZ -0.04023 -0.04136 -0.04607 -0.04621 0.05225 21 3S 0.30420 -1.78028 -0.85595 -4.68090 -2.93712 22 3PX -0.11027 0.02319 -0.54194 -0.15569 0.12711 23 3PY 0.56068 -1.18122 -0.81805 -2.11838 -1.71438 24 3PZ 0.32914 0.18072 0.22331 -0.22438 -0.72602 25 4XX 0.08644 0.18361 -0.06916 -0.03212 -0.22523 26 4YY -0.01440 -0.03562 0.02775 -0.07619 0.03915 27 4ZZ -0.08804 -0.17302 0.04840 0.02361 0.15269 28 4XY 0.01526 0.07100 -0.09556 0.04632 -0.05521 29 4XZ -0.02130 0.10361 0.11082 -0.16380 0.01003 30 4YZ 0.07285 0.14931 0.02872 -0.05624 -0.05026 31 3 C 1S 0.00267 -0.03023 -0.00420 -0.01224 0.03244 32 2S 0.18239 -0.56467 0.01728 -0.23622 0.08200 33 2PX 0.09981 -0.16563 -0.01777 -0.05141 -0.06111 34 2PY 0.05160 -0.02699 -0.03194 -0.05206 -0.10986 35 2PZ 0.05796 -0.00047 0.06587 0.11513 -0.12823 36 3S -0.01598 2.62044 0.80374 2.97976 0.60380 37 3PX -0.15237 -0.32370 -0.20882 -0.75311 -1.17839 38 3PY -0.35034 0.63399 -0.10961 0.83485 1.04603 39 3PZ -0.23293 -0.07902 0.38962 0.22691 1.82997 40 4XX -0.10305 -0.07827 0.14629 0.06467 0.11361 41 4YY 0.13171 -0.01518 -0.00100 0.00726 -0.02714 42 4ZZ -0.08656 0.11151 -0.07045 -0.02732 0.03759 43 4XY -0.02716 -0.02133 -0.28295 0.07769 -0.00782 44 4XZ -0.10812 0.06444 0.15689 -0.03440 0.09850 45 4YZ -0.06052 -0.11287 -0.09185 -0.01819 0.11236 46 4 C 1S 0.00590 0.02701 -0.01121 0.01365 -0.03041 47 2S 0.22729 0.47929 -0.01413 0.24484 -0.07704 48 2PX 0.11133 0.13866 -0.00242 0.05616 0.03674 49 2PY -0.05794 -0.03581 0.01116 -0.06454 -0.11004 50 2PZ 0.05603 -0.01643 0.06977 -0.11632 0.11544 51 3S -0.23448 -2.44906 0.67069 -3.07818 -0.74214 52 3PX -0.11112 0.35085 -0.03735 0.79371 1.28047 53 3PY 0.39785 0.63641 0.30436 0.77059 0.92182 54 3PZ -0.20936 0.12089 0.14502 -0.27861 -1.89595 55 4XX -0.09006 0.07795 0.14375 -0.05233 -0.13198 56 4YY 0.13088 -0.00220 -0.01992 -0.01851 0.03457 57 4ZZ -0.09604 -0.08664 -0.07813 0.02389 -0.03115 58 4XY 0.03971 -0.05622 0.27566 0.07872 -0.03171 59 4XZ -0.10732 -0.04311 0.14139 0.01519 -0.10370 60 4YZ 0.05246 -0.11227 0.09748 -0.01782 0.08890 61 5 C 1S -0.00361 -0.01395 0.00315 -0.03584 -0.02507 62 2S -0.23070 -0.22069 0.21041 -0.69569 -0.58442 63 2PX -0.00704 -0.02241 0.07449 -0.18702 -0.00101 64 2PY 0.06728 0.01340 -0.07399 0.05117 0.05492 65 2PZ -0.03533 0.04299 -0.05504 0.05354 -0.05501 66 3S 0.42948 1.69958 -0.18262 4.70742 3.02763 67 3PX -0.15628 -0.15094 -0.56406 0.08162 -0.19526 68 3PY -0.66719 -1.10728 0.48828 -2.19044 -1.84901 69 3PZ 0.31182 -0.14724 0.39206 0.18540 0.70021 70 4XX 0.06801 -0.17599 -0.01961 0.03771 0.22346 71 4YY -0.01132 0.02871 0.01701 0.06934 -0.03430 72 4ZZ -0.07091 0.17489 0.02039 -0.02263 -0.15707 73 4XY -0.01534 0.08421 0.09293 0.03860 -0.07509 74 4XZ -0.03615 -0.08704 0.11465 0.15436 -0.03546 75 4YZ -0.05755 0.15683 -0.04730 -0.05424 -0.05300 76 6 C 1S 0.00638 0.02150 0.00595 0.05999 0.02496 77 2S 0.05741 0.45932 0.03938 1.08392 0.35426 78 2PX -0.02039 0.08037 0.01082 0.15920 -0.00102 79 2PY -0.04620 -0.02411 -0.02014 -0.03325 -0.01619 80 2PZ 0.02094 -0.05370 0.00261 -0.10985 0.01541 81 3S -0.50905 -2.81505 -0.57236 -7.24637 -2.94393 82 3PX -0.26330 -1.22728 -0.04107 -2.93816 -1.29702 83 3PY 0.10469 1.14083 -0.12924 3.19933 0.41314 84 3PZ 0.20267 1.05807 0.03487 2.45692 1.00592 85 4XX 0.00194 0.00482 0.05814 0.01092 -0.06378 86 4YY 0.01854 0.00383 -0.07845 -0.04255 0.00337 87 4ZZ -0.03705 -0.01422 0.04197 -0.01384 0.03175 88 4XY 0.02187 0.04204 0.03671 0.00637 -0.00780 89 4XZ -0.06756 -0.01928 0.05663 -0.04815 -0.02994 90 4YZ 0.00465 0.01407 -0.01899 -0.01231 -0.03490 91 7 H 1S -0.02322 0.17748 0.12134 0.46561 0.05559 92 2S -0.05314 0.47239 0.15278 1.13368 0.25865 93 8 H 1S -0.03361 -0.16953 0.06240 -0.02215 0.48506 94 2S -0.07515 -0.16179 0.15116 -0.09724 0.79426 95 9 H 1S -0.01360 0.16150 -0.01683 0.02244 -0.49323 96 2S -0.05705 0.15702 0.05003 0.08217 -0.82420 97 10 H 1S -0.04104 -0.17724 0.08451 -0.47278 -0.06673 98 2S -0.09865 -0.45578 0.04901 -1.14154 -0.28006 99 11 O 1S -0.00824 0.00575 0.01305 -0.00983 0.00757 100 2S 0.00943 0.05166 0.11690 -0.30799 0.00468 101 2PX 0.04943 0.04357 -0.06574 0.03415 -0.06099 102 2PY 0.03883 -0.01452 -0.01817 -0.10942 -0.08070 103 2PZ 0.04367 0.06249 0.01875 -0.06813 -0.01405 104 3S 0.26044 -0.34784 -0.56586 0.51221 -0.37626 105 3PX -0.03516 -0.05100 0.12143 -0.02628 0.02806 106 3PY 0.00376 0.00789 -0.09159 0.45587 0.07915 107 3PZ -0.08880 -0.07797 -0.04948 0.13247 0.11871 108 4XX 0.03049 0.09556 0.00384 -0.04954 -0.10672 109 4YY 0.00986 0.05238 0.03441 -0.07776 0.00724 110 4ZZ -0.07237 -0.09548 0.07167 -0.04636 0.11876 111 4XY -0.02604 -0.07155 0.06939 0.00225 0.09270 112 4XZ -0.04430 0.02564 0.09041 -0.12612 0.07288 113 4YZ -0.02599 -0.11196 -0.06408 0.02373 -0.00326 114 12 O 1S -0.00945 -0.00464 0.01234 0.00849 -0.01042 115 2S -0.00651 -0.04322 0.13512 0.29157 -0.03461 116 2PX 0.04303 -0.04574 -0.05796 -0.03363 0.05636 117 2PY -0.04130 -0.01047 0.00206 -0.10699 -0.08573 118 2PZ 0.03828 -0.06552 0.02577 0.06210 0.01757 119 3S 0.32819 0.30399 -0.54075 -0.44408 0.50620 120 3PX -0.02974 0.06132 0.13304 0.03799 -0.02517 121 3PY -0.01373 0.01246 0.12325 0.43685 0.05396 122 3PZ -0.08215 0.07643 -0.08369 -0.11991 -0.12016 123 4XX 0.02319 -0.09916 0.01345 0.04746 0.12379 124 4YY -0.00054 -0.04056 0.04422 0.07205 -0.02710 125 4ZZ -0.06759 0.09636 0.05921 0.04138 -0.14189 126 4XY 0.01915 -0.06381 -0.05181 0.00809 0.08185 127 4XZ -0.04526 -0.03563 0.08866 0.12339 -0.08936 128 4YZ 0.01874 -0.11236 0.05609 0.00676 -0.00120 129 13 C 1S -0.07831 0.00176 -0.05877 0.00131 0.00414 130 2S -1.16872 0.03908 -0.68523 0.01281 0.04838 131 2PX 0.12221 -0.00941 -0.06276 0.00290 0.00146 132 2PY 0.00202 0.01350 -0.00746 -0.04828 -0.03088 133 2PZ -0.10010 0.00481 0.11871 -0.00638 -0.01527 134 3S 3.11471 -0.07473 2.83348 -0.07812 -0.17517 135 3PX -0.64021 0.05204 -0.36006 -0.00041 0.04409 136 3PY 0.04234 0.35453 0.01928 -0.08059 0.29717 137 3PZ 0.26819 0.01139 -0.03546 0.00200 0.05717 138 4XX -0.15049 -0.01819 -0.15404 0.00591 0.00561 139 4YY 0.07831 0.02025 0.24674 -0.00978 -0.01872 140 4ZZ -0.00180 -0.00047 -0.10795 0.00345 0.01289 141 4XY -0.00700 -0.30503 0.00200 -0.00135 -0.17713 142 4XZ 0.11845 -0.00881 0.28437 -0.01483 -0.03159 143 4YZ -0.01450 -0.18035 -0.00687 -0.07033 0.14603 144 14 H 1S -0.19465 -0.00219 -0.21795 0.00696 0.00959 145 2S -0.16921 -0.00419 -0.13370 0.00525 -0.00143 146 15 H 1S -0.31898 0.01163 -0.17263 0.00303 0.01631 147 2S -0.18197 0.01090 -0.33666 0.01114 0.04177 148 16 C 1S -0.00320 -0.00670 0.05030 -0.00162 -0.02172 149 2S 0.08712 -0.16026 0.47049 -0.18131 -0.42914 150 2PX -0.04723 -0.00852 -0.01904 0.14292 0.11243 151 2PY -0.17433 -0.02833 0.01769 0.01510 0.04930 152 2PZ -0.01738 0.14827 0.00574 -0.01387 0.10992 153 3S -0.76332 1.82020 -2.02182 -0.77186 1.56976 154 3PX -0.40354 -0.05065 -0.29303 -0.17447 -0.22345 155 3PY 0.20488 1.22955 -0.15316 -0.87813 0.40465 156 3PZ 0.50731 0.33222 0.36897 -0.53486 -0.27852 157 4XX -0.03251 0.07414 0.21110 0.14660 0.00750 158 4YY 0.04317 -0.05531 -0.18264 -0.00264 -0.06964 159 4ZZ -0.07026 0.00813 0.05871 -0.13403 0.12497 160 4XY -0.03886 -0.00514 -0.08952 -0.04100 -0.02492 161 4XZ -0.11207 0.09792 0.08329 -0.04321 0.26482 162 4YZ 0.12790 0.21868 -0.11681 -0.07580 0.07551 163 17 H 1S 0.02940 0.10855 0.40144 -0.11683 -0.00795 164 2S 0.32608 0.29813 0.23966 -0.31571 -0.07858 165 18 C 1S 0.01002 0.03873 -0.00059 -0.02913 0.01318 166 2S 0.09430 0.67193 -0.10248 -0.38696 0.10664 167 2PX 0.07303 -0.04307 0.03836 0.03757 -0.00156 168 2PY 0.00420 -0.04948 0.01429 0.04706 -0.02192 169 2PZ 0.13744 -0.08969 -0.03915 0.06209 -0.03058 170 3S -0.49026 -4.22431 0.27082 2.56246 -1.32324 171 3PX -0.18938 -0.68210 0.05587 0.54062 -0.36171 172 3PY -0.31562 -2.16883 0.03510 1.15976 -0.84796 173 3PZ 0.33613 1.96418 -0.20721 -1.48117 0.90031 174 4XX -0.21997 -0.04859 0.16369 -0.01661 0.12506 175 4YY 0.00481 -0.02683 -0.04670 0.03168 -0.00460 176 4ZZ 0.23613 0.04118 -0.08822 0.01354 -0.12430 177 4XY -0.25413 -0.02515 -0.07258 0.02809 -0.04935 178 4XZ 0.07234 -0.06306 0.05658 0.16202 -0.18024 179 4YZ -0.22493 0.00270 0.05285 -0.05458 -0.00104 180 19 H 1S -0.24011 -0.30313 0.14048 0.21522 -0.16483 181 2S -0.12088 -0.73731 0.00291 0.49798 -0.38630 182 20 C 1S -0.00127 0.01023 0.04859 -0.00324 0.01420 183 2S 0.10336 0.16521 0.50236 0.13681 0.34598 184 2PX -0.02703 0.01385 -0.04798 -0.13758 -0.09456 185 2PY 0.16659 -0.05005 -0.00340 0.03322 0.05471 186 2PZ -0.03330 -0.14223 -0.00753 0.01474 -0.10353 187 3S -1.02408 -1.83274 -2.01249 0.94340 -1.28690 188 3PX -0.38890 0.15899 -0.22956 0.11414 0.27346 189 3PY 0.04491 1.22938 0.11013 -0.90431 0.45201 190 3PZ 0.44119 -0.36746 0.47566 0.51571 0.14990 191 4XX -0.03163 -0.07332 0.19491 -0.16725 -0.05284 192 4YY 0.04013 0.03792 -0.17862 0.02664 0.11686 193 4ZZ -0.06775 0.01468 0.05041 0.12371 -0.13659 194 4XY 0.04509 -0.00410 0.05445 -0.02430 -0.02226 195 4XZ -0.12401 -0.05961 0.04092 0.02727 -0.26473 196 4YZ -0.09179 0.22971 0.11715 -0.08687 0.08105 197 21 H 1S 0.00724 -0.07691 0.40329 0.07522 -0.07783 198 2S 0.26101 -0.32360 0.27767 0.31027 0.00754 199 22 C 1S 0.00468 -0.03853 0.00139 0.02924 -0.01409 200 2S 0.00810 -0.65775 -0.07372 0.39298 -0.08990 201 2PX 0.07470 0.03085 0.03362 -0.03515 -0.00009 202 2PY -0.01815 -0.05913 -0.01636 0.05098 -0.01382 203 2PZ 0.14577 0.06206 -0.03124 -0.05387 0.02753 204 3S 0.11730 4.24790 0.12697 -2.59020 1.34175 205 3PX -0.08057 0.54224 0.04252 -0.47170 0.29939 206 3PY 0.00916 -2.20029 -0.04470 1.20312 -0.86672 207 3PZ 0.04600 -1.97230 -0.17095 1.51232 -0.88916 208 4XX -0.17889 0.06801 0.14255 -0.00010 -0.17409 209 4YY -0.02667 0.03449 -0.05419 -0.02894 0.02879 210 4ZZ 0.23001 -0.07357 -0.06296 -0.00027 0.14090 211 4XY 0.26825 -0.04013 0.05070 0.01075 -0.04228 212 4XZ 0.09322 0.03858 0.07017 -0.16114 0.17032 213 4YZ 0.21763 -0.03571 -0.06186 -0.03144 -0.00263 214 23 H 1S -0.19171 0.33254 0.14519 -0.23866 0.13934 215 2S -0.01245 0.72718 0.01246 -0.50226 0.38576 146 147 148 149 150 V V V V V Eigenvalues -- 1.69232 1.76897 1.78392 1.80225 1.82254 1 1 C 1S -0.01024 -0.00175 -0.00731 0.00271 0.00252 2 2S 0.23184 -0.06566 -0.14620 0.06900 0.10410 3 2PX 0.10984 -0.02684 -0.02108 0.02909 0.05190 4 2PY -0.15965 0.00158 0.10685 -0.01492 -0.01753 5 2PZ -0.06929 0.01086 0.03014 -0.01422 -0.01855 6 3S 0.36532 0.09434 1.89615 -0.28823 -0.50416 7 3PX -0.17957 0.00178 0.97630 -0.14677 -0.05765 8 3PY -0.23619 -0.04735 0.91302 0.05737 0.39452 9 3PZ 0.09006 -0.06285 -0.83494 0.08335 -0.07679 10 4XX -0.12432 -0.13590 -0.04912 -0.07406 -0.20685 11 4YY 0.10414 -0.01262 -0.01190 0.02977 -0.04248 12 4ZZ 0.00626 0.15090 0.07190 0.03362 0.26242 13 4XY 0.18386 0.05649 0.00308 0.04054 0.07997 14 4XZ 0.19653 -0.09845 0.02202 0.06970 0.07919 15 4YZ -0.17397 0.09813 -0.00250 0.00258 0.02235 16 2 C 1S -0.00812 -0.00274 0.02491 0.00448 0.00662 17 2S 0.08150 -0.01687 0.51777 -0.04967 0.35948 18 2PX -0.21992 0.03227 0.08502 -0.04330 0.10689 19 2PY 0.05669 -0.03766 0.20553 0.03439 0.08682 20 2PZ 0.16763 -0.00325 -0.03604 -0.01555 -0.00440 21 3S -0.47523 -0.07731 0.39536 0.06354 -1.02458 22 3PX 0.89288 0.05622 -0.22655 -0.09815 -0.82490 23 3PY 0.28036 0.04525 -2.66710 0.19441 -0.41882 24 3PZ -0.64369 -0.02349 0.10156 0.14666 0.87007 25 4XX 0.04858 -0.12360 -0.03000 -0.01278 -0.04835 26 4YY -0.02982 0.01341 0.04277 -0.04074 0.02960 27 4ZZ -0.01125 0.09669 -0.07709 0.08859 0.00048 28 4XY 0.21713 0.02112 0.01619 0.01144 0.05429 29 4XZ 0.07505 -0.07754 0.04993 0.03635 0.17110 30 4YZ -0.18553 0.04465 0.04657 -0.03656 0.11284 31 3 C 1S 0.00693 0.01020 0.02262 -0.01068 -0.05276 32 2S -0.10688 0.08213 0.42497 -0.13688 -0.53112 33 2PX 0.17118 -0.00808 -0.12517 0.02733 -0.05742 34 2PY 0.17825 -0.00267 0.11244 0.00496 -0.06939 35 2PZ -0.10776 -0.02961 0.14243 0.00893 -0.02326 36 3S -0.33793 -0.22532 -0.39219 0.36642 2.26986 37 3PX -0.07685 -0.02553 -0.11050 0.00169 -0.15513 38 3PY -0.13476 0.12541 -0.40466 -0.19396 -0.61913 39 3PZ 0.15829 0.09666 -0.51935 -0.03021 0.06942 40 4XX 0.15517 -0.06476 -0.03585 -0.13099 0.06091 41 4YY -0.14392 -0.03394 0.03498 0.08793 0.02367 42 4ZZ 0.02227 0.13367 0.02638 -0.00835 -0.10029 43 4XY -0.04654 -0.04940 0.05977 -0.03528 -0.04725 44 4XZ -0.13628 -0.00193 0.02008 -0.06436 -0.07593 45 4YZ -0.11671 -0.07001 -0.02429 -0.04900 0.35739 46 4 C 1S 0.00410 0.01365 -0.02218 -0.00989 -0.05250 47 2S -0.11552 0.13313 -0.42426 -0.10861 -0.51678 48 2PX 0.15681 -0.01095 0.13217 0.01140 -0.06616 49 2PY -0.19274 -0.00617 0.09634 -0.01246 0.07904 50 2PZ -0.09207 -0.01787 -0.14256 0.02562 -0.01835 51 3S -0.25346 -0.40336 0.36458 0.41728 2.24796 52 3PX -0.03628 -0.02984 0.09082 0.03390 -0.08073 53 3PY 0.15514 -0.05453 -0.38898 0.18528 0.68315 54 3PZ 0.03420 0.00848 0.50774 -0.06644 0.07157 55 4XX 0.15131 -0.06204 0.03727 -0.13130 0.05997 56 4YY -0.14274 -0.03467 -0.04115 0.09079 0.01503 57 4ZZ 0.01679 0.13067 -0.02201 -0.00494 -0.08566 58 4XY 0.02216 0.04227 0.06608 0.04657 0.04238 59 4XZ -0.13597 -0.00412 -0.02481 -0.04463 -0.07302 60 4YZ 0.13168 0.06816 -0.00286 0.05819 -0.35038 61 5 C 1S -0.00807 -0.00165 -0.02505 0.00644 0.00599 62 2S 0.08486 0.00132 -0.52009 -0.00122 0.35503 63 2PX -0.21489 0.03603 -0.07739 -0.03618 0.11125 64 2PY -0.04535 0.02373 0.20763 -0.05290 -0.09687 65 2PZ 0.16194 -0.00616 0.03946 -0.01819 -0.01154 66 3S -0.44620 0.04769 -0.41288 0.08231 -0.98534 67 3PX 0.85442 0.08184 0.08228 -0.13674 -0.88886 68 3PY -0.31554 0.09921 -2.72711 0.01355 0.40358 69 3PZ -0.59883 -0.02098 -0.10596 0.15655 0.93941 70 4XX 0.03691 -0.12260 0.02282 -0.01898 -0.05510 71 4YY -0.00824 0.01967 -0.04955 -0.04116 0.03138 72 4ZZ -0.02404 0.08670 0.09304 0.08811 0.00819 73 4XY -0.22645 -0.01918 0.00366 -0.00313 -0.02871 74 4XZ 0.08491 -0.07437 -0.04448 0.03905 0.16515 75 4YZ 0.17412 -0.04116 0.04996 0.02634 -0.13725 76 6 C 1S -0.01079 -0.00195 0.00722 0.00277 0.00440 77 2S 0.21499 -0.06471 0.15220 0.05644 0.10280 78 2PX 0.11348 -0.02742 0.02940 0.02403 0.04392 79 2PY 0.15094 -0.00716 0.10760 0.00076 0.01178 80 2PZ -0.06550 0.01041 -0.03225 -0.00852 -0.01124 81 3S 0.45674 0.15630 -1.88997 -0.17844 -0.64531 82 3PX -0.12972 0.04606 -0.93154 -0.08448 -0.13786 83 3PY 0.15139 0.00870 0.98899 -0.09899 -0.37386 84 3PZ 0.05470 -0.10342 0.83572 0.02737 -0.02549 85 4XX -0.14560 -0.14349 0.03012 -0.07879 -0.21342 86 4YY 0.12463 -0.00809 0.01716 0.03139 -0.03956 87 4ZZ 0.00705 0.15428 -0.05930 0.03672 0.26401 88 4XY -0.16621 -0.04812 -0.01168 -0.02886 -0.06363 89 4XZ 0.20913 -0.09917 -0.01889 0.06708 0.06777 90 4YZ 0.16014 -0.08998 -0.00617 -0.00812 -0.02632 91 7 H 1S -0.15182 -0.02077 0.17262 0.02477 0.08987 92 2S -0.06632 -0.00139 0.35563 -0.03269 0.07355 93 8 H 1S 0.03970 0.05384 -0.04047 -0.06120 -0.45571 94 2S 0.07115 0.08846 -0.27714 -0.10168 -0.22364 95 9 H 1S 0.00407 0.04861 0.04308 -0.06150 -0.45562 96 2S 0.01462 0.05991 0.26887 -0.12856 -0.23410 97 10 H 1S -0.13831 -0.00982 -0.17772 0.03568 0.08211 98 2S -0.04007 0.01662 -0.36222 -0.01094 0.05840 99 11 O 1S -0.00858 -0.00188 0.05239 -0.00391 0.00224 100 2S -0.19343 -0.07680 1.01740 0.05373 0.02429 101 2PX 0.12877 -0.01286 0.02281 0.03857 0.02368 102 2PY -0.04066 -0.03869 0.11244 0.06215 -0.03105 103 2PZ -0.11338 0.02967 0.01166 -0.02004 0.04681 104 3S 0.65703 0.16858 -3.54555 0.05365 -0.10469 105 3PX -0.28621 0.01814 -0.12607 -0.03998 0.07542 106 3PY 0.22463 0.07078 -0.98471 -0.02713 0.01223 107 3PZ 0.25757 -0.03277 -0.05375 0.00669 -0.17666 108 4XX -0.07213 -0.45615 0.03593 -0.25285 -0.05837 109 4YY -0.03911 -0.02716 0.35074 0.01364 0.05865 110 4ZZ -0.00280 0.43846 0.20952 0.25323 0.00592 111 4XY -0.13117 0.04357 0.03465 0.03905 -0.08075 112 4XZ 0.01192 -0.20119 0.26499 -0.01040 0.18011 113 4YZ 0.08050 -0.04125 -0.09007 0.04141 -0.15157 114 12 O 1S -0.00826 0.00206 -0.05358 -0.00030 0.00149 115 2S -0.18371 0.00151 -1.02999 0.12822 0.01371 116 2PX 0.13532 -0.00464 -0.01000 0.02900 0.01460 117 2PY 0.02928 0.02959 0.11101 -0.07615 0.02634 118 2PZ -0.11181 0.02897 -0.01101 -0.01630 0.05489 119 3S 0.62568 -0.09437 3.60755 -0.20129 -0.05338 120 3PX -0.30201 -0.00178 0.05173 -0.02926 0.10336 121 3PY -0.19637 0.00767 -1.00672 0.10083 -0.02675 122 3PZ 0.24899 -0.03390 0.05398 -0.00234 -0.19642 123 4XX -0.04710 -0.44096 -0.09376 -0.25271 -0.05616 124 4YY -0.04938 0.00240 -0.35701 0.04252 0.04463 125 4ZZ -0.01191 0.43962 -0.15479 0.26752 0.01215 126 4XY 0.13758 -0.00588 0.01294 -0.02657 0.07466 127 4XZ 0.00415 -0.17151 -0.28235 0.01537 0.18788 128 4YZ -0.07784 0.05543 -0.06821 -0.03194 0.14950 129 13 C 1S -0.02641 0.00046 -0.00019 -0.00974 0.00070 130 2S -0.27780 0.06978 -0.01495 -0.47618 0.10636 131 2PX 0.03391 0.01181 0.00638 0.09734 -0.11573 132 2PY -0.00205 -0.00757 0.07279 -0.00142 0.00744 133 2PZ 0.00983 0.03711 -0.00281 -0.07173 -0.03084 134 3S 0.60618 -0.39882 0.03300 1.32910 0.30799 135 3PX -0.25918 -0.05392 -0.00037 -0.07830 -0.08538 136 3PY 0.01676 -0.00802 0.07914 0.01131 0.01680 137 3PZ -0.20051 -0.50955 0.02078 0.82701 -0.06628 138 4XX -0.05049 -0.12436 0.00763 0.24101 -0.05467 139 4YY 0.03908 0.03969 -0.00648 -0.07739 -0.00356 140 4ZZ -0.01302 0.08776 -0.00056 -0.13284 0.05073 141 4XY -0.00208 0.00398 0.07872 -0.01896 -0.00070 142 4XZ 0.08125 0.12806 0.00260 -0.13399 -0.11860 143 4YZ 0.00092 -0.01184 0.14712 0.01176 0.01136 144 14 H 1S -0.01482 0.10363 -0.00415 -0.27520 0.11924 145 2S 0.04249 0.15312 -0.00479 -0.21998 -0.09467 146 15 H 1S -0.13762 -0.14562 0.00328 0.18214 -0.09825 147 2S -0.08891 -0.13718 0.00278 0.13711 0.01784 148 16 C 1S 0.01361 -0.00392 -0.02530 0.01057 0.01417 149 2S 0.17182 -0.10233 -0.32308 -0.02466 0.19031 150 2PX -0.04346 0.03486 0.02885 0.03968 -0.00720 151 2PY -0.06139 -0.00092 -0.07592 -0.04960 0.01148 152 2PZ -0.01067 0.00355 -0.01814 -0.06203 -0.09127 153 3S -0.58022 0.43347 0.51444 -0.68075 -0.56318 154 3PX 0.09324 -0.04260 -0.15225 -0.14500 0.25219 155 3PY 0.39074 0.23645 0.48501 -0.37995 -0.16886 156 3PZ 0.18820 0.15632 0.02628 -0.09623 0.32419 157 4XX 0.05794 0.09610 0.06692 -0.24330 -0.04000 158 4YY -0.03108 -0.03813 -0.01686 0.04934 0.03605 159 4ZZ -0.01500 -0.03044 -0.06024 0.15910 -0.03694 160 4XY -0.00973 0.09330 -0.08259 -0.10843 0.07172 161 4XZ 0.02616 0.07318 -0.05288 -0.14796 -0.06744 162 4YZ 0.04811 0.15899 -0.07395 -0.25835 0.12560 163 17 H 1S 0.15595 0.00638 0.05363 -0.02340 -0.01043 164 2S 0.25240 0.07720 0.12649 -0.04912 -0.00735 165 18 C 1S 0.00544 0.00177 -0.01730 -0.00029 -0.00405 166 2S 0.02441 0.07014 -0.19991 -0.17296 -0.04627 167 2PX 0.02528 -0.03079 -0.03106 0.05265 0.02129 168 2PY 0.04955 0.04052 -0.01059 -0.10220 0.01788 169 2PZ 0.00342 0.04033 0.05075 -0.04338 0.00430 170 3S -0.00736 -0.17117 0.71843 0.02678 0.08965 171 3PX -0.11663 -0.04530 0.20723 0.06622 -0.08911 172 3PY -0.29745 -0.14965 0.56863 0.27584 -0.02605 173 3PZ 0.14570 0.21838 -0.36808 -0.28750 -0.08641 174 4XX 0.08448 0.03456 -0.03177 -0.18524 -0.09110 175 4YY -0.03750 -0.05150 -0.00381 0.14096 -0.06711 176 4ZZ -0.01482 0.03238 0.01558 -0.00150 0.16439 177 4XY -0.01159 0.05261 0.04785 -0.13380 0.01523 178 4XZ -0.02590 -0.10328 0.09564 0.07049 0.05388 179 4YZ 0.00761 -0.09479 -0.01433 0.24689 0.02019 180 19 H 1S -0.08428 -0.16054 0.12066 0.28553 -0.01533 181 2S -0.09562 -0.06444 0.14394 0.10212 -0.02120 182 20 C 1S 0.01304 -0.00886 0.02569 0.01334 0.01815 183 2S 0.17255 -0.15273 0.32060 -0.00647 0.22256 184 2PX -0.04053 0.03403 -0.03320 0.04450 -0.01055 185 2PY 0.06773 0.00991 -0.06731 0.04536 -0.01630 186 2PZ -0.01800 0.00217 0.01484 -0.06313 -0.09222 187 3S -0.63667 0.58501 -0.54083 -0.83632 -0.69735 188 3PX 0.07193 -0.08537 0.17255 -0.10316 0.27271 189 3PY -0.35205 -0.34398 0.48233 0.49432 0.25125 190 3PZ 0.19626 0.18342 -0.03576 -0.14855 0.28455 191 4XX 0.06167 0.08622 -0.08636 -0.21594 -0.03800 192 4YY -0.02810 -0.03183 0.03269 0.04043 0.04879 193 4ZZ -0.02779 -0.03287 0.06421 0.14587 -0.04382 194 4XY 0.00477 -0.09787 -0.07113 0.13401 -0.07112 195 4XZ 0.00155 0.05078 0.03917 -0.12634 -0.07265 196 4YZ -0.04131 -0.15648 -0.06643 0.27946 -0.11119 197 21 H 1S 0.14780 0.01434 -0.06234 -0.02923 -0.01794 198 2S 0.24679 0.10720 -0.12038 -0.08328 -0.03267 199 22 C 1S 0.00354 0.00133 0.01671 -0.00383 -0.00563 200 2S 0.00457 0.06600 0.18737 -0.20332 -0.04438 201 2PX 0.02108 -0.03879 0.03275 0.06152 0.02131 202 2PY -0.05400 -0.03848 -0.00598 0.09638 -0.02334 203 2PZ 0.00906 0.04939 -0.05186 -0.04938 -0.00653 204 3S 0.14749 -0.23117 -0.69699 0.31729 0.23015 205 3PX -0.06546 -0.03015 -0.16493 0.08994 -0.05954 206 3PY 0.19973 0.13142 0.57382 -0.39823 -0.01602 207 3PZ 0.05375 0.22549 0.36201 -0.41270 -0.14752 208 4XX 0.07176 0.01950 0.02584 -0.16285 -0.08879 209 4YY -0.03596 -0.04505 0.00713 0.12613 -0.06174 210 4ZZ -0.00412 0.03731 -0.01595 -0.00637 0.15835 211 4XY -0.00160 -0.06335 0.04532 0.15670 -0.01323 212 4XZ -0.00784 -0.08468 -0.09929 0.06135 0.05008 213 4YZ -0.00508 0.09996 -0.01370 -0.24674 -0.02510 214 23 H 1S -0.06553 -0.14868 -0.11843 0.30090 -0.00794 215 2S -0.05778 -0.05690 -0.14522 0.13704 -0.00424 151 152 153 154 155 V V V V V Eigenvalues -- 1.83227 1.85152 1.86450 1.87795 1.91006 1 1 C 1S 0.00581 -0.02383 -0.00589 -0.00725 -0.00130 2 2S -0.03810 0.11886 -0.05277 -0.00623 -0.01547 3 2PX -0.01567 0.16745 0.04134 -0.06213 -0.05216 4 2PY 0.00417 -0.06248 -0.05843 0.05194 0.08952 5 2PZ 0.07333 -0.11548 -0.01577 0.05046 0.04391 6 3S -0.14074 1.02678 -0.02074 0.52948 0.32251 7 3PX -0.19054 0.52294 0.07656 -0.24971 -0.39730 8 3PY 0.44849 -0.51497 -0.52202 -0.52993 -1.10384 9 3PZ 0.01644 -0.55277 -0.13792 0.09644 0.34498 10 4XX -0.15966 -0.08310 -0.04763 -0.08011 0.05468 11 4YY -0.01572 0.05435 -0.01974 0.00376 0.03107 12 4ZZ 0.16771 0.05809 0.09232 0.07414 -0.07284 13 4XY 0.00741 0.07850 0.06339 0.19164 0.10968 14 4XZ -0.05879 0.20832 0.03578 -0.20220 -0.06688 15 4YZ 0.02920 -0.02178 -0.01756 -0.07365 -0.09708 16 2 C 1S -0.00409 0.00587 0.01247 -0.01313 0.00195 17 2S -0.15523 0.10783 0.31996 -0.10691 0.15885 18 2PX 0.02116 -0.10952 0.01494 -0.02783 0.02714 19 2PY -0.00644 0.02105 0.02057 -0.01464 0.05368 20 2PZ -0.05274 0.09289 0.02306 0.05122 0.07168 21 3S 0.69071 -0.68186 -2.40308 0.13218 -1.60706 22 3PX -0.30730 1.50422 -0.11064 0.76339 0.50629 23 3PY 0.05291 -0.07411 0.63625 0.93563 2.44772 24 3PZ 0.40043 -1.11449 0.17670 -0.24119 -0.43818 25 4XX 0.05717 0.08226 0.00761 0.02449 0.05557 26 4YY -0.02517 -0.04162 -0.02424 -0.02265 -0.16546 27 4ZZ -0.01956 -0.04349 0.01704 0.00310 0.13963 28 4XY -0.03476 0.30071 -0.01596 0.03926 -0.10356 29 4XZ -0.03541 0.07216 0.22106 0.04712 0.08461 30 4YZ 0.05457 -0.23820 0.00504 0.06803 -0.01532 31 3 C 1S -0.00845 0.03039 -0.01277 0.02003 0.01439 32 2S -0.07321 -0.07862 -0.23057 0.28223 0.20932 33 2PX -0.06376 0.11686 -0.04941 -0.00314 -0.04063 34 2PY 0.01927 0.07260 -0.03023 0.00274 -0.01822 35 2PZ -0.03809 -0.11472 -0.02087 0.03923 0.09749 36 3S 0.24776 -1.32175 0.55636 -1.13195 -0.79004 37 3PX 0.16377 0.17064 -0.53561 0.17209 0.48130 38 3PY -0.13416 -0.02540 -0.59342 0.20020 -0.20808 39 3PZ -0.13970 -0.28426 0.43315 -0.41296 -0.51361 40 4XX -0.17712 0.07671 0.02310 -0.04347 -0.13453 41 4YY 0.01743 -0.06179 0.00006 0.08049 0.18064 42 4ZZ 0.14321 -0.00332 0.01604 -0.05428 -0.07044 43 4XY -0.00366 -0.00050 -0.04781 0.10844 0.04549 44 4XZ 0.00365 -0.19340 0.10321 0.08849 0.22747 45 4YZ -0.09399 -0.03396 0.03819 0.05843 -0.11804 46 4 C 1S 0.00637 -0.02587 0.01367 0.01493 0.02554 47 2S 0.04988 0.11897 0.24200 0.24306 0.23715 48 2PX 0.06095 -0.11270 0.05036 -0.00883 -0.04244 49 2PY 0.02226 0.07233 -0.02813 0.00158 0.01662 50 2PZ 0.03744 0.11694 0.02151 0.04522 0.05619 51 3S -0.15802 1.16099 -0.64219 -0.98323 -0.96298 52 3PX -0.18800 -0.16066 0.49320 0.12255 0.32680 53 3PY -0.10643 -0.05105 -0.64336 -0.09948 0.04997 54 3PZ 0.15737 0.27869 -0.47413 -0.38109 -0.29438 55 4XX 0.18163 -0.06697 -0.03719 -0.05098 -0.12760 56 4YY -0.01656 0.05324 0.02524 0.08858 0.17815 57 4ZZ -0.14908 0.00869 -0.03337 -0.05174 -0.06659 58 4XY -0.01615 0.00600 -0.05775 -0.08581 -0.04274 59 4XZ -0.01073 0.20310 -0.10051 0.09403 0.22947 60 4YZ -0.09911 -0.02135 0.02173 -0.07191 0.08969 61 5 C 1S 0.00477 -0.00573 -0.01405 -0.01061 0.00104 62 2S 0.17242 -0.13927 -0.32366 -0.04570 0.11742 63 2PX -0.01788 0.10576 -0.01291 -0.02502 0.01035 64 2PY -0.00767 0.02432 0.02151 0.01307 -0.05774 65 2PZ 0.05208 -0.09331 -0.01745 0.05760 0.06125 66 3S -0.74340 0.74961 2.40576 -0.24654 -1.35233 67 3PX 0.27043 -1.44396 0.22102 0.66225 0.41264 68 3PY 0.07423 -0.00356 0.54610 -1.12018 -1.96630 69 3PZ -0.36956 1.06878 -0.18108 -0.21000 -0.49724 70 4XX -0.06038 -0.04040 -0.01064 0.01851 0.05904 71 4YY 0.03122 0.00448 0.02701 -0.01705 -0.16692 72 4ZZ 0.01553 0.04290 -0.01940 0.00349 0.13667 73 4XY -0.02561 0.30835 -0.02448 -0.03675 0.06771 74 4XZ 0.04658 -0.09822 -0.21453 0.08055 0.05547 75 4YZ 0.04735 -0.23061 0.00645 -0.07590 0.02300 76 6 C 1S -0.00563 0.02400 0.00491 -0.00749 -0.00392 77 2S 0.03885 -0.12799 0.05256 -0.00199 -0.05351 78 2PX 0.01688 -0.17439 -0.05091 -0.05392 -0.06669 79 2PY 0.00208 -0.05508 -0.05849 -0.04090 -0.08314 80 2PZ -0.07445 0.11680 0.02087 0.04809 0.03915 81 3S 0.12841 -0.99172 0.06686 0.42249 0.88503 82 3PX 0.22295 -0.54164 -0.13642 -0.23371 -0.15046 83 3PY 0.42105 -0.45487 -0.45992 0.68706 0.76068 84 3PZ -0.02135 0.55000 0.14550 0.10074 0.21045 85 4XX 0.16353 0.10335 0.02998 -0.11086 0.06057 86 4YY 0.01075 -0.06516 0.01643 0.02238 0.04508 87 4ZZ -0.16432 -0.06576 -0.07183 0.08925 -0.09007 88 4XY -0.00199 0.07772 0.03542 -0.19429 -0.10397 89 4XZ 0.06309 -0.21397 -0.06240 -0.19318 -0.04909 90 4YZ 0.02520 -0.01451 -0.00748 0.08662 0.10855 91 7 H 1S 0.03044 0.08459 -0.06470 -0.35426 -0.37227 92 2S 0.04780 0.08803 -0.05135 -0.13847 -0.31233 93 8 H 1S -0.09129 -0.00658 -0.01018 0.07214 0.07605 94 2S -0.08565 -0.05077 0.01119 -0.04723 -0.18039 95 9 H 1S 0.08247 0.04300 0.00695 0.05038 0.15932 96 2S 0.08650 0.06688 -0.01891 -0.06565 -0.06184 97 10 H 1S -0.02668 -0.08170 0.02416 -0.37092 -0.33148 98 2S -0.04450 -0.08904 0.03695 -0.16545 -0.22028 99 11 O 1S 0.00315 -0.00384 -0.02360 -0.01574 -0.05215 100 2S 0.10717 -0.07674 -0.49245 -0.25512 -0.82670 101 2PX -0.00003 0.16771 -0.01994 0.02468 -0.02898 102 2PY 0.04540 -0.02452 -0.05555 -0.01044 0.04269 103 2PZ 0.02987 -0.13167 0.01048 0.04152 0.00620 104 3S -0.30010 0.29979 1.78802 1.03359 3.45513 105 3PX 0.03277 -0.43703 0.09988 -0.09559 0.12075 106 3PY -0.12285 0.13415 0.55778 0.26129 0.91374 107 3PZ -0.09848 0.34430 -0.01960 -0.02171 0.08220 108 4XX -0.45749 -0.16031 -0.19409 -0.08282 -0.15926 109 4YY 0.02241 0.01191 -0.13335 -0.06125 -0.26386 110 4ZZ 0.49676 0.10463 0.06308 -0.00836 -0.03080 111 4XY 0.07568 -0.22003 -0.03934 -0.09232 -0.03377 112 4XZ -0.26381 0.08920 0.29253 0.04405 0.30607 113 4YZ -0.01400 0.14371 -0.07189 -0.08029 -0.02361 114 12 O 1S -0.00271 0.00396 0.02214 -0.01998 -0.04266 115 2S -0.10290 0.07370 0.47195 -0.34030 -0.66504 116 2PX 0.00136 -0.17037 0.02300 0.02073 -0.02399 117 2PY 0.04755 -0.01541 -0.05453 0.02132 -0.05146 118 2PZ -0.02777 0.13186 -0.00420 0.04405 -0.00227 119 3S 0.27780 -0.29583 -1.70072 1.34925 2.79875 120 3PX -0.03302 0.43801 -0.08085 -0.09575 0.02927 121 3PY -0.11780 0.10736 0.54162 -0.35221 -0.74283 122 3PZ 0.09104 -0.33811 0.01182 -0.02717 0.09876 123 4XX 0.47403 0.14048 0.17373 -0.11279 -0.08234 124 4YY -0.02609 0.00798 0.13501 -0.09517 -0.21917 125 4ZZ -0.50697 -0.10352 -0.05864 0.00757 -0.05992 126 4XY 0.04071 -0.23419 -0.02329 0.09397 0.03293 127 4XZ 0.26917 -0.09488 -0.28436 0.11311 0.22416 128 4YZ -0.02637 0.14782 -0.04017 0.08867 -0.01793 129 13 C 1S 0.00004 0.00074 -0.00011 0.01114 0.00252 130 2S -0.00064 0.00806 -0.03209 -0.33823 0.16820 131 2PX 0.00164 0.00279 0.01952 0.12900 -0.04279 132 2PY 0.06731 0.03105 0.26708 -0.01112 -0.05318 133 2PZ -0.00003 0.00078 -0.00635 -0.10159 0.01116 134 3S 0.00874 -0.04800 0.04516 0.17015 -0.41492 135 3PX -0.00056 0.02118 -0.01056 -0.05760 0.20746 136 3PY -0.01868 0.20942 -0.19620 0.02606 -0.05887 137 3PZ 0.00543 -0.00735 0.05320 0.47878 -0.37184 138 4XX 0.00301 -0.01061 0.02698 0.04169 -0.12246 139 4YY -0.00135 0.00855 -0.01345 0.10601 -0.06625 140 4ZZ -0.00172 0.00092 -0.01148 -0.13713 0.19661 141 4XY 0.04500 -0.05551 0.24411 -0.00648 -0.03240 142 4XZ -0.00051 0.01358 -0.01916 -0.09449 0.07328 143 4YZ 0.01684 0.17177 -0.33577 0.02214 0.00506 144 14 H 1S 0.00007 0.00363 -0.01174 -0.02274 0.05803 145 2S -0.00249 0.00356 -0.00795 -0.05509 0.02145 146 15 H 1S 0.00192 0.00314 0.01345 0.18335 -0.15970 147 2S 0.00173 -0.00029 0.01080 0.07657 -0.09996 148 16 C 1S -0.00528 -0.02459 0.01345 -0.02258 -0.00303 149 2S -0.12987 -0.13058 -0.26372 0.02726 -0.10871 150 2PX 0.00456 -0.00326 -0.07995 -0.09111 0.10862 151 2PY -0.02664 -0.03062 -0.11793 0.05798 0.00966 152 2PZ 0.01352 -0.00157 0.15280 0.22783 -0.14790 153 3S 0.61835 0.84070 0.57609 0.38148 -0.00057 154 3PX -0.07022 -0.01169 0.05108 -0.12811 -0.11879 155 3PY 0.42038 0.83944 0.67599 0.01007 -0.12838 156 3PZ 0.32393 0.20558 0.00953 -0.28709 0.10931 157 4XX -0.01731 -0.01133 0.00688 0.08764 -0.03073 158 4YY -0.03490 -0.05067 0.08533 0.05374 -0.03009 159 4ZZ 0.03971 0.02843 -0.03938 -0.13012 0.05478 160 4XY 0.05461 -0.06452 0.18346 0.05067 -0.02995 161 4XZ -0.04011 0.00611 -0.02371 0.04197 -0.02359 162 4YZ 0.03141 0.05831 -0.25003 -0.23605 0.16414 163 17 H 1S 0.05088 0.09291 0.15033 -0.00865 -0.06917 164 2S 0.13956 0.26241 0.14636 -0.02778 -0.00664 165 18 C 1S 0.01009 0.00967 0.00126 0.00895 -0.00971 166 2S 0.18141 -0.00122 0.31680 0.16340 -0.33391 167 2PX -0.01839 -0.00522 0.08039 0.03155 0.01527 168 2PY -0.00438 -0.02234 0.11085 -0.09658 0.05558 169 2PZ -0.00433 0.06349 -0.12581 -0.06332 0.10513 170 3S -1.17050 -1.03060 -1.39741 -0.27037 0.70607 171 3PX -0.15284 -0.23949 -0.37741 -0.05498 0.02861 172 3PY -0.33870 -0.49029 -0.79392 0.12005 0.11399 173 3PZ 0.56546 0.44086 0.69027 0.27007 -0.35896 174 4XX -0.05970 0.01780 0.02181 0.12520 -0.07018 175 4YY -0.00756 -0.02867 0.09966 0.15131 -0.03614 176 4ZZ 0.03677 -0.00306 -0.11080 -0.27232 0.12237 177 4XY -0.00516 0.00361 -0.01012 0.00274 0.02508 178 4XZ -0.02358 -0.02597 0.08889 0.14829 -0.03889 179 4YZ 0.02582 0.00301 0.05716 -0.23027 0.11595 180 19 H 1S -0.03404 -0.08615 -0.00940 -0.04615 0.00031 181 2S -0.14506 -0.13812 -0.30018 -0.00385 0.07263 182 20 C 1S 0.00605 0.02255 -0.01538 -0.01767 -0.01508 183 2S 0.13305 0.12169 0.26701 0.04550 -0.37851 184 2PX -0.00650 -0.00300 0.06275 -0.09727 0.09112 185 2PY -0.02678 -0.03251 -0.13002 -0.04696 0.04734 186 2PZ -0.01570 0.01144 -0.11995 0.23492 -0.09862 187 3S -0.64693 -0.76102 -0.56056 0.25451 0.91133 188 3PX 0.10382 0.05644 -0.03137 -0.10328 -0.19224 189 3PY 0.42076 0.79929 0.69326 0.02562 -0.50257 190 3PZ -0.31891 -0.22585 -0.06077 -0.29564 0.22074 191 4XX 0.02433 0.01331 0.02597 0.07641 -0.03054 192 4YY 0.02552 0.05287 -0.10041 0.07794 -0.05533 193 4ZZ -0.03826 -0.03068 0.02500 -0.13578 0.08628 194 4XY 0.05338 -0.06714 0.17288 -0.05978 -0.03379 195 4XZ 0.03979 0.00694 0.02242 0.06075 -0.04863 196 4YZ 0.02991 0.06112 -0.21429 0.26028 -0.14487 197 21 H 1S -0.04445 -0.08879 -0.14832 0.00009 0.01496 198 2S -0.14264 -0.25848 -0.15603 -0.03382 0.13421 199 22 C 1S -0.00989 -0.00905 0.00033 0.00757 -0.00207 200 2S -0.18369 0.01492 -0.28378 0.16149 -0.17089 201 2PX 0.01956 -0.00101 -0.06405 0.05169 -0.00502 202 2PY -0.00633 -0.02329 0.12709 0.08019 -0.06692 203 2PZ 0.00196 -0.06111 0.10982 -0.07459 0.10037 204 3S 1.17577 1.00466 1.36216 -0.20915 -0.45408 205 3PX 0.13084 0.21031 0.31162 -0.09329 -0.07647 206 3PY -0.35080 -0.50040 -0.83113 -0.09384 0.32731 207 3PZ -0.57358 -0.42245 -0.65602 0.25518 0.14532 208 4XX 0.06527 -0.00010 -0.00496 0.12698 -0.09135 209 4YY 0.00651 0.02718 -0.07761 0.16075 -0.02803 210 4ZZ -0.04018 -0.01174 0.07251 -0.27625 0.11163 211 4XY -0.00564 0.00380 -0.01071 0.00348 -0.02494 212 4XZ 0.02345 0.02046 -0.05708 0.18073 -0.06592 213 4YZ 0.01660 0.01626 0.08427 0.21540 -0.13999 214 23 H 1S 0.04324 0.07687 0.01223 -0.04602 -0.01265 215 2S 0.14500 0.14093 0.29748 -0.01599 -0.08076 156 157 158 159 160 V V V V V Eigenvalues -- 1.91574 1.92386 1.92751 1.95211 1.98936 1 1 C 1S 0.01259 0.00204 0.02111 0.00973 0.01286 2 2S -0.09318 0.04447 0.22132 0.16161 0.17846 3 2PX 0.04635 0.04119 -0.03005 0.05885 -0.03114 4 2PY -0.01058 -0.01735 0.05238 -0.00436 0.11973 5 2PZ -0.06014 0.01850 0.01424 -0.00248 0.01580 6 3S -0.30829 -1.44998 -1.28830 -0.73398 -2.03419 7 3PX -0.06877 -0.46366 -0.50282 -0.14024 -0.36707 8 3PY 0.06258 -0.81176 -0.38259 0.23457 -1.15430 9 3PZ -0.01129 0.30187 0.31424 0.17333 0.23976 10 4XX -0.23289 -0.03710 -0.10290 0.08817 -0.09932 11 4YY 0.16573 0.01399 -0.06760 -0.00697 0.02620 12 4ZZ 0.04203 -0.00030 0.19763 -0.08624 0.06059 13 4XY -0.25088 -0.00641 0.07750 -0.08352 -0.11423 14 4XZ 0.26682 -0.10806 0.14163 0.16512 0.14002 15 4YZ 0.28300 0.02670 0.04440 -0.03357 0.05453 16 2 C 1S 0.01607 0.00647 -0.01311 0.00923 0.01140 17 2S -0.28450 0.16293 -0.17289 0.08309 -0.12791 18 2PX 0.02277 0.01764 0.06118 0.01070 0.03904 19 2PY -0.04866 -0.03553 0.01495 0.02675 0.11560 20 2PZ -0.03209 0.01398 0.03357 -0.04423 0.02469 21 3S -0.08777 -0.72434 0.59443 -0.74781 0.43167 22 3PX 0.22241 -0.36061 0.27806 -0.86374 0.35863 23 3PY 0.92904 0.66164 1.74553 0.47422 1.83963 24 3PZ 0.20686 0.27921 0.19191 0.43514 -0.18783 25 4XX 0.18366 -0.02774 0.09299 0.03881 0.15297 26 4YY -0.23195 0.07444 -0.14561 -0.04128 -0.42121 27 4ZZ 0.11991 -0.09144 0.15894 0.05035 0.33258 28 4XY 0.04729 -0.05291 -0.01136 -0.10606 -0.06083 29 4XZ -0.11326 0.04348 0.09285 0.15483 0.04009 30 4YZ 0.01599 0.03694 0.07096 -0.05673 -0.03465 31 3 C 1S 0.02523 -0.05268 0.01697 -0.03086 0.02189 32 2S -0.00899 -0.36429 0.51165 -0.28567 0.44113 33 2PX 0.08552 0.01635 0.01712 -0.08274 0.00323 34 2PY 0.06544 -0.02792 0.04356 0.04858 0.14328 35 2PZ -0.05151 0.10260 0.10625 -0.01060 0.07166 36 3S -0.41941 1.48612 -1.16327 1.46208 -2.46278 37 3PX -0.08348 0.29876 0.44185 0.10961 0.83464 38 3PY -0.13488 -0.32403 -0.03631 -0.73001 -1.00839 39 3PZ -0.13718 -0.38836 -0.79640 0.23278 -0.68249 40 4XX 0.07840 -0.06032 0.09336 -0.06735 -0.02501 41 4YY 0.06780 0.03981 -0.03251 -0.12245 -0.05026 42 4ZZ -0.10493 0.00267 -0.07553 0.23647 0.03538 43 4XY 0.12927 -0.06040 -0.05034 -0.06549 0.26373 44 4XZ 0.00527 -0.10264 0.17436 0.08628 0.28861 45 4YZ -0.05682 -0.04419 0.08685 -0.05093 -0.12085 46 4 C 1S 0.02496 0.02420 0.04246 -0.02841 -0.02498 47 2S -0.01103 -0.09393 0.57182 -0.27958 -0.39105 48 2PX 0.08256 -0.00628 0.00560 -0.08629 -0.03200 49 2PY -0.07208 0.01394 -0.05266 -0.04915 0.05309 50 2PZ -0.05547 -0.16096 0.00760 -0.00757 -0.02898 51 3S -0.41705 -0.21451 -1.59198 1.43920 2.58663 52 3PX -0.08670 -0.62008 0.09178 0.18923 -0.91923 53 3PY 0.12675 -0.26192 -0.25384 0.69263 -0.80157 54 3PZ -0.12271 0.87092 -0.28037 0.22368 0.73175 55 4XX 0.06730 -0.01723 0.11360 -0.05592 0.27882 56 4YY 0.07944 -0.03187 -0.06084 -0.12553 -0.13461 57 4ZZ -0.10828 0.07081 -0.04941 0.23460 -0.08344 58 4XY -0.12601 -0.06786 -0.00520 0.05187 0.18342 59 4XZ -0.00227 -0.09382 0.17090 0.10621 -0.27539 60 4YZ 0.05103 -0.02677 -0.12262 0.05435 0.01745 61 5 C 1S 0.01594 0.00122 -0.01414 0.01037 -0.00435 62 2S -0.27955 -0.05020 -0.23051 0.09776 0.04650 63 2PX 0.02257 -0.05850 0.03017 0.01159 -0.06703 64 2PY 0.04795 -0.01118 -0.03774 -0.03965 0.20639 65 2PZ -0.02937 -0.04980 0.01088 -0.04182 0.00830 66 3S -0.09021 0.62432 1.00556 -0.76826 -0.52336 67 3PX 0.19253 0.10549 0.34753 -0.86567 -0.13597 68 3PY -0.88691 2.14302 -0.64879 -0.39268 2.02903 69 3PZ 0.18295 -0.20089 -0.00355 0.39677 0.23243 70 4XX 0.17330 -0.05626 0.07451 0.05594 -0.21108 71 4YY -0.21689 0.08147 -0.13575 -0.07143 0.49341 72 4ZZ 0.11330 -0.06310 0.16662 0.06147 -0.35604 73 4XY -0.08416 -0.06031 -0.05198 0.09802 -0.03596 74 4XZ -0.11212 -0.09255 0.03770 0.15013 -0.04600 75 4YZ -0.00498 0.07473 -0.03152 0.05184 -0.05937 76 6 C 1S 0.01199 -0.01397 0.01437 0.00939 -0.01809 77 2S -0.09225 -0.14472 0.14462 0.16260 -0.25260 78 2PX 0.05127 0.00476 -0.04457 0.05835 0.02630 79 2PY 0.01094 0.04348 -0.03864 -0.00864 0.10434 80 2PZ -0.06334 -0.03047 -0.00487 -0.00140 -0.01412 81 3S -0.24772 1.70837 -0.01438 -0.69383 2.26274 82 3PX -0.05639 0.64351 -0.04817 -0.11682 0.35123 83 3PY -0.07033 -1.14092 -0.34945 -0.21800 -1.09679 84 3PZ -0.02460 -0.47720 0.00020 0.14508 -0.32705 85 4XX -0.20447 0.07909 -0.06323 0.09391 0.05676 86 4YY 0.13505 0.01839 -0.05687 -0.01149 -0.03596 87 4ZZ 0.04474 -0.10391 0.15491 -0.08742 0.00543 88 4XY 0.27553 0.05044 -0.06134 0.08221 -0.12430 89 4XZ 0.24857 0.01058 0.18314 0.17474 -0.26070 90 4YZ -0.29836 0.03606 -0.03150 0.01811 0.02749 91 7 H 1S 0.41959 -0.10743 0.01178 0.12574 0.11293 92 2S -0.06830 -0.22652 -0.10660 0.00177 -0.16999 93 8 H 1S 0.10510 -0.30203 -0.04087 -0.22115 0.12627 94 2S 0.01477 -0.35618 -0.14462 -0.13854 -0.26165 95 9 H 1S 0.10332 0.20557 0.14247 -0.20369 -0.03016 96 2S 0.02349 0.38860 0.13449 -0.15212 0.21116 97 10 H 1S 0.41879 0.14805 0.10712 0.13813 -0.16050 98 2S -0.06433 0.30493 0.10002 0.00997 0.17246 99 11 O 1S -0.01876 -0.01440 -0.02281 -0.00756 -0.02421 100 2S -0.18066 -0.23062 -0.44583 -0.17922 -0.11053 101 2PX 0.05882 -0.03407 0.01899 -0.05778 0.03885 102 2PY 0.14281 -0.06571 0.04561 0.02887 0.29656 103 2PZ 0.02825 0.01496 0.06295 -0.03847 0.00710 104 3S 1.05249 0.92219 1.78527 0.73460 1.42383 105 3PX -0.06759 0.13630 0.01681 0.22807 -0.01019 106 3PY 0.22193 0.25858 0.43689 0.18307 0.22093 107 3PZ -0.05380 -0.06288 -0.10778 0.01737 0.03729 108 4XX -0.03045 -0.24709 0.05960 -0.00044 0.06106 109 4YY -0.09023 -0.05611 -0.16241 -0.08732 -0.06253 110 4ZZ 0.04134 0.13912 -0.08799 0.02683 -0.01627 111 4XY -0.06156 0.06321 -0.05611 0.12956 -0.03298 112 4XZ 0.20281 0.37059 -0.36616 -0.01865 0.07621 113 4YZ -0.09344 -0.06411 -0.11230 0.07001 -0.02005 114 12 O 1S -0.01789 0.03748 -0.00315 -0.00766 0.02827 115 2S -0.17120 0.65247 -0.11232 -0.16270 0.14314 116 2PX 0.05230 0.01970 0.03473 -0.05751 -0.01520 117 2PY -0.14114 -0.01489 -0.07298 -0.03923 0.34433 118 2PZ 0.02531 -0.05321 0.03540 -0.04009 0.01763 119 3S 0.99806 -2.63538 0.42778 0.70915 -1.63018 120 3PX -0.09118 -0.09599 -0.09100 0.21030 -0.00710 121 3PY -0.20553 0.69782 -0.07583 -0.18778 0.26415 122 3PZ -0.04674 0.09326 -0.04499 0.02462 -0.08764 123 4XX -0.02085 0.18728 0.21954 -0.01783 -0.06416 124 4YY -0.09275 0.20829 -0.06889 -0.06797 0.08401 125 4ZZ 0.03881 -0.04362 -0.14894 0.03387 0.00696 126 4XY 0.06192 0.00566 0.06037 -0.13369 -0.02307 127 4XZ 0.20645 -0.13882 -0.53938 -0.01954 0.00389 128 4YZ 0.07842 -0.12010 0.07286 -0.06988 0.07883 129 13 C 1S 0.00403 -0.00255 0.01077 0.02093 0.00249 130 2S -0.02503 -0.07387 0.09240 -0.21013 0.02957 131 2PX 0.04312 -0.00229 0.00432 0.03414 -0.00458 132 2PY -0.00827 -0.36686 -0.13087 0.01219 -0.04306 133 2PZ -0.02044 -0.00078 -0.01504 -0.06073 0.00141 134 3S -0.40217 0.20672 -0.48484 0.35860 -0.11303 135 3PX 0.07935 -0.11718 0.18437 -0.44007 -0.06542 136 3PY -0.00661 -0.29017 -0.11534 0.01714 -0.03806 137 3PZ -0.19676 0.06649 -0.09799 -0.05330 0.00528 138 4XX -0.05049 0.02402 -0.05463 -0.22084 -0.03602 139 4YY 0.03111 0.02695 0.02790 0.35146 0.09593 140 4ZZ 0.01308 -0.04450 0.01467 -0.10240 -0.07848 141 4XY -0.00247 -0.23522 -0.08208 0.03967 -0.12082 142 4XZ 0.08482 -0.00434 -0.01087 -0.23806 -0.07366 143 4YZ -0.00458 0.07880 0.02515 0.00615 -0.02035 144 14 H 1S 0.03346 -0.02458 0.05558 0.32625 0.07419 145 2S 0.03011 0.00685 -0.01657 -0.00281 0.00756 146 15 H 1S -0.01767 0.01455 0.04862 0.02608 0.05601 147 2S -0.02041 0.01774 -0.04747 -0.07307 0.02511 148 16 C 1S -0.01558 0.04321 -0.00245 0.02180 0.00418 149 2S -0.09341 1.02846 0.05346 0.19935 0.00774 150 2PX -0.01063 0.04614 0.04136 -0.09481 0.01402 151 2PY 0.02684 0.21132 0.06801 -0.05599 0.03514 152 2PZ 0.04561 -0.11461 -0.09554 0.05697 -0.09348 153 3S 0.60568 -3.28237 -0.31214 -0.90648 -0.31371 154 3PX -0.08666 0.25121 -0.11765 0.36116 -0.03881 155 3PY 0.27381 -2.16990 -0.68831 0.00492 -0.27348 156 3PZ 0.07277 -0.41929 -0.13273 0.13601 0.08344 157 4XX 0.04424 -0.01439 -0.03682 -0.00545 -0.01029 158 4YY -0.04984 0.13416 0.00214 0.13172 -0.06395 159 4ZZ 0.00744 -0.15750 0.03670 -0.12398 0.07266 160 4XY 0.04130 -0.18879 -0.09058 0.18740 -0.03174 161 4XZ 0.07923 0.06089 -0.00991 -0.19866 -0.14053 162 4YZ -0.05220 0.05040 -0.05181 -0.00044 0.02058 163 17 H 1S 0.05312 -0.28940 -0.14161 0.05235 -0.00302 164 2S 0.06100 -0.46013 -0.19857 0.09808 -0.08266 165 18 C 1S 0.00631 -0.02343 -0.00867 -0.01928 -0.00907 166 2S 0.13836 -0.46584 -0.27657 -0.15923 -0.17101 167 2PX -0.04423 0.04343 0.00795 -0.01300 -0.00413 168 2PY -0.02656 -0.06362 -0.04653 -0.10852 0.05223 169 2PZ 0.00358 -0.02821 0.06397 0.03657 0.08410 170 3S -0.41858 3.92746 1.11792 0.36081 0.65347 171 3PX 0.03518 0.42094 0.23206 -0.08382 0.08795 172 3PY 0.09455 1.42098 0.80638 -0.14238 0.32256 173 3PZ 0.18943 -1.59000 -0.70743 -0.00927 -0.34035 174 4XX -0.01268 0.08621 0.00035 -0.21570 -0.05516 175 4YY 0.07774 -0.00326 -0.01219 0.20187 0.00492 176 4ZZ -0.09200 -0.00534 0.04117 -0.06691 0.04099 177 4XY 0.02721 0.01004 -0.05704 0.08850 -0.02825 178 4XZ 0.01991 0.05913 0.05241 -0.14548 -0.09082 179 4YZ -0.06117 -0.14798 0.00546 -0.14787 0.08011 180 19 H 1S -0.02695 0.00866 0.11813 -0.25720 0.01354 181 2S 0.06695 0.45565 0.34735 -0.02006 0.15362 182 20 C 1S -0.01647 -0.03184 -0.02873 0.02278 0.00769 183 2S -0.11998 -0.76056 -0.57992 0.25145 -0.10917 184 2PX -0.01400 -0.08321 -0.00148 -0.08604 -0.03146 185 2PY -0.01713 0.20219 0.08375 0.04522 0.11385 186 2PZ 0.05113 0.19546 0.02073 0.04177 0.05337 187 3S 0.69696 2.66679 1.80860 -1.10378 0.21791 188 3PX -0.10914 -0.21310 -0.27081 0.37919 0.10386 189 3PY -0.35711 -2.08516 -0.84842 0.14338 -0.33424 190 3PZ 0.09960 0.38754 0.16274 0.07196 -0.05432 191 4XX 0.03907 0.01758 -0.02905 -0.02816 -0.01106 192 4YY -0.04607 -0.06288 -0.06170 0.15449 0.08762 193 4ZZ 0.01011 0.07056 0.11415 -0.12742 -0.05164 194 4XY -0.05411 -0.22263 -0.05662 -0.16165 -0.01096 195 4XZ 0.08004 -0.03791 -0.03707 -0.20064 0.01664 196 4YZ 0.04850 0.07185 0.08802 0.00925 0.04288 197 21 H 1S 0.06715 0.32459 0.07512 0.02531 0.00669 198 2S 0.08635 0.47758 0.14858 0.05418 0.10865 199 22 C 1S 0.00716 0.02507 0.00962 -0.02184 0.00687 200 2S 0.15018 0.59750 0.11283 -0.21925 0.11551 201 2PX -0.04062 -0.04524 -0.02048 -0.00502 -0.00681 202 2PY 0.02780 -0.05106 0.01089 0.11251 0.05615 203 2PZ 0.00368 -0.04346 0.05524 0.04488 -0.04594 204 3S -0.55653 -3.79285 -1.72496 0.75433 -0.62086 205 3PX -0.00240 -0.36407 -0.09308 -0.02035 -0.00636 206 3PY -0.03202 1.57620 0.32675 -0.02098 0.29096 207 3PZ 0.25556 1.72590 0.52234 -0.18105 0.22435 208 4XX -0.01750 -0.05675 -0.04130 -0.21658 0.03693 209 4YY 0.08107 0.04571 -0.00476 0.20809 -0.04043 210 4ZZ -0.09160 -0.07195 0.01758 -0.06580 0.01643 211 4XY -0.01948 -0.02312 0.05600 -0.05502 0.01174 212 4XZ 0.02658 -0.04844 0.00477 -0.13675 -0.01357 213 4YZ 0.05674 -0.05732 -0.07477 0.16281 0.04656 214 23 H 1S -0.03138 -0.08365 0.07246 -0.24579 -0.00109 215 2S 0.04007 -0.56625 -0.04292 0.03721 -0.09408 161 162 163 164 165 V V V V V Eigenvalues -- 1.99320 2.02329 2.03763 2.05615 2.08490 1 1 C 1S -0.01274 0.00460 -0.00008 -0.01727 -0.00498 2 2S -0.19381 -0.05396 0.02432 -0.37789 -0.21896 3 2PX -0.01775 -0.04026 0.03076 -0.11810 -0.08288 4 2PY -0.00615 -0.00811 0.01532 -0.22746 0.06245 5 2PZ 0.00161 0.03427 -0.00113 0.08689 0.06176 6 3S 0.97885 -0.98358 -0.20490 -0.22026 0.46988 7 3PX 0.15109 -0.45825 -0.05363 0.11250 0.50259 8 3PY 0.07059 -0.31064 -0.00550 0.76943 0.02542 9 3PZ -0.20142 0.17621 0.01026 -0.08890 0.04617 10 4XX -0.02933 -0.18399 0.01124 -0.32760 0.36846 11 4YY -0.05070 -0.00207 -0.02081 0.44283 0.04687 12 4ZZ 0.11088 0.18682 0.02093 -0.26271 -0.38793 13 4XY 0.03712 -0.01575 -0.07011 0.20123 0.04652 14 4XZ -0.27632 -0.08572 -0.04227 -0.01480 -0.02888 15 4YZ 0.06855 -0.03975 0.05661 -0.10960 0.12262 16 2 C 1S 0.00736 -0.00659 0.01056 -0.00787 0.00042 17 2S -0.14654 -0.03420 -0.02249 0.13439 -0.02647 18 2PX -0.08338 0.08844 -0.02553 -0.04950 -0.01742 19 2PY -0.20037 -0.07673 -0.11010 0.16621 -0.06305 20 2PZ 0.05667 0.02033 -0.01331 0.05062 -0.06804 21 3S -0.19610 0.05054 -0.67573 0.32285 -0.78465 22 3PX 0.20209 -0.09098 -0.38083 -0.53008 -0.38140 23 3PY -0.65382 1.25351 0.28703 -0.55037 0.33387 24 3PZ 0.06861 0.52234 0.34608 0.41321 -0.27600 25 4XX -0.12907 -0.03014 -0.02936 -0.03548 0.06793 26 4YY 0.23613 0.07338 0.06045 -0.07075 0.01758 27 4ZZ -0.13734 -0.02668 -0.02562 0.08666 -0.12914 28 4XY 0.07172 -0.01208 0.01089 -0.00146 -0.05918 29 4XZ -0.03210 0.02214 0.08232 -0.07742 -0.19501 30 4YZ 0.06062 0.06862 0.00070 0.01801 -0.00761 31 3 C 1S -0.00577 0.02428 -0.01969 -0.00510 -0.02174 32 2S 0.00094 0.40773 0.30355 0.10681 -0.34311 33 2PX -0.04357 -0.02255 0.06977 -0.04036 -0.01193 34 2PY 0.11535 -0.06540 0.21267 0.02707 0.11612 35 2PZ 0.05888 0.08534 0.06802 0.04498 -0.08345 36 3S 0.59217 -2.07498 0.67967 0.47221 0.97482 37 3PX -0.29922 -0.09443 -0.18868 0.01413 0.23772 38 3PY 0.06286 -1.12400 -0.67121 -0.10706 -0.15991 39 3PZ 0.18111 -0.89349 0.13518 -0.02294 0.30374 40 4XX 0.42944 0.13379 0.10940 0.00555 -0.19795 41 4YY -0.25530 -0.02779 -0.37515 -0.09698 0.08935 42 4ZZ -0.12953 -0.14158 0.26401 0.08041 0.13039 43 4XY 0.01336 -0.06746 0.09207 -0.03615 0.03414 44 4XZ -0.05484 -0.09256 0.08034 0.05501 -0.05771 45 4YZ -0.19053 0.08185 -0.08273 0.05698 -0.14013 46 4 C 1S 0.00784 -0.02460 -0.01628 -0.00468 0.02024 47 2S 0.21534 -0.39502 0.33193 0.12192 0.35474 48 2PX -0.05112 0.01499 0.05307 -0.04360 0.00984 49 2PY -0.17392 -0.07844 -0.20685 -0.02679 0.11092 50 2PZ 0.08485 -0.08414 0.06852 0.04840 0.08662 51 3S -0.69824 2.07615 0.53611 0.37314 -0.91816 52 3PX 0.19813 0.03891 -0.18428 0.03978 -0.22966 53 3PY 0.36446 -1.09659 0.71451 0.19420 -0.09502 54 3PZ -0.16035 0.89169 0.14220 -0.06144 -0.32759 55 4XX 0.33615 -0.13990 0.10200 0.00443 0.19530 56 4YY -0.21695 0.01688 -0.36997 -0.09555 -0.10249 57 4ZZ -0.09864 0.15841 0.26580 0.07643 -0.11767 58 4XY -0.18981 -0.06591 -0.12781 0.02658 0.00949 59 4XZ 0.13933 0.09704 0.08801 0.04945 0.04336 60 4YZ 0.22810 0.07074 0.07112 -0.05499 -0.15186 61 5 C 1S 0.01401 0.00692 0.01071 -0.00804 -0.00020 62 2S -0.16211 0.04122 -0.00504 0.13582 0.03461 63 2PX -0.04270 -0.09621 -0.01531 -0.05045 0.01533 64 2PY 0.09149 -0.07112 0.10788 -0.15621 -0.06495 65 2PZ 0.06242 -0.01651 -0.01175 0.04890 0.06886 66 3S 0.00885 -0.08648 -0.72246 0.26066 0.74080 67 3PX 0.37842 0.15402 -0.39312 -0.53254 0.33388 68 3PY -0.27457 1.23224 -0.24062 0.46510 0.23464 69 3PZ -0.09665 -0.52236 0.34375 0.43330 0.32239 70 4XX -0.02563 0.02176 -0.03559 -0.03853 -0.07810 71 4YY -0.04295 -0.07108 0.06115 -0.07185 -0.01302 72 4ZZ 0.07417 0.03038 -0.02224 0.08843 0.13646 73 4XY -0.03216 -0.02242 -0.00382 0.00734 -0.05243 74 4XZ -0.00760 -0.02419 0.08616 -0.08951 0.19877 75 4YZ -0.02413 0.07198 -0.00502 -0.01551 -0.02314 76 6 C 1S -0.00496 -0.00586 -0.00042 -0.01707 0.00515 77 2S -0.07443 0.03296 0.02122 -0.39350 0.21379 78 2PX -0.03302 0.03579 0.03021 -0.11314 0.08246 79 2PY -0.05997 -0.00236 -0.01612 0.23091 0.05928 80 2PZ 0.00597 -0.03136 -0.00248 0.09198 -0.05941 81 3S -0.04021 0.99923 -0.16437 -0.27698 -0.52373 82 3PX 0.05619 0.44395 -0.03418 0.06272 -0.51473 83 3PY 0.47750 -0.35063 -0.00270 -0.74205 0.03768 84 3PZ -0.11483 -0.17882 -0.00886 -0.07649 -0.03089 85 4XX -0.07315 0.17039 0.01517 -0.34138 -0.36970 86 4YY -0.03122 0.02270 -0.02951 0.46317 -0.04125 87 4ZZ 0.12588 -0.19974 0.02631 -0.26792 0.38041 88 4XY 0.03646 -0.03072 0.06947 -0.13971 0.06665 89 4XZ -0.14516 0.07670 -0.04139 -0.01480 0.04278 90 4YZ -0.07791 -0.04534 -0.05004 0.10668 0.12441 91 7 H 1S -0.14230 -0.07112 0.03089 0.00897 -0.01616 92 2S 0.02523 -0.10784 -0.01373 0.18265 0.08074 93 8 H 1S 0.17617 -0.09043 -0.06940 -0.08664 -0.10449 94 2S -0.02218 -0.17370 -0.05011 -0.04896 -0.03892 95 9 H 1S 0.24155 0.07957 -0.05441 -0.09206 0.07920 96 2S -0.14375 0.17062 -0.03622 -0.06225 0.02788 97 10 H 1S -0.03800 0.06820 0.03519 0.00486 0.01878 98 2S -0.03907 0.11037 -0.00715 0.17977 -0.08124 99 11 O 1S 0.01170 -0.01413 -0.00118 0.00309 -0.00791 100 2S 0.04150 -0.36878 -0.14556 0.23213 -0.14572 101 2PX -0.00558 -0.01732 -0.02830 -0.03275 -0.04882 102 2PY -0.17055 -0.08259 -0.06263 0.08031 -0.00910 103 2PZ 0.04405 0.05840 0.00710 0.04584 -0.06425 104 3S -0.59660 1.29266 0.44950 -0.69702 0.58655 105 3PX -0.07343 0.06927 0.10011 0.12023 0.16570 106 3PY -0.09503 0.33944 0.13598 -0.20462 0.14768 107 3PZ -0.09658 -0.16451 -0.05159 -0.14251 0.17806 108 4XX -0.01720 -0.00685 -0.00493 0.09224 -0.08889 109 4YY 0.03502 -0.10429 -0.06633 0.05718 -0.06669 110 4ZZ -0.02150 -0.07031 0.01983 -0.06742 0.08144 111 4XY -0.00810 -0.03668 0.11054 0.26054 0.12037 112 4XZ 0.12317 0.06021 0.06378 -0.03052 0.27969 113 4YZ -0.17530 -0.21269 -0.05565 -0.20549 0.20605 114 12 O 1S -0.00111 0.01355 -0.00102 0.00138 0.00652 115 2S 0.02261 0.36587 -0.14993 0.19513 0.12305 116 2PX 0.01860 0.01178 -0.02537 -0.04226 0.04592 117 2PY -0.03113 -0.08302 0.06685 -0.07533 -0.01163 118 2PZ 0.03784 -0.05768 0.00809 0.04663 0.06679 119 3S 0.09777 -1.26955 0.45277 -0.55239 -0.49003 120 3PX -0.08269 -0.04399 0.09177 0.14696 -0.13979 121 3PY 0.00638 0.33645 -0.14705 0.15876 0.13218 122 3PZ -0.05042 0.16366 -0.05275 -0.14459 -0.18752 123 4XX 0.03479 -0.00087 -0.00970 0.06249 0.09950 124 4YY 0.00780 0.10826 -0.05549 0.07420 0.04645 125 4ZZ -0.02754 0.06995 0.01313 -0.07131 -0.08349 126 4XY 0.03157 -0.04406 -0.11527 -0.26218 0.10121 127 4XZ 0.13583 -0.06248 0.05987 0.00452 -0.26698 128 4YZ 0.14242 -0.19906 0.05714 0.21083 0.23366 129 13 C 1S 0.00985 -0.00250 -0.06056 -0.00126 -0.00109 130 2S 0.11862 0.00114 -0.67210 0.22085 0.00667 131 2PX -0.00077 -0.00496 0.04389 -0.09318 -0.00514 132 2PY 0.00709 0.15280 -0.00793 -0.00213 0.04632 133 2PZ 0.00107 0.00442 -0.03501 0.06291 0.00335 134 3S -0.54735 0.09153 2.81388 0.01935 0.02396 135 3PX -0.13931 0.01718 -1.08929 0.24066 0.03191 136 3PY 0.01047 0.01300 0.02792 -0.01047 -0.14294 137 3PZ 0.00311 0.03631 0.08570 0.01981 0.03583 138 4XX -0.07803 -0.01619 0.08981 -0.03024 0.00429 139 4YY 0.25994 0.00619 -0.39582 0.02333 0.00406 140 4ZZ -0.24275 0.00737 0.33210 -0.01595 -0.01095 141 4XY 0.04467 -0.12167 -0.01947 0.00277 0.01579 142 4XZ -0.21087 0.02243 -0.13917 0.13344 0.01744 143 4YZ 0.01553 0.20296 -0.00425 -0.01830 0.04147 144 14 H 1S 0.22858 -0.01769 -0.08034 -0.07987 -0.02103 145 2S 0.02714 -0.01387 0.08077 -0.06719 -0.01455 146 15 H 1S 0.18530 -0.00403 -0.53690 0.03961 0.01564 147 2S 0.09605 0.00492 -0.05741 -0.01414 0.00578 148 16 C 1S 0.01588 -0.05032 0.01976 0.00720 0.00572 149 2S -0.21998 -0.44571 0.46107 0.13887 0.01569 150 2PX -0.03816 0.07025 -0.03361 0.01349 0.04694 151 2PY -0.13690 0.03812 0.07189 0.04995 0.00172 152 2PZ -0.04097 -0.12798 -0.03873 -0.00035 -0.03707 153 3S 0.09680 1.23997 -1.68466 -0.31648 -0.35046 154 3PX 0.13772 -0.51138 0.08209 -0.02595 -0.01235 155 3PY 0.20882 0.99825 -0.93093 -0.25211 0.30460 156 3PZ -0.00723 0.55260 0.26419 -0.09582 0.29942 157 4XX -0.02509 0.07798 -0.01857 -0.07893 0.02537 158 4YY 0.04414 -0.41414 0.04977 0.00172 -0.19173 159 4ZZ 0.02711 0.26979 -0.05811 0.08061 0.13498 160 4XY -0.01323 0.05776 0.00998 -0.10513 0.06405 161 4XZ -0.15271 -0.18930 0.14499 0.03596 -0.12627 162 4YZ -0.05464 0.05778 0.04964 -0.06366 0.05677 163 17 H 1S 0.00621 0.35467 -0.04399 -0.00877 0.22552 164 2S 0.06377 0.26917 -0.15938 -0.09772 0.13727 165 18 C 1S 0.00123 0.00404 -0.00668 -0.01296 0.00353 166 2S -0.02938 -0.28583 0.03909 -0.08593 -0.11067 167 2PX -0.02434 -0.05012 0.05756 -0.04702 -0.00496 168 2PY -0.00904 0.10798 -0.06021 -0.04330 0.09198 169 2PZ 0.03809 0.26164 -0.13148 0.04850 0.10793 170 3S -0.16411 -0.47902 0.27205 0.25604 -0.24350 171 3PX 0.08136 0.10535 -0.05620 0.10510 -0.06973 172 3PY -0.02935 0.19628 0.24921 0.11929 -0.28524 173 3PZ -0.08570 -0.03317 -0.26431 -0.21487 -0.05087 174 4XX 0.00070 -0.05242 -0.13237 -0.11893 -0.03285 175 4YY -0.06990 -0.01050 0.03924 0.02210 0.01963 176 4ZZ 0.08873 0.04542 0.06595 0.05477 0.01781 177 4XY -0.07569 0.08196 -0.01861 0.05444 -0.01708 178 4XZ -0.13881 -0.01598 0.33845 -0.04426 -0.04901 179 4YZ 0.04445 0.21326 0.07403 -0.09052 0.09769 180 19 H 1S 0.03606 0.13962 0.15758 -0.07475 0.01848 181 2S 0.05514 0.09411 0.04538 0.11196 -0.07108 182 20 C 1S 0.01328 0.05161 0.01366 0.00337 -0.00631 183 2S -0.20958 0.50195 0.39091 0.10311 -0.00756 184 2PX -0.01788 -0.07034 -0.03300 0.01666 -0.03933 185 2PY 0.10951 0.02916 -0.05850 -0.05113 -0.00084 186 2PZ -0.08323 0.13282 -0.03515 -0.00880 0.04361 187 3S -0.00245 -1.35687 -1.45375 -0.21772 0.33191 188 3PX 0.09499 0.53411 0.09834 -0.04445 -0.01370 189 3PY -0.11534 1.03110 0.79784 0.16864 0.31303 190 3PZ 0.04992 -0.57442 0.29809 -0.03992 -0.31132 191 4XX -0.03278 -0.07841 -0.01748 -0.05902 -0.02905 192 4YY -0.00442 0.40075 0.04863 -0.03773 0.17840 193 4ZZ 0.06849 -0.26016 -0.05866 0.09507 -0.12307 194 4XY 0.01637 0.12597 -0.00838 0.09905 0.11178 195 4XZ -0.21326 0.20708 0.14125 0.02157 0.12763 196 4YZ 0.03379 0.05363 -0.07163 0.04393 0.06455 197 21 H 1S 0.01197 -0.35422 -0.04038 0.01595 -0.22377 198 2S 0.03366 -0.28467 -0.12622 -0.07170 -0.14148 199 22 C 1S -0.00341 -0.00486 -0.00529 -0.01194 -0.00312 200 2S -0.11685 0.28732 0.03911 -0.11310 0.11484 201 2PX -0.02881 0.05771 0.06200 -0.04544 0.01094 202 2PY -0.02088 0.10169 0.06099 0.04219 0.08159 203 2PZ 0.08539 -0.25762 -0.12229 0.07092 -0.09830 204 3S 0.13959 0.53353 0.10393 0.18580 0.25106 205 3PX 0.09720 -0.07955 -0.09468 0.08860 0.05267 206 3PY -0.11091 0.21024 -0.19853 -0.11295 -0.27003 207 3PZ -0.21987 0.01974 -0.18304 -0.20042 0.05781 208 4XX -0.02172 0.06607 -0.12724 -0.12581 0.04221 209 4YY -0.06882 -0.00941 0.03385 0.02585 -0.03041 210 4ZZ 0.09687 -0.03828 0.06542 0.05827 -0.01281 211 4XY 0.07411 0.06568 0.02279 -0.05129 -0.02888 212 4XZ -0.18361 0.02806 0.32867 -0.04364 0.04176 213 4YZ -0.07304 0.24115 -0.09939 0.08017 0.11606 214 23 H 1S 0.03072 -0.16446 0.15152 -0.07202 -0.04004 215 2S 0.11348 -0.09055 0.02573 0.10984 0.07091 166 167 168 169 170 V V V V V Eigenvalues -- 2.09772 2.11475 2.13716 2.14682 2.20944 1 1 C 1S 0.00525 0.00294 0.00706 -0.00842 0.01256 2 2S 0.16600 0.14632 -0.10874 -0.19117 0.13632 3 2PX 0.04816 0.05900 -0.03968 -0.08324 -0.05067 4 2PY 0.09934 -0.00543 -0.03662 0.14047 0.23009 5 2PZ -0.02946 -0.03612 0.02384 0.07116 0.04832 6 3S -0.15920 -0.06070 -0.29467 0.72148 -1.28706 7 3PX -0.22839 -0.10289 -0.00018 0.17593 -0.46534 8 3PY -0.37784 0.12517 0.23449 -0.03755 -0.22245 9 3PZ 0.19866 0.15938 0.05916 -0.43286 0.30838 10 4XX 0.09457 0.07950 -0.04338 -0.24277 -0.09917 11 4YY -0.12362 -0.01801 0.14875 0.10792 0.18401 12 4ZZ 0.05908 -0.07571 -0.09984 0.16851 -0.06198 13 4XY -0.08065 0.05770 -0.02747 -0.11574 -0.11912 14 4XZ 0.02243 0.07367 0.11129 -0.18427 0.10172 15 4YZ 0.06124 0.04639 -0.04456 -0.02438 0.14633 16 2 C 1S 0.01098 -0.00083 0.00196 -0.00275 -0.00112 17 2S -0.03147 -0.03533 0.04484 -0.39820 -0.44198 18 2PX 0.02413 -0.06471 0.00627 -0.06259 -0.05828 19 2PY -0.11824 0.06321 0.04726 -0.14075 -0.10013 20 2PZ -0.00758 0.00237 -0.01103 0.00946 0.02388 21 3S -0.81221 0.94919 -0.26226 0.03609 0.74422 22 3PX -0.13926 0.11797 -0.39111 0.51612 -0.07083 23 3PY 1.37826 -0.64632 0.07203 0.01274 0.88795 24 3PZ 0.08084 -0.06749 0.21097 -0.16923 0.47272 25 4XX -0.03009 0.07610 0.12948 -0.02859 0.23440 26 4YY 0.02310 0.02663 -0.09638 0.00648 -0.19667 27 4ZZ 0.04343 -0.08421 -0.01283 0.04900 0.06037 28 4XY 0.01346 0.03739 -0.04601 0.06758 -0.01239 29 4XZ 0.10078 0.09791 -0.02916 -0.35276 -0.16387 30 4YZ -0.01401 -0.01252 0.02276 0.03483 -0.01238 31 3 C 1S -0.01673 0.01361 -0.00738 0.00503 0.01768 32 2S 0.11522 0.15140 -0.22056 -0.30012 0.09684 33 2PX -0.05167 -0.00392 0.00612 0.13503 0.14957 34 2PY 0.13490 -0.04393 -0.06237 0.11116 0.05518 35 2PZ 0.02685 0.03921 -0.06370 -0.14725 -0.06932 36 3S 0.31122 -0.34245 0.46959 0.29438 -1.16356 37 3PX 0.24782 0.02916 -0.10075 -0.26445 -0.70488 38 3PY -0.56457 0.20672 0.03012 0.49512 -0.40361 39 3PZ -0.31967 -0.22588 0.37376 0.53106 0.13693 40 4XX -0.05463 0.03669 -0.04478 0.05304 0.15739 41 4YY -0.16292 -0.03101 0.04702 0.07427 0.03707 42 4ZZ 0.18563 0.01413 0.01543 -0.05948 -0.20099 43 4XY 0.11290 -0.06978 0.05031 0.23160 -0.17568 44 4XZ -0.08855 -0.06950 0.17712 -0.08884 -0.13663 45 4YZ 0.10411 -0.01639 -0.03445 0.12559 -0.22232 46 4 C 1S -0.01641 -0.01102 -0.01003 -0.00171 -0.01688 47 2S 0.13057 -0.17084 -0.20092 0.35076 -0.15218 48 2PX -0.05857 0.00562 -0.02244 -0.13173 -0.13146 49 2PY -0.13798 -0.03559 0.08157 0.10974 0.06854 50 2PZ 0.02873 -0.04098 -0.04171 0.15529 0.06357 51 3S 0.15346 0.26791 0.57932 -0.45223 1.12758 52 3PX 0.35723 -0.02008 -0.05234 0.31233 0.74565 53 3PY 0.65989 0.13990 0.04142 0.45273 -0.52071 54 3PZ -0.38177 0.21654 0.34107 -0.62281 -0.09665 55 4XX -0.07929 -0.04030 -0.05689 -0.01683 -0.19351 56 4YY -0.14732 0.05928 0.03472 -0.09295 -0.01502 57 4ZZ 0.18931 -0.03030 0.03203 0.03933 0.23170 58 4XY -0.11571 -0.05602 0.00241 0.23790 -0.13968 59 4XZ -0.10063 0.05481 0.21060 0.05194 0.16455 60 4YZ -0.07504 -0.02422 0.04146 0.11213 -0.22623 61 5 C 1S 0.00970 -0.00005 0.00311 0.00185 0.00259 62 2S -0.04672 0.02392 0.14700 0.37086 0.45901 63 2PX 0.03767 0.06571 0.01811 0.04687 0.07279 64 2PY 0.12833 0.05716 -0.07720 -0.13555 -0.11018 65 2PZ -0.01032 -0.00307 -0.01544 -0.00537 -0.03635 66 3S -0.82175 -0.85188 -0.41017 0.08722 -0.81434 67 3PX -0.25026 -0.06582 -0.50528 -0.41681 0.24359 68 3PY -1.55507 -0.54202 0.03277 0.04224 0.89327 69 3PZ 0.08112 0.00809 0.22479 0.12026 -0.60673 70 4XX -0.03147 -0.07086 0.12802 0.03887 -0.29923 71 4YY 0.02071 -0.02309 -0.09844 0.00048 0.19126 72 4ZZ 0.04440 0.07264 -0.01864 -0.06584 0.01193 73 4XY -0.00268 0.03604 0.04417 0.06260 0.00553 74 4XZ 0.08284 -0.10120 0.03695 0.35547 0.15089 75 4YZ 0.00903 -0.00494 -0.01638 0.01444 -0.01087 76 6 C 1S 0.00567 -0.00365 0.00758 0.00720 -0.01535 77 2S 0.14997 -0.13329 -0.08987 0.20861 -0.13324 78 2PX 0.02893 -0.05288 -0.02051 0.09490 0.07530 79 2PY -0.11007 -0.00575 0.07173 0.12152 0.23254 80 2PZ -0.02199 0.03357 0.00890 -0.06932 -0.06464 81 3S -0.25754 0.12440 -0.28636 -0.67057 1.43328 82 3PX -0.20740 0.12297 0.00867 -0.17878 0.47705 83 3PY 0.44947 0.14232 -0.28500 0.02550 -0.18807 84 3PZ 0.21871 -0.17710 0.10030 0.42255 -0.33962 85 4XX 0.11465 -0.06572 0.01023 0.24313 0.05810 86 4YY -0.12731 -0.00431 0.12044 -0.12048 -0.17327 87 4ZZ 0.04551 0.08427 -0.12889 -0.15742 0.08789 88 4XY 0.07203 0.06230 0.01403 -0.14691 -0.13212 89 4XZ 0.01457 -0.08174 0.14500 0.15878 -0.11419 90 4YZ -0.06108 0.05277 0.03735 -0.03064 0.12336 91 7 H 1S -0.01857 0.01951 0.08087 -0.01734 0.13384 92 2S -0.15349 -0.04205 0.02479 0.07309 -0.13250 93 8 H 1S -0.28995 0.00129 0.08279 0.10993 0.23684 94 2S -0.16714 -0.04839 0.12243 0.23011 0.15831 95 9 H 1S -0.30010 0.01152 0.06289 -0.11961 -0.22670 96 2S -0.19208 0.04664 0.08603 -0.25160 -0.15768 97 10 H 1S -0.02120 -0.02765 0.08347 -0.00473 -0.13586 98 2S -0.15907 0.04116 0.03077 -0.07710 0.12269 99 11 O 1S -0.01965 0.01145 -0.00489 -0.00264 -0.00366 100 2S -0.41889 0.26775 0.01242 0.04993 0.04452 101 2PX 0.00869 0.00701 -0.00108 0.04014 0.00914 102 2PY -0.04971 0.01089 0.06628 0.01346 0.14905 103 2PZ -0.01332 -0.00680 0.01852 0.00773 0.05183 104 3S 1.67092 -1.04164 0.15233 -0.07022 0.31394 105 3PX 0.07239 -0.05525 0.07564 -0.14779 0.02883 106 3PY 0.43816 -0.29046 0.02574 -0.04093 -0.04359 107 3PZ 0.03112 0.01020 -0.05101 0.00450 -0.17262 108 4XX -0.05901 -0.00313 -0.06326 -0.03101 0.03881 109 4YY -0.13828 0.07491 -0.01529 0.02916 -0.03937 110 4ZZ 0.00432 0.03072 0.08283 -0.00574 0.06274 111 4XY 0.03121 0.07992 0.06657 -0.08413 0.05939 112 4XZ 0.06099 -0.13586 -0.01207 0.22600 0.05907 113 4YZ 0.02005 0.02216 -0.01290 -0.03385 -0.18929 114 12 O 1S -0.02161 -0.00983 -0.00410 0.00371 0.00285 115 2S -0.46532 -0.23539 -0.00274 -0.04463 -0.04058 116 2PX 0.00754 -0.00239 -0.01363 -0.03992 0.01082 117 2PY 0.05028 0.01310 -0.05752 0.02306 0.14584 118 2PZ -0.01438 0.00308 0.01367 -0.01086 -0.05986 119 3S 1.85763 0.90415 0.16212 0.02230 -0.30086 120 3PX 0.05723 0.01369 0.10282 0.13146 -0.06927 121 3PY -0.48672 -0.25665 -0.04762 -0.03438 -0.04737 122 3PZ 0.03470 0.00287 -0.04256 0.00512 0.20998 123 4XX -0.06175 0.01211 -0.06413 0.02418 -0.00905 124 4YY -0.15073 -0.07195 -0.01276 -0.01705 0.03628 125 4ZZ 0.00140 -0.03046 0.08148 0.00372 -0.09281 126 4XY -0.04063 0.09293 -0.07234 -0.07958 0.10245 127 4XZ 0.08751 0.13457 -0.05158 -0.22841 -0.06216 128 4YZ -0.02502 -0.00055 -0.00019 -0.02035 -0.22076 129 13 C 1S -0.01839 0.00274 -0.04662 0.00746 -0.00454 130 2S 0.17767 0.03315 -0.61628 0.08488 0.00129 131 2PX -0.14825 -0.00299 0.02852 -0.00030 -0.01548 132 2PY -0.00127 -0.06543 -0.00122 -0.00194 0.07780 133 2PZ 0.05503 0.00082 -0.04575 0.00184 0.01351 134 3S 0.37504 -0.11889 2.01325 -0.32371 0.23760 135 3PX 0.74066 0.00988 -0.66683 0.10625 -0.03721 136 3PY -0.02690 -0.14131 0.02865 0.07940 0.07628 137 3PZ 0.73622 -0.06629 1.04111 -0.14242 0.07627 138 4XX 0.10445 -0.04890 0.29653 -0.05109 0.03396 139 4YY 0.08468 0.02718 0.04417 0.00586 -0.03627 140 4ZZ -0.24777 0.02202 -0.33516 0.04471 -0.00147 141 4XY -0.01623 -0.44741 -0.04585 -0.12568 0.12812 142 4XZ 0.30775 -0.01285 -0.37553 0.03811 0.00665 143 4YZ -0.03225 -0.40172 -0.02709 -0.27931 0.20986 144 14 H 1S -0.42475 0.02105 -0.16588 0.02609 -0.03145 145 2S -0.30328 0.01132 -0.08034 0.00969 -0.00735 146 15 H 1S 0.33677 -0.01837 0.19654 -0.02362 -0.00336 147 2S 0.13109 -0.00923 0.17085 -0.01812 0.00025 148 16 C 1S -0.00456 0.01883 0.02180 -0.00008 -0.00518 149 2S 0.15162 0.43094 0.07380 -0.16538 0.15672 150 2PX 0.05072 0.00286 -0.06052 0.01998 -0.08811 151 2PY 0.06658 0.17675 -0.08472 -0.03418 0.09938 152 2PZ 0.05618 -0.05834 0.07067 0.01495 0.13325 153 3S -0.19410 -1.43883 -0.81454 0.46570 0.70858 154 3PX -0.32656 -0.02007 -0.13174 0.05960 -0.08817 155 3PY -0.17986 -0.85536 -0.47261 0.14201 0.18478 156 3PZ -0.15769 -0.57844 -0.00520 -0.14989 -0.07673 157 4XX -0.27075 -0.01241 0.00101 -0.22300 0.26710 158 4YY 0.06472 -0.22213 0.10008 0.08133 -0.13765 159 4ZZ 0.15690 0.19599 -0.11603 0.16512 -0.12823 160 4XY -0.27856 -0.15633 -0.00280 -0.01764 0.04116 161 4XZ -0.00751 0.04575 -0.03963 0.09440 0.17715 162 4YZ -0.18480 -0.38058 0.06226 -0.09857 -0.06144 163 17 H 1S -0.06159 0.16834 -0.10645 -0.04940 0.08280 164 2S -0.05945 -0.30211 -0.06365 -0.01081 -0.02463 165 18 C 1S 0.00132 -0.02012 0.02516 0.00459 0.02300 166 2S 0.02123 -0.11265 0.66114 0.10626 0.55403 167 2PX 0.00383 -0.02748 0.05799 -0.04834 0.01122 168 2PY 0.12392 0.15910 0.27796 -0.02153 -0.02449 169 2PZ 0.09571 -0.03678 -0.18199 -0.00704 -0.16165 170 3S 0.22785 1.99220 -0.27237 -0.50911 -2.17115 171 3PX -0.05509 0.49274 -0.12682 0.01269 -0.18428 172 3PY -0.20354 0.80053 -0.51262 -0.08987 -0.91460 173 3PZ 0.00571 -1.00446 0.34806 0.10113 0.90286 174 4XX 0.08149 0.02521 0.30874 -0.17217 0.10388 175 4YY -0.18875 0.15154 -0.41112 0.08433 0.00297 176 4ZZ 0.15845 -0.14552 0.16025 0.06436 -0.15091 177 4XY 0.09797 -0.18189 -0.11166 -0.19850 -0.03606 178 4XZ -0.05399 0.06890 0.09378 -0.01352 0.08024 179 4YZ -0.24729 0.16464 0.00756 -0.04064 -0.06732 180 19 H 1S -0.25392 0.29296 0.01646 0.00922 -0.00315 181 2S 0.00749 0.27457 -0.24212 0.02965 -0.28206 182 20 C 1S -0.00605 -0.02033 0.02063 -0.00827 0.01285 183 2S 0.12879 -0.42571 0.08068 0.11914 -0.00363 184 2PX 0.04704 0.00869 -0.05601 -0.00688 0.08914 185 2PY -0.06658 0.17209 0.09974 -0.05648 0.06931 186 2PZ 0.05025 0.05195 0.06568 -0.03031 -0.13442 187 3S -0.13888 1.50836 -0.84412 -0.12939 -1.19222 188 3PX -0.33240 -0.01037 -0.08691 -0.02338 0.11344 189 3PY 0.10813 -0.90631 0.45072 -0.02486 0.47512 190 3PZ -0.08774 0.56258 0.06280 0.14682 -0.01789 191 4XX -0.21056 0.00423 0.03845 0.20621 -0.24520 192 4YY -0.00571 0.23236 0.10613 -0.09872 0.13635 193 4ZZ 0.16537 -0.19822 -0.16434 -0.12786 0.08966 194 4XY 0.28060 -0.15006 -0.01395 -0.06026 0.13556 195 4XZ -0.01680 -0.07018 -0.07991 -0.08567 -0.19371 196 4YZ 0.15694 -0.37557 -0.11327 -0.07093 -0.05932 197 21 H 1S -0.02266 -0.16401 -0.11238 0.07497 -0.11717 198 2S -0.02925 0.31796 -0.03632 0.03259 -0.04160 199 22 C 1S 0.00283 0.01722 0.02405 -0.00862 -0.02959 200 2S -0.00279 0.05705 0.60462 -0.24762 -0.58418 201 2PX -0.00654 0.03596 0.04824 0.03460 -0.00227 202 2PY -0.12579 0.18964 -0.26267 0.03394 0.00169 203 2PZ 0.11718 0.04577 -0.16852 0.05169 0.14986 204 3S 0.12471 -1.96228 -0.19404 0.50701 2.41415 205 3PX -0.05062 -0.42312 -0.10860 -0.00140 0.16130 206 3PY 0.25068 0.78020 0.50970 -0.20941 -0.95799 207 3PZ 0.02849 0.97658 0.34977 -0.15862 -1.03139 208 4XX 0.06801 -0.08584 0.33598 0.08133 -0.13984 209 4YY -0.18113 -0.07799 -0.43411 0.04070 0.01900 210 4ZZ 0.16434 0.12183 0.15762 -0.10742 0.14681 211 4XY -0.13787 -0.18684 -0.02092 -0.22082 -0.02046 212 4XZ -0.04196 -0.06781 0.07973 -0.00113 -0.13116 213 4YZ 0.23583 0.16324 -0.01245 -0.04095 -0.03753 214 23 H 1S -0.25499 -0.28786 -0.01067 -0.00152 -0.02422 215 2S -0.00252 -0.25668 -0.24967 0.02475 0.31781 171 172 173 174 175 V V V V V Eigenvalues -- 2.21523 2.23327 2.23606 2.27397 2.29405 1 1 C 1S -0.01368 -0.00514 0.00025 0.00832 0.01678 2 2S -0.04429 -0.16419 -0.12138 0.01719 0.28544 3 2PX 0.02569 -0.07425 -0.05709 -0.05014 -0.01261 4 2PY -0.07134 -0.07952 0.02494 0.05732 0.08435 5 2PZ -0.07429 -0.02649 0.03991 -0.02076 -0.01354 6 3S 0.64892 0.23545 -0.32311 0.15449 -2.50285 7 3PX 0.11954 -0.03490 -0.01894 0.07569 -0.96428 8 3PY -0.20925 -0.10905 0.18173 0.38186 -0.46530 9 3PZ -0.18120 -0.25088 0.15942 -0.07661 0.75570 10 4XX -0.16219 -0.08594 0.05278 -0.09917 -0.05074 11 4YY 0.00530 -0.03225 0.10952 -0.03237 0.04090 12 4ZZ 0.13486 0.11878 -0.14760 0.17124 -0.01408 13 4XY -0.02111 -0.23042 0.02034 0.09522 -0.04076 14 4XZ -0.11083 -0.13970 0.04329 0.05779 0.07449 15 4YZ 0.11332 -0.37280 0.12580 0.05768 -0.07292 16 2 C 1S 0.00560 -0.01073 -0.00509 -0.00193 -0.01182 17 2S 0.07954 -0.19025 -0.03825 0.02894 -0.09293 18 2PX 0.09985 -0.03722 0.06167 -0.05921 -0.02179 19 2PY 0.01885 -0.06613 -0.07225 -0.00719 -0.04602 20 2PZ -0.07690 -0.06621 -0.05175 0.01086 -0.02402 21 3S -0.34268 0.49888 -0.18988 -0.32869 0.99476 22 3PX 0.47247 0.45560 -0.36462 -0.43282 -0.58309 23 3PY -0.05864 0.37024 1.07006 -0.31367 1.86049 24 3PZ -0.46201 -0.18067 0.52139 0.28388 0.65035 25 4XX -0.33288 -0.16268 0.15408 -0.39764 -0.07921 26 4YY -0.01325 0.09470 -0.00465 0.03111 0.00357 27 4ZZ 0.35099 0.08304 -0.15074 0.34136 0.09529 28 4XY 0.09231 0.03431 0.02634 0.02153 0.07719 29 4XZ -0.03169 -0.03875 0.02170 -0.14430 0.04895 30 4YZ -0.03356 0.01616 0.00926 0.01511 0.04510 31 3 C 1S -0.00350 -0.01012 0.02672 -0.01285 0.04568 32 2S -0.12379 -0.00538 0.63313 -0.13806 0.68716 33 2PX 0.06125 -0.02827 -0.01964 0.00272 0.00205 34 2PY 0.01131 0.11840 0.18711 0.03215 -0.13374 35 2PZ 0.00250 0.00591 0.03659 -0.00586 0.05780 36 3S 0.03172 0.29267 -0.45957 1.27674 -3.53322 37 3PX 0.36812 0.69278 -0.26435 -0.25815 -0.11031 38 3PY 0.23181 0.14637 -0.66302 0.08889 -1.92155 39 3PZ 0.06903 -0.44706 -0.63547 0.38435 -1.10943 40 4XX -0.14654 -0.28028 -0.03513 -0.19009 -0.36021 41 4YY -0.00115 0.05241 -0.11457 0.03386 -0.14317 42 4ZZ 0.18069 0.24441 0.08107 0.15946 0.38159 43 4XY -0.08440 0.01677 -0.01257 -0.10917 0.12129 44 4XZ 0.17721 -0.08069 -0.21214 -0.15405 -0.34108 45 4YZ -0.01434 -0.08872 0.24386 -0.17367 0.14572 46 4 C 1S 0.00259 0.02249 0.02487 0.01608 -0.04752 47 2S -0.06084 0.34474 0.67716 0.32151 -0.63483 48 2PX 0.08285 0.00434 -0.03570 0.01835 -0.02818 49 2PY -0.01649 0.02060 -0.20895 0.00403 -0.13800 50 2PZ -0.00741 0.01677 0.04942 0.03976 -0.04869 51 3S -0.25068 -0.54997 -0.92730 -1.11393 3.78299 52 3PX 0.04710 -0.69457 0.29813 0.01170 -0.15797 53 3PY -0.08522 0.60030 0.68946 0.61654 -1.63590 54 3PZ 0.14781 0.01267 -0.97015 -0.40056 1.12367 55 4XX -0.06061 0.21539 -0.23071 -0.32022 0.24998 56 4YY -0.01416 -0.09822 -0.08529 0.01208 0.15034 57 4ZZ 0.09863 -0.17091 0.24406 0.24991 -0.30192 58 4XY 0.13374 -0.03274 -0.01995 0.03038 0.08500 59 4XZ 0.15521 -0.08340 -0.24361 -0.22176 0.21011 60 4YZ 0.03502 -0.21393 -0.18216 0.09064 0.18374 61 5 C 1S 0.00744 0.00482 -0.01131 -0.00945 0.00838 62 2S 0.03926 0.14176 -0.15378 -0.09276 0.06032 63 2PX 0.09549 0.05142 0.04873 -0.04018 -0.02432 64 2PY -0.01592 -0.02213 0.10074 0.05140 -0.02375 65 2PZ -0.06625 0.04155 -0.08691 -0.00643 0.03585 66 3S -0.33549 -0.46101 0.28469 0.43296 -0.95533 67 3PX 0.31580 -0.68375 -0.09066 -0.21603 0.22654 68 3PY -0.08862 -0.26841 -1.42818 -0.72779 1.63259 69 3PZ -0.28566 0.49895 0.30245 0.23824 -0.24672 70 4XX -0.25214 0.25317 0.03843 -0.36282 -0.06288 71 4YY -0.05820 -0.07623 0.05032 0.04485 0.01176 72 4ZZ 0.33113 -0.19456 -0.07250 0.32469 0.02917 73 4XY -0.06130 0.00569 -0.04886 -0.01191 0.08649 74 4XZ -0.03682 0.05246 0.01592 -0.09244 -0.10087 75 4YZ 0.03669 -0.00341 -0.02024 -0.03463 0.01194 76 6 C 1S -0.00981 0.00746 -0.00212 0.01166 -0.00410 77 2S -0.00603 0.10040 -0.16491 0.06996 -0.24285 78 2PX 0.02352 0.02747 -0.08211 -0.05567 -0.02678 79 2PY 0.01871 -0.08895 0.03541 -0.02970 0.04001 80 2PZ -0.05907 0.05155 0.01759 -0.01242 0.01782 81 3S 0.36384 -0.57435 -0.47646 -0.93271 1.96609 82 3PX 0.06211 -0.04621 -0.14147 -0.28612 0.79321 83 3PY 0.18897 -0.17410 0.10789 0.22163 -0.67818 84 3PZ -0.07589 0.35401 0.10561 0.21667 -0.63378 85 4XX -0.14449 0.10015 0.01653 -0.08634 0.02461 86 4YY 0.03837 0.09553 0.05972 -0.05166 -0.06377 87 4ZZ 0.09052 -0.18850 -0.07420 0.15157 0.09441 88 4XY 0.02294 -0.21657 0.09877 -0.12171 -0.11755 89 4XZ -0.07196 0.13922 -0.04750 0.00886 -0.01449 90 4YZ -0.18772 -0.37243 0.08097 -0.06213 -0.07068 91 7 H 1S -0.01226 -0.09394 0.06039 0.05081 -0.02296 92 2S -0.01701 0.03650 0.01335 0.07591 -0.25785 93 8 H 1S -0.03138 -0.23657 -0.28190 -0.04897 -0.31056 94 2S -0.01307 -0.17062 -0.12644 0.10387 -0.16683 95 9 H 1S 0.04989 0.03856 -0.39492 -0.12936 0.24440 96 2S 0.04341 0.07313 -0.22879 -0.01458 0.18152 97 10 H 1S 0.03211 0.10823 -0.02306 -0.03046 0.04363 98 2S -0.04056 -0.03574 -0.01899 -0.06675 0.26126 99 11 O 1S -0.00458 0.00000 -0.00927 0.00505 -0.00920 100 2S -0.00312 -0.09139 -0.28471 -0.00260 -0.29743 101 2PX 0.05073 0.01948 -0.01586 -0.03509 -0.04038 102 2PY -0.00191 -0.05224 -0.01981 -0.02188 -0.01509 103 2PZ -0.02743 -0.01596 0.02848 0.00000 0.00831 104 3S 0.10937 0.21307 1.09509 -0.16568 1.24634 105 3PX -0.16693 -0.10119 0.14017 0.11929 0.25645 106 3PY 0.05765 0.04774 0.26056 -0.03002 0.22836 107 3PZ 0.13462 0.06445 -0.12033 -0.04425 -0.07441 108 4XX 0.09695 0.03756 -0.02762 0.22301 0.13816 109 4YY 0.03105 -0.01221 -0.11504 -0.00995 -0.14939 110 4ZZ -0.15817 -0.05875 0.05675 -0.19133 -0.07065 111 4XY -0.16536 -0.06957 0.12898 0.05397 0.26279 112 4XZ 0.04418 0.05211 0.01734 0.07792 0.03162 113 4YZ 0.14961 0.09747 -0.09907 -0.02617 -0.01756 114 12 O 1S -0.00518 -0.00498 -0.01026 -0.00064 0.00912 115 2S 0.00706 -0.08678 -0.34110 -0.15691 0.23936 116 2PX 0.04205 -0.03440 0.00003 -0.03101 0.01551 117 2PY -0.03637 -0.02665 0.04522 0.03177 -0.00086 118 2PZ -0.01249 0.03136 0.01229 -0.00172 0.00660 119 3S 0.17187 0.43162 1.27316 0.50474 -1.08250 120 3PX -0.12838 0.18171 0.04895 0.10849 -0.11475 121 3PY -0.04345 -0.11506 -0.29628 -0.10000 0.20667 122 3PZ 0.07966 -0.13434 -0.04842 -0.01677 -0.01038 123 4XX 0.11160 -0.07653 -0.00663 0.22705 -0.02603 124 4YY 0.00360 -0.04050 -0.11505 -0.06342 0.09686 125 4ZZ -0.12869 0.09529 0.01154 -0.19168 -0.00052 126 4XY 0.12410 -0.14851 -0.08884 -0.09496 0.18560 127 4XZ 0.03304 -0.03110 0.04401 0.07468 0.00078 128 4YZ -0.09661 0.15229 0.00877 -0.01677 0.02831 129 13 C 1S -0.05155 0.00824 0.01775 0.03802 0.00927 130 2S -0.17875 0.01775 -0.00359 -0.28638 -0.05577 131 2PX -0.11231 0.03987 0.13660 0.21680 0.06105 132 2PY -0.01108 -0.04764 -0.00047 -0.04438 0.16756 133 2PZ 0.11388 -0.01724 -0.03730 -0.09622 -0.02821 134 3S 2.40388 -0.55567 -1.44807 -1.36329 -0.34816 135 3PX -0.63346 0.11488 0.23357 0.14932 0.08521 136 3PY 0.00043 -0.13783 0.00528 -0.10550 0.36286 137 3PZ 0.60179 -0.20321 -0.63976 -0.37985 -0.11551 138 4XX 0.27823 -0.01984 -0.03672 0.13255 -0.00220 139 4YY -0.22824 0.02216 0.05549 0.19354 0.02009 140 4ZZ -0.06898 0.00367 0.00392 -0.19291 0.01221 141 4XY -0.03003 0.03822 0.00103 0.02933 -0.12532 142 4XZ -0.10020 0.02193 0.03359 0.07321 0.06158 143 4YZ -0.01711 0.05472 -0.02015 -0.05051 0.15522 144 14 H 1S -0.25626 0.04376 0.12881 0.03564 0.00205 145 2S 0.03244 0.04313 0.18638 0.11661 0.02816 146 15 H 1S -0.05964 0.01066 0.00405 0.18188 0.00482 147 2S -0.05115 -0.03119 -0.13726 -0.08022 -0.00757 148 16 C 1S 0.03955 0.02394 -0.03865 0.00393 -0.08741 149 2S 0.57701 0.35912 -0.90885 -0.37853 -0.87922 150 2PX -0.01013 -0.04520 0.10427 0.02684 0.03779 151 2PY 0.05547 0.09361 -0.16297 -0.12321 -0.05203 152 2PZ -0.01545 0.03935 -0.08196 -0.00680 0.07002 153 3S -2.20359 -0.41916 2.14783 0.60025 3.56519 154 3PX -0.12032 0.08975 -0.46224 0.23811 -0.45121 155 3PY -1.27727 -0.08360 1.13066 0.74618 1.78745 156 3PZ -0.25009 0.05922 0.31012 0.13648 0.59859 157 4XX 0.17518 0.36605 0.27806 -0.01182 -0.05852 158 4YY 0.07584 -0.21314 -0.00898 -0.00971 0.01862 159 4ZZ -0.29945 -0.16021 -0.14480 0.12071 0.06666 160 4XY -0.31827 -0.04325 -0.10513 0.32029 0.10597 161 4XZ -0.12461 -0.06526 -0.16733 0.00507 0.24193 162 4YZ 0.10396 -0.08359 0.04916 -0.00879 -0.00487 163 17 H 1S -0.16368 0.18881 -0.00937 0.16095 0.04425 164 2S -0.24035 -0.05295 0.29789 0.19428 0.37603 165 18 C 1S -0.02457 0.01474 0.01178 0.01695 0.02098 166 2S -0.03854 0.29684 -0.13794 0.01681 0.21455 167 2PX 0.06251 0.04088 0.00944 -0.01530 0.02634 168 2PY -0.08961 0.04448 0.01617 0.10232 0.05038 169 2PZ -0.09364 -0.11273 0.09001 0.02075 0.02392 170 3S 0.98022 -0.74702 -0.64387 0.05186 -2.70094 171 3PX 0.20087 -0.01455 0.02632 -0.08862 -0.70654 172 3PY 0.16591 -0.45563 0.17848 -0.12635 -0.68051 173 3PZ -0.46694 0.40239 0.22320 0.12677 1.39879 174 4XX -0.05030 0.26201 0.17357 0.06916 -0.05093 175 4YY 0.06334 0.00889 0.02922 -0.07242 0.03533 176 4ZZ -0.09075 -0.26731 -0.14047 0.08706 0.02499 177 4XY -0.08667 -0.02129 -0.19410 -0.01467 0.07100 178 4XZ -0.24384 -0.08146 -0.08529 0.08092 0.35240 179 4YZ -0.01141 0.13431 0.18439 0.09461 -0.01788 180 19 H 1S -0.04297 0.08993 0.20794 0.03266 -0.02650 181 2S 0.11144 -0.20411 -0.01219 -0.11450 -0.39711 182 20 C 1S 0.02926 -0.04678 -0.02705 -0.03302 0.06731 183 2S 0.47766 -0.84829 -0.68292 -0.69093 0.61561 184 2PX -0.02009 0.11124 0.07939 0.03435 -0.01427 185 2PY -0.05079 0.16158 0.09803 0.12172 -0.02407 186 2PZ 0.00454 -0.07193 -0.04866 0.03635 -0.07058 187 3S -1.77429 1.75747 1.89088 2.10066 -2.62864 188 3PX -0.11417 -0.35546 -0.46539 -0.07996 0.49420 189 3PY 1.11463 -0.80200 -1.02513 -1.39670 1.23631 190 3PZ -0.25627 0.14991 0.34769 0.34630 -0.43248 191 4XX 0.23387 -0.21524 0.42973 -0.03216 0.06439 192 4YY 0.03317 0.17023 -0.10948 0.02493 0.01155 193 4ZZ -0.31005 0.11443 -0.21108 0.11226 -0.08163 194 4XY 0.28501 0.01234 0.07790 -0.33625 -0.00598 195 4XZ -0.10192 -0.01549 -0.16035 0.12678 -0.26606 196 4YZ -0.09596 -0.07796 0.00417 0.00771 0.00774 197 21 H 1S -0.16129 -0.14913 0.07951 0.15569 -0.02349 198 2S -0.21386 0.22811 0.25638 0.32147 -0.26437 199 22 C 1S -0.02042 -0.00405 0.01716 0.02448 -0.00737 200 2S 0.01700 -0.32496 0.03357 0.17373 -0.14002 201 2PX 0.06666 -0.03620 0.03220 -0.01421 -0.02214 202 2PY 0.09302 0.01828 -0.03704 -0.10574 0.00433 203 2PZ -0.09673 0.15874 0.02442 0.00753 -0.02099 204 3S 0.57815 0.17483 -1.11993 -1.23979 2.25195 205 3PX 0.17985 -0.05588 -0.04236 -0.32784 0.56999 206 3PY -0.05645 -0.44919 0.12369 0.46437 -0.63678 207 3PZ -0.30235 -0.16190 0.49141 0.76069 -1.10930 208 4XX -0.02355 -0.13466 0.28013 0.03537 0.16275 209 4YY 0.04789 -0.01194 0.01771 -0.05236 -0.06154 210 4ZZ -0.10493 0.18484 -0.24669 0.08409 -0.07603 211 4XY 0.07660 0.07475 0.15267 -0.04699 0.07564 212 4XZ -0.22238 0.06474 -0.11180 0.22044 -0.30449 213 4YZ 0.04221 0.02354 -0.21424 -0.07626 -0.04319 214 23 H 1S -0.04416 0.02167 0.21216 0.01209 0.07885 215 2S 0.07598 0.15151 -0.13770 -0.27111 0.29415 176 177 178 179 180 V V V V V Eigenvalues -- 2.31175 2.31478 2.33809 2.38087 2.39748 1 1 C 1S 0.00837 -0.05327 -0.00499 -0.00309 0.00666 2 2S 0.27261 -0.31410 0.04400 0.02951 0.23805 3 2PX 0.02847 0.04995 0.05630 0.02338 0.05392 4 2PY 0.19641 -0.18712 -0.08314 -0.00779 0.10864 5 2PZ -0.05962 -0.05060 -0.03886 0.01505 0.01508 6 3S 0.19566 1.88641 0.79592 -0.05115 -0.83472 7 3PX -0.17513 0.48138 0.27908 -0.00182 -0.48550 8 3PY 1.33108 -0.59157 0.13037 -0.09146 0.59935 9 3PZ 0.14444 -0.45180 -0.27297 -0.01339 0.54356 10 4XX -0.13855 -0.09432 0.00863 0.05016 -0.15862 11 4YY 0.22509 0.19509 -0.08685 -0.02878 0.11869 12 4ZZ -0.04834 -0.19864 0.03896 -0.04487 0.03330 13 4XY -0.27028 -0.19872 -0.01030 -0.01948 0.22052 14 4XZ 0.26788 -0.30554 0.01251 -0.02550 0.08699 15 4YZ -0.19237 0.16020 -0.09143 -0.03484 0.27901 16 2 C 1S 0.00973 0.00434 0.01172 0.00432 -0.00388 17 2S 0.32258 0.02554 0.35266 0.09803 -0.04646 18 2PX -0.06637 0.17633 -0.00054 0.02834 -0.01289 19 2PY 0.09201 0.01130 0.10405 -0.02894 0.02634 20 2PZ 0.02830 -0.14832 0.04480 0.03231 -0.00177 21 3S -1.29209 0.09771 -0.98090 -0.19602 0.32450 22 3PX -1.74379 1.83584 -0.07546 -0.02181 -1.03181 23 3PY -1.02473 -0.07044 -1.00321 0.07911 0.27159 24 3PZ 1.02810 -1.42285 -0.26633 0.01877 0.77671 25 4XX -0.10631 0.08853 -0.13404 0.09414 -0.08361 26 4YY -0.03930 -0.05997 -0.01078 -0.00132 -0.00325 27 4ZZ 0.05260 -0.01102 0.06216 -0.11023 0.08168 28 4XY 0.02886 0.14791 -0.07883 -0.06413 0.12256 29 4XZ -0.06067 0.05140 0.07843 0.07106 0.01777 30 4YZ -0.06537 -0.14503 -0.04134 -0.04973 0.05919 31 3 C 1S -0.03834 0.04310 -0.04921 -0.01015 -0.02542 32 2S -0.77156 0.40429 -0.22256 0.22247 -0.42993 33 2PX -0.03382 0.04445 -0.04919 0.01403 -0.02605 34 2PY -0.10045 0.14750 0.05255 0.00572 -0.08924 35 2PZ -0.08519 -0.01785 0.04774 0.04651 0.01742 36 3S 3.45371 -2.19398 2.30755 -0.14048 1.50969 37 3PX -0.93705 0.62515 0.16624 -0.02566 0.23373 38 3PY -0.20179 0.40680 0.74156 -0.07967 -0.48005 39 3PZ 1.23638 -0.66430 0.47709 -0.08738 0.08450 40 4XX 0.08672 -0.07025 -0.05012 0.07371 0.02303 41 4YY -0.16000 -0.10456 0.08644 -0.06862 -0.16452 42 4ZZ 0.16174 0.17918 -0.07812 -0.10949 0.18052 43 4XY -0.25932 -0.28627 -0.10808 0.04166 0.19834 44 4XZ -0.11096 0.14349 0.05429 0.00895 -0.07475 45 4YZ -0.16799 0.23608 -0.11926 0.01680 0.30835 46 4 C 1S 0.03130 0.04144 0.04762 -0.01781 0.02302 47 2S 0.70717 0.37833 0.21631 0.09330 0.43492 48 2PX 0.02767 0.03918 0.05373 0.00664 0.02208 49 2PY -0.08023 -0.17519 0.05940 0.00366 -0.09396 50 2PZ 0.09007 -0.02098 -0.04434 0.04013 -0.01369 51 3S -3.24744 -1.99503 -2.25812 0.42743 -1.45708 52 3PX 0.88415 0.61344 -0.14767 -0.05105 -0.26120 53 3PY -0.28790 -0.74857 0.73386 0.07456 -0.45098 54 3PZ -1.15420 -0.60032 -0.46662 0.06237 -0.08213 55 4XX -0.03005 0.02150 0.05821 0.08662 0.01582 56 4YY 0.17677 -0.10304 -0.07334 -0.08582 0.13804 57 4ZZ -0.23550 0.09626 0.05529 -0.08994 -0.20227 58 4XY -0.28738 0.28629 -0.13512 -0.04472 0.19781 59 4XZ 0.14527 0.18246 -0.06321 0.00955 0.09556 60 4YZ -0.17684 -0.22216 -0.11214 -0.02369 0.29141 61 5 C 1S -0.00618 0.00524 -0.01079 0.00493 0.00331 62 2S -0.30149 0.00901 -0.35237 0.12864 0.04958 63 2PX 0.06816 0.18347 0.00106 0.02637 0.01614 64 2PY 0.08341 -0.01935 0.10613 0.01331 0.02421 65 2PZ -0.01100 -0.14407 -0.03689 0.03462 0.00785 66 3S 1.21092 0.06390 0.97702 -0.32390 -0.30218 67 3PX 1.59763 2.04350 -0.00352 -0.23198 1.00053 68 3PY -1.04136 0.10412 -0.97487 0.05474 0.19447 69 3PZ -0.98939 -1.57122 0.28847 0.14056 -0.73948 70 4XX 0.19562 0.09077 0.14618 0.08132 0.11660 71 4YY 0.02664 -0.03813 0.02038 -0.00895 -0.01323 72 4ZZ -0.12670 -0.02669 -0.08315 -0.10159 -0.10069 73 4XY 0.03978 -0.14024 -0.08214 0.05025 0.12654 74 4XZ 0.09410 0.05167 -0.06935 0.07016 -0.01529 75 4YZ -0.07055 0.14759 -0.03717 0.04862 0.06445 76 6 C 1S -0.00747 -0.05539 0.00549 -0.00276 -0.00529 77 2S -0.24861 -0.37776 -0.03002 0.06423 -0.22878 78 2PX -0.00049 0.05829 -0.05619 0.03058 -0.04811 79 2PY 0.19393 0.20519 -0.08328 -0.01361 0.10555 80 2PZ 0.06540 -0.04264 0.04095 0.01043 -0.01036 81 3S -0.22858 2.20133 -0.81312 -0.01799 0.77583 82 3PX 0.24913 0.66929 -0.28039 -0.03239 0.50655 83 3PY 1.29998 0.57281 0.14705 -0.07837 0.54980 84 3PZ -0.14015 -0.57141 0.27698 0.02327 -0.53309 85 4XX 0.13620 -0.05455 -0.00297 0.03119 0.19103 86 4YY -0.20554 0.15099 0.08091 -0.00550 -0.14505 87 4ZZ 0.02995 -0.18931 -0.04008 -0.04828 -0.03743 88 4XY -0.28446 0.18215 -0.00329 0.01759 0.19466 89 4XZ -0.26913 -0.34304 -0.01552 -0.00107 -0.06356 90 4YZ -0.14631 -0.16787 -0.08289 0.02597 0.29436 91 7 H 1S 0.25037 -0.06248 -0.00154 -0.02589 0.06558 92 2S 0.08186 0.02935 0.06726 -0.00340 -0.06333 93 8 H 1S -0.10440 -0.11795 -0.01225 0.01250 -0.35366 94 2S 0.13529 -0.04734 0.03324 0.01402 -0.13572 95 9 H 1S 0.15038 -0.04520 0.02691 -0.01986 0.35052 96 2S -0.14295 -0.02263 -0.03160 0.01447 0.13789 97 10 H 1S -0.25158 -0.07563 -0.00043 -0.00341 -0.06605 98 2S -0.08483 0.06256 -0.07011 0.00474 0.06474 99 11 O 1S 0.00384 0.00103 0.00394 0.00382 -0.00463 100 2S 0.10870 0.02158 0.09106 -0.05118 -0.02916 101 2PX -0.05541 0.07120 -0.01511 -0.01746 -0.02536 102 2PY 0.00472 0.02587 -0.00308 -0.00495 -0.00345 103 2PZ 0.01633 -0.07324 -0.01902 0.00197 0.02003 104 3S -0.50987 -0.00833 -0.46660 0.12499 0.13308 105 3PX 0.36254 -0.42154 -0.00294 0.02357 0.25271 106 3PY -0.07681 0.00967 -0.04625 0.02989 0.01724 107 3PZ -0.19868 0.36501 0.06168 -0.02995 -0.13676 108 4XX 0.05081 -0.01940 0.00914 -0.00760 0.03751 109 4YY 0.01224 0.03271 0.05964 -0.02996 -0.01617 110 4ZZ -0.03030 0.01209 -0.04133 0.06437 -0.05912 111 4XY 0.29799 -0.27138 -0.08035 -0.03518 0.23768 112 4XZ 0.01296 0.01302 -0.03661 -0.02929 0.00417 113 4YZ -0.16950 0.23274 0.02845 -0.07634 -0.04215 114 12 O 1S -0.00397 0.00183 -0.00372 0.00361 0.00490 115 2S -0.08446 0.04916 -0.08503 -0.03973 0.02977 116 2PX 0.05553 0.07850 0.01334 -0.02210 0.02273 117 2PY -0.00475 -0.03060 -0.00363 0.00740 -0.00685 118 2PZ -0.01145 -0.07222 0.02145 0.00391 -0.01801 119 3S 0.44626 -0.12640 0.43965 0.06975 -0.13363 120 3PX -0.35704 -0.47955 0.00485 0.06345 -0.24164 121 3PY -0.04107 0.04260 -0.04039 -0.02839 0.03473 122 3PZ 0.17874 0.37687 -0.07233 -0.05265 0.12309 123 4XX -0.06566 -0.00479 -0.02676 -0.00765 -0.01713 124 4YY -0.03801 0.01369 -0.04981 -0.02424 -0.00978 125 4ZZ 0.07416 0.02251 0.05032 0.05639 0.06794 126 4XY 0.29693 0.33572 -0.08750 0.00353 0.24157 127 4XZ -0.04310 -0.00821 0.03122 -0.02264 -0.00719 128 4YZ -0.14651 -0.23102 0.03737 0.09227 -0.02526 129 13 C 1S -0.00771 0.03424 -0.00138 0.00088 0.00138 130 2S 0.01756 0.11987 -0.00037 0.07526 0.00708 131 2PX -0.03166 0.05390 -0.00747 -0.00662 0.00090 132 2PY -0.04253 0.00509 -0.09089 0.01062 -0.04932 133 2PZ 0.01780 -0.03516 0.00264 0.08264 0.00132 134 3S 0.29150 -1.53244 0.03685 0.13806 -0.03100 135 3PX -0.07536 0.46903 -0.02285 -0.06143 0.00160 136 3PY -0.22106 -0.01019 -0.27608 0.03646 -0.34821 137 3PZ 0.08267 -0.32416 0.01171 0.01741 -0.01829 138 4XX 0.02356 -0.05801 0.01697 0.85934 0.05999 139 4YY -0.02964 0.16756 -0.00794 -0.19236 -0.03173 140 4ZZ -0.01306 -0.07223 -0.01220 -0.68200 -0.02808 141 4XY 0.06950 0.00896 0.20109 -0.06803 0.16324 142 4XZ -0.01820 -0.04099 0.00109 0.24146 0.02757 143 4YZ -0.14936 0.00981 0.08872 -0.00066 0.05276 144 14 H 1S -0.02412 0.12595 -0.00241 -0.44668 -0.02794 145 2S -0.00792 -0.03677 -0.00023 0.19001 0.00914 146 15 H 1S -0.00694 0.15020 0.00548 0.42187 0.01982 147 2S 0.01157 -0.11208 0.00145 -0.19707 -0.01380 148 16 C 1S 0.02879 -0.00654 0.03814 0.00116 0.03468 149 2S 0.09710 -0.31745 0.50813 0.09531 0.33018 150 2PX 0.04385 -0.01827 -0.02053 0.02540 0.00100 151 2PY -0.07646 -0.09382 0.06218 0.02351 0.05882 152 2PZ -0.06348 -0.00826 -0.02457 -0.00814 -0.03533 153 3S -1.28001 0.93789 -1.80276 -0.39926 -1.08582 154 3PX 0.14731 0.16027 0.46729 0.09483 0.02761 155 3PY -0.42477 0.87431 -0.75565 -0.12913 -0.58460 156 3PZ -0.05099 0.01798 0.04998 -0.08730 0.17683 157 4XX -0.19111 -0.04373 -0.04729 0.20264 0.30571 158 4YY 0.13897 -0.07581 -0.18469 -0.23056 -0.13416 159 4ZZ 0.05241 0.20751 0.16836 -0.00856 -0.19626 160 4XY -0.09248 0.14513 0.22121 0.22354 0.01185 161 4XZ -0.14072 0.07998 0.11475 0.05267 -0.15475 162 4YZ 0.04556 -0.05622 0.16463 0.18128 0.03654 163 17 H 1S -0.06823 0.14852 0.13763 0.12161 0.09013 164 2S -0.01640 0.22176 -0.17272 -0.04935 -0.16632 165 18 C 1S -0.01368 0.00140 0.00475 -0.01329 -0.00560 166 2S -0.38911 -0.04305 -0.28694 -0.33785 0.07336 167 2PX 0.02234 -0.05525 -0.03559 -0.01473 -0.00123 168 2PY -0.02791 0.05428 -0.00598 -0.11044 -0.00795 169 2PZ 0.08107 0.07373 0.02028 0.08790 -0.06779 170 3S 1.45367 -0.24222 1.23551 0.36458 0.31510 171 3PX 0.09383 -0.09084 -0.30563 0.04940 0.01740 172 3PY 0.37995 -0.15485 0.23352 0.11711 0.08563 173 3PZ -0.62283 0.08801 -0.78404 -0.32858 -0.07780 174 4XX -0.05005 -0.05796 -0.09434 -0.21851 0.05550 175 4YY -0.00079 -0.05248 -0.02119 0.16739 0.01656 176 4ZZ 0.09823 0.12036 0.19621 0.06653 -0.10347 177 4XY 0.00593 0.02967 -0.56447 0.05043 -0.33090 178 4XZ -0.15487 0.14157 0.30267 0.00926 -0.23426 179 4YZ 0.03393 0.02096 -0.15399 -0.00623 -0.07653 180 19 H 1S -0.06235 -0.00395 0.07987 -0.05087 -0.01017 181 2S 0.14868 -0.02105 0.07763 0.13917 -0.00436 182 20 C 1S -0.02053 -0.00104 -0.03571 0.01079 -0.03722 183 2S 0.07271 -0.24042 -0.49783 0.17229 -0.31403 184 2PX -0.05732 -0.01822 0.02351 0.02488 0.01008 185 2PY -0.10376 0.08625 0.06088 -0.02473 0.04753 186 2PZ 0.06709 -0.00937 0.02767 -0.01881 0.03455 187 3S 0.72356 0.69335 1.71581 -0.75827 1.09716 188 3PX -0.17087 0.14145 -0.51670 0.16043 -0.04913 189 3PY -0.04658 -0.72847 -0.68244 0.29670 -0.59030 190 3PZ -0.02098 -0.05763 -0.06197 -0.10203 -0.15817 191 4XX 0.19601 -0.04904 0.07977 0.19684 -0.29503 192 4YY -0.14551 -0.05413 0.14720 -0.19858 0.11575 193 4ZZ -0.08002 0.18531 -0.16175 -0.03802 0.19148 194 4XY -0.04454 -0.13195 0.23833 -0.24971 0.01229 195 4XZ 0.13816 0.04675 -0.09028 -0.00269 0.14028 196 4YZ 0.02153 0.05904 0.17219 -0.19133 0.00752 197 21 H 1S 0.03780 0.12858 -0.12791 0.11223 -0.08299 198 2S -0.06966 0.18814 0.16037 -0.08477 0.16476 199 22 C 1S 0.00730 0.00122 -0.00556 -0.01538 0.00538 200 2S 0.35396 -0.03298 0.27648 -0.36967 -0.10033 201 2PX -0.01630 -0.06317 0.03478 -0.00547 -0.00164 202 2PY 0.00552 -0.04449 -0.00385 0.11714 0.00168 203 2PZ -0.08690 0.06496 -0.01899 0.08210 0.07956 204 3S -1.22510 -0.07558 -1.20012 0.64762 -0.31890 205 3PX -0.01454 -0.00034 0.32558 0.06067 -0.01300 206 3PY 0.31431 0.10857 0.20547 -0.19083 0.06207 207 3PZ 0.47946 -0.00329 0.76509 -0.44843 0.06135 208 4XX 0.01369 -0.03339 0.00995 -0.20223 -0.11277 209 4YY 0.02375 -0.05505 0.10169 0.15884 0.04449 210 4ZZ -0.10441 0.09617 -0.19303 0.06238 0.10151 211 4XY 0.00124 -0.02045 -0.56523 0.05018 -0.32222 212 4XZ 0.11566 0.09187 -0.31844 -0.04318 0.22899 213 4YZ 0.05361 -0.02702 -0.12731 0.02938 -0.08893 214 23 H 1S 0.03926 0.00432 -0.08707 -0.05718 0.00861 215 2S -0.09409 0.01111 -0.07055 0.16384 0.01955 181 182 183 184 185 V V V V V Eigenvalues -- 2.43582 2.47438 2.52518 2.55594 2.57841 1 1 C 1S 0.01695 0.01193 0.03990 0.04405 -0.00038 2 2S 0.16809 0.04799 0.12579 0.08973 0.12084 3 2PX -0.00989 0.02928 -0.10560 -0.04847 -0.01076 4 2PY 0.11131 0.02265 0.15297 -0.11411 0.11146 5 2PZ 0.02969 0.00536 0.09056 0.00380 -0.04366 6 3S -0.40340 0.58209 -0.99745 -1.33610 -0.11928 7 3PX -0.28532 0.12537 -0.48317 -0.30823 -0.33026 8 3PY -0.08451 0.70450 -0.02641 -0.41391 0.62296 9 3PZ 0.23225 0.01051 0.39482 0.27005 0.27748 10 4XX -0.00262 -0.14273 0.00087 0.06456 0.04585 11 4YY -0.05294 0.04867 -0.02029 -0.20966 0.18541 12 4ZZ 0.05707 0.14588 0.05849 0.15576 -0.20590 13 4XY 0.08578 0.20564 0.10194 -0.28945 -0.17672 14 4XZ 0.11736 0.15203 0.28264 0.30896 0.04886 15 4YZ -0.04342 0.20484 -0.11460 0.01511 -0.39168 16 2 C 1S -0.03460 -0.01483 -0.10170 -0.00763 -0.01755 17 2S -0.07108 -0.08985 -0.43723 0.06592 -0.16502 18 2PX -0.03268 -0.10305 0.04150 0.00206 -0.07045 19 2PY 0.01946 0.08491 0.11343 0.04413 0.04371 20 2PZ 0.02124 0.02695 -0.02773 -0.06799 0.03560 21 3S 0.75498 -0.06984 2.63239 -0.08185 0.50308 22 3PX 0.05185 -0.42657 0.41229 -0.35208 -0.55132 23 3PY 0.54285 -1.21789 1.28781 -0.24668 0.02487 24 3PZ -0.04926 0.05967 -0.13487 0.12968 0.38993 25 4XX -0.02476 -0.20251 -0.03240 0.10896 0.26916 26 4YY 0.04946 0.05806 0.21602 -0.05609 0.05782 27 4ZZ -0.09946 0.11720 -0.30795 -0.07641 -0.33953 28 4XY 0.05892 0.07209 0.01908 -0.09228 0.06310 29 4XZ -0.20389 -0.14146 -0.55591 -0.03032 0.02018 30 4YZ 0.07188 0.07160 0.07056 0.34584 -0.05086 31 3 C 1S 0.02520 -0.06633 0.03699 -0.05594 -0.01013 32 2S 0.13392 -0.94201 0.21775 -0.35188 -0.41611 33 2PX 0.10814 0.03075 0.09409 -0.02475 0.01477 34 2PY 0.03340 0.05497 0.20606 0.19692 -0.07479 35 2PZ -0.01142 -0.09294 -0.07380 -0.05551 -0.04283 36 3S -0.51828 4.35913 -1.44499 2.45652 1.09530 37 3PX 0.10006 0.26471 0.75951 -0.37966 0.31452 38 3PY 0.05299 1.42119 0.09270 1.24662 -0.16663 39 3PZ -0.11724 1.43284 -0.62401 0.64574 0.43905 40 4XX -0.08827 0.05427 -0.05035 -0.13711 0.29093 41 4YY 0.03474 0.04973 -0.02452 0.46416 -0.22208 42 4ZZ 0.11316 0.04189 0.06689 -0.24815 -0.01454 43 4XY 0.01895 0.00065 -0.19867 -0.14078 0.32505 44 4XZ 0.03960 0.18659 0.33510 -0.13275 0.22721 45 4YZ 0.08350 0.02339 0.14209 0.39953 0.18972 46 4 C 1S 0.02463 0.06010 0.04183 0.05506 0.00690 47 2S 0.23604 0.86083 0.22034 0.34375 0.39113 48 2PX 0.09260 -0.04209 0.08526 0.03650 -0.01653 49 2PY -0.05439 0.07351 -0.20145 0.20223 -0.07452 50 2PZ 0.00086 0.09066 -0.07753 0.05475 0.04371 51 3S -0.74288 -4.15286 -1.61060 -2.40230 -1.00101 52 3PX -0.04015 -0.16470 0.79149 0.39990 -0.31740 53 3PY -0.01936 1.41500 -0.10380 1.22410 -0.15010 54 3PZ -0.19933 -1.38290 -0.65731 -0.62530 -0.39992 55 4XX -0.09328 -0.02813 -0.01915 0.12366 -0.24324 56 4YY 0.07272 -0.05229 -0.07058 -0.43915 0.17751 57 4ZZ 0.04745 -0.06142 0.08885 0.23921 0.01192 58 4XY 0.03125 -0.00532 0.18404 -0.18107 0.35679 59 4XZ 0.01105 -0.16856 0.33263 0.14487 -0.21438 60 4YZ -0.04943 0.04878 -0.15347 0.41051 0.19906 61 5 C 1S -0.02934 0.01817 -0.10205 0.01157 0.02006 62 2S -0.01933 0.08608 -0.46446 -0.04281 0.17931 63 2PX -0.01440 0.10960 0.03243 -0.00410 0.06953 64 2PY -0.01323 0.07487 -0.11134 0.05081 0.03823 65 2PZ 0.02093 -0.02665 -0.03007 0.06974 -0.03631 66 3S 0.55099 0.01619 2.71415 -0.03162 -0.53936 67 3PX 0.05661 0.31384 0.36367 0.30821 0.52879 68 3PY -0.54876 -1.14451 -1.34873 -0.23658 0.03711 69 3PZ -0.05935 -0.03346 -0.14870 -0.12289 -0.39288 70 4XX 0.00219 0.21716 -0.05095 -0.11501 -0.24540 71 4YY 0.03479 -0.06916 0.22519 0.04703 -0.09233 72 4ZZ -0.11091 -0.11039 -0.28895 0.09290 0.35487 73 4XY -0.00802 0.06390 -0.01918 -0.08399 0.07656 74 4XZ -0.17992 0.16757 -0.56594 0.06735 -0.02230 75 4YZ -0.04870 0.06829 -0.02969 0.33527 -0.06013 76 6 C 1S 0.01637 -0.01278 0.03817 -0.04480 0.00068 77 2S 0.13669 -0.06510 0.12097 -0.09272 -0.12592 78 2PX -0.02295 -0.02592 -0.11334 0.04327 0.01567 79 2PY -0.08763 0.03604 -0.15428 -0.11676 0.10837 80 2PZ 0.02824 -0.00744 0.09377 -0.00513 0.04570 81 3S -0.34767 -0.56944 -0.95461 1.36384 0.12792 82 3PX -0.21870 -0.05539 -0.47274 0.29346 0.37924 83 3PY 0.17133 0.67247 0.04413 -0.42806 0.59304 84 3PZ 0.17158 -0.03347 0.39325 -0.27741 -0.28679 85 4XX 0.03396 0.16314 -0.02676 -0.09339 -0.06055 86 4YY -0.07843 -0.06048 0.00801 0.23577 -0.17352 87 4ZZ 0.04182 -0.15084 0.06017 -0.15192 0.21285 88 4XY -0.04834 0.19748 -0.12909 -0.26885 -0.19102 89 4XZ 0.11182 -0.14600 0.27318 -0.31671 -0.07819 90 4YZ 0.07710 0.21088 0.07507 0.03253 -0.37935 91 7 H 1S -0.02615 0.10771 0.02702 0.21652 -0.02574 92 2S -0.09682 0.08292 -0.12067 -0.19618 0.01561 93 8 H 1S -0.01688 -0.02766 -0.05022 -0.13399 -0.02118 94 2S 0.02199 0.27375 -0.12011 0.36215 -0.02051 95 9 H 1S 0.01794 0.03507 -0.04445 0.14562 0.01721 96 2S 0.01639 -0.28154 -0.12864 -0.35553 0.02690 97 10 H 1S -0.03049 -0.09929 0.01776 -0.22136 0.02093 98 2S -0.09150 -0.06901 -0.11399 0.19821 -0.00892 99 11 O 1S 0.00235 0.00556 0.00981 0.00044 -0.00014 100 2S -0.10733 0.16510 -0.24819 0.04659 -0.01852 101 2PX -0.00240 -0.02007 -0.00240 -0.01972 -0.00843 102 2PY -0.04356 -0.02882 -0.11304 0.02590 -0.03088 103 2PZ -0.00197 -0.00403 -0.01334 0.02280 0.00428 104 3S 0.25291 -0.92438 0.39751 -0.16429 -0.08376 105 3PX 0.02569 0.07325 -0.07208 0.09275 0.12428 106 3PY 0.05569 -0.17482 0.10435 -0.04566 -0.00143 107 3PZ 0.02993 0.00445 0.05429 0.05550 -0.09298 108 4XX 0.00284 0.00785 -0.06604 -0.03340 -0.12844 109 4YY -0.01600 0.09457 0.09821 -0.00654 0.04127 110 4ZZ 0.01075 -0.08775 -0.00468 0.05515 0.07053 111 4XY 0.06347 0.06885 -0.06829 -0.01464 0.15838 112 4XZ 0.04755 0.02073 0.10835 0.01335 -0.03027 113 4YZ 0.04321 0.05815 0.03141 0.30616 -0.10085 114 12 O 1S 0.00173 -0.00615 0.00979 -0.00081 0.00021 115 2S -0.11212 -0.14381 -0.25004 -0.03562 0.04464 116 2PX 0.00130 0.01642 0.00697 0.02075 0.00553 117 2PY 0.03386 -0.03527 0.11544 0.01619 -0.04599 118 2PZ 0.00100 0.00446 -0.01374 -0.02157 -0.00449 119 3S 0.31508 0.85956 0.40041 0.16059 0.03354 120 3PX 0.00269 -0.08038 -0.08356 -0.08552 -0.11610 121 3PY -0.07340 -0.15594 -0.09707 -0.03569 0.02624 122 3PZ 0.02187 -0.01289 0.05563 -0.05488 0.09854 123 4XX -0.00696 -0.00720 -0.05200 0.03766 0.14938 124 4YY -0.01848 -0.09416 0.08965 0.00092 -0.06022 125 4ZZ 0.02472 0.08384 -0.01223 -0.05218 -0.06487 126 4XY -0.02078 0.06941 0.07016 -0.02856 0.13725 127 4XZ 0.03573 -0.02232 0.10871 0.00466 0.02593 128 4YZ -0.03415 0.06760 -0.03449 0.30017 -0.11426 129 13 C 1S -0.08353 0.00913 0.04443 -0.00425 0.00178 130 2S -0.25918 0.02899 0.13627 -0.01522 0.00386 131 2PX -0.16669 0.00745 0.06405 -0.00600 0.00137 132 2PY -0.01077 -0.23900 -0.00954 -0.00420 -0.03013 133 2PZ 0.16814 -0.01951 -0.06516 0.00663 -0.00261 134 3S 2.51520 -0.26574 -1.30571 0.12651 -0.02669 135 3PX -1.11664 0.10398 0.63306 -0.05613 0.01124 136 3PY 0.03002 -0.28937 -0.04483 0.00653 -0.00427 137 3PZ 0.57329 -0.06511 -0.32129 0.02954 -0.01371 138 4XX -0.10836 0.00605 0.12085 -0.00287 0.00286 139 4YY 0.30019 -0.04173 -0.24497 0.00932 -0.00436 140 4ZZ -0.27469 0.04378 0.17226 -0.01030 0.00296 141 4XY 0.02216 0.06887 -0.00483 0.01458 -0.03962 142 4XZ -0.62919 0.06078 0.13424 -0.02343 0.01827 143 4YZ 0.04563 0.03855 -0.02290 -0.06679 0.12525 144 14 H 1S 0.18698 -0.01265 -0.07016 0.00420 -0.00439 145 2S 0.08899 -0.01393 -0.07270 0.00598 -0.00076 146 15 H 1S -0.00613 -0.00800 0.02314 -0.00418 0.00030 147 2S -0.04983 0.00720 -0.11371 0.00512 -0.00451 148 16 C 1S 0.06719 0.08061 -0.01689 -0.00481 0.01340 149 2S 0.14544 1.22559 -0.04989 -0.04412 0.53062 150 2PX -0.09209 -0.01329 0.01964 0.00148 -0.02635 151 2PY -0.12574 0.20498 0.03168 -0.01044 0.13233 152 2PZ 0.00074 -0.00403 -0.01906 0.08503 0.05705 153 3S -2.15541 -3.24699 0.75442 0.53620 -0.62770 154 3PX -0.17664 0.89775 0.12505 -0.11043 0.36267 155 3PY -1.00250 -1.79048 0.50569 0.11785 -0.48596 156 3PZ -0.22071 -0.34887 0.07235 0.20023 0.19328 157 4XX 0.27689 -0.12689 -0.02293 -0.02421 -0.07362 158 4YY -0.31698 -0.10094 -0.03720 -0.03668 -0.04187 159 4ZZ 0.12328 0.06860 0.07333 0.03792 0.00096 160 4XY -0.26951 0.20758 0.12955 -0.02852 0.14615 161 4XZ 0.44087 0.15247 -0.23848 -0.02094 -0.11163 162 4YZ -0.04176 0.00252 -0.10033 0.06550 0.08777 163 17 H 1S 0.16319 0.06137 0.06088 -0.01911 0.00003 164 2S -0.19089 -0.51680 0.12840 0.03531 -0.17175 165 18 C 1S -0.02585 -0.00027 0.00675 0.03655 0.03261 166 2S -0.17093 0.18953 -0.05011 0.11167 0.19460 167 2PX 0.03323 0.03366 -0.01562 0.01246 -0.00813 168 2PY -0.08216 0.00221 0.00217 -0.14150 -0.09184 169 2PZ -0.06290 -0.13686 0.08041 -0.00808 -0.03738 170 3S 0.94814 1.53807 -0.26506 -1.53688 -0.88354 171 3PX 0.11635 0.30269 -0.00626 -0.21311 -0.13586 172 3PY 0.08537 0.14759 0.09989 -0.59984 -0.39260 173 3PZ -0.53501 -0.73043 0.06917 0.66954 0.25528 174 4XX -0.26774 -0.05503 0.03292 0.23520 0.20425 175 4YY 0.01229 -0.07048 0.00094 -0.21322 -0.17200 176 4ZZ 0.25606 0.08627 -0.01677 -0.01328 -0.05380 177 4XY 0.06519 0.38249 -0.03081 -0.00829 -0.01778 178 4XZ -0.03907 0.20754 -0.01982 0.01484 0.16331 179 4YZ 0.01497 0.22388 -0.09092 0.00356 0.03729 180 19 H 1S -0.08887 0.08076 -0.01331 0.00213 0.09288 181 2S 0.12445 0.08982 0.05823 -0.22804 -0.13227 182 20 C 1S 0.05587 -0.09154 -0.02074 0.00695 -0.01251 183 2S -0.05921 -1.22079 -0.03325 0.05530 -0.51597 184 2PX -0.07199 0.04696 0.01451 -0.00767 0.04319 185 2PY 0.17358 0.16637 -0.04623 -0.00269 0.12341 186 2PZ 0.00562 0.00835 -0.01432 -0.07800 -0.06289 187 3S -1.68573 3.59256 0.84650 -0.67401 0.59060 188 3PX -0.25540 -0.94585 0.10022 0.09268 -0.35050 189 3PY 0.74183 -1.88593 -0.55347 0.19996 -0.45443 190 3PZ -0.16960 0.39433 0.07200 -0.19741 -0.19473 191 4XX 0.32470 0.07333 -0.04029 0.03684 0.08179 192 4YY -0.32482 0.15765 -0.02259 0.01439 0.05101 193 4ZZ 0.11007 -0.08960 0.06358 -0.03300 -0.02074 194 4XY 0.26002 0.16212 -0.14310 -0.00336 0.12309 195 4XZ 0.37898 -0.25751 -0.23216 0.05086 0.10716 196 4YZ 0.00830 0.02841 0.12542 0.04796 0.08446 197 21 H 1S 0.14930 -0.09622 0.06447 0.02210 -0.00603 198 2S -0.10391 0.53838 0.13231 -0.05194 0.16491 199 22 C 1S -0.02393 0.00549 0.00690 -0.03694 -0.03369 200 2S -0.21867 -0.13334 -0.00571 -0.11237 -0.18900 201 2PX 0.03253 -0.04036 -0.01696 -0.02082 0.00344 202 2PY 0.08810 -0.01650 -0.01556 -0.13786 -0.09060 203 2PZ -0.03251 0.14515 0.07456 0.00468 0.02923 204 3S 0.72489 -1.71818 -0.39398 1.56881 0.90525 205 3PX 0.08557 -0.31744 -0.02206 0.17326 0.10749 206 3PY -0.06321 0.18749 -0.05328 -0.61743 -0.39633 207 3PZ -0.44327 0.83867 0.13447 -0.68654 -0.26995 208 4XX -0.22368 0.15727 0.02933 -0.23916 -0.20738 209 4YY 0.00601 0.01036 0.01844 0.21482 0.16726 210 4ZZ 0.22957 -0.13553 -0.03945 0.01337 0.06003 211 4XY 0.04245 0.37861 0.01473 0.02991 0.01737 212 4XZ -0.10374 -0.17875 -0.00251 -0.01569 -0.16696 213 4YZ 0.02995 0.24770 0.08437 0.00745 0.04469 214 23 H 1S -0.09772 -0.06757 -0.00955 -0.00449 -0.09304 215 2S 0.11540 -0.11511 0.03892 0.23046 0.13504 186 187 188 189 190 V V V V V Eigenvalues -- 2.60478 2.61530 2.62761 2.63829 2.65336 1 1 C 1S 0.00330 0.01483 -0.00829 -0.01747 -0.02062 2 2S -0.05069 -0.03697 0.10182 -0.23164 0.06110 3 2PX -0.03608 -0.05491 0.03834 -0.01774 0.06931 4 2PY 0.04246 0.10110 -0.05818 -0.02796 -0.10184 5 2PZ 0.02159 0.05830 -0.04841 0.00564 -0.06118 6 3S 0.16523 0.01887 -0.10855 1.02399 0.27662 7 3PX 0.09399 -0.01683 -0.18689 0.50067 0.03084 8 3PY -0.05532 -0.14400 -0.10221 0.13154 -0.09436 9 3PZ -0.05298 0.00823 0.15916 -0.34729 -0.02319 10 4XX 0.00169 0.10150 -0.15875 -0.05884 -0.12548 11 4YY -0.07066 -0.10515 0.13111 -0.02428 0.09601 12 4ZZ 0.10887 0.07763 -0.07311 0.11507 -0.08619 13 4XY 0.06101 0.08938 -0.08000 0.10900 -0.09513 14 4XZ -0.07655 -0.02309 0.10697 -0.17779 0.00535 15 4YZ -0.04593 -0.09160 0.07944 0.14868 0.07438 16 2 C 1S 0.01038 -0.00832 -0.03662 0.02314 -0.00095 17 2S 0.13093 0.01976 -0.24675 -0.02949 0.06413 18 2PX -0.08966 0.00070 0.00400 -0.03883 -0.02599 19 2PY 0.00092 0.01427 0.02105 -0.09654 -0.01433 20 2PZ -0.10102 0.00234 -0.04167 -0.06838 -0.01335 21 3S -0.08689 0.67243 0.61648 -0.79580 -0.35652 22 3PX -0.07682 0.29269 0.29803 0.05050 0.13421 23 3PY -0.20325 0.02045 0.74798 -0.17982 -0.04954 24 3PZ -0.23266 -0.24231 -0.20283 -0.12079 -0.24032 25 4XX 0.18428 0.20982 -0.20272 -0.05332 -0.14273 26 4YY -0.28628 -0.25291 0.38509 -0.07366 0.22764 27 4ZZ 0.10141 0.04584 -0.22820 0.19713 -0.14518 28 4XY 0.34874 -0.02870 0.20246 0.24912 0.16808 29 4XZ -0.02563 -0.25627 0.12117 0.08272 0.25503 30 4YZ 0.50600 0.03063 0.14109 0.22176 0.14506 31 3 C 1S 0.00176 0.01083 0.00565 0.01953 -0.00660 32 2S -0.04549 0.03003 0.26699 0.05900 0.10532 33 2PX -0.00003 0.07480 -0.04127 -0.05272 -0.05557 34 2PY 0.02895 0.09166 -0.03687 -0.05869 -0.10100 35 2PZ -0.02803 -0.02718 0.04820 -0.05504 0.06787 36 3S 0.02109 -0.46212 -0.79912 -0.86477 -0.15697 37 3PX -0.00201 0.19130 0.35773 -0.41067 0.00817 38 3PY 0.07137 0.20341 0.11941 -0.47431 0.13440 39 3PZ 0.08584 -0.13304 -0.36352 0.26642 -0.05969 40 4XX 0.15595 0.06512 -0.05823 0.11089 -0.02392 41 4YY -0.06075 -0.10197 0.08903 -0.16013 0.09947 42 4ZZ -0.07333 0.05670 -0.14982 0.01709 -0.13539 43 4XY -0.06357 -0.11258 0.07084 -0.02020 0.11515 44 4XZ -0.00322 0.03977 0.16633 -0.01664 0.02221 45 4YZ 0.02514 0.10881 -0.03256 -0.21830 -0.05876 46 4 C 1S 0.00401 0.01065 0.00512 -0.02076 -0.00812 47 2S -0.03923 0.02507 0.25928 -0.04920 0.07091 48 2PX 0.00041 0.07096 -0.04210 0.04501 -0.05516 49 2PY -0.03351 -0.09624 0.04288 -0.06113 0.11153 50 2PZ -0.03346 -0.03106 0.05002 0.05705 0.05964 51 3S -0.07792 -0.47125 -0.75494 0.82997 -0.01939 52 3PX 0.01516 0.17346 0.32001 0.41122 -0.05359 53 3PY -0.07783 -0.18419 -0.12979 -0.49876 -0.15044 54 3PZ 0.05504 -0.12402 -0.34468 -0.27385 0.03677 55 4XX 0.15751 0.07819 -0.06652 -0.11293 -0.01823 56 4YY -0.05632 -0.11642 0.08950 0.15567 0.09418 57 4ZZ -0.07407 0.05397 -0.13899 -0.02310 -0.13340 58 4XY 0.04996 0.08236 -0.05569 0.00206 -0.11060 59 4XZ 0.00245 0.03997 0.15545 0.02177 0.02621 60 4YZ -0.04457 -0.12155 0.02680 -0.21678 0.08320 61 5 C 1S 0.00700 -0.00991 -0.03355 -0.02499 0.00315 62 2S 0.11088 0.00745 -0.22902 0.03090 0.06376 63 2PX -0.08793 -0.00030 0.00730 0.03356 -0.03253 64 2PY -0.00111 -0.01910 -0.01508 -0.10146 0.02537 65 2PZ -0.10279 0.00554 -0.04146 0.06289 -0.01472 66 3S 0.03851 0.71641 0.51036 0.79310 -0.51136 67 3PX -0.05592 0.24844 0.25203 -0.04381 0.13377 68 3PY 0.15029 -0.06090 -0.72177 -0.20686 0.14703 69 3PZ -0.22477 -0.19906 -0.20792 0.08410 -0.25003 70 4XX 0.15152 0.21510 -0.22472 0.06590 -0.16438 71 4YY -0.23962 -0.24699 0.39761 0.06613 0.23835 72 4ZZ 0.08773 0.03512 -0.21746 -0.20878 -0.12435 73 4XY -0.38655 -0.00333 -0.14212 0.23572 -0.14923 74 4XZ -0.07142 -0.26160 0.12013 -0.06420 0.25401 75 4YZ -0.50124 0.00101 -0.13938 0.20630 -0.17058 76 6 C 1S 0.00450 0.01485 -0.00887 0.01633 -0.02246 77 2S -0.03974 -0.02889 0.08648 0.22882 0.02796 78 2PX -0.04176 -0.06173 0.04273 0.01754 0.07487 79 2PY -0.05072 -0.10803 0.06650 -0.02220 0.10538 80 2PZ 0.02303 0.05808 -0.04738 -0.00791 -0.06155 81 3S 0.08986 0.00433 -0.04266 -0.99835 0.46462 82 3PX 0.05760 -0.03878 -0.13507 -0.48671 0.11731 83 3PY 0.04907 0.09366 0.11644 0.17288 0.03890 84 3PZ -0.02221 0.03479 0.12368 0.34748 -0.08430 85 4XX -0.00981 0.08873 -0.13675 0.06120 -0.11106 86 4YY -0.04820 -0.07602 0.10380 0.02305 0.07490 87 4ZZ 0.10210 0.06493 -0.06927 -0.12233 -0.07421 88 4XY -0.06159 -0.10680 0.10314 0.11268 0.09966 89 4XZ -0.05905 -0.01087 0.09310 0.18938 -0.01922 90 4YZ 0.05666 0.10459 -0.09658 0.13174 -0.08438 91 7 H 1S -0.06825 -0.08986 0.07508 -0.04158 0.04737 92 2S 0.04660 0.01563 -0.13443 0.14253 -0.06052 93 8 H 1S 0.02106 -0.03507 0.08860 0.16361 0.08909 94 2S 0.04853 -0.00935 -0.10626 0.11023 -0.06663 95 9 H 1S 0.01721 -0.03465 0.08406 -0.15896 0.10625 96 2S 0.05408 -0.00579 -0.10440 -0.11954 -0.04144 97 10 H 1S -0.06448 -0.09182 0.07793 0.04459 0.04448 98 2S 0.03883 0.01720 -0.12542 -0.14661 -0.03451 99 11 O 1S 0.00418 0.00702 -0.00171 -0.00245 0.00336 100 2S 0.18007 0.22578 -0.43328 0.05134 -0.24501 101 2PX 0.00853 0.01773 -0.00656 0.01796 -0.02635 102 2PY 0.10332 0.13799 -0.22786 0.01727 -0.14965 103 2PZ 0.00548 -0.00189 -0.00560 0.00374 -0.00941 104 3S -0.35283 -0.44502 0.84174 -0.02053 0.31875 105 3PX 0.16962 -0.06715 0.02194 0.04486 0.07671 106 3PY -0.18059 -0.21387 0.33421 -0.03714 0.16236 107 3PZ 0.24548 0.04939 0.10067 0.12067 0.12215 108 4XX 0.11340 0.04757 -0.06671 0.08680 0.01324 109 4YY -0.12095 -0.01285 0.02088 -0.08921 -0.03682 110 4ZZ 0.09049 0.09007 -0.06891 -0.01256 -0.02524 111 4XY 0.37307 -0.02279 0.10445 0.18488 0.12055 112 4XZ 0.08823 0.06384 -0.03884 0.04296 -0.04414 113 4YZ 0.49977 0.03055 0.15331 0.22502 0.17432 114 12 O 1S 0.00411 0.00670 -0.00179 0.00312 0.00293 115 2S 0.17242 0.21871 -0.42332 -0.07778 -0.22607 116 2PX 0.00267 0.00864 0.00806 -0.01792 -0.01584 117 2PY -0.10140 -0.13595 0.22357 0.03080 0.14721 118 2PZ 0.00580 -0.00121 -0.00607 -0.00546 -0.00922 119 3S -0.33546 -0.42901 0.82658 0.06582 0.26870 120 3PX 0.17971 -0.04808 -0.00641 -0.04364 0.06760 121 3PY 0.16561 0.21069 -0.32999 -0.05223 -0.15513 122 3PZ 0.24196 0.03466 0.09912 -0.10116 0.12747 123 4XX 0.06702 0.04351 -0.07486 -0.06506 0.00154 124 4YY -0.07497 -0.00997 0.02879 0.06768 -0.02546 125 4ZZ 0.08983 0.08786 -0.06810 0.01232 -0.02828 126 4XY -0.39047 0.01680 -0.08229 0.18865 -0.13169 127 4XZ 0.05559 0.06021 -0.04797 -0.02796 -0.05374 128 4YZ -0.50111 -0.01466 -0.14455 0.20207 -0.18101 129 13 C 1S -0.00445 0.02957 -0.00525 0.00178 0.04843 130 2S 0.09248 0.15219 0.21015 0.00416 0.09607 131 2PX -0.03279 0.01506 -0.06805 0.01133 0.09810 132 2PY -0.00395 -0.00598 0.00195 0.24249 -0.01338 133 2PZ 0.00268 -0.02141 0.02578 -0.00207 -0.06248 134 3S -0.13735 -0.35044 -0.28823 -0.01684 -0.92767 135 3PX 0.08585 0.28845 0.25004 0.03440 0.29654 136 3PY -0.01864 -0.02081 -0.01149 0.44906 -0.03090 137 3PZ 0.00592 -0.06839 -0.03715 0.01305 -0.11527 138 4XX 0.06353 -0.06446 -0.12356 -0.01171 0.08296 139 4YY -0.07223 0.23551 0.44165 -0.00299 -0.34268 140 4ZZ -0.03835 -0.17262 -0.37865 0.01540 0.29072 141 4XY 0.00170 0.01929 0.02655 -0.20869 -0.00973 142 4XZ -0.01098 0.34708 0.17249 0.00562 0.10896 143 4YZ -0.00211 -0.01725 -0.00276 0.07844 -0.01422 144 14 H 1S -0.03204 -0.04759 0.00807 -0.00354 -0.02560 145 2S -0.01831 -0.05170 -0.06454 -0.00522 0.02502 146 15 H 1S 0.03013 0.14532 0.22989 -0.00364 -0.08449 147 2S 0.03070 -0.14452 -0.09452 0.00487 0.03150 148 16 C 1S -0.00853 0.02031 -0.01096 -0.07323 0.02252 149 2S 0.00973 0.15719 -0.08035 -0.53966 0.01504 150 2PX -0.01547 0.06394 -0.01712 -0.03080 0.09898 151 2PY 0.02279 0.00414 -0.01817 -0.00658 0.01307 152 2PZ 0.04896 -0.19787 0.03087 0.23423 -0.21060 153 3S 0.20157 -0.75917 0.44163 3.31301 -0.61014 154 3PX -0.01541 0.22738 -0.10642 -0.24777 0.28642 155 3PY 0.02633 -0.31982 0.08456 1.73329 -0.11596 156 3PZ 0.13404 -0.59282 0.12887 0.72709 -0.78582 157 4XX -0.01765 -0.04241 -0.20771 -0.23578 0.27255 158 4YY -0.10560 0.48995 0.29619 0.11083 0.00005 159 4ZZ 0.12013 -0.51495 -0.07884 0.18830 -0.27745 160 4XY 0.00215 0.07791 -0.11788 0.03387 0.24169 161 4XZ -0.09834 0.31722 0.16401 -0.31075 0.08360 162 4YZ 0.10292 -0.15246 0.28774 0.11506 -0.49058 163 17 H 1S 0.03104 -0.22082 -0.24454 -0.03715 0.14672 164 2S -0.02417 -0.04143 0.11401 0.41737 -0.16552 165 18 C 1S 0.00874 -0.03885 0.00916 0.08783 -0.04341 166 2S -0.08686 -0.03378 -0.09411 0.35561 -0.09374 167 2PX -0.01583 0.06041 -0.01897 -0.04982 0.07351 168 2PY 0.02711 -0.13115 -0.06572 -0.16966 -0.02464 169 2PZ 0.08368 -0.24094 0.01572 0.10939 -0.16297 170 3S -0.05976 0.93628 -0.24954 -4.92336 1.23883 171 3PX -0.05403 0.20050 -0.01754 -0.68873 0.18124 172 3PY 0.06559 0.01356 0.15032 -1.67777 -0.16620 173 3PZ 0.06827 -0.57800 0.05548 1.95907 -0.62444 174 4XX 0.04793 -0.19228 0.01166 0.51596 -0.17231 175 4YY 0.05889 -0.04820 0.14758 -0.31840 -0.18047 176 4ZZ -0.08952 0.25866 -0.13127 -0.21041 0.40717 177 4XY 0.03069 -0.07459 -0.02192 -0.03758 -0.02079 178 4XZ 0.05591 -0.13775 0.14605 0.25706 -0.29386 179 4YZ -0.06985 0.28627 0.14328 -0.07561 0.07199 180 19 H 1S -0.01084 0.06378 0.13857 0.07691 -0.13811 181 2S -0.01609 0.12488 -0.00365 -0.60759 0.14143 182 20 C 1S -0.01265 0.01713 -0.01170 0.07571 0.01841 183 2S -0.01066 0.14474 -0.08462 0.54736 -0.00506 184 2PX -0.01979 0.06458 -0.01527 0.04089 0.09870 185 2PY -0.02322 -0.01100 0.02120 -0.01135 -0.02385 186 2PZ 0.05886 -0.19117 0.03343 -0.25046 -0.19295 187 3S 0.36930 -0.63761 0.45688 -3.39937 -0.41000 188 3PX -0.03703 0.23800 -0.11279 0.40061 0.29366 189 3PY -0.10149 0.24778 -0.08986 1.73694 -0.01532 190 3PZ 0.16623 -0.56372 0.12471 -0.79456 -0.73141 191 4XX -0.02760 -0.06153 -0.19745 0.25179 0.21468 192 4YY -0.10159 0.49866 0.28062 -0.11086 0.04446 193 4ZZ 0.12447 -0.50774 -0.07468 -0.20421 -0.26123 194 4XY -0.00981 -0.04311 0.15575 -0.01930 -0.26523 195 4XZ -0.11643 0.32062 0.14428 0.32405 0.09130 196 4YZ -0.09789 0.12994 -0.29675 0.13173 0.47650 197 21 H 1S 0.02710 -0.22113 -0.24693 0.05115 0.14496 198 2S -0.00456 -0.03030 0.11750 -0.43793 -0.13898 199 22 C 1S 0.01263 -0.03542 0.00913 -0.09139 -0.03629 200 2S -0.06421 -0.00819 -0.09689 -0.36133 -0.05342 201 2PX -0.02024 0.06988 -0.01439 0.04432 0.07373 202 2PY -0.01694 0.13434 0.06904 -0.16991 0.02678 203 2PZ 0.08643 -0.24186 0.01625 -0.12387 -0.15795 204 3S -0.29046 0.73829 -0.25921 5.03417 0.86883 205 3PX -0.08359 0.18167 -0.03409 0.58706 0.15511 206 3PY 0.00729 0.03800 -0.13876 -1.70269 0.28931 207 3PZ 0.16350 -0.49298 0.06094 -2.02180 -0.46982 208 4XX 0.06499 -0.16450 0.01133 -0.52755 -0.12728 209 4YY 0.04699 -0.06637 0.14361 0.30265 -0.19681 210 4ZZ -0.09805 0.24800 -0.12691 0.24078 0.37835 211 4XY -0.02934 0.08798 0.02865 0.03809 0.01916 212 4XZ 0.07380 -0.15150 0.13734 -0.29216 -0.27947 213 4YZ 0.06861 -0.26739 -0.13997 -0.05616 -0.06015 214 23 H 1S -0.00601 0.06330 0.12991 -0.08998 -0.12521 215 2S -0.04231 0.10271 -0.00493 0.62196 0.08919 191 192 193 194 195 V V V V V Eigenvalues -- 2.66445 2.67195 2.70893 2.77081 2.82556 1 1 C 1S 0.01779 -0.03224 0.02493 0.09928 -0.02051 2 2S 0.07564 -0.06493 -0.17285 0.56366 -0.01255 3 2PX -0.02081 0.01317 0.00221 -0.02996 -0.03947 4 2PY 0.09301 0.13033 -0.43168 -0.23378 0.03386 5 2PZ 0.03890 -0.02981 -0.01227 0.02514 0.04359 6 3S -1.20061 1.15791 -0.73960 -7.04170 -0.69312 7 3PX -0.58713 0.31253 0.27808 -2.53482 0.18806 8 3PY 0.10398 0.25124 -0.67528 -1.89098 -1.87917 9 3PZ 0.54571 -0.21796 -0.18613 2.05767 -0.36300 10 4XX 0.01524 -0.09902 0.33861 0.09518 -0.08295 11 4YY 0.12930 0.20961 -0.65271 -0.43689 0.06956 12 4ZZ -0.07574 -0.10904 0.25769 0.26962 -0.05518 13 4XY 0.16556 0.10375 -0.31512 0.07926 -0.42804 14 4XZ 0.13749 -0.17176 -0.05447 0.39872 -0.07409 15 4YZ 0.07103 -0.15163 0.20562 -0.05354 0.37685 16 2 C 1S -0.02896 0.01252 0.06378 -0.09764 -0.04910 17 2S -0.30892 0.21685 0.10825 -0.75033 -0.49950 18 2PX 0.05930 -0.00688 -0.05880 -0.07940 0.26089 19 2PY 0.03351 -0.02788 -0.22603 0.19806 0.15244 20 2PZ 0.05096 -0.01968 0.05257 0.08970 -0.18926 21 3S 1.24773 -0.56402 -2.01142 4.19796 2.19708 22 3PX -0.14456 0.11233 -0.71865 -0.48279 2.47528 23 3PY 1.03209 0.07196 -0.70160 3.45365 1.72518 24 3PZ 0.52975 -0.24634 0.35249 0.79293 -1.57959 25 4XX -0.08794 0.10055 -0.01950 -0.10127 0.07326 26 4YY 0.12436 -0.11229 -0.00818 0.20745 0.01567 27 4ZZ 0.02139 -0.00871 0.09398 -0.19196 -0.11425 28 4XY -0.25111 0.24085 -0.18058 0.04221 0.21318 29 4XZ -0.15589 0.09372 0.23271 -0.18902 -0.09942 30 4YZ -0.32716 0.12996 -0.05567 0.22563 -0.11144 31 3 C 1S 0.00802 0.00684 -0.03127 0.06314 0.11787 32 2S 0.14354 0.33875 -0.57510 0.96226 0.94877 33 2PX 0.04201 0.04047 -0.04191 0.08946 0.08524 34 2PY 0.06673 0.01677 -0.17776 -0.03751 -0.19502 35 2PZ -0.02197 0.06289 0.00805 0.03806 0.06187 36 3S -1.15700 -0.70418 2.23371 -5.61111 -6.55161 37 3PX 0.12826 0.01308 -0.71672 0.63554 1.84556 38 3PY -0.48546 -0.23448 -0.46403 -2.28530 -0.81293 39 3PZ -0.42525 -0.30450 1.11230 -1.54432 -2.24313 40 4XX -0.29433 0.02470 0.31208 -0.06047 0.05489 41 4YY 0.14111 0.01613 -0.39254 -0.10211 -0.50561 42 4ZZ 0.13026 -0.14377 0.17781 -0.09620 0.29099 43 4XY 0.02640 0.01631 0.27512 0.21435 -0.35068 44 4XZ -0.01210 0.04017 -0.27895 0.13748 0.34591 45 4YZ 0.06095 -0.04188 -0.10068 -0.34317 0.16430 46 4 C 1S -0.00759 -0.00631 0.03042 -0.06176 -0.11818 47 2S -0.13336 -0.35163 0.57326 -0.95183 -0.95198 48 2PX -0.03907 -0.04045 0.03169 -0.09178 -0.09873 49 2PY 0.06541 0.02478 -0.17472 -0.03605 -0.18657 50 2PZ 0.02014 -0.06308 -0.00317 -0.04047 -0.05757 51 3S 1.13725 0.76082 -2.21465 5.58695 6.59092 52 3PX -0.15802 -0.06366 0.68550 -0.76040 -1.87558 53 3PY -0.47153 -0.22052 -0.51371 -2.23231 -0.67889 54 3PZ 0.42771 0.32675 -1.10931 1.57138 2.27492 55 4XX 0.29231 -0.02883 -0.28297 0.07371 -0.09448 56 4YY -0.14500 -0.00858 0.36965 0.07335 0.54086 57 4ZZ -0.12672 0.15125 -0.18478 0.11252 -0.28623 58 4XY -0.00035 0.00595 0.30760 0.21571 -0.31963 59 4XZ 0.01253 -0.06415 0.27144 -0.16751 -0.33786 60 4YZ 0.05586 -0.03683 -0.12025 -0.34252 0.17513 61 5 C 1S 0.02954 -0.00912 -0.06330 0.09808 0.04933 62 2S 0.32316 -0.20461 -0.11465 0.75905 0.49820 63 2PX -0.05727 0.00389 0.04566 0.09210 -0.25333 64 2PY 0.03871 -0.02222 -0.23238 0.19061 0.16804 65 2PZ -0.05364 0.02285 -0.05060 -0.09146 0.19076 66 3S -1.27660 0.48349 1.98774 -4.20621 -2.23371 67 3PX 0.21059 -0.14128 0.66127 0.70268 -2.35857 68 3PY 1.01598 0.11782 -0.76232 3.43551 1.91855 69 3PZ -0.54610 0.27592 -0.35124 -0.80639 1.59438 70 4XX 0.06408 -0.07374 -0.01404 0.10616 -0.04492 71 4YY -0.10583 0.07834 0.04792 -0.21936 -0.04415 72 4ZZ -0.01869 0.02128 -0.09738 0.19889 0.11131 73 4XY -0.27720 0.25944 -0.17307 0.01761 0.21136 74 4XZ 0.13063 -0.07291 -0.21892 0.19838 0.09666 75 4YZ -0.34670 0.14766 -0.03484 0.21630 -0.11946 76 6 C 1S -0.01795 0.03181 -0.02590 -0.09931 0.02032 77 2S -0.08203 0.06513 0.17848 -0.56390 0.01268 78 2PX 0.02489 -0.00228 -0.02473 0.01421 0.04270 79 2PY 0.09088 0.13239 -0.42483 -0.23656 0.03278 80 2PZ -0.03918 0.02648 0.01100 -0.02457 -0.04550 81 3S 1.21777 -1.15611 0.73944 7.04599 0.69999 82 3PX 0.60034 -0.28852 -0.32224 2.41492 -0.30054 83 3PY 0.07108 0.26270 -0.65739 -2.05474 -1.86642 84 3PZ -0.54904 0.21108 0.19239 -2.05271 0.36545 85 4XX 0.00468 0.11393 -0.37469 -0.08208 0.03782 86 4YY -0.14726 -0.22461 0.68993 0.42248 -0.02102 87 4ZZ 0.07645 0.11070 -0.26630 -0.26752 0.05235 88 4XY 0.15457 0.08239 -0.23392 0.11231 -0.43453 89 4XZ -0.13633 0.15515 0.07143 -0.40453 0.09753 90 4YZ 0.08095 -0.16211 0.19275 -0.03189 0.37023 91 7 H 1S -0.00452 -0.13963 0.13328 -0.02476 0.13561 92 2S -0.10550 0.12742 -0.07921 -0.78583 -0.20757 93 8 H 1S -0.10493 0.07386 -0.04678 0.21368 -0.05529 94 2S -0.02936 -0.12706 0.09084 -0.46270 -0.41829 95 9 H 1S 0.10051 -0.07778 0.05137 -0.22309 0.04962 96 2S 0.03590 0.13350 -0.09705 0.47758 0.42978 97 10 H 1S 0.00190 0.13964 -0.12853 0.02315 -0.13461 98 2S 0.10710 -0.12363 0.07475 0.78814 0.20976 99 11 O 1S -0.00547 -0.00160 -0.00215 0.01387 0.00621 100 2S -0.14178 -0.01556 0.15912 -0.54797 -0.27738 101 2PX 0.00808 0.02010 -0.02168 -0.02985 0.07303 102 2PY -0.01347 0.02409 0.02129 -0.10161 -0.02079 103 2PZ 0.01622 -0.00203 0.00590 0.03526 -0.04420 104 3S 0.54953 0.20806 -0.29400 1.59485 0.92840 105 3PX -0.09085 0.05682 0.08465 0.24729 -0.45483 106 3PY 0.14062 0.02032 -0.10922 0.42162 0.32734 107 3PZ -0.26012 0.11539 -0.09740 -0.12285 0.34222 108 4XX -0.05560 0.05360 -0.00192 -0.01096 -0.08506 109 4YY 0.09515 -0.11099 -0.06805 0.21663 0.24172 110 4ZZ -0.07202 0.06013 0.04167 -0.04988 -0.04113 111 4XY -0.23061 0.20402 -0.07362 0.17321 -0.12931 112 4XZ -0.03689 0.00358 0.01716 0.04219 0.04257 113 4YZ -0.37305 0.14854 -0.08048 0.02763 0.13726 114 12 O 1S 0.00559 0.00088 0.00150 -0.01388 -0.00668 115 2S 0.14482 0.02554 -0.17900 0.55743 0.28363 116 2PX -0.00804 -0.01841 0.02225 0.02398 -0.07299 117 2PY -0.01711 0.02155 0.02948 -0.10752 -0.01748 118 2PZ -0.01625 0.00312 -0.00645 -0.03551 0.04497 119 3S -0.54457 -0.22018 0.33987 -1.61516 -0.94587 120 3PX 0.10336 -0.05099 -0.09065 -0.22094 0.47271 121 3PY 0.13634 0.02856 -0.12404 0.44400 0.29953 122 3PZ 0.26798 -0.12770 0.09538 0.12520 -0.34527 123 4XX 0.03311 -0.02992 -0.01256 0.03077 0.06524 124 4YY -0.07329 0.08341 0.08001 -0.23523 -0.22363 125 4ZZ 0.07608 -0.06114 -0.04827 0.05030 0.03941 126 4XY -0.25023 0.21398 -0.06424 0.15488 -0.15462 127 4XZ 0.01541 0.00358 -0.02728 -0.03845 -0.03449 128 4YZ -0.38666 0.16338 -0.07374 0.03067 0.14059 129 13 C 1S -0.00132 -0.00061 -0.00017 -0.00001 0.00092 130 2S -0.00055 -0.00730 0.00266 -0.00084 0.00139 131 2PX -0.00257 -0.01012 -0.00602 0.00252 -0.00087 132 2PY 0.01394 -0.29887 -0.15355 0.08190 -0.02886 133 2PZ 0.00239 -0.00149 -0.00037 0.00067 -0.00199 134 3S 0.04293 0.01000 -0.00968 0.00636 -0.01554 135 3PX -0.01919 -0.04698 -0.01624 0.00251 0.00617 136 3PY -0.20723 -0.92518 -0.42578 0.04680 -0.12813 137 3PZ 0.01271 -0.00613 -0.00758 0.00038 -0.00448 138 4XX 0.00760 0.04200 0.01246 0.00173 0.01221 139 4YY -0.00059 -0.03742 -0.01277 -0.00058 -0.00933 140 4ZZ -0.01031 -0.00386 -0.00200 -0.00034 -0.00083 141 4XY 0.14391 0.58881 0.23331 -0.00939 0.11167 142 4XZ -0.01001 -0.01863 -0.00383 -0.00026 0.00239 143 4YZ -0.23103 -0.47647 -0.13154 0.00377 -0.07170 144 14 H 1S -0.00084 0.00021 0.00209 -0.00130 -0.00299 145 2S -0.00046 0.00414 0.00052 0.00016 -0.00224 146 15 H 1S 0.00320 -0.00183 -0.00024 0.00061 0.00230 147 2S -0.00128 0.00090 -0.00092 -0.00256 -0.00170 148 16 C 1S -0.01815 0.06725 0.05130 -0.02796 -0.01533 149 2S -0.26468 0.10817 0.37735 -0.44130 0.01773 150 2PX -0.06875 -0.06563 0.00350 -0.01934 -0.11503 151 2PY -0.05204 -0.10853 0.01489 -0.05418 -0.02301 152 2PZ 0.15659 -0.07020 -0.03105 -0.05873 -0.02887 153 3S 1.65222 -1.89821 -1.68442 1.26870 0.32028 154 3PX -0.46279 -0.31137 0.21446 -0.39264 -0.21013 155 3PY 0.78846 -1.03767 -0.86016 0.68977 0.28481 156 3PZ 0.61654 -0.21610 -0.17403 0.16830 0.22631 157 4XX -0.05129 0.17457 0.00068 0.09578 0.03941 158 4YY -0.07456 -0.20069 -0.04939 0.03463 -0.09971 159 4ZZ 0.15764 0.08899 0.01148 -0.04145 0.01309 160 4XY -0.17757 -0.31759 -0.06412 -0.06490 -0.11280 161 4XZ -0.03462 0.28961 0.11550 0.04108 0.02421 162 4YZ 0.09346 0.07172 0.02780 -0.06578 0.03793 163 17 H 1S 0.00904 0.04642 0.01606 -0.01243 0.04880 164 2S 0.19877 -0.29645 -0.25785 0.20415 0.09074 165 18 C 1S 0.07585 -0.00209 0.00350 -0.00161 -0.00591 166 2S 0.33916 -0.34923 -0.08874 -0.07579 -0.00909 167 2PX -0.03431 0.01264 0.02536 0.00389 -0.03396 168 2PY -0.31556 -0.21872 -0.10093 -0.05030 0.00304 169 2PZ 0.02015 -0.00708 -0.04839 0.01029 0.03432 170 3S -3.97574 1.35090 0.72274 -0.55138 -0.10023 171 3PX -0.32423 0.34844 0.10891 -0.12222 0.01475 172 3PY -1.42013 0.18440 -0.11154 -0.00876 0.18767 173 3PZ 1.39018 -0.96092 -0.47790 0.28067 -0.04968 174 4XX 0.45364 0.08013 0.05226 -0.01076 -0.01706 175 4YY -0.55949 -0.41228 -0.19654 -0.06312 -0.02326 176 4ZZ 0.01782 0.35420 0.15473 0.08700 -0.01323 177 4XY 0.00812 0.03374 0.02439 -0.09913 -0.02785 178 4XZ 0.11361 -0.07833 -0.01029 -0.05651 0.06958 179 4YZ -0.01677 0.06730 0.12658 -0.04585 -0.06662 180 19 H 1S 0.07027 0.01535 0.02782 -0.04076 0.02290 181 2S -0.43134 0.20955 0.01889 -0.01590 0.08925 182 20 C 1S 0.01905 -0.06829 -0.05134 0.02818 0.01575 183 2S 0.27217 -0.11632 -0.38717 0.44915 -0.00641 184 2PX 0.06469 0.05403 0.00066 0.01042 0.10822 185 2PY -0.05488 -0.11491 0.01377 -0.05526 -0.03404 186 2PZ -0.16185 0.07383 0.03133 0.05522 0.02911 187 3S -1.71856 1.94840 1.69587 -1.27120 -0.29452 188 3PX 0.51020 0.21443 -0.27182 0.43446 0.23421 189 3PY 0.79679 -1.06454 -0.84842 0.65701 0.25398 190 3PZ -0.63133 0.23508 0.17285 -0.16547 -0.20348 191 4XX 0.02887 -0.21153 -0.00980 -0.10060 -0.06017 192 4YY 0.09721 0.23307 0.06387 -0.03577 0.11824 193 4ZZ -0.16231 -0.08041 -0.01352 0.04668 -0.00596 194 4XY -0.16630 -0.27598 -0.05210 -0.06320 -0.10915 195 4XZ 0.06625 -0.29276 -0.11087 -0.04400 -0.03778 196 4YZ 0.08860 0.08686 0.03786 -0.06259 0.03197 197 21 H 1S -0.01370 -0.05023 -0.02157 0.01800 -0.05002 198 2S -0.20854 0.30015 0.25799 -0.20357 -0.08721 199 22 C 1S -0.07690 0.00368 -0.00343 0.00154 0.00660 200 2S -0.35145 0.35531 0.09233 0.06348 0.00888 201 2PX 0.01375 -0.03100 -0.03301 -0.00816 0.03160 202 2PY -0.31030 -0.22304 -0.10001 -0.04969 -0.00058 203 2PZ -0.02707 0.01130 0.04744 -0.00754 -0.03030 204 3S 4.01978 -1.39200 -0.73129 0.56421 0.07984 205 3PX 0.22703 -0.34576 -0.11987 0.12107 -0.00717 206 3PY -1.44559 0.21105 -0.10002 -0.01967 0.18275 207 3PZ -1.42457 0.98883 0.48193 -0.29001 0.06078 208 4XX -0.45363 -0.06437 -0.04788 -0.00209 0.01850 209 4YY 0.55489 0.40542 0.19060 0.07656 0.02848 210 4ZZ -0.00819 -0.36279 -0.15380 -0.08254 0.00552 211 4XY 0.09882 0.07333 0.04551 -0.09481 -0.02828 212 4XZ -0.11699 0.09186 0.01923 0.05613 -0.06568 213 4YZ -0.01215 0.06849 0.12508 -0.04784 -0.05886 214 23 H 1S -0.06810 -0.01429 -0.02814 0.03965 -0.01980 215 2S 0.43857 -0.21901 -0.01924 0.01815 -0.09312 196 197 198 199 200 V V V V V Eigenvalues -- 2.89639 2.94671 2.97306 2.98666 3.03359 1 1 C 1S 0.01004 -0.00013 -0.00824 0.00333 -0.05273 2 2S 0.07694 -0.07123 0.15682 -0.03298 -0.32125 3 2PX -0.00087 -0.02186 0.10991 -0.04395 -0.00522 4 2PY -0.03009 0.04668 0.01407 0.00695 0.03361 5 2PZ -0.00310 0.01016 -0.08976 0.03597 -0.00573 6 3S -0.64918 0.11815 -0.07193 0.14356 3.54229 7 3PX -0.29776 0.03656 0.03183 -0.01667 1.36322 8 3PY 0.15218 -0.02683 -0.15749 -0.10617 1.15089 9 3PZ 0.26951 -0.03334 -0.02389 0.01311 -1.05289 10 4XX 0.01070 -0.01209 0.14826 -0.01670 -0.02904 11 4YY -0.04937 0.07975 -0.17877 0.01720 0.13029 12 4ZZ 0.02311 -0.00630 0.09083 -0.01213 -0.09759 13 4XY 0.00423 0.02491 -0.12541 0.03002 -0.03305 14 4XZ 0.04072 -0.00631 -0.18274 0.04221 -0.17667 15 4YZ -0.00919 0.02229 0.09252 -0.02692 0.01175 16 2 C 1S -0.00005 -0.00616 -0.01375 -0.01436 0.03418 17 2S -0.19806 -0.12968 -0.30620 -0.82188 -0.58038 18 2PX -0.00658 0.02167 0.10659 0.06545 0.07859 19 2PY 0.11077 0.01055 0.33772 0.85157 0.78826 20 2PZ 0.01989 -0.02737 -0.03807 0.05037 0.04002 21 3S -0.11206 0.46497 -0.35894 -1.36034 -4.43949 22 3PX -0.51917 0.33463 -0.07250 0.11712 -0.33194 23 3PY 0.28136 0.20235 0.37690 0.75028 -0.87225 24 3PZ 0.44381 -0.08387 0.04749 -0.03814 -0.00099 25 4XX 0.01535 0.03222 0.19257 0.21987 0.21673 26 4YY -0.01827 0.02086 -0.29882 -0.52650 -0.55250 27 4ZZ 0.04275 -0.00149 0.06078 0.28973 0.34804 28 4XY -0.03489 0.00917 0.60024 -0.33394 -0.13316 29 4XZ 0.03193 -0.02834 -0.03935 0.06223 0.21349 30 4YZ 0.01113 -0.00192 -0.50831 0.18431 -0.03454 31 3 C 1S -0.02079 0.01711 0.02094 -0.01518 -0.06309 32 2S -0.10245 0.22192 -0.17274 0.26569 -0.48034 33 2PX -0.00595 0.01187 0.11597 -0.04251 -0.05540 34 2PY 0.02133 -0.00384 -0.00581 0.00385 0.00247 35 2PZ -0.00352 0.00845 -0.09115 0.05089 -0.01868 36 3S 0.78133 -1.02795 -0.01809 -0.11501 3.64872 37 3PX -0.13639 0.02815 0.14485 -0.11703 -1.14028 38 3PY -0.05429 0.02172 0.03830 -0.11825 0.91887 39 3PZ 0.14264 -0.40718 -0.09925 -0.02230 1.30189 40 4XX 0.00859 -0.05005 -0.12039 0.03053 0.02353 41 4YY 0.07325 0.02045 0.15797 -0.14910 0.13298 42 4ZZ -0.09561 -0.01913 -0.01419 -0.01264 -0.10973 43 4XY 0.10563 -0.03961 -0.10265 0.06270 0.06155 44 4XZ -0.05459 0.00731 0.20490 -0.13593 -0.21691 45 4YZ -0.01024 0.00586 0.08978 -0.04285 -0.02974 46 4 C 1S 0.02118 -0.01641 0.02002 -0.01549 0.06385 47 2S 0.10387 -0.22016 -0.17017 0.25716 0.47389 48 2PX 0.00978 -0.01155 0.11717 -0.04181 0.05882 49 2PY 0.01964 -0.00483 -0.00280 -0.00147 -0.00126 50 2PZ 0.00094 -0.01007 -0.09310 0.05221 0.01539 51 3S -0.79731 1.01167 -0.00514 -0.09341 -3.66249 52 3PX 0.13315 -0.02728 0.12432 -0.08533 1.18141 53 3PY -0.06960 0.02656 -0.04052 0.12881 0.83621 54 3PZ -0.14792 0.40173 -0.09204 -0.02110 -1.32571 55 4XX 0.00262 0.04258 -0.10745 0.02300 -0.01527 56 4YY -0.08289 -0.01475 0.14517 -0.14076 -0.13365 57 4ZZ 0.09340 0.02039 -0.02176 -0.00936 0.10447 58 4XY 0.10148 -0.03996 0.12293 -0.07843 0.05967 59 4XZ 0.05488 -0.00576 0.19585 -0.12809 0.22040 60 4YZ -0.01291 0.00489 -0.10265 0.05140 -0.04108 61 5 C 1S 0.00009 0.00632 -0.01399 -0.01392 -0.03455 62 2S 0.18337 0.14163 -0.31424 -0.81141 0.58512 63 2PX 0.01389 -0.02076 0.08710 0.00981 -0.02486 64 2PY 0.10110 0.02472 -0.35723 -0.84039 0.79853 65 2PZ -0.02012 0.02575 -0.03931 0.05029 -0.04087 66 3S 0.11077 -0.44799 -0.40593 -1.32103 4.46605 67 3PX 0.54122 -0.31513 -0.10451 0.05864 0.26945 68 3PY 0.23350 0.23471 -0.38281 -0.75630 -0.90276 69 3PZ -0.44875 0.08275 0.05390 -0.03516 0.00533 70 4XX -0.01642 -0.03358 0.12412 0.25026 -0.23250 71 4YY 0.01874 -0.01481 -0.23413 -0.55244 0.57130 72 4ZZ -0.03751 -0.00328 0.06234 0.28562 -0.35089 73 4XY -0.03807 0.00058 -0.62785 0.27005 -0.08662 74 4XZ -0.03156 0.02662 -0.00389 0.05082 -0.21728 75 4YZ 0.01990 0.00181 0.50961 -0.18471 -0.00874 76 6 C 1S -0.01009 -0.00001 -0.00898 0.00417 0.05254 77 2S -0.07535 0.06811 0.15637 -0.02612 0.32322 78 2PX 0.00000 0.02525 0.10733 -0.04209 0.00932 79 2PY -0.03086 0.04583 -0.02587 0.00278 0.03265 80 2PZ 0.00224 -0.01149 -0.08885 0.03489 0.00469 81 3S 0.65102 -0.11272 -0.04209 0.08124 -3.54903 82 3PX 0.30617 -0.03406 0.04753 -0.02606 -1.28946 83 3PY 0.13742 -0.02451 0.13926 0.13059 1.23951 84 3PZ -0.27005 0.03044 -0.02882 0.02698 1.04876 85 4XX -0.00842 0.01646 0.15510 -0.01522 0.02653 86 4YY 0.04631 -0.08201 -0.18393 0.00887 -0.12798 87 4ZZ -0.02136 0.00694 0.08801 -0.00815 0.09879 88 4XY 0.00946 0.01924 0.10172 -0.02289 -0.04108 89 4XZ -0.04338 0.00494 -0.18815 0.04455 0.17404 90 4YZ -0.00813 0.02079 -0.08249 0.02143 0.00108 91 7 H 1S 0.01382 -0.01064 -0.01639 -0.01841 0.03234 92 2S -0.04944 0.01653 0.04490 -0.02208 0.48904 93 8 H 1S -0.01761 0.03385 -0.01531 0.00493 0.02832 94 2S 0.02767 -0.04462 -0.05505 0.04491 0.35588 95 9 H 1S 0.02020 -0.03547 -0.01290 0.00159 -0.02471 96 2S -0.02669 0.04376 -0.05382 0.04002 -0.36698 97 10 H 1S -0.01444 0.01050 -0.01466 -0.01678 -0.03255 98 2S 0.04880 -0.01459 0.04759 -0.03010 -0.48824 99 11 O 1S -0.00859 -0.00008 -0.00133 -0.00698 -0.00777 100 2S -0.11243 -0.02297 -0.21935 -0.54837 -0.53691 101 2PX -0.00127 0.01158 0.02665 0.01227 0.00525 102 2PY 0.00951 -0.00334 0.08101 0.22114 0.20481 103 2PZ 0.01538 0.00509 -0.01567 0.01592 -0.00070 104 3S 0.45495 0.06499 0.80568 2.07356 1.84583 105 3PX 0.11080 -0.07296 0.28576 0.04328 0.18992 106 3PY 0.21711 0.01976 0.45818 1.24455 1.31329 107 3PZ -0.09961 -0.00064 -0.15498 0.11112 0.06019 108 4XX -0.08985 -0.00582 -0.05363 -0.36280 -0.33656 109 4YY 0.13642 0.02050 0.34798 1.05679 1.03362 110 4ZZ -0.07156 -0.01115 -0.14678 -0.33956 -0.35306 111 4XY 0.06043 -0.02378 0.49365 0.00431 0.16588 112 4XZ -0.01490 -0.00693 -0.01162 0.01828 -0.01061 113 4YZ -0.03788 -0.00153 -0.31592 0.18934 0.06523 114 12 O 1S 0.00820 0.00060 -0.00141 -0.00719 0.00854 115 2S 0.10699 0.03069 -0.23354 -0.54007 0.53778 116 2PX 0.00244 -0.01152 0.02127 -0.00214 0.00742 117 2PY 0.00744 0.00014 -0.08296 -0.21775 0.20667 118 2PZ -0.01548 -0.00543 -0.01554 0.01548 0.00006 119 3S -0.43060 -0.09783 0.84890 2.04494 -1.85612 120 3PX -0.09544 0.07475 0.25605 -0.03213 -0.09940 121 3PY 0.21082 0.03395 -0.49932 -1.22583 1.33138 122 3PZ 0.09851 -0.00121 -0.15507 0.10736 -0.06347 123 4XX 0.09079 0.01060 -0.11235 -0.35377 0.35584 124 4YY -0.13144 -0.03246 0.41620 1.03582 -1.05427 125 4ZZ 0.06605 0.01730 -0.15174 -0.33588 0.35839 126 4XY 0.03895 -0.02963 -0.45856 0.09596 0.05617 127 4XZ 0.01238 0.00720 0.00792 0.00648 0.01455 128 4YZ -0.03517 0.00213 0.31547 -0.18510 0.07126 129 13 C 1S -0.00021 0.00036 0.00582 -0.00317 -0.00016 130 2S -0.00261 -0.00112 0.02224 -0.06338 -0.00048 131 2PX -0.00882 0.00098 -0.00785 0.01413 0.00150 132 2PY -0.25070 0.00440 0.00317 0.00087 0.02863 133 2PZ -0.00150 -0.00002 -0.00348 -0.00884 0.00046 134 3S 0.00152 -0.00136 -0.07465 0.03387 0.00262 135 3PX -0.03479 0.00659 0.08081 -0.02987 0.00191 136 3PY -0.83773 0.16907 0.00484 0.00518 0.14413 137 3PZ -0.00535 0.00236 0.01019 0.03020 0.00371 138 4XX 0.03231 0.00508 0.01098 0.02157 -0.00622 139 4YY -0.03163 -0.01142 -0.00541 0.00834 0.00545 140 4ZZ -0.00191 0.00745 0.00836 -0.01225 0.00072 141 4XY 0.48579 0.06669 -0.00606 -0.00098 -0.07466 142 4XZ -0.01126 0.00067 -0.00145 0.00382 0.00002 143 4YZ -0.31867 0.08637 0.00303 0.00122 0.03967 144 14 H 1S 0.00073 0.00089 -0.00709 -0.01458 0.00090 145 2S 0.00009 -0.00031 -0.02580 0.02535 0.00103 146 15 H 1S -0.00094 -0.00293 0.01266 0.00818 -0.00072 147 2S -0.00131 0.00201 -0.01425 0.01104 0.00253 148 16 C 1S -0.00065 -0.00992 -0.00064 -0.00430 0.00981 149 2S 0.07651 -0.39561 0.01475 -0.08507 -0.04929 150 2PX -0.11077 0.03725 0.00011 0.01019 0.06907 151 2PY 0.00073 -0.05004 0.00623 -0.02201 -0.00526 152 2PZ 0.24933 -0.09438 -0.00389 -0.00619 -0.00916 153 3S 0.20107 0.97697 0.00927 0.12581 -0.29336 154 3PX -0.56214 -0.14114 0.01815 -0.09807 0.15412 155 3PY -0.35516 0.56655 -0.00696 0.09990 -0.14511 156 3PZ 0.84820 0.00933 -0.01433 -0.02218 -0.32665 157 4XX -0.13578 0.01924 0.00947 0.04213 0.01431 158 4YY -0.17660 0.40718 -0.00202 -0.01647 0.04669 159 4ZZ 0.33978 -0.32503 -0.01764 -0.01548 -0.02117 160 4XY -0.34323 -0.09146 0.02808 -0.00023 0.09741 161 4XZ -0.04652 0.14040 -0.01742 0.02928 0.01886 162 4YZ 0.44977 0.23108 -0.00010 -0.00597 -0.05808 163 17 H 1S -0.07766 -0.23061 0.00786 0.00402 -0.01215 164 2S -0.00024 0.23954 -0.01645 0.04977 -0.05498 165 18 C 1S 0.00362 0.00939 -0.00226 0.00115 0.00289 166 2S 0.10244 0.19050 -0.00759 -0.01302 -0.07586 167 2PX -0.03639 -0.01535 0.00380 0.01072 0.03085 168 2PY 0.44031 -0.00036 0.00558 0.01489 -0.05512 169 2PZ 0.18212 0.00423 -0.00254 0.00225 -0.02062 170 3S 0.21128 -1.11424 0.04214 -0.02210 0.10000 171 3PX -0.12393 -0.04348 -0.01054 -0.02598 0.01321 172 3PY 1.05774 -0.44395 -0.03879 -0.09431 -0.33551 173 3PZ 0.74255 0.35257 -0.01248 0.03860 -0.22734 174 4XX -0.06625 0.02105 -0.00264 0.01445 0.02787 175 4YY 0.77136 0.07185 -0.01472 -0.01081 -0.10018 176 4ZZ -0.61857 -0.11658 0.01138 0.01824 0.11801 177 4XY 0.12522 -0.30345 0.00651 0.00461 0.03630 178 4XZ 0.19480 0.10769 -0.00340 -0.00726 -0.05346 179 4YZ -0.14858 0.82285 -0.00302 0.01913 0.02809 180 19 H 1S 0.01054 0.41951 -0.01314 -0.02107 -0.04322 181 2S -0.00008 -0.28302 -0.00686 -0.01913 -0.00201 182 20 C 1S 0.00037 0.01014 -0.00029 -0.00330 -0.01054 183 2S -0.07986 0.39652 0.01422 -0.07345 0.04270 184 2PX 0.11360 -0.04242 -0.00092 0.01119 -0.06733 185 2PY -0.00658 -0.04759 -0.00516 0.01966 -0.00009 186 2PZ -0.25391 0.09354 -0.00402 -0.00324 0.01058 187 3S -0.20294 -0.97763 -0.00775 0.08594 0.29869 188 3PX 0.53529 0.18156 0.00936 -0.09474 -0.16917 189 3PY -0.39484 0.55857 0.02120 -0.07109 -0.12473 190 3PZ -0.84895 -0.01783 -0.01551 -0.01141 0.31359 191 4XX 0.09216 -0.02399 0.00736 0.03942 -0.00088 192 4YY 0.21507 -0.40600 -0.00126 -0.02163 -0.05872 193 4ZZ -0.33694 0.32990 -0.01614 -0.00655 0.01696 194 4XY -0.33660 -0.12683 -0.02169 -0.00453 0.09641 195 4XZ 0.08331 -0.12626 -0.01254 0.02323 -0.01913 196 4YZ 0.45354 0.24978 -0.00427 0.00416 -0.05543 197 21 H 1S 0.08098 0.23983 0.00519 0.00676 0.01028 198 2S 0.00041 -0.24499 -0.01861 0.04367 0.05162 199 22 C 1S -0.00354 -0.00981 -0.00258 0.00087 -0.00318 200 2S -0.09989 -0.19417 -0.01318 -0.02088 0.08064 201 2PX 0.07177 0.01472 0.00307 0.00922 -0.03480 202 2PY 0.43699 -0.00218 -0.01018 -0.02029 -0.05268 203 2PZ -0.18310 -0.00355 -0.00054 0.00378 0.01940 204 3S -0.20949 1.12623 0.08025 0.03189 -0.09926 205 3PX 0.20616 0.01401 -0.00310 -0.02275 -0.03443 206 3PY 1.04952 -0.44816 0.01687 0.06324 -0.33321 207 3PZ -0.73974 -0.36263 -0.02416 0.02983 0.22478 208 4XX 0.07909 -0.06142 -0.00533 0.01250 -0.02498 209 4YY -0.78414 -0.04033 -0.00507 -0.00148 0.09416 210 4ZZ 0.62117 0.12592 0.00839 0.01500 -0.11838 211 4XY 0.05296 -0.30676 -0.00631 -0.00964 0.04771 212 4XZ -0.21069 -0.05056 -0.00309 -0.00718 0.05241 213 4YZ -0.13869 0.83216 0.00042 -0.00378 0.02418 214 23 H 1S -0.01202 -0.42144 -0.01133 -0.02712 0.04286 215 2S 0.00179 0.28611 -0.00122 -0.01238 0.00466 201 202 203 204 205 V V V V V Eigenvalues -- 3.18728 3.24015 4.01326 4.05388 4.08889 1 1 C 1S -0.00167 0.06782 0.15192 0.14601 -0.16852 2 2S -0.00714 -0.06586 -0.92088 -0.64319 1.30377 3 2PX 0.07902 -0.01789 -0.00520 -0.00367 0.01867 4 2PY -0.37200 -0.16930 -0.01098 0.12251 0.10247 5 2PZ -0.07723 0.02084 0.00413 0.01165 -0.01821 6 3S -0.95165 -2.86447 -0.25465 -2.10590 0.40712 7 3PX 0.17480 -0.92961 -0.17768 -0.63669 -0.30953 8 3PY -0.88426 -0.80531 -0.26115 -0.85560 -0.42741 9 3PZ -0.16581 0.71184 0.15025 0.48339 0.24684 10 4XX 0.26156 0.30807 0.54661 0.45721 -0.69461 11 4YY -0.57930 -0.42026 0.53553 0.58936 -0.68986 12 4ZZ 0.20117 0.28026 0.55795 0.48181 -0.67412 13 4XY -0.18830 0.44180 0.01181 0.03470 -0.01996 14 4XZ -0.22755 0.02076 0.06637 0.09911 0.05855 15 4YZ 0.12708 -0.40629 -0.01683 -0.04422 0.01570 16 2 C 1S -0.00154 -0.05528 0.14355 0.16463 -0.08694 17 2S 0.02456 -0.20707 -1.14443 -1.39085 0.21806 18 2PX 0.08564 -0.00451 0.03745 0.04571 0.00959 19 2PY 0.03114 0.24144 -0.06275 -0.05584 0.09941 20 2PZ -0.06057 0.02723 -0.00777 -0.00524 0.01155 21 3S -0.27331 2.19198 -1.28148 -0.53488 -1.09225 22 3PX 0.02833 0.06904 0.15981 0.18148 0.25618 23 3PY -0.11292 1.20673 1.30637 1.89053 1.74529 24 3PZ -0.07402 0.18814 -0.07573 0.01488 -0.04414 25 4XX 0.09790 0.30418 0.61514 0.77225 -0.14160 26 4YY -0.12272 -0.51031 0.72230 0.86768 -0.27263 27 4ZZ -0.01472 0.11171 0.60963 0.72077 -0.17138 28 4XY 0.58276 -0.09468 0.05782 0.06868 -0.00134 29 4XZ -0.03905 -0.44533 0.03582 -0.00057 -0.05586 30 4YZ -0.48226 0.05028 -0.02023 -0.01284 0.00451 31 3 C 1S -0.01465 0.06558 0.02506 0.03267 -0.13695 32 2S -0.22263 0.18762 -0.03173 0.18609 1.02542 33 2PX 0.10837 0.06546 0.04642 0.07829 -0.02023 34 2PY 0.23875 -0.08980 0.01521 0.00253 0.06329 35 2PZ -0.09491 -0.00438 -0.01318 0.01653 0.01807 36 3S 1.43508 -2.79885 -0.22592 -1.53943 0.08403 37 3PX 0.12800 0.46613 0.14616 0.39052 0.32136 38 3PY 0.99660 -0.92679 -0.10992 -0.64724 -0.26807 39 3PZ 0.04969 -0.74937 -0.16535 -0.67344 -0.33704 40 4XX -0.27983 0.14713 -0.00206 -0.04730 -0.57818 41 4YY 0.52228 -0.37885 0.06786 0.01499 -0.51599 42 4ZZ -0.16238 0.28412 0.06692 0.04476 -0.55689 43 4XY -0.11783 -0.34598 -0.00955 -0.05669 0.02631 44 4XZ 0.20693 0.03708 0.08565 0.12037 0.06218 45 4YZ 0.12616 0.25421 0.03017 0.02532 -0.00309 46 4 C 1S 0.01468 -0.06543 0.02558 -0.03526 -0.13614 47 2S 0.22661 -0.18960 -0.02805 -0.15080 1.03134 48 2PX -0.09781 -0.07067 0.04897 -0.07828 -0.02062 49 2PY 0.24724 -0.08199 -0.01859 0.00699 -0.06155 50 2PZ 0.09576 0.00790 -0.01338 -0.01354 0.02044 51 3S -1.43495 2.80478 -0.26996 1.52563 0.02274 52 3PX -0.07822 -0.51283 0.16949 -0.41421 0.38133 53 3PY 1.00197 -0.89401 0.12737 -0.61319 0.27478 54 3PZ -0.06037 0.76971 -0.18495 0.66590 -0.36838 55 4XX 0.26632 -0.18142 -0.00004 0.02287 -0.58092 56 4YY -0.50790 0.41779 0.06198 -0.02044 -0.51944 57 4ZZ 0.16370 -0.28597 0.06700 -0.05626 -0.55316 58 4XY -0.16897 -0.31454 0.01637 -0.06481 -0.02062 59 4XZ -0.20076 -0.01934 0.08841 -0.11758 0.07011 60 4YZ 0.14838 0.25166 -0.03626 0.02996 -0.00362 61 5 C 1S 0.00180 0.05575 0.14661 -0.16373 -0.08280 62 2S -0.03281 0.20810 -1.17351 1.37192 0.17930 63 2PX -0.08377 0.01640 0.04221 -0.04831 0.00513 64 2PY 0.03189 0.24483 0.06233 -0.05509 -0.09795 65 2PZ 0.06209 -0.02478 -0.00904 0.00655 0.01081 66 3S 0.25992 -2.19973 -1.25986 0.46136 -1.06104 67 3PX -0.03534 0.01118 0.07316 -0.05322 0.14646 68 3PY -0.11449 1.22193 -1.35476 1.81817 -1.82277 69 3PZ 0.07658 -0.19385 -0.06826 -0.02139 -0.04684 70 4XX -0.02706 -0.31021 0.62443 -0.75439 -0.12180 71 4YY 0.04832 0.52346 0.74692 -0.86741 -0.24632 72 4ZZ 0.01967 -0.11689 0.62315 -0.71161 -0.15184 73 4XY 0.59872 -0.03203 -0.05141 0.06069 -0.00999 74 4XZ 0.00747 0.45255 0.03531 0.00015 -0.05789 75 4YZ -0.49140 0.01641 0.01924 -0.01548 -0.00035 76 6 C 1S 0.00195 -0.06798 0.15536 -0.14752 -0.16465 77 2S 0.00448 0.06612 -0.93380 0.66153 1.29309 78 2PX -0.10284 0.00767 -0.00452 0.01165 0.01228 79 2PY -0.36590 -0.16925 0.00891 0.11895 -0.10610 80 2PZ 0.07990 -0.02057 0.00442 -0.01261 -0.01716 81 3S 0.95194 2.87003 -0.31359 2.11323 0.32307 82 3PX -0.22936 0.87847 -0.18141 0.56882 -0.30977 83 3PY -0.87190 -0.86506 0.28723 -0.87349 0.47902 84 3PZ 0.16842 -0.70924 0.16667 -0.46927 0.27017 85 4XX -0.27807 -0.25789 0.55577 -0.46242 -0.68180 86 4YY 0.59821 0.36734 0.54924 -0.60107 -0.67942 87 4ZZ -0.20134 -0.27900 0.56873 -0.48873 -0.66307 88 4XY -0.12604 0.49115 -0.01389 0.02466 0.01903 89 4XZ 0.23607 -0.04725 0.06997 -0.09841 0.06148 90 4YZ 0.10983 -0.40793 0.01373 -0.03768 -0.01801 91 7 H 1S 0.00262 -0.25449 -0.08463 -0.08259 0.04691 92 2S -0.01555 -0.14252 -0.03927 -0.16447 -0.39125 93 8 H 1S -0.01905 -0.14342 -0.02078 -0.04066 0.02162 94 2S 0.05549 -0.07776 -0.04209 -0.19203 -0.28511 95 9 H 1S 0.01927 0.14639 -0.02168 0.04041 0.01798 96 2S -0.05556 0.08328 -0.05249 0.18837 -0.30102 97 10 H 1S -0.00296 0.25521 -0.08663 0.08170 0.04441 98 2S 0.01645 0.14153 -0.04405 0.15125 -0.40074 99 11 O 1S 0.00193 0.01579 -0.24001 -0.25035 -0.27548 100 2S -0.00860 0.14064 -0.32617 -0.35292 -0.31066 101 2PX 0.00525 0.02470 -0.01879 -0.02136 -0.00472 102 2PY 0.01273 0.22266 -0.19791 -0.21496 -0.07293 103 2PZ -0.00488 0.01581 -0.00853 -0.00692 -0.00238 104 3S 0.01961 0.04002 3.32818 3.57372 3.96958 105 3PX 0.26802 -0.00203 0.07521 0.08679 0.08936 106 3PY 0.02419 -0.01257 0.70413 0.69970 0.96146 107 3PZ -0.20041 -0.04237 0.04459 0.02761 0.03875 108 4XX 0.06316 0.01687 -0.81686 -0.84209 -0.95468 109 4YY -0.00410 0.25067 -0.74571 -0.80716 -0.70030 110 4ZZ -0.02285 0.03842 -0.81351 -0.84200 -0.94241 111 4XY 0.39337 0.02447 0.01922 0.02207 0.03641 112 4XZ -0.01466 0.07954 0.00693 0.01506 0.03402 113 4YZ -0.31185 -0.01137 0.00872 0.00315 0.00591 114 12 O 1S -0.00156 -0.01646 -0.24366 0.23605 -0.28122 115 2S 0.00638 -0.13800 -0.32981 0.33456 -0.31788 116 2PX -0.00456 -0.01024 -0.00594 0.00743 -0.00004 117 2PY 0.00903 0.22613 0.20247 -0.20892 0.07887 118 2PZ 0.00531 -0.01536 -0.00836 0.00679 -0.00276 119 3S -0.00895 -0.04660 3.37684 -3.36973 4.04965 120 3PX -0.26603 -0.00097 0.03028 -0.04047 0.02773 121 3PY 0.03320 -0.00841 -0.71378 0.65535 -0.97728 122 3PZ 0.20266 0.04428 0.04263 -0.02391 0.03948 123 4XX -0.01968 -0.01765 -0.83058 0.79455 -0.97650 124 4YY -0.03004 -0.25872 -0.75802 0.76666 -0.71820 125 4ZZ 0.02159 -0.03896 -0.82528 0.79319 -0.96112 126 4XY 0.39663 0.00862 -0.01403 0.01858 -0.01716 127 4XZ -0.00474 -0.08070 0.00693 -0.01397 0.03425 128 4YZ -0.31724 -0.00901 -0.00821 0.00235 -0.00811 129 13 C 1S 0.00015 0.00019 -0.00574 0.00306 0.06237 130 2S -0.00332 -0.00264 -0.03545 -0.01878 -0.18907 131 2PX 0.00094 0.00000 -0.00928 0.00065 -0.01242 132 2PY 0.00262 -0.00287 0.00136 0.02295 0.00161 133 2PZ 0.00001 -0.00022 -0.02390 -0.00001 -0.02509 134 3S 0.00266 0.00556 0.25468 -0.01289 -0.63888 135 3PX -0.00043 -0.00540 0.02693 -0.00131 0.32153 136 3PY 0.06469 -0.09226 0.00059 -0.08756 -0.00818 137 3PZ 0.00142 -0.00109 0.19837 -0.00153 -0.02524 138 4XX -0.00212 0.00454 0.00900 0.01014 0.16702 139 4YY 0.00366 -0.00290 -0.03512 0.01346 0.18876 140 4ZZ 0.00132 0.00071 -0.00508 0.01162 0.18782 141 4XY -0.04397 0.04596 -0.00290 -0.02947 0.00049 142 4XZ 0.00014 0.00042 0.00357 0.00179 0.03368 143 4YZ 0.01564 -0.00813 0.00011 0.03480 -0.00231 144 14 H 1S -0.00011 -0.00054 -0.05455 -0.00152 -0.02422 145 2S 0.00132 0.00012 -0.03120 0.00272 -0.03948 146 15 H 1S -0.00047 -0.00052 0.01826 -0.00041 0.02742 147 2S 0.00079 -0.00092 0.03444 0.00083 0.04604 148 16 C 1S 0.00279 -0.01332 0.03116 0.07406 0.03968 149 2S -0.00907 0.01857 -0.20108 -0.48253 -0.36559 150 2PX 0.02112 -0.04353 0.01962 0.00298 0.01178 151 2PY 0.00464 0.00159 -0.00608 0.00584 -0.00168 152 2PZ 0.00367 -0.01187 -0.05131 -0.06624 0.02181 153 3S -0.05453 0.34956 -0.11144 -0.21330 0.17358 154 3PX 0.03321 -0.14895 -0.07983 -0.07078 -0.01857 155 3PY -0.10469 0.16371 -0.06388 -0.10835 0.27610 156 3PZ -0.03660 0.21549 -0.02991 0.05821 0.03639 157 4XX 0.01224 -0.00906 0.13775 0.34408 0.17830 158 4YY 0.02145 -0.03902 0.13020 0.26478 0.18352 159 4ZZ -0.01453 -0.01537 0.03291 0.23128 0.19541 160 4XY 0.04215 -0.04730 0.00852 0.01957 -0.00853 161 4XZ -0.01449 -0.00158 0.03369 0.03572 -0.02664 162 4YZ 0.00717 0.01939 -0.03281 -0.02688 0.01887 163 17 H 1S -0.01241 0.00485 -0.01699 -0.02604 0.00172 164 2S -0.02699 0.05799 0.00067 0.01266 0.11841 165 18 C 1S 0.00068 -0.00167 0.14492 0.10530 -0.03629 166 2S -0.00760 0.05706 -1.05262 -0.85157 0.28392 167 2PX 0.00429 -0.01115 0.04017 0.03806 -0.00991 168 2PY 0.00112 0.00491 -0.03106 0.11247 0.04902 169 2PZ -0.00435 0.00528 -0.01551 0.01263 0.03427 170 3S 0.09710 -0.26515 -0.20017 -0.07398 0.00949 171 3PX 0.01222 -0.04294 -0.06419 -0.12916 -0.02044 172 3PY 0.02942 0.10033 -0.06940 0.05987 -0.13405 173 3PZ -0.02334 0.20144 -0.02345 -0.14098 0.09802 174 4XX 0.00372 -0.01062 0.57621 0.41789 -0.14108 175 4YY 0.01164 0.00400 0.53505 0.56118 -0.15509 176 4ZZ 0.00043 -0.04383 0.62393 0.46557 -0.18719 177 4XY -0.00118 -0.01821 0.01120 0.00088 0.01417 178 4XZ -0.00858 0.02132 -0.01241 -0.00051 -0.00140 179 4YZ 0.01531 -0.01635 -0.00207 -0.04052 -0.01088 180 19 H 1S 0.00574 0.01210 -0.11645 -0.10217 -0.00795 181 2S -0.00079 -0.01706 0.10908 0.14667 -0.07079 182 20 C 1S -0.00289 0.01403 0.03210 -0.07297 0.04500 183 2S 0.00460 -0.01070 -0.20285 0.47589 -0.37132 184 2PX -0.01982 0.04139 0.02053 -0.00453 0.01092 185 2PY 0.00728 -0.00207 0.00478 0.00696 -0.00111 186 2PZ -0.00265 0.01094 -0.05424 0.06580 0.01666 187 3S 0.05564 -0.36159 -0.13260 0.21936 0.10282 188 3PX -0.04401 0.16399 -0.07239 0.05813 -0.02257 189 3PY -0.09978 0.15476 0.08435 -0.11951 -0.23553 190 3PZ 0.03590 -0.20819 -0.03154 -0.05447 0.02931 191 4XX -0.00564 0.00182 0.13982 -0.33488 0.19341 192 4YY -0.02638 0.04647 0.13155 -0.26428 0.19612 193 4ZZ 0.01401 0.01644 0.03502 -0.22923 0.20658 194 4XY 0.04091 -0.04641 -0.00799 0.02648 0.00729 195 4XZ 0.01572 -0.00067 0.03815 -0.03849 -0.02823 196 4YZ 0.00666 0.01819 0.03082 -0.02517 -0.01563 197 21 H 1S 0.01266 -0.00467 -0.01746 0.02639 -0.00085 198 2S 0.02760 -0.05779 -0.00452 -0.00943 0.11041 199 22 C 1S -0.00070 0.00157 0.14682 -0.10594 -0.02974 200 2S 0.00883 -0.05676 -1.07547 0.85267 0.22331 201 2PX -0.00384 0.01125 0.04257 -0.02948 -0.01294 202 2PY 0.00102 0.00418 0.02509 0.11249 -0.05611 203 2PZ 0.00396 -0.00534 -0.01527 -0.01091 0.03418 204 3S -0.09817 0.26679 -0.15968 0.07722 0.06782 205 3PX -0.01024 0.04962 -0.05538 0.13114 -0.01037 206 3PY 0.03142 0.09548 0.04788 0.05627 0.10603 207 3PZ 0.02515 -0.20208 -0.04120 0.14091 0.06125 208 4XX -0.00380 0.00861 0.58282 -0.42024 -0.11620 209 4YY -0.01205 -0.00225 0.55178 -0.56267 -0.11363 210 4ZZ -0.00037 0.04294 0.63435 -0.46704 -0.15579 211 4XY -0.00187 -0.01941 -0.01338 -0.01284 -0.01455 212 4XZ 0.00913 -0.02098 -0.01313 -0.00220 0.00024 213 4YZ 0.01435 -0.01433 0.00331 -0.04074 0.01319 214 23 H 1S -0.00582 -0.01150 -0.11665 0.09969 -0.01230 215 2S -0.00023 0.01660 0.11809 -0.14595 -0.05314 206 207 208 209 210 V V V V V Eigenvalues -- 4.19280 4.26744 4.31799 4.35655 4.39453 1 1 C 1S -0.20070 -0.08202 0.08835 0.27806 0.08170 2 2S 1.21535 0.50702 -0.54038 -1.53744 -0.50181 3 2PX -0.06069 -0.02541 0.05452 0.06730 0.01609 4 2PY 0.05596 0.01832 -0.05751 0.25177 0.12894 5 2PZ 0.04113 -0.00717 -0.06376 -0.04657 -0.00855 6 3S 0.68622 0.14063 -0.49248 -1.60641 0.75771 7 3PX 0.14890 0.01121 -0.10521 -0.10790 0.41532 8 3PY 0.02323 0.02968 0.05161 0.05357 0.57255 9 3PZ -0.11810 0.01211 0.08887 0.15404 -0.33968 10 4XX -0.79234 -0.31911 0.37550 1.05647 0.31208 11 4YY -0.72722 -0.29811 0.34331 1.36246 0.43136 12 4ZZ -0.79422 -0.31644 0.38275 1.03299 0.30692 13 4XY 0.02842 -0.00834 -0.06021 -0.03643 0.03065 14 4XZ 0.00575 0.00068 -0.04259 -0.02957 -0.02311 15 4YZ -0.01947 0.01757 0.05738 0.02954 -0.00426 16 2 C 1S 0.04722 -0.05409 -0.22405 0.03201 0.08394 17 2S -0.28739 0.30054 1.26458 0.15401 -0.07914 18 2PX -0.08224 -0.01911 0.00384 0.07715 -0.05376 19 2PY -0.01690 0.02349 0.07084 -0.01664 -0.09453 20 2PZ 0.05378 -0.01676 -0.03343 -0.03712 -0.01292 21 3S 0.15901 0.05879 1.06156 -0.00200 1.90760 22 3PX 0.15345 -0.01754 0.05651 -0.63258 0.11018 23 3PY -0.40808 0.03621 0.01931 -0.64156 -2.56962 24 3PZ -0.09192 0.13679 0.04784 0.26750 -0.21757 25 4XX 0.17959 -0.18852 -0.85379 -0.03354 0.11165 26 4YY 0.19822 -0.25317 -1.01862 0.04274 0.30558 27 4ZZ 0.17284 -0.16926 -0.83982 0.00716 0.13658 28 4XY -0.10978 -0.02868 0.01393 0.09834 0.00519 29 4XZ -0.01476 -0.02577 0.04096 0.09961 0.05770 30 4YZ 0.08900 0.00215 -0.05556 -0.07582 0.00504 31 3 C 1S 0.20148 -0.02251 -0.09653 -0.08122 0.15596 32 2S -1.17861 0.22621 0.29976 0.36831 -0.98230 33 2PX 0.01002 -0.01907 -0.04639 -0.03216 -0.01978 34 2PY -0.04945 0.01536 -0.03250 -0.01233 0.12893 35 2PZ 0.02674 -0.02795 -0.01727 -0.03104 0.01581 36 3S -0.70975 -0.05095 0.27536 1.10641 0.06795 37 3PX -0.02486 -0.14160 0.16805 -0.41156 0.09537 38 3PY 0.18154 -0.05768 0.08510 0.01762 0.73881 39 3PZ 0.03262 0.04115 0.12524 0.31990 0.27609 40 4XX 0.79491 -0.14729 -0.24426 -0.30319 0.62316 41 4YY 0.68617 -0.10165 -0.27551 -0.29426 0.73624 42 4ZZ 0.79170 -0.07356 -0.30548 -0.31918 0.62515 43 4XY 0.01437 0.00493 0.05835 0.00734 -0.01747 44 4XZ 0.00244 -0.02570 -0.01471 -0.03575 0.00869 45 4YZ 0.01502 -0.02792 -0.04474 -0.00409 0.03146 46 4 C 1S 0.19964 -0.01900 -0.09538 0.08101 -0.15876 47 2S -1.17976 0.23130 0.28898 -0.37582 0.99128 48 2PX 0.01205 -0.01865 -0.04661 0.03133 0.02572 49 2PY 0.05014 -0.01615 0.03336 -0.01541 0.12785 50 2PZ 0.02484 -0.02656 -0.01640 0.02928 -0.01655 51 3S -0.67150 -0.11767 0.29327 -1.10049 -0.05917 52 3PX -0.05936 -0.13269 0.16235 0.40145 -0.03432 53 3PY -0.17111 0.05911 -0.11013 -0.00957 0.74662 54 3PZ 0.05026 0.02297 0.12418 -0.31913 -0.28139 55 4XX 0.79081 -0.14262 -0.24546 0.30735 -0.63356 56 4YY 0.68242 -0.09093 -0.26133 0.29228 -0.74040 57 4ZZ 0.78571 -0.06654 -0.29949 0.31831 -0.63196 58 4XY -0.02178 -0.00260 -0.05970 0.01049 -0.02507 59 4XZ 0.00238 -0.02674 -0.01125 0.03765 -0.00629 60 4YZ -0.01189 0.02945 0.04518 -0.00576 0.03646 61 5 C 1S 0.04707 -0.05194 -0.22252 -0.02804 -0.09339 62 2S -0.28348 0.28948 1.26603 -0.17250 0.12486 63 2PX -0.08059 -0.02259 -0.00164 -0.07862 0.04803 64 2PY 0.02183 -0.01890 -0.06888 -0.00814 -0.10259 65 2PZ 0.05414 -0.01634 -0.03458 0.03652 0.01150 66 3S 0.11068 0.12707 1.10522 0.02588 -1.89666 67 3PX 0.15848 0.00547 0.05474 0.58544 -0.26528 68 3PY 0.39363 -0.00107 0.03573 -0.63841 -2.60971 69 3PZ -0.07945 0.12431 0.04889 -0.26625 0.21910 70 4XX 0.19012 -0.17889 -0.85507 0.05667 -0.14499 71 4YY 0.18187 -0.24427 -1.00952 -0.03520 -0.34717 72 4ZZ 0.17231 -0.16396 -0.83861 0.00605 -0.16872 73 4XY 0.10931 0.02510 -0.02505 0.09132 -0.01021 74 4XZ -0.02008 -0.02655 0.04483 -0.10712 -0.05438 75 4YZ -0.08772 -0.00184 0.05302 -0.06863 0.01030 76 6 C 1S -0.19980 -0.08268 0.08972 -0.27978 -0.07770 77 2S 1.20821 0.51409 -0.54891 1.54604 0.48188 78 2PX -0.06365 -0.02711 0.05749 -0.05241 -0.00502 79 2PY -0.05196 -0.01753 0.05090 0.25565 0.13075 80 2PZ 0.04079 -0.00640 -0.06394 0.04694 0.00512 81 3S 0.68905 0.14306 -0.47431 1.61085 -0.77618 82 3PX 0.14852 0.00980 -0.10108 0.11795 -0.38964 83 3PY -0.04398 -0.02175 -0.06301 0.03479 0.60921 84 3PZ -0.11846 0.00892 0.08348 -0.16066 0.34801 85 4XX -0.79076 -0.32261 0.38651 -1.06858 -0.29270 86 4YY -0.71961 -0.30345 0.34408 -1.36332 -0.42007 87 4ZZ -0.79007 -0.31987 0.38813 -1.03993 -0.29105 88 4XY -0.02285 0.00860 0.05655 -0.05941 0.02439 89 4XZ 0.00639 0.00033 -0.04653 0.03118 0.02253 90 4YZ 0.01880 -0.01723 -0.05432 0.03064 -0.00775 91 7 H 1S 0.08191 0.04704 -0.01280 -0.07478 -0.00595 92 2S -0.08579 -0.06314 0.02934 0.23712 0.26584 93 8 H 1S -0.05416 0.01774 0.05296 0.03481 -0.03067 94 2S 0.23224 0.06209 -0.06360 -0.01830 0.27549 95 9 H 1S -0.05180 0.01967 0.05129 -0.03448 0.03101 96 2S 0.23387 0.06400 -0.06389 0.01691 -0.28177 97 10 H 1S 0.08212 0.04670 -0.01260 0.07623 0.00437 98 2S -0.08296 -0.06457 0.03528 -0.23225 -0.27113 99 11 O 1S 0.04587 0.00502 0.03673 0.07307 0.31674 100 2S 0.07392 0.02660 0.09581 0.08561 0.56557 101 2PX -0.00473 0.01045 0.02293 -0.00828 0.01634 102 2PY 0.00047 0.04255 0.14321 0.01225 0.08544 103 2PZ 0.00881 0.01111 0.00322 -0.00184 0.00255 104 3S -0.75923 -0.03074 -0.48656 -1.11788 -5.31479 105 3PX -0.05202 -0.01495 -0.03533 0.09853 -0.22027 106 3PY -0.19855 0.02006 0.00848 -0.26196 -1.37382 107 3PZ -0.00873 -0.04742 -0.01369 -0.04473 -0.02255 108 4XX 0.15148 0.01498 0.10698 0.26475 1.09518 109 4YY 0.10568 0.05558 0.26430 0.17598 0.74422 110 4ZZ 0.15547 0.01246 0.10377 0.24690 1.08502 111 4XY -0.02711 -0.00445 0.00538 0.03446 -0.06812 112 4XZ -0.00372 0.00367 -0.01619 -0.02191 -0.04530 113 4YZ 0.00519 -0.01562 -0.00412 -0.01152 -0.00439 114 12 O 1S 0.04306 0.01206 0.04424 -0.06773 -0.32161 115 2S 0.06954 0.03768 0.10824 -0.07561 -0.57317 116 2PX -0.00505 0.00839 0.01378 0.00918 -0.01025 117 2PY 0.00038 -0.04444 -0.14612 0.01169 0.08318 118 2PZ 0.00903 0.01119 0.00320 0.00159 -0.00221 119 3S -0.71590 -0.14158 -0.61021 1.02663 5.39865 120 3PX -0.03443 -0.02323 -0.03774 -0.11574 0.13052 121 3PY 0.18849 0.01239 0.02611 -0.22867 -1.41237 122 3PZ -0.01051 -0.04677 -0.01527 0.04343 0.02169 123 4XX 0.14427 0.04066 0.13320 -0.24156 -1.11858 124 4YY 0.09704 0.06989 0.28164 -0.17042 -0.74266 125 4ZZ 0.14557 0.03708 0.12973 -0.22823 -1.10322 126 4XY 0.02176 0.00980 0.00726 0.04100 -0.04156 127 4XZ -0.00358 0.00395 -0.01669 0.02157 0.04463 128 4YZ -0.00442 0.01517 0.00587 -0.01198 -0.00735 129 13 C 1S 0.09519 -0.36706 0.19284 -0.00094 -0.00309 130 2S -0.64899 1.88664 -1.05796 0.00380 0.01993 131 2PX 0.00568 0.07772 -0.04526 -0.00031 -0.00037 132 2PY -0.00007 -0.00281 0.00078 -0.02076 -0.01669 133 2PZ 0.00277 -0.04424 0.00371 -0.00096 -0.00121 134 3S 0.05162 1.52113 -0.88759 0.01103 0.01698 135 3PX -0.17525 -0.03690 0.06115 0.00688 0.00092 136 3PY 0.00420 -0.00063 0.00064 0.17856 -0.00637 137 3PZ 0.06500 0.03359 0.14248 0.00828 0.00118 138 4XX 0.41031 -1.38361 0.71601 0.00079 -0.01377 139 4YY 0.31782 -1.32218 0.70325 -0.00827 -0.01365 140 4ZZ 0.39396 -1.33963 0.77025 -0.00339 -0.01204 141 4XY -0.00591 0.00298 0.00018 0.06503 -0.01627 142 4XZ 0.04208 -0.06031 -0.02106 -0.00191 0.00167 143 4YZ -0.00013 0.00220 -0.00056 -0.05800 0.02267 144 14 H 1S -0.07369 0.10500 -0.06008 -0.00095 0.00017 145 2S 0.16324 -0.35650 0.12903 -0.00136 -0.00516 146 15 H 1S -0.05582 0.08056 -0.04239 0.00034 0.00061 147 2S 0.07639 -0.30830 0.26716 0.00252 -0.00266 148 16 C 1S 0.11710 -0.15157 0.06991 -0.17496 0.08491 149 2S -0.64682 0.69994 -0.18157 0.76636 -0.14872 150 2PX -0.02135 0.05822 -0.03707 0.03401 -0.03427 151 2PY 0.01508 -0.04023 -0.00314 -0.06165 0.02666 152 2PZ -0.03299 -0.07948 -0.02062 0.02570 -0.04542 153 3S -0.46061 0.88270 -0.15673 1.00224 -0.71733 154 3PX -0.05228 -0.18820 0.19034 -0.03809 0.20255 155 3PY -0.21208 0.29396 -0.05757 0.39010 -0.40034 156 3PZ -0.05121 0.27524 0.00067 0.01719 -0.14619 157 4XX 0.43418 -0.49629 0.15441 -0.66066 0.25768 158 4YY 0.46240 -0.50111 0.22680 -0.59452 0.23355 159 4ZZ 0.37952 -0.62281 0.13883 -0.59564 0.19731 160 4XY -0.04259 0.11186 -0.05172 -0.01787 0.01938 161 4XZ 0.02887 -0.00861 0.03888 -0.01008 0.03374 162 4YZ 0.00273 -0.10679 0.00132 0.01327 -0.04334 163 17 H 1S -0.09119 0.09337 -0.05293 0.06148 -0.03999 164 2S 0.03938 -0.01710 0.02565 -0.00762 -0.08549 165 18 C 1S 0.13413 0.19176 0.19512 -0.11190 0.15455 166 2S -0.89966 -0.93397 -1.10520 0.51473 -0.94216 167 2PX -0.03271 0.00041 -0.01915 0.03668 -0.02573 168 2PY -0.04109 -0.02626 -0.04414 -0.08712 0.12705 169 2PZ 0.00147 -0.09571 -0.06440 -0.00098 -0.05433 170 3S -0.21303 -1.10676 -0.55512 0.50323 -0.13607 171 3PX 0.09527 -0.07547 0.04527 -0.16409 0.15312 172 3PY 0.09806 -0.04967 0.03707 0.13764 0.15019 173 3PZ -0.12204 0.40700 0.08109 0.10557 -0.18583 174 4XX 0.52974 0.72190 0.73937 -0.41038 0.58969 175 4YY 0.49602 0.62546 0.69375 -0.47278 0.79098 176 4ZZ 0.52185 0.74866 0.74058 -0.33831 0.59839 177 4XY -0.00300 -0.04029 0.00913 -0.03442 0.01275 178 4XZ 0.01391 -0.00553 -0.02762 -0.03985 0.01702 179 4YZ -0.02309 0.05196 -0.03472 0.01426 -0.00316 180 19 H 1S -0.03702 -0.04978 -0.09403 0.00313 -0.02855 181 2S 0.16538 0.03211 0.16305 -0.11827 0.18473 182 20 C 1S 0.10990 -0.15317 0.07436 0.17753 -0.08002 183 2S -0.62274 0.70469 -0.20248 -0.78797 0.13433 184 2PX -0.02053 0.06135 -0.03803 -0.03695 0.03461 185 2PY -0.01058 0.03588 0.00593 -0.05982 0.02208 186 2PZ -0.03247 -0.08064 -0.02220 -0.02594 0.04645 187 3S -0.40751 0.89548 -0.17888 -1.01361 0.67689 188 3PX -0.04404 -0.21097 0.19097 0.05972 -0.21794 189 3PY 0.19494 -0.28451 0.04629 0.39046 -0.38669 190 3PZ -0.04648 0.27458 -0.00024 -0.02459 0.15078 191 4XX 0.41745 -0.51585 0.17748 0.67019 -0.24237 192 4YY 0.43080 -0.49116 0.23552 0.60803 -0.21373 193 4ZZ 0.35562 -0.62641 0.15442 0.60634 -0.18192 194 4XY 0.04519 -0.10911 0.05439 -0.02311 0.01946 195 4XZ 0.03326 -0.00176 0.03845 0.01397 -0.04330 196 4YZ -0.00482 0.10929 -0.00460 0.01341 -0.04070 197 21 H 1S -0.08710 0.09299 -0.05301 -0.06292 0.03844 198 2S 0.03737 -0.01631 0.03105 0.00832 0.09409 199 22 C 1S 0.13192 0.18936 0.19739 0.11525 -0.15207 200 2S -0.88661 -0.92180 -1.11783 -0.53253 0.93180 201 2PX -0.02746 0.00288 -0.01721 -0.04391 0.03455 202 2PY 0.04580 0.02864 0.04397 -0.08505 0.12410 203 2PZ 0.00080 -0.09620 -0.06369 0.00011 0.05399 204 3S -0.23421 -1.08870 -0.56402 -0.50547 0.13494 205 3PX 0.08086 -0.07281 0.04588 0.17774 -0.14597 206 3PY -0.09442 0.04255 -0.03464 0.12976 0.16629 207 3PZ -0.10719 0.40349 0.07697 -0.10365 0.19116 208 4XX 0.52081 0.71882 0.74682 0.41955 -0.58036 209 4YY 0.48486 0.61049 0.70432 0.48752 -0.78356 210 4ZZ 0.51684 0.74028 0.74808 0.35039 -0.59195 211 4XY 0.00108 0.03188 -0.01363 -0.02920 -0.00609 212 4XZ 0.01267 -0.01003 -0.02328 0.04020 -0.01456 213 4YZ 0.02061 -0.05140 0.03612 0.01237 -0.00119 214 23 H 1S -0.03809 -0.04828 -0.09403 -0.00546 0.02639 215 2S 0.15965 0.03304 0.16471 0.11980 -0.18864 211 212 213 214 215 V V V V V Eigenvalues -- 4.52795 4.58803 4.64649 4.69207 4.93573 1 1 C 1S 0.07881 -0.07758 0.10620 0.02345 -0.08680 2 2S -0.39248 0.46087 -0.46814 -0.10583 0.24638 3 2PX 0.05117 -0.02994 0.05302 0.00140 -0.00719 4 2PY -0.01419 -0.03339 0.07095 0.01309 -0.03179 5 2PZ -0.03033 0.03634 -0.02973 -0.01690 0.00389 6 3S -0.47843 0.93379 -1.13144 -0.13435 4.05858 7 3PX -0.27340 0.27319 -0.28792 -0.32854 1.31673 8 3PY -0.18268 -0.01150 -0.39332 -0.42446 1.73705 9 3PZ 0.18952 -0.19231 0.20208 0.27112 -0.96056 10 4XX 0.30255 -0.31502 0.38414 0.09037 -0.26459 11 4YY 0.28970 -0.43184 0.48662 0.10300 -0.38992 12 4ZZ 0.31453 -0.32974 0.38492 0.08321 -0.28132 13 4XY -0.03788 0.07854 -0.04532 -0.04127 0.07505 14 4XZ -0.00523 0.06592 -0.01413 0.01286 0.01564 15 4YZ 0.03523 -0.08744 0.02040 0.05082 -0.08704 16 2 C 1S -0.14253 0.23454 -0.05400 -0.15764 0.24498 17 2S 0.61764 -0.98700 0.27526 0.50628 -0.59737 18 2PX -0.00947 0.03721 -0.01483 0.00278 -0.02756 19 2PY 0.06062 -0.02977 0.01861 0.08574 -0.07044 20 2PZ 0.01581 0.04668 0.01803 0.03105 -0.01884 21 3S 0.24017 -0.67860 0.79119 -0.08742 -2.22437 22 3PX 0.16868 0.06366 0.14704 0.56706 -0.86019 23 3PY 1.07081 -0.44627 0.18540 2.41498 -4.13999 24 3PZ -0.00828 -0.26271 -0.21866 -0.14816 0.06506 25 4XX -0.52072 0.81644 -0.23402 -0.53454 0.76389 26 4YY -0.61552 1.00139 -0.22773 -0.62413 0.90779 27 4ZZ -0.50632 0.80005 -0.22538 -0.51291 0.77639 28 4XY -0.03460 -0.01798 0.00947 -0.06015 0.04500 29 4XZ 0.08339 0.00490 0.06095 0.09799 -0.11846 30 4YZ -0.00012 0.07611 -0.02163 0.05805 -0.04718 31 3 C 1S 0.09924 0.22109 0.02234 0.26619 -0.33856 32 2S -0.50673 -0.56757 -0.37147 -0.75533 0.72126 33 2PX 0.01415 0.00901 0.01214 -0.05901 -0.02180 34 2PY -0.01805 0.08505 0.01750 0.03733 -0.02722 35 2PZ 0.05549 0.07491 0.05854 0.10066 -0.11030 36 3S -0.58060 -2.52468 0.54307 -2.48371 7.58604 37 3PX 0.18881 -0.17609 0.72405 0.20655 -0.71754 38 3PY -0.14696 -0.54954 0.25859 -0.21123 1.89775 39 3PZ -0.13547 -0.67758 -0.05293 -0.84057 1.88211 40 4XX 0.41245 0.61114 0.21392 0.84525 -1.00464 41 4YY 0.35077 0.80676 0.16349 0.80444 -1.22614 42 4ZZ 0.41880 0.66201 0.17426 0.89704 -1.03054 43 4XY 0.04647 -0.07194 0.01194 0.08127 -0.10203 44 4XZ -0.00568 0.03605 0.02759 -0.06122 0.03712 45 4YZ -0.03616 -0.00327 -0.00815 -0.00441 0.11724 46 4 C 1S 0.11154 -0.22663 0.02079 0.25418 0.33696 47 2S -0.57282 0.58813 0.24967 -0.77217 -0.72434 48 2PX 0.01162 -0.00308 -0.01669 -0.05512 0.02167 49 2PY 0.01232 0.08639 0.01630 -0.03090 -0.02702 50 2PZ 0.05662 -0.07910 -0.03875 0.10992 0.11485 51 3S -0.65259 2.55694 -0.92710 -2.23103 -7.56479 52 3PX 0.18262 0.12322 -0.64954 0.40207 0.82423 53 3PY 0.12289 -0.56636 0.30580 0.10106 1.84850 54 3PZ -0.13366 0.70656 -0.08049 -0.82358 -1.91981 55 4XX 0.45382 -0.63743 -0.07560 0.82488 0.99580 56 4YY 0.40880 -0.81740 -0.03111 0.78329 1.23637 57 4ZZ 0.46452 -0.68129 -0.02943 0.88191 1.02406 58 4XY -0.04869 -0.07944 -0.00309 -0.08644 -0.08765 59 4XZ -0.00022 -0.03616 -0.04031 -0.05405 -0.02923 60 4YZ 0.03933 0.00169 -0.00631 0.00972 0.11942 61 5 C 1S -0.13523 -0.23016 0.02390 -0.17394 -0.24747 62 2S 0.59981 0.97575 -0.17313 0.56890 0.60286 63 2PX -0.01564 -0.04053 0.01441 -0.01001 0.02251 64 2PY -0.05680 -0.02415 0.00243 -0.08581 -0.07105 65 2PZ 0.01798 -0.04913 -0.01219 0.03318 0.02048 66 3S 0.24093 0.71469 -0.75660 0.14504 2.24005 67 3PX 0.11276 -0.09611 -0.04891 0.44819 0.58910 68 3PY -0.99542 -0.33113 -0.20061 -2.48524 -4.23281 69 3PZ -0.02576 0.26891 0.18435 -0.19048 -0.05505 70 4XX -0.49948 -0.80682 0.13343 -0.58708 -0.76567 71 4YY -0.59174 -0.97952 0.10526 -0.69602 -0.92194 72 4ZZ -0.48638 -0.78730 0.12466 -0.57235 -0.78666 73 4XY 0.03040 -0.03184 0.01734 0.05002 0.03592 74 4XZ 0.08568 -0.00409 -0.04414 0.10004 0.11752 75 4YZ -0.00916 0.07715 -0.02808 -0.05892 -0.05468 76 6 C 1S 0.07632 0.07781 -0.09790 0.04222 0.08717 77 2S -0.38496 -0.46355 0.43019 -0.18366 -0.24631 78 2PX 0.05101 0.02783 -0.04517 0.00935 0.00528 79 2PY 0.01030 -0.03449 0.07159 -0.02485 -0.03312 80 2PZ -0.02940 -0.03528 0.02506 -0.02229 -0.00301 81 3S -0.38913 -0.92882 1.08341 -0.38553 -4.07245 82 3PX -0.22998 -0.26174 0.20414 -0.36338 -1.21154 83 3PY 0.17474 -0.01396 -0.32758 0.53162 1.82208 84 3PZ 0.16499 0.17979 -0.15184 0.31842 0.95979 85 4XX 0.29815 0.32414 -0.35740 0.16279 0.27406 86 4YY 0.27610 0.42251 -0.44823 0.18147 0.38159 87 4ZZ 0.30572 0.33184 -0.35374 0.15152 0.28287 88 4XY 0.03405 0.08341 -0.04412 0.05225 0.08433 89 4XZ -0.00705 -0.07229 0.01606 0.00560 -0.02097 90 4YZ -0.03291 -0.08169 0.01062 -0.05666 -0.08597 91 7 H 1S -0.04174 0.00838 -0.04509 -0.04994 0.08874 92 2S -0.07792 -0.01338 -0.03832 -0.19729 0.43435 93 8 H 1S -0.04648 -0.01712 -0.08964 -0.07994 -0.01720 94 2S 0.05803 0.00381 -0.08690 0.05576 0.12449 95 9 H 1S -0.04513 0.02115 0.07831 -0.09904 0.01540 96 2S 0.07161 0.00212 0.09836 0.02958 -0.14211 97 10 H 1S -0.04032 -0.00697 0.03468 -0.05761 -0.08872 98 2S -0.06928 0.02321 0.00490 -0.20909 -0.43679 99 11 O 1S -0.09074 0.02388 0.00228 -0.21959 0.22527 100 2S -0.19138 0.00629 0.00369 -0.51305 0.59026 101 2PX 0.00273 -0.01989 -0.00281 -0.00443 -0.00960 102 2PY 0.03165 -0.11928 0.02098 -0.02870 -0.01046 103 2PZ -0.00220 -0.01022 -0.01070 0.00996 -0.01155 104 3S 1.68209 -0.47442 -0.04545 4.05862 -4.66375 105 3PX 0.03117 -0.00485 -0.00635 0.07546 -0.03977 106 3PY 0.52600 -0.24652 0.01279 1.13196 -1.22964 107 3PZ 0.03255 0.06539 0.05738 0.05236 -0.04675 108 4XX -0.32552 0.11120 -0.00133 -0.75450 0.76049 109 4YY -0.10213 -0.12006 0.04606 -0.42155 0.39417 110 4ZZ -0.33089 0.10392 0.00099 -0.77234 0.78183 111 4XY 0.01486 -0.00769 0.00071 0.03082 -0.02989 112 4XZ -0.01090 0.00478 -0.01127 -0.01679 0.01698 113 4YZ 0.01653 0.02162 0.01933 0.03112 -0.02579 114 12 O 1S -0.08343 -0.01310 -0.03785 -0.21631 -0.22789 115 2S -0.17837 0.01747 -0.08427 -0.50223 -0.59705 116 2PX 0.00069 0.01269 0.00379 -0.00202 0.00841 117 2PY -0.03071 -0.12213 0.02346 0.01968 -0.01127 118 2PZ -0.00218 0.01002 0.01243 0.00853 0.01151 119 3S 1.55138 0.27721 0.69206 3.99756 4.71754 120 3PX -0.00606 -0.01520 0.00466 -0.00429 -0.03615 121 3PY -0.49192 -0.19343 -0.17112 -1.12239 -1.24383 122 3PZ 0.03394 -0.06803 -0.04794 0.05990 0.04395 123 4XX -0.30058 -0.07434 -0.12220 -0.74824 -0.77108 124 4YY -0.08768 0.14312 -0.11040 -0.40045 -0.39713 125 4ZZ -0.30559 -0.06672 -0.12724 -0.76193 -0.79057 126 4XY 0.00280 0.01125 -0.00304 -0.00330 -0.00301 127 4XZ -0.01316 -0.00322 0.00813 -0.02022 -0.01861 128 4YZ -0.01647 0.02275 0.01318 -0.03234 -0.02344 129 13 C 1S -0.27662 -0.00924 0.01019 0.09012 0.00146 130 2S 1.41607 0.04224 -0.04828 -0.42736 -0.00516 131 2PX 0.08706 0.00221 -0.00147 0.02226 -0.00224 132 2PY -0.00351 -0.00661 -0.06749 0.00734 -0.07258 133 2PZ -0.05827 -0.00262 0.00297 0.01489 0.00006 134 3S 2.52549 0.10305 -0.20041 -1.92968 -0.04573 135 3PX -0.31427 -0.01501 0.01571 0.39067 0.00399 136 3PY 0.00763 0.03099 -0.47655 0.03319 -0.12551 137 3PZ 0.10270 0.01638 -0.06103 -0.48108 -0.00886 138 4XX -1.03505 -0.02985 0.03174 0.34704 0.00205 139 4YY -1.18018 -0.04274 0.05664 0.45008 0.00924 140 4ZZ -1.06331 -0.03358 0.03367 0.28076 0.00552 141 4XY -0.00816 0.05092 -0.09922 0.01480 -0.02324 142 4XZ 0.10846 0.00018 0.00174 -0.00175 -0.00115 143 4YZ -0.00349 -0.05047 0.08673 -0.00817 0.01418 144 14 H 1S -0.02793 -0.00209 0.00749 0.05672 0.00219 145 2S -0.23128 -0.00881 0.01744 0.16064 0.00122 146 15 H 1S -0.00040 -0.00104 0.00376 0.05893 0.00083 147 2S -0.37823 -0.00600 -0.00827 -0.05623 0.00211 148 16 C 1S 0.22865 -0.12225 0.31927 -0.26386 0.11048 149 2S -1.28397 0.11805 -1.04014 0.85142 0.13478 150 2PX -0.01394 0.01695 -0.04396 0.02934 0.05775 151 2PY 0.08209 -0.03872 0.15187 -0.12317 0.04372 152 2PZ 0.00915 -0.02408 0.00487 -0.03205 0.04533 153 3S -1.82299 0.71901 -3.71067 2.77744 -2.20956 154 3PX -0.08648 -0.37999 0.41015 -0.29627 0.58767 155 3PY -0.23541 0.22151 -1.36916 0.91283 -0.86729 156 3PZ 0.08612 -0.17344 -0.33540 0.08704 -0.23576 157 4XX 0.90417 -0.31787 1.06429 -0.81547 0.16359 158 4YY 0.99791 -0.31491 1.01759 -0.95284 0.22981 159 4ZZ 0.93038 -0.26506 1.19543 -0.86536 0.24958 160 4XY 0.05656 -0.05835 0.01825 -0.02494 0.06152 161 4XZ -0.06445 -0.00251 -0.05533 0.03957 -0.05269 162 4YZ -0.02136 0.03888 0.04684 -0.00711 0.00456 163 17 H 1S -0.05315 -0.00045 -0.07427 0.08346 0.00906 164 2S 0.27811 -0.00992 -0.08113 -0.02172 -0.15269 165 18 C 1S -0.06442 -0.22715 -0.20342 -0.04700 -0.01124 166 2S 0.38545 0.80647 0.94560 0.20234 0.04281 167 2PX -0.00887 0.00812 -0.03130 0.01922 0.00293 168 2PY 0.02015 -0.12942 -0.07829 0.00499 0.00627 169 2PZ 0.06629 0.10280 0.10162 0.04446 -0.02785 170 3S 0.51149 2.36180 3.75764 -0.73537 1.25835 171 3PX 0.00824 0.03454 0.32736 -0.10753 0.13329 172 3PY -0.02267 0.80710 0.88569 -0.01838 0.10060 173 3PZ -0.15694 -0.57775 -1.21061 0.29918 -0.51423 174 4XX -0.27628 -0.78120 -0.73835 -0.16174 -0.03610 175 4YY -0.22595 -0.93646 -0.88662 -0.14679 -0.02855 176 4ZZ -0.34364 -0.70852 -0.84941 -0.11338 -0.06090 177 4XY 0.00167 -0.05268 0.01811 -0.03328 0.02711 178 4XZ 0.06941 0.00183 0.08393 -0.01690 -0.00197 179 4YZ -0.05294 -0.02243 -0.07761 0.08151 0.00429 180 19 H 1S 0.01346 0.07750 0.07493 0.05304 0.00317 181 2S -0.03752 0.01868 0.12910 -0.04650 0.02413 182 20 C 1S 0.22071 0.13849 -0.36302 -0.18971 -0.11815 183 2S -1.26173 -0.18962 1.20686 0.63924 -0.12082 184 2PX -0.01962 -0.02470 0.06154 0.02735 -0.04545 185 2PY -0.08003 -0.04376 0.16979 0.08781 0.05164 186 2PZ 0.00738 0.02216 -0.01083 -0.02824 -0.04090 187 3S -1.76211 -0.84983 4.14262 1.93400 2.28573 188 3PX -0.07651 0.38392 -0.54025 -0.22087 -0.64385 189 3PY 0.23748 0.22900 -1.48565 -0.59421 -0.85848 190 3PZ 0.07965 0.17209 0.35941 0.02919 0.23906 191 4XX 0.87480 0.36943 -1.20491 -0.57370 -0.18061 192 4YY 0.97841 0.38790 -1.18642 -0.72691 -0.26246 193 4ZZ 0.90532 0.32404 -1.34597 -0.60732 -0.27647 194 4XY -0.04606 -0.06559 0.02504 0.00580 0.05983 195 4XZ -0.05988 0.00047 0.06325 0.03104 0.05501 196 4YZ 0.02753 0.03915 0.04426 -0.00054 0.00350 197 21 H 1S -0.05382 -0.00338 0.09164 0.07010 -0.00716 198 2S 0.26865 0.02425 0.07701 -0.04152 0.15229 199 22 C 1S -0.06559 0.23050 0.19401 -0.06897 0.01387 200 2S 0.37953 -0.81938 -0.90085 0.31758 -0.04572 201 2PX -0.01091 -0.01993 0.02930 0.01401 -0.00173 202 2PY -0.01875 -0.13048 -0.07946 -0.00065 0.00478 203 2PZ 0.06681 -0.10467 -0.09625 0.05400 0.02575 204 3S 0.53707 -2.33746 -3.85808 -0.15089 -1.30008 205 3PX 0.01266 0.02843 -0.28408 -0.05504 -0.13215 206 3PY 0.00324 0.81431 0.89862 -0.09258 0.11842 207 3PZ -0.16401 0.57673 1.25558 0.09139 0.53951 208 4XX -0.27882 0.78751 0.70884 -0.24072 0.04871 209 4YY -0.22842 0.95194 0.85151 -0.24772 0.03203 210 4ZZ -0.34106 0.71544 0.82487 -0.22065 0.06914 211 4XY 0.00318 -0.04100 0.03647 0.02509 0.02656 212 4XZ 0.07235 0.00113 -0.09291 -0.00763 -0.00097 213 4YZ 0.04727 -0.01726 -0.08550 -0.06647 0.00199 214 23 H 1S 0.01509 -0.08097 -0.06523 0.05999 -0.00468 215 2S -0.03424 -0.02244 -0.13566 -0.02131 -0.02956 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05492 2 2S -0.06617 0.33261 3 2PX 0.00095 0.00065 0.37446 4 2PY 0.00034 0.00093 0.00639 0.44326 5 2PZ -0.00063 -0.00113 -0.05180 -0.00115 0.35702 6 3S -0.19837 0.31867 0.04015 -0.08333 -0.03159 7 3PX -0.00496 -0.00196 0.18316 -0.01513 0.02202 8 3PY 0.00118 -0.01039 -0.01221 0.11760 0.00538 9 3PZ 0.00317 0.00289 0.02285 0.00934 0.19034 10 4XX -0.01610 -0.00635 0.00036 -0.01098 0.00412 11 4YY -0.01829 -0.00033 -0.00089 0.01154 0.00065 12 4ZZ -0.01480 -0.00904 -0.00277 -0.00793 -0.00190 13 4XY -0.00164 0.00313 -0.00646 0.00004 0.01544 14 4XZ 0.00461 -0.00924 0.00269 0.01032 -0.00098 15 4YZ 0.00124 -0.00242 0.01551 0.00031 -0.00116 16 2 C 1S 0.01346 -0.02848 -0.04550 0.03796 0.04038 17 2S -0.02603 0.04892 0.09522 -0.08377 -0.08262 18 2PX 0.04413 -0.08901 -0.08668 0.10734 0.15042 19 2PY -0.03586 0.06644 0.10771 -0.08515 -0.10132 20 2PZ -0.03952 0.08246 0.15486 -0.10095 -0.04745 21 3S 0.00029 0.02342 0.09370 -0.07342 -0.08731 22 3PX -0.00407 0.00105 0.01240 0.01805 0.02360 23 3PY -0.00383 0.01992 0.04221 0.02137 -0.04169 24 3PZ 0.00169 0.00379 0.02849 -0.01489 0.01163 25 4XX -0.00159 0.00183 -0.00898 -0.00375 -0.00218 26 4YY 0.00029 -0.00131 -0.00009 0.01182 0.00056 27 4ZZ -0.00154 0.00173 0.00287 -0.00430 0.00785 28 4XY 0.00628 -0.01224 -0.00685 0.00721 0.01404 29 4XZ 0.00340 -0.00602 -0.00034 0.00604 -0.00065 30 4YZ -0.00522 0.01018 0.01340 -0.00556 -0.00278 31 3 C 1S -0.00567 0.01215 0.01532 -0.00806 -0.01365 32 2S 0.01170 -0.02449 -0.03447 0.01829 0.02942 33 2PX -0.01769 0.04284 0.04175 -0.02642 -0.04547 34 2PY -0.00551 0.01102 0.02050 -0.01582 -0.01341 35 2PZ 0.01292 -0.02696 -0.03861 0.02146 0.02485 36 3S 0.02867 -0.06453 -0.10585 0.04194 0.08813 37 3PX -0.01237 0.03224 0.04630 -0.01506 -0.03916 38 3PY -0.00346 0.00074 0.02514 -0.01067 -0.01702 39 3PZ 0.00673 -0.01525 -0.02240 0.00672 0.02401 40 4XX -0.00041 0.00079 0.00060 -0.00150 -0.00456 41 4YY 0.00025 -0.00027 -0.00217 0.00098 0.00170 42 4ZZ -0.00074 0.00169 0.00475 -0.00167 -0.00036 43 4XY 0.00057 -0.00105 -0.00225 0.00098 0.00112 44 4XZ 0.00041 -0.00079 -0.00363 0.00160 0.00121 45 4YZ -0.00064 0.00140 0.00126 -0.00067 -0.00189 46 4 C 1S -0.00057 -0.00027 0.00203 0.00149 -0.00190 47 2S 0.00068 -0.00099 -0.00697 -0.00140 0.00510 48 2PX -0.00532 0.01430 0.00228 0.00452 -0.02781 49 2PY -0.00253 0.00660 0.00873 0.00136 -0.01135 50 2PZ 0.00014 0.00235 -0.01243 -0.00702 -0.01409 51 3S -0.00175 0.01527 0.00400 -0.01696 -0.00404 52 3PX -0.00466 0.00988 -0.00300 0.00761 -0.01088 53 3PY 0.00002 -0.00265 -0.00410 0.00996 -0.00172 54 3PZ 0.00116 0.00215 0.00720 -0.00945 -0.00646 55 4XX 0.00015 -0.00050 -0.00153 -0.00082 -0.00157 56 4YY -0.00002 0.00010 -0.00058 0.00104 0.00026 57 4ZZ -0.00011 -0.00011 0.00111 -0.00008 0.00148 58 4XY 0.00048 -0.00127 -0.00141 0.00144 0.00093 59 4XZ -0.00019 0.00028 -0.00122 0.00116 -0.00078 60 4YZ -0.00030 0.00074 0.00066 -0.00139 -0.00131 61 5 C 1S -0.00349 0.00760 0.00435 0.01367 -0.00379 62 2S 0.00913 -0.01830 -0.00906 -0.03766 0.01030 63 2PX -0.00861 0.02094 0.02420 0.02480 0.00422 64 2PY -0.00989 0.02467 0.01035 0.03854 -0.00761 65 2PZ 0.00683 -0.01652 0.00307 -0.02368 0.02076 66 3S 0.00266 -0.01806 -0.04610 -0.04689 0.03073 67 3PX -0.00227 0.00742 0.02085 0.01075 -0.01094 68 3PY 0.00879 -0.01264 0.00724 -0.02841 -0.00125 69 3PZ 0.00088 -0.00430 -0.01226 -0.00717 0.01383 70 4XX 0.00048 -0.00094 -0.00521 -0.00226 -0.00618 71 4YY -0.00175 0.00366 0.00144 0.00865 -0.00032 72 4ZZ 0.00072 -0.00160 0.00461 -0.00251 0.00642 73 4XY 0.00000 -0.00012 -0.00448 0.00195 -0.00667 74 4XZ -0.00043 0.00097 -0.00067 0.00134 -0.00089 75 4YZ 0.00010 -0.00026 -0.00657 -0.00116 -0.00595 76 6 C 1S 0.01935 -0.04017 -0.00335 -0.08693 0.00115 77 2S -0.04018 0.07226 0.00451 0.17426 -0.00116 78 2PX 0.00212 -0.00654 0.14449 -0.01571 0.13093 79 2PY 0.08706 -0.17431 -0.01308 -0.32367 -0.00607 80 2PZ 0.00076 -0.00049 0.13105 0.00013 0.18856 81 3S 0.02188 -0.01273 0.01570 0.13343 -0.00521 82 3PX 0.00638 -0.00674 0.09169 -0.01913 0.09209 83 3PY 0.00181 -0.01711 0.00827 -0.08990 -0.01351 84 3PZ -0.00431 0.00209 0.09047 0.01117 0.12234 85 4XX 0.00283 -0.00653 0.00002 -0.01052 0.00189 86 4YY -0.00582 0.01026 0.00125 0.00554 -0.00031 87 4ZZ 0.00261 -0.00600 -0.00191 -0.00954 -0.00111 88 4XY -0.00039 0.00058 -0.01422 -0.00025 0.00056 89 4XZ -0.00087 0.00198 0.00014 0.00300 -0.00014 90 4YZ 0.00011 -0.00007 0.00059 0.00076 -0.01400 91 7 H 1S -0.06077 0.11653 -0.17677 -0.13954 0.14596 92 2S -0.01017 0.02151 -0.15552 -0.10305 0.12744 93 8 H 1S -0.00613 0.01374 0.02251 -0.00998 -0.01218 94 2S -0.01233 0.02501 0.05368 -0.02599 -0.02446 95 9 H 1S 0.00032 -0.00092 0.00477 0.00550 0.00647 96 2S 0.00393 -0.00853 0.00754 0.00140 0.01867 97 10 H 1S 0.01325 -0.02750 0.01225 -0.04287 -0.01189 98 2S 0.01518 -0.02763 0.03024 -0.07264 -0.02742 99 11 O 1S -0.00266 0.00602 0.00155 -0.01118 -0.00243 100 2S 0.00759 -0.01632 -0.00733 0.02521 0.00962 101 2PX -0.02405 0.04915 0.02775 -0.06000 -0.04798 102 2PY 0.01533 -0.02670 -0.02905 0.04610 0.03047 103 2PZ 0.02226 -0.04269 -0.05123 0.05851 0.01311 104 3S 0.00031 0.00027 0.01604 0.06099 -0.00991 105 3PX -0.01979 0.04165 0.02224 -0.05161 -0.04861 106 3PY 0.00740 -0.01273 -0.01142 0.03784 0.01588 107 3PZ 0.01802 -0.03583 -0.04922 0.05019 0.00750 108 4XX 0.00022 -0.00052 -0.00198 -0.00171 0.00084 109 4YY 0.00071 -0.00130 -0.00056 -0.00137 0.00022 110 4ZZ 0.00022 -0.00066 -0.00045 -0.00140 0.00168 111 4XY 0.00019 -0.00019 -0.00140 0.00072 0.00225 112 4XZ 0.00003 -0.00026 0.00051 0.00131 -0.00047 113 4YZ 0.00002 0.00017 0.00207 -0.00058 -0.00077 114 12 O 1S 0.00127 -0.00302 -0.00148 -0.00568 0.00054 115 2S -0.00262 0.00590 0.00282 0.01127 0.00058 116 2PX 0.00854 -0.01725 -0.04393 -0.02511 -0.05246 117 2PY 0.00733 -0.01885 -0.00917 -0.03202 -0.00303 118 2PZ -0.00770 0.01383 -0.05069 0.02987 -0.05378 119 3S -0.00868 0.01892 0.01078 0.04549 -0.00983 120 3PX 0.00651 -0.01424 -0.03835 -0.02102 -0.03852 121 3PY 0.00551 -0.01429 -0.00964 -0.02796 0.00072 122 3PZ -0.00561 0.01095 -0.03648 0.02441 -0.04420 123 4XX 0.00028 -0.00090 -0.00104 -0.00179 -0.00019 124 4YY 0.00016 -0.00012 0.00005 -0.00095 0.00072 125 4ZZ 0.00024 -0.00083 -0.00003 -0.00148 0.00121 126 4XY 0.00006 -0.00007 0.00140 0.00001 0.00219 127 4XZ -0.00021 0.00040 -0.00027 0.00092 -0.00022 128 4YZ -0.00002 0.00004 0.00213 -0.00034 0.00195 129 13 C 1S -0.00041 0.00131 0.00062 -0.00020 -0.00146 130 2S 0.00118 -0.00426 -0.00118 0.00151 0.00555 131 2PX -0.00068 0.00200 -0.00595 -0.00014 -0.00930 132 2PY 0.00000 0.00011 -0.00086 -0.00094 -0.00145 133 2PZ -0.00067 -0.00010 0.00123 -0.00198 -0.00271 134 3S 0.00131 -0.00218 -0.00113 -0.00402 0.00148 135 3PX 0.00029 -0.00231 -0.00981 0.00540 -0.00311 136 3PY -0.00002 0.00020 -0.00073 -0.00124 -0.00294 137 3PZ -0.00085 0.00269 0.00539 -0.00385 -0.00497 138 4XX -0.00010 0.00026 -0.00075 -0.00015 -0.00184 139 4YY 0.00007 -0.00030 0.00030 0.00018 0.00093 140 4ZZ 0.00008 -0.00002 0.00078 0.00017 0.00142 141 4XY -0.00006 0.00014 0.00051 -0.00018 0.00012 142 4XZ -0.00015 0.00026 -0.00018 -0.00010 -0.00080 143 4YZ -0.00005 0.00014 0.00041 -0.00019 -0.00012 144 14 H 1S -0.00075 0.00112 -0.00570 -0.00080 -0.01066 145 2S -0.00188 0.00484 -0.00461 -0.00338 -0.01824 146 15 H 1S 0.00070 -0.00070 0.00158 0.00139 0.00607 147 2S 0.00020 0.00162 0.00730 -0.00103 0.00625 148 16 C 1S 0.00010 0.00022 0.00180 -0.00061 0.00136 149 2S -0.00014 0.00064 0.00204 -0.00120 -0.00115 150 2PX 0.00129 -0.00310 0.00881 0.00241 0.01977 151 2PY -0.00056 0.00091 0.00153 -0.00134 -0.00095 152 2PZ 0.00020 0.00084 0.00142 0.00055 0.00540 153 3S 0.00064 -0.00654 -0.02691 0.01539 -0.00765 154 3PX 0.00298 -0.00506 0.01400 0.00182 0.02610 155 3PY -0.00215 0.00183 -0.00684 -0.00037 -0.00707 156 3PZ 0.00078 -0.00070 -0.00387 0.00408 0.01030 157 4XX 0.00028 -0.00046 -0.00019 0.00010 0.00057 158 4YY 0.00010 -0.00010 0.00059 -0.00032 0.00017 159 4ZZ -0.00015 0.00088 0.00138 -0.00054 -0.00022 160 4XY -0.00001 0.00001 0.00051 -0.00015 0.00065 161 4XZ -0.00007 0.00061 0.00014 -0.00012 -0.00035 162 4YZ -0.00002 0.00005 -0.00001 0.00001 0.00002 163 17 H 1S 0.00038 -0.00122 -0.00017 0.00017 0.00100 164 2S -0.00301 0.00520 0.00243 -0.00814 -0.00939 165 18 C 1S -0.00062 0.00102 0.00126 -0.00016 0.00131 166 2S 0.00017 -0.00173 -0.00813 0.00101 -0.00822 167 2PX -0.00124 0.01166 0.00648 0.00096 0.00378 168 2PY -0.00002 -0.00042 -0.00165 -0.00219 -0.00098 169 2PZ 0.00113 -0.00122 -0.00468 0.00349 0.00009 170 3S 0.00417 -0.00255 0.01320 -0.00479 0.00142 171 3PX -0.00275 0.00948 -0.00045 0.00091 -0.00551 172 3PY 0.00138 -0.00116 0.00132 0.00118 0.00796 173 3PZ -0.00027 0.00085 -0.01082 0.00494 -0.00709 174 4XX -0.00065 0.00071 0.00156 -0.00009 0.00096 175 4YY -0.00015 0.00002 -0.00087 0.00008 -0.00093 176 4ZZ -0.00024 0.00006 -0.00093 0.00011 -0.00147 177 4XY -0.00011 0.00045 0.00052 -0.00029 -0.00009 178 4XZ -0.00003 0.00010 0.00006 -0.00003 -0.00022 179 4YZ -0.00020 0.00047 0.00040 -0.00031 -0.00010 180 19 H 1S 0.00083 -0.00363 -0.00586 0.00242 -0.00302 181 2S 0.00077 -0.00235 0.00020 0.00065 0.00758 182 20 C 1S -0.00010 0.00042 0.00140 -0.00121 0.00040 183 2S 0.00053 -0.00110 0.00088 0.00115 0.00298 184 2PX -0.00031 0.00060 0.02040 -0.00395 0.02133 185 2PY -0.00054 0.00159 0.00379 -0.00056 0.00294 186 2PZ -0.00027 0.00166 0.01135 -0.00119 0.01023 187 3S -0.00049 -0.00227 -0.01647 0.01395 -0.00705 188 3PX -0.00050 0.00119 0.02670 -0.00428 0.02633 189 3PY -0.00141 0.00464 0.01018 -0.00332 0.00092 190 3PZ -0.00156 0.00291 0.00814 -0.00106 0.00655 191 4XX -0.00003 0.00002 -0.00036 -0.00028 -0.00065 192 4YY 0.00012 -0.00033 0.00060 -0.00019 0.00100 193 4ZZ -0.00003 0.00031 0.00088 -0.00005 0.00059 194 4XY -0.00007 0.00011 -0.00025 0.00010 -0.00039 195 4XZ -0.00020 0.00076 0.00051 -0.00018 -0.00077 196 4YZ 0.00001 -0.00009 -0.00019 0.00001 -0.00017 197 21 H 1S 0.00007 -0.00047 0.00306 -0.00040 0.00490 198 2S 0.00127 -0.00363 -0.00459 -0.00379 0.00081 199 22 C 1S -0.00022 0.00049 0.00141 0.00014 0.00085 200 2S 0.00040 -0.00073 -0.00691 0.00078 -0.00644 201 2PX -0.00271 0.01362 0.01725 -0.00142 0.00520 202 2PY -0.00026 0.00092 0.00219 0.00140 0.00136 203 2PZ -0.00115 0.00445 -0.00045 -0.00143 -0.00639 204 3S -0.00033 -0.00058 0.00531 -0.00527 0.00424 205 3PX -0.00176 0.00988 0.00656 -0.00008 -0.00565 206 3PY 0.00142 -0.00145 -0.00286 0.00078 -0.00195 207 3PZ -0.00159 0.00426 -0.00255 0.00132 -0.00731 208 4XX -0.00016 0.00022 0.00134 0.00018 0.00109 209 4YY -0.00005 0.00002 -0.00064 0.00007 -0.00078 210 4ZZ -0.00001 -0.00002 -0.00113 0.00030 -0.00141 211 4XY -0.00007 -0.00031 0.00015 0.00007 0.00009 212 4XZ -0.00001 0.00001 -0.00037 0.00006 -0.00038 213 4YZ -0.00008 0.00001 -0.00015 -0.00010 -0.00045 214 23 H 1S -0.00002 -0.00018 -0.00514 0.00004 -0.00614 215 2S -0.00027 0.00029 0.00066 -0.00114 -0.00119 6 7 8 9 10 6 3S 0.45801 7 3PX 0.03488 0.10403 8 3PY 0.00701 -0.00676 0.06104 9 3PZ -0.02025 0.03267 0.00249 0.11314 10 4XX -0.00328 0.00106 -0.00200 0.00194 0.00073 11 4YY -0.00417 -0.00140 0.00127 0.00077 -0.00020 12 4ZZ -0.00583 -0.00112 -0.00109 -0.00154 0.00045 13 4XY 0.00343 -0.00048 0.00048 0.00723 0.00006 14 4XZ -0.00933 0.00104 0.00228 -0.00022 -0.00017 15 4YZ -0.00237 0.00737 -0.00044 0.00194 -0.00003 16 2 C 1S 0.02038 0.00522 0.01765 -0.00229 -0.00174 17 2S -0.00862 0.00727 -0.02597 -0.00806 0.00288 18 2PX -0.11857 -0.03414 0.06730 0.07013 0.00566 19 2PY 0.11769 0.06774 0.01727 -0.05999 0.00286 20 2PZ 0.09017 0.06842 -0.06659 -0.01165 0.00208 21 3S -0.00552 0.01407 -0.01437 -0.01702 0.00234 22 3PX 0.00205 0.00474 0.00492 0.01389 0.00156 23 3PY -0.00249 0.00543 0.00203 -0.00925 -0.00083 24 3PZ -0.01185 0.00992 -0.01136 0.00920 0.00184 25 4XX 0.00376 -0.00325 0.00037 -0.00387 0.00009 26 4YY -0.00235 -0.00055 0.00162 0.00060 -0.00032 27 4ZZ 0.00711 0.00492 0.00030 0.00317 0.00011 28 4XY -0.02575 -0.00283 0.00054 0.00784 0.00010 29 4XZ -0.00528 -0.00031 0.00143 -0.00039 -0.00015 30 4YZ 0.02278 0.00801 -0.00035 0.00001 -0.00024 31 3 C 1S 0.01931 0.00477 -0.01191 -0.00457 -0.00098 32 2S -0.05458 -0.01758 0.01191 0.01405 0.00181 33 2PX 0.09787 0.02095 -0.04395 -0.02860 -0.00202 34 2PY 0.03265 0.00860 -0.01318 -0.00334 -0.00167 35 2PZ -0.07732 -0.03299 0.02963 0.01429 0.00467 36 3S -0.17210 -0.04194 0.00174 0.02884 0.00308 37 3PX 0.05658 0.01637 -0.02664 -0.01680 -0.00085 38 3PY -0.01140 0.01342 -0.01917 -0.00857 -0.00058 39 3PZ -0.03587 -0.01164 0.01170 0.00902 0.00232 40 4XX 0.00075 -0.00034 0.00041 -0.00214 -0.00001 41 4YY 0.00033 -0.00136 -0.00019 0.00099 -0.00009 42 4ZZ 0.00342 0.00277 -0.00147 -0.00002 0.00001 43 4XY -0.00278 -0.00173 0.00126 0.00086 0.00012 44 4XZ 0.00019 -0.00153 -0.00018 0.00006 -0.00013 45 4YZ 0.00350 0.00150 -0.00118 -0.00143 -0.00019 46 4 C 1S 0.00738 0.00585 0.00322 -0.00399 -0.00009 47 2S 0.00195 -0.00774 0.00209 0.00465 -0.00012 48 2PX 0.02769 -0.00242 -0.00111 -0.02021 0.00037 49 2PY 0.00406 0.00358 0.00646 -0.00712 0.00056 50 2PZ -0.00505 -0.00744 -0.00314 -0.01065 0.00047 51 3S 0.07255 -0.00750 0.02783 0.00732 -0.00019 52 3PX 0.01492 -0.00268 -0.00009 -0.01003 0.00024 53 3PY -0.03659 -0.00252 -0.00496 -0.00370 0.00040 54 3PZ 0.00151 0.00312 -0.00251 -0.00187 0.00045 55 4XX -0.00151 -0.00076 -0.00051 -0.00086 -0.00001 56 4YY -0.00019 -0.00028 0.00020 0.00002 0.00001 57 4ZZ 0.00022 0.00067 0.00015 0.00072 0.00004 58 4XY -0.00280 -0.00086 0.00169 0.00050 0.00003 59 4XZ 0.00063 -0.00045 0.00073 -0.00052 -0.00005 60 4YZ 0.00224 0.00082 -0.00114 -0.00101 -0.00012 61 5 C 1S -0.01298 -0.00401 0.00090 0.00235 -0.00049 62 2S 0.00080 0.00087 -0.01257 0.00195 0.00125 63 2PX 0.01149 0.00952 0.00286 -0.00177 -0.00061 64 2PY 0.08034 0.00799 0.04137 -0.00449 -0.00039 65 2PZ 0.00516 0.00070 0.00354 0.00200 0.00126 66 3S -0.00808 -0.01275 -0.01810 0.00615 0.00136 67 3PX 0.01309 0.00865 -0.00112 -0.00868 -0.00044 68 3PY -0.01165 0.00318 -0.00779 0.00157 0.00084 69 3PZ 0.00007 -0.00738 0.00613 0.00154 0.00059 70 4XX -0.00361 -0.00359 -0.00155 -0.00419 -0.00001 71 4YY 0.00445 0.00003 0.00325 0.00052 -0.00025 72 4ZZ -0.00407 0.00314 -0.00186 0.00417 0.00010 73 4XY -0.00653 -0.00326 -0.00437 -0.00551 -0.00013 74 4XZ 0.00244 -0.00035 0.00109 -0.00045 -0.00003 75 4YZ 0.00554 -0.00485 0.00458 -0.00417 -0.00005 76 6 C 1S 0.02187 0.00622 -0.00219 -0.00425 0.00284 77 2S -0.01277 -0.00555 0.01743 0.00201 -0.00652 78 2PX 0.00810 0.09215 -0.01905 0.08957 0.00224 79 2PY -0.13557 0.00806 -0.09062 -0.01566 0.01032 80 2PZ -0.00310 0.09343 0.00924 0.12204 0.00181 81 3S -0.16776 -0.00527 -0.03941 0.00221 -0.00469 82 3PX -0.00235 0.05960 -0.01409 0.06303 0.00153 83 3PY 0.03911 0.01039 -0.00541 -0.01099 0.00260 84 3PZ 0.00326 0.06413 0.00793 0.07991 0.00081 85 4XX -0.00468 0.00057 -0.00264 0.00061 0.00041 86 4YY 0.01071 0.00029 0.00220 0.00025 -0.00027 87 4ZZ -0.00408 -0.00069 -0.00227 -0.00080 0.00032 88 4XY 0.00087 -0.00727 0.00075 -0.00176 0.00000 89 4XZ 0.00386 -0.00007 0.00172 0.00001 -0.00006 90 4YZ -0.00053 -0.00166 -0.00018 -0.00784 -0.00020 91 7 H 1S 0.11398 -0.06415 -0.03173 0.05395 0.00298 92 2S 0.00567 -0.05509 -0.01998 0.04457 0.00382 93 8 H 1S 0.03357 0.01912 -0.01758 -0.00876 -0.00155 94 2S 0.06687 0.03670 -0.01665 -0.01319 -0.00148 95 9 H 1S 0.00167 -0.00016 0.00647 0.00451 0.00036 96 2S -0.01960 0.00404 -0.00080 0.01109 0.00090 97 10 H 1S -0.04859 0.00756 -0.01713 -0.00689 0.00065 98 2S -0.01936 0.01545 -0.01588 -0.01230 0.00145 99 11 O 1S 0.00429 -0.00585 -0.00015 0.00417 -0.00017 100 2S -0.02200 0.00580 -0.00667 -0.00292 0.00026 101 2PX 0.20818 0.01143 0.02274 -0.02973 0.00355 102 2PY -0.13111 -0.06341 -0.03107 0.05507 -0.00290 103 2PZ -0.21943 -0.05086 -0.03122 0.00314 0.00227 104 3S 0.00799 0.02635 0.00921 -0.02072 -0.00032 105 3PX 0.15797 0.00958 0.01258 -0.02951 0.00206 106 3PY -0.07297 -0.03307 -0.01333 0.03044 -0.00192 107 3PZ -0.16013 -0.04181 -0.01657 -0.00025 0.00126 108 4XX 0.00237 -0.00021 0.00081 -0.00037 0.00009 109 4YY -0.00821 -0.00389 -0.00296 0.00309 -0.00010 110 4ZZ 0.00074 0.00070 0.00023 0.00037 0.00005 111 4XY 0.00445 -0.00096 0.00242 0.00102 0.00029 112 4XZ -0.00102 0.00002 0.00003 -0.00019 0.00000 113 4YZ -0.00691 -0.00037 -0.00324 -0.00015 0.00017 114 12 O 1S -0.00225 0.00269 -0.00303 -0.00263 0.00018 115 2S 0.01431 -0.00378 0.00925 0.00555 -0.00023 116 2PX -0.09643 -0.02924 -0.07222 -0.05547 0.00053 117 2PY -0.08439 -0.01375 -0.03673 0.00039 0.00017 118 2PZ 0.10134 -0.04549 0.07809 -0.04039 -0.00141 119 3S 0.00491 -0.00577 0.01228 0.00213 -0.00146 120 3PX -0.07134 -0.02439 -0.05173 -0.04021 0.00043 121 3PY -0.04737 -0.00911 -0.02246 0.00094 0.00041 122 3PZ 0.07115 -0.03310 0.05500 -0.03103 -0.00122 123 4XX -0.00182 -0.00051 -0.00105 -0.00029 0.00004 124 4YY 0.00463 0.00093 0.00144 0.00013 0.00008 125 4ZZ -0.00119 0.00013 -0.00055 0.00071 0.00004 126 4XY 0.00329 0.00111 0.00263 0.00249 0.00001 127 4XZ 0.00050 -0.00024 0.00034 -0.00015 -0.00003 128 4YZ -0.00439 0.00195 -0.00330 0.00186 0.00002 129 13 C 1S 0.00252 0.00017 -0.00071 -0.00143 0.00001 130 2S -0.00520 0.00070 0.00177 0.00434 -0.00006 131 2PX 0.00644 -0.00494 -0.00092 -0.00858 0.00036 132 2PY -0.00006 -0.00309 0.00249 -0.00297 -0.00032 133 2PZ 0.00543 0.00390 0.00112 -0.00290 -0.00006 134 3S -0.00197 0.00046 0.00036 -0.00098 0.00034 135 3PX -0.00121 -0.00551 0.00266 -0.00334 0.00008 136 3PY -0.00217 -0.00196 -0.00125 -0.00344 -0.00037 137 3PZ 0.00506 0.00296 -0.00140 -0.00430 0.00016 138 4XX 0.00143 -0.00037 -0.00028 -0.00139 0.00003 139 4YY -0.00072 0.00035 0.00037 0.00066 -0.00002 140 4ZZ -0.00091 0.00020 0.00003 0.00103 0.00001 141 4XY 0.00055 0.00028 -0.00037 0.00015 0.00001 142 4XZ 0.00075 -0.00018 -0.00023 -0.00057 0.00001 143 4YZ 0.00017 0.00000 -0.00031 0.00000 -0.00001 144 14 H 1S 0.00731 -0.00319 -0.00098 -0.00854 0.00020 145 2S 0.01269 -0.00375 -0.00376 -0.01295 0.00017 146 15 H 1S -0.00548 -0.00100 -0.00042 0.00493 0.00003 147 2S -0.00422 0.00122 -0.00178 0.00485 0.00011 148 16 C 1S -0.00072 0.00049 -0.00147 0.00073 0.00024 149 2S 0.00413 0.00292 0.00257 -0.00108 -0.00027 150 2PX -0.01674 0.00946 0.00533 0.01598 -0.00052 151 2PY 0.00968 0.00262 -0.00590 -0.00134 0.00042 152 2PZ 0.00269 0.00178 0.00682 0.00024 -0.00034 153 3S -0.00664 -0.01578 0.01102 -0.00521 -0.00100 154 3PX -0.02204 0.01207 0.00008 0.01873 -0.00026 155 3PY 0.01715 -0.00262 0.00291 -0.00417 -0.00013 156 3PZ -0.00089 -0.00087 0.00793 0.00500 0.00002 157 4XX -0.00097 -0.00025 -0.00022 0.00027 0.00014 158 4YY -0.00041 0.00045 0.00017 0.00035 -0.00006 159 4ZZ 0.00139 0.00067 -0.00069 -0.00009 -0.00003 160 4XY -0.00014 0.00039 -0.00003 0.00050 0.00001 161 4XZ -0.00003 -0.00023 -0.00055 -0.00032 0.00003 162 4YZ 0.00014 -0.00001 0.00035 -0.00011 -0.00001 163 17 H 1S -0.00540 0.00008 0.00481 0.00178 -0.00044 164 2S 0.01991 0.00266 0.00611 -0.00513 -0.00024 165 18 C 1S -0.00181 0.00051 0.00059 0.00110 -0.00037 166 2S 0.00568 -0.00389 0.00183 -0.00594 -0.00006 167 2PX -0.00941 -0.00315 -0.00124 0.00250 -0.00011 168 2PY -0.00124 -0.00162 -0.00291 -0.00084 0.00025 169 2PZ -0.01556 -0.00486 -0.00255 0.00364 0.00023 170 3S 0.00333 0.00921 -0.00586 0.00054 0.00031 171 3PX -0.00710 -0.00599 -0.00244 -0.00329 0.00000 172 3PY -0.00288 0.00140 -0.00068 0.00465 0.00030 173 3PZ -0.00289 -0.00854 0.00361 -0.00308 -0.00019 174 4XX 0.00013 0.00078 -0.00006 0.00083 0.00001 175 4YY -0.00041 -0.00064 -0.00008 -0.00049 -0.00003 176 4ZZ 0.00021 -0.00061 -0.00011 -0.00099 -0.00002 177 4XY -0.00017 -0.00019 -0.00045 0.00012 0.00004 178 4XZ 0.00001 -0.00023 -0.00016 -0.00017 0.00005 179 4YZ 0.00041 -0.00005 0.00012 -0.00022 -0.00001 180 19 H 1S -0.00285 -0.00217 0.00013 -0.00033 0.00004 181 2S -0.00713 0.00169 -0.00247 0.00594 0.00036 182 20 C 1S 0.00194 0.00042 0.00014 -0.00010 0.00013 183 2S -0.00672 0.00092 0.00015 0.00323 -0.00013 184 2PX -0.00122 0.00848 -0.00277 0.01465 -0.00025 185 2PY 0.00335 0.00227 -0.00373 0.00188 0.00016 186 2PZ -0.00433 0.00383 -0.00730 0.00933 0.00020 187 3S -0.01236 -0.00762 0.00483 -0.00206 -0.00066 188 3PX 0.00928 0.01423 0.00130 0.01938 0.00010 189 3PY 0.01333 0.00515 0.00222 0.00045 0.00017 190 3PZ -0.00002 0.00315 -0.00753 0.00532 -0.00007 191 4XX 0.00100 -0.00006 0.00028 -0.00070 0.00003 192 4YY 0.00007 0.00066 -0.00004 0.00066 0.00001 193 4ZZ -0.00024 0.00017 -0.00022 0.00052 0.00003 194 4XY 0.00046 -0.00008 -0.00015 -0.00022 0.00000 195 4XZ 0.00072 -0.00012 -0.00013 -0.00044 0.00003 196 4YZ 0.00022 -0.00009 0.00024 -0.00012 -0.00001 197 21 H 1S -0.00077 0.00254 -0.00208 0.00341 -0.00002 198 2S -0.01113 -0.00210 -0.00998 -0.00086 0.00004 199 22 C 1S 0.00159 0.00199 0.00098 0.00023 -0.00004 200 2S -0.00466 -0.00594 -0.00248 -0.00350 0.00002 201 2PX -0.00556 -0.00108 -0.00686 0.00681 0.00030 202 2PY -0.00200 0.00077 0.00025 0.00138 -0.00021 203 2PZ 0.00444 -0.00417 0.00152 -0.00506 -0.00007 204 3S -0.00133 0.00091 0.00060 0.00398 0.00026 205 3PX -0.00157 -0.00498 -0.00314 -0.00179 0.00023 206 3PY -0.00271 -0.00212 -0.00071 -0.00127 0.00009 207 3PZ -0.00200 -0.00427 -0.00345 -0.00444 -0.00001 208 4XX 0.00021 0.00078 0.00002 0.00073 0.00000 209 4YY 0.00043 -0.00038 0.00008 -0.00058 0.00000 210 4ZZ -0.00003 -0.00065 0.00038 -0.00089 -0.00002 211 4XY 0.00045 0.00030 -0.00005 0.00016 0.00000 212 4XZ 0.00034 -0.00008 0.00010 -0.00034 0.00002 213 4YZ 0.00079 -0.00002 0.00026 -0.00047 -0.00003 214 23 H 1S 0.00129 -0.00361 0.00159 -0.00484 -0.00020 215 2S 0.00525 0.00033 0.00371 -0.00213 -0.00022 11 12 13 14 15 11 4YY 0.00076 12 4ZZ -0.00011 0.00067 13 4XY -0.00005 -0.00007 0.00128 14 4XZ 0.00032 -0.00004 -0.00019 0.00066 15 4YZ 0.00004 0.00003 -0.00054 0.00017 0.00111 16 2 C 1S -0.00014 -0.00147 0.00412 0.00314 -0.00373 17 2S -0.00123 0.00204 -0.00794 -0.00630 0.00710 18 2PX 0.00021 -0.00114 0.00516 0.00156 -0.00744 19 2PY -0.00915 0.00120 -0.00202 -0.00698 0.00156 20 2PZ -0.00005 -0.00583 -0.00763 -0.00054 0.00301 21 3S -0.00215 0.00173 -0.00862 -0.00410 0.00667 22 3PX 0.00037 -0.00181 0.00005 0.00057 -0.00201 23 3PY 0.00087 -0.00052 -0.00327 -0.00062 0.00241 24 3PZ 0.00047 -0.00220 -0.00265 0.00024 -0.00008 25 4XX -0.00030 0.00005 0.00025 -0.00020 -0.00057 26 4YY 0.00052 -0.00022 -0.00006 0.00044 0.00000 27 4ZZ -0.00036 -0.00004 0.00055 -0.00009 -0.00007 28 4XY 0.00029 0.00032 0.00060 0.00018 0.00028 29 4XZ 0.00020 0.00002 -0.00004 0.00043 0.00006 30 4YZ -0.00023 -0.00005 0.00019 -0.00015 0.00064 31 3 C 1S 0.00027 -0.00054 -0.00056 0.00067 0.00059 32 2S -0.00035 0.00098 0.00107 -0.00118 -0.00113 33 2PX 0.00304 -0.00401 -0.00215 0.00385 0.00051 34 2PY 0.00026 -0.00051 -0.00029 0.00098 0.00072 35 2PZ -0.00131 0.00032 0.00061 -0.00230 -0.00191 36 3S 0.00012 0.00169 0.00519 -0.00132 -0.00380 37 3PX 0.00177 -0.00246 -0.00260 0.00178 0.00147 38 3PY -0.00033 0.00002 -0.00047 0.00026 0.00088 39 3PZ -0.00076 0.00022 0.00183 -0.00099 -0.00104 40 4XX -0.00012 0.00015 -0.00015 -0.00016 0.00012 41 4YY 0.00015 -0.00004 0.00005 0.00013 -0.00007 42 4ZZ 0.00004 -0.00016 -0.00017 0.00009 0.00014 43 4XY 0.00001 0.00013 0.00012 -0.00014 -0.00003 44 4XZ 0.00013 -0.00006 0.00011 0.00021 -0.00011 45 4YZ 0.00004 -0.00003 -0.00002 0.00008 0.00014 46 4 C 1S 0.00006 -0.00014 0.00047 -0.00015 -0.00042 47 2S 0.00012 -0.00003 -0.00111 0.00019 0.00097 48 2PX 0.00105 -0.00072 0.00127 0.00001 -0.00112 49 2PY -0.00053 -0.00005 -0.00211 -0.00035 0.00148 50 2PZ 0.00023 -0.00031 -0.00156 -0.00032 0.00133 51 3S -0.00019 -0.00053 -0.00481 0.00034 0.00357 52 3PX 0.00088 -0.00030 0.00194 -0.00026 -0.00118 53 3PY -0.00005 0.00008 -0.00126 -0.00032 0.00110 54 3PZ 0.00012 -0.00032 -0.00129 -0.00015 0.00141 55 4XX 0.00001 0.00006 0.00002 -0.00004 -0.00017 56 4YY -0.00002 0.00001 -0.00005 0.00000 0.00003 57 4ZZ 0.00002 -0.00001 0.00017 0.00000 0.00000 58 4XY -0.00006 0.00011 0.00015 -0.00011 -0.00008 59 4XZ -0.00001 0.00001 -0.00011 0.00002 0.00004 60 4YZ 0.00001 0.00001 -0.00008 0.00005 0.00011 61 5 C 1S -0.00035 -0.00033 -0.00174 0.00007 0.00152 62 2S 0.00071 0.00087 0.00355 -0.00031 -0.00303 63 2PX -0.00145 -0.00085 -0.00421 0.00063 0.00631 64 2PY -0.00176 0.00001 -0.00420 0.00073 0.00376 65 2PZ 0.00136 0.00014 0.00638 -0.00067 -0.00202 66 3S 0.00020 0.00132 0.00525 -0.00085 -0.00454 67 3PX -0.00001 -0.00047 -0.00031 0.00047 0.00147 68 3PY -0.00063 0.00061 -0.00226 0.00003 0.00191 69 3PZ 0.00011 0.00009 0.00154 -0.00044 -0.00002 70 4XX 0.00011 0.00005 -0.00034 -0.00005 -0.00015 71 4YY 0.00006 -0.00019 -0.00005 0.00013 0.00010 72 4ZZ 0.00001 0.00000 0.00015 -0.00001 0.00030 73 4XY 0.00020 -0.00001 0.00030 0.00001 -0.00061 74 4XZ -0.00014 0.00000 -0.00003 0.00001 -0.00003 75 4YZ -0.00018 0.00012 -0.00058 -0.00003 0.00007 76 6 C 1S -0.00582 0.00261 -0.00025 -0.00087 -0.00001 77 2S 0.01025 -0.00599 0.00068 0.00197 -0.00014 78 2PX -0.00063 -0.00135 0.01406 -0.00014 -0.00059 79 2PY -0.00538 0.00962 -0.00232 -0.00293 0.00111 80 2PZ -0.00009 -0.00130 -0.00076 0.00075 0.01394 81 3S 0.01070 -0.00404 0.00029 0.00385 0.00010 82 3PX -0.00061 -0.00058 0.00717 -0.00010 0.00158 83 3PY -0.00219 0.00228 -0.00004 -0.00170 -0.00009 84 3PZ 0.00014 -0.00091 0.00169 0.00051 0.00781 85 4XX -0.00026 0.00033 0.00002 -0.00006 0.00010 86 4YY 0.00009 -0.00032 -0.00002 -0.00015 0.00006 87 4ZZ -0.00031 0.00037 -0.00014 -0.00006 -0.00006 88 4XY -0.00003 0.00010 0.00065 -0.00014 -0.00097 89 4XZ -0.00016 -0.00006 0.00007 0.00003 -0.00005 90 4YZ 0.00006 0.00006 -0.00097 0.00007 0.00032 91 7 H 1S -0.00311 0.00016 0.01046 -0.00833 -0.00891 92 2S -0.00290 0.00195 0.00945 -0.00537 -0.00805 93 8 H 1S 0.00084 -0.00062 -0.00083 0.00105 0.00103 94 2S -0.00016 -0.00071 -0.00131 0.00075 0.00222 95 9 H 1S -0.00008 0.00005 0.00078 -0.00009 -0.00051 96 2S -0.00017 0.00015 0.00228 -0.00032 -0.00121 97 10 H 1S 0.00192 0.00105 -0.00767 0.00017 0.00643 98 2S -0.00072 0.00169 -0.00782 -0.00028 0.00634 99 11 O 1S -0.00119 -0.00018 0.00029 -0.00006 -0.00035 100 2S 0.00224 0.00049 -0.00038 0.00059 0.00065 101 2PX -0.00315 -0.00269 -0.00423 -0.00031 -0.00624 102 2PY 0.00845 0.00017 -0.00315 0.00321 0.00485 103 2PZ 0.00480 -0.00457 -0.00631 0.00175 -0.00471 104 3S 0.00152 -0.00068 0.00009 0.00045 -0.00044 105 3PX -0.00250 -0.00167 -0.00337 -0.00050 -0.00405 106 3PY 0.00477 -0.00023 -0.00150 0.00195 0.00257 107 3PZ 0.00334 -0.00269 -0.00390 0.00127 -0.00367 108 4XX -0.00017 0.00001 0.00010 0.00000 -0.00020 109 4YY 0.00042 0.00013 -0.00032 0.00005 0.00047 110 4ZZ -0.00013 0.00001 0.00012 0.00001 -0.00007 111 4XY -0.00005 -0.00016 -0.00008 0.00004 -0.00044 112 4XZ 0.00006 -0.00006 -0.00009 0.00005 -0.00001 113 4YZ 0.00020 -0.00035 -0.00050 0.00007 -0.00013 114 12 O 1S 0.00024 0.00014 -0.00002 -0.00010 -0.00001 115 2S -0.00037 -0.00017 -0.00014 0.00032 0.00026 116 2PX -0.00039 0.00120 0.00159 -0.00018 -0.00323 117 2PY 0.00083 -0.00010 0.00141 -0.00070 -0.00149 118 2PZ 0.00020 -0.00057 -0.00307 0.00016 0.00046 119 3S 0.00037 -0.00128 0.00081 0.00040 -0.00055 120 3PX -0.00021 0.00100 0.00137 -0.00026 -0.00299 121 3PY 0.00029 0.00025 0.00067 -0.00045 -0.00080 122 3PZ 0.00007 -0.00041 -0.00281 0.00023 0.00034 123 4XX -0.00001 0.00004 -0.00007 -0.00001 0.00001 124 4YY -0.00008 0.00008 -0.00005 0.00002 0.00005 125 4ZZ -0.00001 0.00003 -0.00001 0.00000 0.00006 126 4XY 0.00004 -0.00002 0.00005 -0.00001 -0.00004 127 4XZ 0.00001 -0.00002 0.00002 0.00001 -0.00003 128 4YZ -0.00003 0.00000 -0.00004 0.00001 0.00004 129 13 C 1S 0.00017 -0.00008 0.00000 0.00001 0.00004 130 2S -0.00038 0.00014 0.00002 -0.00004 0.00008 131 2PX 0.00036 -0.00052 -0.00020 0.00039 -0.00019 132 2PY 0.00021 0.00001 0.00010 0.00022 0.00017 133 2PZ -0.00021 -0.00027 -0.00010 0.00022 -0.00010 134 3S -0.00086 0.00005 -0.00014 -0.00042 -0.00087 135 3PX 0.00013 -0.00017 -0.00020 0.00036 -0.00004 136 3PY 0.00022 0.00007 0.00013 0.00017 0.00037 137 3PZ -0.00006 -0.00028 -0.00019 -0.00008 -0.00030 138 4XX 0.00003 -0.00008 -0.00004 0.00007 -0.00003 139 4YY -0.00003 0.00002 0.00002 -0.00001 0.00002 140 4ZZ 0.00002 0.00004 0.00004 -0.00005 0.00005 141 4XY 0.00001 -0.00004 -0.00003 0.00003 0.00002 142 4XZ 0.00003 -0.00005 -0.00002 0.00004 -0.00001 143 4YZ 0.00000 -0.00003 -0.00003 0.00004 0.00002 144 14 H 1S 0.00012 -0.00047 -0.00027 0.00038 -0.00026 145 2S 0.00039 -0.00058 -0.00034 0.00041 -0.00029 146 15 H 1S 0.00004 0.00026 0.00015 -0.00025 0.00015 147 2S 0.00022 0.00020 0.00015 -0.00039 0.00021 148 16 C 1S 0.00002 0.00016 -0.00004 -0.00014 -0.00009 149 2S 0.00005 0.00010 0.00013 0.00013 0.00035 150 2PX -0.00052 0.00119 0.00099 -0.00138 0.00035 151 2PY -0.00008 -0.00029 -0.00049 0.00013 -0.00024 152 2PZ 0.00025 0.00093 0.00066 -0.00070 0.00027 153 3S 0.00070 0.00038 -0.00013 0.00066 0.00010 154 3PX -0.00017 0.00081 0.00134 -0.00080 0.00108 155 3PY -0.00013 0.00011 -0.00037 0.00015 0.00002 156 3PZ 0.00009 0.00052 0.00066 -0.00061 -0.00024 157 4XX -0.00002 -0.00008 -0.00003 0.00002 -0.00005 158 4YY -0.00005 0.00004 0.00004 -0.00002 0.00006 159 4ZZ 0.00005 0.00000 0.00000 0.00000 0.00006 160 4XY -0.00002 0.00001 -0.00001 -0.00003 0.00000 161 4XZ 0.00008 -0.00005 -0.00001 -0.00001 -0.00002 162 4YZ 0.00001 0.00002 0.00001 -0.00002 0.00001 163 17 H 1S -0.00008 0.00029 0.00037 -0.00008 0.00030 164 2S -0.00065 0.00026 -0.00010 -0.00031 -0.00013 165 18 C 1S -0.00014 -0.00029 0.00004 -0.00018 0.00012 166 2S 0.00002 0.00031 -0.00018 0.00035 -0.00023 167 2PX 0.00148 0.00048 0.00043 -0.00160 0.00028 168 2PY -0.00003 -0.00020 -0.00010 -0.00013 -0.00001 169 2PZ 0.00003 -0.00014 -0.00011 -0.00011 -0.00050 170 3S -0.00032 -0.00001 0.00017 0.00054 0.00052 171 3PX 0.00102 0.00017 -0.00002 -0.00107 -0.00020 172 3PY -0.00016 -0.00023 0.00029 0.00001 -0.00005 173 3PZ 0.00035 0.00025 -0.00003 -0.00026 -0.00029 174 4XX 0.00001 -0.00002 0.00002 -0.00006 0.00004 175 4YY 0.00000 0.00002 -0.00001 -0.00001 -0.00003 176 4ZZ 0.00001 0.00000 -0.00005 0.00003 -0.00004 177 4XY 0.00004 -0.00003 -0.00005 -0.00001 0.00000 178 4XZ 0.00002 -0.00006 -0.00003 0.00002 0.00000 179 4YZ 0.00005 0.00000 -0.00001 -0.00003 0.00004 180 19 H 1S -0.00031 0.00004 -0.00016 0.00047 -0.00040 181 2S -0.00033 -0.00029 0.00001 0.00027 -0.00046 182 20 C 1S 0.00003 -0.00008 0.00007 0.00003 0.00004 183 2S -0.00021 0.00025 0.00014 -0.00009 -0.00013 184 2PX 0.00010 -0.00032 0.00012 0.00033 0.00076 185 2PY 0.00017 -0.00020 -0.00014 0.00014 0.00008 186 2PZ 0.00005 -0.00026 -0.00006 0.00027 0.00013 187 3S -0.00020 0.00028 -0.00075 0.00022 -0.00029 188 3PX 0.00000 -0.00041 0.00037 0.00034 0.00120 189 3PY -0.00008 -0.00015 -0.00009 -0.00020 0.00016 190 3PZ 0.00010 -0.00035 -0.00014 0.00042 0.00045 191 4XX -0.00001 -0.00003 0.00000 0.00001 0.00003 192 4YY -0.00003 0.00001 0.00003 0.00000 0.00000 193 4ZZ 0.00004 -0.00001 0.00004 -0.00003 0.00000 194 4XY 0.00001 -0.00001 -0.00001 0.00002 -0.00002 195 4XZ 0.00006 -0.00003 -0.00003 -0.00003 0.00002 196 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 197 21 H 1S -0.00003 -0.00001 0.00001 0.00009 0.00004 198 2S 0.00005 0.00005 0.00031 0.00017 -0.00047 199 22 C 1S 0.00000 -0.00004 -0.00001 -0.00003 0.00004 200 2S -0.00004 0.00008 -0.00023 0.00009 -0.00038 201 2PX 0.00132 -0.00036 -0.00033 -0.00077 0.00043 202 2PY -0.00006 0.00003 -0.00001 0.00003 -0.00004 203 2PZ 0.00051 -0.00022 -0.00043 -0.00022 0.00020 204 3S 0.00015 0.00018 0.00030 -0.00031 0.00009 205 3PX 0.00098 -0.00030 -0.00052 -0.00054 0.00001 206 3PY -0.00014 0.00002 0.00002 0.00008 -0.00036 207 3PZ 0.00033 -0.00031 -0.00053 0.00000 -0.00017 208 4XX 0.00001 -0.00003 0.00005 0.00000 0.00004 209 4YY 0.00001 0.00001 -0.00003 0.00001 -0.00004 210 4ZZ -0.00002 0.00002 -0.00004 -0.00002 -0.00006 211 4XY -0.00005 -0.00003 -0.00002 0.00007 0.00000 212 4XZ 0.00001 -0.00001 0.00001 0.00000 0.00000 213 4YZ -0.00001 0.00001 -0.00001 0.00001 0.00002 214 23 H 1S -0.00002 0.00006 -0.00023 0.00003 -0.00012 215 2S -0.00001 0.00011 -0.00004 -0.00007 0.00034 16 17 18 19 20 16 2 C 1S 2.05436 17 2S -0.07122 0.35901 18 2PX -0.00073 0.00360 0.36552 19 2PY -0.00268 0.00691 0.01167 0.42987 20 2PZ 0.00144 -0.00470 -0.07343 0.00617 0.33756 21 3S -0.14912 0.25199 0.00128 0.05321 0.01444 22 3PX -0.00802 0.00857 0.08990 -0.01857 0.04657 23 3PY -0.06133 0.08301 -0.00758 -0.00641 0.00799 24 3PZ -0.00316 0.00389 0.04161 -0.00457 0.11350 25 4XX -0.01222 -0.01284 0.00168 0.01596 -0.00157 26 4YY -0.01521 -0.00353 -0.00126 -0.01756 0.00147 27 4ZZ -0.01110 -0.01512 0.00042 0.01397 0.00130 28 4XY -0.00033 0.00148 0.00316 -0.00344 -0.01472 29 4XZ 0.00267 -0.00580 -0.00183 -0.00754 -0.00152 30 4YZ -0.00025 0.00053 -0.01476 0.00103 -0.00212 31 3 C 1S 0.01403 -0.02976 -0.05205 -0.03133 0.03550 32 2S -0.02937 0.05365 0.10417 0.05419 -0.06975 33 2PX 0.05296 -0.11245 -0.12096 -0.11455 0.16244 34 2PY 0.03367 -0.07529 -0.11569 -0.05593 0.07100 35 2PZ -0.03867 0.08341 0.15563 0.07431 -0.03898 36 3S 0.01946 0.00025 0.14935 0.11293 -0.10809 37 3PX 0.00372 -0.02233 -0.06012 -0.06149 0.09763 38 3PY 0.01649 -0.02740 -0.06062 0.01573 0.03691 39 3PZ 0.00240 0.00961 0.06467 0.05289 -0.02626 40 4XX -0.00301 0.00534 -0.00265 0.00417 -0.00393 41 4YY 0.00076 -0.00281 -0.00230 -0.00955 0.00154 42 4ZZ -0.00017 -0.00084 -0.00147 -0.00110 0.00730 43 4XY -0.00407 0.00806 0.00595 -0.00025 -0.00729 44 4XZ 0.00364 -0.00756 -0.00445 -0.00704 0.00123 45 4YZ 0.00283 -0.00545 -0.00739 0.00016 0.00107 46 4 C 1S -0.00309 0.00806 0.00807 0.00840 -0.00762 47 2S 0.00678 -0.01615 -0.01933 -0.02163 0.01603 48 2PX -0.00334 0.01513 0.01312 0.00860 0.00086 49 2PY -0.01378 0.03559 0.03279 0.03586 -0.01106 50 2PZ 0.00287 -0.00441 -0.01263 -0.00603 0.01262 51 3S -0.00801 -0.00427 -0.02787 -0.06083 0.03865 52 3PX -0.00093 0.01118 0.01492 0.00379 -0.01417 53 3PY -0.00217 0.01441 0.01446 0.04251 -0.00487 54 3PZ -0.00214 0.00233 -0.00644 -0.00010 0.01462 55 4XX -0.00033 0.00085 0.00028 0.00027 -0.00128 56 4YY -0.00048 0.00073 0.00137 0.00095 -0.00092 57 4ZZ -0.00057 0.00140 0.00148 0.00013 -0.00092 58 4XY -0.00151 0.00317 0.00377 0.00390 -0.00536 59 4XZ -0.00011 0.00026 -0.00045 -0.00007 -0.00097 60 4YZ 0.00120 -0.00249 -0.00541 -0.00227 0.00132 61 5 C 1S -0.00385 0.00606 -0.00076 0.00843 0.00006 62 2S 0.00606 -0.01326 0.00069 -0.02146 0.00289 63 2PX -0.00138 0.00236 -0.02535 0.00499 0.01630 64 2PY -0.00837 0.02145 -0.00141 0.02707 -0.00082 65 2PZ 0.00005 0.00293 0.01668 -0.00031 -0.02254 66 3S 0.01761 -0.02406 0.00702 -0.03373 -0.01900 67 3PX -0.00116 0.00234 -0.00909 0.00012 0.00294 68 3PY -0.01497 0.01872 -0.00721 -0.00775 0.01193 69 3PZ 0.00169 -0.00077 0.00571 0.00306 -0.00656 70 4XX -0.00052 0.00082 -0.00027 0.00017 0.00001 71 4YY -0.00047 -0.00015 -0.00064 -0.00174 -0.00028 72 4ZZ -0.00056 0.00051 0.00061 -0.00017 0.00039 73 4XY 0.00013 -0.00030 0.00130 -0.00020 -0.00246 74 4XZ -0.00012 -0.00009 -0.00049 -0.00016 -0.00029 75 4YZ -0.00009 -0.00020 -0.00239 0.00029 0.00030 76 6 C 1S -0.00351 0.00917 -0.00796 0.01044 0.00682 77 2S 0.00761 -0.01835 0.01930 -0.02602 -0.01654 78 2PX 0.00354 -0.00673 0.02237 -0.00952 0.00507 79 2PY -0.01396 0.03824 -0.02365 0.04072 0.02347 80 2PZ -0.00371 0.01029 0.00514 0.00711 0.02134 81 3S -0.01277 0.00052 0.00644 -0.08012 0.00542 82 3PX -0.00395 0.00152 0.00914 -0.00594 0.00095 83 3PY -0.00074 0.01253 -0.00086 0.04136 -0.00374 84 3PZ 0.00230 0.00206 -0.00114 0.00412 0.00248 85 4XX -0.00031 0.00088 -0.00016 -0.00004 0.00056 86 4YY -0.00055 0.00112 -0.00180 0.00237 0.00204 87 4ZZ -0.00032 0.00084 -0.00081 0.00000 0.00014 88 4XY 0.00174 -0.00358 0.00385 -0.00434 -0.00631 89 4XZ -0.00003 -0.00010 0.00020 -0.00050 -0.00052 90 4YZ -0.00152 0.00305 -0.00608 0.00421 0.00199 91 7 H 1S 0.01121 -0.02447 0.03592 -0.01615 -0.03146 92 2S 0.02044 -0.03615 0.07077 0.00677 -0.06190 93 8 H 1S 0.00995 -0.02313 -0.03849 -0.01117 0.01969 94 2S 0.01647 -0.03305 -0.06796 0.00619 0.04009 95 9 H 1S -0.00629 0.01484 0.02538 0.01424 -0.01073 96 2S -0.00793 0.01734 0.03927 0.02164 -0.01861 97 10 H 1S -0.00880 0.01997 -0.02445 0.02346 0.02227 98 2S -0.01134 0.02291 -0.04047 0.03489 0.03841 99 11 O 1S 0.01246 -0.01456 0.00456 0.05020 0.00147 100 2S -0.02171 0.02543 -0.01130 -0.11390 -0.00544 101 2PX -0.01104 0.02039 0.17426 -0.05881 0.11642 102 2PY -0.10307 0.22077 -0.05961 -0.38931 -0.03029 103 2PZ -0.00441 0.00989 0.12057 -0.02616 0.22569 104 3S -0.01325 -0.03310 0.00351 -0.02837 0.00850 105 3PX -0.00535 0.00904 0.09576 -0.03053 0.08347 106 3PY -0.05755 0.11226 -0.03008 -0.20238 -0.01662 107 3PZ -0.00218 0.00544 0.08639 -0.01559 0.13029 108 4XX 0.00409 -0.00513 0.00313 0.00501 0.00012 109 4YY -0.00917 0.01964 -0.00561 -0.02219 -0.00299 110 4ZZ 0.00418 -0.00520 0.00041 0.00526 0.00049 111 4XY -0.00145 0.00284 0.01702 -0.00489 0.00350 112 4XZ -0.00004 0.00021 0.00078 -0.00117 0.00206 113 4YZ -0.00040 0.00075 0.00363 -0.00182 0.01911 114 12 O 1S -0.00033 0.00081 0.00011 -0.00036 0.00018 115 2S -0.00058 0.00005 -0.00105 -0.00248 -0.00015 116 2PX 0.00067 -0.00181 -0.00333 -0.00076 -0.01238 117 2PY 0.00212 -0.00780 0.00115 -0.00883 -0.00027 118 2PZ 0.00007 -0.00274 -0.00984 0.00058 -0.00413 119 3S 0.00923 -0.01311 0.00308 0.01344 -0.00347 120 3PX 0.00089 -0.00219 0.00030 -0.00065 -0.01143 121 3PY -0.00069 -0.00166 0.00008 -0.00942 -0.00052 122 3PZ -0.00024 -0.00216 -0.00945 0.00003 -0.00120 123 4XX -0.00063 0.00062 -0.00028 -0.00119 0.00001 124 4YY -0.00038 0.00065 -0.00011 -0.00017 0.00029 125 4ZZ -0.00057 0.00046 -0.00020 -0.00131 0.00000 126 4XY 0.00000 0.00001 0.00078 -0.00024 0.00024 127 4XZ 0.00014 -0.00030 -0.00005 -0.00020 -0.00019 128 4YZ 0.00006 -0.00006 0.00009 -0.00007 0.00091 129 13 C 1S 0.00079 -0.00183 -0.00209 -0.00174 0.00326 130 2S -0.00273 0.00454 0.00351 0.00327 -0.00939 131 2PX 0.00241 -0.00691 -0.00042 -0.00631 0.01246 132 2PY 0.00196 -0.00693 -0.00746 -0.00393 0.00233 133 2PZ 0.00125 -0.00118 -0.00166 -0.00203 0.00324 134 3S 0.00098 0.00284 0.02673 0.01621 0.00026 135 3PX -0.00132 -0.00109 -0.00062 -0.00750 -0.00204 136 3PY 0.00232 -0.00645 -0.01526 -0.00338 -0.00041 137 3PZ 0.00102 0.00144 0.00969 0.00601 0.01050 138 4XX 0.00055 -0.00109 -0.00072 -0.00086 0.00158 139 4YY -0.00016 0.00030 0.00016 0.00031 -0.00077 140 4ZZ -0.00030 0.00064 0.00063 0.00062 -0.00057 141 4XY 0.00040 -0.00088 -0.00051 -0.00072 0.00151 142 4XZ 0.00012 -0.00048 -0.00047 -0.00085 0.00106 143 4YZ 0.00018 -0.00076 -0.00069 -0.00060 0.00111 144 14 H 1S 0.00177 -0.00469 -0.00169 -0.00469 0.00820 145 2S 0.00367 -0.00726 -0.00833 -0.00643 0.01404 146 15 H 1S -0.00203 0.00312 0.00370 0.00333 -0.00467 147 2S -0.00135 0.00396 0.00645 0.00636 0.00229 148 16 C 1S -0.00177 0.00349 0.00553 0.00276 -0.00034 149 2S 0.00471 -0.00871 -0.01646 -0.00192 0.00213 150 2PX -0.00811 0.02402 0.00716 0.01799 -0.03619 151 2PY 0.00021 0.00011 0.00721 -0.00158 0.00815 152 2PZ -0.00157 0.00490 -0.00690 0.00373 -0.01762 153 3S -0.00440 -0.00264 -0.02635 -0.03203 -0.02271 154 3PX -0.00498 0.01501 -0.00446 0.01438 -0.02694 155 3PY -0.00462 0.00107 -0.00843 -0.01101 -0.00848 156 3PZ -0.00692 0.01193 0.01466 -0.00059 -0.01778 157 4XX -0.00075 0.00118 0.00412 0.00084 0.00143 158 4YY -0.00006 -0.00009 -0.00203 0.00035 -0.00103 159 4ZZ 0.00024 -0.00071 -0.00179 -0.00021 0.00084 160 4XY -0.00037 0.00104 0.00126 0.00069 -0.00046 161 4XZ 0.00014 0.00008 0.00141 0.00017 0.00149 162 4YZ 0.00000 0.00014 -0.00011 0.00012 -0.00046 163 17 H 1S 0.00071 -0.00149 -0.01175 0.00000 -0.00770 164 2S -0.00054 -0.00222 -0.00664 0.00465 -0.00302 165 18 C 1S -0.00190 0.00237 0.00348 0.00121 0.00118 166 2S 0.00109 -0.00482 -0.01133 -0.00597 -0.00647 167 2PX -0.00484 0.01930 0.01576 0.01177 -0.00346 168 2PY -0.00066 0.00313 0.00405 -0.00015 0.00360 169 2PZ -0.00371 0.01035 0.01973 0.00726 -0.00465 170 3S 0.01828 -0.01904 -0.01596 0.01500 0.00889 171 3PX -0.00422 0.01386 0.01427 0.01149 0.00132 172 3PY 0.00239 -0.00168 0.00873 0.00448 0.00209 173 3PZ -0.00894 0.01289 0.00661 -0.00451 -0.01686 174 4XX -0.00113 0.00147 0.00103 0.00057 0.00059 175 4YY -0.00053 0.00020 -0.00069 -0.00006 -0.00088 176 4ZZ 0.00001 -0.00061 -0.00098 -0.00031 0.00031 177 4XY -0.00014 0.00040 0.00116 0.00004 0.00174 178 4XZ -0.00013 0.00002 0.00078 -0.00014 0.00142 179 4YZ -0.00003 0.00010 -0.00030 -0.00007 0.00090 180 19 H 1S 0.00053 -0.00279 0.00007 -0.00077 -0.00551 181 2S 0.00121 -0.00279 0.01214 0.00298 0.00729 182 20 C 1S 0.00066 -0.00108 0.00021 -0.00136 0.00383 183 2S -0.00138 0.00300 0.00321 0.00456 -0.00810 184 2PX 0.00392 -0.01323 -0.00694 -0.01123 0.02216 185 2PY 0.00180 -0.00524 -0.00250 -0.00582 0.01071 186 2PZ 0.00248 -0.00777 0.00050 -0.00621 0.01682 187 3S -0.00058 0.00182 -0.00739 0.00220 -0.01473 188 3PX 0.00217 -0.00907 -0.00419 -0.01023 0.01835 189 3PY 0.00001 0.00040 0.00773 0.00652 0.00743 190 3PZ 0.00515 -0.01232 -0.01187 -0.01101 0.01589 191 4XX 0.00032 -0.00022 -0.00017 0.00006 0.00010 192 4YY 0.00013 -0.00019 0.00012 0.00000 -0.00008 193 4ZZ -0.00012 0.00053 0.00119 0.00060 0.00041 194 4XY 0.00037 -0.00069 -0.00062 -0.00045 0.00055 195 4XZ -0.00011 0.00060 0.00066 0.00038 0.00115 196 4YZ -0.00003 -0.00006 -0.00026 -0.00020 -0.00015 197 21 H 1S 0.00116 -0.00356 -0.00262 -0.00339 0.00358 198 2S 0.00244 -0.00677 -0.00655 -0.00993 0.00345 199 22 C 1S 0.00024 0.00010 -0.00026 0.00040 0.00039 200 2S 0.00072 -0.00046 0.00060 0.00050 -0.00135 201 2PX -0.00242 0.00850 0.01712 0.00421 0.02597 202 2PY -0.00036 -0.00110 0.00101 0.00153 0.00067 203 2PZ -0.00084 0.00309 0.00287 0.00019 0.00889 204 3S -0.01032 0.01240 0.00956 -0.00406 -0.00229 205 3PX -0.00209 0.00732 0.01442 0.00480 0.01853 206 3PY 0.00291 -0.00303 0.00290 0.00475 0.00026 207 3PZ 0.00356 -0.00277 0.00081 0.00170 0.01264 208 4XX 0.00025 -0.00024 0.00016 0.00021 0.00059 209 4YY 0.00022 -0.00018 -0.00020 -0.00025 0.00012 210 4ZZ -0.00005 0.00040 0.00042 0.00086 -0.00098 211 4XY 0.00018 -0.00100 -0.00088 -0.00073 0.00058 212 4XZ -0.00001 0.00014 -0.00002 0.00006 -0.00023 213 4YZ 0.00007 -0.00036 -0.00097 -0.00024 -0.00011 214 23 H 1S -0.00015 -0.00013 -0.00190 0.00010 -0.00178 215 2S -0.00119 0.00137 -0.00373 0.00031 -0.00378 21 22 23 24 25 21 3S 0.22281 22 3PX 0.00985 0.04523 23 3PY 0.05825 0.00473 0.03641 24 3PZ 0.00769 0.02957 0.00286 0.05664 25 4XX -0.00614 -0.00202 -0.00502 -0.00041 0.00213 26 4YY -0.00708 0.00163 0.00293 0.00040 -0.00117 27 4ZZ -0.00737 -0.00057 -0.00483 -0.00013 0.00104 28 4XY -0.00245 -0.00577 -0.00121 -0.00263 0.00030 29 4XZ -0.00410 -0.00040 -0.00042 -0.00103 -0.00023 30 4YZ 0.00091 -0.00244 0.00051 -0.00652 -0.00016 31 3 C 1S 0.01135 0.00805 0.01144 -0.00516 -0.00300 32 2S 0.00931 0.00203 0.00461 0.00237 0.00433 33 2PX -0.09431 0.00128 -0.03164 0.02758 0.00706 34 2PY -0.06271 -0.01182 0.02141 0.00496 -0.00723 35 2PZ 0.06605 0.02104 0.02150 0.01410 0.00657 36 3S -0.04897 -0.01682 -0.03044 0.00393 0.01387 37 3PX -0.01919 0.00658 -0.00406 0.01725 0.00357 38 3PY -0.01825 -0.00813 0.00160 0.00063 -0.00147 39 3PZ 0.00291 -0.00055 -0.00376 0.00124 0.00695 40 4XX 0.00524 -0.00158 0.00109 -0.00236 0.00008 41 4YY -0.00301 0.00053 0.00104 0.00024 -0.00054 42 4ZZ -0.00014 0.00117 -0.00173 0.00239 0.00007 43 4XY 0.00512 0.00072 0.00154 -0.00192 -0.00018 44 4XZ -0.00524 -0.00097 -0.00175 -0.00056 0.00013 45 4YZ -0.00564 -0.00254 -0.00162 -0.00078 0.00023 46 4 C 1S -0.00389 -0.00039 -0.01129 -0.00275 0.00036 47 2S -0.01045 -0.00405 0.01295 0.00686 -0.00117 48 2PX 0.00066 0.00950 -0.00885 -0.00843 0.00446 49 2PY 0.05852 0.00564 -0.01488 -0.00095 0.00466 50 2PZ -0.03537 -0.01972 0.00550 0.01048 0.00233 51 3S 0.01438 -0.00501 0.02933 0.01950 -0.00322 52 3PX -0.00927 0.00436 -0.00483 -0.00977 0.00272 53 3PY 0.01727 -0.00568 -0.00828 0.00268 0.00451 54 3PZ -0.01128 -0.00919 0.00500 0.00789 0.00155 55 4XX 0.00058 -0.00023 -0.00023 -0.00041 0.00001 56 4YY -0.00072 0.00002 0.00033 0.00002 0.00004 57 4ZZ 0.00216 0.00079 -0.00109 -0.00048 0.00002 58 4XY 0.00259 0.00018 0.00103 -0.00101 -0.00026 59 4XZ -0.00008 -0.00046 -0.00007 -0.00033 -0.00007 60 4YZ -0.00306 -0.00127 -0.00061 -0.00018 -0.00024 61 5 C 1S 0.01781 -0.00012 0.01515 0.00163 -0.00052 62 2S -0.02431 0.00103 -0.01901 -0.00082 0.00081 63 2PX 0.00882 -0.00873 0.00704 0.00531 -0.00041 64 2PY 0.03270 -0.00009 -0.00856 -0.00307 -0.00012 65 2PZ -0.01922 0.00229 -0.01173 -0.00643 0.00033 66 3S -0.03994 -0.00087 -0.02597 -0.00714 0.00104 67 3PX 0.00062 0.00315 0.00021 -0.00386 -0.00075 68 3PY 0.02582 -0.00027 0.00213 0.00452 -0.00067 69 3PZ -0.00712 -0.00418 -0.00417 0.00292 0.00066 70 4XX 0.00093 -0.00046 0.00069 0.00036 0.00036 71 4YY -0.00082 0.00012 0.00109 -0.00020 -0.00030 72 4ZZ 0.00151 0.00034 0.00035 0.00015 -0.00021 73 4XY -0.00126 0.00252 -0.00071 -0.00234 0.00015 74 4XZ -0.00058 -0.00014 0.00003 -0.00021 -0.00006 75 4YZ 0.00207 -0.00199 0.00084 0.00176 0.00007 76 6 C 1S 0.00273 -0.00287 -0.00863 0.00088 0.00047 77 2S -0.01823 0.00824 0.01224 -0.00430 -0.00092 78 2PX -0.04445 0.01951 -0.01105 -0.01139 -0.00455 79 2PY 0.05040 -0.01362 -0.02677 0.00783 0.00270 80 2PZ 0.02891 -0.01094 0.00061 0.01415 -0.00543 81 3S -0.00845 0.01413 0.01084 0.00024 -0.00280 82 3PX -0.01260 0.00846 -0.00479 -0.00746 -0.00312 83 3PY 0.01897 0.00000 -0.00745 -0.00571 0.00121 84 3PZ 0.00497 -0.00884 -0.00192 0.00186 -0.00358 85 4XX 0.00078 -0.00048 -0.00105 0.00041 0.00004 86 4YY 0.00079 -0.00001 0.00087 0.00028 0.00004 87 4ZZ 0.00131 -0.00049 -0.00059 0.00009 0.00005 88 4XY -0.00525 0.00022 -0.00211 -0.00158 0.00038 89 4XZ -0.00055 0.00038 0.00007 -0.00042 -0.00005 90 4YZ 0.00468 -0.00137 0.00206 0.00003 0.00009 91 7 H 1S -0.04151 0.00082 -0.03224 -0.00590 0.00519 92 2S -0.04791 -0.00046 -0.03348 -0.00782 0.00541 93 8 H 1S -0.03115 -0.00772 -0.02114 0.00273 0.00173 94 2S -0.02822 -0.00907 -0.01754 0.00027 0.00042 95 9 H 1S 0.03470 0.01374 -0.00320 -0.00486 0.00107 96 2S 0.02981 0.01558 -0.00580 -0.00686 0.00127 97 10 H 1S 0.04682 -0.01367 0.00529 0.01187 0.00004 98 2S 0.04878 -0.01536 0.00765 0.01490 -0.00008 99 11 O 1S 0.02986 0.00051 -0.00199 0.00046 0.00571 100 2S -0.07878 0.00141 0.02917 -0.00194 -0.01247 101 2PX 0.04146 0.12694 0.02361 0.04948 -0.01044 102 2PY 0.14802 0.00104 0.05600 -0.00896 -0.01964 103 2PZ 0.00445 0.05268 0.00355 0.14397 0.00009 104 3S -0.13621 0.00458 0.03267 0.00302 -0.01039 105 3PX 0.02609 0.08102 0.01635 0.03040 -0.00694 106 3PY 0.07750 0.00054 0.03138 -0.00455 -0.01009 107 3PZ 0.00092 0.03214 0.00176 0.09066 0.00025 108 4XX -0.00135 0.00069 -0.00251 0.00029 0.00057 109 4YY 0.01486 -0.00084 0.00380 -0.00126 -0.00117 110 4ZZ -0.00175 -0.00041 -0.00249 0.00018 0.00050 111 4XY 0.00289 0.00793 0.00132 0.00358 -0.00055 112 4XZ -0.00028 0.00069 0.00047 0.00107 -0.00014 113 4YZ 0.00097 0.00389 0.00049 0.00938 -0.00009 114 12 O 1S -0.00258 0.00050 -0.00156 -0.00059 0.00011 115 2S 0.00529 -0.00093 -0.00176 0.00050 -0.00036 116 2PX -0.01139 0.02478 -0.00875 -0.02404 0.00090 117 2PY -0.00645 -0.00119 0.01741 0.00445 0.00042 118 2PZ 0.01272 -0.01929 0.00326 0.02008 0.00122 119 3S -0.00976 -0.00051 0.01016 0.00039 -0.00008 120 3PX -0.00882 0.01791 -0.00632 -0.01742 0.00076 121 3PY 0.00005 -0.00088 0.00649 0.00231 0.00027 122 3PZ 0.01121 -0.01356 0.00374 0.01431 0.00080 123 4XX 0.00062 -0.00002 0.00006 0.00002 -0.00001 124 4YY 0.00057 0.00006 -0.00175 -0.00020 0.00001 125 4ZZ 0.00062 -0.00009 0.00004 0.00010 -0.00007 126 4XY 0.00021 -0.00073 0.00022 0.00086 -0.00004 127 4XZ -0.00037 0.00001 0.00002 -0.00006 -0.00002 128 4YZ -0.00009 0.00074 0.00023 -0.00056 -0.00005 129 13 C 1S -0.00317 -0.00040 -0.00300 0.00064 0.00063 130 2S 0.01299 0.00259 0.00455 -0.00484 -0.00142 131 2PX -0.01232 0.00103 -0.01052 0.01028 0.00217 132 2PY -0.00817 -0.00669 -0.00586 0.00838 0.00090 133 2PZ -0.01425 -0.00587 -0.01097 0.00601 0.00009 134 3S 0.01621 0.01659 0.00799 0.00146 -0.00252 135 3PX -0.00333 -0.00215 -0.00729 0.00265 0.00082 136 3PY -0.00879 -0.00863 -0.00537 0.00179 0.00101 137 3PZ -0.00512 0.00363 -0.00308 0.00765 0.00030 138 4XX -0.00154 -0.00031 -0.00178 0.00048 0.00041 139 4YY -0.00007 -0.00048 0.00026 0.00006 -0.00015 140 4ZZ 0.00130 0.00050 0.00106 -0.00020 -0.00014 141 4XY -0.00040 0.00010 -0.00022 0.00008 0.00014 142 4XZ -0.00086 -0.00003 -0.00047 0.00044 0.00016 143 4YZ 0.00014 -0.00004 -0.00010 0.00041 0.00016 144 14 H 1S -0.00853 -0.00007 -0.00957 0.00544 0.00179 145 2S -0.01470 -0.00264 -0.01056 0.00504 0.00332 146 15 H 1S 0.01422 0.00594 0.00978 -0.00476 -0.00092 147 2S 0.01023 0.00660 0.00949 -0.00011 -0.00055 148 16 C 1S 0.00962 0.00713 -0.00037 -0.00071 -0.00099 149 2S -0.01572 -0.01492 -0.00929 -0.00185 0.00144 150 2PX 0.01298 0.00146 0.02658 -0.01106 -0.00857 151 2PY 0.00604 0.01237 -0.00535 -0.00612 0.00052 152 2PZ -0.00882 -0.00381 -0.00474 -0.00062 -0.00424 153 3S -0.01356 -0.02504 -0.01098 -0.00871 0.00138 154 3PX 0.00448 -0.00618 0.01172 -0.00875 -0.00473 155 3PY 0.00040 -0.00116 -0.00285 -0.00818 -0.00018 156 3PZ -0.00007 0.00324 0.00376 -0.00041 -0.00381 157 4XX 0.00153 0.00161 -0.00036 0.00106 0.00030 158 4YY -0.00004 -0.00111 0.00075 -0.00045 -0.00020 159 4ZZ -0.00071 0.00004 0.00005 -0.00020 0.00001 160 4XY 0.00128 0.00069 0.00046 -0.00013 -0.00015 161 4XZ -0.00132 0.00020 0.00019 0.00097 0.00034 162 4YZ -0.00087 -0.00047 -0.00025 0.00028 -0.00005 163 17 H 1S -0.00749 -0.01336 0.00342 0.00090 -0.00056 164 2S -0.00574 -0.00366 0.00609 0.00045 -0.00195 165 18 C 1S 0.00936 0.00316 0.00087 0.00244 -0.00043 166 2S -0.01057 -0.00575 -0.00389 -0.00371 -0.00024 167 2PX -0.01437 -0.00124 0.02255 0.00623 -0.00028 168 2PY -0.00951 0.00229 0.00892 0.00177 0.00005 169 2PZ 0.01231 0.00493 0.02012 0.00018 0.00078 170 3S -0.00916 -0.00328 -0.00825 -0.00349 0.00236 171 3PX -0.00678 0.00091 0.01598 0.00546 0.00092 172 3PY -0.00043 0.00340 0.00140 0.00035 0.00071 173 3PZ 0.00229 -0.00269 0.01108 -0.00418 -0.00014 174 4XX 0.00106 0.00061 0.00082 0.00044 -0.00019 175 4YY 0.00030 -0.00025 0.00072 -0.00034 -0.00004 176 4ZZ -0.00006 -0.00048 -0.00094 -0.00024 0.00024 177 4XY 0.00052 0.00055 0.00075 0.00076 0.00024 178 4XZ 0.00006 0.00029 -0.00027 0.00066 0.00026 179 4YZ -0.00129 -0.00050 -0.00008 0.00076 0.00007 180 19 H 1S 0.00933 0.00011 -0.00018 -0.00438 0.00044 181 2S 0.01111 0.00673 0.00085 0.00210 0.00034 182 20 C 1S -0.00545 -0.00145 -0.00101 0.00202 0.00049 183 2S 0.00953 0.00150 0.00362 -0.00132 -0.00080 184 2PX -0.00792 -0.00026 0.00370 0.01200 -0.00006 185 2PY -0.00696 0.00418 -0.00021 0.00165 0.00018 186 2PZ 0.01257 0.00888 0.00401 0.00277 0.00081 187 3S 0.01111 -0.00561 0.00174 -0.00390 -0.00080 188 3PX -0.00313 0.00006 0.00218 0.00819 -0.00004 189 3PY -0.00094 0.00484 0.00181 0.00408 -0.00012 190 3PZ 0.00029 0.00211 0.00070 0.00098 0.00100 191 4XX -0.00102 -0.00047 -0.00089 0.00022 0.00012 192 4YY -0.00050 0.00014 -0.00005 -0.00020 -0.00013 193 4ZZ 0.00088 0.00061 0.00067 0.00009 0.00011 194 4XY -0.00071 0.00003 -0.00009 -0.00016 0.00004 195 4XZ -0.00048 0.00006 0.00043 0.00045 0.00025 196 4YZ 0.00015 -0.00020 -0.00011 -0.00012 -0.00002 197 21 H 1S -0.00417 0.00177 0.00103 0.00074 -0.00056 198 2S -0.00815 0.00275 -0.00084 -0.00267 -0.00021 199 22 C 1S -0.00198 -0.00152 -0.00455 0.00001 0.00010 200 2S 0.00255 0.00223 0.00666 -0.00106 0.00028 201 2PX -0.00053 0.00585 0.02190 0.01364 0.00353 202 2PY 0.01638 0.00290 -0.00513 -0.00071 0.00008 203 2PZ -0.01464 -0.00448 0.00576 0.00741 0.00141 204 3S 0.00335 0.00298 0.00919 0.00378 -0.00151 205 3PX -0.00106 0.00398 0.01420 0.01028 0.00315 206 3PY 0.00771 0.00280 -0.00272 -0.00189 0.00102 207 3PZ -0.00725 -0.00058 0.00406 0.00488 0.00205 208 4XX -0.00001 0.00012 -0.00016 0.00026 -0.00001 209 4YY -0.00084 -0.00005 -0.00004 0.00004 -0.00001 210 4ZZ 0.00097 -0.00003 -0.00019 -0.00030 0.00003 211 4XY 0.00053 0.00014 -0.00074 -0.00017 0.00001 212 4XZ -0.00057 -0.00021 -0.00032 -0.00018 0.00005 213 4YZ -0.00068 -0.00046 -0.00078 -0.00006 -0.00004 214 23 H 1S -0.00052 -0.00191 -0.00149 0.00031 -0.00004 215 2S -0.00151 -0.00354 -0.00307 0.00027 -0.00074 26 27 28 29 30 26 4YY 0.00227 27 4ZZ -0.00077 0.00184 28 4XY -0.00016 -0.00035 0.00384 29 4XZ 0.00059 -0.00029 0.00013 0.00057 30 4YZ 0.00005 0.00011 -0.00142 0.00026 0.00338 31 3 C 1S 0.00145 -0.00097 -0.00572 0.00358 0.00475 32 2S -0.00328 0.00038 0.01045 -0.00632 -0.00900 33 2PX 0.00225 -0.00130 -0.00850 0.00301 0.01444 34 2PY 0.01313 -0.00259 -0.00323 0.00599 0.00289 35 2PZ -0.00330 -0.00974 0.01222 0.00260 -0.00123 36 3S -0.00895 0.00314 0.02804 -0.00741 -0.02037 37 3PX 0.00061 -0.00303 -0.00513 0.00134 0.01031 38 3PY 0.00287 0.00069 0.00126 0.00159 -0.00160 39 3PZ -0.00327 -0.00332 0.00913 0.00130 0.00110 40 4XX -0.00025 -0.00026 0.00010 0.00008 0.00041 41 4YY 0.00077 -0.00031 -0.00030 0.00031 0.00017 42 4ZZ -0.00022 0.00031 -0.00052 -0.00017 0.00008 43 4XY -0.00007 -0.00040 0.00035 -0.00008 -0.00001 44 4XZ 0.00031 -0.00014 0.00008 0.00047 0.00038 45 4YZ -0.00010 0.00048 -0.00018 -0.00020 0.00022 46 4 C 1S -0.00192 0.00072 -0.00031 -0.00039 -0.00029 47 2S 0.00375 -0.00153 0.00082 0.00094 0.00011 48 2PX -0.00184 -0.00171 0.00000 -0.00055 0.00370 49 2PY -0.00952 0.00183 -0.00218 -0.00174 0.00260 50 2PZ 0.00013 -0.00186 0.00079 -0.00057 0.00178 51 3S 0.00484 -0.00367 -0.00740 0.00222 0.00814 52 3PX -0.00086 -0.00130 0.00071 -0.00064 0.00263 53 3PY -0.00512 0.00081 0.00517 -0.00155 -0.00283 54 3PZ -0.00073 -0.00074 -0.00016 -0.00060 0.00231 55 4XX -0.00018 0.00005 -0.00013 -0.00006 -0.00015 56 4YY 0.00014 -0.00004 0.00022 -0.00012 -0.00018 57 4ZZ -0.00027 0.00012 0.00001 -0.00002 0.00005 58 4XY -0.00001 0.00007 0.00027 -0.00010 -0.00057 59 4XZ 0.00010 0.00001 -0.00002 -0.00001 -0.00013 60 4YZ 0.00013 0.00031 -0.00045 -0.00013 -0.00002 61 5 C 1S -0.00045 -0.00056 -0.00012 -0.00012 0.00010 62 2S -0.00017 0.00052 0.00019 -0.00007 0.00018 63 2PX -0.00040 0.00059 -0.00134 -0.00033 0.00241 64 2PY 0.00177 0.00011 0.00005 0.00021 0.00013 65 2PZ -0.00056 0.00036 0.00241 -0.00034 -0.00029 66 3S -0.00094 0.00151 0.00124 -0.00070 -0.00187 67 3PX 0.00032 0.00029 -0.00245 -0.00001 0.00204 68 3PY -0.00104 -0.00040 -0.00067 0.00002 0.00068 69 3PZ -0.00050 0.00015 0.00228 -0.00035 -0.00177 70 4XX -0.00028 -0.00023 -0.00022 -0.00006 -0.00011 71 4YY 0.00059 -0.00018 0.00006 0.00013 -0.00003 72 4ZZ -0.00020 0.00023 0.00021 -0.00001 0.00019 73 4XY 0.00003 -0.00021 -0.00023 0.00004 -0.00034 74 4XZ 0.00014 -0.00002 -0.00005 0.00001 -0.00006 75 4YZ 0.00005 -0.00019 -0.00033 0.00004 -0.00038 76 6 C 1S -0.00175 0.00072 -0.00016 -0.00044 -0.00007 77 2S 0.00366 -0.00160 0.00043 0.00099 0.00018 78 2PX 0.00038 0.00476 0.00500 -0.00034 0.00657 79 2PY -0.00891 0.00228 0.00090 -0.00141 -0.00144 80 2PZ -0.00105 0.00641 0.00706 -0.00050 0.00610 81 3S 0.00368 -0.00407 0.00693 0.00206 -0.00571 82 3PX -0.00052 0.00324 0.00318 -0.00010 0.00515 83 3PY -0.00270 0.00167 -0.00479 -0.00078 0.00435 84 3PZ -0.00008 0.00416 0.00586 -0.00017 0.00426 85 4XX -0.00026 0.00009 0.00013 -0.00003 -0.00001 86 4YY 0.00008 0.00002 -0.00024 -0.00013 0.00025 87 4ZZ -0.00019 0.00000 0.00000 -0.00001 -0.00011 88 4XY 0.00004 -0.00016 0.00024 -0.00001 -0.00057 89 4XZ 0.00013 -0.00003 -0.00004 0.00002 0.00004 90 4YZ -0.00004 -0.00031 -0.00062 0.00004 0.00005 91 7 H 1S -0.00417 0.00379 0.00119 -0.00434 -0.00125 92 2S -0.00393 0.00363 0.00678 -0.00283 -0.00618 93 8 H 1S -0.00316 0.00631 -0.00371 -0.00522 -0.00103 94 2S -0.00197 0.00634 -0.00753 -0.00315 0.00381 95 9 H 1S -0.00217 0.00010 0.00067 0.00016 0.00031 96 2S -0.00292 0.00043 0.00219 -0.00002 -0.00035 97 10 H 1S -0.00222 0.00047 -0.00087 -0.00015 0.00050 98 2S -0.00270 0.00087 -0.00303 -0.00041 0.00196 99 11 O 1S -0.01352 0.00526 -0.00216 -0.00149 -0.00042 100 2S 0.02469 -0.01162 0.00459 0.00333 0.00087 101 2PX 0.00746 -0.00031 -0.04474 -0.00063 0.01123 102 2PY 0.00639 -0.01982 0.00719 0.00362 0.00026 103 2PZ 0.00062 -0.00174 0.01158 -0.00409 -0.04197 104 3S 0.02914 -0.00892 0.00277 0.00336 0.00053 105 3PX 0.00510 0.00024 -0.03191 -0.00042 0.00882 106 3PY 0.00298 -0.01016 0.00409 0.00200 -0.00017 107 3PZ 0.00033 -0.00116 0.00912 -0.00278 -0.02948 108 4XX -0.00059 0.00050 -0.00033 -0.00005 0.00002 109 4YY -0.00010 -0.00128 0.00056 0.00007 0.00012 110 4ZZ -0.00056 0.00056 0.00002 -0.00007 -0.00012 111 4XY 0.00036 -0.00016 -0.00174 -0.00007 -0.00002 112 4XZ 0.00023 -0.00012 -0.00002 0.00004 -0.00019 113 4YZ 0.00009 -0.00007 0.00000 -0.00022 -0.00183 114 12 O 1S -0.00037 0.00009 0.00000 0.00002 -0.00003 115 2S 0.00122 -0.00008 0.00007 0.00012 0.00008 116 2PX 0.00054 -0.00182 -0.00183 0.00053 -0.00329 117 2PY -0.00277 -0.00033 -0.00043 -0.00047 -0.00014 118 2PZ 0.00049 -0.00195 -0.00287 0.00051 -0.00278 119 3S 0.00193 -0.00028 0.00006 0.00021 -0.00003 120 3PX 0.00041 -0.00143 -0.00116 0.00042 -0.00281 121 3PY -0.00185 -0.00012 -0.00023 -0.00034 -0.00015 122 3PZ 0.00045 -0.00152 -0.00250 0.00045 -0.00195 123 4XX -0.00007 -0.00004 -0.00003 -0.00001 -0.00002 124 4YY 0.00007 0.00005 0.00001 0.00001 0.00002 125 4ZZ -0.00005 0.00000 0.00003 0.00001 0.00003 126 4XY -0.00001 0.00006 0.00011 -0.00001 0.00008 127 4XZ 0.00006 -0.00001 -0.00001 0.00001 -0.00003 128 4YZ -0.00001 0.00007 0.00007 -0.00001 0.00013 129 13 C 1S -0.00008 -0.00030 0.00026 0.00000 0.00046 130 2S 0.00014 0.00055 0.00012 -0.00007 -0.00117 131 2PX -0.00071 -0.00140 0.00099 0.00043 0.00161 132 2PY -0.00076 -0.00027 0.00007 0.00038 0.00032 133 2PZ 0.00011 0.00054 -0.00038 -0.00009 0.00013 134 3S 0.00067 0.00128 -0.00360 -0.00064 -0.00237 135 3PX -0.00026 -0.00084 0.00134 0.00057 0.00012 136 3PY -0.00071 -0.00022 0.00090 0.00036 0.00062 137 3PZ -0.00044 0.00060 -0.00164 -0.00081 -0.00027 138 4XX -0.00012 -0.00015 0.00013 0.00008 0.00032 139 4YY 0.00005 0.00009 -0.00003 -0.00001 -0.00016 140 4ZZ -0.00002 0.00007 0.00001 -0.00007 -0.00013 141 4XY 0.00000 -0.00008 0.00007 0.00008 0.00022 142 4XZ -0.00002 -0.00011 0.00005 0.00003 0.00016 143 4YZ -0.00004 -0.00008 0.00007 0.00006 0.00019 144 14 H 1S -0.00057 -0.00094 0.00060 0.00036 0.00145 145 2S -0.00090 -0.00160 0.00081 0.00043 0.00306 146 15 H 1S 0.00004 0.00009 -0.00001 -0.00015 -0.00067 147 2S -0.00037 0.00042 -0.00043 -0.00074 -0.00077 148 16 C 1S 0.00006 0.00011 -0.00037 -0.00058 -0.00068 149 2S -0.00033 -0.00002 0.00057 0.00118 0.00131 150 2PX 0.00306 0.00395 -0.00338 -0.00276 -0.00695 151 2PY -0.00037 0.00004 0.00013 -0.00006 0.00140 152 2PZ 0.00077 0.00236 -0.00254 -0.00073 -0.00314 153 3S 0.00038 -0.00256 0.00332 0.00259 0.00122 154 3PX 0.00086 0.00305 0.00091 -0.00188 -0.00454 155 3PY 0.00067 -0.00067 -0.00042 0.00061 0.00206 156 3PZ 0.00149 0.00108 -0.00213 -0.00078 -0.00283 157 4XX -0.00018 -0.00017 0.00025 -0.00002 0.00005 158 4YY 0.00011 0.00009 -0.00007 0.00003 -0.00008 159 4ZZ -0.00006 0.00012 -0.00012 -0.00009 0.00017 160 4XY -0.00004 0.00012 -0.00012 -0.00011 -0.00012 161 4XZ -0.00015 -0.00008 0.00009 -0.00017 0.00010 162 4YZ -0.00002 0.00005 -0.00008 -0.00001 -0.00005 163 17 H 1S 0.00061 0.00013 -0.00012 0.00043 -0.00074 164 2S 0.00182 0.00063 -0.00413 0.00013 0.00029 165 18 C 1S -0.00045 -0.00078 0.00004 -0.00053 -0.00026 166 2S 0.00015 0.00066 -0.00055 0.00082 0.00012 167 2PX -0.00039 -0.00002 -0.00065 -0.00330 -0.00139 168 2PY 0.00032 -0.00052 -0.00004 -0.00048 -0.00034 169 2PZ 0.00001 -0.00063 0.00115 -0.00121 -0.00063 170 3S -0.00181 0.00145 0.00168 0.00084 0.00207 171 3PX -0.00072 -0.00040 -0.00026 -0.00243 -0.00099 172 3PY -0.00026 -0.00028 0.00105 0.00018 0.00033 173 3PZ 0.00040 -0.00102 0.00003 -0.00060 0.00018 174 4XX 0.00006 0.00004 -0.00010 -0.00012 -0.00011 175 4YY 0.00005 0.00000 -0.00004 -0.00002 -0.00009 176 4ZZ -0.00007 -0.00010 0.00010 0.00009 0.00014 177 4XY -0.00009 -0.00014 0.00009 -0.00003 0.00019 178 4XZ -0.00009 -0.00019 0.00017 0.00005 0.00018 179 4YZ -0.00006 -0.00007 -0.00003 -0.00003 0.00004 180 19 H 1S 0.00000 0.00023 0.00060 0.00064 0.00032 181 2S 0.00007 0.00039 0.00068 0.00018 -0.00067 182 20 C 1S 0.00000 -0.00018 0.00012 0.00015 0.00058 183 2S 0.00011 0.00078 -0.00042 -0.00034 -0.00099 184 2PX 0.00036 -0.00075 0.00087 0.00110 0.00198 185 2PY 0.00019 -0.00076 0.00052 0.00037 0.00109 186 2PZ 0.00054 -0.00061 0.00101 0.00073 0.00184 187 3S 0.00061 0.00057 0.00119 -0.00003 -0.00328 188 3PX 0.00029 -0.00043 0.00088 0.00103 0.00314 189 3PY -0.00034 0.00043 -0.00175 -0.00057 0.00081 190 3PZ 0.00065 -0.00093 0.00126 0.00108 0.00245 191 4XX -0.00007 -0.00002 -0.00001 0.00000 0.00010 192 4YY 0.00004 0.00006 -0.00001 0.00002 -0.00003 193 4ZZ -0.00008 -0.00005 0.00006 -0.00005 0.00010 194 4XY 0.00008 -0.00005 0.00003 0.00006 0.00006 195 4XZ -0.00010 -0.00014 0.00004 -0.00006 0.00023 196 4YZ 0.00003 -0.00002 -0.00001 0.00002 -0.00001 197 21 H 1S 0.00036 -0.00008 0.00017 0.00023 0.00010 198 2S 0.00069 -0.00076 0.00072 0.00078 0.00026 199 22 C 1S 0.00007 0.00018 0.00003 0.00008 0.00013 200 2S 0.00024 -0.00019 -0.00014 -0.00003 -0.00049 201 2PX -0.00109 -0.00241 0.00150 -0.00133 0.00323 202 2PY -0.00021 -0.00011 0.00017 0.00017 0.00018 203 2PZ -0.00078 -0.00148 0.00012 -0.00052 0.00105 204 3S 0.00022 0.00033 -0.00171 -0.00102 -0.00087 205 3PX -0.00108 -0.00223 0.00080 -0.00085 0.00238 206 3PY -0.00043 -0.00039 0.00088 0.00043 0.00040 207 3PZ -0.00039 -0.00134 0.00102 -0.00004 0.00086 208 4XX 0.00000 0.00000 0.00006 0.00002 0.00009 209 4YY 0.00002 -0.00002 -0.00006 0.00002 -0.00003 210 4ZZ -0.00003 0.00001 -0.00007 -0.00003 -0.00011 211 4XY 0.00005 -0.00002 0.00004 0.00016 0.00011 212 4XZ -0.00002 -0.00002 0.00004 -0.00001 0.00002 213 4YZ 0.00000 0.00002 -0.00007 0.00005 0.00001 214 23 H 1S -0.00017 -0.00022 -0.00044 -0.00001 -0.00036 215 2S -0.00017 0.00032 -0.00085 -0.00015 -0.00025 31 32 33 34 35 31 3 C 1S 2.05538 32 2S -0.05695 0.31357 33 2PX 0.00411 -0.01244 0.36591 34 2PY 0.00257 0.00198 0.00864 0.41293 35 2PZ 0.00397 -0.01016 -0.03155 0.01118 0.38828 36 3S -0.23997 0.34377 -0.02729 -0.07296 0.06945 37 3PX 0.00118 0.00202 0.21941 -0.00133 0.02128 38 3PY -0.00673 0.00122 -0.01314 0.13749 -0.01116 39 3PZ -0.01678 0.00638 0.02550 -0.01622 0.20076 40 4XX -0.01324 -0.00949 -0.00371 -0.00654 0.00697 41 4YY -0.01586 -0.00268 0.00155 0.01462 -0.00068 42 4ZZ -0.01578 -0.00337 0.00661 -0.01190 -0.00906 43 4XY -0.00047 0.00113 -0.00537 -0.00300 0.00790 44 4XZ 0.00311 -0.00651 0.00717 0.00609 0.00297 45 4YZ -0.00231 0.00453 0.00722 -0.00305 -0.01247 46 4 C 1S 0.01525 -0.03313 -0.01035 -0.07426 -0.00794 47 2S -0.03317 0.05905 0.01820 0.15105 0.01371 48 2PX -0.00680 0.01078 0.10413 -0.02702 0.06330 49 2PY 0.07437 -0.15131 0.00522 -0.32016 0.01067 50 2PZ -0.00907 0.01569 0.06258 -0.01012 0.06455 51 3S 0.03356 -0.01194 0.06147 0.13212 0.03589 52 3PX -0.01218 0.01532 0.06094 -0.01798 0.04726 53 3PY -0.00363 -0.01550 0.00342 -0.12012 0.03019 54 3PZ 0.00415 0.00335 0.05070 -0.01967 0.03742 55 4XX 0.00232 -0.00537 -0.00271 -0.00873 -0.00146 56 4YY -0.00667 0.01117 0.00085 0.00706 -0.00037 57 4ZZ 0.00245 -0.00597 -0.00116 -0.00981 -0.00110 58 4XY -0.00082 0.00159 -0.01203 0.00267 -0.00028 59 4XZ -0.00064 0.00115 -0.00108 0.00155 -0.00130 60 4YZ -0.00041 0.00058 0.00037 -0.00100 -0.01234 61 5 C 1S -0.00309 0.00685 -0.00256 0.01411 0.00278 62 2S 0.00810 -0.01631 0.01289 -0.03673 -0.00439 63 2PX 0.00735 -0.01784 0.01138 -0.03162 -0.01141 64 2PY -0.00896 0.02292 -0.00732 0.03882 0.00653 65 2PZ -0.00779 0.01631 0.00163 0.01143 0.01277 66 3S -0.00413 -0.01018 -0.00183 -0.05853 -0.03392 67 3PX 0.00023 -0.00455 0.01020 -0.00717 -0.01942 68 3PY 0.01171 -0.01304 0.00778 -0.01523 -0.00405 69 3PZ -0.00283 0.00683 -0.00850 0.00091 0.01059 70 4XX 0.00033 -0.00114 0.00415 -0.00497 0.00231 71 4YY -0.00194 0.00380 -0.00131 0.00982 0.00013 72 4ZZ 0.00076 -0.00159 -0.00180 -0.00184 -0.00184 73 4XY 0.00017 -0.00049 -0.00065 -0.00110 -0.00105 74 4XZ -0.00037 0.00094 -0.00067 0.00199 -0.00070 75 4YZ 0.00037 -0.00024 -0.00354 0.00255 -0.00180 76 6 C 1S -0.00056 0.00067 -0.00510 0.00282 0.00019 77 2S -0.00032 -0.00092 0.01366 -0.00729 0.00217 78 2PX 0.00189 -0.00724 0.00173 -0.00888 -0.01191 79 2PY -0.00161 0.00187 -0.00476 0.00231 0.00762 80 2PZ -0.00188 0.00448 -0.02646 0.01264 -0.01397 81 3S 0.00768 0.00174 0.02693 -0.00592 -0.00516 82 3PX 0.00573 -0.00821 -0.00211 -0.00344 -0.00714 83 3PY -0.00379 -0.00123 0.00187 0.00720 0.00352 84 3PZ -0.00403 0.00431 -0.01922 0.00816 -0.01042 85 4XX -0.00014 0.00000 0.00020 -0.00080 0.00066 86 4YY 0.00011 -0.00001 0.00121 0.00069 0.00004 87 4ZZ -0.00014 -0.00003 -0.00073 0.00009 -0.00031 88 4XY -0.00046 0.00113 -0.00132 -0.00193 0.00155 89 4XZ -0.00013 0.00014 0.00014 0.00045 -0.00038 90 4YZ 0.00042 -0.00095 0.00125 0.00135 -0.00126 91 7 H 1S -0.00688 0.01386 -0.02200 -0.00796 0.01701 92 2S -0.01522 0.02747 -0.05935 -0.02243 0.03850 93 8 H 1S -0.05881 0.11306 0.07935 -0.12577 -0.21940 94 2S -0.01032 0.02468 0.07088 -0.09518 -0.18668 95 9 H 1S 0.01191 -0.02618 -0.01085 -0.03741 0.01393 96 2S 0.01543 -0.02910 -0.02319 -0.06020 0.02720 97 10 H 1S 0.00098 -0.00131 0.00012 0.00926 -0.00350 98 2S 0.00690 -0.01099 0.00478 0.00704 -0.01235 99 11 O 1S -0.00291 0.00532 -0.00313 -0.01037 0.00172 100 2S 0.00553 -0.01204 0.01025 0.02310 -0.00608 101 2PX 0.02755 -0.04395 0.03042 0.06091 -0.06399 102 2PY 0.01174 -0.01835 0.03106 0.03284 -0.01747 103 2PZ -0.02122 0.04305 -0.07091 -0.04242 -0.00691 104 3S 0.01183 -0.00495 -0.00302 0.05703 0.00661 105 3PX 0.02156 -0.03700 0.02433 0.05371 -0.05668 106 3PY 0.00697 -0.00723 0.01380 0.02766 -0.00428 107 3PZ -0.01643 0.03456 -0.06544 -0.03523 -0.00730 108 4XX -0.00087 0.00007 0.00112 -0.00199 0.00037 109 4YY -0.00015 -0.00068 0.00039 -0.00136 -0.00024 110 4ZZ -0.00098 0.00004 0.00007 -0.00140 -0.00144 111 4XY -0.00009 0.00057 -0.00198 -0.00083 0.00146 112 4XZ 0.00002 -0.00025 -0.00007 0.00122 0.00030 113 4YZ 0.00008 0.00013 0.00166 0.00024 -0.00163 114 12 O 1S 0.00112 -0.00263 0.00100 -0.00601 -0.00077 115 2S -0.00236 0.00524 -0.00193 0.01314 -0.00034 116 2PX -0.00811 0.01089 -0.01010 0.04078 -0.00655 117 2PY 0.00705 -0.01884 0.00420 -0.03600 -0.00218 118 2PZ 0.00935 -0.01267 -0.02008 -0.01270 -0.00955 119 3S -0.00801 0.01564 -0.00798 0.04012 0.01374 120 3PX -0.00578 0.00900 -0.01118 0.03372 -0.00190 121 3PY 0.00488 -0.01353 0.00365 -0.02987 -0.00567 122 3PZ 0.00745 -0.01108 -0.01448 -0.00994 -0.00996 123 4XX 0.00014 -0.00071 0.00053 -0.00168 -0.00070 124 4YY 0.00024 -0.00005 0.00030 -0.00046 -0.00036 125 4ZZ 0.00017 -0.00072 0.00000 -0.00121 -0.00092 126 4XY -0.00002 0.00016 0.00023 -0.00049 0.00050 127 4XZ -0.00019 0.00033 -0.00028 0.00084 -0.00026 128 4YZ -0.00011 0.00001 0.00097 -0.00008 0.00023 129 13 C 1S -0.00314 0.00561 0.01219 0.00065 0.00354 130 2S 0.00615 -0.01227 -0.03048 -0.00334 -0.00853 131 2PX -0.00942 0.01880 0.03661 0.00289 0.01577 132 2PY 0.00015 0.00361 0.00200 -0.00593 -0.01194 133 2PZ -0.00292 0.00513 0.00568 -0.00572 -0.01084 134 3S 0.01261 -0.02494 -0.05700 -0.00715 -0.02277 135 3PX -0.00520 0.00876 0.00695 0.00025 0.00768 136 3PY -0.00132 0.00363 0.01071 -0.00328 -0.00564 137 3PZ -0.00318 0.00395 0.00651 -0.02030 -0.01301 138 4XX -0.00118 0.00192 0.00871 -0.00159 0.00413 139 4YY 0.00034 -0.00072 -0.00365 0.00037 -0.00179 140 4ZZ 0.00032 -0.00067 -0.00378 -0.00011 -0.00171 141 4XY -0.00033 0.00023 0.00430 0.00017 0.00279 142 4XZ -0.00078 0.00175 0.00432 0.00063 0.00152 143 4YZ -0.00024 0.00066 0.00321 -0.00043 0.00137 144 14 H 1S -0.00632 0.01133 0.03530 -0.00470 0.01526 145 2S -0.00886 0.01705 0.07326 -0.00702 0.03450 146 15 H 1S 0.00454 -0.00788 -0.02104 0.00298 -0.00307 147 2S 0.00100 -0.00199 -0.01418 -0.00665 -0.01050 148 16 C 1S -0.00059 0.00049 -0.01452 0.00174 -0.01221 149 2S 0.00024 -0.01310 0.02550 -0.00348 0.02039 150 2PX 0.01745 -0.02821 -0.16235 0.04149 -0.10219 151 2PY -0.00437 0.00477 0.03341 -0.01712 0.01650 152 2PZ 0.00952 -0.01767 -0.09209 0.02341 -0.07992 153 3S 0.01211 -0.00876 0.02532 0.00792 0.03969 154 3PX -0.00052 -0.00477 -0.09810 0.02293 -0.06454 155 3PY 0.00044 0.00580 0.01629 0.01066 0.00593 156 3PZ 0.00283 -0.00437 -0.07180 0.02783 -0.04012 157 4XX -0.00167 0.00318 0.00436 -0.00286 0.00663 158 4YY 0.00096 -0.00287 -0.00446 0.00233 -0.00221 159 4ZZ -0.00071 0.00060 0.00233 -0.00124 -0.00374 160 4XY 0.00032 -0.00115 -0.00290 -0.00269 -0.00231 161 4XZ -0.00193 0.00448 0.00723 -0.00327 0.00244 162 4YZ 0.00041 -0.00103 -0.00221 -0.00101 -0.00188 163 17 H 1S 0.00540 -0.01121 -0.02286 0.01676 -0.00718 164 2S 0.00815 -0.01210 -0.03259 0.03395 -0.02737 165 18 C 1S -0.00184 0.00261 0.00253 -0.00094 0.00665 166 2S 0.00236 -0.00678 -0.01033 0.00436 -0.02214 167 2PX -0.00758 0.01721 0.00006 -0.00955 0.00228 168 2PY -0.00058 0.00231 0.00137 -0.00087 0.00841 169 2PZ -0.00615 0.01838 0.01310 -0.00592 0.02733 170 3S 0.00209 -0.00560 0.02585 -0.01121 0.00299 171 3PX -0.00803 0.01777 0.01553 -0.01662 0.01310 172 3PY 0.00207 -0.00001 0.00604 0.00042 0.02433 173 3PZ -0.00497 0.01137 0.00271 0.00249 0.01301 174 4XX -0.00052 0.00044 -0.00228 0.00061 -0.00116 175 4YY -0.00007 -0.00015 -0.00185 0.00057 -0.00162 176 4ZZ -0.00060 0.00016 0.00406 -0.00123 0.00270 177 4XY -0.00075 0.00122 0.00511 -0.00151 0.00450 178 4XZ -0.00058 0.00131 0.00492 -0.00067 0.00529 179 4YZ -0.00025 0.00026 0.00170 -0.00011 0.00109 180 19 H 1S 0.00039 0.00098 0.00331 -0.00038 0.00224 181 2S 0.00033 0.00192 0.00254 -0.00348 0.00867 182 20 C 1S -0.00180 0.00275 0.01047 0.00255 0.00710 183 2S 0.00523 -0.00480 -0.02461 -0.00927 -0.01714 184 2PX -0.00233 0.00674 0.01213 0.02679 0.00772 185 2PY -0.00632 0.00943 0.02102 0.01575 0.01249 186 2PZ -0.00233 0.00782 0.02015 0.01383 0.01523 187 3S -0.00059 -0.00196 -0.03825 0.00159 -0.02104 188 3PX -0.00021 0.00401 0.02182 0.02053 0.01601 189 3PY 0.00105 0.00096 0.00468 -0.01267 -0.00800 190 3PZ -0.00488 0.00923 0.03540 0.02486 0.02107 191 4XX -0.00039 0.00038 0.00231 -0.00119 0.00087 192 4YY -0.00002 -0.00023 -0.00150 0.00075 -0.00078 193 4ZZ -0.00013 0.00045 0.00186 -0.00107 0.00216 194 4XY -0.00077 0.00105 0.00188 0.00270 0.00129 195 4XZ -0.00075 0.00116 0.00595 -0.00111 0.00468 196 4YZ -0.00011 0.00014 0.00025 0.00114 0.00034 197 21 H 1S -0.00203 0.00348 -0.00146 0.01234 -0.00228 198 2S -0.00390 0.00499 0.00687 0.02789 0.00888 199 22 C 1S -0.00099 0.00047 0.00272 0.00065 0.00188 200 2S 0.00155 0.00003 -0.00589 0.00064 -0.00245 201 2PX -0.01152 0.02610 0.07902 -0.01071 0.07369 202 2PY -0.00055 0.00064 0.00338 -0.00012 0.00293 203 2PZ -0.00723 0.01138 0.03955 -0.00064 0.03381 204 3S 0.00344 -0.00490 -0.02278 -0.01627 -0.02644 205 3PX -0.00812 0.01716 0.06463 -0.01335 0.06327 206 3PY 0.00007 0.00139 0.00969 0.00187 0.01921 207 3PZ -0.00735 0.01251 0.04163 0.00403 0.03834 208 4XX -0.00034 0.00052 0.00051 0.00079 0.00071 209 4YY -0.00015 0.00007 -0.00011 0.00055 -0.00060 210 4ZZ 0.00005 -0.00023 -0.00093 -0.00125 -0.00021 211 4XY 0.00023 -0.00052 0.00039 0.00134 0.00025 212 4XZ -0.00027 0.00032 0.00124 -0.00024 0.00114 213 4YZ 0.00010 -0.00076 -0.00068 0.00034 -0.00123 214 23 H 1S -0.00006 -0.00100 -0.00089 0.00035 -0.00234 215 2S 0.00122 -0.00415 -0.00998 -0.00125 -0.01408 36 37 38 39 40 36 3S 0.57189 37 3PX -0.01296 0.14706 38 3PY 0.01786 -0.01333 0.07699 39 3PZ 0.07849 0.03253 -0.01024 0.12062 40 4XX -0.00733 -0.00123 -0.00154 0.00336 0.00099 41 4YY -0.00716 0.00085 0.00275 -0.00155 -0.00019 42 4ZZ -0.00238 0.00307 -0.00315 -0.00365 0.00010 43 4XY 0.00277 -0.00207 -0.00180 0.00346 0.00017 44 4XZ -0.00652 0.00347 0.00190 0.00220 0.00011 45 4YZ 0.00496 0.00304 -0.00118 -0.00485 -0.00038 46 4 C 1S 0.03299 -0.01158 0.00378 0.00395 0.00238 47 2S -0.01131 0.01545 0.01526 0.00334 -0.00549 48 2PX 0.05627 0.06172 -0.01452 0.05226 -0.00105 49 2PY -0.13488 0.00916 -0.12100 0.01839 0.00903 50 2PZ 0.04001 0.04558 -0.03196 0.03841 -0.00154 51 3S -0.18829 0.04971 -0.05369 0.00536 -0.00427 52 3PX 0.05492 0.03836 -0.01244 0.03913 -0.00118 53 3PY 0.05176 0.00800 -0.02704 0.02903 0.00294 54 3PZ 0.00612 0.03713 -0.03142 0.02411 -0.00108 55 4XX -0.00418 -0.00207 -0.00270 -0.00119 0.00035 56 4YY 0.01360 0.00105 0.00384 -0.00002 -0.00037 57 4ZZ -0.00521 -0.00126 -0.00290 -0.00019 0.00028 58 4XY 0.00180 -0.00795 0.00156 -0.00145 -0.00001 59 4XZ 0.00214 -0.00135 0.00121 -0.00120 -0.00006 60 4YZ -0.00046 -0.00093 0.00031 -0.00668 -0.00024 61 5 C 1S -0.00832 -0.00046 0.00211 -0.00214 -0.00018 62 2S -0.00395 0.00970 -0.01479 0.00217 0.00054 63 2PX -0.02224 0.01409 -0.01245 -0.00578 -0.00013 64 2PY 0.06343 -0.00282 0.04378 0.00039 0.00012 65 2PZ 0.03927 -0.01341 0.00521 0.01489 -0.00078 66 3S 0.01501 -0.00968 -0.01664 -0.01053 0.00025 67 3PX -0.00590 0.00541 0.00482 -0.00917 -0.00029 68 3PY -0.02977 0.00430 -0.00926 -0.00420 0.00036 69 3PZ 0.01992 -0.00995 -0.00246 0.00810 -0.00030 70 4XX -0.00229 0.00245 -0.00410 0.00159 0.00004 71 4YY 0.00397 -0.00057 0.00458 -0.00079 -0.00020 72 4ZZ -0.00375 -0.00132 -0.00072 -0.00072 0.00005 73 4XY 0.00762 -0.00070 0.00588 -0.00031 0.00014 74 4XZ 0.00168 -0.00071 0.00140 -0.00074 -0.00005 75 4YZ -0.00869 -0.00277 -0.00282 -0.00235 0.00011 76 6 C 1S -0.00174 -0.00459 0.00024 0.00125 0.00010 77 2S 0.01550 0.00979 0.00213 0.00183 -0.00037 78 2PX 0.00780 -0.00300 0.00555 0.00904 -0.00134 79 2PY 0.01624 -0.00662 0.01008 0.00857 0.00104 80 2PZ -0.00056 -0.01072 0.00346 -0.00439 -0.00168 81 3S 0.07230 0.01657 0.03560 0.00073 -0.00120 82 3PX -0.00764 -0.00234 0.00267 0.00419 -0.00063 83 3PY -0.02699 0.00037 -0.00509 0.00240 0.00068 84 3PZ 0.00990 -0.00970 0.00505 -0.00042 -0.00093 85 4XX 0.00040 0.00001 -0.00053 0.00062 -0.00001 86 4YY -0.00069 0.00107 0.00012 -0.00003 0.00002 87 4ZZ -0.00056 -0.00031 -0.00005 -0.00033 0.00005 88 4XY 0.00463 -0.00194 -0.00116 0.00120 0.00000 89 4XZ 0.00011 -0.00013 0.00039 -0.00022 -0.00002 90 4YZ -0.00370 0.00131 0.00093 -0.00145 0.00016 91 7 H 1S 0.04708 -0.02419 -0.01251 0.01497 -0.00086 92 2S 0.09270 -0.04834 -0.00786 0.02800 -0.00043 93 8 H 1S 0.10546 0.03151 -0.03654 -0.09450 -0.00584 94 2S -0.00504 0.02654 -0.02874 -0.08269 -0.00314 95 9 H 1S -0.04534 -0.00543 -0.01707 0.01129 0.00164 96 2S -0.01962 -0.01279 -0.01231 0.01887 0.00256 97 10 H 1S -0.01000 0.00500 0.00526 -0.00614 0.00041 98 2S -0.04540 0.00810 -0.00399 -0.01179 0.00073 99 11 O 1S 0.00345 0.00391 -0.00105 -0.00360 -0.00036 100 2S -0.02145 -0.00445 -0.00276 0.00154 0.00082 101 2PX -0.28216 0.02969 -0.03485 -0.08955 -0.00490 102 2PY -0.10208 0.04637 -0.01465 -0.04551 -0.00025 103 2PZ 0.17685 -0.06143 0.02793 -0.02402 -0.00586 104 3S -0.00344 -0.01715 0.01014 0.01357 0.00035 105 3PX -0.20649 0.02083 -0.01882 -0.06776 -0.00318 106 3PY -0.05004 0.02432 -0.00428 -0.02228 -0.00036 107 3PZ 0.13147 -0.05343 0.01802 -0.01790 -0.00373 108 4XX 0.00107 0.00022 -0.00048 0.00069 -0.00005 109 4YY -0.00565 0.00265 -0.00154 -0.00250 0.00015 110 4ZZ 0.00258 -0.00073 0.00054 0.00000 -0.00006 111 4XY -0.00852 -0.00020 -0.00332 -0.00236 -0.00027 112 4XZ -0.00044 -0.00012 0.00050 -0.00018 -0.00004 113 4YZ 0.00407 0.00030 0.00209 -0.00207 -0.00038 114 12 O 1S -0.00299 -0.00100 -0.00274 0.00128 0.00016 115 2S 0.01185 0.00187 0.00921 -0.00285 -0.00031 116 2PX 0.11515 -0.00502 0.09752 -0.00274 -0.00015 117 2PY -0.06082 0.00085 -0.03942 0.00013 0.00006 118 2PZ -0.10179 -0.02684 -0.05304 -0.01340 0.00198 119 3S 0.01786 0.00118 0.01362 0.00406 -0.00082 120 3PX 0.08269 -0.00647 0.07050 -0.00125 -0.00002 121 3PY -0.03560 0.00039 -0.02430 -0.00202 0.00018 122 3PZ -0.07824 -0.01817 -0.03762 -0.01220 0.00156 123 4XX -0.00140 0.00009 -0.00089 -0.00038 0.00001 124 4YY 0.00239 0.00020 0.00124 -0.00012 0.00005 125 4ZZ -0.00220 -0.00031 -0.00096 -0.00050 0.00001 126 4XY -0.00422 -0.00008 -0.00360 0.00022 -0.00001 127 4XZ 0.00032 -0.00025 0.00041 -0.00024 -0.00002 128 4YZ 0.00302 0.00163 0.00179 0.00028 -0.00006 129 13 C 1S 0.01132 0.00933 -0.00103 0.00532 -0.00110 130 2S -0.02600 -0.01957 0.00482 -0.01392 0.00241 131 2PX 0.04557 0.03072 -0.00879 0.02629 -0.00588 132 2PY -0.01970 -0.01281 -0.02082 -0.00120 -0.00299 133 2PZ 0.02455 -0.00384 -0.01041 -0.00301 -0.00095 134 3S -0.04262 -0.03226 0.00677 -0.02704 0.00244 135 3PX 0.01795 0.00392 -0.00233 0.01018 -0.00244 136 3PY 0.00167 -0.00187 -0.00638 0.00393 -0.00130 137 3PZ 0.01478 0.00376 -0.01217 -0.00409 -0.00074 138 4XX 0.00441 0.00530 -0.00139 0.00394 -0.00025 139 4YY -0.00103 -0.00296 0.00010 -0.00168 0.00014 140 4ZZ -0.00203 -0.00169 0.00060 -0.00134 0.00001 141 4XY 0.00153 0.00339 0.00117 0.00207 0.00022 142 4XZ 0.00314 0.00313 -0.00054 0.00183 -0.00023 143 4YZ -0.00089 0.00241 -0.00089 0.00095 0.00000 144 14 H 1S 0.03069 0.02505 -0.00853 0.01933 -0.00295 145 2S 0.04334 0.05003 -0.01363 0.03534 -0.00300 146 15 H 1S -0.02619 -0.00766 0.00890 -0.00704 0.00112 147 2S -0.01350 -0.00232 0.00214 -0.00735 0.00019 148 16 C 1S 0.01162 0.00323 0.00051 -0.00528 -0.00161 149 2S 0.00481 0.00072 0.00843 0.01773 0.00332 150 2PX -0.04418 -0.10039 0.01520 -0.08464 0.00068 151 2PY 0.02571 0.02749 0.02094 0.00965 0.00244 152 2PZ -0.01700 -0.07728 0.01394 -0.04385 -0.00551 153 3S 0.00318 -0.00460 0.00893 0.02819 0.00359 154 3PX 0.00262 -0.06342 0.01291 -0.04703 -0.00063 155 3PY -0.00216 0.00853 0.00842 0.00269 0.00055 156 3PZ -0.01296 -0.05430 0.00659 -0.02933 -0.00312 157 4XX 0.00543 0.00434 -0.00097 0.00415 -0.00007 158 4YY -0.00607 -0.00377 -0.00036 -0.00237 0.00017 159 4ZZ 0.00096 0.00181 -0.00017 -0.00120 -0.00022 160 4XY -0.00078 -0.00120 -0.00039 -0.00181 0.00015 161 4XZ 0.00686 0.00550 -0.00277 0.00272 -0.00018 162 4YZ -0.00094 -0.00223 -0.00081 -0.00068 -0.00015 163 17 H 1S -0.02527 -0.02391 -0.00797 -0.00666 0.00054 164 2S -0.05172 -0.02923 -0.00564 -0.02353 -0.00085 165 18 C 1S 0.00227 0.00502 -0.00170 0.00486 0.00017 166 2S -0.00360 -0.01517 0.00739 -0.00991 -0.00129 167 2PX 0.05403 0.01350 -0.02294 0.00941 -0.00200 168 2PY -0.00203 0.00199 -0.00547 0.00439 0.00034 169 2PZ 0.02231 0.03491 -0.02252 0.00732 0.00163 170 3S 0.02155 0.02079 0.01317 0.01155 0.00004 171 3PX 0.04599 0.02325 -0.02089 0.01310 -0.00108 172 3PY 0.00728 0.00853 0.00347 0.01351 0.00117 173 3PZ 0.01106 0.00914 -0.01449 0.00483 0.00017 174 4XX -0.00015 -0.00096 -0.00013 -0.00119 -0.00002 175 4YY -0.00199 -0.00099 -0.00062 -0.00148 0.00000 176 4ZZ 0.00137 0.00227 0.00037 0.00200 0.00018 177 4XY 0.00223 0.00497 -0.00139 0.00292 0.00009 178 4XZ 0.00185 0.00355 -0.00078 0.00363 -0.00003 179 4YZ 0.00198 0.00045 -0.00044 0.00173 -0.00010 180 19 H 1S -0.00285 0.00920 -0.00006 -0.00399 0.00094 181 2S -0.00007 0.01113 0.00068 -0.00217 0.00134 182 20 C 1S 0.00585 0.00582 0.00008 0.00987 -0.00030 183 2S -0.02950 -0.01971 -0.00986 -0.02344 0.00049 184 2PX 0.00524 0.01305 0.01349 0.00970 0.00110 185 2PY 0.04811 0.02308 0.02427 0.01379 -0.00047 186 2PZ -0.00712 0.03457 0.01059 0.00516 0.00068 187 3S -0.02103 -0.03048 -0.00241 -0.03001 0.00077 188 3PX -0.00958 0.01951 0.00334 0.01332 0.00061 189 3PY 0.00691 0.00694 -0.00331 -0.00113 -0.00032 190 3PZ 0.00697 0.03542 0.01573 0.01295 0.00076 191 4XX 0.00123 0.00097 -0.00152 0.00147 -0.00023 192 4YY 0.00115 -0.00133 0.00195 -0.00071 0.00018 193 4ZZ 0.00039 0.00244 -0.00090 0.00163 0.00001 194 4XY 0.00136 0.00119 0.00147 0.00069 -0.00005 195 4XZ 0.00343 0.00477 -0.00175 0.00369 -0.00002 196 4YZ -0.00067 -0.00034 0.00018 0.00011 0.00004 197 21 H 1S 0.01867 0.00030 0.01550 -0.00255 0.00021 198 2S 0.02947 0.00649 0.02941 0.00585 0.00043 199 22 C 1S 0.00794 0.00019 0.00234 0.00329 -0.00004 200 2S -0.01503 0.00066 -0.00355 -0.00644 0.00018 201 2PX 0.04855 0.08306 -0.02551 0.05111 0.00060 202 2PY -0.00143 0.00643 0.00521 -0.00102 0.00068 203 2PZ 0.04925 0.02850 -0.00782 0.03335 0.00022 204 3S -0.03041 -0.01605 -0.02259 -0.01710 -0.00157 205 3PX 0.03792 0.06277 -0.02113 0.04480 0.00048 206 3PY 0.00721 0.01166 0.00778 0.01033 0.00099 207 3PZ 0.03565 0.03454 -0.00114 0.02767 0.00069 208 4XX 0.00100 0.00056 0.00057 0.00065 0.00002 209 4YY 0.00134 -0.00038 0.00090 0.00004 -0.00004 210 4ZZ -0.00131 -0.00096 -0.00089 -0.00073 0.00005 211 4XY -0.00232 -0.00003 0.00142 -0.00023 0.00008 212 4XZ 0.00135 0.00053 -0.00021 0.00100 -0.00009 213 4YZ -0.00085 -0.00182 0.00073 -0.00022 -0.00002 214 23 H 1S 0.00457 -0.00439 0.00086 0.00085 0.00014 215 2S -0.00131 -0.01419 -0.00006 -0.00519 -0.00022 41 42 43 44 45 41 4YY 0.00103 42 4ZZ -0.00030 0.00101 43 4XY -0.00002 -0.00031 0.00089 44 4XZ 0.00026 -0.00009 -0.00024 0.00065 45 4YZ -0.00015 0.00035 -0.00027 -0.00016 0.00115 46 4 C 1S -0.00673 0.00246 0.00027 -0.00059 0.00057 47 2S 0.01131 -0.00599 -0.00060 0.00109 -0.00088 48 2PX -0.00060 -0.00074 0.01234 -0.00132 -0.00032 49 2PY -0.00733 0.00984 0.00108 -0.00146 -0.00053 50 2PZ -0.00006 -0.00150 0.00043 -0.00063 0.01244 51 3S 0.01373 -0.00534 -0.00064 0.00207 0.00022 52 3PX 0.00018 -0.00123 0.00831 -0.00149 0.00114 53 3PY -0.00400 0.00292 0.00072 -0.00108 0.00047 54 3PZ 0.00004 -0.00042 0.00167 -0.00090 0.00683 55 4XX -0.00037 0.00025 0.00000 -0.00007 0.00020 56 4YY 0.00004 -0.00022 -0.00003 -0.00011 0.00012 57 4ZZ -0.00026 0.00037 0.00027 -0.00005 -0.00028 58 4XY 0.00001 -0.00029 0.00041 -0.00027 -0.00038 59 4XZ -0.00014 -0.00003 0.00023 -0.00005 0.00021 60 4YZ -0.00007 0.00030 -0.00038 -0.00016 0.00086 61 5 C 1S -0.00064 -0.00054 0.00149 -0.00019 -0.00120 62 2S 0.00105 0.00136 -0.00313 0.00045 0.00250 63 2PX 0.00172 0.00136 -0.00325 -0.00013 0.00535 64 2PY -0.00145 -0.00023 0.00400 -0.00012 -0.00264 65 2PZ -0.00140 -0.00095 0.00542 -0.00114 -0.00120 66 3S -0.00045 0.00217 -0.00255 0.00016 0.00308 67 3PX 0.00004 0.00084 -0.00003 -0.00038 0.00128 68 3PY -0.00044 0.00105 0.00101 0.00004 -0.00065 69 3PZ -0.00008 -0.00050 0.00108 -0.00038 0.00026 70 4XX 0.00000 0.00001 0.00030 -0.00007 0.00020 71 4YY 0.00017 -0.00027 0.00000 0.00009 -0.00009 72 4ZZ -0.00005 0.00013 -0.00007 0.00000 -0.00031 73 4XY -0.00024 -0.00001 0.00021 0.00001 -0.00048 74 4XZ -0.00011 -0.00003 0.00005 0.00000 0.00013 75 4YZ 0.00024 -0.00004 -0.00058 0.00014 -0.00004 76 6 C 1S 0.00003 -0.00012 -0.00050 -0.00017 0.00031 77 2S -0.00004 -0.00010 0.00131 0.00023 -0.00075 78 2PX -0.00082 0.00111 0.00154 -0.00134 -0.00063 79 2PY -0.00112 0.00003 0.00118 -0.00116 -0.00127 80 2PZ 0.00035 0.00143 -0.00081 -0.00073 0.00139 81 3S -0.00052 0.00027 0.00282 0.00049 -0.00232 82 3PX -0.00042 0.00067 0.00097 -0.00055 -0.00083 83 3PY -0.00032 -0.00019 0.00158 -0.00076 -0.00103 84 3PZ 0.00007 0.00069 -0.00045 -0.00047 0.00106 85 4XX 0.00002 0.00002 -0.00001 -0.00003 0.00012 86 4YY -0.00003 0.00004 0.00004 -0.00003 0.00000 87 4ZZ 0.00002 -0.00001 -0.00011 0.00001 -0.00002 88 4XY 0.00003 -0.00017 0.00017 0.00010 -0.00010 89 4XZ -0.00001 0.00000 0.00011 0.00001 -0.00004 90 4YZ -0.00002 0.00000 -0.00010 -0.00003 0.00012 91 7 H 1S 0.00074 -0.00142 0.00122 0.00075 -0.00101 92 2S -0.00059 -0.00220 0.00198 -0.00004 -0.00185 93 8 H 1S -0.00457 0.00897 -0.00430 -0.00477 0.01157 94 2S -0.00350 0.00819 -0.00443 -0.00282 0.00966 95 9 H 1S 0.00175 0.00061 0.00294 0.00013 -0.00815 96 2S -0.00115 0.00113 0.00299 -0.00014 -0.00753 97 10 H 1S 0.00000 0.00041 -0.00077 -0.00023 0.00055 98 2S 0.00004 0.00100 -0.00244 -0.00023 0.00152 99 11 O 1S -0.00119 -0.00001 -0.00036 0.00009 0.00031 100 2S 0.00266 0.00051 0.00065 0.00030 -0.00057 101 2PX 0.00726 0.00255 0.00027 -0.00245 -0.00296 102 2PY 0.00737 -0.00135 0.00513 0.00309 -0.00329 103 2PZ -0.00277 0.00499 -0.00310 -0.00398 -0.00152 104 3S 0.00258 -0.00093 -0.00076 -0.00070 0.00017 105 3PX 0.00517 0.00165 -0.00039 -0.00151 -0.00140 106 3PY 0.00417 -0.00134 0.00269 0.00166 -0.00174 107 3PZ -0.00214 0.00293 -0.00167 -0.00296 -0.00101 108 4XX -0.00013 0.00009 -0.00009 0.00005 0.00001 109 4YY 0.00028 -0.00003 0.00045 0.00009 -0.00024 110 4ZZ -0.00016 0.00011 -0.00013 0.00003 0.00010 111 4XY 0.00028 0.00008 0.00020 -0.00022 -0.00035 112 4XZ 0.00005 0.00001 -0.00003 0.00001 -0.00006 113 4YZ -0.00005 0.00042 -0.00033 -0.00014 -0.00005 114 12 O 1S 0.00014 0.00018 -0.00001 -0.00007 0.00005 115 2S -0.00013 -0.00014 0.00022 0.00027 -0.00007 116 2PX 0.00038 -0.00182 0.00062 0.00050 -0.00328 117 2PY 0.00005 0.00006 -0.00142 -0.00027 0.00083 118 2PZ 0.00009 0.00122 -0.00373 0.00116 -0.00080 119 3S 0.00053 -0.00194 -0.00049 0.00008 -0.00002 120 3PX 0.00024 -0.00159 0.00054 0.00045 -0.00288 121 3PY -0.00022 0.00055 -0.00063 -0.00010 0.00047 122 3PZ 0.00013 0.00100 -0.00322 0.00098 -0.00063 123 4XX -0.00002 0.00006 0.00005 0.00000 0.00003 124 4YY -0.00003 0.00011 0.00004 0.00002 0.00000 125 4ZZ -0.00001 0.00007 0.00000 0.00002 -0.00003 126 4XY -0.00004 0.00003 0.00006 -0.00002 -0.00001 127 4XZ 0.00001 -0.00002 -0.00001 0.00001 0.00002 128 4YZ 0.00002 -0.00002 0.00000 -0.00001 0.00007 129 13 C 1S 0.00031 0.00010 -0.00001 0.00002 0.00023 130 2S -0.00098 -0.00061 -0.00010 0.00015 -0.00019 131 2PX 0.00146 0.00160 -0.00019 -0.00112 0.00051 132 2PY 0.00087 0.00163 -0.00106 -0.00042 0.00021 133 2PZ 0.00014 0.00068 0.00016 0.00066 0.00085 134 3S -0.00092 -0.00030 -0.00046 -0.00107 -0.00095 135 3PX 0.00040 0.00090 -0.00042 0.00012 0.00007 136 3PY 0.00008 0.00090 -0.00111 0.00039 0.00025 137 3PZ -0.00009 0.00099 0.00015 -0.00078 0.00045 138 4XX -0.00003 0.00015 0.00015 0.00015 0.00018 139 4YY 0.00002 -0.00007 -0.00014 0.00001 -0.00009 140 4ZZ -0.00001 0.00002 -0.00005 -0.00015 -0.00009 141 4XY -0.00011 0.00001 -0.00029 0.00026 -0.00018 142 4XZ 0.00010 0.00000 0.00003 -0.00002 0.00007 143 4YZ 0.00000 0.00008 -0.00025 0.00009 -0.00010 144 14 H 1S 0.00043 0.00101 0.00047 -0.00010 0.00088 145 2S 0.00054 0.00080 0.00142 0.00028 0.00153 146 15 H 1S -0.00033 -0.00044 -0.00023 -0.00072 -0.00074 147 2S -0.00014 0.00019 -0.00019 -0.00143 -0.00056 148 16 C 1S 0.00017 -0.00035 0.00111 -0.00156 0.00093 149 2S -0.00162 -0.00009 -0.00243 0.00409 -0.00191 150 2PX 0.00264 -0.00422 0.00361 -0.00579 0.00214 151 2PY -0.00307 0.00165 0.00166 0.00211 0.00109 152 2PZ 0.00132 0.00188 0.00302 -0.00263 0.00204 153 3S -0.00136 -0.00088 -0.00291 0.00599 -0.00304 154 3PX 0.00123 -0.00221 0.00271 -0.00380 0.00229 155 3PY -0.00061 0.00011 0.00061 0.00152 0.00078 156 3PZ 0.00170 -0.00061 0.00337 -0.00243 0.00121 157 4XX -0.00012 0.00007 0.00009 -0.00002 -0.00008 158 4YY 0.00016 -0.00019 -0.00011 -0.00001 -0.00008 159 4ZZ 0.00001 0.00020 0.00010 -0.00018 0.00029 160 4XY -0.00010 0.00005 0.00006 -0.00013 0.00004 161 4XZ -0.00001 0.00001 0.00015 -0.00017 0.00026 162 4YZ 0.00003 0.00011 -0.00005 -0.00006 -0.00003 163 17 H 1S 0.00155 -0.00182 -0.00196 0.00013 -0.00147 164 2S 0.00239 -0.00161 -0.00089 -0.00099 -0.00026 165 18 C 1S -0.00027 -0.00099 0.00008 -0.00006 -0.00013 166 2S -0.00001 0.00136 0.00009 0.00017 0.00054 167 2PX 0.00176 -0.00229 0.00513 -0.00479 0.00327 168 2PY 0.00027 -0.00068 -0.00074 -0.00073 -0.00029 169 2PZ 0.00171 -0.00360 0.00170 -0.00336 0.00102 170 3S -0.00126 0.00192 -0.00154 0.00076 -0.00041 171 3PX 0.00095 -0.00161 0.00367 -0.00350 0.00261 172 3PY -0.00033 -0.00058 -0.00078 0.00061 -0.00156 173 3PZ 0.00128 -0.00222 0.00233 -0.00165 0.00126 174 4XX 0.00007 -0.00008 0.00007 -0.00016 0.00004 175 4YY 0.00011 -0.00007 -0.00005 -0.00012 -0.00001 176 4ZZ -0.00015 0.00008 -0.00008 0.00028 -0.00005 177 4XY 0.00000 -0.00003 -0.00004 -0.00001 -0.00010 178 4XZ -0.00003 0.00001 -0.00005 0.00011 -0.00009 179 4YZ 0.00001 0.00001 -0.00004 0.00003 -0.00002 180 19 H 1S 0.00013 -0.00035 -0.00003 -0.00003 -0.00002 181 2S -0.00017 -0.00033 -0.00046 -0.00003 -0.00070 182 20 C 1S -0.00011 -0.00019 -0.00050 0.00021 -0.00054 183 2S 0.00013 0.00046 0.00080 -0.00069 0.00072 184 2PX -0.00001 0.00035 -0.00747 0.00240 -0.00491 185 2PY -0.00013 0.00005 -0.00184 0.00067 -0.00083 186 2PZ -0.00005 0.00092 -0.00440 0.00148 -0.00380 187 3S 0.00027 -0.00027 0.00068 -0.00039 0.00158 188 3PX 0.00034 0.00030 -0.00487 0.00196 -0.00344 189 3PY -0.00039 0.00075 -0.00058 -0.00077 0.00015 190 3PZ 0.00021 0.00003 -0.00376 0.00215 -0.00227 191 4XX 0.00006 0.00003 0.00017 -0.00006 0.00027 192 4YY -0.00014 0.00000 -0.00014 0.00012 -0.00006 193 4ZZ 0.00002 -0.00002 0.00008 -0.00009 -0.00018 194 4XY 0.00004 -0.00006 0.00002 0.00009 0.00003 195 4XZ 0.00010 -0.00012 0.00027 -0.00005 0.00005 196 4YZ 0.00002 -0.00009 0.00009 0.00004 0.00005 197 21 H 1S -0.00013 0.00004 -0.00142 0.00053 -0.00047 198 2S -0.00005 -0.00056 -0.00176 0.00150 -0.00149 199 22 C 1S -0.00018 -0.00030 0.00016 0.00026 0.00013 200 2S 0.00028 0.00029 -0.00066 -0.00033 -0.00084 201 2PX 0.00121 -0.00165 -0.00012 -0.00127 -0.00164 202 2PY -0.00055 0.00040 0.00004 0.00109 -0.00064 203 2PZ 0.00042 -0.00167 0.00063 -0.00031 0.00054 204 3S 0.00075 0.00077 0.00120 -0.00242 0.00064 205 3PX 0.00071 -0.00120 0.00053 -0.00075 -0.00103 206 3PY -0.00054 -0.00002 -0.00037 0.00111 -0.00149 207 3PZ 0.00025 -0.00116 -0.00032 0.00049 -0.00027 208 4XX 0.00001 -0.00002 -0.00014 0.00005 -0.00010 209 4YY -0.00001 0.00003 -0.00004 0.00002 -0.00001 210 4ZZ -0.00003 0.00000 0.00020 -0.00003 0.00011 211 4XY -0.00005 0.00009 -0.00032 0.00023 -0.00022 212 4XZ 0.00001 -0.00004 0.00019 -0.00004 0.00019 213 4YZ -0.00008 0.00011 -0.00005 0.00015 -0.00002 214 23 H 1S -0.00021 0.00002 0.00033 0.00036 0.00020 215 2S -0.00025 0.00030 0.00061 0.00014 0.00075 46 47 48 49 50 46 4 C 1S 2.05541 47 2S -0.05731 0.31422 48 2PX 0.00386 -0.01248 0.36522 49 2PY -0.00291 -0.00093 -0.00623 0.41329 50 2PZ 0.00389 -0.00999 -0.03240 -0.00943 0.38868 51 3S -0.23863 0.34303 -0.02156 0.07510 0.06976 52 3PX 0.00135 0.00222 0.22181 -0.00322 0.02445 53 3PY 0.00661 -0.00150 0.00802 0.13618 0.01116 54 3PZ -0.01662 0.00609 0.02837 0.01559 0.20161 55 4XX -0.01312 -0.00976 -0.00299 0.00629 0.00556 56 4YY -0.01592 -0.00261 0.00015 -0.01420 0.00040 57 4ZZ -0.01579 -0.00344 0.00731 0.01136 -0.00894 58 4XY 0.00033 -0.00074 0.00544 -0.00462 -0.00846 59 4XZ 0.00341 -0.00708 0.00585 -0.00677 0.00373 60 4YZ 0.00216 -0.00422 -0.00783 -0.00183 0.01217 61 5 C 1S 0.01420 -0.02979 0.05068 -0.03725 -0.03896 62 2S -0.03015 0.05448 -0.10743 0.08292 0.08399 63 2PX -0.05015 0.10092 -0.10239 0.11946 0.15204 64 2PY 0.03501 -0.06151 0.11801 -0.07114 -0.08452 65 2PZ 0.03586 -0.07057 0.15966 -0.08136 -0.03770 66 3S 0.01106 0.00988 -0.08900 0.06817 0.06562 67 3PX 0.00712 0.00182 0.00622 0.01272 0.01985 68 3PY -0.01187 -0.00484 0.03265 0.01908 -0.02267 69 3PZ -0.00510 0.00230 0.02813 -0.00599 0.01569 70 4XX -0.00230 0.00301 0.00862 0.00620 0.00515 71 4YY 0.00078 -0.00209 0.00044 -0.01277 -0.00187 72 4ZZ -0.00098 0.00041 -0.00118 0.00266 -0.00980 73 4XY 0.00601 -0.01097 0.00748 -0.00524 -0.01298 74 4XZ 0.00327 -0.00575 0.00162 -0.00592 0.00264 75 4YZ -0.00500 0.00945 -0.01454 0.00421 0.00096 76 6 C 1S -0.00570 0.01178 -0.01722 0.00664 0.01293 77 2S 0.01224 -0.02468 0.04201 -0.01379 -0.02694 78 2PX 0.01580 -0.03521 0.04217 -0.02410 -0.03922 79 2PY 0.00706 -0.01610 0.02248 -0.01596 -0.01890 80 2PZ -0.01380 0.03029 -0.04351 0.01657 0.02579 81 3S 0.01966 -0.05534 0.09498 -0.03851 -0.07790 82 3PX 0.00552 -0.01804 0.02322 -0.01061 -0.03432 83 3PY 0.01146 -0.01071 0.04202 -0.01584 -0.02771 84 3PZ -0.00474 0.01469 -0.02796 0.00529 0.01509 85 4XX -0.00092 0.00169 -0.00154 0.00176 0.00465 86 4YY 0.00021 -0.00023 0.00277 -0.00037 -0.00119 87 4ZZ -0.00054 0.00099 -0.00409 0.00074 0.00025 88 4XY 0.00065 -0.00124 0.00249 -0.00057 -0.00102 89 4XZ 0.00063 -0.00112 0.00375 -0.00118 -0.00220 90 4YZ -0.00063 0.00119 -0.00066 0.00085 0.00209 91 7 H 1S 0.00097 -0.00129 -0.00048 -0.00933 -0.00347 92 2S 0.00684 -0.01093 0.00420 -0.00777 -0.01245 93 8 H 1S 0.01185 -0.02611 -0.00929 0.03751 0.01324 94 2S 0.01515 -0.02879 -0.02006 0.06094 0.02672 95 9 H 1S -0.05908 0.11358 0.08909 0.11980 -0.21895 96 2S -0.01054 0.02502 0.07824 0.09007 -0.18633 97 10 H 1S -0.00689 0.01392 -0.02121 0.00938 0.01704 98 2S -0.01527 0.02765 -0.05753 0.02636 0.03861 99 11 O 1S 0.00112 -0.00264 0.00131 0.00593 -0.00082 100 2S -0.00241 0.00531 -0.00275 -0.01296 -0.00031 101 2PX -0.00889 0.01260 -0.01147 -0.04256 -0.00507 102 2PY -0.00648 0.01811 -0.00527 -0.03272 0.00295 103 2PZ 0.00895 -0.01226 -0.01921 0.01280 -0.00947 104 3S -0.00775 0.01551 -0.00956 -0.03951 0.01451 105 3PX -0.00635 0.01031 -0.01231 -0.03505 -0.00039 106 3PY -0.00442 0.01288 -0.00419 -0.02719 0.00621 107 3PZ 0.00714 -0.01076 -0.01379 0.01003 -0.00986 108 4XX 0.00013 -0.00072 0.00055 0.00159 -0.00081 109 4YY 0.00021 -0.00002 0.00033 0.00052 -0.00033 110 4ZZ 0.00015 -0.00071 0.00000 0.00120 -0.00098 111 4XY 0.00001 -0.00008 -0.00023 -0.00059 -0.00043 112 4XZ -0.00018 0.00033 -0.00038 -0.00083 -0.00027 113 4YZ 0.00011 -0.00002 -0.00096 0.00000 -0.00021 114 12 O 1S -0.00291 0.00533 -0.00236 0.01055 0.00172 115 2S 0.00556 -0.01207 0.00846 -0.02370 -0.00619 116 2PX 0.02667 -0.04287 0.02245 -0.06027 -0.06345 117 2PY -0.01354 0.02112 -0.03040 0.03856 0.02138 118 2PZ -0.02128 0.04319 -0.06911 0.04656 -0.00787 119 3S 0.01179 -0.00496 -0.00709 -0.05689 0.00684 120 3PX 0.02106 -0.03661 0.01800 -0.05310 -0.05690 121 3PY -0.00834 0.00955 -0.01312 0.03189 0.00767 122 3PZ -0.01650 0.03472 -0.06413 0.03900 -0.00836 123 4XX -0.00085 0.00000 0.00147 0.00182 0.00019 124 4YY -0.00015 -0.00060 0.00022 0.00147 -0.00009 125 4ZZ -0.00097 0.00003 0.00013 0.00139 -0.00149 126 4XY 0.00015 -0.00062 0.00183 -0.00102 -0.00153 127 4XZ 0.00001 -0.00026 -0.00026 -0.00119 0.00040 128 4YZ -0.00008 -0.00011 -0.00164 0.00043 0.00161 129 13 C 1S -0.00311 0.00556 0.01209 -0.00133 0.00365 130 2S 0.00612 -0.01223 -0.03032 0.00499 -0.00868 131 2PX -0.00925 0.01857 0.03644 -0.00539 0.01703 132 2PY 0.00030 -0.00441 -0.00369 -0.00604 0.01130 133 2PZ -0.00291 0.00513 0.00632 0.00533 -0.01104 134 3S 0.01215 -0.02455 -0.05622 0.01018 -0.02403 135 3PX -0.00482 0.00816 0.00503 -0.00099 0.00824 136 3PY 0.00150 -0.00389 -0.01012 -0.00334 0.00549 137 3PZ -0.00317 0.00385 0.00815 0.01968 -0.01305 138 4XX -0.00109 0.00180 0.00827 0.00118 0.00382 139 4YY 0.00029 -0.00066 -0.00320 -0.00023 -0.00149 140 4ZZ 0.00031 -0.00065 -0.00380 0.00030 -0.00168 141 4XY 0.00046 -0.00045 -0.00534 0.00033 -0.00334 142 4XZ -0.00075 0.00169 0.00403 -0.00087 0.00141 143 4YZ 0.00028 -0.00073 -0.00347 -0.00022 -0.00147 144 14 H 1S -0.00616 0.01122 0.03628 0.00278 0.01570 145 2S -0.00866 0.01680 0.07541 0.00318 0.03561 146 15 H 1S 0.00447 -0.00774 -0.02124 -0.00185 -0.00294 147 2S 0.00094 -0.00180 -0.01338 0.00727 -0.01012 148 16 C 1S -0.00190 0.00279 0.01070 -0.00323 0.00739 149 2S 0.00528 -0.00512 -0.02461 0.01145 -0.01773 150 2PX -0.00197 0.00612 0.00675 -0.02684 0.00566 151 2PY 0.00659 -0.01032 -0.02063 0.01920 -0.01300 152 2PZ -0.00240 0.00790 0.01856 -0.01530 0.01463 153 3S -0.00003 -0.00257 -0.04216 -0.00046 -0.02349 154 3PX -0.00053 0.00418 0.01980 -0.02207 0.01688 155 3PY -0.00092 -0.00131 -0.00663 -0.01209 0.00780 156 3PZ -0.00518 0.00967 0.03507 -0.02717 0.02196 157 4XX -0.00032 0.00025 0.00210 0.00148 0.00065 158 4YY -0.00017 -0.00003 -0.00126 -0.00109 -0.00057 159 4ZZ -0.00016 0.00045 0.00195 0.00105 0.00218 160 4XY 0.00084 -0.00121 -0.00211 0.00290 -0.00150 161 4XZ -0.00073 0.00115 0.00620 0.00088 0.00479 162 4YZ 0.00019 -0.00028 -0.00070 0.00122 -0.00074 163 17 H 1S -0.00221 0.00387 -0.00243 -0.01325 -0.00241 164 2S -0.00420 0.00560 0.00589 -0.03025 0.00971 165 18 C 1S -0.00103 0.00051 0.00281 -0.00080 0.00205 166 2S 0.00156 0.00001 -0.00617 -0.00046 -0.00274 167 2PX -0.01126 0.02573 0.08215 0.00709 0.07565 168 2PY 0.00148 -0.00268 -0.00988 -0.00060 -0.00916 169 2PZ -0.00713 0.01131 0.04079 -0.00137 0.03474 170 3S 0.00399 -0.00563 -0.02343 0.01939 -0.02877 171 3PX -0.00793 0.01676 0.06727 0.01072 0.06383 172 3PY 0.00081 -0.00295 -0.01555 0.00218 -0.02534 173 3PZ -0.00744 0.01263 0.04284 -0.00702 0.03971 174 4XX -0.00038 0.00060 0.00038 -0.00067 0.00065 175 4YY -0.00014 0.00003 -0.00009 -0.00073 -0.00056 176 4ZZ 0.00004 -0.00023 -0.00081 0.00134 -0.00018 177 4XY -0.00021 0.00048 -0.00030 0.00138 -0.00032 178 4XZ -0.00027 0.00038 0.00137 0.00021 0.00128 179 4YZ -0.00007 0.00071 0.00055 0.00028 0.00106 180 19 H 1S -0.00008 -0.00093 -0.00070 -0.00030 -0.00206 181 2S 0.00124 -0.00407 -0.00983 0.00195 -0.01382 182 20 C 1S -0.00091 0.00086 -0.01296 -0.00066 -0.01109 183 2S 0.00059 -0.01361 0.02193 0.00100 0.01804 184 2PX 0.01614 -0.02492 -0.16395 -0.03232 -0.10152 185 2PY 0.00304 -0.00238 -0.02308 -0.01281 -0.00977 186 2PZ 0.00852 -0.01519 -0.09062 -0.01758 -0.07850 187 3S 0.01225 -0.00900 0.02151 -0.00811 0.03669 188 3PX -0.00082 -0.00389 -0.10084 -0.01705 -0.06540 189 3PY -0.00069 -0.00489 -0.00850 0.01138 -0.00123 190 3PZ 0.00278 -0.00380 -0.07351 -0.02321 -0.04107 191 4XX -0.00156 0.00300 0.00485 0.00214 0.00654 192 4YY 0.00090 -0.00284 -0.00480 -0.00161 -0.00239 193 4ZZ -0.00069 0.00057 0.00230 0.00100 -0.00338 194 4XY -0.00007 0.00061 0.00186 -0.00285 0.00153 195 4XZ -0.00178 0.00424 0.00733 0.00271 0.00259 196 4YZ -0.00025 0.00066 0.00157 -0.00115 0.00165 197 21 H 1S 0.00516 -0.01059 -0.02320 -0.01458 -0.00705 198 2S 0.00785 -0.01155 -0.03397 -0.03006 -0.02742 199 22 C 1S -0.00174 0.00245 0.00245 0.00084 0.00632 200 2S 0.00228 -0.00643 -0.01046 -0.00380 -0.02172 201 2PX -0.00741 0.01742 0.00183 0.00933 0.00297 202 2PY 0.00103 -0.00339 -0.00132 -0.00141 -0.00786 203 2PZ -0.00591 0.01784 0.01332 0.00536 0.02675 204 3S 0.00112 -0.00433 0.02823 0.00774 0.00691 205 3PX -0.00795 0.01763 0.01679 0.01544 0.01214 206 3PY -0.00124 -0.00147 -0.00769 0.00021 -0.02571 207 3PZ -0.00438 0.01062 0.00220 -0.00162 0.01111 208 4XX -0.00041 0.00030 -0.00299 -0.00061 -0.00183 209 4YY -0.00015 0.00000 -0.00126 -0.00032 -0.00107 210 4ZZ -0.00058 0.00011 0.00414 0.00099 0.00269 211 4XY 0.00076 -0.00122 -0.00529 -0.00123 -0.00461 212 4XZ -0.00054 0.00121 0.00480 0.00042 0.00514 213 4YZ 0.00028 -0.00035 -0.00209 -0.00005 -0.00146 214 23 H 1S 0.00036 0.00086 0.00333 0.00027 0.00242 215 2S 0.00021 0.00190 0.00295 0.00319 0.00928 51 52 53 54 55 51 3S 0.56827 52 3PX -0.01233 0.15101 53 3PY -0.01733 0.00934 0.07520 54 3PZ 0.07900 0.03607 0.00882 0.12206 55 4XX -0.00778 -0.00109 0.00139 0.00275 0.00093 56 4YY -0.00697 0.00048 -0.00254 -0.00114 -0.00016 57 4ZZ -0.00243 0.00330 0.00293 -0.00355 0.00014 58 4XY -0.00271 0.00209 -0.00213 -0.00376 -0.00015 59 4XZ -0.00702 0.00296 -0.00213 0.00247 0.00015 60 4YZ -0.00453 -0.00326 -0.00068 0.00469 0.00033 61 5 C 1S 0.01974 0.00251 -0.01682 0.00282 -0.00251 62 2S 0.00011 -0.02035 0.02904 0.00916 0.00434 63 2PX 0.14201 -0.04938 0.06580 0.06208 -0.00373 64 2PY -0.12353 0.06623 0.00790 -0.05773 -0.00385 65 2PZ -0.10839 0.09642 -0.04276 -0.02474 -0.00308 66 3S -0.04855 -0.01732 0.01961 0.00259 0.00451 67 3PX -0.01466 0.00841 0.00810 0.00015 -0.00176 68 3PY 0.03207 0.00387 0.00076 0.00423 -0.00074 69 3PZ 0.00418 0.01798 -0.00123 0.00229 -0.00213 70 4XX 0.01070 0.00444 0.00127 0.00608 0.00007 71 4YY -0.00575 -0.00022 -0.00297 -0.00228 -0.00023 72 4ZZ 0.00308 -0.00317 -0.00052 -0.00340 -0.00020 73 4XY -0.02937 0.00449 0.00052 -0.00988 -0.00006 74 4XZ -0.00601 0.00054 -0.00170 0.00121 0.00006 75 4YZ 0.02099 -0.01064 -0.00093 -0.00123 -0.00041 76 6 C 1S 0.02884 -0.01207 0.00428 0.00668 -0.00049 77 2S -0.06512 0.03200 -0.00282 -0.01519 0.00094 78 2PX -0.11083 0.04556 -0.02777 -0.02355 0.00096 79 2PY -0.03469 0.01092 -0.00983 -0.00496 0.00154 80 2PZ 0.08572 -0.03663 0.02112 0.02279 -0.00471 81 3S -0.17288 0.05605 0.00754 -0.03627 0.00118 82 3PX -0.04348 0.01714 -0.01509 -0.01282 -0.00013 83 3PY 0.00096 0.02460 -0.01995 -0.01065 -0.00029 84 3PZ 0.02713 -0.01553 0.01077 0.00813 -0.00227 85 4XX 0.00250 -0.00043 0.00060 0.00215 -0.00001 86 4YY 0.00068 0.00151 0.00030 -0.00055 -0.00014 87 4ZZ 0.00168 -0.00254 0.00011 0.00017 0.00013 88 4XY -0.00522 0.00273 -0.00069 -0.00196 0.00015 89 4XZ -0.00105 0.00168 -0.00031 -0.00091 -0.00015 90 4YZ 0.00405 -0.00152 0.00096 0.00121 -0.00011 91 7 H 1S -0.01009 0.00467 -0.00542 -0.00610 0.00049 92 2S -0.04523 0.00817 0.00344 -0.01188 0.00098 93 8 H 1S -0.04477 -0.00459 0.01717 0.01116 0.00131 94 2S -0.01854 -0.01194 0.01278 0.01913 0.00219 95 9 H 1S 0.10540 0.03435 0.03331 -0.09391 -0.00521 96 2S -0.00492 0.02858 0.02604 -0.08230 -0.00243 97 10 H 1S 0.04706 -0.02315 0.01415 0.01495 -0.00100 98 2S 0.09300 -0.04749 0.01098 0.02811 -0.00066 99 11 O 1S -0.00302 -0.00082 0.00274 0.00119 0.00016 100 2S 0.01181 0.00132 -0.00916 -0.00277 -0.00034 101 2PX 0.12124 -0.00967 -0.09889 0.00051 -0.00027 102 2PY 0.05208 -0.00144 -0.03275 -0.00008 -0.00019 103 2PZ -0.09743 -0.02355 0.05375 -0.01280 0.00227 104 3S 0.01764 0.00067 -0.01338 0.00469 -0.00078 105 3PX 0.08687 -0.00971 -0.07105 0.00137 -0.00015 106 3PY 0.02941 -0.00044 -0.01950 0.00214 -0.00025 107 3PZ -0.07484 -0.01579 0.03810 -0.01167 0.00182 108 4XX -0.00088 0.00008 0.00046 -0.00042 0.00001 109 4YY 0.00185 0.00018 -0.00083 -0.00013 0.00004 110 4ZZ -0.00215 -0.00030 0.00097 -0.00055 0.00001 111 4XY 0.00453 -0.00007 -0.00371 -0.00007 0.00002 112 4XZ 0.00016 -0.00037 -0.00028 -0.00025 -0.00002 113 4YZ -0.00286 -0.00151 0.00186 -0.00024 0.00006 114 12 O 1S 0.00332 0.00412 0.00076 -0.00368 -0.00032 115 2S -0.02123 -0.00453 0.00321 0.00149 0.00075 116 2PX -0.27378 0.02444 0.03186 -0.08745 -0.00470 117 2PY 0.12107 -0.04948 -0.01417 0.05244 0.00108 118 2PZ 0.17829 -0.06446 -0.02530 -0.02419 -0.00546 119 3S -0.00338 -0.01844 -0.00887 0.01377 0.00041 120 3PX -0.20200 0.01692 0.01702 -0.06702 -0.00295 121 3PY 0.06391 -0.02598 -0.00410 0.02731 0.00084 122 3PZ 0.13260 -0.05576 -0.01569 -0.01830 -0.00350 123 4XX 0.00205 0.00029 0.00009 0.00097 -0.00001 124 4YY -0.00664 0.00275 0.00176 -0.00285 0.00007 125 4ZZ 0.00259 -0.00078 -0.00050 -0.00002 -0.00004 126 4XY 0.00789 0.00027 -0.00325 0.00211 0.00030 127 4XZ -0.00068 -0.00017 -0.00035 -0.00005 -0.00001 128 4YZ -0.00412 -0.00013 0.00218 0.00203 0.00034 129 13 C 1S 0.01112 0.00947 0.00060 0.00524 -0.00108 130 2S -0.02550 -0.02005 -0.00371 -0.01390 0.00238 131 2PX 0.04404 0.03251 0.00553 0.02512 -0.00553 132 2PY 0.01719 0.01006 -0.02194 0.00006 0.00296 133 2PZ 0.02439 -0.00275 0.01037 -0.00348 -0.00101 134 3S -0.04166 -0.03335 -0.00460 -0.02722 0.00246 135 3PX 0.01641 0.00381 0.00155 0.00900 -0.00225 136 3PY -0.00261 0.00174 -0.00679 -0.00432 0.00120 137 3PZ 0.01398 0.00475 0.01190 -0.00422 -0.00077 138 4XX 0.00401 0.00502 0.00125 0.00366 -0.00029 139 4YY -0.00069 -0.00259 -0.00013 -0.00143 0.00017 140 4ZZ -0.00207 -0.00177 -0.00046 -0.00133 0.00002 141 4XY -0.00211 -0.00412 0.00121 -0.00269 -0.00019 142 4XZ 0.00307 0.00298 0.00030 0.00170 -0.00024 143 4YZ 0.00066 -0.00270 -0.00080 -0.00113 -0.00001 144 14 H 1S 0.02890 0.02631 0.00712 0.01888 -0.00295 145 2S 0.04161 0.05252 0.01066 0.03568 -0.00310 146 15 H 1S -0.02601 -0.00844 -0.00829 -0.00679 0.00119 147 2S -0.01395 -0.00239 -0.00178 -0.00703 0.00026 148 16 C 1S 0.00665 0.00615 -0.00043 0.01061 -0.00029 149 2S -0.02917 -0.02003 0.01084 -0.02420 0.00048 150 2PX 0.00346 0.01002 -0.01219 0.00924 0.00178 151 2PY -0.04901 -0.02278 0.02664 -0.01468 0.00033 152 2PZ -0.00694 0.03416 -0.01149 0.00545 0.00096 153 3S -0.02156 -0.03362 0.00296 -0.03290 0.00076 154 3PX -0.00858 0.01937 -0.00362 0.01443 0.00099 155 3PY -0.00610 -0.00817 -0.00307 0.00050 0.00022 156 3PZ 0.00828 0.03615 -0.01664 0.01446 0.00095 157 4XX 0.00089 0.00087 0.00170 0.00125 -0.00023 158 4YY 0.00157 -0.00123 -0.00215 -0.00052 0.00018 159 4ZZ 0.00028 0.00253 0.00084 0.00167 0.00000 160 4XY -0.00155 -0.00137 0.00138 -0.00090 0.00010 161 4XZ 0.00330 0.00504 0.00156 0.00378 -0.00007 162 4YZ 0.00030 -0.00005 0.00008 -0.00043 -0.00002 163 17 H 1S 0.01964 -0.00059 -0.01637 -0.00254 0.00029 164 2S 0.03115 0.00564 -0.03073 0.00686 0.00049 165 18 C 1S 0.00808 0.00015 -0.00209 0.00342 -0.00008 166 2S -0.01517 0.00073 0.00327 -0.00667 0.00025 167 2PX 0.04621 0.08643 0.02274 0.05368 0.00034 168 2PY -0.00220 -0.01296 0.00233 -0.00360 -0.00069 169 2PZ 0.04829 0.02972 0.00659 0.03450 0.00006 170 3S -0.03297 -0.01661 0.02319 -0.01928 -0.00150 171 3PX 0.03567 0.06533 0.01933 0.04616 0.00022 172 3PY -0.01091 -0.01723 0.00641 -0.01503 -0.00096 173 3PZ 0.03558 0.03598 -0.00048 0.02905 0.00058 174 4XX 0.00130 0.00053 -0.00038 0.00068 0.00001 175 4YY 0.00112 -0.00043 -0.00109 0.00004 -0.00002 176 4ZZ -0.00130 -0.00089 0.00097 -0.00074 0.00004 177 4XY 0.00208 0.00001 0.00138 0.00015 -0.00011 178 4XZ 0.00135 0.00072 0.00020 0.00100 -0.00010 179 4YZ 0.00065 0.00175 0.00061 0.00009 0.00001 180 19 H 1S 0.00455 -0.00435 -0.00030 0.00110 0.00014 181 2S -0.00140 -0.01434 0.00110 -0.00505 -0.00019 182 20 C 1S 0.01166 0.00342 -0.00055 -0.00485 -0.00157 183 2S 0.00578 -0.00116 -0.00887 0.01705 0.00325 184 2PX -0.04373 -0.10326 -0.00792 -0.08592 0.00013 185 2PY -0.02331 -0.01944 0.02245 -0.00510 -0.00215 186 2PZ -0.01681 -0.07717 -0.00895 -0.04440 -0.00541 187 3S 0.00579 -0.00568 -0.00817 0.02755 0.00348 188 3PX 0.00160 -0.06646 -0.00915 -0.04926 -0.00089 189 3PY 0.00182 -0.00350 0.00910 0.00039 -0.00042 190 3PZ -0.01472 -0.05590 -0.00348 -0.03127 -0.00321 191 4XX 0.00504 0.00453 0.00065 0.00417 -0.00011 192 4YY -0.00584 -0.00382 0.00059 -0.00253 0.00020 193 4ZZ 0.00081 0.00175 0.00008 -0.00105 -0.00021 194 4XY -0.00010 0.00048 -0.00042 0.00123 -0.00011 195 4XZ 0.00638 0.00568 0.00235 0.00273 -0.00018 196 4YZ 0.00049 0.00174 -0.00104 0.00050 0.00015 197 21 H 1S -0.02409 -0.02283 0.00900 -0.00679 0.00070 198 2S -0.05077 -0.02891 0.00720 -0.02404 -0.00065 199 22 C 1S 0.00163 0.00492 0.00152 0.00444 0.00014 200 2S -0.00317 -0.01557 -0.00676 -0.00955 -0.00120 201 2PX 0.04942 0.01455 0.02194 0.00901 -0.00251 202 2PY -0.00182 -0.00340 -0.00560 -0.00441 -0.00018 203 2PZ 0.02022 0.03523 0.02060 0.00693 0.00127 204 3S 0.02376 0.02208 -0.01432 0.01435 0.00015 205 3PX 0.04172 0.02371 0.01977 0.01213 -0.00151 206 3PY -0.01144 -0.01083 0.00274 -0.01500 -0.00101 207 3PZ 0.00859 0.00903 0.01398 0.00352 -0.00011 208 4XX -0.00051 -0.00167 0.00006 -0.00168 -0.00004 209 4YY -0.00170 -0.00036 0.00077 -0.00114 0.00002 210 4ZZ 0.00143 0.00233 -0.00045 0.00209 0.00018 211 4XY -0.00227 -0.00516 -0.00115 -0.00308 -0.00008 212 4XZ 0.00163 0.00360 0.00054 0.00349 -0.00002 213 4YZ -0.00203 -0.00079 -0.00046 -0.00198 0.00010 214 23 H 1S -0.00255 0.00901 0.00001 -0.00350 0.00090 215 2S 0.00060 0.01119 -0.00078 -0.00133 0.00130 56 57 58 59 60 56 4YY 0.00102 57 4ZZ -0.00033 0.00100 58 4XY 0.00001 0.00029 0.00090 59 4XZ 0.00027 -0.00013 0.00021 0.00066 60 4YZ 0.00017 -0.00033 -0.00031 0.00019 0.00111 61 5 C 1S 0.00029 -0.00020 0.00429 0.00343 -0.00309 62 2S -0.00190 -0.00079 -0.00854 -0.00713 0.00601 63 2PX -0.00103 -0.00133 -0.00570 -0.00339 0.00766 64 2PY 0.00969 0.00115 0.00110 0.00728 -0.00080 65 2PZ 0.00072 0.00734 0.00763 0.00110 -0.00117 66 3S -0.00234 -0.00009 -0.00562 -0.00478 0.00596 67 3PX 0.00055 0.00131 -0.00039 -0.00065 0.00246 68 3PY -0.00129 0.00160 0.00156 0.00164 -0.00187 69 3PZ 0.00000 0.00240 0.00208 -0.00051 0.00084 70 4XX -0.00052 0.00012 0.00019 0.00010 -0.00026 71 4YY 0.00073 -0.00028 0.00009 0.00033 0.00009 72 4ZZ -0.00036 0.00031 0.00039 -0.00017 -0.00047 73 4XY 0.00035 0.00049 0.00039 -0.00007 -0.00014 74 4XZ 0.00030 -0.00018 0.00009 0.00045 0.00018 75 4YZ -0.00020 -0.00007 0.00000 -0.00038 0.00022 76 6 C 1S 0.00032 -0.00075 -0.00052 0.00046 0.00061 77 2S -0.00040 0.00172 0.00099 -0.00091 -0.00132 78 2PX -0.00246 0.00491 0.00206 -0.00383 -0.00102 79 2PY -0.00094 0.00137 0.00066 -0.00143 -0.00049 80 2PZ 0.00185 -0.00036 -0.00071 0.00140 0.00180 81 3S -0.00004 0.00344 0.00279 -0.00012 -0.00346 82 3PX -0.00156 0.00289 0.00171 -0.00164 -0.00145 83 3PY 0.00017 0.00130 0.00118 0.00018 -0.00112 84 3PZ 0.00112 -0.00002 -0.00067 0.00019 0.00143 85 4XX -0.00008 0.00003 -0.00011 -0.00013 0.00020 86 4YY 0.00015 0.00002 0.00000 0.00014 -0.00005 87 4ZZ -0.00002 -0.00017 -0.00015 -0.00006 0.00003 88 4XY -0.00004 0.00017 0.00012 -0.00010 -0.00003 89 4XZ 0.00012 0.00008 0.00015 0.00021 -0.00009 90 4YZ 0.00006 -0.00014 -0.00003 0.00011 0.00013 91 7 H 1S -0.00009 0.00042 0.00074 -0.00026 -0.00054 92 2S -0.00021 0.00102 0.00239 -0.00034 -0.00149 93 8 H 1S 0.00218 0.00050 -0.00283 0.00062 0.00816 94 2S -0.00072 0.00105 -0.00314 0.00034 0.00760 95 9 H 1S -0.00513 0.00886 0.00448 -0.00564 -0.01114 96 2S -0.00408 0.00811 0.00452 -0.00349 -0.00933 97 10 H 1S 0.00086 -0.00142 -0.00109 0.00084 0.00095 98 2S -0.00039 -0.00221 -0.00197 0.00013 0.00183 99 11 O 1S 0.00014 0.00018 0.00002 -0.00007 -0.00004 100 2S -0.00010 -0.00013 -0.00024 0.00027 0.00003 101 2PX 0.00050 -0.00193 -0.00088 0.00062 0.00318 102 2PY 0.00006 0.00009 -0.00142 0.00033 0.00058 103 2PZ -0.00022 0.00113 0.00355 0.00114 0.00075 104 3S 0.00047 -0.00192 0.00052 0.00008 -0.00003 105 3PX 0.00035 -0.00171 -0.00073 0.00056 0.00279 106 3PY 0.00026 -0.00042 -0.00060 0.00012 0.00026 107 3PZ -0.00013 0.00092 0.00307 0.00094 0.00057 108 4XX -0.00001 0.00006 -0.00005 0.00000 -0.00003 109 4YY -0.00003 0.00011 -0.00006 0.00002 0.00000 110 4ZZ -0.00001 0.00007 0.00000 0.00002 0.00003 111 4XY 0.00004 -0.00003 0.00006 0.00002 -0.00001 112 4XZ 0.00001 -0.00002 0.00001 0.00001 -0.00001 113 4YZ -0.00002 0.00001 -0.00001 0.00002 0.00008 114 12 O 1S -0.00123 -0.00001 0.00030 0.00006 -0.00032 115 2S 0.00273 0.00052 -0.00053 0.00035 0.00055 116 2PX 0.00663 0.00267 0.00102 -0.00239 0.00298 117 2PY -0.00843 0.00120 0.00450 -0.00319 -0.00329 118 2PZ -0.00320 0.00497 0.00333 -0.00377 0.00174 119 3S 0.00248 -0.00088 0.00089 -0.00068 -0.00013 120 3PX 0.00474 0.00176 0.00120 -0.00148 0.00145 121 3PY -0.00481 0.00124 0.00230 -0.00170 -0.00174 122 3PZ -0.00239 0.00292 0.00180 -0.00281 0.00117 123 4XX -0.00017 0.00007 0.00010 0.00007 -0.00006 124 4YY 0.00037 -0.00003 -0.00046 0.00008 0.00028 125 4ZZ -0.00017 0.00010 0.00012 0.00002 -0.00010 126 4XY -0.00026 -0.00010 0.00011 0.00019 -0.00035 127 4XZ 0.00006 -0.00001 0.00002 0.00002 0.00005 128 4YZ 0.00009 -0.00042 -0.00035 0.00013 -0.00006 129 13 C 1S 0.00029 0.00009 0.00008 -0.00001 -0.00024 130 2S -0.00093 -0.00058 -0.00008 0.00021 0.00020 131 2PX 0.00130 0.00143 0.00049 -0.00119 -0.00046 132 2PY -0.00075 -0.00164 -0.00127 0.00052 0.00025 133 2PZ 0.00016 0.00071 -0.00006 0.00059 -0.00088 134 3S -0.00093 -0.00028 0.00033 -0.00095 0.00096 135 3PX 0.00037 0.00076 0.00040 0.00003 -0.00005 136 3PY 0.00006 -0.00091 -0.00119 -0.00031 0.00030 137 3PZ -0.00007 0.00100 -0.00007 -0.00082 -0.00038 138 4XX 0.00000 0.00015 -0.00016 0.00010 -0.00020 139 4YY -0.00001 -0.00007 0.00015 0.00004 0.00010 140 4ZZ -0.00001 0.00002 0.00004 -0.00015 0.00011 141 4XY 0.00013 -0.00003 -0.00024 -0.00026 -0.00014 142 4XZ 0.00010 0.00000 -0.00003 -0.00004 -0.00008 143 4YZ 0.00001 -0.00008 -0.00024 -0.00009 -0.00009 144 14 H 1S 0.00044 0.00101 -0.00023 -0.00017 -0.00086 145 2S 0.00060 0.00085 -0.00110 0.00019 -0.00151 146 15 H 1S -0.00034 -0.00047 0.00013 -0.00065 0.00079 147 2S -0.00016 0.00015 0.00018 -0.00138 0.00067 148 16 C 1S -0.00018 -0.00022 0.00055 0.00022 0.00056 149 2S 0.00018 0.00047 -0.00093 -0.00069 -0.00074 150 2PX -0.00065 0.00024 0.00714 0.00237 0.00462 151 2PY 0.00030 -0.00005 -0.00238 -0.00073 -0.00109 152 2PZ -0.00044 0.00091 0.00434 0.00155 0.00370 153 3S 0.00035 -0.00029 -0.00087 -0.00040 -0.00164 154 3PX -0.00004 0.00019 0.00464 0.00200 0.00321 155 3PY 0.00049 -0.00081 -0.00093 0.00076 -0.00010 156 3PZ -0.00007 0.00000 0.00364 0.00214 0.00205 157 4XX 0.00007 0.00004 -0.00015 -0.00009 -0.00027 158 4YY -0.00014 -0.00001 0.00013 0.00013 0.00006 159 4ZZ 0.00003 -0.00002 -0.00008 -0.00008 0.00019 160 4XY -0.00007 0.00006 0.00003 -0.00007 0.00007 161 4XZ 0.00013 -0.00010 -0.00025 -0.00006 -0.00005 162 4YZ -0.00004 0.00010 0.00011 -0.00004 0.00006 163 17 H 1S -0.00023 0.00001 0.00146 0.00051 0.00045 164 2S -0.00013 -0.00062 0.00177 0.00157 0.00140 165 18 C 1S -0.00016 -0.00032 -0.00016 0.00024 -0.00015 166 2S 0.00023 0.00032 0.00063 -0.00026 0.00086 167 2PX 0.00124 -0.00156 0.00017 -0.00137 0.00166 168 2PY 0.00045 -0.00021 0.00008 -0.00097 -0.00075 169 2PZ 0.00049 -0.00163 -0.00061 -0.00041 -0.00059 170 3S 0.00069 0.00090 -0.00100 -0.00240 -0.00041 171 3PX 0.00080 -0.00110 -0.00051 -0.00085 0.00097 172 3PY 0.00044 0.00017 -0.00022 -0.00110 -0.00152 173 3PZ 0.00029 -0.00115 0.00026 0.00046 0.00016 174 4XX 0.00000 -0.00004 0.00010 0.00002 0.00007 175 4YY -0.00002 0.00003 0.00008 0.00004 0.00004 176 4ZZ -0.00001 0.00000 -0.00020 -0.00003 -0.00011 177 4XY 0.00007 -0.00008 -0.00030 -0.00024 -0.00020 178 4XZ 0.00003 -0.00004 -0.00019 -0.00006 -0.00019 179 4YZ 0.00008 -0.00009 -0.00003 -0.00014 0.00000 180 19 H 1S -0.00018 -0.00001 -0.00033 0.00034 -0.00021 181 2S -0.00021 0.00025 -0.00056 0.00009 -0.00072 182 20 C 1S 0.00018 -0.00032 -0.00089 -0.00144 -0.00078 183 2S -0.00168 -0.00020 0.00194 0.00386 0.00156 184 2PX 0.00304 -0.00412 -0.00332 -0.00572 -0.00174 185 2PY 0.00250 -0.00131 0.00197 -0.00159 0.00115 186 2PZ 0.00150 0.00167 -0.00249 -0.00267 -0.00188 187 3S -0.00147 -0.00095 0.00227 0.00566 0.00244 188 3PX 0.00147 -0.00215 -0.00251 -0.00384 -0.00198 189 3PY 0.00043 0.00000 0.00074 -0.00116 0.00093 190 3PZ 0.00191 -0.00063 -0.00293 -0.00238 -0.00106 191 4XX -0.00008 0.00008 -0.00008 0.00000 0.00007 192 4YY 0.00013 -0.00017 0.00009 -0.00001 0.00007 193 4ZZ 0.00002 0.00018 -0.00008 -0.00019 -0.00026 194 4XY 0.00010 -0.00006 0.00008 0.00013 0.00002 195 4XZ 0.00000 0.00001 -0.00014 -0.00019 -0.00024 196 4YZ -0.00003 -0.00010 -0.00005 0.00007 -0.00002 197 21 H 1S 0.00125 -0.00173 0.00183 0.00021 0.00132 198 2S 0.00210 -0.00147 0.00101 -0.00090 0.00024 199 22 C 1S -0.00027 -0.00094 -0.00011 -0.00004 0.00012 200 2S 0.00001 0.00126 -0.00001 0.00011 -0.00053 201 2PX 0.00214 -0.00214 -0.00472 -0.00483 -0.00290 202 2PY -0.00038 0.00073 -0.00033 0.00103 -0.00005 203 2PZ 0.00179 -0.00330 -0.00167 -0.00325 -0.00084 204 3S -0.00125 0.00170 0.00138 0.00072 0.00043 205 3PX 0.00125 -0.00147 -0.00341 -0.00360 -0.00240 206 3PY 0.00023 0.00068 -0.00037 -0.00042 -0.00129 207 3PZ 0.00142 -0.00201 -0.00217 -0.00168 -0.00119 208 4XX 0.00007 -0.00007 -0.00007 -0.00016 -0.00004 209 4YY 0.00010 -0.00007 0.00005 -0.00011 0.00002 210 4ZZ -0.00015 0.00007 0.00006 0.00027 0.00004 211 4XY 0.00000 0.00002 -0.00002 0.00001 -0.00010 212 4XZ -0.00003 0.00002 0.00004 0.00011 0.00008 213 4YZ -0.00001 0.00000 -0.00004 -0.00003 -0.00002 214 23 H 1S 0.00012 -0.00032 -0.00001 0.00000 0.00004 215 2S -0.00020 -0.00029 0.00036 0.00006 0.00074 61 62 63 64 65 61 5 C 1S 2.05431 62 2S -0.07107 0.35865 63 2PX -0.00061 0.00330 0.36377 64 2PY 0.00259 -0.00694 -0.00770 0.43088 65 2PZ 0.00154 -0.00484 -0.07319 -0.00114 0.33860 66 3S -0.14904 0.25135 -0.00289 -0.05106 0.01459 67 3PX -0.00391 0.00281 0.09077 0.01285 0.04671 68 3PY 0.06192 -0.08342 0.00151 -0.00895 -0.01118 69 3PZ -0.00325 0.00418 0.04280 0.00162 0.11320 70 4XX -0.01216 -0.01303 0.00029 -0.01615 0.00026 71 4YY -0.01524 -0.00340 0.00021 0.01775 -0.00023 72 4ZZ -0.01111 -0.01509 -0.00055 -0.01400 0.00125 73 4XY 0.00012 -0.00082 -0.00341 -0.00068 0.01476 74 4XZ 0.00268 -0.00583 -0.00035 0.00761 -0.00141 75 4YZ 0.00006 -0.00010 0.01479 -0.00047 0.00194 76 6 C 1S 0.01341 -0.02593 0.04621 0.03285 -0.03974 77 2S -0.02839 0.04870 -0.09283 -0.06028 0.08296 78 2PX -0.04766 0.09993 -0.10005 -0.10622 0.16132 79 2PY -0.03478 0.07714 -0.10570 -0.07105 0.09112 80 2PZ 0.04036 -0.08270 0.15678 0.09147 -0.04905 81 3S 0.02060 -0.00884 -0.12593 -0.11081 0.09134 82 3PX 0.00413 0.00883 -0.04259 -0.06439 0.07269 83 3PY -0.01799 0.02533 -0.06342 0.02659 0.06256 84 3PZ -0.00236 -0.00801 0.07421 0.05561 -0.01261 85 4XX -0.00218 0.00372 0.00489 -0.00332 0.00293 86 4YY 0.00031 -0.00210 0.00143 0.00923 -0.00092 87 4ZZ -0.00150 0.00210 -0.00129 -0.00117 -0.00584 88 4XY -0.00394 0.00752 -0.00551 -0.00070 0.00745 89 4XZ 0.00338 -0.00675 0.00248 0.00693 -0.00077 90 4YZ 0.00351 -0.00665 0.00737 0.00058 -0.00298 91 7 H 1S -0.00877 0.01989 -0.02588 -0.02178 0.02239 92 2S -0.01134 0.02284 -0.04259 -0.03203 0.03866 93 8 H 1S -0.00629 0.01485 0.02440 -0.01582 -0.01062 94 2S -0.00794 0.01740 0.03785 -0.02406 -0.01854 95 9 H 1S 0.01008 -0.02344 -0.03781 0.01381 0.01997 96 2S 0.01679 -0.03364 -0.06855 -0.00212 0.04056 97 10 H 1S 0.01117 -0.02436 0.03677 0.01362 -0.03172 98 2S 0.02042 -0.03604 0.06987 -0.01187 -0.06227 99 11 O 1S -0.00032 0.00080 0.00014 0.00036 0.00018 100 2S -0.00059 0.00010 -0.00090 0.00252 -0.00025 101 2PX 0.00049 -0.00094 -0.00321 0.00025 -0.01223 102 2PY -0.00215 0.00780 -0.00157 -0.00875 0.00107 103 2PZ 0.00007 -0.00251 -0.00952 0.00000 -0.00388 104 3S 0.00928 -0.01314 0.00216 -0.01374 -0.00309 105 3PX 0.00088 -0.00178 0.00044 -0.00009 -0.01131 106 3PY 0.00064 0.00173 -0.00072 -0.00939 0.00136 107 3PZ -0.00023 -0.00200 -0.00916 0.00048 -0.00103 108 4XX -0.00063 0.00062 -0.00029 0.00118 -0.00004 109 4YY -0.00038 0.00065 0.00000 0.00021 0.00029 110 4ZZ -0.00057 0.00047 -0.00012 0.00131 -0.00004 111 4XY 0.00001 0.00000 -0.00077 -0.00026 -0.00019 112 4XZ 0.00013 -0.00029 -0.00004 0.00020 -0.00024 113 4YZ -0.00007 0.00008 -0.00009 -0.00009 -0.00089 114 12 O 1S 0.01245 -0.01456 0.00133 -0.05031 0.00147 115 2S -0.02167 0.02542 -0.00395 0.11416 -0.00550 116 2PX -0.00436 0.00617 0.17951 0.02256 0.11740 117 2PY 0.10357 -0.22151 0.02311 -0.39437 0.02256 118 2PZ -0.00440 0.01002 0.12164 0.01771 0.22383 119 3S -0.01347 -0.03281 0.00552 0.02841 0.00846 120 3PX -0.00165 0.00190 0.09864 0.01129 0.08371 121 3PY 0.05790 -0.11278 0.01068 -0.20522 0.01120 122 3PZ -0.00216 0.00551 0.08681 0.00964 0.12906 123 4XX 0.00421 -0.00535 0.00086 -0.00551 -0.00028 124 4YY -0.00926 0.01986 -0.00222 0.02280 -0.00258 125 4ZZ 0.00419 -0.00521 0.00005 -0.00529 0.00045 126 4XY 0.00045 -0.00099 -0.01765 -0.00170 -0.00368 127 4XZ -0.00001 0.00015 0.00060 0.00100 0.00082 128 4YZ 0.00039 -0.00075 -0.00378 -0.00161 -0.01913 129 13 C 1S 0.00075 -0.00173 -0.00168 0.00179 0.00326 130 2S -0.00264 0.00439 0.00281 -0.00335 -0.00947 131 2PX 0.00211 -0.00614 0.00126 0.00575 0.01231 132 2PY -0.00187 0.00683 0.00656 -0.00429 -0.00261 133 2PZ 0.00132 -0.00138 -0.00174 0.00224 0.00339 134 3S 0.00124 0.00246 0.02361 -0.01767 -0.00013 135 3PX -0.00168 -0.00021 0.00192 0.00690 -0.00234 136 3PY -0.00203 0.00605 0.01414 -0.00443 0.00092 137 3PZ 0.00102 0.00140 0.00913 -0.00631 0.01073 138 4XX 0.00050 -0.00097 -0.00053 0.00079 0.00142 139 4YY -0.00010 0.00020 0.00008 -0.00022 -0.00061 140 4ZZ -0.00030 0.00067 0.00061 -0.00067 -0.00059 141 4XY -0.00045 0.00097 0.00046 -0.00085 -0.00174 142 4XZ 0.00011 -0.00042 -0.00032 0.00082 0.00099 143 4YZ -0.00017 0.00075 0.00061 -0.00066 -0.00117 144 14 H 1S 0.00175 -0.00476 -0.00111 0.00477 0.00846 145 2S 0.00371 -0.00753 -0.00748 0.00701 0.01482 146 15 H 1S -0.00204 0.00322 0.00340 -0.00358 -0.00475 147 2S -0.00140 0.00410 0.00612 -0.00661 0.00247 148 16 C 1S 0.00070 -0.00112 0.00048 0.00136 0.00413 149 2S -0.00141 0.00323 0.00262 -0.00507 -0.00870 150 2PX 0.00361 -0.01232 -0.00501 0.01078 0.02102 151 2PY -0.00207 0.00616 0.00210 -0.00675 -0.01253 152 2PZ 0.00243 -0.00760 0.00154 0.00610 0.01710 153 3S -0.00095 0.00234 -0.00809 -0.00113 -0.01618 154 3PX 0.00206 -0.00862 -0.00285 0.01019 0.01775 155 3PY -0.00022 0.00021 -0.00721 0.00696 -0.00870 156 3PZ 0.00517 -0.01219 -0.01062 0.01182 0.01633 157 4XX 0.00029 -0.00013 -0.00010 -0.00015 0.00002 158 4YY 0.00021 -0.00032 0.00002 0.00007 0.00002 159 4ZZ -0.00011 0.00056 0.00122 -0.00072 0.00042 160 4XY -0.00040 0.00073 0.00061 -0.00053 -0.00061 161 4XZ -0.00010 0.00059 0.00069 -0.00043 0.00123 162 4YZ 0.00002 0.00004 0.00022 -0.00020 0.00002 163 17 H 1S 0.00126 -0.00381 -0.00252 0.00374 0.00377 164 2S 0.00259 -0.00718 -0.00608 0.01095 0.00387 165 18 C 1S 0.00023 0.00015 -0.00026 -0.00038 0.00045 166 2S 0.00069 -0.00047 0.00052 -0.00043 -0.00148 167 2PX -0.00239 0.00868 0.01793 -0.00512 0.02732 168 2PY 0.00058 0.00018 -0.00256 0.00214 -0.00289 169 2PZ -0.00080 0.00300 0.00318 -0.00030 0.00940 170 3S -0.01022 0.01196 0.00959 0.00252 -0.00277 171 3PX -0.00231 0.00759 0.01477 -0.00542 0.01973 172 3PY -0.00266 0.00214 -0.00416 0.00497 -0.00219 173 3PZ 0.00345 -0.00263 0.00103 -0.00096 0.01314 174 4XX 0.00020 -0.00008 0.00027 -0.00031 0.00053 175 4YY 0.00023 -0.00031 -0.00029 0.00035 0.00020 176 4ZZ -0.00005 0.00041 0.00034 -0.00088 -0.00097 177 4XY -0.00017 0.00097 0.00077 -0.00070 -0.00058 178 4XZ -0.00001 0.00015 0.00004 -0.00007 -0.00019 179 4YZ -0.00007 0.00035 0.00094 -0.00028 0.00014 180 19 H 1S -0.00014 -0.00014 -0.00190 0.00000 -0.00182 181 2S -0.00115 0.00131 -0.00388 -0.00041 -0.00392 182 20 C 1S -0.00166 0.00329 0.00516 -0.00289 -0.00014 183 2S 0.00454 -0.00820 -0.01602 0.00266 0.00140 184 2PX -0.00785 0.02333 0.00442 -0.01780 -0.03676 185 2PY 0.00024 -0.00156 -0.00761 0.00005 -0.00598 186 2PZ -0.00154 0.00482 -0.00761 -0.00321 -0.01780 187 3S -0.00484 -0.00174 -0.02268 0.03196 -0.02271 188 3PX -0.00442 0.01445 -0.00570 -0.01416 -0.02676 189 3PY 0.00492 -0.00192 0.00762 -0.00983 0.00977 190 3PZ -0.00674 0.01153 0.01349 -0.00074 -0.01800 191 4XX -0.00066 0.00095 0.00370 -0.00088 0.00160 192 4YY -0.00009 0.00002 -0.00190 -0.00031 -0.00112 193 4ZZ 0.00022 -0.00065 -0.00162 0.00026 0.00080 194 4XY 0.00038 -0.00104 -0.00150 0.00076 0.00021 195 4XZ 0.00013 0.00010 0.00148 -0.00025 0.00158 196 4YZ -0.00001 -0.00014 0.00006 0.00012 0.00034 197 21 H 1S 0.00067 -0.00144 -0.01161 0.00073 -0.00778 198 2S -0.00055 -0.00228 -0.00683 -0.00453 -0.00309 199 22 C 1S -0.00187 0.00225 0.00328 -0.00136 0.00119 200 2S 0.00103 -0.00472 -0.01090 0.00647 -0.00662 201 2PX -0.00468 0.01870 0.01463 -0.01237 -0.00286 202 2PY 0.00096 -0.00420 -0.00491 0.00080 -0.00328 203 2PZ -0.00359 0.01015 0.01892 -0.00819 -0.00401 204 3S 0.01806 -0.01818 -0.01545 -0.01301 0.00931 205 3PX -0.00426 0.01365 0.01275 -0.01155 0.00169 206 3PY -0.00217 0.00061 -0.00930 0.00565 -0.00217 207 3PZ -0.00883 0.01248 0.00637 0.00380 -0.01600 208 4XX -0.00111 0.00139 0.00077 -0.00060 0.00034 209 4YY -0.00055 0.00024 -0.00057 0.00009 -0.00069 210 4ZZ 0.00000 -0.00060 -0.00093 0.00037 0.00033 211 4XY 0.00019 -0.00049 -0.00132 0.00015 -0.00192 212 4XZ -0.00013 0.00002 0.00085 0.00007 0.00138 213 4YZ 0.00004 -0.00010 0.00021 -0.00010 -0.00099 214 23 H 1S 0.00054 -0.00266 0.00011 0.00071 -0.00535 215 2S 0.00122 -0.00263 0.01178 -0.00372 0.00714 66 67 68 69 70 66 3S 0.22120 67 3PX 0.00541 0.04450 68 3PY -0.05850 -0.00515 0.03712 69 3PZ 0.00786 0.02965 -0.00483 0.05660 70 4XX -0.00600 -0.00101 0.00504 -0.00004 0.00209 71 4YY -0.00727 0.00080 -0.00287 0.00006 -0.00114 72 4ZZ -0.00733 -0.00027 0.00483 -0.00017 0.00107 73 4XY 0.00227 0.00586 -0.00213 0.00261 -0.00012 74 4XZ -0.00413 -0.00020 0.00046 -0.00062 -0.00024 75 4YZ -0.00074 0.00240 0.00038 0.00649 -0.00001 76 6 C 1S 0.00020 -0.00391 0.00408 0.00178 -0.00228 77 2S 0.02352 0.00001 -0.02001 0.00371 0.00317 78 2PX 0.09887 0.00897 -0.04220 0.02906 -0.00779 79 2PY 0.06657 -0.01715 0.02544 0.01319 0.00499 80 2PZ -0.08576 0.02615 0.03848 0.01143 -0.00367 81 3S -0.00514 0.00275 0.00233 -0.01194 0.00670 82 3PX 0.01572 0.00421 -0.00614 0.01044 -0.00284 83 3PY 0.01336 -0.00502 0.00266 0.01075 -0.00017 84 3PZ -0.01591 0.01449 0.00727 0.00909 -0.00469 85 4XX 0.00322 0.00158 0.00037 0.00215 0.00006 86 4YY -0.00305 0.00036 -0.00055 0.00017 -0.00030 87 4ZZ 0.00175 -0.00182 0.00063 -0.00221 0.00000 88 4XY 0.00812 -0.00033 -0.00330 0.00254 -0.00021 89 4XZ -0.00451 0.00076 0.00073 0.00022 -0.00018 90 4YZ -0.00645 0.00210 0.00230 0.00008 0.00061 91 7 H 1S 0.04665 -0.01399 -0.00444 0.01196 0.00013 92 2S 0.04852 -0.01575 -0.00668 0.01501 0.00025 93 8 H 1S 0.03442 0.01384 0.00234 -0.00461 0.00093 94 2S 0.02954 0.01570 0.00502 -0.00658 0.00095 95 9 H 1S -0.03090 -0.00599 0.02164 0.00242 0.00217 96 2S -0.02808 -0.00764 0.01807 -0.00005 0.00137 97 10 H 1S -0.04137 0.00271 0.03201 -0.00578 0.00501 98 2S -0.04805 0.00131 0.03355 -0.00764 0.00460 99 11 O 1S -0.00253 0.00064 0.00151 -0.00058 0.00011 100 2S 0.00533 -0.00093 0.00176 0.00040 -0.00037 101 2PX -0.01186 0.02478 0.00895 -0.02442 0.00109 102 2PY 0.00799 0.00087 0.01620 -0.00333 -0.00053 103 2PZ 0.01118 -0.01935 -0.00142 0.02046 0.00156 104 3S -0.01009 -0.00122 -0.00995 0.00049 -0.00005 105 3PX -0.00956 0.01786 0.00611 -0.01762 0.00088 106 3PY 0.00094 0.00028 0.00575 -0.00141 -0.00033 107 3PZ 0.01003 -0.01371 -0.00244 0.01458 0.00110 108 4XX 0.00059 0.00005 -0.00002 -0.00008 -0.00001 109 4YY 0.00065 0.00010 0.00167 -0.00013 0.00000 110 4ZZ 0.00062 -0.00010 -0.00004 0.00010 -0.00007 111 4XY -0.00024 0.00073 0.00033 -0.00087 0.00006 112 4XZ -0.00037 -0.00004 0.00000 -0.00003 -0.00001 113 4YZ 0.00005 -0.00072 0.00032 0.00057 0.00006 114 12 O 1S 0.02989 0.00064 0.00182 0.00046 0.00586 115 2S -0.07859 -0.00044 -0.02911 -0.00196 -0.01280 116 2PX 0.03088 0.12489 -0.02787 0.04986 -0.00421 117 2PY -0.15205 -0.00571 0.05932 0.00582 0.02058 118 2PZ 0.00342 0.05193 -0.00644 0.14313 -0.00134 119 3S -0.13627 0.00253 -0.03252 0.00305 -0.01057 120 3PX 0.02049 0.07970 -0.01933 0.03048 -0.00276 121 3PY -0.08009 -0.00379 0.03352 0.00261 0.01067 122 3PZ 0.00010 0.03159 -0.00343 0.09014 -0.00090 123 4XX -0.00163 -0.00003 0.00266 -0.00011 0.00063 124 4YY 0.01522 -0.00020 -0.00401 -0.00085 -0.00126 125 4ZZ -0.00175 -0.00026 0.00252 0.00016 0.00049 126 4XY -0.00162 -0.00789 0.00135 -0.00368 0.00022 127 4XZ -0.00034 0.00040 -0.00046 0.00046 -0.00013 128 4YZ -0.00090 -0.00388 0.00075 -0.00938 0.00010 129 13 C 1S -0.00296 -0.00013 0.00286 0.00072 0.00060 130 2S 0.01248 0.00185 -0.00458 -0.00486 -0.00142 131 2PX -0.01003 0.00325 0.00920 0.00946 0.00197 132 2PY 0.00766 0.00568 -0.00672 -0.00883 -0.00092 133 2PZ -0.01399 -0.00500 0.01132 0.00595 0.00016 134 3S 0.01467 0.01471 -0.00865 0.00128 -0.00211 135 3PX -0.00153 -0.00031 0.00646 0.00235 0.00054 136 3PY 0.00810 0.00799 -0.00628 -0.00194 -0.00090 137 3PZ -0.00510 0.00391 0.00281 0.00770 0.00048 138 4XX -0.00136 -0.00014 0.00175 0.00047 0.00038 139 4YY -0.00016 -0.00048 -0.00017 0.00005 -0.00014 140 4ZZ 0.00129 0.00042 -0.00113 -0.00020 -0.00015 141 4XY 0.00055 -0.00014 -0.00043 -0.00017 -0.00019 142 4XZ -0.00081 0.00005 0.00045 0.00041 0.00014 143 4YZ -0.00013 0.00001 -0.00013 -0.00045 -0.00016 144 14 H 1S -0.00754 0.00113 0.00929 0.00543 0.00175 145 2S -0.01368 -0.00124 0.01063 0.00522 0.00332 146 15 H 1S 0.01388 0.00507 -0.01022 -0.00476 -0.00094 147 2S 0.01004 0.00595 -0.01010 -0.00002 -0.00053 148 16 C 1S -0.00580 -0.00142 0.00159 0.00226 0.00051 149 2S 0.00945 0.00111 -0.00377 -0.00171 -0.00080 150 2PX -0.00758 -0.00068 -0.00342 0.01205 -0.00018 151 2PY 0.00779 -0.00453 0.00010 -0.00260 -0.00016 152 2PZ 0.01224 0.00853 -0.00487 0.00331 0.00073 153 3S 0.01130 -0.00592 -0.00186 -0.00460 -0.00115 154 3PX -0.00301 -0.00025 -0.00192 0.00819 -0.00008 155 3PY 0.00135 -0.00482 0.00209 -0.00467 -0.00007 156 3PZ -0.00015 0.00188 -0.00086 0.00146 0.00099 157 4XX -0.00085 -0.00040 0.00087 0.00025 0.00011 158 4YY -0.00067 0.00014 0.00010 -0.00022 -0.00011 159 4ZZ 0.00092 0.00059 -0.00071 0.00012 0.00011 160 4XY 0.00080 -0.00001 -0.00015 0.00012 -0.00006 161 4XZ -0.00048 0.00007 -0.00043 0.00050 0.00026 162 4YZ -0.00005 0.00021 -0.00009 0.00006 0.00000 163 17 H 1S -0.00452 0.00187 -0.00096 0.00065 -0.00057 164 2S -0.00873 0.00285 0.00100 -0.00266 -0.00024 165 18 C 1S -0.00219 -0.00138 0.00457 0.00015 0.00011 166 2S 0.00280 0.00197 -0.00697 -0.00116 0.00027 167 2PX -0.00220 0.00457 -0.02247 0.01469 0.00351 168 2PY -0.01571 -0.00297 -0.00303 -0.00095 -0.00037 169 2PZ -0.01492 -0.00472 -0.00491 0.00776 0.00147 170 3S 0.00429 0.00290 -0.00945 0.00327 -0.00144 171 3PX -0.00190 0.00316 -0.01442 0.01122 0.00314 172 3PY -0.00723 -0.00303 -0.00137 0.00056 -0.00121 173 3PZ -0.00758 -0.00085 -0.00385 0.00530 0.00201 174 4XX -0.00010 0.00009 0.00006 0.00030 -0.00002 175 4YY -0.00078 0.00000 0.00016 0.00000 0.00000 176 4ZZ 0.00096 -0.00004 0.00017 -0.00029 0.00003 177 4XY -0.00059 -0.00020 -0.00074 0.00016 -0.00001 178 4XZ -0.00049 -0.00014 0.00026 -0.00017 0.00005 179 4YZ 0.00067 0.00042 -0.00084 0.00009 0.00002 180 19 H 1S -0.00054 -0.00195 0.00167 0.00041 0.00002 181 2S -0.00149 -0.00352 0.00337 0.00025 -0.00063 182 20 C 1S 0.00908 0.00679 0.00008 -0.00052 -0.00092 183 2S -0.01570 -0.01416 0.01028 -0.00206 0.00128 184 2PX 0.01109 -0.00162 -0.02703 -0.01086 -0.00817 185 2PY -0.00580 -0.01184 -0.00303 0.00636 -0.00004 186 2PZ -0.00841 -0.00335 0.00403 -0.00115 -0.00397 187 3S -0.01306 -0.02355 0.01280 -0.00851 0.00096 188 3PX 0.00401 -0.00701 -0.01196 -0.00856 -0.00490 189 3PY -0.00071 0.00138 -0.00231 0.00845 0.00041 190 3PZ 0.00013 0.00288 -0.00443 -0.00090 -0.00366 191 4XX 0.00133 0.00154 0.00033 0.00108 0.00028 192 4YY 0.00011 -0.00108 -0.00071 -0.00049 -0.00020 193 4ZZ -0.00065 0.00006 -0.00013 -0.00019 0.00002 194 4XY -0.00124 -0.00078 0.00042 0.00000 0.00010 195 4XZ -0.00116 0.00028 -0.00025 0.00099 0.00032 196 4YZ 0.00092 0.00041 -0.00022 -0.00033 0.00002 197 21 H 1S -0.00707 -0.01307 -0.00242 0.00063 -0.00053 198 2S -0.00529 -0.00363 -0.00575 0.00017 -0.00147 199 22 C 1S 0.00965 0.00306 -0.00100 0.00258 -0.00045 200 2S -0.01056 -0.00532 0.00413 -0.00404 -0.00018 201 2PX -0.01364 -0.00244 -0.02211 0.00641 -0.00027 202 2PY 0.00988 -0.00214 0.01052 -0.00185 -0.00002 203 2PZ 0.01126 0.00329 -0.02005 0.00069 0.00062 204 3S -0.00940 -0.00250 0.00802 -0.00305 0.00227 205 3PX -0.00677 -0.00020 -0.01601 0.00562 0.00085 206 3PY 0.00103 -0.00326 0.00268 -0.00078 -0.00070 207 3PZ 0.00204 -0.00328 -0.01066 -0.00395 -0.00020 208 4XX 0.00097 0.00047 -0.00076 0.00033 -0.00021 209 4YY 0.00036 -0.00023 -0.00080 -0.00027 -0.00001 210 4ZZ -0.00008 -0.00045 0.00100 -0.00021 0.00023 211 4XY -0.00052 -0.00056 0.00077 -0.00087 -0.00023 212 4XZ 0.00022 0.00038 0.00026 0.00062 0.00024 213 4YZ 0.00122 0.00042 -0.00013 -0.00079 -0.00009 214 23 H 1S 0.00849 -0.00033 0.00029 -0.00414 0.00039 215 2S 0.01029 0.00601 -0.00115 0.00231 0.00031 71 72 73 74 75 71 4YY 0.00225 72 4ZZ -0.00080 0.00184 73 4XY -0.00001 0.00022 0.00387 74 4XZ 0.00061 -0.00030 -0.00016 0.00055 75 4YZ 0.00008 -0.00008 -0.00141 -0.00007 0.00342 76 6 C 1S 0.00098 -0.00157 -0.00607 0.00374 0.00502 77 2S -0.00266 0.00178 0.01186 -0.00669 -0.00985 78 2PX -0.00171 0.00313 0.00779 -0.00163 -0.01368 79 2PY -0.01242 0.00413 0.00550 -0.00629 -0.00432 80 2PZ 0.00212 0.00774 -0.01375 -0.00041 0.00297 81 3S -0.00526 0.00715 0.02521 -0.00678 -0.02247 82 3PX -0.00102 0.00487 0.00305 -0.00093 -0.00793 83 3PY -0.00158 -0.00060 0.00017 -0.00138 0.00021 84 3PZ 0.00146 0.00311 -0.00748 -0.00037 0.00011 85 4XX -0.00031 0.00004 -0.00006 -0.00013 0.00026 86 4YY 0.00055 -0.00030 -0.00030 0.00021 0.00020 87 4ZZ -0.00018 -0.00004 -0.00034 0.00002 0.00005 88 4XY 0.00006 -0.00058 0.00060 0.00007 0.00019 89 4XZ 0.00046 -0.00009 -0.00012 0.00044 0.00015 90 4YZ -0.00006 0.00008 0.00024 -0.00004 0.00063 91 7 H 1S -0.00229 0.00046 0.00072 -0.00019 -0.00049 92 2S -0.00300 0.00086 0.00282 -0.00054 -0.00196 93 8 H 1S -0.00208 0.00011 -0.00090 0.00014 -0.00029 94 2S -0.00264 0.00046 -0.00254 0.00002 0.00036 95 9 H 1S -0.00358 0.00631 0.00332 -0.00513 0.00134 96 2S -0.00284 0.00634 0.00733 -0.00339 -0.00361 97 10 H 1S -0.00398 0.00378 -0.00185 -0.00423 0.00157 98 2S -0.00313 0.00361 -0.00737 -0.00240 0.00643 99 11 O 1S -0.00036 0.00009 -0.00003 0.00002 0.00003 100 2S 0.00122 -0.00007 0.00004 0.00011 -0.00009 101 2PX 0.00053 -0.00182 0.00179 0.00075 0.00320 102 2PY 0.00277 0.00045 -0.00031 0.00041 -0.00039 103 2PZ 0.00021 -0.00197 0.00280 0.00068 0.00273 104 3S 0.00192 -0.00030 0.00011 0.00022 -0.00003 105 3PX 0.00042 -0.00144 0.00112 0.00062 0.00273 106 3PY 0.00184 0.00021 -0.00014 0.00029 -0.00037 107 3PZ 0.00019 -0.00153 0.00246 0.00056 0.00192 108 4XX -0.00008 -0.00004 0.00003 -0.00001 0.00003 109 4YY 0.00007 0.00006 -0.00002 0.00001 -0.00003 110 4ZZ -0.00005 0.00000 -0.00003 0.00000 -0.00002 111 4XY 0.00001 -0.00005 0.00010 0.00002 0.00007 112 4XZ 0.00006 -0.00001 0.00002 0.00001 0.00003 113 4YZ 0.00000 -0.00007 0.00006 0.00002 0.00013 114 12 O 1S -0.01367 0.00526 0.00073 -0.00146 0.00050 115 2S 0.02504 -0.01163 -0.00180 0.00327 -0.00105 116 2PX 0.00199 0.00101 0.04588 -0.00157 -0.01106 117 2PY -0.00715 0.01980 0.00229 -0.00347 0.00116 118 2PZ 0.00191 -0.00162 -0.01143 -0.00138 0.04225 119 3S 0.02932 -0.00895 0.00015 0.00334 -0.00073 120 3PX 0.00131 0.00094 0.03265 -0.00111 -0.00871 121 3PY -0.00343 0.01014 0.00103 -0.00193 0.00049 122 3PZ 0.00137 -0.00106 -0.00902 -0.00087 0.02972 123 4XX -0.00063 0.00051 0.00004 -0.00005 -0.00002 124 4YY -0.00003 -0.00129 -0.00028 0.00006 -0.00011 125 4ZZ -0.00055 0.00057 -0.00009 -0.00006 0.00013 126 4XY -0.00011 0.00003 -0.00182 0.00008 -0.00003 127 4XZ 0.00022 -0.00012 0.00005 0.00006 0.00007 128 4YZ -0.00010 0.00007 -0.00001 0.00009 -0.00185 129 13 C 1S -0.00004 -0.00030 -0.00032 -0.00003 -0.00046 130 2S 0.00016 0.00056 0.00004 0.00003 0.00119 131 2PX -0.00052 -0.00140 -0.00123 0.00027 -0.00163 132 2PY 0.00078 0.00032 0.00026 -0.00034 0.00038 133 2PZ 0.00006 0.00054 0.00039 -0.00009 -0.00015 134 3S 0.00028 0.00133 0.00386 -0.00049 0.00240 135 3PX -0.00004 -0.00083 -0.00130 0.00052 -0.00006 136 3PY 0.00062 0.00026 0.00111 -0.00032 0.00056 137 3PZ -0.00061 0.00059 0.00158 -0.00079 0.00028 138 4XX -0.00011 -0.00014 -0.00017 0.00005 -0.00031 139 4YY 0.00005 0.00008 0.00004 0.00001 0.00014 140 4ZZ -0.00002 0.00007 0.00000 -0.00006 0.00014 141 4XY 0.00001 0.00011 0.00010 -0.00008 0.00027 142 4XZ -0.00001 -0.00010 -0.00006 0.00001 -0.00015 143 4YZ 0.00004 0.00009 0.00009 -0.00005 0.00020 144 14 H 1S -0.00051 -0.00097 -0.00082 0.00026 -0.00153 145 2S -0.00084 -0.00165 -0.00126 0.00024 -0.00323 146 15 H 1S 0.00005 0.00010 0.00010 -0.00011 0.00070 147 2S -0.00039 0.00041 0.00046 -0.00069 0.00082 148 16 C 1S 0.00001 -0.00018 -0.00019 0.00012 -0.00062 149 2S 0.00005 0.00083 0.00055 -0.00030 0.00107 150 2PX 0.00043 -0.00066 -0.00082 0.00092 -0.00185 151 2PY -0.00027 0.00083 0.00063 -0.00037 0.00127 152 2PZ 0.00064 -0.00062 -0.00106 0.00060 -0.00187 153 3S 0.00085 0.00058 -0.00083 0.00019 0.00356 154 3PX 0.00037 -0.00043 -0.00107 0.00082 -0.00313 155 3PY 0.00057 -0.00048 -0.00164 0.00060 0.00102 156 3PZ 0.00077 -0.00099 -0.00136 0.00090 -0.00257 157 4XX -0.00008 -0.00001 0.00000 -0.00002 -0.00008 158 4YY 0.00005 0.00005 0.00002 0.00003 0.00001 159 4ZZ -0.00007 -0.00005 -0.00008 -0.00006 -0.00010 160 4XY -0.00008 0.00006 0.00003 -0.00005 0.00007 161 4XZ -0.00010 -0.00014 -0.00007 -0.00008 -0.00024 162 4YZ -0.00002 0.00003 -0.00001 -0.00002 0.00001 163 17 H 1S 0.00040 -0.00009 -0.00012 0.00026 -0.00012 164 2S 0.00081 -0.00083 -0.00069 0.00082 -0.00035 165 18 C 1S 0.00007 0.00017 -0.00003 0.00007 -0.00014 166 2S 0.00022 -0.00019 0.00015 0.00001 0.00050 167 2PX -0.00096 -0.00249 -0.00198 -0.00157 -0.00335 168 2PY 0.00024 0.00032 0.00034 -0.00002 0.00043 169 2PZ -0.00077 -0.00152 -0.00035 -0.00058 -0.00111 170 3S -0.00004 0.00052 0.00186 -0.00098 0.00095 171 3PX -0.00101 -0.00228 -0.00117 -0.00104 -0.00248 172 3PY 0.00038 0.00065 0.00112 -0.00033 0.00063 173 3PZ -0.00025 -0.00146 -0.00125 -0.00008 -0.00093 174 4XX 0.00000 0.00001 -0.00005 -0.00001 -0.00007 175 4YY 0.00002 -0.00002 0.00006 0.00004 0.00001 176 4ZZ -0.00004 0.00001 0.00006 -0.00003 0.00011 177 4XY -0.00005 0.00002 0.00005 -0.00015 0.00012 178 4XZ -0.00001 -0.00002 -0.00005 -0.00001 -0.00002 179 4YZ 0.00001 -0.00001 -0.00007 -0.00005 0.00001 180 19 H 1S -0.00020 -0.00023 0.00043 0.00002 0.00036 181 2S -0.00026 0.00033 0.00089 -0.00013 0.00026 182 20 C 1S 0.00002 0.00010 0.00042 -0.00052 0.00068 183 2S -0.00023 0.00002 -0.00066 0.00106 -0.00127 184 2PX 0.00270 0.00394 0.00430 -0.00228 0.00731 185 2PY 0.00019 -0.00028 -0.00007 0.00027 0.00094 186 2PZ 0.00053 0.00235 0.00293 -0.00056 0.00325 187 3S 0.00066 -0.00240 -0.00330 0.00239 -0.00129 188 3PX 0.00099 0.00310 -0.00033 -0.00159 0.00498 189 3PY -0.00062 0.00041 -0.00045 -0.00036 0.00177 190 3PZ 0.00127 0.00116 0.00264 -0.00060 0.00293 191 4XX -0.00014 -0.00018 -0.00028 -0.00001 -0.00007 192 4YY 0.00009 0.00010 0.00010 0.00002 0.00010 193 4ZZ -0.00007 0.00011 0.00010 -0.00010 -0.00016 194 4XY 0.00007 -0.00009 -0.00010 0.00010 -0.00010 195 4XZ -0.00013 -0.00009 -0.00013 -0.00017 -0.00010 196 4YZ 0.00003 -0.00004 -0.00007 0.00002 -0.00004 197 21 H 1S 0.00056 0.00013 0.00020 0.00046 0.00072 198 2S 0.00130 0.00067 0.00437 0.00008 -0.00029 199 22 C 1S -0.00044 -0.00078 -0.00003 -0.00051 0.00028 200 2S 0.00008 0.00066 0.00057 0.00080 -0.00016 201 2PX -0.00044 0.00001 0.00059 -0.00314 0.00145 202 2PY -0.00024 0.00052 -0.00011 0.00068 -0.00047 203 2PZ 0.00014 -0.00059 -0.00117 -0.00117 0.00064 204 3S -0.00154 0.00122 -0.00210 0.00073 -0.00206 205 3PX -0.00070 -0.00039 0.00015 -0.00234 0.00103 206 3PY 0.00020 0.00036 0.00114 0.00000 0.00029 207 3PZ 0.00037 -0.00090 0.00011 -0.00063 -0.00021 208 4XX 0.00006 0.00006 0.00014 -0.00011 0.00014 209 4YY 0.00003 -0.00001 0.00003 -0.00002 0.00007 210 4ZZ -0.00006 -0.00010 -0.00013 0.00008 -0.00015 211 4XY 0.00009 0.00014 0.00011 0.00005 0.00020 212 4XZ -0.00007 -0.00018 -0.00019 0.00004 -0.00018 213 4YZ 0.00007 0.00009 0.00000 0.00003 0.00006 214 23 H 1S 0.00007 0.00024 -0.00062 0.00061 -0.00037 215 2S 0.00015 0.00037 -0.00073 0.00022 0.00063 76 77 78 79 80 76 6 C 1S 2.05495 77 2S -0.06628 0.33288 78 2PX 0.00082 0.00088 0.37385 79 2PY -0.00052 -0.00078 -0.00211 0.44403 80 2PZ -0.00057 -0.00106 -0.05243 0.00383 0.35647 81 3S -0.19856 0.31918 0.04527 0.08209 -0.03418 82 3PX -0.00507 -0.00108 0.18431 0.01115 0.02007 83 3PY -0.00089 0.01060 0.00873 0.11544 -0.00607 84 3PZ 0.00322 0.00284 0.02163 -0.01078 0.19051 85 4XX -0.01594 -0.00665 0.00171 0.01082 0.00236 86 4YY -0.01846 0.00000 -0.00240 -0.01136 0.00237 87 4ZZ -0.01480 -0.00906 -0.00213 0.00809 -0.00189 88 4XY 0.00149 -0.00273 0.00618 -0.00213 -0.01557 89 4XZ 0.00452 -0.00907 0.00104 -0.01038 -0.00082 90 4YZ -0.00150 0.00294 -0.01557 0.00204 0.00118 91 7 H 1S 0.01320 -0.02744 0.01495 0.04197 -0.01216 92 2S 0.01511 -0.02753 0.03502 0.07056 -0.02769 93 8 H 1S 0.00031 -0.00092 0.00461 -0.00577 0.00680 94 2S 0.00390 -0.00854 0.00807 -0.00203 0.01981 95 9 H 1S -0.00618 0.01383 0.02308 0.00859 -0.01257 96 2S -0.01243 0.02520 0.05481 0.02283 -0.02593 97 10 H 1S -0.06078 0.11659 -0.16772 0.15098 0.14538 98 2S -0.01013 0.02146 -0.14892 0.11307 0.12676 99 11 O 1S 0.00127 -0.00302 -0.00113 0.00577 0.00052 100 2S -0.00262 0.00590 0.00216 -0.01145 0.00072 101 2PX 0.00797 -0.01583 -0.04205 0.02528 -0.05273 102 2PY -0.00785 0.01994 0.01006 -0.03419 0.00667 103 2PZ -0.00773 0.01394 -0.05266 -0.02700 -0.05405 104 3S -0.00869 0.01906 0.00783 -0.04606 -0.01020 105 3PX 0.00609 -0.01315 -0.03661 0.02118 -0.03889 106 3PY -0.00590 0.01520 0.01040 -0.02989 0.00191 107 3PZ -0.00563 0.01103 -0.03815 -0.02234 -0.04447 108 4XX 0.00027 -0.00090 -0.00108 0.00185 -0.00042 109 4YY 0.00017 -0.00015 0.00028 0.00095 0.00100 110 4ZZ 0.00023 -0.00083 0.00006 0.00148 0.00122 111 4XY -0.00007 0.00013 -0.00131 0.00002 -0.00210 112 4XZ -0.00021 0.00040 -0.00046 -0.00091 -0.00034 113 4YZ 0.00003 -0.00005 -0.00212 -0.00017 -0.00193 114 12 O 1S -0.00267 0.00604 0.00227 0.01106 -0.00246 115 2S 0.00761 -0.01636 -0.00901 -0.02469 0.00959 116 2PX -0.02497 0.05058 0.03348 0.06073 -0.04979 117 2PY -0.01379 0.02345 0.02992 0.04028 -0.02745 118 2PZ 0.02242 -0.04322 -0.05486 -0.05523 0.01417 119 3S 0.00041 0.00015 0.01233 -0.06196 -0.00908 120 3PX -0.02020 0.04223 0.02622 0.05227 -0.04952 121 3PY -0.00618 0.01008 0.01226 0.03377 -0.01295 122 3PZ 0.01816 -0.03627 -0.05232 -0.04709 0.00840 123 4XX 0.00019 -0.00050 -0.00171 0.00190 0.00056 124 4YY 0.00073 -0.00132 -0.00067 0.00132 0.00044 125 4ZZ 0.00021 -0.00066 -0.00038 0.00143 0.00164 126 4XY -0.00015 0.00013 0.00153 0.00058 -0.00227 127 4XZ 0.00002 -0.00027 0.00029 -0.00137 -0.00041 128 4YZ -0.00002 -0.00014 -0.00213 -0.00036 0.00080 129 13 C 1S -0.00039 0.00129 0.00064 0.00012 -0.00135 130 2S 0.00116 -0.00422 -0.00133 -0.00136 0.00535 131 2PX -0.00065 0.00195 -0.00574 0.00031 -0.00891 132 2PY -0.00002 -0.00011 0.00098 -0.00095 0.00153 133 2PZ -0.00069 -0.00004 0.00142 0.00194 -0.00281 134 3S 0.00118 -0.00192 -0.00083 0.00432 0.00077 135 3PX 0.00034 -0.00243 -0.01020 -0.00500 -0.00259 136 3PY -0.00008 0.00013 0.00151 -0.00074 0.00282 137 3PZ -0.00087 0.00277 0.00576 0.00354 -0.00502 138 4XX -0.00009 0.00024 -0.00077 0.00016 -0.00181 139 4YY 0.00006 -0.00029 0.00033 -0.00018 0.00092 140 4ZZ 0.00008 -0.00003 0.00076 -0.00021 0.00142 141 4XY 0.00007 -0.00019 -0.00037 -0.00018 0.00016 142 4XZ -0.00014 0.00024 -0.00020 0.00009 -0.00077 143 4YZ 0.00006 -0.00016 -0.00039 -0.00016 0.00017 144 14 H 1S -0.00075 0.00113 -0.00549 0.00110 -0.01054 145 2S -0.00188 0.00485 -0.00406 0.00359 -0.01802 146 15 H 1S 0.00069 -0.00069 0.00147 -0.00146 0.00603 147 2S 0.00020 0.00164 0.00744 0.00061 0.00628 148 16 C 1S -0.00009 0.00039 0.00158 0.00114 0.00051 149 2S 0.00052 -0.00105 0.00092 -0.00116 0.00292 150 2PX -0.00017 0.00027 0.01972 0.00259 0.02115 151 2PY 0.00055 -0.00153 -0.00494 -0.00048 -0.00426 152 2PZ -0.00025 0.00169 0.01110 0.00048 0.01012 153 3S -0.00053 -0.00236 -0.01903 -0.01321 -0.00824 154 3PX -0.00032 0.00078 0.02636 0.00244 0.02676 155 3PY 0.00142 -0.00475 -0.01302 -0.00295 -0.00317 156 3PZ -0.00163 0.00314 0.00753 0.00034 0.00594 157 4XX -0.00002 0.00001 -0.00029 0.00030 -0.00057 158 4YY 0.00011 -0.00033 0.00058 0.00015 0.00095 159 4ZZ -0.00003 0.00032 0.00089 -0.00001 0.00058 160 4XY 0.00008 -0.00014 0.00036 0.00008 0.00053 161 4XZ -0.00020 0.00077 0.00052 0.00014 -0.00080 162 4YZ 0.00001 0.00003 0.00014 -0.00003 0.00022 163 17 H 1S 0.00008 -0.00056 0.00302 0.00024 0.00495 164 2S 0.00126 -0.00370 -0.00499 0.00402 0.00039 165 18 C 1S -0.00024 0.00051 0.00142 -0.00020 0.00085 166 2S 0.00040 -0.00074 -0.00720 -0.00043 -0.00664 167 2PX -0.00273 0.01375 0.01719 0.00051 0.00487 168 2PY 0.00049 -0.00203 -0.00332 0.00144 -0.00153 169 2PZ -0.00115 0.00439 -0.00059 0.00147 -0.00670 170 3S -0.00015 -0.00074 0.00736 0.00509 0.00585 171 3PX -0.00195 0.01019 0.00670 -0.00028 -0.00600 172 3PY -0.00126 0.00072 0.00289 0.00054 0.00274 173 3PZ -0.00166 0.00435 -0.00363 -0.00144 -0.00818 174 4XX -0.00017 0.00027 0.00130 -0.00025 0.00107 175 4YY -0.00007 -0.00002 -0.00065 -0.00004 -0.00080 176 4ZZ -0.00002 -0.00001 -0.00112 -0.00023 -0.00141 177 4XY 0.00008 0.00029 -0.00025 0.00011 -0.00019 178 4XZ -0.00001 0.00002 -0.00033 -0.00005 -0.00033 179 4YZ 0.00008 0.00000 0.00021 -0.00010 0.00051 180 19 H 1S -0.00001 -0.00025 -0.00532 0.00027 -0.00633 181 2S -0.00026 0.00023 0.00085 0.00119 -0.00123 182 20 C 1S 0.00008 0.00022 0.00182 0.00052 0.00132 183 2S -0.00012 0.00051 0.00170 0.00095 -0.00127 184 2PX 0.00133 -0.00312 0.00844 -0.00290 0.01978 185 2PY 0.00049 -0.00071 -0.00194 -0.00109 -0.00003 186 2PZ 0.00019 0.00087 0.00164 -0.00057 0.00550 187 3S 0.00079 -0.00656 -0.02642 -0.01355 -0.00642 188 3PX 0.00309 -0.00523 0.01353 -0.00267 0.02601 189 3PY 0.00191 -0.00147 0.00504 -0.00064 0.00480 190 3PZ 0.00073 -0.00065 -0.00322 -0.00341 0.01056 191 4XX 0.00025 -0.00041 -0.00019 -0.00005 0.00043 192 4YY 0.00010 -0.00011 0.00062 0.00029 0.00024 193 4ZZ -0.00014 0.00084 0.00138 0.00042 -0.00014 194 4XY 0.00001 -0.00001 -0.00045 -0.00011 -0.00060 195 4XZ -0.00007 0.00060 0.00023 0.00011 -0.00026 196 4YZ 0.00002 -0.00010 -0.00002 -0.00001 0.00001 197 21 H 1S 0.00039 -0.00123 -0.00024 -0.00021 0.00102 198 2S -0.00300 0.00521 0.00344 0.00798 -0.00897 199 22 C 1S -0.00061 0.00104 0.00130 0.00009 0.00129 200 2S 0.00018 -0.00176 -0.00803 -0.00051 -0.00801 201 2PX -0.00127 0.01168 0.00758 -0.00141 0.00480 202 2PY 0.00009 -0.00037 0.00120 -0.00214 0.00081 203 2PZ 0.00104 -0.00099 -0.00410 -0.00306 0.00058 204 3S 0.00411 -0.00267 0.01140 0.00362 0.00035 205 3PX -0.00280 0.00948 0.00041 -0.00075 -0.00496 206 3PY -0.00118 0.00051 -0.00069 0.00123 -0.00707 207 3PZ -0.00032 0.00106 -0.00941 -0.00380 -0.00622 208 4XX -0.00062 0.00065 0.00148 -0.00002 0.00094 209 4YY -0.00016 0.00007 -0.00078 0.00000 -0.00091 210 4ZZ -0.00024 0.00006 -0.00094 -0.00005 -0.00148 211 4XY 0.00015 -0.00052 -0.00072 -0.00025 -0.00004 212 4XZ -0.00002 0.00006 0.00003 0.00001 -0.00021 213 4YZ 0.00020 -0.00047 -0.00039 -0.00028 0.00014 214 23 H 1S 0.00080 -0.00351 -0.00578 -0.00202 -0.00291 215 2S 0.00072 -0.00225 0.00003 -0.00069 0.00740 81 82 83 84 85 81 3S 0.45950 82 3PX 0.03429 0.10415 83 3PY -0.00889 0.00446 0.06010 84 3PZ -0.02189 0.03148 -0.00398 0.11349 85 4XX -0.00362 0.00121 0.00196 0.00112 0.00073 86 4YY -0.00385 -0.00159 -0.00119 0.00156 -0.00019 87 4ZZ -0.00582 -0.00097 0.00113 -0.00150 0.00045 88 4XY -0.00348 0.00033 0.00018 -0.00728 0.00001 89 4XZ -0.00919 0.00042 -0.00231 -0.00030 -0.00015 90 4YZ 0.00299 -0.00741 0.00013 -0.00196 -0.00001 91 7 H 1S -0.04809 0.00861 0.01642 -0.00705 0.00148 92 2S -0.01869 0.01662 0.01470 -0.01243 0.00229 93 8 H 1S 0.00153 -0.00036 -0.00645 0.00469 0.00027 94 2S -0.01971 0.00460 0.00037 0.01178 0.00065 95 9 H 1S 0.03400 0.02019 0.01661 -0.00912 -0.00146 96 2S 0.06759 0.03739 0.01458 -0.01426 -0.00134 97 10 H 1S 0.11403 -0.06227 0.03552 0.05390 0.00183 98 2S 0.00565 -0.05396 0.02310 0.04437 0.00277 99 11 O 1S -0.00227 0.00285 0.00285 -0.00264 0.00018 100 2S 0.01416 -0.00433 -0.00894 0.00571 -0.00021 101 2PX -0.08939 -0.02403 0.07029 -0.05599 0.00036 102 2PY 0.08911 0.01287 -0.04132 0.00376 -0.00004 103 2PZ 0.10139 -0.04996 -0.07517 -0.04058 -0.00105 104 3S 0.00527 -0.00657 -0.01192 0.00181 -0.00154 105 3PX -0.06705 -0.02067 0.05075 -0.04063 0.00027 106 3PY 0.05110 0.00899 -0.02580 0.00195 -0.00036 107 3PZ 0.07111 -0.03627 -0.05284 -0.03124 -0.00090 108 4XX -0.00216 -0.00054 0.00135 -0.00056 0.00005 109 4YY 0.00487 0.00093 -0.00173 0.00046 0.00009 110 4ZZ -0.00119 0.00016 0.00053 0.00071 0.00004 111 4XY -0.00273 -0.00084 0.00244 -0.00244 0.00000 112 4XZ 0.00078 -0.00040 -0.00052 -0.00028 -0.00003 113 4YZ 0.00437 -0.00211 -0.00316 -0.00185 -0.00002 114 12 O 1S 0.00432 -0.00585 0.00057 0.00420 -0.00020 115 2S -0.02225 0.00614 0.00627 -0.00302 0.00032 116 2PX 0.21732 0.01400 -0.02671 -0.03299 0.00415 117 2PY 0.11911 0.06126 -0.03444 -0.05339 0.00223 118 2PZ -0.21995 -0.04815 0.03444 0.00371 0.00295 119 3S 0.00791 0.02598 -0.01111 -0.02039 -0.00031 120 3PX 0.16324 0.01088 -0.01497 -0.03131 0.00253 121 3PY 0.06378 0.03200 -0.01507 -0.02878 0.00156 122 3PZ -0.16066 -0.04021 0.01921 0.00024 0.00168 123 4XX 0.00185 -0.00015 -0.00053 -0.00049 0.00004 124 4YY -0.00778 -0.00386 0.00298 0.00319 -0.00003 125 4ZZ 0.00076 0.00067 -0.00028 0.00034 0.00003 126 4XY -0.00524 0.00084 0.00267 -0.00077 -0.00030 127 4XZ -0.00059 0.00003 -0.00024 -0.00018 -0.00001 128 4YZ 0.00694 0.00013 -0.00326 0.00017 -0.00023 129 13 C 1S 0.00229 0.00019 0.00071 -0.00131 0.00002 130 2S -0.00487 0.00056 -0.00199 0.00421 -0.00008 131 2PX 0.00562 -0.00461 0.00192 -0.00807 0.00042 132 2PY 0.00006 0.00347 0.00230 0.00314 0.00030 133 2PZ 0.00544 0.00379 -0.00119 -0.00295 -0.00006 134 3S -0.00104 0.00051 -0.00072 -0.00144 0.00030 135 3PX -0.00148 -0.00561 -0.00232 -0.00286 0.00014 136 3PY 0.00269 0.00238 -0.00103 0.00349 0.00036 137 3PZ 0.00523 0.00310 0.00127 -0.00429 0.00018 138 4XX 0.00131 -0.00038 0.00027 -0.00137 0.00003 139 4YY -0.00062 0.00035 -0.00035 0.00065 -0.00002 140 4ZZ -0.00093 0.00019 -0.00004 0.00104 0.00000 141 4XY -0.00072 -0.00021 -0.00040 0.00007 -0.00002 142 4XZ 0.00072 -0.00016 0.00023 -0.00056 0.00001 143 4YZ -0.00019 0.00000 -0.00031 0.00004 0.00000 144 14 H 1S 0.00696 -0.00311 0.00147 -0.00842 0.00024 145 2S 0.01232 -0.00338 0.00438 -0.01277 0.00024 146 15 H 1S -0.00537 -0.00095 0.00037 0.00493 0.00001 147 2S -0.00422 0.00139 0.00172 0.00494 0.00010 148 16 C 1S 0.00229 0.00053 -0.00038 -0.00010 0.00013 149 2S -0.00655 0.00107 -0.00023 0.00315 -0.00016 150 2PX -0.00210 0.00819 0.00180 0.01433 -0.00025 151 2PY -0.00317 -0.00315 -0.00391 -0.00259 -0.00017 152 2PZ -0.00521 0.00395 0.00724 0.00923 0.00024 153 3S -0.01250 -0.00883 -0.00451 -0.00285 -0.00063 154 3PX 0.00774 0.01390 -0.00202 0.01957 0.00009 155 3PY -0.01420 -0.00661 0.00268 -0.00203 -0.00019 156 3PZ -0.00026 0.00308 0.00728 0.00484 -0.00003 157 4XX 0.00091 -0.00006 -0.00030 -0.00064 0.00003 158 4YY 0.00014 0.00067 0.00003 0.00061 0.00000 159 4ZZ -0.00028 0.00018 0.00022 0.00052 0.00003 160 4XY -0.00052 0.00014 -0.00016 0.00033 -0.00001 161 4XZ 0.00071 -0.00011 0.00016 -0.00046 0.00003 162 4YZ -0.00029 0.00011 0.00023 0.00014 0.00001 163 17 H 1S -0.00070 0.00281 0.00208 0.00329 -0.00003 164 2S -0.01094 -0.00174 0.01015 -0.00133 0.00001 165 18 C 1S 0.00160 0.00191 -0.00117 0.00028 -0.00005 166 2S -0.00487 -0.00597 0.00298 -0.00367 0.00004 167 2PX -0.00557 -0.00073 0.00713 0.00657 0.00042 168 2PY 0.00258 -0.00045 0.00007 -0.00185 0.00017 169 2PZ 0.00498 -0.00425 -0.00151 -0.00534 0.00000 170 3S -0.00155 0.00207 -0.00032 0.00513 0.00022 171 3PX -0.00132 -0.00471 0.00347 -0.00201 0.00033 172 3PY 0.00314 0.00283 -0.00107 0.00164 -0.00013 173 3PZ -0.00182 -0.00468 0.00353 -0.00505 0.00006 174 4XX 0.00016 0.00074 -0.00009 0.00070 -0.00001 175 4YY 0.00052 -0.00035 -0.00005 -0.00059 0.00000 176 4ZZ -0.00001 -0.00066 -0.00035 -0.00088 -0.00002 177 4XY -0.00041 -0.00037 -0.00002 -0.00022 0.00000 178 4XZ 0.00029 -0.00006 -0.00007 -0.00028 0.00002 179 4YZ -0.00080 0.00007 0.00028 0.00051 0.00002 180 19 H 1S 0.00139 -0.00384 -0.00156 -0.00496 -0.00017 181 2S 0.00546 0.00014 -0.00392 -0.00213 -0.00022 182 20 C 1S -0.00042 0.00062 0.00124 0.00069 0.00023 183 2S 0.00410 0.00266 -0.00291 -0.00129 -0.00028 184 2PX -0.01709 0.00877 -0.00590 0.01610 -0.00071 185 2PY -0.00863 -0.00344 -0.00493 0.00050 -0.00043 186 2PZ 0.00233 0.00127 -0.00639 0.00058 -0.00044 187 3S -0.00646 -0.01535 -0.01014 -0.00455 -0.00093 188 3PX -0.02324 0.01166 -0.00035 0.01869 -0.00045 189 3PY -0.01559 0.00148 0.00287 0.00256 0.00011 190 3PZ -0.00061 -0.00088 -0.00758 0.00540 -0.00009 191 4XX -0.00085 -0.00023 0.00027 0.00018 0.00013 192 4YY -0.00045 0.00045 -0.00018 0.00039 -0.00006 193 4ZZ 0.00126 0.00069 0.00063 -0.00004 -0.00003 194 4XY 0.00011 -0.00033 -0.00003 -0.00044 -0.00002 195 4XZ -0.00008 -0.00014 0.00058 -0.00024 0.00003 196 4YZ -0.00013 0.00004 0.00028 0.00013 0.00001 197 21 H 1S -0.00531 -0.00023 -0.00454 0.00171 -0.00047 198 2S 0.02011 0.00258 -0.00610 -0.00487 -0.00023 199 22 C 1S -0.00189 0.00038 -0.00070 0.00113 -0.00037 200 2S 0.00566 -0.00381 -0.00141 -0.00581 -0.00004 201 2PX -0.00929 -0.00234 0.00150 0.00342 -0.00016 202 2PY 0.00189 0.00164 -0.00341 0.00085 -0.00025 203 2PZ -0.01492 -0.00409 0.00270 0.00398 0.00024 204 3S 0.00229 0.00816 0.00543 -0.00029 0.00032 205 3PX -0.00687 -0.00525 0.00288 -0.00272 0.00000 206 3PY 0.00344 -0.00069 -0.00084 -0.00401 -0.00027 207 3PZ -0.00207 -0.00760 -0.00297 -0.00243 -0.00018 208 4XX 0.00017 0.00080 -0.00004 0.00080 0.00000 209 4YY -0.00042 -0.00064 0.00018 -0.00046 -0.00003 210 4ZZ 0.00024 -0.00060 0.00013 -0.00100 -0.00001 211 4XY 0.00011 0.00005 -0.00044 -0.00021 -0.00005 212 4XZ -0.00003 -0.00021 0.00018 -0.00015 0.00005 213 4YZ -0.00041 0.00009 0.00010 0.00025 0.00000 214 23 H 1S -0.00263 -0.00200 -0.00016 -0.00025 0.00006 215 2S -0.00704 0.00172 0.00213 0.00583 0.00035 86 87 88 89 90 86 4YY 0.00076 87 4ZZ -0.00012 0.00067 88 4XY -0.00002 0.00003 0.00129 89 4XZ 0.00030 -0.00004 0.00019 0.00064 90 4YZ 0.00000 -0.00003 -0.00055 -0.00014 0.00114 91 7 H 1S 0.00103 0.00109 0.00770 -0.00026 -0.00643 92 2S -0.00161 0.00173 0.00758 -0.00071 -0.00630 93 8 H 1S 0.00002 0.00004 -0.00079 -0.00006 0.00050 94 2S 0.00010 0.00013 -0.00236 -0.00024 0.00117 95 9 H 1S 0.00073 -0.00062 0.00101 0.00100 -0.00109 96 2S -0.00034 -0.00069 0.00142 0.00061 -0.00223 97 10 H 1S -0.00192 0.00012 -0.01085 -0.00773 0.00942 98 2S -0.00182 0.00191 -0.00986 -0.00483 0.00838 99 11 O 1S 0.00024 0.00015 0.00002 -0.00010 0.00002 100 2S -0.00038 -0.00017 0.00013 0.00030 -0.00028 101 2PX -0.00025 0.00116 -0.00152 0.00006 0.00315 102 2PY -0.00099 0.00004 0.00145 0.00061 -0.00174 103 2PZ -0.00011 -0.00059 0.00317 0.00011 -0.00043 104 3S 0.00046 -0.00129 -0.00065 0.00043 0.00053 105 3PX -0.00005 0.00094 -0.00135 -0.00005 0.00295 106 3PY -0.00037 -0.00031 0.00076 0.00041 -0.00102 107 3PZ -0.00022 -0.00043 0.00288 0.00019 -0.00032 108 4XX -0.00002 0.00005 0.00007 -0.00001 -0.00002 109 4YY -0.00008 0.00008 0.00003 0.00002 -0.00004 110 4ZZ -0.00001 0.00003 0.00000 -0.00001 -0.00006 111 4XY -0.00006 0.00002 0.00005 0.00001 -0.00004 112 4XZ 0.00001 -0.00002 -0.00002 0.00001 0.00003 113 4YZ 0.00003 0.00000 -0.00004 -0.00001 0.00003 114 12 O 1S -0.00114 -0.00019 -0.00037 -0.00003 0.00035 115 2S 0.00219 0.00050 0.00052 0.00054 -0.00068 116 2PX -0.00410 -0.00270 0.00339 -0.00015 0.00655 117 2PY -0.00779 0.00001 -0.00421 -0.00291 0.00466 118 2PZ 0.00411 -0.00457 0.00645 0.00199 0.00456 119 3S 0.00153 -0.00067 0.00004 0.00046 0.00039 120 3PX -0.00315 -0.00165 0.00284 -0.00040 0.00424 121 3PY -0.00438 0.00034 -0.00218 -0.00177 0.00244 122 3PZ 0.00292 -0.00270 0.00402 0.00147 0.00355 123 4XX -0.00014 0.00002 -0.00013 0.00001 0.00015 124 4YY 0.00037 0.00012 0.00036 0.00003 -0.00042 125 4ZZ -0.00012 0.00001 -0.00014 0.00001 0.00007 126 4XY 0.00010 0.00017 -0.00002 -0.00006 -0.00048 127 4XZ 0.00004 -0.00003 0.00006 0.00004 -0.00001 128 4YZ -0.00015 0.00035 -0.00050 -0.00008 -0.00012 129 13 C 1S 0.00017 -0.00008 0.00001 0.00001 -0.00003 130 2S -0.00037 0.00015 -0.00005 -0.00005 -0.00008 131 2PX 0.00031 -0.00054 0.00021 0.00038 0.00020 132 2PY -0.00023 0.00001 0.00006 -0.00021 0.00018 133 2PZ -0.00022 -0.00027 0.00009 0.00023 0.00008 134 3S -0.00086 0.00007 0.00006 -0.00038 0.00084 135 3PX 0.00008 -0.00017 0.00019 0.00034 0.00008 136 3PY -0.00022 -0.00007 0.00007 -0.00016 0.00037 137 3PZ -0.00008 -0.00028 0.00019 -0.00006 0.00030 138 4XX 0.00002 -0.00008 0.00004 0.00007 0.00003 139 4YY -0.00003 0.00002 -0.00002 -0.00001 -0.00002 140 4ZZ 0.00002 0.00004 -0.00003 -0.00005 -0.00004 141 4XY -0.00001 0.00005 -0.00004 -0.00004 0.00001 142 4XZ 0.00002 -0.00005 0.00002 0.00004 0.00001 143 4YZ 0.00000 0.00003 -0.00003 -0.00004 0.00002 144 14 H 1S 0.00008 -0.00049 0.00027 0.00041 0.00024 145 2S 0.00035 -0.00062 0.00037 0.00045 0.00027 146 15 H 1S 0.00006 0.00027 -0.00014 -0.00026 -0.00014 147 2S 0.00024 0.00020 -0.00013 -0.00040 -0.00018 148 16 C 1S 0.00004 -0.00009 -0.00008 0.00002 -0.00004 149 2S -0.00019 0.00027 -0.00017 -0.00010 0.00013 150 2PX 0.00010 -0.00031 -0.00010 0.00025 -0.00075 151 2PY -0.00015 0.00025 -0.00015 -0.00016 0.00013 152 2PZ 0.00005 -0.00028 0.00006 0.00025 -0.00013 153 3S -0.00027 0.00034 0.00082 0.00022 0.00034 154 3PX 0.00004 -0.00041 -0.00041 0.00026 -0.00123 155 3PY 0.00010 0.00019 -0.00002 0.00020 0.00026 156 3PZ 0.00010 -0.00038 0.00020 0.00039 -0.00047 157 4XX -0.00001 -0.00002 0.00000 0.00001 -0.00003 158 4YY -0.00002 0.00000 -0.00003 0.00001 0.00000 159 4ZZ 0.00004 -0.00001 -0.00004 -0.00003 0.00000 160 4XY -0.00001 0.00002 -0.00001 -0.00002 -0.00002 161 4XZ 0.00006 -0.00004 0.00004 -0.00003 -0.00001 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S -0.00004 -0.00002 -0.00001 0.00009 -0.00004 164 2S 0.00008 0.00003 -0.00028 0.00022 0.00048 165 18 C 1S 0.00000 -0.00005 0.00002 -0.00003 -0.00004 166 2S -0.00006 0.00008 0.00023 0.00012 0.00038 167 2PX 0.00129 -0.00042 0.00047 -0.00079 -0.00035 168 2PY -0.00005 0.00001 -0.00006 0.00003 -0.00002 169 2PZ 0.00045 -0.00025 0.00051 -0.00021 -0.00017 170 3S 0.00015 0.00020 -0.00040 -0.00030 -0.00011 171 3PX 0.00094 -0.00036 0.00064 -0.00054 0.00004 172 3PY 0.00005 0.00002 -0.00004 -0.00006 -0.00038 173 3PZ 0.00030 -0.00034 0.00063 0.00002 0.00021 174 4XX 0.00002 -0.00003 -0.00005 -0.00001 -0.00004 175 4YY 0.00000 0.00000 0.00004 0.00002 0.00004 176 4ZZ -0.00002 0.00002 0.00004 -0.00001 0.00007 177 4XY 0.00005 0.00003 -0.00001 -0.00007 0.00001 178 4XZ 0.00001 -0.00001 -0.00001 0.00000 0.00000 179 4YZ 0.00001 -0.00001 -0.00001 -0.00001 0.00002 180 19 H 1S -0.00005 0.00006 0.00024 0.00005 0.00012 181 2S -0.00003 0.00012 0.00005 -0.00009 -0.00034 182 20 C 1S 0.00002 0.00015 0.00002 -0.00012 0.00010 183 2S 0.00005 0.00012 -0.00010 0.00009 -0.00035 184 2PX -0.00037 0.00126 -0.00105 -0.00138 -0.00027 185 2PY 0.00016 0.00023 -0.00040 -0.00005 -0.00021 186 2PZ 0.00031 0.00097 -0.00063 -0.00070 -0.00023 187 3S 0.00066 0.00035 0.00020 0.00062 -0.00019 188 3PX -0.00001 0.00086 -0.00135 -0.00086 -0.00098 189 3PY 0.00018 -0.00014 -0.00025 -0.00009 0.00011 190 3PZ 0.00013 0.00056 -0.00068 -0.00059 0.00025 191 4XX -0.00002 -0.00008 0.00002 0.00003 0.00005 192 4YY -0.00004 0.00004 -0.00004 -0.00002 -0.00006 193 4ZZ 0.00005 0.00000 0.00000 -0.00001 -0.00006 194 4XY 0.00002 0.00000 -0.00001 0.00003 -0.00001 195 4XZ 0.00008 -0.00006 0.00001 -0.00001 0.00002 196 4YZ -0.00002 -0.00002 0.00001 0.00002 0.00001 197 21 H 1S -0.00004 0.00030 -0.00034 -0.00009 -0.00029 198 2S -0.00066 0.00028 0.00004 -0.00030 0.00013 199 22 C 1S -0.00014 -0.00028 -0.00003 -0.00018 -0.00010 200 2S 0.00000 0.00031 0.00018 0.00035 0.00020 201 2PX 0.00151 0.00048 -0.00032 -0.00157 -0.00018 202 2PY -0.00007 0.00016 -0.00006 0.00023 -0.00001 203 2PZ 0.00004 -0.00016 0.00010 -0.00009 0.00049 204 3S -0.00026 -0.00003 -0.00014 0.00050 -0.00047 205 3PX 0.00101 0.00018 0.00010 -0.00104 0.00024 206 3PY 0.00005 0.00022 0.00030 0.00006 -0.00008 207 3PZ 0.00033 0.00023 0.00005 -0.00024 0.00026 208 4XX 0.00000 -0.00001 -0.00002 -0.00006 -0.00004 209 4YY 0.00000 0.00002 0.00002 -0.00001 0.00003 210 4ZZ 0.00001 -0.00001 0.00006 0.00003 0.00004 211 4XY -0.00004 0.00004 -0.00005 0.00001 0.00000 212 4XZ 0.00001 -0.00006 0.00002 0.00002 0.00000 213 4YZ -0.00005 0.00001 -0.00001 0.00003 0.00004 214 23 H 1S -0.00031 0.00003 0.00013 0.00048 0.00036 215 2S -0.00031 -0.00029 -0.00006 0.00028 0.00044 91 92 93 94 95 91 7 H 1S 0.21414 92 2S 0.15744 0.14245 93 8 H 1S -0.01073 -0.01975 0.21296 94 2S -0.01903 -0.03165 0.15567 0.13508 95 9 H 1S 0.00190 0.00798 -0.02294 -0.02499 0.21302 96 2S 0.00780 0.02057 -0.02490 -0.02592 0.15560 97 10 H 1S -0.02355 -0.02666 0.00188 0.00777 -0.01080 98 2S -0.02665 -0.03291 0.00797 0.02052 -0.01990 99 11 O 1S 0.00335 -0.00439 0.00292 -0.00319 0.00153 100 2S -0.00655 0.00743 -0.00575 0.00553 -0.00247 101 2PX 0.01117 -0.04116 0.00375 0.03203 -0.01721 102 2PY -0.01622 -0.04933 -0.01526 -0.04150 -0.00850 103 2PZ -0.01344 0.02641 0.03118 -0.01489 0.00003 104 3S -0.02294 0.00403 -0.01742 0.00470 -0.01387 105 3PX 0.00638 -0.03223 0.00474 0.02746 -0.01665 106 3PY -0.01354 -0.02999 -0.01309 -0.02720 -0.00833 107 3PZ -0.00825 0.02282 0.02223 -0.01176 0.00135 108 4XX 0.00157 0.00142 0.00060 0.00059 0.00073 109 4YY -0.00074 -0.00315 -0.00055 -0.00245 0.00024 110 4ZZ 0.00098 0.00127 0.00132 0.00117 0.00052 111 4XY 0.00143 -0.00006 -0.00096 -0.00075 -0.00009 112 4XZ -0.00092 -0.00063 -0.00055 -0.00046 -0.00006 113 4YZ -0.00146 -0.00071 0.00205 0.00055 -0.00032 114 12 O 1S 0.00161 0.00255 0.00153 0.00186 0.00292 115 2S -0.00302 -0.00552 -0.00250 -0.00306 -0.00572 116 2PX 0.01275 0.02902 -0.01657 -0.02923 0.00465 117 2PY 0.01192 0.02024 0.00954 0.01627 0.01509 118 2PZ -0.01072 -0.02177 0.00009 0.00566 0.03100 119 3S -0.01169 -0.01012 -0.01373 -0.01278 -0.01757 120 3PX 0.01309 0.02574 -0.01599 -0.02577 0.00547 121 3PY 0.01047 0.01431 0.00930 0.01249 0.01291 122 3PZ -0.01102 -0.01979 0.00135 0.00580 0.02214 123 4XX 0.00045 0.00041 0.00072 0.00072 0.00072 124 4YY 0.00014 -0.00034 0.00022 -0.00006 -0.00065 125 4ZZ 0.00045 0.00037 0.00050 0.00058 0.00133 126 4XY 0.00017 -0.00002 0.00005 0.00022 0.00089 127 4XZ -0.00006 -0.00011 -0.00003 -0.00009 -0.00067 128 4YZ -0.00014 -0.00016 0.00032 0.00033 -0.00202 129 13 C 1S -0.00047 -0.00122 0.00293 0.00053 0.00290 130 2S 0.00074 0.00297 -0.00576 -0.00233 -0.00589 131 2PX -0.00094 -0.00383 0.00943 0.00736 0.00845 132 2PY -0.00061 -0.00137 0.01167 0.01248 -0.01216 133 2PZ -0.00078 -0.00029 0.00900 -0.00044 0.00907 134 3S 0.00357 0.00664 -0.00669 -0.00083 -0.00615 135 3PX -0.00042 -0.00106 0.00257 0.00264 0.00142 136 3PY -0.00107 -0.00159 0.00806 0.00792 -0.00827 137 3PZ -0.00117 -0.00086 0.01495 0.00747 0.01493 138 4XX -0.00030 -0.00061 0.00086 0.00041 0.00097 139 4YY 0.00008 0.00034 -0.00033 -0.00046 -0.00043 140 4ZZ 0.00011 0.00017 0.00009 0.00059 0.00003 141 4XY -0.00020 -0.00055 -0.00100 -0.00107 0.00085 142 4XZ -0.00015 -0.00042 0.00054 0.00002 0.00058 143 4YZ -0.00026 -0.00057 0.00003 -0.00029 -0.00011 144 14 H 1S -0.00121 -0.00292 0.00656 0.00375 0.00652 145 2S -0.00236 -0.00579 0.00648 0.00212 0.00656 146 15 H 1S 0.00093 0.00125 -0.00551 0.00153 -0.00565 147 2S 0.00022 0.00025 0.00480 0.00732 0.00459 148 16 C 1S 0.00037 0.00053 0.00546 0.00417 -0.00170 149 2S -0.00108 -0.00110 -0.01272 -0.00746 0.00572 150 2PX 0.00494 0.01354 0.00284 0.00378 -0.01410 151 2PY -0.00068 -0.00349 0.00362 0.00326 0.00420 152 2PZ 0.00285 0.00498 0.02017 0.03219 -0.01071 153 3S -0.00042 -0.00127 -0.02741 -0.02195 0.00380 154 3PX 0.00298 0.01084 0.01021 0.00810 -0.01389 155 3PY 0.00016 -0.00446 -0.00138 0.00112 -0.01008 156 3PZ 0.00565 0.00763 0.00246 0.00816 -0.01195 157 4XX 0.00012 0.00024 -0.00068 -0.00150 0.00118 158 4YY -0.00006 0.00020 -0.00158 -0.00089 -0.00045 159 4ZZ -0.00030 -0.00077 0.00341 0.00317 -0.00057 160 4XY 0.00011 0.00020 0.00099 0.00074 0.00057 161 4XZ 0.00000 -0.00024 0.00280 0.00096 -0.00053 162 4YZ 0.00005 0.00010 0.00066 0.00105 0.00045 163 17 H 1S 0.00026 0.00248 -0.01126 -0.00893 -0.00194 164 2S 0.00088 -0.00114 -0.00580 0.00081 -0.01280 165 18 C 1S 0.00052 0.00048 -0.00260 -0.00382 0.00006 166 2S -0.00066 -0.00086 0.00800 0.01272 -0.00186 167 2PX 0.00311 0.00228 0.01350 0.00467 -0.01351 168 2PY 0.00104 0.00042 -0.00431 -0.00380 0.00305 169 2PZ 0.00087 0.00339 -0.00599 -0.02227 -0.00529 170 3S -0.00507 -0.00367 0.00467 0.00703 0.01504 171 3PX 0.00184 0.00128 0.01130 0.00194 -0.01125 172 3PY 0.00189 0.00249 -0.01462 -0.01434 0.01212 173 3PZ 0.00122 0.00101 -0.00282 -0.00863 -0.00996 174 4XX 0.00005 -0.00001 0.00025 -0.00003 -0.00031 175 4YY 0.00004 0.00008 0.00016 -0.00009 0.00008 176 4ZZ -0.00021 -0.00031 -0.00038 -0.00044 0.00031 177 4XY -0.00013 -0.00046 -0.00074 -0.00148 0.00098 178 4XZ -0.00012 -0.00031 -0.00120 -0.00118 0.00019 179 4YZ 0.00000 -0.00025 0.00003 0.00026 -0.00015 180 19 H 1S -0.00074 0.00072 -0.00175 -0.00621 0.00047 181 2S 0.00171 0.00357 -0.00478 -0.01063 0.00532 182 20 C 1S -0.00001 -0.00080 -0.00175 -0.00107 0.00520 183 2S 0.00054 0.00234 0.00559 0.00343 -0.01230 184 2PX -0.00166 -0.00642 -0.01505 -0.01909 0.00248 185 2PY -0.00053 -0.00367 -0.00358 -0.00424 -0.00348 186 2PZ -0.00147 -0.00536 -0.01138 -0.01685 0.01948 187 3S -0.00196 0.00111 0.00406 0.00014 -0.02551 188 3PX -0.00226 -0.00765 -0.01390 -0.01365 0.00976 189 3PY -0.00126 -0.00351 0.01014 0.00974 0.00041 190 3PZ -0.00184 -0.00682 -0.01254 -0.01549 0.00226 191 4XX -0.00006 -0.00014 0.00105 0.00139 -0.00070 192 4YY 0.00012 0.00020 -0.00036 -0.00025 -0.00142 193 4ZZ 0.00006 0.00006 -0.00059 -0.00090 0.00314 194 4XY -0.00003 -0.00019 -0.00066 -0.00052 -0.00095 195 4XZ -0.00021 -0.00048 -0.00058 -0.00104 0.00262 196 4YZ -0.00001 0.00003 -0.00039 -0.00022 -0.00078 197 21 H 1S 0.00017 -0.00092 -0.00189 -0.00267 -0.01069 198 2S 0.00304 0.00303 -0.01240 -0.01286 -0.00507 199 22 C 1S -0.00010 0.00008 0.00009 0.00042 -0.00239 200 2S 0.00016 -0.00020 -0.00195 -0.00384 0.00764 201 2PX -0.00200 -0.00840 -0.01424 -0.02761 0.01310 202 2PY -0.00067 -0.00088 -0.00177 -0.00444 0.00277 203 2PZ -0.00110 -0.00385 -0.00558 -0.00909 -0.00531 204 3S 0.00161 0.00152 0.01443 0.01471 0.00307 205 3PX -0.00230 -0.00654 -0.01242 -0.02031 0.01178 206 3PY 0.00020 0.00102 -0.01087 -0.01191 0.01367 207 3PZ -0.00144 -0.00344 -0.01005 -0.01487 -0.00177 208 4XX -0.00011 -0.00012 -0.00046 -0.00058 0.00038 209 4YY -0.00002 -0.00008 0.00019 0.00034 0.00008 210 4ZZ -0.00004 0.00019 0.00034 0.00026 -0.00036 211 4XY -0.00023 -0.00032 -0.00097 -0.00058 0.00070 212 4XZ 0.00003 0.00008 0.00022 0.00054 -0.00114 213 4YZ -0.00008 -0.00017 0.00019 0.00080 0.00003 214 23 H 1S -0.00024 -0.00053 0.00067 0.00068 -0.00175 215 2S -0.00053 -0.00090 0.00569 0.00771 -0.00494 96 97 98 99 100 96 2S 0.13484 97 10 H 1S -0.01912 0.21415 98 2S -0.03177 0.15734 0.14237 99 11 O 1S 0.00186 0.00161 0.00255 2.07866 100 2S -0.00308 -0.00303 -0.00552 -0.18191 0.50020 101 2PX -0.02964 0.01191 0.02754 0.00367 -0.01206 102 2PY -0.01456 -0.01272 -0.02218 0.04153 -0.08231 103 2PZ 0.00571 -0.01068 -0.02141 0.00075 -0.00319 104 3S -0.01274 -0.01178 -0.01021 -0.24418 0.59682 105 3PX -0.02614 0.01236 0.02469 0.00279 -0.00837 106 3PY -0.01093 -0.01130 -0.01600 0.03555 -0.06519 107 3PZ 0.00590 -0.01097 -0.01949 0.00045 -0.00163 108 4XX 0.00070 0.00043 0.00041 -0.01225 -0.01006 109 4YY -0.00004 0.00017 -0.00033 -0.01027 -0.01150 110 4ZZ 0.00059 0.00046 0.00038 -0.01271 -0.00905 111 4XY -0.00025 -0.00020 -0.00005 0.00024 -0.00044 112 4XZ -0.00012 -0.00005 -0.00009 -0.00140 0.00303 113 4YZ -0.00032 0.00014 0.00017 0.00019 -0.00044 114 12 O 1S -0.00324 0.00335 -0.00445 0.00019 -0.00032 115 2S 0.00556 -0.00655 0.00754 -0.00032 0.00239 116 2PX 0.03477 0.01240 -0.03763 -0.00011 0.00048 117 2PY 0.04026 0.01553 0.05226 0.00020 -0.00424 118 2PZ -0.01487 -0.01323 0.02707 -0.00004 0.00003 119 3S 0.00483 -0.02285 0.00427 -0.00107 -0.00264 120 3PX 0.02926 0.00743 -0.02996 -0.00017 0.00039 121 3PY 0.02599 0.01311 0.03220 0.00025 -0.00116 122 3PZ -0.01171 -0.00810 0.02331 0.00006 -0.00009 123 4XX 0.00069 0.00140 0.00141 0.00003 0.00032 124 4YY -0.00258 -0.00058 -0.00316 0.00011 0.00026 125 4ZZ 0.00118 0.00098 0.00127 0.00002 0.00035 126 4XY 0.00053 -0.00159 -0.00028 0.00000 0.00001 127 4XZ -0.00049 -0.00082 -0.00058 -0.00001 0.00000 128 4YZ -0.00053 0.00151 0.00073 -0.00002 0.00002 129 13 C 1S 0.00041 -0.00045 -0.00117 0.00030 -0.00032 130 2S -0.00230 0.00071 0.00291 0.00050 -0.00100 131 2PX 0.00578 -0.00086 -0.00367 0.00058 -0.00022 132 2PY -0.01273 0.00060 0.00140 0.00105 -0.00215 133 2PZ -0.00049 -0.00084 -0.00045 0.00017 0.00063 134 3S -0.00008 0.00340 0.00637 -0.00573 0.00916 135 3PX 0.00134 -0.00018 -0.00069 0.00198 -0.00199 136 3PY -0.00808 0.00103 0.00145 0.00167 -0.00333 137 3PZ 0.00751 -0.00122 -0.00101 -0.00089 0.00114 138 4XX 0.00050 -0.00027 -0.00053 0.00015 -0.00013 139 4YY -0.00055 0.00006 0.00028 0.00004 -0.00009 140 4ZZ 0.00054 0.00012 0.00018 0.00010 -0.00036 141 4XY 0.00093 0.00023 0.00062 -0.00010 0.00025 142 4XZ 0.00006 -0.00013 -0.00037 0.00008 -0.00005 143 4YZ 0.00022 0.00027 0.00059 0.00008 -0.00013 144 14 H 1S 0.00338 -0.00125 -0.00301 0.00054 -0.00010 145 2S 0.00184 -0.00246 -0.00598 0.00044 -0.00018 146 15 H 1S 0.00149 0.00093 0.00128 -0.00013 -0.00051 147 2S 0.00720 0.00021 0.00021 -0.00006 -0.00144 148 16 C 1S -0.00104 -0.00002 -0.00078 -0.00015 0.00123 149 2S 0.00366 0.00056 0.00245 0.00052 -0.00126 150 2PX -0.01756 -0.00142 -0.00565 -0.00203 0.00102 151 2PY 0.00520 0.00062 0.00398 -0.00161 0.00521 152 2PZ -0.01613 -0.00141 -0.00530 -0.00029 0.00096 153 3S 0.00005 -0.00180 0.00134 0.00421 -0.00147 154 3PX -0.01342 -0.00207 -0.00706 0.00255 -0.00816 155 3PY -0.00967 0.00149 0.00397 -0.00055 0.00488 156 3PZ -0.01490 -0.00188 -0.00695 -0.00157 0.00389 157 4XX 0.00148 -0.00006 -0.00013 0.00021 -0.00040 158 4YY -0.00031 0.00011 0.00018 0.00002 -0.00038 159 4ZZ -0.00090 0.00006 0.00008 -0.00008 -0.00011 160 4XY 0.00046 0.00004 0.00021 0.00007 -0.00021 161 4XZ -0.00100 -0.00022 -0.00050 0.00001 -0.00017 162 4YZ 0.00034 0.00002 0.00001 -0.00003 0.00002 163 17 H 1S -0.00267 0.00019 -0.00087 0.00116 -0.00350 164 2S -0.01313 0.00308 0.00300 -0.00356 0.00654 165 18 C 1S 0.00032 -0.00011 0.00006 0.00010 0.00083 166 2S -0.00363 0.00016 -0.00022 -0.00032 0.00075 167 2PX -0.02611 -0.00205 -0.00855 -0.00109 -0.00227 168 2PY 0.00720 0.00082 0.00151 -0.00096 0.00043 169 2PZ -0.00854 -0.00117 -0.00389 -0.00018 -0.00275 170 3S 0.01531 0.00163 0.00172 0.00329 -0.01037 171 3PX -0.01873 -0.00244 -0.00681 -0.00048 -0.00325 172 3PY 0.01390 -0.00007 -0.00053 0.00085 -0.00331 173 3PZ -0.01455 -0.00152 -0.00367 -0.00002 -0.00011 174 4XX -0.00047 -0.00009 -0.00008 -0.00006 0.00002 175 4YY 0.00028 -0.00005 -0.00012 0.00007 -0.00039 176 4ZZ 0.00020 -0.00005 0.00018 0.00001 0.00004 177 4XY 0.00062 0.00022 0.00030 0.00007 -0.00027 178 4XZ 0.00045 0.00003 0.00008 0.00012 -0.00021 179 4YZ -0.00076 0.00008 0.00016 0.00007 -0.00018 180 19 H 1S 0.00031 -0.00025 -0.00052 0.00049 -0.00109 181 2S 0.00714 -0.00054 -0.00085 -0.00087 0.00160 182 20 C 1S 0.00375 0.00036 0.00050 -0.00021 0.00050 183 2S -0.00680 -0.00099 -0.00084 0.00019 -0.00066 184 2PX 0.00287 0.00503 0.01353 -0.00061 0.00095 185 2PY -0.00317 0.00037 0.00255 -0.00085 0.00236 186 2PZ 0.03010 0.00282 0.00479 -0.00028 0.00097 187 3S -0.02003 -0.00041 -0.00094 0.00261 -0.00566 188 3PX 0.00720 0.00307 0.01109 -0.00044 0.00139 189 3PY -0.00189 -0.00027 0.00367 -0.00178 0.00296 190 3PZ 0.00745 0.00555 0.00746 -0.00061 0.00148 191 4XX -0.00142 0.00009 0.00016 -0.00002 0.00003 192 4YY -0.00078 -0.00004 0.00023 -0.00010 0.00021 193 4ZZ 0.00291 -0.00027 -0.00071 0.00002 -0.00017 194 4XY -0.00060 -0.00011 -0.00017 -0.00011 0.00024 195 4XZ 0.00085 0.00000 -0.00024 0.00001 -0.00019 196 4YZ -0.00103 -0.00005 -0.00007 0.00002 0.00004 197 21 H 1S -0.00831 0.00026 0.00242 -0.00056 0.00143 198 2S 0.00145 0.00087 -0.00117 -0.00052 0.00176 199 22 C 1S -0.00362 0.00049 0.00044 0.00012 0.00042 200 2S 0.01232 -0.00063 -0.00080 -0.00006 -0.00098 201 2PX 0.00434 0.00292 0.00192 -0.00047 -0.00305 202 2PY 0.00244 -0.00123 -0.00055 0.00060 0.00046 203 2PZ -0.02081 0.00081 0.00319 -0.00036 -0.00084 204 3S 0.00528 -0.00482 -0.00344 -0.00206 0.00521 205 3PX 0.00264 0.00163 0.00087 -0.00039 -0.00172 206 3PY 0.01388 -0.00201 -0.00255 0.00137 -0.00276 207 3PZ -0.00722 0.00108 0.00076 -0.00005 -0.00159 208 4XX 0.00018 0.00006 0.00004 0.00000 -0.00003 209 4YY -0.00023 0.00003 0.00002 -0.00012 0.00025 210 4ZZ -0.00042 -0.00022 -0.00031 0.00003 -0.00009 211 4XY 0.00140 0.00013 0.00048 -0.00001 0.00019 212 4XZ -0.00113 -0.00012 -0.00029 0.00000 0.00003 213 4YZ -0.00020 0.00002 0.00027 -0.00002 0.00012 214 23 H 1S -0.00605 -0.00074 0.00071 0.00005 0.00026 215 2S -0.01062 0.00169 0.00353 -0.00007 0.00075 101 102 103 104 105 101 2PX 0.71701 102 2PY -0.00774 0.60769 103 2PZ -0.13292 0.01229 0.66734 104 3S -0.00300 -0.25182 0.00344 0.76912 105 3PX 0.49187 -0.01610 -0.10470 0.00123 0.33987 106 3PY -0.00867 0.32681 0.01033 -0.15488 -0.01174 107 3PZ -0.10455 0.00700 0.45210 0.00323 -0.08102 108 4XX 0.00391 -0.00557 -0.00130 -0.01071 0.00268 109 4YY -0.00321 0.04256 -0.00076 -0.02494 -0.00287 110 4ZZ -0.00229 -0.00541 0.00135 -0.00954 -0.00150 111 4XY 0.03457 0.00202 -0.00047 -0.00059 0.02297 112 4XZ 0.00099 -0.00013 0.00356 0.00381 0.00061 113 4YZ -0.00065 0.00074 0.03440 -0.00009 -0.00096 114 12 O 1S -0.00012 -0.00020 -0.00005 -0.00107 -0.00018 115 2S 0.00079 0.00419 0.00000 -0.00266 0.00047 116 2PX 0.02592 -0.00165 0.02114 -0.00108 0.01892 117 2PY -0.00004 0.00012 0.00172 0.01428 0.00079 118 2PZ 0.02093 -0.00318 0.02812 -0.00068 0.01700 119 3S -0.00227 -0.01397 -0.00055 0.01497 -0.00077 120 3PX 0.01895 -0.00179 0.01720 -0.00035 0.01375 121 3PY 0.00026 0.00438 0.00173 0.00327 0.00040 122 3PZ 0.01797 -0.00176 0.01993 -0.00030 0.01457 123 4XX 0.00040 0.00117 0.00028 -0.00021 0.00027 124 4YY 0.00012 0.00039 -0.00021 -0.00176 -0.00001 125 4ZZ -0.00009 0.00134 -0.00027 -0.00023 -0.00010 126 4XY -0.00080 0.00024 -0.00074 0.00001 -0.00066 127 4XZ 0.00021 0.00014 0.00023 0.00011 0.00016 128 4YZ -0.00075 0.00008 -0.00098 0.00020 -0.00056 129 13 C 1S -0.00438 0.00090 -0.00340 -0.00254 -0.00320 130 2S 0.00280 0.00114 0.00830 -0.00077 0.00196 131 2PX -0.01476 0.00168 -0.01246 -0.00744 -0.01244 132 2PY -0.01054 0.00026 -0.00277 -0.00624 -0.00691 133 2PZ 0.00376 -0.00099 0.00145 -0.00634 0.00348 134 3S 0.05859 -0.02679 0.02183 0.02051 0.04027 135 3PX -0.01547 0.00978 -0.00177 -0.01135 -0.01174 136 3PY -0.02355 0.00346 -0.00699 -0.00736 -0.01543 137 3PZ 0.01894 -0.01217 0.01017 0.00303 0.01284 138 4XX -0.00244 0.00010 -0.00227 -0.00154 -0.00185 139 4YY 0.00058 -0.00001 0.00132 0.00018 0.00057 140 4ZZ 0.00002 0.00000 0.00101 0.00036 -0.00005 141 4XY -0.00095 0.00024 -0.00212 0.00016 -0.00068 142 4XZ -0.00075 0.00059 -0.00127 -0.00043 -0.00061 143 4YZ -0.00137 0.00033 -0.00194 -0.00039 -0.00099 144 14 H 1S -0.01016 0.00101 -0.01095 -0.00762 -0.00839 145 2S -0.01911 0.00110 -0.02431 -0.00685 -0.01452 146 15 H 1S 0.00273 -0.00006 0.00374 0.00543 0.00126 147 2S 0.00483 -0.00491 0.00976 0.00689 0.00251 148 16 C 1S 0.00867 -0.00172 0.00641 -0.00357 0.00452 149 2S -0.02072 -0.00021 -0.01387 -0.00537 -0.01164 150 2PX 0.05753 -0.00369 0.06139 0.02452 0.04360 151 2PY 0.00623 -0.00243 -0.01079 -0.00069 0.00203 152 2PZ 0.02996 -0.00213 0.02781 -0.00068 0.02250 153 3S -0.05048 0.04308 -0.02643 -0.02083 -0.03238 154 3PX -0.00793 0.00322 0.04311 0.00110 -0.00347 155 3PY 0.01153 0.01213 -0.03205 -0.00196 0.00830 156 3PZ 0.04421 0.00368 0.02217 0.00656 0.03092 157 4XX -0.00101 -0.00044 0.00042 -0.00103 -0.00126 158 4YY 0.00001 0.00023 0.00040 0.00027 0.00037 159 4ZZ -0.00009 -0.00033 -0.00122 0.00026 -0.00003 160 4XY 0.00177 -0.00037 0.00131 -0.00006 0.00115 161 4XZ -0.00127 -0.00070 0.00005 0.00064 -0.00108 162 4YZ 0.00048 -0.00020 0.00049 0.00011 0.00042 163 17 H 1S -0.00571 0.00360 0.00311 0.00087 -0.00094 164 2S 0.05466 -0.01141 -0.01293 0.01707 0.04130 165 18 C 1S 0.00124 0.00025 0.00298 -0.00374 -0.00050 166 2S 0.00126 0.00349 -0.00464 0.00045 0.00269 167 2PX 0.00684 -0.00508 0.02070 0.02727 0.00453 168 2PY 0.00610 0.00118 0.00770 0.01268 0.00427 169 2PZ -0.00578 -0.00167 0.00583 0.01495 -0.00496 170 3S -0.04025 -0.02011 -0.01852 -0.00834 -0.02737 171 3PX 0.00049 -0.00705 0.01784 0.01753 -0.00029 172 3PY -0.00784 -0.00350 -0.00329 -0.00015 -0.00639 173 3PZ 0.00678 0.01262 -0.01062 0.00677 0.00491 174 4XX 0.00215 0.00017 0.00160 0.00044 0.00143 175 4YY 0.00018 0.00052 0.00052 0.00005 0.00025 176 4ZZ -0.00234 0.00011 -0.00147 -0.00093 -0.00161 177 4XY -0.00104 0.00006 -0.00135 0.00040 -0.00091 178 4XZ -0.00176 0.00025 -0.00117 -0.00057 -0.00144 179 4YZ -0.00026 0.00010 0.00006 0.00011 -0.00015 180 19 H 1S -0.00747 0.00060 -0.00829 -0.00385 -0.00499 181 2S -0.00317 -0.00692 0.01091 0.00163 -0.00324 182 20 C 1S -0.00101 0.00044 -0.00554 0.00117 -0.00062 183 2S 0.00602 -0.00340 0.00885 0.00003 0.00424 184 2PX -0.00927 0.00758 -0.02728 0.00657 -0.00596 185 2PY -0.00236 0.00410 -0.01183 0.00413 -0.00248 186 2PZ -0.00895 0.00402 -0.02323 0.00039 -0.00778 187 3S -0.01916 0.00577 0.03479 -0.01056 -0.01210 188 3PX -0.00605 0.00783 -0.03725 0.00324 -0.00457 189 3PY 0.02289 -0.01212 -0.00736 0.00882 0.01543 190 3PZ -0.01579 0.00803 -0.02909 0.00033 -0.01121 191 4XX -0.00021 -0.00048 -0.00054 -0.00046 -0.00016 192 4YY 0.00088 -0.00007 -0.00013 0.00043 0.00067 193 4ZZ -0.00078 -0.00039 -0.00089 0.00039 -0.00074 194 4XY 0.00005 0.00018 -0.00062 0.00035 0.00006 195 4XZ -0.00085 -0.00026 -0.00160 0.00052 -0.00072 196 4YZ 0.00028 0.00022 0.00000 -0.00022 0.00024 197 21 H 1S 0.00159 0.00266 -0.00291 0.00349 0.00115 198 2S -0.00335 0.00918 -0.00751 0.00185 -0.00215 199 22 C 1S -0.00071 -0.00042 -0.00180 -0.00362 -0.00035 200 2S 0.00164 -0.00047 0.00416 0.00494 0.00123 201 2PX -0.02033 -0.00069 -0.02664 0.02125 -0.01665 202 2PY -0.00371 -0.00174 -0.00448 -0.01090 -0.00372 203 2PZ -0.00411 0.00038 -0.00705 0.01020 -0.00265 204 3S 0.02576 0.00444 0.01275 0.01171 0.01744 205 3PX -0.01255 -0.00293 -0.01850 0.01509 -0.01065 206 3PY -0.01142 -0.00417 -0.00705 -0.00683 -0.00888 207 3PZ -0.01597 -0.00239 -0.00375 0.00609 -0.01136 208 4XX -0.00050 -0.00020 -0.00098 -0.00009 -0.00039 209 4YY 0.00076 -0.00002 0.00027 0.00057 0.00060 210 4ZZ 0.00056 -0.00079 0.00100 -0.00049 0.00039 211 4XY -0.00042 0.00044 -0.00150 -0.00084 -0.00028 212 4XZ -0.00041 -0.00002 0.00011 -0.00010 -0.00030 213 4YZ 0.00046 0.00005 -0.00020 -0.00053 0.00042 214 23 H 1S 0.00323 -0.00071 0.00321 -0.00160 0.00258 215 2S 0.00824 -0.00052 0.00136 -0.00245 0.00640 106 107 108 109 110 106 3PY 0.17813 107 3PZ 0.00645 0.30853 108 4XX -0.00280 -0.00093 0.00051 109 4YY 0.02283 -0.00057 -0.00017 0.00331 110 4ZZ -0.00268 0.00095 0.00043 -0.00015 0.00044 111 4XY 0.00092 -0.00083 0.00019 -0.00002 -0.00014 112 4XZ -0.00013 0.00234 -0.00007 -0.00007 -0.00006 113 4YZ 0.00053 0.02265 -0.00005 -0.00005 0.00006 114 12 O 1S -0.00024 0.00006 0.00003 0.00011 0.00002 115 2S 0.00113 -0.00014 0.00032 0.00026 0.00035 116 2PX -0.00120 0.01806 0.00040 -0.00001 -0.00019 117 2PY 0.00435 0.00060 -0.00118 -0.00043 -0.00134 118 2PZ -0.00299 0.01998 0.00037 -0.00028 -0.00024 119 3S -0.00312 -0.00017 -0.00022 -0.00174 -0.00023 120 3PX -0.00111 0.01469 0.00030 -0.00009 -0.00015 121 3PY 0.00326 0.00088 -0.00050 0.00026 -0.00059 122 3PZ -0.00191 0.01416 0.00027 -0.00019 -0.00020 123 4XX 0.00049 0.00019 -0.00002 0.00010 -0.00002 124 4YY -0.00028 -0.00014 0.00010 0.00009 0.00010 125 4ZZ 0.00060 -0.00022 -0.00002 0.00010 -0.00002 126 4XY 0.00015 -0.00061 -0.00001 0.00001 0.00001 127 4XZ 0.00012 0.00020 0.00000 -0.00001 0.00000 128 4YZ 0.00009 -0.00076 -0.00002 0.00000 0.00001 129 13 C 1S 0.00010 -0.00286 0.00018 0.00009 0.00004 130 2S 0.00052 0.00764 -0.00024 0.00010 0.00007 131 2PX -0.00056 -0.01222 0.00067 0.00031 0.00021 132 2PY -0.00151 -0.00341 0.00051 -0.00011 0.00004 133 2PZ -0.00235 -0.00024 0.00041 0.00016 0.00049 134 3S -0.01483 0.01676 -0.00010 -0.00211 -0.00004 135 3PX 0.00379 -0.00208 0.00042 0.00090 0.00028 136 3PY 0.00119 -0.00561 0.00025 0.00031 0.00010 137 3PZ -0.00710 0.00581 0.00022 -0.00077 0.00009 138 4XX -0.00026 -0.00190 0.00010 0.00006 0.00006 139 4YY 0.00005 0.00103 -0.00001 -0.00002 0.00000 140 4ZZ 0.00022 0.00082 -0.00006 -0.00001 -0.00003 141 4XY 0.00016 -0.00167 0.00001 0.00002 0.00000 142 4XZ 0.00027 -0.00110 0.00003 0.00004 0.00000 143 4YZ 0.00009 -0.00154 0.00003 0.00000 -0.00001 144 14 H 1S -0.00120 -0.00986 0.00055 0.00032 0.00030 145 2S -0.00074 -0.02010 0.00057 0.00032 0.00014 146 15 H 1S 0.00137 0.00400 -0.00042 -0.00018 -0.00033 147 2S -0.00078 0.00727 -0.00043 -0.00050 -0.00039 148 16 C 1S -0.00230 0.00503 0.00030 0.00033 0.00056 149 2S -0.00064 -0.01007 0.00053 0.00015 0.00027 150 2PX 0.00334 0.04979 -0.00200 -0.00100 -0.00069 151 2PY -0.00208 -0.00786 -0.00016 0.00065 0.00054 152 2PZ -0.00142 0.02149 -0.00026 0.00022 0.00044 153 3S 0.02173 -0.01744 0.00036 0.00323 -0.00002 154 3PX 0.00533 0.03448 -0.00125 0.00013 -0.00001 155 3PY 0.00547 -0.02181 -0.00004 0.00111 0.00003 156 3PZ 0.00255 0.01751 -0.00041 0.00014 -0.00012 157 4XX -0.00036 -0.00001 0.00006 0.00002 0.00002 158 4YY 0.00025 0.00047 -0.00003 -0.00004 -0.00003 159 4ZZ -0.00007 -0.00092 -0.00005 -0.00002 -0.00001 160 4XY -0.00018 0.00103 -0.00003 0.00000 0.00001 161 4XZ -0.00018 -0.00024 -0.00001 -0.00007 -0.00006 162 4YZ -0.00010 0.00034 0.00001 -0.00001 -0.00001 163 17 H 1S 0.00281 0.00297 0.00008 -0.00035 -0.00039 164 2S -0.00598 -0.00828 0.00009 -0.00158 -0.00054 165 18 C 1S -0.00118 0.00119 0.00048 0.00048 0.00042 166 2S 0.00214 -0.00219 -0.00023 0.00017 -0.00006 167 2PX 0.00576 0.01388 -0.00180 -0.00088 -0.00174 168 2PY 0.00431 0.00484 -0.00064 -0.00029 -0.00093 169 2PZ 0.00304 0.00501 -0.00102 -0.00104 -0.00112 170 3S -0.00991 -0.01359 0.00024 -0.00110 0.00061 171 3PX 0.00189 0.01185 -0.00113 -0.00085 -0.00120 172 3PY -0.00056 -0.00286 0.00003 -0.00026 -0.00009 173 3PZ 0.00916 -0.00609 -0.00073 0.00049 -0.00092 174 4XX 0.00018 0.00109 -0.00004 0.00000 -0.00003 175 4YY 0.00040 0.00052 -0.00003 0.00000 -0.00004 176 4ZZ -0.00017 -0.00107 0.00006 0.00005 0.00005 177 4XY 0.00024 -0.00121 -0.00003 -0.00002 -0.00007 178 4XZ 0.00010 -0.00110 0.00005 0.00003 -0.00001 179 4YZ 0.00020 -0.00018 0.00000 0.00002 -0.00003 180 19 H 1S -0.00090 -0.00450 0.00005 -0.00015 0.00020 181 2S -0.00483 0.00774 0.00011 -0.00073 0.00027 182 20 C 1S 0.00070 -0.00464 0.00002 0.00006 -0.00007 183 2S -0.00258 0.00750 0.00000 -0.00038 0.00011 184 2PX 0.00622 -0.02309 -0.00015 -0.00003 -0.00055 185 2PY 0.00389 -0.01014 -0.00018 0.00041 -0.00011 186 2PZ 0.00199 -0.01823 0.00019 -0.00009 -0.00003 187 3S 0.00192 0.02721 0.00003 0.00030 0.00050 188 3PX 0.00529 -0.02955 -0.00003 0.00016 -0.00034 189 3PY -0.00594 -0.00623 -0.00001 -0.00081 -0.00016 190 3PZ 0.00457 -0.02250 0.00008 0.00024 -0.00006 191 4XX -0.00042 -0.00046 0.00004 -0.00001 0.00003 192 4YY 0.00007 -0.00006 -0.00002 0.00000 0.00000 193 4ZZ -0.00008 -0.00069 -0.00001 -0.00004 -0.00004 194 4XY 0.00016 -0.00048 0.00000 0.00000 0.00000 195 4XZ 0.00009 -0.00135 -0.00003 -0.00002 -0.00006 196 4YZ 0.00004 0.00004 0.00001 0.00002 0.00001 197 21 H 1S 0.00257 -0.00270 -0.00019 0.00016 -0.00007 198 2S 0.00623 -0.00583 -0.00019 0.00058 -0.00013 199 22 C 1S -0.00111 -0.00133 0.00025 0.00018 0.00031 200 2S 0.00100 0.00344 -0.00021 -0.00036 -0.00039 201 2PX 0.00668 -0.02352 -0.00110 -0.00085 -0.00184 202 2PY -0.00454 -0.00312 0.00073 0.00029 0.00087 203 2PZ 0.00388 -0.00730 -0.00054 -0.00006 -0.00087 204 3S 0.00321 0.00918 -0.00051 -0.00004 -0.00075 205 3PX 0.00316 -0.01653 -0.00066 -0.00064 -0.00132 206 3PY -0.00325 -0.00496 0.00041 -0.00005 0.00041 207 3PZ 0.00112 -0.00457 -0.00022 -0.00037 -0.00047 208 4XX -0.00011 -0.00080 0.00001 -0.00001 0.00001 209 4YY 0.00010 0.00018 -0.00002 0.00000 -0.00002 210 4ZZ -0.00063 0.00087 0.00004 -0.00003 0.00004 211 4XY -0.00005 -0.00109 0.00006 0.00004 0.00006 212 4XZ -0.00001 0.00010 0.00000 0.00001 0.00001 213 4YZ -0.00013 -0.00014 0.00004 0.00004 0.00004 214 23 H 1S -0.00101 0.00235 0.00015 0.00014 0.00014 215 2S -0.00124 0.00116 0.00012 0.00025 0.00023 111 112 113 114 115 111 4XY 0.00193 112 4XZ 0.00008 0.00005 113 4YZ 0.00017 0.00021 0.00199 114 12 O 1S 0.00000 -0.00001 0.00002 2.07865 115 2S -0.00002 0.00000 -0.00002 -0.18185 0.49997 116 2PX 0.00077 0.00026 0.00073 0.00099 -0.00667 117 2PY 0.00024 -0.00015 0.00005 -0.04166 0.08290 118 2PZ 0.00068 0.00030 0.00096 0.00069 -0.00299 119 3S -0.00014 0.00010 -0.00021 -0.24417 0.59678 120 3PX 0.00064 0.00020 0.00055 0.00051 -0.00415 121 3PY 0.00016 -0.00013 0.00007 -0.03570 0.06570 122 3PZ 0.00056 0.00025 0.00075 0.00039 -0.00146 123 4XX 0.00002 0.00000 0.00002 -0.01227 -0.01002 124 4YY -0.00001 0.00000 0.00001 -0.01025 -0.01155 125 4ZZ 0.00000 0.00000 -0.00001 -0.01270 -0.00908 126 4XY 0.00000 -0.00001 -0.00003 -0.00009 0.00033 127 4XZ 0.00001 0.00001 0.00000 -0.00140 0.00304 128 4YZ -0.00003 -0.00001 -0.00001 -0.00010 0.00024 129 13 C 1S -0.00028 -0.00004 -0.00004 0.00030 -0.00034 130 2S 0.00025 0.00005 0.00015 0.00048 -0.00096 131 2PX -0.00082 -0.00003 -0.00030 0.00051 -0.00012 132 2PY -0.00075 0.00009 -0.00018 -0.00111 0.00218 133 2PZ 0.00022 -0.00002 0.00006 0.00018 0.00063 134 3S 0.00314 0.00030 0.00110 -0.00570 0.00900 135 3PX -0.00072 0.00002 -0.00020 0.00181 -0.00164 136 3PY -0.00145 -0.00004 -0.00041 -0.00182 0.00352 137 3PZ 0.00110 0.00000 0.00072 -0.00087 0.00112 138 4XX -0.00014 -0.00001 -0.00006 0.00017 -0.00017 139 4YY 0.00004 0.00001 0.00003 0.00003 -0.00005 140 4ZZ 0.00002 0.00000 0.00003 0.00010 -0.00035 141 4XY -0.00005 0.00000 -0.00004 0.00008 -0.00023 142 4XZ -0.00005 -0.00001 -0.00003 0.00007 -0.00004 143 4YZ -0.00008 0.00000 -0.00005 -0.00009 0.00015 144 14 H 1S -0.00057 -0.00005 -0.00032 0.00056 -0.00015 145 2S -0.00114 -0.00017 -0.00075 0.00048 -0.00027 146 15 H 1S 0.00017 0.00004 0.00012 -0.00015 -0.00048 147 2S 0.00036 -0.00001 0.00055 -0.00007 -0.00142 148 16 C 1S 0.00038 -0.00001 0.00035 -0.00020 0.00052 149 2S -0.00121 0.00002 -0.00064 0.00018 -0.00068 150 2PX 0.00296 0.00006 0.00165 -0.00052 0.00063 151 2PY 0.00043 -0.00014 -0.00004 0.00086 -0.00234 152 2PZ 0.00110 0.00014 0.00058 -0.00026 0.00081 153 3S -0.00256 0.00001 -0.00190 0.00250 -0.00523 154 3PX -0.00025 -0.00010 0.00101 -0.00025 0.00092 155 3PY 0.00022 -0.00011 -0.00151 0.00173 -0.00275 156 3PZ 0.00233 0.00016 0.00044 -0.00059 0.00134 157 4XX 0.00006 0.00000 0.00006 -0.00001 -0.00001 158 4YY -0.00005 0.00000 -0.00002 -0.00012 0.00024 159 4ZZ -0.00006 -0.00002 -0.00003 0.00002 -0.00019 160 4XY 0.00012 -0.00001 0.00005 0.00011 -0.00023 161 4XZ -0.00001 -0.00003 0.00004 0.00001 -0.00020 162 4YZ 0.00002 0.00000 0.00000 -0.00002 -0.00003 163 17 H 1S -0.00046 0.00009 -0.00022 -0.00057 0.00144 164 2S 0.00204 0.00016 -0.00064 -0.00055 0.00186 165 18 C 1S 0.00001 -0.00008 0.00005 0.00012 0.00040 166 2S -0.00017 0.00010 -0.00037 -0.00008 -0.00092 167 2PX 0.00101 -0.00045 0.00070 -0.00048 -0.00322 168 2PY 0.00039 -0.00022 0.00047 -0.00057 -0.00014 169 2PZ 0.00046 -0.00009 0.00020 -0.00034 -0.00084 170 3S -0.00229 -0.00013 -0.00057 -0.00198 0.00486 171 3PX 0.00059 -0.00031 0.00075 -0.00046 -0.00163 172 3PY -0.00014 -0.00009 -0.00006 -0.00129 0.00274 173 3PZ 0.00062 -0.00015 -0.00090 -0.00008 -0.00139 174 4XX 0.00013 0.00000 0.00009 -0.00001 -0.00004 175 4YY -0.00001 0.00000 0.00000 -0.00012 0.00027 176 4ZZ -0.00013 0.00000 -0.00006 0.00003 -0.00008 177 4XY -0.00001 -0.00001 0.00000 -0.00001 -0.00015 178 4XZ -0.00006 0.00000 -0.00001 0.00000 0.00002 179 4YZ -0.00002 -0.00001 0.00002 0.00001 -0.00012 180 19 H 1S -0.00028 0.00015 -0.00045 0.00005 0.00027 181 2S 0.00022 0.00023 0.00074 -0.00004 0.00068 182 20 C 1S 0.00000 0.00000 -0.00014 -0.00016 0.00127 183 2S 0.00032 0.00004 0.00014 0.00052 -0.00129 184 2PX -0.00058 0.00014 -0.00045 -0.00200 0.00096 185 2PY -0.00023 -0.00005 -0.00017 0.00171 -0.00513 186 2PZ -0.00045 0.00010 -0.00035 -0.00035 0.00109 187 3S -0.00095 0.00015 0.00101 0.00430 -0.00189 188 3PX -0.00041 0.00003 -0.00100 0.00243 -0.00803 189 3PY 0.00111 -0.00005 -0.00007 0.00038 -0.00424 190 3PZ -0.00106 0.00006 -0.00070 -0.00168 0.00412 191 4XX -0.00002 -0.00001 -0.00003 0.00019 -0.00036 192 4YY 0.00004 0.00000 0.00000 0.00003 -0.00040 193 4ZZ 0.00000 -0.00001 -0.00002 -0.00008 -0.00012 194 4XY -0.00002 0.00000 -0.00001 -0.00008 0.00019 195 4XZ -0.00001 -0.00003 -0.00004 0.00001 -0.00017 196 4YZ 0.00000 0.00001 -0.00001 0.00003 -0.00002 197 21 H 1S -0.00003 0.00000 0.00000 0.00117 -0.00347 198 2S -0.00035 0.00003 -0.00016 -0.00357 0.00660 199 22 C 1S -0.00002 0.00002 -0.00007 0.00010 0.00086 200 2S 0.00008 -0.00001 0.00020 -0.00031 0.00068 201 2PX -0.00024 -0.00034 -0.00036 -0.00109 -0.00207 202 2PY -0.00023 0.00016 -0.00017 0.00103 -0.00033 203 2PZ 0.00002 -0.00017 -0.00012 -0.00020 -0.00267 204 3S 0.00146 -0.00002 0.00050 0.00322 -0.01008 205 3PX -0.00004 -0.00023 -0.00026 -0.00053 -0.00295 206 3PY -0.00050 0.00003 -0.00027 -0.00082 0.00349 207 3PZ -0.00062 -0.00007 0.00017 -0.00004 -0.00009 208 4XX -0.00002 0.00000 -0.00003 -0.00007 0.00005 209 4YY 0.00003 0.00000 0.00002 0.00007 -0.00042 210 4ZZ 0.00003 0.00000 0.00001 0.00002 0.00003 211 4XY -0.00005 0.00002 -0.00004 -0.00005 0.00024 212 4XZ -0.00002 -0.00001 -0.00001 0.00012 -0.00020 213 4YZ -0.00001 0.00000 -0.00002 -0.00007 0.00019 214 23 H 1S 0.00008 0.00004 0.00006 0.00049 -0.00113 215 2S 0.00026 0.00002 -0.00010 -0.00083 0.00148 116 117 118 119 120 116 2PX 0.71716 117 2PY 0.00072 0.60649 118 2PZ -0.13274 -0.00398 0.66842 119 3S 0.01314 0.25060 0.00358 0.76888 120 3PX 0.49292 0.00552 -0.10461 0.01109 0.34108 121 3PY -0.00192 0.32608 -0.00385 0.15428 0.00140 122 3PZ -0.10428 -0.00053 0.45350 0.00332 -0.08086 123 4XX 0.00037 0.00558 -0.00125 -0.01072 0.00026 124 4YY -0.00206 -0.04250 -0.00077 -0.02490 -0.00175 125 4ZZ -0.00189 0.00555 0.00134 -0.00957 -0.00129 126 4XY -0.03481 0.00068 0.00051 -0.00046 -0.02321 127 4XZ 0.00101 0.00011 0.00134 0.00379 0.00066 128 4YZ 0.00064 0.00068 -0.03453 -0.00016 0.00096 129 13 C 1S -0.00451 -0.00059 -0.00342 -0.00244 -0.00329 130 2S 0.00315 -0.00136 0.00839 -0.00068 0.00234 131 2PX -0.01435 -0.00071 -0.01244 -0.00688 -0.01231 132 2PY 0.01111 -0.00052 0.00291 0.00693 0.00743 133 2PZ 0.00377 0.00077 0.00124 -0.00642 0.00359 134 3S 0.05991 0.02283 0.02169 0.02039 0.04128 135 3PX -0.01333 -0.00853 -0.00084 -0.01051 -0.01027 136 3PY 0.02452 0.00238 0.00617 0.00829 0.01618 137 3PZ 0.01977 0.01062 0.00986 0.00293 0.01333 138 4XX -0.00243 0.00009 -0.00211 -0.00158 -0.00184 139 4YY 0.00054 -0.00006 0.00112 0.00020 0.00054 140 4ZZ 0.00011 -0.00001 0.00105 0.00040 0.00000 141 4XY 0.00135 0.00017 0.00246 0.00001 0.00099 142 4XZ -0.00071 -0.00051 -0.00114 -0.00041 -0.00058 143 4YZ 0.00151 0.00025 0.00202 0.00043 0.00109 144 14 H 1S -0.01088 -0.00031 -0.01162 -0.00773 -0.00890 145 2S -0.02092 0.00023 -0.02576 -0.00718 -0.01589 146 15 H 1S 0.00309 -0.00017 0.00394 0.00563 0.00147 147 2S 0.00553 0.00432 0.00985 0.00706 0.00283 148 16 C 1S -0.00148 -0.00034 -0.00587 0.00082 -0.00099 149 2S 0.00694 0.00320 0.00949 0.00013 0.00497 150 2PX -0.00970 -0.00652 -0.02528 0.00621 -0.00629 151 2PY 0.00390 0.00436 0.01384 -0.00454 0.00367 152 2PZ -0.00966 -0.00340 -0.02304 0.00077 -0.00823 153 3S -0.01638 -0.00549 0.03731 -0.00997 -0.00982 154 3PX -0.00930 -0.00754 -0.03635 0.00255 -0.00690 155 3PY -0.02271 -0.01080 0.01010 -0.00883 -0.01509 156 3PZ -0.01746 -0.00703 -0.02945 0.00047 -0.01234 157 4XX -0.00020 0.00055 -0.00039 -0.00050 -0.00015 158 4YY 0.00083 0.00001 -0.00026 0.00046 0.00063 159 4ZZ -0.00082 0.00049 -0.00089 0.00038 -0.00079 160 4XY 0.00008 0.00017 0.00068 -0.00030 0.00004 161 4XZ -0.00099 0.00034 -0.00168 0.00050 -0.00086 162 4YZ -0.00022 0.00022 0.00013 0.00016 -0.00019 163 17 H 1S 0.00130 -0.00287 -0.00314 0.00352 0.00090 164 2S -0.00430 -0.00938 -0.00815 0.00183 -0.00281 165 18 C 1S -0.00070 0.00045 -0.00181 -0.00346 -0.00027 166 2S 0.00180 0.00027 0.00425 0.00504 0.00123 167 2PX -0.02202 0.00192 -0.02808 0.02199 -0.01844 168 2PY 0.00525 -0.00217 0.00646 0.00895 0.00471 169 2PZ -0.00493 -0.00009 -0.00774 0.00975 -0.00355 170 3S 0.02563 -0.00502 0.01291 0.01123 0.01728 171 3PX -0.01320 0.00355 -0.01940 0.01545 -0.01155 172 3PY 0.01251 -0.00470 0.00853 0.00539 0.00980 173 3PZ -0.01641 0.00262 -0.00436 0.00608 -0.01190 174 4XX -0.00040 0.00026 -0.00075 0.00004 -0.00032 175 4YY 0.00070 -0.00008 0.00008 0.00045 0.00055 176 4ZZ 0.00063 0.00075 0.00099 -0.00046 0.00045 177 4XY 0.00055 0.00036 0.00152 0.00090 0.00036 178 4XZ -0.00046 0.00005 0.00009 -0.00007 -0.00035 179 4YZ -0.00039 0.00006 0.00018 0.00056 -0.00038 180 19 H 1S 0.00326 0.00051 0.00322 -0.00168 0.00265 181 2S 0.00831 0.00031 0.00129 -0.00257 0.00654 182 20 C 1S 0.00849 0.00111 0.00605 -0.00359 0.00451 183 2S -0.02013 0.00148 -0.01302 -0.00529 -0.01120 184 2PX 0.05887 -0.00041 0.06343 0.02500 0.04444 185 2PY -0.00964 -0.00209 0.00698 -0.00103 -0.00478 186 2PZ 0.03097 0.00011 0.02845 -0.00009 0.02319 187 3S -0.05201 -0.03844 -0.02507 -0.02103 -0.03309 188 3PX -0.00602 -0.00221 0.04707 0.00194 -0.00223 189 3PY -0.00996 0.01199 0.02865 0.00181 -0.00749 190 3PZ 0.04540 -0.00589 0.02263 0.00714 0.03188 191 4XX -0.00114 0.00042 0.00015 -0.00102 -0.00132 192 4YY 0.00013 -0.00018 0.00060 0.00023 0.00044 193 4ZZ -0.00013 0.00035 -0.00119 0.00031 -0.00008 194 4XY -0.00169 -0.00027 -0.00117 0.00010 -0.00105 195 4XZ -0.00122 0.00075 0.00000 0.00062 -0.00109 196 4YZ -0.00046 -0.00020 -0.00046 -0.00019 -0.00038 197 21 H 1S -0.00591 -0.00319 0.00334 0.00062 -0.00120 198 2S 0.05529 0.00839 -0.01254 0.01693 0.04154 199 22 C 1S 0.00125 -0.00033 0.00291 -0.00395 -0.00040 200 2S 0.00097 -0.00347 -0.00462 0.00056 0.00247 201 2PX 0.00673 0.00445 0.01895 0.02652 0.00376 202 2PY -0.00648 0.00126 -0.00904 -0.01431 -0.00414 203 2PZ -0.00538 0.00189 0.00535 0.01498 -0.00489 204 3S -0.03961 0.02127 -0.01784 -0.00776 -0.02733 205 3PX 0.00095 0.00624 0.01657 0.01742 -0.00040 206 3PY 0.00801 -0.00421 0.00244 -0.00110 0.00672 207 3PZ 0.00681 -0.01238 -0.01093 0.00677 0.00493 208 4XX 0.00234 -0.00031 0.00182 0.00038 0.00159 209 4YY 0.00001 -0.00053 0.00033 0.00010 0.00010 210 4ZZ -0.00243 0.00003 -0.00154 -0.00096 -0.00165 211 4XY 0.00100 -0.00001 0.00138 -0.00044 0.00091 212 4XZ -0.00180 -0.00012 -0.00122 -0.00060 -0.00147 213 4YZ 0.00041 0.00010 0.00005 -0.00004 0.00029 214 23 H 1S -0.00757 -0.00010 -0.00836 -0.00365 -0.00489 215 2S -0.00333 0.00691 0.01045 0.00166 -0.00325 121 122 123 124 125 121 3PY 0.17768 122 3PZ -0.00146 0.30996 123 4XX 0.00279 -0.00084 0.00049 124 4YY -0.02278 -0.00062 -0.00015 0.00330 125 4ZZ 0.00278 0.00096 0.00044 -0.00016 0.00044 126 4XY 0.00050 0.00085 -0.00002 0.00006 0.00010 127 4XZ 0.00012 0.00088 -0.00007 -0.00006 -0.00006 128 4YZ 0.00045 -0.02276 0.00007 0.00003 -0.00005 129 13 C 1S 0.00010 -0.00289 0.00020 0.00004 0.00003 130 2S -0.00070 0.00773 -0.00028 0.00012 0.00007 131 2PX 0.00127 -0.01208 0.00070 0.00021 0.00020 132 2PY -0.00222 0.00363 -0.00064 0.00017 -0.00007 133 2PZ 0.00218 -0.00039 0.00039 0.00018 0.00049 134 3S 0.01207 0.01673 -0.00046 -0.00175 -0.00004 135 3PX -0.00297 -0.00131 0.00046 0.00079 0.00026 136 3PY 0.00026 0.00503 -0.00045 -0.00020 -0.00012 137 3PZ 0.00611 0.00557 0.00009 -0.00063 0.00008 138 4XX 0.00041 -0.00178 0.00012 0.00004 0.00006 139 4YY -0.00011 0.00087 -0.00002 -0.00001 0.00000 140 4ZZ -0.00023 0.00086 -0.00006 -0.00001 -0.00003 141 4XY 0.00007 0.00196 -0.00003 -0.00001 0.00000 142 4XZ -0.00021 -0.00099 0.00003 0.00003 0.00000 143 4YZ 0.00003 0.00162 -0.00004 0.00000 0.00001 144 14 H 1S 0.00184 -0.01037 0.00063 0.00024 0.00030 145 2S 0.00185 -0.02126 0.00073 0.00018 0.00014 146 15 H 1S -0.00155 0.00416 -0.00045 -0.00016 -0.00033 147 2S 0.00040 0.00732 -0.00048 -0.00045 -0.00040 148 16 C 1S -0.00057 -0.00495 0.00005 0.00007 -0.00005 149 2S 0.00237 0.00807 -0.00005 -0.00035 0.00011 150 2PX -0.00549 -0.02152 -0.00009 -0.00015 -0.00056 151 2PY 0.00412 0.01188 0.00015 -0.00036 0.00017 152 2PZ -0.00158 -0.01818 0.00020 -0.00018 -0.00008 153 3S -0.00175 0.02931 0.00008 0.00024 0.00048 154 3PX -0.00500 -0.02891 0.00002 0.00012 -0.00035 155 3PY -0.00497 0.00840 0.00013 0.00071 0.00017 156 3PZ -0.00392 -0.02288 0.00018 0.00009 -0.00011 157 4XX 0.00047 -0.00035 0.00005 -0.00001 0.00003 158 4YY -0.00012 -0.00017 -0.00003 0.00001 0.00000 159 4ZZ 0.00016 -0.00069 -0.00001 -0.00004 -0.00004 160 4XY 0.00014 0.00054 -0.00001 0.00001 0.00000 161 4XZ -0.00003 -0.00143 -0.00002 -0.00002 -0.00006 162 4YZ 0.00007 0.00007 -0.00001 -0.00001 -0.00001 163 17 H 1S -0.00273 -0.00287 -0.00019 0.00015 -0.00008 164 2S -0.00633 -0.00634 -0.00014 0.00055 -0.00014 165 18 C 1S 0.00108 -0.00136 0.00024 0.00016 0.00030 166 2S -0.00114 0.00352 -0.00023 -0.00035 -0.00039 167 2PX -0.00593 -0.02487 -0.00112 -0.00090 -0.00193 168 2PY -0.00426 0.00495 -0.00066 -0.00018 -0.00070 169 2PZ -0.00358 -0.00792 -0.00051 -0.00005 -0.00086 170 3S -0.00366 0.00941 -0.00065 0.00008 -0.00068 171 3PX -0.00263 -0.01743 -0.00067 -0.00065 -0.00137 172 3PY -0.00331 0.00639 -0.00040 0.00014 -0.00027 173 3PZ -0.00079 -0.00514 -0.00016 -0.00039 -0.00050 174 4XX 0.00012 -0.00063 0.00001 -0.00002 0.00001 175 4YY -0.00012 0.00004 -0.00002 0.00000 -0.00002 176 4ZZ 0.00060 0.00086 0.00004 -0.00003 0.00004 177 4XY -0.00010 0.00110 -0.00007 -0.00003 -0.00006 178 4XZ 0.00003 0.00007 0.00000 0.00001 0.00000 179 4YZ -0.00012 0.00013 -0.00004 -0.00004 -0.00004 180 19 H 1S 0.00088 0.00235 0.00015 0.00015 0.00015 181 2S 0.00103 0.00114 0.00011 0.00026 0.00024 182 20 C 1S 0.00198 0.00474 0.00027 0.00038 0.00057 183 2S 0.00131 -0.00937 0.00064 0.00001 0.00025 184 2PX -0.00651 0.05131 -0.00232 -0.00067 -0.00070 185 2PY -0.00150 0.00482 0.00036 -0.00062 -0.00047 186 2PZ -0.00018 0.02209 -0.00040 0.00034 0.00045 187 3S -0.01894 -0.01648 0.00064 0.00286 -0.00001 188 3PX -0.00498 0.03738 -0.00123 0.00004 0.00001 189 3PY 0.00576 0.01920 0.00013 -0.00107 -0.00004 190 3PZ -0.00423 0.01799 -0.00067 0.00036 -0.00009 191 4XX 0.00040 -0.00022 0.00006 0.00002 0.00002 192 4YY -0.00024 0.00063 -0.00003 -0.00004 -0.00003 193 4ZZ 0.00007 -0.00089 -0.00004 -0.00002 -0.00001 194 4XY -0.00013 -0.00089 0.00004 -0.00001 -0.00001 195 4XZ 0.00023 -0.00029 -0.00001 -0.00007 -0.00005 196 4YZ -0.00007 -0.00030 0.00000 0.00001 0.00002 197 21 H 1S -0.00265 0.00315 0.00014 -0.00038 -0.00037 198 2S 0.00369 -0.00797 -0.00013 -0.00135 -0.00051 199 22 C 1S 0.00128 0.00111 0.00050 0.00049 0.00044 200 2S -0.00231 -0.00210 -0.00022 0.00014 -0.00007 201 2PX -0.00586 0.01255 -0.00185 -0.00073 -0.00165 202 2PY 0.00492 -0.00574 0.00081 0.00028 0.00103 203 2PZ -0.00283 0.00455 -0.00108 -0.00097 -0.00111 204 3S 0.01077 -0.01321 0.00044 -0.00130 0.00052 205 3PX -0.00219 0.01089 -0.00119 -0.00072 -0.00117 206 3PY -0.00068 0.00236 0.00005 0.00031 0.00019 207 3PZ -0.00907 -0.00638 -0.00078 0.00052 -0.00089 208 4XX -0.00026 0.00128 -0.00005 0.00002 -0.00001 209 4YY -0.00043 0.00035 -0.00003 -0.00001 -0.00005 210 4ZZ 0.00027 -0.00113 0.00007 0.00003 0.00005 211 4XY 0.00018 0.00127 0.00003 0.00002 0.00007 212 4XZ 0.00002 -0.00112 0.00005 0.00002 -0.00001 213 4YZ 0.00018 0.00027 -0.00001 -0.00002 0.00003 214 23 H 1S 0.00113 -0.00458 0.00007 -0.00019 0.00018 215 2S 0.00484 0.00740 0.00007 -0.00070 0.00025 126 127 128 129 130 126 4XY 0.00195 127 4XZ -0.00006 0.00003 128 4YZ 0.00017 -0.00008 0.00201 129 13 C 1S 0.00026 -0.00004 0.00005 2.05176 130 2S -0.00023 0.00004 -0.00016 -0.05547 0.31093 131 2PX 0.00073 -0.00002 0.00029 -0.00200 -0.00124 132 2PY -0.00072 -0.00010 -0.00017 0.00012 -0.00001 133 2PZ -0.00022 -0.00002 -0.00006 0.00171 0.00007 134 3S -0.00320 0.00022 -0.00109 -0.19039 0.29414 135 3PX 0.00058 0.00003 0.00015 0.00030 0.00747 136 3PY -0.00146 0.00001 -0.00040 0.00007 -0.00040 137 3PZ -0.00116 -0.00005 -0.00071 0.00120 -0.00762 138 4XX 0.00013 -0.00001 0.00006 -0.01753 -0.00095 139 4YY -0.00004 0.00001 -0.00003 -0.01412 -0.00800 140 4ZZ -0.00002 0.00000 -0.00004 -0.01813 0.00004 141 4XY -0.00007 0.00000 -0.00005 0.00016 -0.00033 142 4XZ 0.00004 0.00000 0.00003 0.00010 0.00011 143 4YZ -0.00009 0.00000 -0.00005 0.00001 -0.00004 144 14 H 1S 0.00058 -0.00003 0.00034 -0.05228 0.10108 145 2S 0.00118 -0.00012 0.00080 -0.00418 0.01552 146 15 H 1S -0.00016 0.00003 -0.00013 -0.05445 0.10440 147 2S -0.00038 -0.00005 -0.00056 -0.00702 0.01944 148 16 C 1S 0.00001 0.00001 0.00015 0.01185 -0.02274 149 2S -0.00036 0.00003 -0.00016 -0.02163 0.03890 150 2PX 0.00053 0.00017 0.00039 -0.03554 0.06977 151 2PY -0.00033 0.00003 -0.00019 -0.04501 0.09017 152 2PZ 0.00041 0.00013 0.00033 0.02692 -0.05864 153 3S 0.00084 0.00010 -0.00109 -0.00053 0.01916 154 3PX 0.00050 0.00009 0.00099 -0.00418 0.01468 155 3PY 0.00112 0.00005 -0.00015 -0.00976 0.02617 156 3PZ 0.00108 0.00010 0.00070 0.00110 -0.00985 157 4XX 0.00002 -0.00001 0.00003 -0.00083 0.00108 158 4YY -0.00003 0.00000 0.00000 -0.00237 0.00400 159 4ZZ 0.00000 -0.00001 0.00002 0.00135 -0.00365 160 4XY -0.00003 -0.00001 -0.00001 -0.00447 0.00833 161 4XZ 0.00002 -0.00002 0.00004 0.00236 -0.00476 162 4YZ 0.00000 -0.00001 -0.00001 0.00324 -0.00630 163 17 H 1S 0.00007 0.00001 0.00000 0.00981 -0.02081 164 2S 0.00042 0.00005 0.00017 0.00859 -0.01791 165 18 C 1S 0.00001 0.00003 0.00007 -0.00449 0.00945 166 2S -0.00010 -0.00002 -0.00020 0.00905 -0.02146 167 2PX 0.00029 -0.00034 0.00040 0.01136 -0.03682 168 2PY -0.00019 -0.00015 -0.00019 0.00581 -0.00898 169 2PZ 0.00004 -0.00017 0.00015 -0.00850 0.01802 170 3S -0.00139 -0.00006 -0.00049 0.01617 -0.03228 171 3PX 0.00005 -0.00023 0.00028 0.00996 -0.02796 172 3PY -0.00045 -0.00004 -0.00028 0.00079 0.00037 173 3PZ 0.00061 -0.00008 -0.00016 -0.00494 0.00666 174 4XX 0.00001 0.00000 0.00002 -0.00090 0.00170 175 4YY -0.00002 0.00001 -0.00001 0.00066 -0.00130 176 4ZZ -0.00004 0.00000 -0.00001 -0.00112 0.00226 177 4XY -0.00005 -0.00002 -0.00004 0.00014 -0.00047 178 4XZ 0.00002 -0.00001 0.00001 0.00113 -0.00257 179 4YZ -0.00001 -0.00001 -0.00002 0.00100 -0.00225 180 19 H 1S -0.00008 0.00004 -0.00006 -0.00710 0.01533 181 2S -0.00024 0.00003 0.00011 -0.00893 0.02033 182 20 C 1S -0.00036 -0.00003 -0.00034 0.01194 -0.02292 183 2S 0.00114 0.00006 0.00062 -0.02187 0.03938 184 2PX -0.00284 -0.00004 -0.00171 -0.03199 0.06259 185 2PY 0.00054 0.00013 0.00005 0.04756 -0.09517 186 2PZ -0.00106 0.00010 -0.00062 0.02734 -0.05961 187 3S 0.00266 0.00012 0.00183 -0.00031 0.01879 188 3PX 0.00029 -0.00016 -0.00117 -0.00348 0.01263 189 3PY 0.00012 0.00002 -0.00141 0.00980 -0.02689 190 3PZ -0.00229 0.00013 -0.00047 0.00107 -0.00977 191 4XX -0.00004 0.00000 -0.00006 -0.00026 0.00001 192 4YY 0.00004 0.00000 0.00001 -0.00291 0.00499 193 4ZZ 0.00006 -0.00002 0.00003 0.00131 -0.00358 194 4XY 0.00012 0.00001 0.00005 0.00425 -0.00789 195 4XZ 0.00001 -0.00003 -0.00004 0.00211 -0.00428 196 4YZ 0.00002 0.00000 0.00000 -0.00348 0.00678 197 21 H 1S 0.00043 0.00010 0.00020 0.00994 -0.02103 198 2S -0.00214 0.00019 0.00061 0.00872 -0.01806 199 22 C 1S 0.00000 -0.00009 -0.00004 -0.00451 0.00950 200 2S 0.00021 0.00012 0.00037 0.00910 -0.02155 201 2PX -0.00088 -0.00048 -0.00062 0.01090 -0.03607 202 2PY 0.00041 0.00029 0.00049 -0.00661 0.01162 203 2PZ -0.00046 -0.00011 -0.00019 -0.00859 0.01822 204 3S 0.00215 -0.00008 0.00053 0.01602 -0.03232 205 3PX -0.00054 -0.00035 -0.00069 0.00977 -0.02773 206 3PY -0.00010 0.00011 -0.00004 -0.00139 0.00167 207 3PZ -0.00054 -0.00010 0.00090 -0.00489 0.00665 208 4XX -0.00012 0.00000 -0.00009 -0.00090 0.00173 209 4YY 0.00001 -0.00001 0.00000 0.00067 -0.00135 210 4ZZ 0.00013 0.00001 0.00006 -0.00113 0.00228 211 4XY 0.00000 0.00001 0.00000 0.00000 0.00022 212 4XZ 0.00006 0.00000 0.00002 0.00104 -0.00238 213 4YZ -0.00002 0.00001 0.00001 -0.00108 0.00243 214 23 H 1S 0.00026 0.00018 0.00043 -0.00714 0.01542 215 2S -0.00026 0.00018 -0.00073 -0.00899 0.02042 131 132 133 134 135 131 2PX 0.39633 132 2PY -0.00101 0.37497 133 2PZ 0.00366 -0.00033 0.41072 134 3S -0.01363 0.00001 0.00722 0.33201 135 3PX 0.17700 0.00022 0.00858 -0.01331 0.08949 136 3PY 0.00019 0.17853 -0.00036 0.00013 0.00029 137 3PZ 0.01199 -0.00034 0.17818 0.00780 0.00102 138 4XX 0.01569 -0.00167 0.01197 -0.00168 0.00775 139 4YY -0.01105 0.00135 0.00814 -0.00686 -0.00456 140 4ZZ 0.00118 0.00011 -0.02308 0.00188 -0.00037 141 4XY -0.00180 -0.01417 -0.00025 -0.00020 -0.00079 142 4XZ 0.01456 -0.00018 0.00273 -0.00029 0.00624 143 4YZ -0.00017 0.01159 0.00010 -0.00001 -0.00005 144 14 H 1S 0.24398 -0.01028 0.09705 0.08758 0.11384 145 2S 0.20747 -0.00867 0.08276 0.00057 0.09270 146 15 H 1S 0.00711 0.00077 -0.26763 0.10036 -0.00073 147 2S 0.00659 0.00086 -0.23012 0.02236 -0.00649 148 16 C 1S 0.03851 0.04939 -0.02349 0.00759 0.00626 149 2S -0.07965 -0.10908 0.04592 0.00713 -0.02190 150 2PX -0.06412 -0.15660 0.07339 0.09244 -0.03838 151 2PY -0.12243 -0.16749 0.07743 0.10616 -0.05396 152 2PZ 0.08743 0.11747 -0.03313 -0.04117 0.03298 153 3S -0.08356 -0.06714 0.05533 -0.02853 -0.01267 154 3PX -0.02217 -0.07346 0.02387 0.02060 -0.01436 155 3PY -0.04252 -0.04232 0.02892 0.01824 -0.01106 156 3PZ 0.02934 0.05634 -0.00852 0.00204 0.00848 157 4XX 0.01011 -0.00362 0.00230 0.00166 0.00435 158 4YY -0.00680 0.00752 0.00459 0.00176 -0.00177 159 4ZZ 0.00332 0.00199 -0.01052 -0.00178 -0.00023 160 4XY -0.00231 -0.00676 0.00588 0.01043 -0.00173 161 4XZ 0.00127 0.00380 0.00291 -0.00432 -0.00100 162 4YZ 0.00588 0.00483 0.00151 -0.00837 0.00354 163 17 H 1S 0.01319 0.04557 -0.00737 -0.04706 0.01415 164 2S 0.01679 0.07620 -0.00719 -0.03498 0.01503 165 18 C 1S -0.00985 -0.00098 0.01265 0.02007 -0.00831 166 2S 0.02133 0.00898 -0.03129 -0.03912 0.01704 167 2PX -0.00303 -0.01160 -0.02889 -0.02174 -0.03601 168 2PY 0.01233 -0.01895 -0.00629 -0.07175 0.03230 169 2PZ -0.02966 -0.03461 0.02214 0.05127 -0.04015 170 3S 0.04730 -0.05890 -0.06453 -0.03931 0.02026 171 3PX 0.00027 -0.01510 -0.02870 -0.01326 -0.02673 172 3PY -0.00391 -0.04593 0.01148 -0.01802 0.00702 173 3PZ -0.01814 0.00526 0.01572 0.01279 -0.01879 174 4XX -0.00065 -0.00140 0.00283 0.00347 -0.00111 175 4YY 0.00181 0.00291 -0.00247 -0.00260 0.00134 176 4ZZ -0.00501 -0.00283 0.00308 0.00330 -0.00243 177 4XY -0.00113 0.00000 0.00022 0.00098 -0.00214 178 4XZ 0.00437 0.00433 -0.00419 -0.00418 0.00245 179 4YZ 0.00329 0.00482 -0.00269 -0.00295 0.00113 180 19 H 1S -0.01988 -0.01993 0.01514 0.04302 -0.02011 181 2S -0.03558 -0.04221 0.02977 0.04979 -0.02670 182 20 C 1S 0.03460 -0.05234 -0.02411 0.00757 0.00576 183 2S -0.07144 0.11516 0.04719 0.00725 -0.01987 184 2PX -0.04178 0.14740 0.06856 0.08483 -0.02642 185 2PY 0.11294 -0.18669 -0.08386 -0.11254 0.04989 186 2PZ 0.07952 -0.12465 -0.03467 -0.04108 0.02872 187 3S -0.07628 0.07348 0.05643 -0.02943 -0.01190 188 3PX -0.01346 0.07078 0.02164 0.01994 -0.00979 189 3PY 0.03961 -0.04957 -0.03047 -0.01939 0.00999 190 3PZ 0.02527 -0.05915 -0.00902 0.00296 0.00702 191 4XX 0.01048 0.00184 0.00153 0.00033 0.00465 192 4YY -0.00740 -0.00621 0.00536 0.00299 -0.00211 193 4ZZ 0.00307 -0.00212 -0.01065 -0.00166 -0.00035 194 4XY 0.00015 -0.00751 -0.00567 -0.01015 0.00082 195 4XZ 0.00052 -0.00351 0.00271 -0.00361 -0.00141 196 4YZ -0.00565 0.00562 -0.00157 0.00883 -0.00325 197 21 H 1S 0.01019 -0.04673 -0.00752 -0.04757 0.01226 198 2S 0.01166 -0.07780 -0.00745 -0.03497 0.01276 199 22 C 1S -0.00975 0.00173 0.01272 0.01997 -0.00810 200 2S 0.02068 -0.01070 -0.03152 -0.03909 0.01642 201 2PX -0.00298 0.00993 -0.02869 -0.01563 -0.03774 202 2PY -0.01337 -0.01903 0.00820 0.07308 -0.03008 203 2PZ -0.02707 0.03675 0.02245 0.05194 -0.03732 204 3S 0.05077 0.05612 -0.06423 -0.03952 0.02143 205 3PX 0.00124 0.01160 -0.02968 -0.01114 -0.02650 206 3PY 0.00049 -0.04703 -0.00989 0.01913 -0.00646 207 3PZ -0.01815 -0.00442 0.01549 0.01331 -0.01827 208 4XX -0.00035 0.00142 0.00277 0.00332 -0.00073 209 4YY 0.00145 -0.00304 -0.00243 -0.00244 0.00100 210 4ZZ -0.00484 0.00319 0.00313 0.00329 -0.00240 211 4XY 0.00131 -0.00044 -0.00068 -0.00143 0.00231 212 4XZ 0.00376 -0.00424 -0.00399 -0.00397 0.00218 213 4YZ -0.00318 0.00535 0.00300 0.00324 -0.00096 214 23 H 1S -0.01837 0.02132 0.01536 0.04310 -0.01862 215 2S -0.03238 0.04458 0.03021 0.04967 -0.02436 136 137 138 139 140 136 3PY 0.09119 137 3PZ 0.00006 0.08620 138 4XX -0.00073 0.00478 0.00159 139 4YY 0.00055 0.00313 -0.00025 0.00133 140 4ZZ 0.00008 -0.00915 -0.00070 -0.00054 0.00188 141 4XY -0.00570 -0.00010 -0.00002 0.00001 0.00001 142 4XZ -0.00007 0.00150 0.00075 -0.00025 -0.00037 143 4YZ 0.00504 0.00003 -0.00005 0.00004 0.00001 144 14 H 1S -0.00471 0.04439 0.01364 -0.00780 -0.00503 145 2S -0.00383 0.03943 0.01298 -0.00565 -0.00537 146 15 H 1S 0.00046 -0.11559 -0.00811 -0.00856 0.01660 147 2S 0.00074 -0.09149 -0.00799 -0.00626 0.01555 148 16 C 1S 0.00784 -0.00214 0.00032 -0.00327 0.00103 149 2S -0.02806 0.00982 -0.00135 0.00539 -0.00236 150 2PX -0.08878 0.04029 -0.00569 0.00469 -0.00262 151 2PY -0.07715 0.03063 0.00115 -0.00548 -0.00173 152 2PZ 0.06427 -0.00468 -0.00045 -0.00489 0.00861 153 3S -0.00308 0.00305 -0.00039 0.00742 -0.00517 154 3PX -0.04212 0.01348 -0.00295 0.00244 -0.00056 155 3PY -0.01843 0.00394 0.00131 -0.00157 -0.00173 156 3PZ 0.02700 0.00003 -0.00055 -0.00179 0.00301 157 4XX -0.00237 0.00115 0.00075 -0.00045 -0.00031 158 4YY 0.00320 0.00106 -0.00032 0.00062 -0.00041 159 4ZZ 0.00094 -0.00324 -0.00023 -0.00054 0.00088 160 4XY -0.00352 0.00322 -0.00003 -0.00011 -0.00019 161 4XZ 0.00168 0.00268 0.00018 0.00002 -0.00018 162 4YZ 0.00282 0.00085 0.00008 0.00013 0.00010 163 17 H 1S 0.02633 -0.00807 -0.00200 0.00687 -0.00174 164 2S 0.03317 -0.00746 -0.00154 0.00455 -0.00133 165 18 C 1S -0.00196 0.00807 0.00036 0.00075 -0.00186 166 2S 0.00863 -0.01578 -0.00096 -0.00164 0.00418 167 2PX -0.00043 0.02150 -0.00519 -0.00215 0.00804 168 2PY -0.01068 -0.00941 -0.00072 0.00103 -0.00069 169 2PZ -0.03848 0.02271 -0.00177 0.00365 -0.00534 170 3S -0.02701 -0.02397 -0.00072 -0.00302 0.00579 171 3PX -0.00732 0.01173 -0.00300 -0.00172 0.00505 172 3PY -0.02254 0.00226 0.00002 0.00103 -0.00144 173 3PZ -0.00256 0.01223 -0.00068 0.00170 -0.00229 174 4XX -0.00098 0.00175 -0.00002 0.00012 -0.00021 175 4YY 0.00064 -0.00125 -0.00012 0.00009 0.00009 176 4ZZ -0.00054 0.00091 0.00013 0.00002 -0.00022 177 4XY -0.00035 0.00143 -0.00012 -0.00012 0.00017 178 4XZ 0.00218 -0.00214 0.00024 -0.00015 0.00005 179 4YZ 0.00414 -0.00058 -0.00007 0.00010 0.00015 180 19 H 1S -0.02002 0.00674 0.00017 0.00083 -0.00226 181 2S -0.03181 0.01428 -0.00006 0.00104 -0.00271 182 20 C 1S -0.00836 -0.00206 0.00088 -0.00379 0.00102 183 2S 0.02972 0.01001 -0.00250 0.00647 -0.00233 184 2PX 0.08503 0.03911 -0.00567 0.00488 -0.00235 185 2PY -0.08702 -0.03430 0.00048 0.00404 0.00179 186 2PZ -0.06686 -0.00540 0.00050 -0.00587 0.00868 187 3S 0.00429 0.00335 -0.00130 0.00836 -0.00520 188 3PX 0.04132 0.01340 -0.00299 0.00236 -0.00029 189 3PY -0.02173 -0.00505 -0.00075 0.00108 0.00171 190 3PZ -0.02782 -0.00022 0.00003 -0.00242 0.00307 191 4XX 0.00155 0.00074 0.00072 -0.00042 -0.00028 192 4YY -0.00268 0.00148 -0.00025 0.00055 -0.00044 193 4ZZ -0.00084 -0.00331 -0.00022 -0.00056 0.00089 194 4XY -0.00394 -0.00321 -0.00003 0.00015 0.00018 195 4XZ -0.00135 0.00258 0.00019 0.00000 -0.00018 196 4YZ 0.00324 -0.00097 -0.00011 -0.00011 -0.00009 197 21 H 1S -0.02768 -0.00833 -0.00165 0.00661 -0.00183 198 2S -0.03467 -0.00748 -0.00089 0.00396 -0.00137 199 22 C 1S 0.00264 0.00810 0.00040 0.00072 -0.00187 200 2S -0.01005 -0.01608 -0.00099 -0.00162 0.00420 201 2PX 0.00213 0.02194 -0.00501 -0.00244 0.00819 202 2PY -0.00830 0.00752 0.00122 -0.00097 0.00010 203 2PZ 0.04145 0.02337 -0.00164 0.00348 -0.00530 204 3S 0.02590 -0.02385 -0.00123 -0.00251 0.00576 205 3PX 0.00761 0.01143 -0.00293 -0.00194 0.00521 206 3PY -0.02245 -0.00349 0.00052 -0.00123 0.00108 207 3PZ 0.00371 0.01234 -0.00051 0.00148 -0.00222 208 4XX 0.00100 0.00157 0.00000 0.00012 -0.00022 209 4YY -0.00070 -0.00104 -0.00010 0.00005 0.00010 210 4ZZ 0.00073 0.00090 0.00009 0.00007 -0.00022 211 4XY -0.00064 -0.00168 0.00013 0.00009 -0.00013 212 4XZ -0.00202 -0.00211 0.00025 -0.00016 0.00003 213 4YZ 0.00437 0.00077 0.00005 -0.00008 -0.00015 214 23 H 1S 0.02156 0.00697 0.00015 0.00085 -0.00226 215 2S 0.03369 0.01467 -0.00021 0.00119 -0.00272 141 142 143 144 145 141 4XY 0.00095 142 4XZ -0.00006 0.00079 143 4YZ -0.00030 0.00000 0.00076 144 14 H 1S -0.00101 0.01002 -0.00042 0.20968 145 2S -0.00091 0.00915 -0.00040 0.15942 0.14408 146 15 H 1S -0.00001 -0.00213 -0.00004 -0.02467 -0.04736 147 2S 0.00010 -0.00261 -0.00001 -0.04691 -0.04755 148 16 C 1S -0.00441 0.00241 0.00306 0.00958 0.01339 149 2S 0.00891 -0.00457 -0.00627 -0.02425 -0.02954 150 2PX -0.00055 -0.00158 -0.00791 -0.00832 -0.03571 151 2PY 0.00827 -0.00585 -0.00584 -0.01703 -0.03066 152 2PZ -0.00752 -0.00248 -0.00444 0.01461 0.01357 153 3S 0.00863 -0.00371 -0.00529 -0.03010 -0.03066 154 3PX -0.00160 -0.00062 -0.00498 -0.00820 -0.01667 155 3PY 0.00234 -0.00179 -0.00196 -0.00543 -0.00835 156 3PZ -0.00541 -0.00091 -0.00317 0.00770 0.00432 157 4XX 0.00013 0.00058 0.00015 0.00792 0.00721 158 4YY -0.00039 -0.00015 0.00035 -0.00229 -0.00337 159 4ZZ -0.00016 -0.00006 -0.00010 -0.00172 -0.00033 160 4XY 0.00020 -0.00005 -0.00021 0.00256 -0.00001 161 4XZ -0.00017 0.00020 0.00020 0.00023 0.00277 162 4YZ -0.00018 0.00003 -0.00002 0.00122 0.00173 163 17 H 1S -0.00146 0.00135 0.00135 -0.00629 -0.00437 164 2S -0.00439 0.00139 0.00222 -0.00253 -0.00258 165 18 C 1S -0.00033 0.00065 0.00119 0.00111 0.00074 166 2S 0.00019 -0.00156 -0.00254 -0.00392 -0.00310 167 2PX -0.00179 -0.00262 -0.00479 -0.02751 -0.00358 168 2PY 0.00092 0.00130 0.00074 0.00280 -0.00032 169 2PZ -0.00148 0.00484 0.00384 -0.00399 0.00552 170 3S 0.00411 0.00004 -0.00132 0.00224 0.00613 171 3PX -0.00128 -0.00089 -0.00237 -0.01777 0.00279 172 3PY 0.00283 0.00059 0.00018 0.00106 -0.00120 173 3PZ -0.00180 0.00150 -0.00004 -0.00350 0.00412 174 4XX -0.00008 0.00009 -0.00005 0.00068 0.00017 175 4YY -0.00026 0.00011 0.00030 -0.00014 -0.00016 176 4ZZ 0.00035 -0.00021 -0.00010 -0.00110 -0.00088 177 4XY 0.00016 -0.00004 0.00032 -0.00087 0.00005 178 4XZ -0.00005 0.00025 0.00030 0.00130 0.00229 179 4YZ 0.00003 0.00012 -0.00023 0.00033 0.00097 180 19 H 1S 0.00010 0.00095 0.00169 -0.00126 -0.00129 181 2S 0.00113 0.00018 0.00211 -0.00612 -0.00790 182 20 C 1S 0.00402 0.00220 -0.00330 0.00946 0.01315 183 2S -0.00815 -0.00414 0.00674 -0.02429 -0.02939 184 2PX 0.00214 -0.00050 0.00761 -0.00694 -0.03435 185 2PY 0.00856 0.00554 -0.00690 0.01812 0.03362 186 2PZ 0.00709 -0.00203 0.00446 0.01482 0.01309 187 3S -0.00773 -0.00322 0.00577 -0.02859 -0.02847 188 3PX 0.00234 -0.00015 0.00489 -0.00872 -0.01804 189 3PY 0.00240 0.00165 -0.00243 0.00600 0.00961 190 3PZ 0.00530 -0.00063 0.00316 0.00741 0.00282 191 4XX -0.00020 0.00056 -0.00022 0.00752 0.00717 192 4YY 0.00043 -0.00017 -0.00032 -0.00183 -0.00323 193 4ZZ 0.00014 -0.00005 0.00009 -0.00180 -0.00044 194 4XY 0.00025 -0.00003 -0.00022 -0.00341 -0.00092 195 4XZ 0.00015 0.00017 -0.00021 0.00007 0.00254 196 4YZ -0.00019 -0.00005 0.00000 -0.00123 -0.00196 197 21 H 1S 0.00214 0.00131 -0.00151 -0.00567 -0.00356 198 2S 0.00479 0.00128 -0.00239 -0.00196 -0.00232 199 22 C 1S 0.00036 0.00056 -0.00121 0.00113 0.00075 200 2S -0.00022 -0.00136 0.00259 -0.00394 -0.00321 201 2PX 0.00222 -0.00236 0.00497 -0.02824 -0.00515 202 2PY 0.00059 -0.00107 0.00048 -0.00065 0.00057 203 2PZ 0.00199 0.00450 -0.00408 -0.00438 0.00483 204 3S -0.00428 0.00012 0.00122 0.00192 0.00681 205 3PX 0.00164 -0.00077 0.00237 -0.01842 0.00151 206 3PY 0.00259 -0.00052 0.00002 0.00022 0.00047 207 3PZ 0.00204 0.00148 -0.00003 -0.00368 0.00331 208 4XX 0.00011 0.00010 0.00009 0.00078 0.00012 209 4YY 0.00025 0.00008 -0.00035 -0.00022 -0.00014 210 4ZZ -0.00036 -0.00020 0.00011 -0.00109 -0.00084 211 4XY 0.00017 0.00006 0.00029 0.00076 -0.00018 212 4XZ 0.00001 0.00022 -0.00034 0.00129 0.00225 213 4YZ 0.00001 -0.00015 -0.00019 -0.00046 -0.00119 214 23 H 1S -0.00005 0.00080 -0.00173 -0.00132 -0.00134 215 2S -0.00103 0.00000 -0.00208 -0.00618 -0.00777 146 147 148 149 150 146 15 H 1S 0.21392 147 2S 0.16443 0.14869 148 16 C 1S 0.00773 0.01072 2.05558 149 2S -0.01697 -0.02026 -0.06154 0.32833 150 2PX -0.02142 -0.02490 -0.00420 0.01431 0.32200 151 2PY -0.01499 -0.02846 0.00568 -0.00257 0.00601 152 2PZ 0.02374 0.05342 -0.00235 0.00719 -0.03809 153 3S -0.03708 -0.04414 -0.21226 0.31778 -0.03765 154 3PX -0.00907 -0.00647 0.00663 -0.00060 0.17102 155 3PY -0.01159 -0.02025 -0.01495 0.00182 -0.01631 156 3PZ 0.01064 0.01833 0.00237 -0.00876 0.03143 157 4XX -0.00153 -0.00245 -0.01180 -0.01175 -0.00489 158 4YY -0.00228 -0.00333 -0.01872 0.00298 0.00719 159 4ZZ 0.00659 0.00772 -0.01330 -0.00797 -0.00410 160 4XY -0.00066 -0.00187 0.00042 -0.00050 0.00833 161 4XZ -0.00345 -0.00101 0.00216 -0.00477 -0.00142 162 4YZ -0.00254 -0.00001 -0.00172 0.00361 -0.00222 163 17 H 1S -0.00821 -0.00634 -0.06359 0.12065 0.03979 164 2S -0.00615 -0.00618 -0.01601 0.02957 0.04067 165 18 C 1S -0.00799 -0.01111 0.01484 -0.02699 0.02079 166 2S 0.01908 0.02647 -0.02948 0.04996 -0.04035 167 2PX 0.02634 0.07124 -0.01239 0.02983 0.09963 168 2PY -0.00579 -0.00415 0.02596 -0.05907 0.03267 169 2PZ -0.02048 -0.02778 0.06795 -0.13641 0.12850 170 3S 0.03720 0.04600 0.01500 0.00899 -0.05640 171 3PX 0.02035 0.04859 0.00762 -0.00546 0.06656 172 3PY -0.01100 -0.01141 0.00687 -0.01075 0.01149 173 3PZ -0.01224 -0.01222 0.00326 -0.02743 0.05764 174 4XX -0.00134 -0.00145 0.00106 -0.00230 0.00622 175 4YY 0.00096 0.00091 0.00224 -0.00528 0.00268 176 4ZZ -0.00132 -0.00194 -0.00475 0.00878 -0.00496 177 4XY 0.00026 0.00157 0.00150 -0.00269 -0.00213 178 4XZ 0.00137 0.00110 0.00247 -0.00468 -0.00813 179 4YZ 0.00109 0.00196 -0.00381 0.00714 -0.00368 180 19 H 1S -0.00843 -0.01800 0.01274 -0.02708 0.01562 181 2S -0.01530 -0.02267 0.01741 -0.03029 0.03210 182 20 C 1S 0.00784 0.01095 -0.00497 0.00915 -0.00634 183 2S -0.01714 -0.02061 0.00911 -0.02596 0.01068 184 2PX -0.02017 -0.02229 -0.00775 0.01425 -0.08443 185 2PY 0.01623 0.02972 -0.01271 0.03580 0.00550 186 2PZ 0.02384 0.05336 0.00270 -0.00175 -0.03466 187 3S -0.03770 -0.04468 0.02167 -0.03189 0.03852 188 3PX -0.00767 -0.00437 -0.00692 0.00821 -0.06789 189 3PY 0.01198 0.02031 -0.01060 0.01502 0.00916 190 3PZ 0.01076 0.01820 -0.00035 0.00501 -0.04000 191 4XX -0.00140 -0.00215 0.00066 -0.00235 -0.00159 192 4YY -0.00244 -0.00363 -0.00292 0.00633 0.00367 193 4ZZ 0.00668 0.00776 0.00079 -0.00222 -0.00211 194 4XY 0.00063 0.00179 -0.00009 0.00088 -0.00139 195 4XZ -0.00320 -0.00096 -0.00023 0.00059 0.00112 196 4YZ 0.00277 0.00005 -0.00034 0.00060 -0.00062 197 21 H 1S -0.00860 -0.00682 -0.00891 0.02109 0.00840 198 2S -0.00643 -0.00637 -0.01089 0.02915 -0.00169 199 22 C 1S -0.00799 -0.01107 -0.00461 0.01183 0.00024 200 2S 0.01911 0.02631 0.01071 -0.02621 -0.00098 201 2PX 0.02710 0.07164 0.00683 -0.01149 -0.01461 202 2PY 0.00385 -0.00123 -0.01045 0.03157 -0.01700 203 2PZ -0.02019 -0.02710 -0.00827 0.02024 0.00705 204 3S 0.03716 0.04593 0.00553 -0.03245 0.00743 205 3PX 0.02146 0.04953 0.00157 -0.00442 -0.02287 206 3PY 0.00959 0.00777 -0.00278 0.01456 -0.01681 207 3PZ -0.01193 -0.01178 0.00260 0.00375 -0.00278 208 4XX -0.00134 -0.00162 -0.00014 0.00051 -0.00101 209 4YY 0.00097 0.00111 -0.00136 0.00296 -0.00081 210 4ZZ -0.00134 -0.00199 0.00023 -0.00006 0.00128 211 4XY -0.00004 -0.00134 0.00034 -0.00085 -0.00540 212 4XZ 0.00126 0.00093 0.00023 -0.00058 0.00062 213 4YZ -0.00115 -0.00196 -0.00234 0.00501 -0.00471 214 23 H 1S -0.00838 -0.01784 -0.00897 0.02060 -0.00560 215 2S -0.01528 -0.02244 -0.01332 0.02813 -0.00572 151 152 153 154 155 151 2PY 0.42719 152 2PZ 0.01489 0.39017 153 3S -0.01659 -0.00364 0.36226 154 3PX -0.01131 0.01544 -0.02748 0.10222 155 3PY 0.14027 0.00651 0.01403 -0.01212 0.05806 156 3PZ -0.00930 0.18015 -0.01573 0.03455 -0.00154 157 4XX 0.00637 -0.00745 -0.00978 -0.00324 0.00198 158 4YY -0.01546 -0.00974 0.00513 0.00308 -0.00425 159 4ZZ 0.00572 0.01337 -0.00917 -0.00064 0.00106 160 4XY 0.01053 -0.00261 -0.00278 0.00330 0.00223 161 4XZ -0.00299 -0.00248 -0.00556 -0.00068 -0.00184 162 4YZ -0.00822 0.00875 0.00446 -0.00006 -0.00192 163 17 H 1S -0.25865 -0.05867 0.12900 0.02206 -0.08174 164 2S -0.21202 -0.03234 0.03713 0.02339 -0.06107 165 18 C 1S -0.02057 -0.06648 -0.00686 0.00307 -0.00843 166 2S 0.03691 0.14329 0.03214 -0.00478 0.02198 167 2PX 0.00668 0.15415 -0.02579 0.06588 -0.02508 168 2PY -0.01761 -0.13042 -0.02431 0.01507 0.01864 169 2PZ -0.08420 -0.22811 -0.17589 0.05549 -0.05100 170 3S 0.07481 0.06462 -0.02255 -0.01946 0.02002 171 3PX -0.00416 0.06702 -0.04821 0.04210 -0.02304 172 3PY 0.02360 -0.08640 0.00088 -0.00028 0.01268 173 3PZ -0.03755 -0.04309 -0.03862 0.03022 -0.01672 174 4XX -0.00115 -0.00327 -0.00264 0.00288 -0.00125 175 4YY -0.01010 -0.00668 -0.00502 0.00136 -0.00306 176 4ZZ 0.00773 0.00115 0.00876 -0.00341 0.00224 177 4XY 0.00229 -0.00423 -0.00550 -0.00214 -0.00088 178 4XZ -0.00415 -0.00479 -0.00199 -0.00438 -0.00056 179 4YZ -0.00566 0.00771 0.01010 -0.00131 -0.00148 180 19 H 1S 0.00207 -0.04638 -0.05893 0.00444 -0.01086 181 2S 0.01594 -0.08763 -0.06118 0.00670 -0.01004 182 20 C 1S 0.01319 0.00306 0.02162 -0.00559 0.01095 183 2S -0.03650 -0.00269 -0.03128 0.00566 -0.01522 184 2PX 0.00252 -0.03464 0.04559 -0.06753 -0.00501 185 2PY 0.03875 -0.00268 0.05273 0.01532 0.00768 186 2PZ 0.00498 -0.05477 -0.05342 -0.03576 -0.02371 187 3S -0.05583 -0.05543 -0.02939 0.02372 -0.01359 188 3PX -0.00941 -0.03406 0.02744 -0.04921 -0.00515 189 3PY 0.00832 0.02601 0.01190 0.00775 -0.00508 190 3PZ 0.02745 -0.06086 -0.01366 -0.03552 -0.00310 191 4XX -0.00502 0.00312 -0.00152 0.00001 -0.00082 192 4YY 0.01234 -0.00320 0.00816 0.00144 0.00479 193 4ZZ -0.00431 0.00066 -0.00506 -0.00118 -0.00299 194 4XY 0.00138 -0.00065 0.00161 0.00021 0.00117 195 4XZ 0.00189 -0.00054 -0.00086 0.00068 -0.00027 196 4YZ 0.00049 0.00024 0.00140 -0.00068 0.00032 197 21 H 1S 0.02884 -0.01115 0.04101 0.00984 0.01025 198 2S 0.05914 -0.02792 0.04817 0.00028 0.02198 199 22 C 1S 0.01392 0.00828 0.00925 0.00032 0.00172 200 2S -0.03034 -0.02941 -0.03090 -0.00274 -0.00967 201 2PX -0.00763 -0.00839 -0.07422 -0.02064 -0.04023 202 2PY 0.02070 0.03824 0.01744 -0.01777 -0.01935 203 2PZ 0.02055 0.00249 0.05798 0.00278 0.00526 204 3S -0.11318 0.04866 -0.03277 0.01256 -0.03613 205 3PX -0.00161 0.00478 -0.03933 -0.01953 -0.02420 206 3PY 0.03913 -0.01003 0.00618 -0.01509 0.00250 207 3PZ 0.01791 -0.04872 0.01038 -0.00745 0.00141 208 4XX 0.00022 -0.00214 0.00084 -0.00113 -0.00041 209 4YY 0.00410 0.00459 0.00395 0.00026 0.00213 210 4ZZ 0.00006 0.00109 -0.00070 0.00046 -0.00039 211 4XY -0.00079 -0.00673 0.00102 -0.00344 0.00080 212 4XZ -0.00066 0.00086 -0.00032 0.00143 0.00068 213 4YZ 0.00543 0.00809 0.00850 -0.00246 0.00310 214 23 H 1S 0.01565 0.03082 0.04378 -0.00419 0.00336 215 2S 0.02648 0.06588 0.04970 -0.00178 0.00857 156 157 158 159 160 156 3PZ 0.10099 157 4XX -0.00405 0.00129 158 4YY -0.00246 -0.00047 0.00175 159 4ZZ 0.00501 0.00020 -0.00087 0.00142 160 4XY -0.00049 0.00020 -0.00019 -0.00001 0.00067 161 4XZ -0.00083 0.00019 -0.00001 0.00012 -0.00006 162 4YZ 0.00320 -0.00042 0.00024 0.00001 -0.00040 163 17 H 1S -0.01561 -0.00811 0.01410 -0.00901 -0.00560 164 2S 0.00275 -0.00569 0.01222 -0.00636 -0.00477 165 18 C 1S -0.01278 0.00198 0.00261 -0.00547 0.00103 166 2S 0.03966 -0.00455 -0.00552 0.00992 -0.00212 167 2PX 0.08605 -0.00700 -0.00350 0.00868 0.00203 168 2PY -0.06132 0.00145 0.00895 -0.00653 -0.00244 169 2PZ -0.08512 0.00595 0.00551 -0.00086 0.00404 170 3S -0.01129 0.00083 -0.00989 0.01078 -0.00039 171 3PX 0.04148 -0.00294 -0.00255 0.00603 0.00152 172 3PY -0.04523 0.00225 0.00196 -0.00349 0.00036 173 3PZ -0.00575 -0.00003 0.00254 0.00043 0.00101 174 4XX 0.00036 0.00012 0.00018 -0.00030 0.00024 175 4YY -0.00248 -0.00002 0.00070 -0.00028 -0.00023 176 4ZZ -0.00053 -0.00004 -0.00041 -0.00001 0.00015 177 4XY -0.00340 0.00019 -0.00022 0.00033 0.00015 178 4XZ -0.00271 0.00037 0.00006 -0.00018 -0.00033 179 4YZ 0.00392 -0.00037 0.00000 -0.00006 -0.00027 180 19 H 1S -0.02730 0.00223 -0.00226 0.00374 0.00217 181 2S -0.04203 0.00317 -0.00073 0.00043 0.00316 182 20 C 1S 0.00001 0.00066 -0.00293 0.00082 -0.00021 183 2S 0.00397 -0.00241 0.00642 -0.00230 -0.00016 184 2PX -0.04233 -0.00081 0.00231 -0.00170 0.00181 185 2PY -0.02376 0.00522 -0.01262 0.00450 -0.00023 186 2PZ -0.06090 0.00330 -0.00343 0.00073 0.00012 187 3S -0.01601 -0.00152 0.00827 -0.00514 -0.00088 188 3PX -0.03581 0.00014 0.00094 -0.00094 -0.00003 189 3PY 0.00585 0.00093 -0.00496 0.00308 0.00069 190 3PZ -0.05230 0.00281 -0.00239 -0.00013 0.00078 191 4XX 0.00261 0.00028 -0.00007 0.00001 -0.00014 192 4YY -0.00215 -0.00003 -0.00018 -0.00020 0.00037 193 4ZZ -0.00013 -0.00001 -0.00018 0.00041 -0.00015 194 4XY -0.00113 0.00007 -0.00034 0.00013 -0.00027 195 4XZ -0.00016 0.00010 -0.00031 0.00023 0.00008 196 4YZ 0.00183 -0.00010 0.00011 -0.00004 0.00011 197 21 H 1S -0.01657 0.00151 -0.00393 0.00073 0.00040 198 2S -0.02818 0.00218 -0.00445 0.00007 0.00062 199 22 C 1S 0.00546 0.00039 -0.00134 0.00017 0.00091 200 2S -0.01967 -0.00041 0.00331 -0.00033 -0.00207 201 2PX -0.02594 -0.00108 -0.00266 0.00657 0.00148 202 2PY 0.02957 0.00166 -0.00604 0.00033 0.00303 203 2PZ 0.01640 0.00030 -0.00355 0.00222 0.00226 204 3S 0.03424 -0.00302 0.00455 0.00118 -0.00380 205 3PX -0.01105 -0.00043 -0.00310 0.00529 0.00069 206 3PY -0.00975 0.00197 -0.00390 0.00054 0.00140 207 3PZ -0.02287 0.00134 -0.00094 0.00003 0.00119 208 4XX -0.00124 0.00012 -0.00005 -0.00012 0.00014 209 4YY 0.00103 -0.00009 -0.00042 0.00037 -0.00003 210 4ZZ 0.00213 -0.00007 0.00015 -0.00017 0.00010 211 4XY -0.00471 0.00027 0.00012 -0.00031 -0.00016 212 4XZ 0.00086 0.00012 -0.00018 0.00011 -0.00015 213 4YZ 0.00418 -0.00026 -0.00010 -0.00008 -0.00002 214 23 H 1S 0.02849 -0.00021 -0.00202 0.00003 0.00107 215 2S 0.04477 -0.00150 -0.00218 0.00066 0.00134 161 162 163 164 165 161 4XZ 0.00078 162 4YZ 0.00000 0.00085 163 17 H 1S -0.00013 0.00562 0.21481 164 2S 0.00018 0.00478 0.15405 0.13510 165 18 C 1S 0.00255 -0.00331 0.01136 0.01042 2.05365 166 2S -0.00486 0.00656 -0.02266 -0.01786 -0.06313 167 2PX 0.00916 0.00442 -0.00927 -0.01657 -0.00005 168 2PY 0.00195 0.00751 0.03156 0.05707 -0.00105 169 2PZ 0.00567 -0.00827 0.03143 0.03808 -0.00418 170 3S -0.00361 0.00261 -0.06278 -0.06139 -0.17152 171 3PX 0.00711 0.00123 -0.00894 -0.01210 0.00191 172 3PY 0.00027 0.00079 -0.00095 0.00127 0.00311 173 3PZ 0.00295 -0.00149 0.02195 0.02302 -0.00210 174 4XX 0.00020 -0.00029 0.00060 0.00066 -0.01192 175 4YY 0.00009 0.00022 0.00585 0.00639 -0.01753 176 4ZZ -0.00017 -0.00037 -0.00269 -0.00495 -0.01768 177 4XY 0.00039 -0.00019 -0.00266 -0.00283 -0.00145 178 4XZ 0.00024 0.00006 0.00069 0.00119 0.00310 179 4YZ 0.00023 0.00046 0.00471 0.00219 0.00260 180 19 H 1S -0.00203 -0.00546 -0.01409 -0.01552 -0.06370 181 2S -0.00088 -0.00655 -0.01574 -0.01799 -0.01460 182 20 C 1S -0.00019 0.00035 -0.00898 -0.01097 -0.00464 183 2S 0.00049 -0.00063 0.02125 0.02932 0.01189 184 2PX 0.00114 0.00061 0.00556 -0.00780 -0.00077 185 2PY -0.00186 0.00052 -0.02948 -0.05914 -0.01389 186 2PZ -0.00050 -0.00021 -0.01173 -0.02884 0.00820 187 3S -0.00091 -0.00132 0.04100 0.04808 0.00930 188 3PX 0.00071 0.00065 0.00828 -0.00278 0.00006 189 3PY 0.00027 0.00020 -0.01098 -0.02220 -0.00161 190 3PZ -0.00034 -0.00180 -0.01740 -0.02911 0.00536 191 4XX 0.00010 0.00010 0.00140 0.00205 0.00027 192 4YY -0.00030 -0.00009 -0.00384 -0.00433 -0.00125 193 4ZZ 0.00023 0.00002 0.00069 0.00002 0.00017 194 4XY -0.00010 0.00010 -0.00085 -0.00110 -0.00104 195 4XZ 0.00053 -0.00004 -0.00141 -0.00213 0.00010 196 4YZ -0.00004 -0.00045 -0.00022 -0.00008 0.00205 197 21 H 1S -0.00133 0.00032 -0.01199 -0.02451 -0.00867 198 2S -0.00205 0.00028 -0.02450 -0.03517 -0.01215 199 22 C 1S -0.00005 -0.00204 -0.00863 -0.01204 0.01819 200 2S -0.00005 0.00400 0.01889 0.02449 -0.03635 201 2PX 0.01003 0.00047 -0.01150 -0.02871 0.00272 202 2PY -0.00015 -0.00925 -0.02855 -0.05430 0.08101 203 2PZ 0.00443 -0.00183 -0.01033 -0.02451 -0.00371 204 3S 0.00167 0.00577 0.05621 0.06127 0.00004 205 3PX 0.00720 0.00018 -0.01263 -0.02519 -0.00064 206 3PY -0.00081 -0.00357 -0.02739 -0.03794 0.01034 207 3PZ 0.00298 -0.00155 -0.00661 -0.01510 -0.00224 208 4XX 0.00004 -0.00024 -0.00014 -0.00089 0.00225 209 4YY -0.00018 0.00030 -0.00197 -0.00201 -0.00649 210 4ZZ 0.00004 -0.00038 -0.00024 -0.00003 0.00331 211 4XY -0.00040 -0.00006 0.00076 0.00080 -0.00046 212 4XZ -0.00003 0.00007 -0.00003 0.00043 -0.00062 213 4YZ -0.00018 0.00016 -0.00216 -0.00192 0.00030 214 23 H 1S 0.00010 -0.00223 -0.01016 -0.01859 0.01320 215 2S -0.00007 -0.00185 -0.01660 -0.02115 0.01537 166 167 168 169 170 166 2S 0.32841 167 2PX 0.00356 0.35420 168 2PY 0.00425 0.00302 0.42132 169 2PZ -0.00138 -0.03284 -0.01073 0.39541 170 3S 0.26159 -0.01495 -0.01368 0.04788 0.28055 171 3PX -0.00511 0.22285 -0.01040 0.03060 -0.00401 172 3PY -0.01991 -0.02147 0.13386 0.01027 -0.00083 173 3PZ 0.01858 0.03558 0.00027 0.12340 0.01022 174 4XX -0.01360 0.00279 -0.00260 0.00167 -0.01039 175 4YY -0.00159 -0.00239 0.01161 0.00668 -0.00146 176 4ZZ -0.00202 -0.00278 -0.01459 -0.00473 0.00029 177 4XY 0.00272 0.00504 -0.00274 0.00930 0.00608 178 4XZ -0.00659 -0.00288 0.00726 -0.00235 -0.00472 179 4YZ -0.00497 0.00999 0.00394 -0.01298 -0.00770 180 19 H 1S 0.11867 -0.09134 -0.15675 0.19392 0.13519 181 2S 0.02587 -0.08104 -0.12834 0.16856 0.06098 182 20 C 1S 0.01084 0.00791 0.00995 -0.00820 0.00550 183 2S -0.02648 -0.01498 -0.03064 0.01988 -0.03248 184 2PX 0.00132 -0.01167 0.01957 0.00605 0.01604 185 2PY 0.03039 0.01097 0.01867 -0.02049 0.11225 186 2PZ -0.02914 -0.01032 -0.03722 0.00258 0.04891 187 3S -0.03134 -0.07634 -0.01167 0.05854 -0.03186 188 3PX -0.00170 -0.01694 0.01831 0.00170 0.01601 189 3PY 0.00965 0.04017 -0.02443 -0.00579 0.03469 190 3PZ -0.01931 -0.02882 -0.02680 0.01581 0.03432 191 4XX -0.00015 -0.00150 -0.00112 -0.00005 -0.00245 192 4YY 0.00310 -0.00188 0.00588 -0.00322 0.00406 193 4ZZ -0.00031 0.00652 -0.00082 0.00220 0.00117 194 4XY 0.00236 -0.00126 0.00377 -0.00254 0.00426 195 4XZ -0.00032 0.00990 -0.00130 0.00451 0.00118 196 4YZ -0.00403 -0.00201 -0.00916 0.00144 -0.00604 197 21 H 1S 0.01902 -0.00820 0.02943 -0.00981 0.05593 198 2S 0.02477 -0.02288 0.05694 -0.02354 0.06121 199 22 C 1S -0.03631 -0.00327 -0.08092 -0.00397 -0.00019 200 2S 0.06310 -0.00015 0.16505 0.01297 0.03453 201 2PX -0.01196 0.23269 -0.02891 0.08112 0.04745 202 2PY -0.16458 -0.01253 -0.31396 -0.02449 -0.12855 203 2PZ 0.01258 0.08355 0.01702 0.05858 -0.01714 204 3S 0.03393 0.05835 0.12325 -0.01617 -0.02699 205 3PX -0.00075 0.16458 -0.02321 0.05132 0.03295 206 3PY -0.03863 -0.01842 -0.08953 -0.00472 -0.00867 207 3PZ -0.00458 0.03361 0.02586 0.05456 0.00411 208 4XX -0.00517 -0.00164 -0.00707 0.00133 -0.00244 209 4YY 0.01153 0.00161 0.00549 -0.00229 0.00999 210 4ZZ -0.00753 -0.00118 -0.01158 -0.00011 -0.00851 211 4XY 0.00085 -0.01404 0.00175 0.00011 0.00325 212 4XZ 0.00165 -0.00014 0.00213 -0.00067 0.00176 213 4YZ -0.00003 -0.00006 0.00151 -0.01338 -0.00562 214 23 H 1S -0.02632 0.00349 -0.04397 -0.01820 -0.06024 215 2S -0.02545 0.01742 -0.07682 -0.04364 -0.06192 171 172 173 174 175 171 3PX 0.15002 172 3PY -0.01565 0.05595 173 3PZ 0.03706 -0.00423 0.05495 174 4XX 0.00206 -0.00014 0.00030 0.00080 175 4YY -0.00083 0.00294 0.00168 0.00009 0.00099 176 4ZZ -0.00190 -0.00347 -0.00197 0.00020 -0.00051 177 4XY 0.00478 -0.00002 0.00265 -0.00012 -0.00002 178 4XZ -0.00163 0.00256 -0.00150 0.00008 0.00023 179 4YZ 0.00445 0.00011 -0.00208 0.00021 -0.00013 180 19 H 1S -0.03139 -0.04345 0.05323 -0.00378 -0.00102 181 2S -0.02663 -0.02598 0.03664 -0.00041 -0.00062 182 20 C 1S 0.00204 0.00250 0.00271 -0.00017 -0.00132 183 2S -0.00640 -0.01393 0.00335 0.00062 0.00287 184 2PX -0.02102 0.02150 -0.00386 -0.00026 -0.00184 185 2PY 0.00673 0.03763 -0.01706 -0.00034 -0.00388 186 2PZ 0.00547 0.01010 -0.04864 -0.00120 0.00374 187 3S -0.04034 -0.00253 0.01027 0.00069 0.00409 188 3PX -0.01748 0.01720 -0.00815 -0.00061 -0.00037 189 3PY 0.02580 -0.00080 -0.00093 0.00052 -0.00224 190 3PZ -0.01154 0.01111 -0.02312 -0.00057 0.00044 191 4XX -0.00072 -0.00171 0.00111 0.00006 -0.00005 192 4YY -0.00262 0.00393 -0.00072 -0.00005 -0.00040 193 4ZZ 0.00521 -0.00094 0.00003 -0.00008 0.00032 194 4XY -0.00072 0.00190 -0.00133 -0.00017 0.00003 195 4XZ 0.00719 -0.00004 0.00310 0.00011 -0.00026 196 4YZ -0.00106 -0.00362 0.00132 0.00022 -0.00027 197 21 H 1S -0.00974 0.02825 -0.00589 -0.00024 -0.00187 198 2S -0.02122 0.03994 -0.01428 -0.00096 -0.00189 199 22 C 1S -0.00136 -0.01046 -0.00209 0.00226 -0.00650 200 2S 0.00170 0.03910 -0.00491 -0.00519 0.01155 201 2PX 0.16593 -0.00138 0.03176 0.00074 -0.00064 202 2PY 0.00344 -0.09191 -0.02829 0.00719 -0.00561 203 2PZ 0.05229 0.00005 0.05478 0.00131 -0.00237 204 3S 0.03495 0.00586 0.00433 -0.00279 0.01024 205 3PX 0.11692 -0.00458 0.02637 0.00029 -0.00117 206 3PY -0.00624 -0.01750 -0.01626 0.00123 -0.00169 207 3PZ 0.02722 0.01417 0.02513 0.00029 0.00013 208 4XX -0.00099 -0.00101 -0.00003 0.00030 -0.00042 209 4YY 0.00016 0.00156 0.00044 -0.00041 -0.00014 210 4ZZ -0.00016 -0.00424 -0.00009 0.00033 -0.00011 211 4XY -0.00898 0.00201 -0.00240 -0.00019 0.00009 212 4XZ 0.00010 0.00046 0.00053 -0.00003 -0.00013 213 4YZ -0.00224 -0.00091 -0.00314 -0.00005 -0.00015 214 23 H 1S -0.00055 -0.02422 0.00234 0.00111 0.00080 215 2S 0.00353 -0.03537 -0.00035 0.00185 -0.00242 176 177 178 179 180 176 4ZZ 0.00107 177 4XY 0.00007 0.00079 178 4XZ -0.00021 -0.00008 0.00062 179 4YZ -0.00004 -0.00039 0.00033 0.00146 180 19 H 1S 0.00370 0.00596 -0.00598 -0.01292 0.21503 181 2S 0.00357 0.00528 -0.00406 -0.01139 0.15947 182 20 C 1S 0.00023 -0.00048 0.00039 0.00232 -0.00904 183 2S -0.00006 0.00112 -0.00093 -0.00498 0.02077 184 2PX 0.00124 0.00532 0.00104 0.00520 -0.00711 185 2PY -0.00009 -0.00146 0.00104 0.00506 -0.01521 186 2PZ 0.00100 0.00727 0.00026 -0.00798 0.03046 187 3S -0.00073 -0.00059 -0.00085 -0.00847 0.04412 188 3PX 0.00047 0.00357 0.00154 0.00266 -0.00494 189 3PY 0.00045 0.00038 -0.00053 0.00298 -0.00293 190 3PZ 0.00205 0.00481 0.00051 -0.00415 0.02805 191 4XX -0.00008 -0.00031 0.00016 0.00024 -0.00033 192 4YY 0.00015 -0.00013 -0.00019 0.00012 -0.00192 193 4ZZ -0.00017 0.00035 0.00012 0.00008 0.00001 194 4XY -0.00008 -0.00013 0.00012 -0.00005 -0.00121 195 4XZ 0.00007 0.00037 -0.00002 0.00019 0.00027 196 4YZ 0.00038 -0.00013 -0.00006 0.00014 0.00224 197 21 H 1S -0.00024 -0.00092 0.00014 0.00218 -0.01028 198 2S -0.00009 -0.00090 0.00054 0.00192 -0.01884 199 22 C 1S 0.00331 -0.00028 -0.00063 -0.00030 0.01320 200 2S -0.00754 0.00057 0.00164 -0.00001 -0.02634 201 2PX -0.00025 0.01415 -0.00027 0.00022 0.00672 202 2PY 0.01165 -0.00041 -0.00198 0.00152 0.04366 203 2PZ 0.00004 -0.00041 0.00033 0.01340 -0.01805 204 3S -0.00838 -0.00210 0.00218 0.00559 -0.05997 205 3PX 0.00021 0.00902 0.00021 0.00219 0.00114 206 3PY 0.00418 0.00105 -0.00055 -0.00106 0.02394 207 3PZ -0.00009 0.00238 0.00073 0.00308 0.00234 208 4XX 0.00034 0.00012 0.00000 -0.00001 0.00152 209 4YY -0.00012 -0.00005 -0.00014 0.00022 0.00044 210 4ZZ 0.00043 -0.00011 -0.00011 -0.00019 0.00186 211 4XY 0.00006 -0.00008 0.00016 -0.00051 0.00313 212 4XZ -0.00010 -0.00022 0.00009 -0.00002 -0.00071 213 4YZ 0.00020 -0.00051 0.00007 0.00088 -0.00761 214 23 H 1S 0.00190 -0.00321 -0.00015 0.00763 -0.01591 215 2S 0.00337 -0.00335 -0.00105 0.00735 -0.01779 181 182 183 184 185 181 2S 0.13957 182 20 C 1S -0.01348 2.05563 183 2S 0.02849 -0.06199 0.32947 184 2PX -0.00830 -0.00455 0.01445 0.32052 185 2PY -0.02606 -0.00543 0.00158 0.00004 0.42814 186 2PZ 0.06525 -0.00243 0.00735 -0.04032 -0.01292 187 3S 0.05026 -0.21127 0.31712 -0.03616 0.02026 188 3PX -0.00291 0.00719 -0.00001 0.17397 0.00924 189 3PY -0.00826 0.01441 -0.00165 0.01443 0.13717 190 3PZ 0.04420 0.00208 -0.00829 0.03275 0.00744 191 4XX -0.00162 -0.01171 -0.01203 -0.00595 -0.00465 192 4YY -0.00206 -0.01873 0.00298 0.00870 0.01350 193 4ZZ 0.00061 -0.01331 -0.00798 -0.00421 -0.00529 194 4XY -0.00136 -0.00090 0.00150 -0.00657 0.01215 195 4XZ 0.00006 0.00239 -0.00522 -0.00070 0.00257 196 4YZ 0.00188 0.00163 -0.00342 0.00172 -0.00895 197 21 H 1S -0.01683 -0.06386 0.12120 0.05417 0.25547 198 2S -0.02146 -0.01624 0.02996 0.05257 0.20865 199 22 C 1S 0.01530 0.01495 -0.02733 0.02250 0.01914 200 2S -0.02534 -0.02976 0.05058 -0.04352 -0.03403 201 2PX 0.02266 -0.01500 0.03527 0.09770 -0.01430 202 2PY 0.07507 -0.02542 0.05762 -0.04224 -0.01437 203 2PZ -0.04340 0.06810 -0.13688 0.13685 0.07543 204 3S -0.06162 0.01510 0.00891 -0.06150 -0.07100 205 3PX 0.00565 0.00685 -0.00423 0.06730 0.00185 206 3PY 0.03455 -0.00761 0.01153 -0.01517 0.02432 207 3PZ -0.00034 0.00325 -0.02744 0.06125 0.03389 208 4XX 0.00226 0.00086 -0.00196 0.00667 0.00099 209 4YY -0.00277 0.00241 -0.00561 0.00312 0.00962 210 4ZZ 0.00331 -0.00471 0.00869 -0.00563 -0.00738 211 4XY 0.00297 -0.00143 0.00251 0.00199 0.00282 212 4XZ -0.00159 0.00277 -0.00528 -0.00751 0.00438 213 4YZ -0.00729 0.00364 -0.00682 0.00385 -0.00622 214 23 H 1S -0.01784 0.01279 -0.02717 0.01560 -0.00313 215 2S -0.02170 0.01748 -0.03045 0.03086 -0.01817 186 187 188 189 190 186 2PZ 0.39027 187 3S -0.00281 0.35868 188 3PX 0.01557 -0.02716 0.10525 189 3PY -0.00735 -0.01157 0.00934 0.05547 190 3PZ 0.17987 -0.01462 0.03581 -0.00039 0.10092 191 4XX -0.00673 -0.00970 -0.00370 -0.00149 -0.00383 192 4YY -0.01033 0.00483 0.00359 0.00367 -0.00260 193 4ZZ 0.01330 -0.00912 -0.00060 -0.00094 0.00496 194 4XY 0.00246 0.00374 -0.00263 0.00271 0.00059 195 4XZ -0.00290 -0.00598 -0.00044 0.00179 -0.00101 196 4YZ -0.00851 -0.00425 -0.00008 -0.00212 -0.00315 197 21 H 1S -0.06107 0.12964 0.02662 0.07929 -0.01634 198 2S -0.03409 0.03779 0.02702 0.05887 0.00228 199 22 C 1S -0.06652 -0.00675 0.00346 0.00809 -0.01271 200 2S 0.14347 0.03260 -0.00604 -0.02170 0.03967 201 2PX 0.16530 -0.02126 0.06702 0.02261 0.08998 202 2PY 0.11894 0.02692 -0.01941 0.01871 0.05428 203 2PZ -0.22588 -0.17589 0.05982 0.04729 -0.08386 204 3S 0.06357 -0.02285 -0.02134 -0.01882 -0.01185 205 3PX 0.07374 -0.04646 0.04401 0.02158 0.04391 206 3PY 0.08103 0.00341 -0.00207 0.01129 0.04172 207 3PZ -0.04125 -0.03835 0.03192 0.01497 -0.00514 208 4XX -0.00264 -0.00192 0.00330 0.00092 0.00087 209 4YY -0.00715 -0.00569 0.00136 0.00306 -0.00282 210 4ZZ 0.00096 0.00860 -0.00369 -0.00196 -0.00068 211 4XY 0.00395 0.00533 0.00200 -0.00088 0.00320 212 4XZ -0.00544 -0.00276 -0.00429 0.00074 -0.00308 213 4YZ -0.00739 -0.01001 0.00153 -0.00158 -0.00371 214 23 H 1S -0.04623 -0.05928 0.00515 0.01079 -0.02722 215 2S -0.08765 -0.06167 0.00711 0.00983 -0.04200 191 192 193 194 195 191 4XX 0.00123 192 4YY -0.00041 0.00170 193 4ZZ 0.00022 -0.00086 0.00141 194 4XY -0.00024 0.00027 -0.00006 0.00072 195 4XZ 0.00021 -0.00001 0.00012 0.00000 0.00076 196 4YZ 0.00036 -0.00020 -0.00001 -0.00046 0.00000 197 21 H 1S -0.00745 0.01333 -0.00892 0.00697 -0.00046 198 2S -0.00500 0.01151 -0.00626 0.00586 -0.00004 199 22 C 1S 0.00182 0.00272 -0.00542 -0.00102 0.00282 200 2S -0.00418 -0.00579 0.00981 0.00211 -0.00538 201 2PX -0.00738 -0.00396 0.00912 -0.00194 0.00864 202 2PY -0.00122 -0.00847 0.00581 -0.00290 -0.00208 203 2PZ 0.00531 0.00597 -0.00062 -0.00418 0.00629 204 3S 0.00093 -0.00988 0.01066 -0.00035 -0.00373 205 3PX -0.00331 -0.00251 0.00625 -0.00146 0.00691 206 3PY -0.00191 -0.00187 0.00298 0.00046 -0.00078 207 3PZ -0.00022 0.00264 0.00054 -0.00087 0.00300 208 4XX 0.00007 0.00023 -0.00033 -0.00021 0.00018 209 4YY 0.00003 0.00064 -0.00024 0.00025 0.00014 210 4ZZ -0.00006 -0.00039 -0.00002 -0.00017 -0.00015 211 4XY -0.00017 0.00022 -0.00032 0.00022 -0.00041 212 4XZ 0.00043 0.00004 -0.00018 0.00028 0.00021 213 4YZ 0.00032 0.00003 0.00007 -0.00031 -0.00021 214 23 H 1S 0.00194 -0.00200 0.00377 -0.00252 -0.00164 215 2S 0.00274 -0.00036 0.00049 -0.00343 -0.00038 196 197 198 199 200 196 4YZ 0.00087 197 21 H 1S -0.00588 0.21475 198 2S -0.00501 0.15355 0.13419 199 22 C 1S 0.00312 0.01144 0.01046 2.05362 200 2S -0.00620 -0.02285 -0.01783 -0.06314 0.32857 201 2PX -0.00464 -0.01191 -0.02066 0.00004 0.00296 202 2PY 0.00801 -0.03115 -0.05661 0.00106 -0.00459 203 2PZ 0.00777 0.03166 0.03832 -0.00420 -0.00146 204 3S -0.00221 -0.06262 -0.06109 -0.17105 0.26034 205 3PX -0.00176 -0.00870 -0.01192 0.00174 -0.00409 206 3PY 0.00090 0.00139 -0.00075 -0.00329 0.02038 207 3PZ 0.00117 0.02196 0.02312 -0.00236 0.01924 208 4XX 0.00025 0.00090 0.00100 -0.01179 -0.01384 209 4YY -0.00021 0.00552 0.00604 -0.01767 -0.00136 210 4ZZ 0.00040 -0.00268 -0.00495 -0.01768 -0.00203 211 4XY -0.00020 0.00299 0.00318 0.00093 -0.00158 212 4XZ -0.00004 0.00050 0.00115 0.00293 -0.00627 213 4YZ 0.00049 -0.00476 -0.00230 -0.00283 0.00545 214 23 H 1S 0.00562 -0.01409 -0.01571 -0.06369 0.11862 215 2S 0.00665 -0.01573 -0.01821 -0.01455 0.02566 201 202 203 204 205 201 2PX 0.35391 202 2PY 0.00183 0.42142 203 2PZ -0.03201 0.01317 0.39562 204 3S -0.01274 0.01545 0.04949 0.27873 205 3PX 0.22353 0.00342 0.03033 -0.00272 0.15047 206 3PY 0.01380 0.13110 -0.01275 0.00132 0.00764 207 3PZ 0.03497 -0.00329 0.12269 0.01147 0.03673 208 4XX 0.00238 0.00203 0.00051 -0.01107 0.00150 209 4YY -0.00247 -0.01108 0.00778 -0.00080 -0.00036 210 4ZZ -0.00192 0.01479 -0.00465 0.00039 -0.00178 211 4XY -0.00562 -0.00342 -0.00885 -0.00530 -0.00497 212 4XZ -0.00425 -0.00672 -0.00143 -0.00416 -0.00222 213 4YZ -0.00944 0.00501 0.01316 0.00806 -0.00427 214 23 H 1S -0.07995 0.16246 0.19437 0.13562 -0.02798 215 2S -0.07143 0.13385 0.16905 0.06162 -0.02418 206 207 208 209 210 206 3PY 0.05351 207 3PZ 0.00123 0.05419 208 4XX 0.00003 -0.00002 0.00084 209 4YY -0.00288 0.00202 0.00007 0.00099 210 4ZZ 0.00356 -0.00202 0.00018 -0.00049 0.00108 211 4XY 0.00015 -0.00249 0.00016 0.00000 -0.00013 212 4XZ -0.00241 -0.00140 0.00007 0.00024 -0.00021 213 4YZ 0.00057 0.00218 -0.00026 0.00016 0.00006 214 23 H 1S 0.04517 0.05312 -0.00453 -0.00034 0.00379 215 2S 0.02759 0.03648 -0.00110 -0.00001 0.00368 211 212 213 214 215 211 4XY 0.00077 212 4XZ 0.00006 0.00058 213 4YZ -0.00036 -0.00026 0.00150 214 23 H 1S -0.00566 -0.00504 0.01330 0.21506 215 2S -0.00527 -0.00320 0.01165 0.15965 0.13987 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05492 2 2S -0.01450 0.33261 3 2PX 0.00000 0.00000 0.37446 4 2PY 0.00000 0.00000 0.00000 0.44326 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.35702 6 3S -0.03655 0.25885 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10436 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.06700 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.10845 10 4XX -0.00127 -0.00451 0.00000 0.00000 0.00000 11 4YY -0.00145 -0.00023 0.00000 0.00000 0.00000 12 4ZZ -0.00117 -0.00642 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00026 -0.00063 -0.00047 -0.00050 17 2S -0.00024 0.00666 0.01210 0.00955 0.00936 18 2PX -0.00061 0.01131 0.00516 0.01275 0.01775 19 2PY -0.00044 0.00757 0.01279 0.00287 0.01073 20 2PZ -0.00049 0.00934 0.01828 0.01069 0.00154 21 3S 0.00001 0.00691 0.01336 0.00940 0.01110 22 3PX 0.00028 -0.00033 0.00046 0.00260 0.00338 23 3PY -0.00024 0.00571 0.00608 0.00146 0.00536 24 3PZ 0.00010 0.00108 0.00408 0.00191 0.00081 25 4XX -0.00001 0.00023 -0.00057 0.00050 0.00029 26 4YY 0.00000 -0.00015 -0.00001 -0.00049 -0.00007 27 4ZZ -0.00001 0.00020 0.00037 0.00050 -0.00032 28 4XY -0.00008 0.00137 0.00051 0.00038 0.00176 29 4XZ -0.00004 0.00067 0.00003 0.00076 -0.00003 30 4YZ -0.00006 0.00102 0.00168 0.00026 0.00013 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00006 -0.00015 0.00000 -0.00010 33 2PX 0.00000 -0.00018 -0.00029 -0.00001 -0.00029 34 2PY 0.00000 0.00000 0.00001 -0.00002 0.00001 35 2PZ 0.00000 -0.00009 -0.00024 -0.00001 -0.00010 36 3S 0.00012 -0.00277 -0.00441 -0.00010 -0.00294 37 3PX 0.00016 -0.00323 -0.00337 -0.00009 -0.00312 38 3PY 0.00000 0.00000 0.00015 -0.00028 0.00008 39 3PZ 0.00007 -0.00122 -0.00179 -0.00003 -0.00088 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00003 0.00000 0.00001 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00003 49 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 50 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00001 51 3S 0.00000 0.00028 0.00007 -0.00019 0.00006 52 3PX 0.00002 -0.00042 0.00009 -0.00021 -0.00036 53 3PY 0.00000 0.00007 0.00011 -0.00007 -0.00004 54 3PZ 0.00000 0.00007 0.00024 -0.00021 0.00010 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00006 -0.00003 -0.00023 -0.00003 63 2PX 0.00000 -0.00006 -0.00004 -0.00015 0.00001 64 2PY 0.00000 -0.00015 -0.00006 -0.00042 -0.00004 65 2PZ 0.00000 -0.00004 0.00001 -0.00012 -0.00001 66 3S 0.00001 -0.00090 -0.00115 -0.00241 -0.00063 67 3PX 0.00002 -0.00044 0.00002 -0.00068 -0.00027 68 3PY -0.00014 0.00155 -0.00046 0.00280 -0.00006 69 3PZ 0.00001 -0.00021 -0.00031 -0.00037 0.00015 70 4XX 0.00000 0.00000 0.00000 -0.00001 0.00001 71 4YY 0.00000 0.00002 0.00001 0.00008 0.00000 72 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 73 4XY 0.00000 0.00000 -0.00001 0.00001 0.00002 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00002 0.00001 -0.00001 76 6 C 1S 0.00000 -0.00083 0.00000 -0.00389 0.00000 77 2S -0.00083 0.01514 0.00004 0.05029 0.00000 78 2PX 0.00000 0.00006 0.01726 0.00022 0.00000 79 2PY -0.00390 0.05030 0.00019 0.10920 -0.00001 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.02261 81 3S 0.00144 -0.00464 0.00013 0.03402 0.00000 82 3PX -0.00003 0.00012 0.02256 0.00025 0.00000 83 3PY -0.00024 0.00967 -0.00011 0.01487 -0.00001 84 3PZ 0.00000 0.00000 0.00000 0.00001 0.03016 85 4XX 0.00000 -0.00063 0.00000 -0.00155 0.00000 86 4YY -0.00033 0.00351 0.00002 0.00232 0.00000 87 4ZZ 0.00000 -0.00058 -0.00001 -0.00140 0.00000 88 4XY 0.00000 0.00001 0.00268 -0.00001 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00265 91 7 H 1S -0.00196 0.03167 0.04258 0.02682 0.02920 92 2S -0.00093 0.01021 0.02709 0.01432 0.01844 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00010 0.00023 0.00003 0.00012 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 -0.00001 0.00001 0.00000 -0.00002 97 10 H 1S 0.00000 -0.00021 -0.00006 -0.00065 -0.00005 98 2S 0.00021 -0.00301 -0.00102 -0.00749 -0.00086 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00002 -0.00001 -0.00006 -0.00001 101 2PX 0.00000 -0.00004 -0.00001 -0.00011 -0.00004 102 2PY 0.00000 -0.00005 -0.00005 -0.00019 -0.00006 103 2PZ 0.00000 -0.00003 -0.00004 -0.00011 -0.00001 104 3S 0.00000 0.00001 0.00024 -0.00228 0.00016 105 3PX 0.00005 -0.00122 0.00006 -0.00209 -0.00083 106 3PY 0.00004 -0.00094 -0.00046 -0.00316 -0.00069 107 3PZ 0.00005 -0.00112 -0.00084 -0.00217 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 109 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00001 0.00000 0.00003 0.00000 120 3PX 0.00000 0.00001 0.00000 0.00002 -0.00001 121 3PY 0.00000 0.00002 0.00001 0.00007 0.00000 122 3PZ 0.00000 0.00000 -0.00001 0.00002 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00001 -0.00007 -0.00001 0.00000 154 3PX 0.00000 0.00003 -0.00014 0.00000 0.00004 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 -0.00001 0.00011 0.00000 0.00000 171 3PX 0.00000 -0.00020 0.00001 0.00000 0.00005 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00009 0.00000 -0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00001 0.00000 0.00000 0.00003 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 188 3PX 0.00000 0.00000 -0.00007 0.00001 0.00001 189 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00002 -0.00001 0.00000 205 3PX 0.00000 -0.00009 -0.00008 0.00000 0.00002 206 3PY 0.00000 0.00001 0.00002 0.00000 0.00000 207 3PZ 0.00000 -0.00001 0.00001 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.45801 7 3PX 0.00000 0.10403 8 3PY 0.00000 0.00000 0.06104 9 3PZ 0.00000 0.00000 0.00000 0.11314 10 4XX -0.00206 0.00000 0.00000 0.00000 0.00073 11 4YY -0.00263 0.00000 0.00000 0.00000 -0.00007 12 4ZZ -0.00368 0.00000 0.00000 0.00000 0.00015 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00102 0.00036 -0.00110 0.00014 -0.00002 17 2S -0.00254 0.00232 0.00744 0.00229 0.00037 18 2PX 0.01691 -0.00126 0.00970 0.01004 -0.00036 19 2PY 0.01506 0.00976 0.00118 0.00771 0.00038 20 2PZ 0.01147 0.00980 0.00856 -0.00081 0.00028 21 3S -0.00281 0.00516 0.00473 0.00557 0.00057 22 3PX -0.00075 0.00115 0.00117 0.00328 -0.00029 23 3PY -0.00082 0.00129 0.00060 0.00196 -0.00022 24 3PZ -0.00387 0.00234 0.00241 0.00274 0.00048 25 4XX 0.00091 -0.00061 -0.00010 0.00100 0.00001 26 4YY -0.00056 -0.00016 -0.00026 -0.00015 -0.00005 27 4ZZ 0.00167 0.00138 -0.00007 -0.00050 0.00001 28 4XY 0.00149 -0.00003 -0.00002 0.00048 -0.00001 29 4XZ 0.00030 0.00000 0.00009 0.00001 0.00001 30 4YZ 0.00118 0.00049 -0.00001 0.00000 -0.00004 31 3 C 1S 0.00008 0.00006 0.00001 0.00005 0.00000 32 2S -0.00235 -0.00176 -0.00007 -0.00112 0.00001 33 2PX -0.00408 -0.00152 -0.00026 -0.00228 0.00001 34 2PY 0.00008 0.00005 -0.00035 0.00002 0.00000 35 2PZ -0.00258 -0.00263 -0.00014 -0.00052 0.00002 36 3S -0.02432 -0.00915 -0.00002 -0.00503 0.00014 37 3PX -0.01234 -0.00320 -0.00053 -0.00452 0.00008 38 3PY -0.00015 0.00027 -0.00269 0.00014 0.00000 39 3PZ -0.00625 -0.00313 -0.00019 -0.00067 0.00022 40 4XX 0.00003 -0.00003 0.00000 0.00020 0.00000 41 4YY 0.00001 -0.00009 0.00000 -0.00005 0.00000 42 4ZZ 0.00013 0.00027 0.00001 0.00000 0.00000 43 4XY 0.00001 0.00001 -0.00003 0.00000 0.00000 44 4XZ -0.00001 0.00008 0.00000 0.00000 0.00000 45 4YZ 0.00001 0.00001 -0.00002 0.00000 0.00000 46 4 C 1S 0.00001 0.00002 0.00001 0.00001 0.00000 47 2S 0.00004 -0.00033 0.00006 -0.00016 0.00000 48 2PX -0.00048 0.00008 0.00003 -0.00068 0.00000 49 2PY -0.00005 -0.00010 -0.00004 -0.00016 0.00000 50 2PZ -0.00007 -0.00025 -0.00007 0.00016 0.00000 51 3S 0.00578 -0.00094 0.00227 -0.00072 0.00000 52 3PX -0.00187 0.00031 0.00001 -0.00156 -0.00001 53 3PY 0.00299 0.00032 0.00002 -0.00037 -0.00001 54 3PZ 0.00015 0.00048 -0.00025 0.00008 0.00002 55 4XX -0.00003 -0.00003 -0.00002 0.00003 0.00000 56 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00003 0.00000 -0.00002 0.00000 58 4XY -0.00003 -0.00002 0.00001 -0.00001 0.00000 59 4XZ -0.00001 0.00001 -0.00001 -0.00001 0.00000 60 4YZ -0.00002 -0.00002 0.00001 -0.00001 0.00000 61 5 C 1S -0.00007 -0.00003 0.00001 -0.00002 0.00000 62 2S 0.00004 0.00005 -0.00154 -0.00010 0.00000 63 2PX -0.00029 0.00001 -0.00018 -0.00004 0.00000 64 2PY -0.00413 -0.00051 -0.00408 -0.00023 0.00000 65 2PZ 0.00011 0.00002 0.00018 0.00002 0.00000 66 3S -0.00126 -0.00158 -0.00461 -0.00062 0.00005 67 3PX -0.00162 0.00050 0.00023 -0.00070 0.00001 68 3PY 0.00297 -0.00064 0.00203 0.00026 -0.00008 69 3PZ 0.00001 -0.00059 0.00101 0.00014 0.00002 70 4XX -0.00013 -0.00011 -0.00015 0.00016 0.00000 71 4YY 0.00025 0.00000 0.00039 -0.00003 0.00000 72 4ZZ -0.00014 0.00014 -0.00017 -0.00009 0.00000 73 4XY -0.00015 0.00000 -0.00021 0.00013 0.00000 74 4XZ -0.00002 0.00000 -0.00003 0.00000 0.00000 75 4YZ -0.00010 0.00012 -0.00018 0.00004 0.00000 76 6 C 1S 0.00143 0.00003 -0.00029 0.00000 0.00000 77 2S -0.00466 -0.00010 0.00985 0.00000 -0.00063 78 2PX -0.00006 0.02268 0.00025 0.00000 0.00001 79 2PY 0.03457 -0.00010 0.01499 -0.00001 -0.00152 80 2PZ 0.00000 0.00000 0.00001 0.03008 0.00000 81 3S -0.09820 -0.00010 -0.02386 0.00000 -0.00122 82 3PX 0.00004 0.03485 0.00028 0.00000 -0.00001 83 3PY -0.02368 -0.00020 0.00022 -0.00001 -0.00116 84 3PZ 0.00000 0.00000 0.00001 0.04677 0.00000 85 4XX -0.00122 0.00000 -0.00117 0.00000 0.00003 86 4YY 0.00382 0.00001 0.00093 0.00000 -0.00004 87 4ZZ -0.00106 -0.00001 -0.00101 0.00000 0.00001 88 4XY 0.00000 0.00118 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00127 0.00000 91 7 H 1S 0.04284 0.02165 0.00855 0.01512 0.00078 92 2S 0.00399 0.02106 0.00609 0.01415 0.00147 93 8 H 1S 0.00007 0.00011 0.00003 0.00006 0.00000 94 2S 0.00197 0.00189 0.00024 0.00074 -0.00001 95 9 H 1S 0.00000 0.00000 0.00001 -0.00001 0.00000 96 2S -0.00022 0.00008 -0.00001 -0.00024 0.00000 97 10 H 1S -0.00357 -0.00044 -0.00306 -0.00037 0.00000 98 2S -0.00505 -0.00195 -0.00613 -0.00144 0.00011 99 11 O 1S 0.00002 -0.00003 0.00000 -0.00002 0.00000 100 2S -0.00077 0.00022 0.00063 0.00012 0.00000 101 2PX -0.00239 0.00007 0.00072 -0.00040 0.00000 102 2PY -0.00380 -0.00200 0.00190 -0.00185 0.00000 103 2PZ -0.00269 -0.00068 0.00105 0.00001 0.00000 104 3S 0.00097 0.00248 -0.00218 0.00208 -0.00001 105 3PX -0.01174 0.00058 0.00182 -0.00181 -0.00002 106 3PY -0.01367 -0.00480 0.00330 -0.00470 -0.00010 107 3PZ -0.01268 -0.00256 0.00256 -0.00001 0.00003 108 4XX 0.00011 -0.00001 -0.00009 0.00002 0.00000 109 4YY -0.00061 -0.00030 0.00044 -0.00025 0.00000 110 4ZZ 0.00003 0.00003 -0.00003 -0.00001 0.00000 111 4XY -0.00011 -0.00001 0.00011 0.00003 0.00000 112 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 113 4YZ -0.00017 -0.00001 0.00016 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00001 0.00000 0.00004 -0.00001 0.00000 116 2PX 0.00003 0.00000 0.00011 -0.00002 0.00000 117 2PY 0.00010 0.00002 0.00017 0.00000 0.00000 118 2PZ 0.00003 -0.00002 0.00010 0.00000 0.00000 119 3S 0.00004 -0.00005 0.00033 -0.00002 0.00000 120 3PX 0.00045 -0.00006 0.00104 -0.00021 0.00000 121 3PY 0.00102 0.00018 0.00134 0.00002 0.00000 122 3PZ 0.00040 -0.00017 0.00098 -0.00011 0.00000 123 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 124 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00001 0.00000 0.00002 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00001 0.00009 -0.00001 -0.00002 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00001 0.00001 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00002 0.00000 0.00000 0.00000 150 2PX 0.00004 -0.00010 0.00001 0.00002 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00011 -0.00071 -0.00008 0.00003 0.00000 154 3PX 0.00098 -0.00133 0.00000 0.00032 0.00000 155 3PY 0.00013 -0.00005 0.00004 0.00001 0.00000 156 3PZ -0.00001 -0.00002 -0.00002 0.00007 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00011 0.00004 -0.00004 0.00002 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00003 -0.00008 0.00000 -0.00003 0.00000 167 2PX 0.00008 0.00009 0.00000 -0.00002 0.00000 168 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 169 2PZ 0.00003 0.00004 0.00000 0.00000 0.00000 170 3S 0.00012 0.00085 0.00002 0.00001 0.00000 171 3PX 0.00066 0.00115 -0.00002 0.00019 0.00000 172 3PY -0.00001 0.00001 -0.00003 0.00001 0.00000 173 3PZ 0.00007 0.00049 0.00001 -0.00007 0.00000 174 4XX 0.00000 0.00002 0.00000 0.00001 0.00000 175 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 176 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 181 2S -0.00026 0.00013 0.00005 0.00026 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 -0.00002 0.00000 0.00001 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S -0.00007 -0.00013 0.00004 0.00000 0.00000 188 3PX -0.00016 -0.00063 -0.00003 0.00013 0.00000 189 3PY -0.00011 -0.00012 -0.00001 0.00000 0.00000 190 3PZ 0.00000 0.00002 -0.00002 0.00003 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00001 -0.00001 -0.00002 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S -0.00001 -0.00005 -0.00001 -0.00001 0.00000 201 2PX 0.00002 0.00001 0.00004 -0.00002 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 204 3S -0.00003 0.00005 0.00001 0.00005 0.00000 205 3PX 0.00008 0.00056 0.00016 0.00006 0.00000 206 3PY 0.00006 0.00011 0.00000 0.00002 0.00000 207 3PZ 0.00003 0.00014 0.00004 -0.00006 0.00000 208 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 215 2S 0.00006 0.00001 0.00007 -0.00003 0.00000 11 12 13 14 15 11 4YY 0.00076 12 4ZZ -0.00004 0.00067 13 4XY 0.00000 0.00000 0.00128 14 4XZ 0.00000 0.00000 0.00000 0.00066 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00111 16 2 C 1S 0.00000 -0.00001 -0.00005 -0.00004 -0.00004 17 2S -0.00014 0.00023 0.00089 0.00070 0.00071 18 2PX -0.00003 0.00015 0.00038 0.00012 0.00093 19 2PY -0.00038 0.00014 0.00011 0.00087 0.00007 20 2PZ -0.00001 -0.00024 0.00096 0.00003 0.00014 21 3S -0.00051 0.00041 0.00050 0.00024 0.00035 22 3PX -0.00010 0.00051 0.00000 -0.00001 0.00012 23 3PY 0.00014 -0.00013 -0.00009 0.00004 -0.00006 24 3PZ 0.00012 -0.00035 0.00016 0.00001 0.00000 25 4XX -0.00004 0.00001 -0.00002 0.00002 -0.00009 26 4YY 0.00002 -0.00003 0.00000 -0.00007 0.00000 27 4ZZ -0.00004 0.00000 -0.00008 0.00000 0.00000 28 4XY -0.00001 -0.00005 0.00004 0.00002 -0.00002 29 4XZ -0.00003 0.00000 0.00000 0.00002 0.00000 30 4YZ -0.00001 0.00000 -0.00002 0.00001 0.00002 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00002 0.00000 0.00003 0.00000 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 36 3S 0.00000 0.00006 -0.00001 0.00004 -0.00001 37 3PX -0.00011 0.00024 -0.00001 0.00010 -0.00001 38 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 39 3PZ -0.00004 0.00001 -0.00001 0.00003 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00000 -0.00001 -0.00005 0.00000 -0.00003 52 3PX -0.00003 0.00001 -0.00004 -0.00001 -0.00002 53 3PY 0.00000 0.00000 0.00001 -0.00001 0.00001 54 3PZ 0.00000 -0.00001 -0.00002 0.00000 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00001 0.00000 0.00001 63 2PX 0.00001 0.00000 0.00001 0.00000 0.00002 64 2PY 0.00002 0.00000 0.00003 0.00000 0.00002 65 2PZ 0.00001 0.00000 0.00002 0.00000 0.00000 66 3S 0.00001 0.00004 0.00012 0.00001 0.00008 67 3PX 0.00000 0.00002 0.00000 0.00000 0.00004 68 3PY 0.00007 -0.00006 0.00011 0.00000 0.00007 69 3PZ 0.00001 0.00000 0.00004 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00033 0.00000 0.00000 0.00000 0.00000 77 2S 0.00350 -0.00058 0.00001 0.00000 0.00000 78 2PX 0.00001 0.00001 0.00265 0.00000 0.00000 79 2PY 0.00225 -0.00141 0.00005 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00264 81 3S 0.00382 -0.00105 0.00000 0.00000 0.00000 82 3PX 0.00001 0.00001 0.00116 0.00000 0.00000 83 3PY 0.00093 -0.00101 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00127 85 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 86 4YY 0.00004 -0.00005 0.00000 0.00000 0.00000 87 4ZZ -0.00005 0.00003 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 -0.00021 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00010 91 7 H 1S -0.00065 0.00004 0.00209 0.00174 0.00148 92 2S -0.00108 0.00073 0.00045 0.00027 0.00032 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00003 0.00000 0.00005 0.00000 0.00004 98 2S -0.00009 0.00013 0.00023 0.00000 0.00017 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 102 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 103 2PZ 0.00001 0.00000 0.00001 0.00000 0.00000 104 3S 0.00006 -0.00001 0.00000 0.00000 -0.00001 105 3PX 0.00011 0.00003 0.00000 0.00000 0.00009 106 3PY 0.00042 -0.00001 0.00007 -0.00004 0.00012 107 3PZ 0.00016 -0.00003 0.00009 0.00000 -0.00001 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00001 0.00000 0.00000 0.00000 0.00001 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX -0.00001 0.00000 0.00000 0.00001 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05436 17 2S -0.01560 0.35901 18 2PX 0.00000 0.00000 0.36552 19 2PY 0.00000 0.00000 0.00000 0.42987 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.33756 21 3S -0.02748 0.20469 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.05122 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 -0.00365 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.06467 25 4XX -0.00097 -0.00912 0.00000 0.00000 0.00000 26 4YY -0.00120 -0.00251 0.00000 0.00000 0.00000 27 4ZZ -0.00088 -0.01074 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00029 -0.00087 -0.00035 -0.00042 32 2S -0.00029 0.00754 0.01559 0.00549 0.00750 33 2PX -0.00088 0.01683 0.01244 0.01381 0.02080 34 2PY -0.00038 0.00762 0.01395 0.00034 0.00615 35 2PZ -0.00046 0.00897 0.01993 0.00644 0.00064 36 3S 0.00099 0.00008 0.02466 0.01261 0.01282 37 3PX -0.00030 0.00825 0.00066 0.00881 0.01485 38 3PY -0.00090 0.00684 0.00868 0.00164 0.00380 39 3PZ 0.00014 0.00255 0.00984 0.00544 -0.00241 40 4XX -0.00004 0.00083 -0.00029 0.00059 0.00059 41 4YY 0.00000 -0.00029 -0.00031 -0.00021 -0.00015 42 4ZZ 0.00000 -0.00009 -0.00021 -0.00010 -0.00021 43 4XY -0.00006 0.00092 0.00062 -0.00001 0.00086 44 4XZ -0.00005 0.00091 0.00049 0.00083 0.00005 45 4YZ -0.00003 0.00045 0.00087 0.00000 0.00003 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00004 -0.00005 -0.00011 -0.00003 48 2PX 0.00000 -0.00004 -0.00002 -0.00004 0.00000 49 2PY 0.00000 -0.00018 -0.00016 -0.00031 -0.00004 50 2PZ 0.00000 -0.00001 -0.00002 -0.00002 0.00000 51 3S -0.00004 -0.00019 -0.00066 -0.00283 -0.00064 52 3PX 0.00001 -0.00063 -0.00005 -0.00023 -0.00031 53 3PY 0.00003 -0.00161 -0.00089 -0.00394 -0.00021 54 3PZ -0.00001 0.00009 -0.00014 0.00000 0.00018 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00001 0.00001 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00001 0.00001 0.00002 0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00001 0.00001 0.00001 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 -0.00002 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 -0.00002 0.00000 -0.00005 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00002 -0.00039 0.00000 -0.00076 0.00000 67 3PX 0.00000 0.00000 -0.00009 0.00000 0.00000 68 3PY 0.00008 -0.00104 0.00002 0.00054 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00007 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00006 -0.00005 -0.00017 -0.00004 78 2PX 0.00000 -0.00002 -0.00002 -0.00005 0.00001 79 2PY 0.00000 -0.00025 -0.00013 -0.00047 -0.00012 80 2PZ 0.00000 -0.00003 0.00001 -0.00004 -0.00001 81 3S -0.00007 0.00003 -0.00014 -0.00425 0.00011 82 3PX -0.00003 0.00008 0.00008 -0.00034 0.00002 83 3PY 0.00001 -0.00159 -0.00005 -0.00441 0.00020 84 3PZ -0.00001 -0.00010 -0.00002 -0.00022 0.00003 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00001 0.00001 0.00002 0.00001 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00001 0.00001 0.00003 0.00002 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00002 0.00003 0.00000 91 7 H 1S 0.00000 -0.00015 -0.00036 -0.00003 -0.00027 92 2S 0.00025 -0.00354 -0.00551 0.00008 -0.00417 93 8 H 1S 0.00000 -0.00015 -0.00035 -0.00001 -0.00022 94 2S 0.00021 -0.00335 -0.00458 0.00006 -0.00329 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00007 0.00011 0.00011 0.00006 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00009 0.00011 0.00016 0.00009 99 11 O 1S 0.00000 -0.00030 -0.00002 -0.00217 0.00000 100 2S -0.00017 0.00434 0.00030 0.03077 0.00004 101 2PX -0.00002 0.00041 0.01490 0.00210 -0.00012 102 2PY -0.00197 0.04446 0.00213 0.10603 0.00031 103 2PZ 0.00000 0.00006 -0.00012 0.00027 0.02002 104 3S -0.00088 -0.01232 -0.00012 0.00947 -0.00008 105 3PX -0.00008 0.00051 0.02641 0.00166 -0.00013 106 3PY -0.00854 0.06437 0.00163 0.05430 0.00026 107 3PZ -0.00001 0.00009 -0.00013 0.00025 0.03658 108 4XX 0.00001 -0.00071 0.00003 -0.00098 0.00000 109 4YY -0.00088 0.00807 0.00041 0.00995 0.00006 110 4ZZ 0.00001 -0.00071 -0.00001 -0.00100 0.00000 111 4XY -0.00002 0.00013 0.00414 0.00034 -0.00001 112 4XZ 0.00000 0.00000 0.00001 0.00000 0.00005 113 4YZ 0.00000 0.00001 -0.00001 0.00004 0.00481 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00005 0.00001 0.00000 135 3PX 0.00000 0.00001 0.00000 0.00002 0.00000 136 3PY 0.00000 0.00001 0.00005 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00001 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00001 -0.00004 0.00000 0.00000 150 2PX 0.00000 -0.00006 -0.00004 -0.00001 0.00003 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 153 3S -0.00001 -0.00007 -0.00096 -0.00010 -0.00010 154 3PX 0.00005 -0.00133 0.00045 -0.00015 0.00039 155 3PY 0.00000 -0.00001 0.00009 -0.00018 0.00001 156 3PZ 0.00001 -0.00013 -0.00021 0.00000 -0.00028 157 4XX 0.00000 0.00000 0.00002 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 -0.00004 -0.00015 -0.00003 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 167 2PX 0.00000 -0.00002 -0.00002 -0.00001 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 -0.00001 -0.00002 0.00000 0.00000 170 3S 0.00003 -0.00035 -0.00032 0.00009 0.00013 171 3PX 0.00002 -0.00068 -0.00062 -0.00020 -0.00005 172 3PY 0.00000 0.00003 -0.00015 0.00003 -0.00003 173 3PZ 0.00003 -0.00045 -0.00026 0.00006 0.00028 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00003 0.00013 0.00000 0.00010 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 188 3PX 0.00000 0.00004 0.00002 0.00005 -0.00001 189 3PY 0.00000 0.00000 -0.00004 -0.00002 0.00000 190 3PZ 0.00000 0.00001 0.00001 0.00001 0.00001 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00003 0.00003 -0.00001 0.00000 205 3PX 0.00000 -0.00006 -0.00010 -0.00004 -0.00011 206 3PY 0.00000 0.00002 -0.00002 -0.00002 0.00000 207 3PZ 0.00000 0.00001 0.00000 -0.00001 -0.00003 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.22281 22 3PX 0.00000 0.04523 23 3PY 0.00000 0.00000 0.03641 24 3PZ 0.00000 0.00000 0.00000 0.05664 25 4XX -0.00387 0.00000 0.00000 0.00000 0.00213 26 4YY -0.00446 0.00000 0.00000 0.00000 -0.00039 27 4ZZ -0.00464 0.00000 0.00000 0.00000 0.00035 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00058 0.00065 0.00062 0.00030 -0.00004 32 2S 0.00279 0.00075 0.00115 -0.00063 0.00067 33 2PX 0.01557 -0.00001 0.00453 0.00420 -0.00076 34 2PY 0.00700 0.00169 0.00223 0.00051 0.00102 35 2PZ 0.00783 0.00320 0.00221 0.00129 0.00099 36 3S -0.02514 -0.00710 -0.00869 -0.00119 0.00359 37 3PX 0.00810 0.00110 0.00095 0.00430 -0.00083 38 3PY 0.00521 0.00191 0.00057 0.00011 0.00035 39 3PZ 0.00088 -0.00014 -0.00063 0.00042 0.00175 40 4XX 0.00136 -0.00037 0.00026 0.00060 0.00001 41 4YY -0.00070 0.00017 0.00014 -0.00005 -0.00008 42 4ZZ -0.00003 0.00037 -0.00037 -0.00034 0.00001 43 4XY 0.00030 0.00001 -0.00008 0.00011 -0.00002 44 4XZ 0.00032 0.00001 0.00010 0.00002 -0.00002 45 4YZ 0.00023 0.00014 -0.00006 0.00002 -0.00004 46 4 C 1S -0.00002 0.00000 -0.00016 0.00001 0.00000 47 2S -0.00046 -0.00023 0.00144 -0.00027 0.00000 48 2PX -0.00002 -0.00003 0.00054 -0.00018 0.00000 49 2PY -0.00272 -0.00035 0.00138 -0.00004 -0.00001 50 2PZ -0.00059 -0.00043 0.00024 0.00013 0.00000 51 3S 0.00207 -0.00061 0.00706 -0.00167 -0.00010 52 3PX 0.00114 0.00017 0.00099 -0.00071 -0.00008 53 3PY -0.00416 0.00116 0.00214 0.00039 -0.00040 54 3PZ -0.00097 -0.00067 0.00072 0.00073 0.00005 55 4XX 0.00002 -0.00001 -0.00002 0.00001 0.00000 56 4YY -0.00004 0.00000 0.00004 0.00000 0.00000 57 4ZZ 0.00006 0.00003 -0.00009 0.00001 0.00000 58 4XY 0.00006 0.00000 0.00005 0.00002 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00005 0.00003 0.00002 0.00000 0.00000 61 5 C 1S 0.00002 0.00000 0.00008 0.00000 0.00000 62 2S -0.00039 0.00000 -0.00106 0.00000 0.00000 63 2PX -0.00001 -0.00009 -0.00002 0.00000 0.00000 64 2PY -0.00074 0.00000 0.00060 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 -0.00006 0.00000 66 3S -0.00296 0.00000 -0.00439 0.00000 0.00001 67 3PX 0.00000 0.00023 0.00000 0.00000 0.00000 68 3PY -0.00436 0.00000 -0.00066 0.00000 0.00002 69 3PZ 0.00000 0.00000 0.00000 0.00022 0.00000 70 4XX 0.00001 0.00000 0.00002 0.00000 0.00000 71 4YY -0.00002 0.00000 0.00008 0.00000 0.00000 72 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 73 4XY 0.00000 -0.00003 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 76 6 C 1S 0.00001 0.00002 -0.00014 0.00001 0.00000 77 2S -0.00091 -0.00043 0.00155 -0.00021 0.00000 78 2PX -0.00097 0.00016 -0.00063 -0.00025 0.00000 79 2PY -0.00267 -0.00077 0.00286 -0.00041 -0.00001 80 2PZ -0.00058 -0.00024 -0.00003 0.00016 0.00001 81 3S -0.00132 -0.00152 0.00284 0.00002 -0.00010 82 3PX -0.00135 0.00069 -0.00087 -0.00051 -0.00008 83 3PY -0.00498 0.00000 0.00213 0.00096 -0.00011 84 3PZ -0.00050 -0.00061 0.00032 0.00017 0.00013 85 4XX 0.00003 0.00001 -0.00010 0.00001 0.00000 86 4YY 0.00005 0.00000 0.00011 0.00002 0.00000 87 4ZZ 0.00004 0.00002 -0.00006 0.00000 0.00000 88 4XY 0.00011 0.00000 0.00009 0.00003 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00009 0.00003 0.00009 0.00000 0.00000 91 7 H 1S -0.00271 -0.00011 -0.00069 -0.00068 0.00004 92 2S -0.01163 0.00014 -0.00162 -0.00205 0.00051 93 8 H 1S -0.00211 -0.00090 -0.00035 -0.00039 0.00001 94 2S -0.00702 -0.00235 -0.00065 -0.00008 0.00004 95 9 H 1S 0.00007 0.00005 -0.00002 0.00002 0.00000 96 2S 0.00088 0.00051 -0.00035 0.00026 0.00000 97 10 H 1S 0.00009 0.00005 0.00003 0.00004 0.00000 98 2S 0.00133 0.00050 0.00044 0.00044 0.00000 99 11 O 1S 0.00149 0.00000 0.00018 0.00000 0.00001 100 2S -0.02265 -0.00006 -0.01337 0.00003 -0.00070 101 2PX 0.00060 0.01943 -0.00055 -0.00003 0.00013 102 2PY 0.02157 -0.00002 -0.00459 0.00006 -0.00152 103 2PZ 0.00002 -0.00004 -0.00002 0.02234 0.00000 104 3S -0.07562 -0.00029 -0.02095 -0.00006 -0.00252 105 3PX 0.00131 0.04330 -0.00094 -0.00005 -0.00010 106 3PY 0.03927 -0.00003 -0.00141 0.00008 -0.00435 107 3PZ 0.00001 -0.00005 -0.00003 0.04893 0.00000 108 4XX -0.00041 -0.00002 0.00118 0.00000 0.00007 109 4YY 0.00587 0.00005 -0.00157 0.00002 -0.00025 110 4ZZ -0.00053 0.00002 0.00117 0.00000 0.00002 111 4XY 0.00005 0.00134 -0.00001 0.00000 0.00002 112 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00160 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00002 0.00000 0.00006 0.00000 0.00000 120 3PX 0.00000 0.00003 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 -0.00012 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00002 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00001 0.00001 0.00001 0.00000 0.00000 131 2PX 0.00002 -0.00001 0.00003 0.00001 0.00000 132 2PY 0.00001 0.00002 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00021 0.00058 0.00011 0.00000 0.00000 135 3PX 0.00012 0.00018 0.00027 0.00002 -0.00001 136 3PY 0.00012 0.00032 0.00001 0.00000 0.00000 137 3PZ -0.00001 0.00003 -0.00001 0.00009 0.00000 138 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00002 -0.00001 -0.00001 0.00000 0.00000 146 15 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 147 2S 0.00007 0.00013 0.00007 0.00000 0.00000 148 16 C 1S 0.00002 0.00007 0.00000 0.00000 0.00000 149 2S -0.00044 -0.00132 -0.00007 -0.00002 0.00000 150 2PX -0.00047 -0.00015 -0.00028 0.00016 0.00004 151 2PY -0.00002 -0.00013 -0.00009 0.00001 0.00000 152 2PZ 0.00004 0.00006 0.00001 -0.00001 0.00000 153 3S -0.00144 -0.00557 -0.00022 -0.00024 0.00005 154 3PX -0.00100 0.00222 -0.00049 0.00050 0.00053 155 3PY -0.00001 0.00005 -0.00029 0.00004 0.00000 156 3PZ 0.00000 -0.00019 -0.00002 -0.00004 0.00006 157 4XX 0.00006 0.00018 0.00000 0.00002 0.00000 158 4YY 0.00000 -0.00006 0.00000 0.00000 0.00000 159 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 161 4XZ -0.00001 0.00000 0.00000 -0.00002 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S -0.00007 -0.00044 -0.00003 0.00000 0.00000 164 2S -0.00042 -0.00059 -0.00027 0.00000 -0.00005 165 18 C 1S 0.00001 0.00002 0.00000 0.00001 0.00000 166 2S -0.00019 -0.00028 -0.00006 -0.00013 0.00000 167 2PX 0.00029 0.00005 -0.00039 -0.00024 0.00000 168 2PY 0.00006 -0.00004 0.00005 -0.00002 0.00000 169 2PZ -0.00018 -0.00019 -0.00025 0.00000 0.00000 170 3S -0.00074 -0.00047 -0.00037 -0.00036 0.00005 171 3PX 0.00096 -0.00016 -0.00127 -0.00098 -0.00004 172 3PY 0.00002 -0.00027 0.00008 -0.00002 -0.00001 173 3PZ -0.00023 0.00049 -0.00063 0.00021 0.00001 174 4XX 0.00002 0.00003 0.00002 0.00002 0.00000 175 4YY 0.00000 -0.00001 0.00000 -0.00001 0.00000 176 4ZZ 0.00000 -0.00002 -0.00001 -0.00001 0.00000 177 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 178 4XZ 0.00000 0.00001 0.00000 0.00001 0.00000 179 4YZ -0.00001 -0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.00006 0.00000 0.00000 -0.00009 0.00000 181 2S 0.00066 0.00059 0.00000 0.00023 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00001 0.00001 0.00000 0.00000 184 2PX 0.00001 0.00000 -0.00002 -0.00001 0.00000 185 2PY 0.00001 -0.00002 0.00000 0.00000 0.00000 186 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 187 3S 0.00015 -0.00016 0.00005 -0.00001 0.00000 188 3PX 0.00009 0.00000 -0.00012 -0.00006 0.00000 189 3PY 0.00002 -0.00027 -0.00007 -0.00003 0.00000 190 3PZ 0.00000 -0.00002 0.00000 0.00001 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00001 0.00001 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00001 0.00002 0.00005 -0.00001 0.00000 201 2PX 0.00000 -0.00004 -0.00016 -0.00008 0.00000 202 2PY -0.00004 -0.00002 0.00003 0.00000 0.00000 203 2PZ 0.00003 0.00003 -0.00003 -0.00002 0.00000 204 3S 0.00008 0.00013 0.00035 0.00011 0.00000 205 3PX 0.00004 -0.00021 -0.00097 -0.00055 -0.00002 206 3PY -0.00029 -0.00019 0.00010 0.00009 -0.00001 207 3PZ 0.00021 0.00003 -0.00020 -0.00007 -0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00001 -0.00003 -0.00004 0.00000 0.00000 26 27 28 29 30 26 4YY 0.00227 27 4ZZ -0.00026 0.00184 28 4XY 0.00000 0.00000 0.00384 29 4XZ 0.00000 0.00000 0.00000 0.00057 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00338 31 3 C 1S 0.00001 -0.00001 -0.00008 -0.00005 -0.00005 32 2S -0.00034 0.00004 0.00119 0.00076 0.00074 33 2PX -0.00030 0.00018 0.00089 0.00033 0.00170 34 2PY -0.00029 0.00025 0.00007 0.00070 0.00005 35 2PZ -0.00032 -0.00028 0.00143 -0.00010 0.00003 36 3S -0.00208 0.00074 0.00162 0.00045 0.00084 37 3PX -0.00019 0.00097 0.00004 0.00001 0.00058 38 3PY -0.00038 -0.00015 0.00006 0.00009 0.00006 39 3PZ -0.00074 -0.00047 0.00051 0.00006 0.00003 40 4XX -0.00004 -0.00004 0.00001 -0.00001 -0.00007 41 4YY 0.00002 -0.00003 -0.00001 -0.00004 0.00000 42 4ZZ -0.00002 0.00001 -0.00007 0.00001 0.00000 43 4XY 0.00000 -0.00006 0.00002 0.00001 0.00000 44 4XZ -0.00004 0.00001 -0.00001 0.00003 0.00002 45 4YZ 0.00000 -0.00001 0.00001 -0.00001 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00001 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00001 0.00000 0.00000 0.00000 0.00001 49 2PY 0.00007 0.00000 0.00001 0.00000 0.00001 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00024 -0.00011 -0.00016 -0.00002 -0.00013 52 3PX 0.00006 0.00005 0.00000 0.00000 0.00006 53 3PY 0.00056 -0.00006 -0.00025 -0.00003 -0.00009 54 3PZ -0.00004 -0.00001 0.00000 0.00000 0.00002 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00002 0.00001 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 -0.00003 0.00000 0.00000 68 3PY 0.00008 0.00001 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00002 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00001 -0.00001 0.00000 0.00002 79 2PY 0.00009 -0.00001 0.00001 0.00000 0.00001 80 2PZ 0.00000 0.00000 0.00002 0.00000 -0.00001 81 3S 0.00021 -0.00014 -0.00014 -0.00002 -0.00011 82 3PX -0.00003 0.00012 0.00002 0.00000 0.00011 83 3PY 0.00034 -0.00016 -0.00021 -0.00002 -0.00018 84 3PZ 0.00000 -0.00009 0.00013 0.00000 0.00004 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00001 0.00002 0.00000 0.00004 0.00000 92 2S -0.00025 0.00031 -0.00006 0.00014 -0.00005 93 8 H 1S 0.00000 0.00005 0.00000 0.00005 0.00000 94 2S -0.00013 0.00063 -0.00004 0.00016 -0.00003 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00000 0.00001 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00000 0.00001 0.00000 0.00000 99 11 O 1S -0.00081 0.00000 -0.00002 0.00000 0.00000 100 2S 0.00856 -0.00062 0.00023 0.00000 0.00001 101 2PX 0.00042 0.00000 0.00741 0.00000 0.00003 102 2PY 0.00233 -0.00145 0.00048 0.00001 0.00000 103 2PZ 0.00001 0.00001 0.00003 0.00007 0.00727 104 3S 0.01202 -0.00215 0.00008 0.00000 0.00000 105 3PX 0.00037 0.00001 0.00782 0.00000 0.00001 106 3PY 0.00132 -0.00435 0.00011 0.00000 0.00000 107 3PZ 0.00001 0.00000 0.00001 0.00007 0.00736 108 4XX -0.00013 0.00002 0.00001 0.00000 0.00000 109 4YY -0.00005 -0.00027 0.00005 0.00000 0.00000 110 4ZZ -0.00012 0.00007 0.00000 0.00000 0.00000 111 4XY 0.00003 0.00000 0.00064 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 113 4YZ 0.00000 0.00000 0.00000 0.00001 0.00070 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00001 -0.00004 0.00001 0.00001 0.00000 154 3PX -0.00005 -0.00017 -0.00001 0.00003 0.00001 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ -0.00001 0.00000 0.00000 -0.00001 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00002 0.00001 0.00003 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00002 0.00002 0.00001 0.00001 0.00001 171 3PX 0.00002 0.00002 0.00000 0.00008 0.00001 172 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 173 3PZ -0.00001 0.00002 0.00000 0.00001 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00001 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX 0.00001 0.00001 0.00000 0.00000 -0.00001 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05538 32 2S -0.01248 0.31357 33 2PX 0.00000 0.00000 0.36591 34 2PY 0.00000 0.00000 0.00000 0.41293 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38828 36 3S -0.04422 0.27923 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.12501 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07834 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.11439 40 4XX -0.00105 -0.00674 0.00000 0.00000 0.00000 41 4YY -0.00125 -0.00190 0.00000 0.00000 0.00000 42 4ZZ -0.00125 -0.00239 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00041 -0.00001 -0.00215 0.00000 47 2S -0.00041 0.00946 0.00011 0.03529 -0.00002 48 2PX 0.00001 -0.00006 0.00911 0.00027 0.00000 49 2PY -0.00215 0.03535 -0.00005 0.09501 0.00002 50 2PZ 0.00000 0.00002 0.00000 -0.00002 0.00566 51 3S 0.00186 -0.00382 0.00038 0.03168 -0.00005 52 3PX 0.00004 -0.00021 0.01307 0.00019 0.00000 53 3PY 0.00043 0.00829 -0.00004 0.02441 0.00007 54 3PZ 0.00000 0.00001 0.00000 -0.00005 0.00803 55 4XX 0.00000 -0.00037 0.00000 -0.00098 0.00000 56 4YY -0.00021 0.00311 0.00001 0.00260 0.00000 57 4ZZ 0.00000 -0.00041 0.00000 -0.00109 0.00000 58 4XY 0.00000 0.00001 0.00170 0.00004 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00175 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00004 -0.00003 -0.00019 -0.00001 63 2PX 0.00000 -0.00004 -0.00001 -0.00014 -0.00002 64 2PY 0.00000 -0.00012 -0.00003 -0.00036 -0.00002 65 2PZ 0.00000 -0.00003 0.00000 -0.00004 0.00000 66 3S -0.00002 -0.00045 0.00004 -0.00280 -0.00055 67 3PX 0.00000 -0.00023 0.00004 -0.00040 -0.00037 68 3PY -0.00017 0.00150 0.00043 0.00152 0.00018 69 3PZ 0.00001 -0.00027 -0.00016 -0.00004 0.00014 70 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 71 4YY 0.00000 0.00001 0.00001 0.00008 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00001 79 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 80 2PZ 0.00000 0.00000 -0.00002 -0.00001 0.00001 81 3S 0.00001 0.00003 -0.00045 -0.00007 -0.00007 82 3PX 0.00002 -0.00034 0.00006 -0.00010 -0.00023 83 3PY 0.00001 0.00004 0.00005 -0.00008 -0.00008 84 3PZ 0.00001 -0.00014 -0.00061 -0.00019 0.00015 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00010 0.00026 0.00002 0.00014 93 8 H 1S -0.00188 0.03057 0.00836 0.02179 0.06686 94 2S -0.00095 0.01169 0.00542 0.01197 0.04129 95 9 H 1S 0.00000 -0.00017 -0.00003 -0.00047 -0.00008 96 2S 0.00020 -0.00294 -0.00045 -0.00569 -0.00122 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00001 -0.00001 -0.00005 -0.00001 101 2PX 0.00000 -0.00004 -0.00003 -0.00014 -0.00006 102 2PY 0.00000 -0.00003 -0.00007 -0.00011 -0.00002 103 2PZ 0.00000 -0.00003 -0.00006 -0.00006 0.00000 104 3S 0.00002 -0.00013 0.00006 -0.00195 0.00009 105 3PX 0.00007 -0.00153 -0.00036 -0.00290 -0.00115 106 3PY 0.00004 -0.00049 -0.00074 -0.00193 -0.00014 107 3PZ 0.00003 -0.00088 -0.00133 -0.00117 -0.00004 108 4XX 0.00000 0.00000 0.00000 0.00002 0.00000 109 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 111 4XY 0.00000 0.00000 0.00001 0.00001 0.00001 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00002 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 121 3PY 0.00000 0.00001 0.00000 0.00005 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00002 -0.00012 0.00000 -0.00001 131 2PX 0.00000 -0.00007 -0.00030 -0.00001 -0.00003 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 133 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 134 3S 0.00004 -0.00092 -0.00254 -0.00008 -0.00020 135 3PX 0.00007 -0.00094 -0.00076 -0.00001 -0.00020 136 3PY 0.00000 -0.00010 -0.00037 -0.00005 0.00004 137 3PZ 0.00001 -0.00008 -0.00017 0.00014 -0.00023 138 4XX 0.00000 0.00001 0.00006 0.00000 0.00001 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00004 0.00024 0.00000 0.00003 146 15 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 147 2S 0.00000 -0.00007 -0.00056 -0.00007 0.00010 148 16 C 1S 0.00000 0.00000 -0.00001 0.00000 -0.00001 149 2S 0.00000 -0.00031 0.00093 0.00004 0.00050 150 2PX -0.00002 0.00103 0.00779 0.00071 0.00401 151 2PY 0.00000 0.00005 0.00057 -0.00010 0.00019 152 2PZ -0.00001 0.00043 0.00361 0.00027 0.00121 153 3S 0.00021 -0.00112 0.00267 -0.00024 0.00279 154 3PX 0.00002 0.00117 0.01231 0.00139 0.00896 155 3PY 0.00001 0.00041 0.00099 0.00070 0.00024 156 3PZ -0.00008 0.00071 0.00997 0.00112 0.00038 157 4XX 0.00000 0.00011 0.00021 0.00005 0.00028 158 4YY 0.00000 -0.00003 -0.00007 0.00000 -0.00002 159 4ZZ 0.00000 0.00001 0.00008 0.00001 -0.00005 160 4XY 0.00000 0.00002 0.00006 0.00002 0.00004 161 4XZ 0.00000 0.00014 0.00036 0.00006 0.00006 162 4YZ 0.00000 0.00001 0.00004 0.00000 0.00001 163 17 H 1S 0.00000 -0.00001 -0.00005 -0.00003 -0.00001 164 2S 0.00004 -0.00062 -0.00144 -0.00125 -0.00057 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 -0.00001 -0.00001 0.00000 -0.00006 167 2PX 0.00000 -0.00002 0.00000 0.00000 -0.00001 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 -0.00005 -0.00004 0.00000 -0.00014 170 3S 0.00001 -0.00017 0.00047 0.00000 0.00011 171 3PX 0.00004 -0.00078 -0.00011 0.00000 -0.00069 172 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 173 3PZ 0.00005 -0.00099 -0.00014 0.00000 -0.00109 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00001 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00001 0.00000 0.00002 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00001 0.00001 0.00001 0.00007 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 -0.00003 -0.00001 -0.00001 184 2PX 0.00000 -0.00001 -0.00002 -0.00006 -0.00001 185 2PY 0.00000 -0.00001 -0.00005 -0.00003 -0.00002 186 2PZ 0.00000 -0.00001 -0.00003 -0.00002 -0.00001 187 3S 0.00000 -0.00005 -0.00085 0.00004 -0.00030 188 3PX 0.00000 -0.00022 -0.00065 -0.00101 -0.00047 189 3PY -0.00001 -0.00006 -0.00023 0.00044 0.00025 190 3PZ 0.00002 -0.00032 -0.00104 -0.00077 -0.00004 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 195 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00002 0.00002 0.00011 0.00001 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00003 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00002 204 3S 0.00000 -0.00006 -0.00017 -0.00013 -0.00037 205 3PX 0.00001 -0.00031 -0.00024 0.00016 -0.00133 206 3PY 0.00000 -0.00003 -0.00012 -0.00001 -0.00044 207 3PZ 0.00002 -0.00043 -0.00088 -0.00009 -0.00124 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 36 37 38 39 40 36 3S 0.57189 37 3PX 0.00000 0.14706 38 3PY 0.00000 0.00000 0.07699 39 3PZ 0.00000 0.00000 0.00000 0.12062 40 4XX -0.00462 0.00000 0.00000 0.00000 0.00099 41 4YY -0.00451 0.00000 0.00000 0.00000 -0.00006 42 4ZZ -0.00150 0.00000 0.00000 0.00000 0.00003 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00182 -0.00004 0.00045 0.00000 0.00000 47 2S -0.00361 0.00021 0.00816 -0.00001 -0.00038 48 2PX -0.00035 0.01323 0.00016 0.00000 0.00000 49 2PY 0.03234 -0.00010 0.02459 0.00005 -0.00101 50 2PZ 0.00006 0.00000 -0.00008 0.00825 0.00000 51 3S -0.10088 0.00076 -0.03213 -0.00002 -0.00096 52 3PX -0.00084 0.02054 0.00021 0.00000 0.00001 53 3PY -0.03097 -0.00014 0.00358 0.00011 -0.00122 54 3PZ 0.00002 0.00000 -0.00012 0.01292 0.00000 55 4XX -0.00094 -0.00001 -0.00112 0.00000 0.00002 56 4YY 0.00438 0.00002 0.00161 0.00000 -0.00004 57 4ZZ -0.00117 -0.00001 -0.00120 0.00000 0.00000 58 4XY 0.00001 0.00120 0.00001 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00101 0.00000 61 5 C 1S -0.00004 0.00000 0.00003 -0.00001 0.00000 62 2S -0.00017 -0.00048 -0.00170 0.00008 0.00000 63 2PX -0.00046 0.00005 -0.00069 -0.00011 0.00000 64 2PY -0.00303 -0.00016 -0.00438 -0.00002 0.00000 65 2PZ -0.00064 -0.00025 -0.00023 0.00019 0.00000 66 3S 0.00216 0.00104 -0.00412 -0.00089 0.00001 67 3PX -0.00064 0.00034 0.00090 -0.00058 -0.00001 68 3PY 0.00738 0.00080 0.00263 0.00061 -0.00003 69 3PZ -0.00167 -0.00063 0.00036 0.00077 0.00001 70 4XX -0.00007 -0.00006 -0.00036 0.00005 0.00000 71 4YY 0.00021 0.00004 0.00054 -0.00004 0.00000 72 4ZZ -0.00011 0.00005 -0.00006 -0.00001 0.00000 73 4XY -0.00015 0.00000 -0.00027 0.00001 0.00000 74 4XZ -0.00001 0.00000 -0.00003 0.00000 0.00000 75 4YZ -0.00014 0.00005 -0.00010 0.00003 0.00000 76 6 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 77 2S 0.00028 -0.00040 0.00007 0.00006 0.00000 78 2PX 0.00013 0.00008 0.00016 0.00029 0.00000 79 2PY -0.00020 -0.00019 -0.00011 -0.00020 0.00000 80 2PZ 0.00001 -0.00034 -0.00008 0.00007 0.00000 81 3S 0.00573 -0.00199 0.00318 0.00007 -0.00002 82 3PX -0.00092 0.00024 0.00036 0.00062 -0.00002 83 3PY 0.00241 0.00005 0.00011 -0.00026 -0.00002 84 3PZ -0.00097 -0.00143 -0.00055 0.00002 0.00003 85 4XX 0.00001 0.00000 -0.00002 0.00002 0.00000 86 4YY -0.00001 -0.00004 0.00000 0.00000 0.00000 87 4ZZ -0.00001 0.00001 0.00000 -0.00001 0.00000 88 4XY -0.00005 -0.00004 0.00001 -0.00002 0.00000 89 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 90 4YZ -0.00003 -0.00003 0.00001 -0.00001 0.00000 91 7 H 1S 0.00008 0.00014 0.00001 0.00007 0.00000 92 2S 0.00248 0.00265 0.00007 0.00124 0.00000 93 8 H 1S 0.03954 0.00467 0.00890 0.04049 -0.00084 94 2S -0.00354 0.00446 0.00794 0.04017 -0.00112 95 9 H 1S -0.00306 -0.00018 -0.00278 -0.00087 0.00000 96 2S -0.00487 -0.00095 -0.00448 -0.00326 0.00017 97 10 H 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 98 2S -0.00042 -0.00015 -0.00006 -0.00018 0.00000 99 11 O 1S 0.00001 -0.00003 0.00001 -0.00002 0.00000 100 2S -0.00074 0.00024 0.00024 0.00005 0.00000 101 2PX -0.00460 -0.00024 0.00147 -0.00143 0.00000 102 2PY -0.00272 -0.00196 0.00075 -0.00118 0.00000 103 2PZ -0.00178 -0.00098 0.00073 -0.00019 0.00000 104 3S -0.00041 0.00231 -0.00223 0.00112 0.00001 105 3PX -0.02195 -0.00007 0.00368 -0.00499 -0.00007 106 3PY -0.00869 -0.00475 0.00087 -0.00268 -0.00002 107 3PZ -0.00861 -0.00394 0.00217 -0.00127 0.00008 108 4XX 0.00005 -0.00001 0.00006 0.00003 0.00000 109 4YY -0.00039 -0.00027 0.00020 -0.00016 0.00000 110 4ZZ 0.00011 0.00005 -0.00006 0.00000 0.00000 111 4XY -0.00027 0.00000 0.00019 -0.00007 0.00000 112 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 113 4YZ -0.00008 0.00001 0.00007 -0.00003 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00001 0.00000 0.00003 0.00000 0.00000 116 2PX 0.00003 0.00000 0.00011 0.00000 0.00000 117 2PY 0.00005 0.00000 0.00014 0.00000 0.00000 118 2PZ 0.00002 -0.00001 0.00004 0.00000 0.00000 119 3S 0.00012 -0.00001 0.00030 0.00002 0.00000 120 3PX 0.00043 -0.00001 0.00120 0.00000 0.00000 121 3PY 0.00063 0.00001 0.00125 0.00002 0.00000 122 3PZ 0.00029 -0.00006 0.00046 -0.00005 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 129 13 C 1S 0.00004 0.00012 0.00000 0.00001 0.00000 130 2S -0.00096 -0.00210 0.00013 -0.00030 0.00001 131 2PX -0.00203 -0.00338 0.00030 -0.00070 0.00004 132 2PY 0.00023 0.00044 -0.00029 0.00001 0.00001 133 2PZ -0.00022 0.00010 0.00007 -0.00005 0.00000 134 3S -0.00545 -0.00794 0.00043 -0.00133 0.00012 135 3PX -0.00442 -0.00136 0.00029 -0.00097 0.00031 136 3PY -0.00011 0.00023 -0.00061 -0.00010 0.00005 137 3PZ -0.00073 -0.00036 0.00030 -0.00044 0.00002 138 4XX 0.00021 0.00066 -0.00006 0.00012 0.00000 139 4YY -0.00002 -0.00022 0.00000 -0.00002 0.00000 140 4ZZ -0.00004 -0.00012 0.00001 -0.00001 0.00000 141 4XY 0.00002 0.00011 -0.00002 0.00002 0.00000 142 4XZ 0.00003 0.00008 0.00000 -0.00003 0.00000 143 4YZ 0.00000 0.00002 0.00000 0.00000 0.00000 144 14 H 1S 0.00003 0.00011 -0.00001 0.00002 0.00000 145 2S 0.00080 0.00247 -0.00012 0.00043 -0.00001 146 15 H 1S -0.00052 -0.00048 0.00014 0.00010 0.00000 147 2S -0.00158 -0.00052 0.00012 0.00039 0.00001 148 16 C 1S 0.00020 0.00013 -0.00001 -0.00015 0.00000 149 2S 0.00061 0.00018 -0.00060 0.00288 0.00011 150 2PX 0.00466 0.01259 0.00092 0.01175 -0.00003 151 2PY 0.00079 0.00166 0.00137 0.00039 0.00004 152 2PZ 0.00119 0.01073 0.00056 0.00042 0.00023 153 3S 0.00093 -0.00170 -0.00096 0.00694 0.00046 154 3PX -0.00097 0.01136 0.00176 0.01473 0.00012 155 3PY -0.00023 0.00116 0.00212 0.00024 0.00004 156 3PZ 0.00319 0.01701 0.00060 -0.00241 0.00056 157 4XX 0.00070 0.00085 0.00008 0.00074 0.00000 158 4YY -0.00052 -0.00068 0.00001 -0.00028 0.00000 159 4ZZ 0.00010 0.00039 0.00001 -0.00011 -0.00001 160 4XY 0.00002 0.00004 0.00002 0.00006 0.00000 161 4XZ 0.00037 0.00038 0.00009 0.00003 -0.00001 162 4YZ 0.00001 0.00007 0.00003 0.00000 0.00000 163 17 H 1S -0.00081 -0.00172 0.00048 -0.00023 0.00000 164 2S -0.00816 -0.00631 0.00102 -0.00240 -0.00004 165 18 C 1S 0.00001 0.00003 0.00000 0.00005 0.00000 166 2S -0.00011 -0.00067 0.00000 -0.00086 0.00000 167 2PX -0.00098 -0.00010 0.00000 -0.00049 0.00000 168 2PY 0.00000 0.00000 -0.00011 0.00000 0.00000 169 2PZ -0.00080 -0.00183 0.00000 -0.00061 0.00000 170 3S 0.00245 0.00223 0.00000 0.00244 0.00000 171 3PX -0.00493 0.00029 0.00001 -0.00261 0.00003 172 3PY 0.00000 0.00000 0.00039 -0.00001 0.00000 173 3PZ -0.00234 -0.00182 0.00001 -0.00135 -0.00001 174 4XX 0.00000 -0.00002 0.00000 -0.00008 0.00000 175 4YY -0.00003 -0.00003 0.00000 -0.00008 0.00000 176 4ZZ 0.00005 0.00014 0.00000 0.00019 0.00000 177 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 178 4XZ 0.00003 0.00003 0.00000 0.00017 0.00000 179 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 180 19 H 1S -0.00001 0.00003 0.00000 -0.00005 0.00000 181 2S 0.00000 0.00026 -0.00001 -0.00019 0.00000 182 20 C 1S 0.00001 0.00003 0.00000 0.00004 0.00000 183 2S -0.00079 -0.00107 -0.00057 -0.00081 0.00000 184 2PX -0.00012 -0.00039 -0.00066 -0.00029 0.00000 185 2PY -0.00113 -0.00113 -0.00085 -0.00043 0.00000 186 2PZ 0.00010 -0.00102 -0.00033 -0.00001 0.00000 187 3S -0.00217 -0.00422 -0.00035 -0.00264 0.00002 188 3PX 0.00133 -0.00162 -0.00066 -0.00158 -0.00002 189 3PY -0.00101 -0.00136 0.00035 0.00014 0.00002 190 3PZ -0.00061 -0.00419 -0.00197 0.00036 -0.00003 191 4XX 0.00003 0.00004 -0.00009 0.00005 0.00000 192 4YY 0.00003 -0.00007 0.00009 -0.00003 0.00000 193 4ZZ 0.00001 0.00010 -0.00004 0.00003 0.00000 194 4XY 0.00002 0.00003 0.00004 0.00002 0.00000 195 4XZ 0.00004 0.00007 -0.00004 0.00001 0.00000 196 4YZ -0.00001 -0.00001 0.00000 0.00000 0.00000 197 21 H 1S 0.00003 0.00000 0.00008 0.00000 0.00000 198 2S 0.00071 0.00023 0.00153 0.00009 0.00000 199 22 C 1S 0.00001 0.00000 0.00000 0.00001 0.00000 200 2S -0.00018 0.00001 -0.00007 -0.00022 0.00000 201 2PX -0.00036 -0.00031 0.00031 -0.00108 0.00000 202 2PY 0.00001 -0.00008 -0.00003 0.00002 0.00000 203 2PZ -0.00068 -0.00060 0.00018 -0.00108 0.00000 204 3S -0.00187 -0.00097 -0.00148 -0.00196 -0.00001 205 3PX -0.00229 0.00012 0.00137 -0.00504 0.00000 206 3PY -0.00047 -0.00075 -0.00007 -0.00126 -0.00001 207 3PZ -0.00408 -0.00389 0.00014 -0.00420 -0.00002 208 4XX 0.00001 0.00001 0.00001 0.00002 0.00000 209 4YY 0.00001 -0.00001 0.00001 0.00000 0.00000 210 4ZZ -0.00002 -0.00002 -0.00002 -0.00003 0.00000 211 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00001 0.00000 0.00000 0.00002 0.00000 213 4YZ -0.00001 -0.00002 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00001 -0.00012 0.00000 -0.00014 0.00000 41 42 43 44 45 41 4YY 0.00103 42 4ZZ -0.00010 0.00101 43 4XY 0.00000 0.00000 0.00089 44 4XZ 0.00000 0.00000 0.00000 0.00065 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00115 46 4 C 1S -0.00022 0.00000 0.00000 0.00000 0.00000 47 2S 0.00314 -0.00041 -0.00001 0.00000 0.00000 48 2PX 0.00001 0.00000 0.00174 0.00000 0.00000 49 2PY 0.00270 -0.00110 -0.00002 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00176 51 3S 0.00443 -0.00120 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00001 0.00126 0.00000 0.00000 53 3PY 0.00168 -0.00121 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00103 55 4XX -0.00004 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 57 4ZZ -0.00003 0.00002 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00010 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00022 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00001 0.00000 0.00001 63 2PX 0.00001 0.00000 0.00000 0.00000 0.00001 64 2PY 0.00001 0.00000 0.00002 0.00000 0.00001 65 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 66 3S -0.00002 0.00006 0.00005 0.00000 0.00005 67 3PX 0.00000 0.00003 0.00000 0.00000 0.00002 68 3PY 0.00005 -0.00009 0.00005 0.00000 0.00002 69 3PZ 0.00000 0.00001 0.00002 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.00001 0.00000 -0.00003 -0.00001 -0.00002 82 3PX -0.00001 0.00002 -0.00002 0.00001 -0.00002 83 3PY 0.00001 0.00001 0.00002 -0.00002 0.00001 84 3PZ 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 93 8 H 1S -0.00087 0.00313 0.00034 0.00067 0.00265 94 2S -0.00128 0.00332 0.00008 0.00009 0.00053 95 9 H 1S 0.00002 0.00000 0.00001 0.00000 0.00006 96 2S -0.00013 0.00008 0.00005 0.00000 0.00029 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00001 0.00000 0.00001 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00009 -0.00001 -0.00002 0.00001 0.00000 105 3PX 0.00030 0.00004 -0.00001 0.00001 0.00003 106 3PY 0.00030 -0.00006 0.00014 -0.00004 0.00006 107 3PZ 0.00008 -0.00002 0.00004 0.00001 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 -0.00001 -0.00001 -0.00001 0.00000 135 3PX -0.00003 -0.00006 0.00001 0.00000 0.00000 136 3PY 0.00000 -0.00002 -0.00002 0.00000 0.00000 137 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00001 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00001 0.00000 0.00003 0.00013 0.00002 150 2PX -0.00004 0.00015 0.00008 0.00029 0.00004 151 2PY 0.00000 0.00002 0.00001 0.00004 0.00000 152 2PZ -0.00001 -0.00002 0.00005 0.00007 0.00002 153 3S -0.00012 -0.00009 0.00007 0.00032 0.00005 154 3PX -0.00022 0.00048 0.00008 0.00027 0.00007 155 3PY -0.00002 0.00001 0.00003 0.00005 0.00003 156 3PZ -0.00020 0.00006 0.00011 0.00003 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00011 -0.00006 0.00003 -0.00002 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 170 3S -0.00002 0.00007 0.00000 0.00001 0.00000 171 3PX -0.00003 0.00010 0.00000 0.00003 0.00000 172 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00003 173 3PZ -0.00007 0.00021 0.00000 0.00008 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00001 0.00000 0.00001 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 187 3S 0.00001 0.00000 0.00001 0.00000 0.00002 188 3PX -0.00002 -0.00001 0.00012 -0.00003 0.00008 189 3PY 0.00002 -0.00003 0.00002 0.00002 0.00000 190 3PZ -0.00001 0.00000 0.00009 -0.00001 0.00001 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00001 0.00001 0.00000 -0.00002 0.00000 205 3PX -0.00001 0.00003 0.00000 0.00000 0.00001 206 3PY 0.00001 0.00000 0.00000 -0.00001 0.00001 207 3PZ -0.00001 0.00004 0.00000 -0.00001 0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05541 47 2S -0.01255 0.31422 48 2PX 0.00000 0.00000 0.36522 49 2PY 0.00000 0.00000 0.00000 0.41329 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.38868 51 3S -0.04397 0.27863 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.12638 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07759 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.11487 55 4XX -0.00104 -0.00694 0.00000 0.00000 0.00000 56 4YY -0.00126 -0.00185 0.00000 0.00000 0.00000 57 4ZZ -0.00125 -0.00245 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00030 -0.00082 -0.00047 -0.00048 62 2S -0.00030 0.00774 0.01541 0.00929 0.00915 63 2PX -0.00081 0.01448 0.00878 0.01512 0.01872 64 2PY -0.00044 0.00689 0.01494 0.00159 0.00812 65 2PZ -0.00044 0.00769 0.01966 0.00782 0.00064 66 3S 0.00057 0.00298 0.01400 0.00837 0.00784 67 3PX 0.00055 0.00064 0.00007 0.00190 0.00288 68 3PY 0.00071 0.00133 0.00487 0.00163 0.00257 69 3PZ 0.00030 -0.00061 0.00408 0.00068 0.00144 70 4XX -0.00003 0.00044 -0.00078 0.00091 0.00073 71 4YY 0.00001 -0.00024 -0.00006 -0.00043 -0.00020 72 4ZZ -0.00001 0.00005 0.00016 0.00028 -0.00029 73 4XY -0.00009 0.00131 0.00073 0.00023 0.00161 74 4XZ -0.00005 0.00067 0.00015 0.00073 -0.00010 75 4YZ -0.00006 0.00086 0.00180 0.00014 0.00003 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00006 -0.00018 0.00000 -0.00009 78 2PX 0.00000 -0.00015 -0.00029 0.00000 -0.00025 79 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 80 2PZ 0.00000 -0.00011 -0.00028 0.00000 -0.00011 81 3S 0.00008 -0.00239 -0.00398 -0.00001 -0.00262 82 3PX 0.00007 -0.00182 -0.00169 -0.00001 -0.00276 83 3PY 0.00000 0.00001 0.00003 -0.00043 0.00001 84 3PZ 0.00005 -0.00119 -0.00225 0.00000 -0.00057 85 4XX 0.00000 0.00001 0.00001 0.00000 0.00002 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00003 0.00000 0.00001 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 93 8 H 1S 0.00000 -0.00017 -0.00002 -0.00048 -0.00008 94 2S 0.00020 -0.00292 -0.00027 -0.00586 -0.00119 95 9 H 1S -0.00190 0.03081 0.01066 0.01988 0.06669 96 2S -0.00097 0.01187 0.00678 0.01082 0.04110 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00010 0.00025 0.00003 0.00014 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00002 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 106 3PY 0.00000 0.00001 0.00000 0.00004 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00001 -0.00001 -0.00006 -0.00001 116 2PX 0.00000 -0.00004 -0.00002 -0.00013 -0.00005 117 2PY 0.00000 -0.00004 -0.00007 -0.00014 -0.00003 118 2PZ 0.00000 -0.00003 -0.00005 -0.00007 0.00000 119 3S 0.00002 -0.00013 0.00013 -0.00203 0.00009 120 3PX 0.00006 -0.00135 -0.00014 -0.00265 -0.00103 121 3PY 0.00005 -0.00067 -0.00065 -0.00246 -0.00027 122 3PZ 0.00003 -0.00089 -0.00117 -0.00135 -0.00005 123 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 124 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 126 4XY 0.00000 0.00000 0.00001 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00002 -0.00011 -0.00001 -0.00001 131 2PX 0.00000 -0.00007 -0.00028 -0.00001 -0.00003 132 2PY 0.00000 -0.00001 -0.00001 0.00000 0.00001 133 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 134 3S 0.00004 -0.00089 -0.00243 -0.00014 -0.00021 135 3PX 0.00006 -0.00085 -0.00052 -0.00004 -0.00022 136 3PY 0.00001 -0.00013 -0.00042 -0.00003 0.00005 137 3PZ 0.00001 -0.00008 -0.00021 0.00017 -0.00023 138 4XX 0.00000 0.00001 0.00005 0.00000 0.00001 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00003 0.00023 0.00000 0.00003 146 15 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 147 2S 0.00000 -0.00006 -0.00052 -0.00009 0.00009 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00003 -0.00002 -0.00002 150 2PX 0.00000 -0.00001 -0.00001 -0.00007 -0.00001 151 2PY 0.00000 -0.00002 -0.00005 -0.00005 -0.00002 152 2PZ 0.00000 -0.00001 -0.00003 -0.00003 -0.00001 153 3S 0.00000 -0.00007 -0.00091 0.00001 -0.00035 154 3PX 0.00000 -0.00022 -0.00048 -0.00110 -0.00048 155 3PY -0.00001 -0.00008 -0.00033 0.00051 0.00027 156 3PZ 0.00002 -0.00035 -0.00100 -0.00093 -0.00005 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 161 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00002 0.00001 0.00013 0.00001 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00003 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00003 170 3S 0.00000 -0.00007 -0.00016 -0.00016 -0.00040 171 3PX 0.00001 -0.00029 -0.00015 0.00013 -0.00127 172 3PY 0.00000 -0.00006 -0.00018 -0.00002 -0.00061 173 3PZ 0.00002 -0.00044 -0.00085 -0.00017 -0.00131 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 182 20 C 1S 0.00000 0.00000 -0.00001 0.00000 -0.00001 183 2S 0.00000 -0.00028 0.00072 0.00001 0.00039 184 2PX -0.00001 0.00082 0.00735 0.00040 0.00361 185 2PY 0.00000 0.00002 0.00029 -0.00008 0.00008 186 2PZ 0.00000 0.00033 0.00322 0.00014 0.00108 187 3S 0.00019 -0.00108 0.00219 -0.00019 0.00244 188 3PX 0.00003 0.00092 0.01316 0.00081 0.00890 189 3PY 0.00001 0.00027 0.00041 0.00076 0.00004 190 3PZ -0.00007 0.00059 0.01001 0.00072 0.00048 191 4XX 0.00000 0.00009 0.00021 0.00003 0.00025 192 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00002 193 4ZZ 0.00000 0.00001 0.00007 0.00001 -0.00004 194 4XY 0.00000 0.00001 0.00003 0.00002 0.00002 195 4XZ 0.00000 0.00012 0.00034 0.00003 0.00006 196 4YZ 0.00000 0.00000 0.00002 0.00001 0.00001 197 21 H 1S 0.00000 -0.00001 -0.00005 -0.00002 -0.00001 198 2S 0.00004 -0.00056 -0.00150 -0.00098 -0.00054 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 -0.00001 -0.00001 0.00000 -0.00005 201 2PX 0.00000 -0.00002 0.00000 0.00000 -0.00001 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 -0.00004 -0.00004 0.00000 -0.00013 204 3S 0.00000 -0.00013 0.00050 -0.00001 0.00024 205 3PX 0.00004 -0.00075 -0.00013 0.00002 -0.00062 206 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00006 207 3PZ 0.00004 -0.00089 -0.00011 0.00000 -0.00090 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00001 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00001 0.00000 0.00002 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00001 0.00001 0.00000 0.00007 51 52 53 54 55 51 3S 0.56827 52 3PX 0.00000 0.15101 53 3PY 0.00000 0.00000 0.07520 54 3PZ 0.00000 0.00000 0.00000 0.12206 55 4XX -0.00490 0.00000 0.00000 0.00000 0.00093 56 4YY -0.00439 0.00000 0.00000 0.00000 -0.00005 57 4ZZ -0.00153 0.00000 0.00000 0.00000 0.00005 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00101 -0.00019 -0.00101 0.00016 -0.00003 62 2S 0.00003 0.00716 0.00797 0.00245 0.00064 63 2PX 0.02234 -0.00053 0.00982 0.00901 -0.00034 64 2PY 0.01517 0.00989 0.00067 0.00654 0.00056 65 2PZ 0.01295 0.01400 0.00485 -0.00227 0.00044 66 3S -0.02501 0.00695 0.00614 0.00079 0.00115 67 3PX -0.00589 0.00170 0.00198 0.00004 -0.00038 68 3PY -0.01005 0.00094 0.00025 -0.00078 0.00019 69 3PZ -0.00127 0.00427 0.00023 0.00077 0.00053 70 4XX 0.00273 -0.00095 0.00033 0.00152 0.00001 71 4YY -0.00137 0.00007 -0.00044 -0.00053 -0.00004 72 4ZZ 0.00073 0.00096 -0.00012 -0.00049 -0.00003 73 4XY 0.00177 0.00000 0.00002 0.00058 0.00001 74 4XZ 0.00035 0.00000 0.00010 0.00005 -0.00001 75 4YZ 0.00096 0.00063 0.00003 0.00004 -0.00007 76 6 C 1S 0.00012 0.00015 0.00000 0.00007 0.00000 77 2S -0.00282 -0.00322 0.00000 -0.00123 0.00000 78 2PX -0.00464 -0.00332 -0.00002 -0.00189 0.00001 79 2PY 0.00001 0.00001 -0.00027 0.00000 0.00000 80 2PZ -0.00289 -0.00295 -0.00001 -0.00085 0.00002 81 3S -0.02454 -0.01225 0.00001 -0.00638 0.00005 82 3PX -0.00950 -0.00334 -0.00003 -0.00347 -0.00001 83 3PY 0.00000 0.00005 -0.00283 0.00002 0.00000 84 3PZ -0.00477 -0.00420 -0.00002 -0.00062 0.00021 85 4XX 0.00011 0.00004 0.00000 0.00020 0.00000 86 4YY 0.00002 -0.00010 0.00000 -0.00003 0.00000 87 4ZZ 0.00006 0.00025 0.00000 0.00001 0.00000 88 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 89 4XZ 0.00003 0.00009 0.00000 0.00003 0.00000 90 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 92 2S -0.00042 -0.00016 -0.00005 -0.00018 0.00000 93 8 H 1S -0.00304 -0.00011 -0.00284 -0.00085 0.00000 94 2S -0.00461 -0.00063 -0.00472 -0.00326 0.00014 95 9 H 1S 0.03958 0.00576 0.00775 0.04013 -0.00079 96 2S -0.00345 0.00543 0.00687 0.03985 -0.00087 97 10 H 1S 0.00008 0.00014 0.00002 0.00007 0.00000 98 2S 0.00250 0.00258 0.00014 0.00126 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00003 0.00000 0.00000 101 2PX 0.00004 0.00000 0.00014 0.00000 0.00000 102 2PY 0.00004 0.00000 0.00011 0.00000 0.00000 103 2PZ 0.00002 -0.00001 0.00004 0.00000 0.00000 104 3S 0.00012 -0.00001 0.00029 0.00002 0.00000 105 3PX 0.00055 0.00001 0.00144 0.00001 0.00000 106 3PY 0.00051 0.00001 0.00096 0.00003 0.00000 107 3PZ 0.00028 -0.00007 0.00047 -0.00005 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00001 0.00000 0.00002 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 O 1S 0.00001 -0.00003 0.00001 -0.00002 0.00000 115 2S -0.00073 0.00022 0.00029 0.00005 0.00000 116 2PX -0.00398 -0.00006 0.00124 -0.00124 0.00000 117 2PY -0.00336 -0.00193 0.00080 -0.00142 0.00000 118 2PZ -0.00180 -0.00092 0.00069 -0.00019 0.00000 119 3S -0.00040 0.00221 -0.00203 0.00115 0.00001 120 3PX -0.01909 0.00037 0.00307 -0.00441 -0.00005 121 3PY -0.01154 -0.00469 0.00094 -0.00343 -0.00005 122 3PZ -0.00873 -0.00367 0.00197 -0.00129 0.00007 123 4XX 0.00010 -0.00001 0.00001 0.00004 0.00000 124 4YY -0.00047 -0.00026 0.00025 -0.00019 0.00000 125 4ZZ 0.00011 0.00004 -0.00006 0.00000 0.00000 126 4XY -0.00023 0.00000 0.00018 -0.00006 0.00000 127 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 128 4YZ -0.00008 0.00000 0.00009 -0.00003 0.00000 129 13 C 1S 0.00004 0.00012 0.00000 0.00001 0.00000 130 2S -0.00093 -0.00209 0.00012 -0.00030 0.00001 131 2PX -0.00190 -0.00339 0.00023 -0.00066 0.00004 132 2PY 0.00024 0.00041 -0.00021 0.00000 0.00001 133 2PZ -0.00022 0.00007 0.00009 -0.00006 0.00000 134 3S -0.00527 -0.00801 0.00036 -0.00135 0.00011 135 3PX -0.00394 -0.00125 0.00023 -0.00085 0.00027 136 3PY -0.00020 0.00026 -0.00053 -0.00013 0.00006 137 3PZ -0.00069 -0.00045 0.00036 -0.00045 0.00002 138 4XX 0.00019 0.00060 -0.00006 0.00011 0.00000 139 4YY -0.00002 -0.00019 0.00000 -0.00002 0.00000 140 4ZZ -0.00005 -0.00012 0.00001 -0.00001 0.00000 141 4XY 0.00003 0.00016 -0.00001 0.00003 0.00000 142 4XZ 0.00003 0.00007 0.00000 -0.00003 0.00000 143 4YZ 0.00000 0.00003 0.00000 -0.00001 0.00000 144 14 H 1S 0.00003 0.00010 -0.00001 0.00002 0.00000 145 2S 0.00075 0.00250 -0.00012 0.00043 -0.00001 146 15 H 1S -0.00051 -0.00052 0.00016 0.00010 0.00000 147 2S -0.00163 -0.00053 0.00012 0.00037 0.00001 148 16 C 1S 0.00002 0.00004 0.00000 0.00004 0.00000 149 2S -0.00082 -0.00105 -0.00068 -0.00087 0.00000 150 2PX -0.00007 -0.00024 -0.00061 -0.00026 0.00000 151 2PY -0.00127 -0.00113 -0.00112 -0.00050 0.00000 152 2PZ 0.00010 -0.00098 -0.00039 -0.00001 0.00000 153 3S -0.00229 -0.00444 -0.00047 -0.00299 0.00002 154 3PX 0.00113 -0.00112 -0.00071 -0.00163 -0.00004 155 3PY -0.00096 -0.00161 0.00039 0.00007 0.00001 156 3PZ -0.00075 -0.00408 -0.00225 0.00042 -0.00003 157 4XX 0.00002 0.00003 -0.00010 0.00004 0.00000 158 4YY 0.00004 -0.00007 0.00011 -0.00002 0.00000 159 4ZZ 0.00001 0.00010 -0.00004 0.00003 0.00000 160 4XY 0.00003 0.00003 0.00004 0.00002 0.00000 161 4XZ 0.00003 0.00006 -0.00004 0.00001 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00003 0.00000 0.00009 0.00000 0.00000 164 2S 0.00077 0.00019 0.00169 0.00011 0.00000 165 18 C 1S 0.00001 0.00000 0.00000 0.00001 0.00000 166 2S -0.00019 0.00001 -0.00007 -0.00023 0.00000 167 2PX -0.00032 -0.00019 0.00027 -0.00107 0.00000 168 2PY -0.00002 -0.00015 -0.00002 -0.00009 0.00000 169 2PZ -0.00068 -0.00059 0.00016 -0.00114 0.00000 170 3S -0.00204 -0.00094 -0.00160 -0.00223 -0.00001 171 3PX -0.00202 0.00066 0.00122 -0.00488 0.00000 172 3PY -0.00075 -0.00109 -0.00010 -0.00194 -0.00001 173 3PZ -0.00411 -0.00380 -0.00006 -0.00447 -0.00001 174 4XX 0.00001 0.00000 0.00001 0.00002 0.00000 175 4YY 0.00001 -0.00001 0.00001 0.00000 0.00000 176 4ZZ -0.00002 -0.00002 -0.00003 -0.00003 0.00000 177 4XY -0.00001 0.00000 0.00001 0.00000 0.00000 178 4XZ 0.00001 0.00000 0.00000 0.00002 0.00000 179 4YZ -0.00001 -0.00002 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00002 -0.00010 -0.00002 -0.00014 0.00000 182 20 C 1S 0.00018 0.00014 0.00000 -0.00013 0.00000 183 2S 0.00069 -0.00027 -0.00048 0.00264 0.00010 184 2PX 0.00445 0.01347 0.00038 0.01170 -0.00001 185 2PY 0.00054 0.00093 0.00149 0.00016 0.00003 186 2PZ 0.00112 0.01050 0.00028 0.00052 0.00021 187 3S 0.00161 -0.00208 -0.00069 0.00660 0.00043 188 3PX -0.00058 0.01344 0.00101 0.01550 0.00017 189 3PY -0.00015 0.00039 0.00230 -0.00003 0.00003 190 3PZ 0.00353 0.01759 0.00025 -0.00227 0.00056 191 4XX 0.00062 0.00088 0.00004 0.00072 0.00000 192 4YY -0.00046 -0.00065 0.00001 -0.00028 0.00000 193 4ZZ 0.00008 0.00036 0.00000 -0.00010 -0.00001 194 4XY 0.00000 0.00001 0.00002 0.00003 0.00000 195 4XZ 0.00033 0.00042 0.00006 0.00004 -0.00001 196 4YZ 0.00001 0.00004 0.00004 0.00000 0.00000 197 21 H 1S -0.00073 -0.00165 0.00048 -0.00022 0.00000 198 2S -0.00772 -0.00639 0.00117 -0.00238 -0.00003 199 22 C 1S 0.00000 0.00002 0.00000 0.00004 0.00000 200 2S -0.00009 -0.00067 0.00001 -0.00080 0.00000 201 2PX -0.00087 -0.00011 0.00003 -0.00046 0.00000 202 2PY 0.00000 0.00000 -0.00010 -0.00001 0.00000 203 2PZ -0.00070 -0.00180 0.00005 -0.00056 0.00000 204 3S 0.00262 0.00233 0.00007 0.00296 0.00000 205 3PX -0.00440 0.00023 0.00010 -0.00239 0.00004 206 3PY -0.00006 -0.00005 0.00030 -0.00015 0.00000 207 3PZ -0.00177 -0.00178 0.00014 -0.00097 0.00001 208 4XX -0.00001 -0.00004 0.00000 -0.00011 0.00000 209 4YY -0.00003 -0.00001 0.00000 -0.00006 0.00000 210 4ZZ 0.00005 0.00013 0.00000 0.00019 0.00000 211 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 212 4XZ 0.00003 0.00003 0.00000 0.00016 0.00000 213 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 214 23 H 1S -0.00001 0.00003 0.00000 -0.00004 0.00000 215 2S 0.00002 0.00027 -0.00001 -0.00011 0.00000 56 57 58 59 60 56 4YY 0.00102 57 4ZZ -0.00011 0.00100 58 4XY 0.00000 0.00000 0.00090 59 4XZ 0.00000 0.00000 0.00000 0.00066 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00111 61 5 C 1S 0.00000 0.00000 -0.00006 -0.00005 -0.00004 62 2S -0.00022 -0.00009 0.00102 0.00083 0.00055 63 2PX -0.00015 -0.00018 0.00056 0.00032 0.00095 64 2PY -0.00033 -0.00012 0.00005 0.00090 0.00003 65 2PZ -0.00008 -0.00022 0.00094 0.00004 0.00003 66 3S -0.00056 -0.00002 0.00034 0.00028 0.00027 67 3PX 0.00017 0.00040 0.00000 0.00000 0.00014 68 3PY 0.00019 -0.00038 -0.00006 0.00010 -0.00005 69 3PZ 0.00000 -0.00035 0.00012 0.00002 0.00003 70 4XX -0.00008 0.00002 -0.00002 -0.00001 -0.00004 71 4YY 0.00003 -0.00003 0.00000 -0.00005 0.00000 72 4ZZ -0.00004 0.00001 -0.00006 0.00001 -0.00001 73 4XY -0.00001 -0.00007 0.00002 -0.00001 0.00001 74 4XZ -0.00004 0.00001 0.00001 0.00002 -0.00001 75 4YZ -0.00001 0.00000 0.00000 0.00002 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00002 0.00000 0.00003 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 81 3S 0.00000 0.00013 0.00000 0.00000 0.00000 82 3PX -0.00010 0.00028 0.00000 0.00009 0.00000 83 3PY 0.00000 0.00000 -0.00003 0.00000 -0.00002 84 3PZ -0.00006 0.00000 0.00000 0.00001 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00002 0.00000 0.00001 0.00000 0.00007 94 2S -0.00008 0.00008 0.00004 0.00000 0.00029 95 9 H 1S -0.00095 0.00309 0.00039 0.00089 0.00244 96 2S -0.00149 0.00329 0.00009 0.00013 0.00049 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00002 0.00000 0.00001 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00009 -0.00001 -0.00002 0.00001 0.00000 120 3PX 0.00026 0.00004 -0.00001 0.00001 0.00003 121 3PY 0.00039 -0.00006 0.00012 -0.00004 0.00006 122 3PZ 0.00009 -0.00002 0.00004 0.00001 0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 -0.00001 0.00000 -0.00001 0.00000 135 3PX -0.00003 -0.00005 0.00002 0.00000 0.00000 136 3PY 0.00000 -0.00002 -0.00001 0.00000 0.00000 137 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00001 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00001 0.00000 0.00001 151 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 153 3S 0.00001 -0.00001 0.00002 0.00000 0.00002 154 3PX 0.00000 -0.00001 0.00010 -0.00002 0.00008 155 3PY 0.00003 -0.00004 0.00003 0.00002 0.00000 156 3PZ 0.00000 0.00000 0.00009 -0.00001 0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00001 0.00001 0.00000 -0.00002 0.00000 171 3PX -0.00001 0.00002 0.00000 0.00000 0.00001 172 3PY 0.00001 0.00000 0.00000 -0.00001 0.00001 173 3PZ -0.00001 0.00004 0.00000 -0.00001 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 0.00000 0.00002 0.00011 0.00001 184 2PX -0.00004 0.00013 0.00005 0.00026 0.00002 185 2PY 0.00000 0.00001 0.00002 0.00002 0.00001 186 2PZ -0.00001 -0.00002 0.00003 0.00006 0.00001 187 3S -0.00012 -0.00009 0.00004 0.00029 0.00003 188 3PX -0.00025 0.00045 0.00006 0.00028 0.00005 189 3PY -0.00001 0.00000 0.00004 0.00003 0.00003 190 3PZ -0.00021 0.00006 0.00008 0.00003 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00008 -0.00005 0.00003 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 204 3S -0.00002 0.00006 0.00000 0.00001 0.00000 205 3PX -0.00003 0.00009 0.00000 0.00003 0.00000 206 3PY 0.00000 0.00000 0.00000 0.00000 -0.00002 207 3PZ -0.00007 0.00018 0.00000 0.00008 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05431 62 2S -0.01557 0.35865 63 2PX 0.00000 0.00000 0.36377 64 2PY 0.00000 0.00000 0.00000 0.43088 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.33860 66 3S -0.02746 0.20417 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.05172 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 -0.00510 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.06450 70 4XX -0.00096 -0.00926 0.00000 0.00000 0.00000 71 4YY -0.00121 -0.00242 0.00000 0.00000 0.00000 72 4ZZ -0.00088 -0.01071 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00024 -0.00067 -0.00037 -0.00049 77 2S -0.00026 0.00662 0.01240 0.00634 0.00942 78 2PX -0.00069 0.01335 0.00741 0.01226 0.02012 79 2PY -0.00040 0.00811 0.01220 0.00129 0.00894 80 2PZ -0.00050 0.00939 0.01956 0.00898 0.00164 81 3S 0.00103 -0.00260 0.01891 0.01309 0.01166 82 3PX 0.00030 0.00297 -0.00081 0.00903 0.01102 83 3PY -0.00104 0.00670 0.00890 0.00231 0.00746 84 3PZ 0.00015 0.00229 0.01125 0.00663 -0.00086 85 4XX -0.00002 0.00051 -0.00038 0.00044 0.00042 86 4YY 0.00000 -0.00022 -0.00018 -0.00027 -0.00010 87 4ZZ -0.00001 0.00024 0.00018 0.00013 -0.00024 88 4XY -0.00005 0.00082 0.00046 0.00003 0.00091 89 4XZ -0.00005 0.00080 0.00022 0.00085 0.00004 90 4YZ -0.00004 0.00062 0.00090 0.00002 0.00013 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00009 0.00012 0.00014 0.00009 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00007 0.00009 0.00013 0.00006 95 9 H 1S 0.00000 -0.00015 -0.00034 -0.00003 -0.00022 96 2S 0.00022 -0.00342 -0.00458 0.00003 -0.00333 97 10 H 1S 0.00000 -0.00015 -0.00036 -0.00001 -0.00027 98 2S 0.00025 -0.00352 -0.00547 0.00009 -0.00419 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 -0.00030 0.00000 -0.00218 0.00000 115 2S -0.00017 0.00434 0.00004 0.03093 0.00004 116 2PX 0.00000 0.00004 0.01588 0.00028 -0.00004 117 2PY -0.00198 0.04475 0.00029 0.10855 0.00023 118 2PZ 0.00000 0.00006 -0.00004 0.00018 0.01983 119 3S -0.00089 -0.01220 -0.00006 0.00952 -0.00008 120 3PX -0.00001 0.00004 0.02765 0.00022 -0.00004 121 3PY -0.00862 0.06492 0.00020 0.05607 0.00017 122 3PZ -0.00001 0.00009 -0.00005 0.00015 0.03621 123 4XX 0.00001 -0.00073 0.00000 -0.00106 0.00000 124 4YY -0.00090 0.00820 0.00006 0.01038 0.00005 125 4ZZ 0.00001 -0.00071 0.00000 -0.00101 0.00000 126 4XY 0.00000 0.00002 0.00445 0.00004 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YZ 0.00000 0.00001 0.00000 0.00003 0.00483 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00004 0.00001 0.00000 135 3PX 0.00000 0.00000 -0.00001 0.00002 0.00000 136 3PY 0.00000 0.00001 0.00005 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 154 3PX 0.00000 0.00003 0.00001 0.00005 -0.00001 155 3PY 0.00000 0.00000 -0.00004 -0.00003 -0.00001 156 3PZ 0.00000 0.00001 0.00001 0.00001 0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00003 0.00003 -0.00001 -0.00001 171 3PX 0.00000 -0.00006 -0.00009 -0.00004 -0.00011 172 3PY 0.00000 0.00002 -0.00003 -0.00003 -0.00001 173 3PZ 0.00000 0.00001 -0.00001 -0.00001 -0.00003 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 -0.00003 0.00000 0.00000 184 2PX 0.00000 -0.00005 -0.00002 -0.00001 0.00002 185 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 187 3S -0.00001 -0.00005 -0.00079 -0.00016 -0.00010 188 3PX 0.00004 -0.00122 0.00055 -0.00023 0.00039 189 3PY 0.00001 -0.00002 0.00013 -0.00014 0.00002 190 3PZ 0.00001 -0.00012 -0.00019 0.00000 -0.00026 191 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 -0.00004 -0.00015 -0.00002 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 201 2PX 0.00000 -0.00001 -0.00002 -0.00001 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 -0.00001 -0.00002 0.00000 0.00000 204 3S 0.00003 -0.00033 -0.00030 0.00009 0.00013 205 3PX 0.00002 -0.00064 -0.00051 -0.00022 -0.00006 206 3PY 0.00000 0.00001 -0.00018 0.00002 -0.00003 207 3PZ 0.00003 -0.00043 -0.00024 0.00005 0.00027 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00003 0.00012 0.00000 0.00009 66 67 68 69 70 66 3S 0.22120 67 3PX 0.00000 0.04450 68 3PY 0.00000 0.00000 0.03712 69 3PZ 0.00000 0.00000 0.00000 0.05660 70 4XX -0.00378 0.00000 0.00000 0.00000 0.00209 71 4YY -0.00458 0.00000 0.00000 0.00000 -0.00038 72 4ZZ -0.00462 0.00000 0.00000 0.00000 0.00036 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00001 0.00029 -0.00023 0.00011 -0.00002 77 2S 0.00693 0.00000 0.00529 0.00106 0.00043 78 2PX 0.01485 0.00017 0.00592 0.00440 -0.00061 79 2PY 0.00787 0.00241 0.00221 0.00157 0.00066 80 2PZ 0.01095 0.00396 0.00459 0.00078 0.00052 81 3S -0.00261 -0.00106 -0.00071 -0.00392 0.00166 82 3PX 0.00607 0.00090 0.00142 0.00261 -0.00057 83 3PY 0.00406 0.00116 0.00087 0.00211 -0.00004 84 3PZ 0.00523 0.00362 0.00143 0.00268 0.00124 85 4XX 0.00080 -0.00032 -0.00009 0.00057 0.00000 86 4YY -0.00070 -0.00011 0.00008 0.00004 -0.00004 87 4ZZ 0.00041 0.00054 -0.00015 -0.00035 0.00000 88 4XY 0.00046 0.00000 -0.00013 0.00015 -0.00002 89 4XZ 0.00028 0.00000 0.00004 0.00001 0.00002 90 4YZ 0.00031 0.00013 -0.00008 0.00000 -0.00010 91 7 H 1S 0.00008 0.00005 0.00003 0.00004 0.00000 92 2S 0.00132 0.00057 0.00037 0.00044 0.00000 93 8 H 1S 0.00007 0.00005 -0.00002 0.00002 0.00000 94 2S 0.00088 0.00046 -0.00031 0.00025 0.00000 95 9 H 1S -0.00210 -0.00069 -0.00053 -0.00034 0.00001 96 2S -0.00699 -0.00196 -0.00098 0.00001 0.00012 97 10 H 1S -0.00269 -0.00036 -0.00040 -0.00067 0.00004 98 2S -0.01165 -0.00040 -0.00095 -0.00201 0.00044 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00002 0.00000 0.00006 0.00000 0.00000 105 3PX 0.00000 0.00003 -0.00001 0.00000 0.00000 106 3PY 0.00000 0.00000 -0.00011 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00002 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00149 0.00000 0.00017 0.00000 0.00000 115 2S -0.02258 0.00001 -0.01340 0.00003 -0.00069 116 2PX 0.00016 0.01935 -0.00023 -0.00001 0.00002 117 2PY 0.02225 -0.00005 -0.00499 0.00004 -0.00152 118 2PZ 0.00001 -0.00001 -0.00004 0.02220 0.00000 119 3S -0.07562 -0.00006 -0.02094 -0.00005 -0.00255 120 3PX 0.00036 0.04298 -0.00039 -0.00002 -0.00001 121 3PY 0.04076 -0.00008 -0.00169 0.00004 -0.00459 122 3PZ 0.00000 -0.00002 -0.00006 0.04863 -0.00001 123 4XX -0.00049 0.00000 0.00125 0.00000 0.00008 124 4YY 0.00602 0.00000 -0.00167 0.00001 -0.00027 125 4ZZ -0.00053 0.00000 0.00118 0.00000 0.00002 126 4XY 0.00001 0.00135 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00161 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00001 0.00001 0.00001 0.00000 0.00000 131 2PX 0.00002 -0.00002 0.00003 0.00001 0.00000 132 2PY 0.00001 0.00002 0.00001 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00019 0.00051 0.00014 0.00000 0.00000 135 3PX 0.00005 0.00002 0.00027 0.00002 0.00000 136 3PY 0.00013 0.00034 0.00004 0.00001 0.00000 137 3PZ -0.00001 0.00003 -0.00001 0.00010 0.00000 138 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00002 -0.00001 -0.00002 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00007 0.00012 0.00009 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00000 0.00002 0.00000 0.00000 150 2PX 0.00001 0.00000 -0.00002 -0.00001 0.00000 151 2PY 0.00001 -0.00002 0.00000 0.00000 0.00000 152 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 153 3S 0.00016 -0.00017 0.00005 -0.00002 0.00000 154 3PX 0.00009 0.00001 -0.00011 -0.00006 0.00000 155 3PY 0.00004 -0.00028 -0.00010 -0.00004 0.00000 156 3PZ 0.00000 -0.00001 -0.00001 0.00002 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00001 0.00001 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00001 0.00001 0.00005 -0.00001 0.00000 167 2PX 0.00001 -0.00003 -0.00018 -0.00009 0.00000 168 2PY -0.00005 -0.00002 0.00002 -0.00001 0.00000 169 2PZ 0.00003 0.00003 -0.00003 -0.00002 0.00000 170 3S 0.00010 0.00012 0.00039 0.00010 0.00000 171 3PX 0.00008 -0.00014 -0.00101 -0.00058 -0.00002 172 3PY -0.00030 -0.00021 0.00006 0.00003 -0.00001 173 3PZ 0.00023 0.00004 -0.00020 -0.00008 -0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00001 -0.00003 -0.00004 0.00000 0.00000 182 20 C 1S 0.00002 0.00006 0.00000 0.00000 0.00000 183 2S -0.00042 -0.00119 -0.00013 -0.00002 0.00000 184 2PX -0.00038 0.00015 -0.00044 0.00016 0.00003 185 2PY -0.00003 -0.00019 -0.00004 0.00001 0.00000 186 2PZ 0.00004 0.00005 0.00001 -0.00002 0.00000 187 3S -0.00134 -0.00508 -0.00040 -0.00024 0.00004 188 3PX -0.00086 0.00244 -0.00079 0.00050 0.00053 189 3PY -0.00002 0.00009 -0.00022 0.00007 0.00001 190 3PZ 0.00000 -0.00017 -0.00004 -0.00009 0.00006 191 4XX 0.00005 0.00016 -0.00001 0.00002 0.00000 192 4YY 0.00000 -0.00006 0.00000 0.00000 0.00000 193 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00001 0.00001 -0.00001 0.00000 0.00000 195 4XZ -0.00001 0.00000 0.00000 -0.00002 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00006 -0.00042 -0.00002 0.00000 0.00000 198 2S -0.00038 -0.00058 -0.00020 0.00000 -0.00003 199 22 C 1S 0.00001 0.00001 0.00000 0.00001 0.00000 200 2S -0.00019 -0.00025 -0.00007 -0.00014 0.00000 201 2PX 0.00026 0.00010 -0.00043 -0.00024 0.00000 202 2PY 0.00007 -0.00004 0.00004 -0.00003 0.00000 203 2PZ -0.00016 -0.00012 -0.00029 -0.00001 0.00000 204 3S -0.00075 -0.00034 -0.00042 -0.00031 0.00004 205 3PX 0.00093 0.00003 -0.00144 -0.00099 -0.00004 206 3PY 0.00005 -0.00029 0.00012 -0.00005 -0.00001 207 3PZ -0.00021 0.00058 -0.00071 0.00020 0.00001 208 4XX 0.00002 0.00002 0.00002 0.00001 0.00000 209 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 210 4ZZ 0.00000 -0.00002 -0.00002 0.00000 0.00000 211 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 212 4XZ 0.00000 0.00001 0.00000 0.00001 0.00000 213 4YZ -0.00001 -0.00001 0.00000 0.00001 0.00000 214 23 H 1S 0.00005 0.00000 0.00000 -0.00008 0.00000 215 2S 0.00060 0.00051 0.00001 0.00025 0.00000 71 72 73 74 75 71 4YY 0.00225 72 4ZZ -0.00027 0.00184 73 4XY 0.00000 0.00000 0.00387 74 4XZ 0.00000 0.00000 0.00000 0.00055 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00342 76 6 C 1S 0.00001 -0.00001 -0.00008 -0.00005 -0.00005 77 2S -0.00028 0.00020 0.00129 0.00079 0.00091 78 2PX -0.00022 0.00043 0.00065 0.00015 0.00167 79 2PY -0.00037 0.00045 0.00020 0.00077 0.00013 80 2PZ -0.00023 -0.00032 0.00168 -0.00002 0.00013 81 3S -0.00122 0.00169 0.00142 0.00041 0.00108 82 3PX -0.00030 0.00144 -0.00001 0.00000 0.00048 83 3PY -0.00023 -0.00014 -0.00001 0.00008 0.00001 84 3PZ -0.00036 -0.00049 0.00045 0.00001 0.00000 85 4XX -0.00004 0.00001 -0.00001 0.00001 -0.00004 86 4YY 0.00002 -0.00003 -0.00001 -0.00003 -0.00001 87 4ZZ -0.00002 0.00000 -0.00005 0.00000 0.00000 88 4XY 0.00000 -0.00009 0.00003 -0.00001 -0.00001 89 4XZ -0.00007 0.00000 0.00001 0.00003 0.00001 90 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00002 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 0.00000 0.00001 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00001 0.00000 0.00001 0.00000 0.00000 95 9 H 1S -0.00001 0.00005 -0.00001 0.00005 0.00000 96 2S -0.00019 0.00063 -0.00006 0.00017 -0.00004 97 10 H 1S 0.00000 0.00002 0.00000 0.00004 0.00000 98 2S -0.00019 0.00031 -0.00004 0.00012 -0.00003 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00082 0.00000 0.00000 0.00000 0.00000 115 2S 0.00874 -0.00062 0.00003 0.00000 0.00002 116 2PX 0.00004 0.00000 0.00795 0.00001 0.00001 117 2PY 0.00265 -0.00145 0.00005 0.00000 0.00002 118 2PZ 0.00003 0.00001 0.00001 0.00001 0.00734 119 3S 0.01214 -0.00216 0.00000 0.00000 0.00001 120 3PX 0.00003 0.00001 0.00818 0.00001 0.00000 121 3PY 0.00154 -0.00436 0.00001 0.00000 0.00000 122 3PZ 0.00003 0.00000 0.00000 0.00001 0.00745 123 4XX -0.00013 0.00002 0.00000 0.00000 0.00000 124 4YY -0.00001 -0.00027 0.00001 0.00000 0.00000 125 4ZZ -0.00012 0.00007 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00071 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00072 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX 0.00001 0.00001 -0.00001 0.00000 -0.00001 172 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 173 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00001 -0.00004 0.00002 0.00001 0.00000 188 3PX -0.00005 -0.00016 -0.00001 0.00002 0.00001 189 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 190 3PZ -0.00001 0.00000 0.00001 -0.00001 -0.00001 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00001 0.00001 0.00002 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00002 0.00002 0.00001 0.00001 0.00001 205 3PX 0.00002 0.00002 0.00000 0.00007 0.00001 206 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 207 3PZ -0.00001 0.00002 0.00000 0.00001 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05495 77 2S -0.01452 0.33288 78 2PX 0.00000 0.00000 0.37385 79 2PY 0.00000 0.00000 0.00000 0.44403 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.35647 81 3S -0.03659 0.25926 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.10501 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.06577 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.10855 85 4XX -0.00126 -0.00473 0.00000 0.00000 0.00000 86 4YY -0.00146 0.00000 0.00000 0.00000 0.00000 87 4ZZ -0.00117 -0.00644 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00021 -0.00009 -0.00063 -0.00006 92 2S 0.00021 -0.00300 -0.00140 -0.00711 -0.00088 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 -0.00001 0.00001 0.00000 -0.00002 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00011 0.00024 0.00002 0.00012 97 10 H 1S -0.00196 0.03169 0.03829 0.03137 0.02897 98 2S -0.00093 0.01019 0.02459 0.01699 0.01826 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00001 0.00000 0.00003 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00001 -0.00001 106 3PY 0.00000 0.00002 0.00001 0.00007 0.00000 107 3PZ 0.00000 0.00000 -0.00001 0.00001 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00002 -0.00001 -0.00006 -0.00001 116 2PX 0.00000 -0.00004 -0.00002 -0.00012 -0.00004 117 2PY 0.00000 -0.00004 -0.00006 -0.00015 -0.00005 118 2PZ 0.00000 -0.00003 -0.00005 -0.00010 -0.00001 119 3S 0.00000 0.00000 0.00021 -0.00226 0.00014 120 3PX 0.00006 -0.00143 -0.00008 -0.00239 -0.00099 121 3PY 0.00004 -0.00072 -0.00056 -0.00263 -0.00055 122 3PZ 0.00005 -0.00114 -0.00104 -0.00199 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 124 4YY 0.00000 -0.00001 -0.00001 0.00002 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00006 0.00000 0.00001 155 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00003 -0.00001 0.00001 171 3PX 0.00000 -0.00009 -0.00008 0.00000 0.00002 172 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 173 3PZ 0.00000 -0.00001 0.00001 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 -0.00001 -0.00007 0.00000 0.00000 188 3PX 0.00000 0.00003 -0.00013 0.00000 0.00004 189 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 -0.00001 0.00009 0.00000 0.00000 205 3PX 0.00000 -0.00020 -0.00001 0.00000 0.00004 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 -0.00001 0.00008 0.00000 -0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 0.00000 0.00003 81 82 83 84 85 81 3S 0.45950 82 3PX 0.00000 0.10415 83 3PY 0.00000 0.00000 0.06010 84 3PZ 0.00000 0.00000 0.00000 0.11349 85 4XX -0.00228 0.00000 0.00000 0.00000 0.00073 86 4YY -0.00243 0.00000 0.00000 0.00000 -0.00006 87 4ZZ -0.00367 0.00000 0.00000 0.00000 0.00015 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00353 -0.00060 -0.00287 -0.00039 0.00001 92 2S -0.00488 -0.00250 -0.00554 -0.00147 0.00018 93 8 H 1S 0.00000 0.00000 0.00001 -0.00001 0.00000 94 2S -0.00022 0.00009 -0.00001 -0.00025 0.00000 95 9 H 1S 0.00007 0.00012 0.00002 0.00006 0.00000 96 2S 0.00199 0.00195 0.00016 0.00080 -0.00001 97 10 H 1S 0.04286 0.01992 0.01034 0.01505 0.00045 98 2S 0.00397 0.01955 0.00762 0.01403 0.00106 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00004 -0.00001 0.00000 101 2PX 0.00002 0.00000 0.00008 -0.00002 0.00000 102 2PY 0.00010 0.00002 0.00020 -0.00001 0.00000 103 2PZ 0.00003 -0.00002 0.00010 0.00000 0.00000 104 3S 0.00005 -0.00004 0.00033 -0.00001 0.00000 105 3PX 0.00033 -0.00010 0.00081 -0.00017 0.00000 106 3PY 0.00112 0.00014 0.00160 -0.00004 0.00000 107 3PZ 0.00040 -0.00015 0.00095 -0.00012 0.00000 108 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 109 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00001 0.00000 0.00001 0.00000 0.00000 114 12 O 1S 0.00002 -0.00004 0.00001 -0.00002 0.00000 115 2S -0.00078 0.00027 0.00058 0.00012 0.00000 116 2PX -0.00289 0.00002 0.00095 -0.00051 0.00000 117 2PY -0.00335 -0.00218 0.00196 -0.00175 0.00000 118 2PZ -0.00270 -0.00075 0.00113 0.00001 0.00000 119 3S 0.00096 0.00283 -0.00256 0.00205 -0.00001 120 3PX -0.01405 0.00045 0.00244 -0.00223 -0.00003 121 3PY -0.01162 -0.00523 0.00343 -0.00434 -0.00008 122 3PZ -0.01278 -0.00287 0.00290 0.00001 0.00004 123 4XX 0.00009 -0.00001 -0.00006 0.00003 0.00000 124 4YY -0.00056 -0.00033 0.00042 -0.00025 0.00000 125 4ZZ 0.00003 0.00004 -0.00003 -0.00001 0.00000 126 4XY -0.00014 0.00000 0.00013 0.00002 0.00000 127 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 128 4YZ -0.00017 0.00000 0.00015 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00001 0.00009 -0.00001 -0.00001 0.00000 136 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 137 3PZ 0.00001 0.00001 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 -0.00002 0.00000 0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00008 -0.00016 0.00004 0.00001 0.00000 154 3PX -0.00014 -0.00059 -0.00005 0.00013 0.00000 155 3PY -0.00013 -0.00017 -0.00002 0.00001 0.00000 156 3PZ 0.00000 0.00002 -0.00003 0.00003 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00001 -0.00001 -0.00002 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00001 -0.00005 -0.00001 -0.00001 0.00000 167 2PX 0.00002 0.00001 0.00004 -0.00002 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 170 3S -0.00003 0.00011 0.00001 0.00007 0.00000 171 3PX 0.00007 0.00051 0.00021 0.00007 0.00000 172 3PY 0.00008 0.00017 0.00001 0.00002 0.00000 173 3PZ 0.00002 0.00015 0.00005 -0.00007 0.00000 174 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 181 2S 0.00007 0.00000 0.00008 -0.00003 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00002 0.00000 0.00000 0.00000 184 2PX 0.00004 -0.00009 0.00001 0.00002 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S -0.00010 -0.00067 -0.00005 0.00003 0.00000 188 3PX 0.00101 -0.00127 0.00000 0.00031 0.00000 189 3PY 0.00007 -0.00002 0.00004 0.00000 0.00000 190 3PZ 0.00000 -0.00001 -0.00001 0.00007 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00011 0.00004 -0.00004 0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00003 -0.00008 0.00000 -0.00003 0.00000 201 2PX 0.00008 0.00007 0.00000 -0.00003 0.00000 202 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 203 2PZ 0.00003 0.00003 0.00000 0.00001 0.00000 204 3S 0.00008 0.00074 -0.00001 -0.00001 0.00000 205 3PX 0.00062 0.00100 0.00001 0.00016 0.00000 206 3PY 0.00001 0.00000 -0.00003 -0.00001 0.00000 207 3PZ 0.00005 0.00044 0.00000 -0.00005 0.00000 208 4XX 0.00000 0.00002 0.00000 0.00001 0.00000 209 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 210 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 215 2S -0.00025 0.00013 0.00003 0.00025 0.00000 86 87 88 89 90 86 4YY 0.00076 87 4ZZ -0.00004 0.00067 88 4XY 0.00000 0.00000 0.00129 89 4XZ 0.00000 0.00000 0.00000 0.00064 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00114 91 7 H 1S 0.00001 0.00000 0.00006 0.00000 0.00004 92 2S -0.00019 0.00013 0.00026 0.00001 0.00017 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S -0.00043 0.00003 0.00223 0.00152 0.00169 98 2S -0.00068 0.00071 0.00049 0.00023 0.00036 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00001 0.00000 0.00000 0.00000 0.00001 117 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 118 2PZ 0.00001 0.00000 0.00001 0.00000 0.00000 119 3S 0.00006 -0.00001 0.00000 0.00000 -0.00001 120 3PX 0.00016 0.00004 -0.00002 0.00000 0.00011 121 3PY 0.00036 -0.00002 0.00010 -0.00004 0.00011 122 3PZ 0.00014 -0.00003 0.00010 0.00000 -0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX -0.00001 0.00000 0.00000 0.00001 0.00000 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21414 92 2S 0.10364 0.14245 93 8 H 1S 0.00000 0.00000 0.21296 94 2S 0.00000 -0.00014 0.10248 0.13508 95 9 H 1S 0.00000 0.00000 -0.00002 -0.00099 0.21302 96 2S 0.00000 0.00002 -0.00098 -0.00458 0.10243 97 10 H 1S -0.00001 -0.00089 0.00000 0.00000 0.00000 98 2S -0.00089 -0.00526 0.00000 0.00002 0.00000 99 11 O 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 100 2S 0.00000 0.00017 0.00000 0.00011 0.00000 101 2PX 0.00000 0.00055 0.00000 0.00037 0.00000 102 2PY 0.00000 -0.00064 0.00000 -0.00045 0.00000 103 2PZ 0.00000 0.00034 0.00000 0.00019 0.00000 104 3S -0.00019 0.00035 -0.00012 0.00037 0.00000 105 3PX -0.00011 0.00316 0.00007 0.00239 0.00000 106 3PY -0.00023 -0.00283 -0.00018 -0.00223 0.00000 107 3PZ -0.00014 0.00214 -0.00035 0.00112 0.00000 108 4XX 0.00000 0.00005 0.00000 0.00002 0.00000 109 4YY 0.00000 -0.00012 0.00000 -0.00008 0.00000 110 4ZZ 0.00000 0.00005 0.00000 0.00004 0.00000 111 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 112 4XZ 0.00000 0.00001 0.00000 0.00001 0.00000 113 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 -0.00001 0.00000 -0.00001 -0.00012 120 3PX 0.00000 -0.00002 0.00000 -0.00002 0.00007 121 3PY 0.00000 -0.00003 0.00000 -0.00002 -0.00018 122 3PZ 0.00000 -0.00001 0.00000 0.00000 -0.00035 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 -0.00006 0.00000 131 2PX 0.00000 0.00000 0.00000 -0.00018 0.00000 132 2PY 0.00000 0.00000 0.00000 -0.00016 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 134 3S 0.00000 0.00000 -0.00009 -0.00008 -0.00009 135 3PX 0.00000 0.00000 -0.00009 -0.00041 -0.00005 136 3PY 0.00000 0.00000 -0.00016 -0.00066 -0.00018 137 3PZ 0.00000 0.00000 -0.00036 -0.00075 -0.00036 138 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 141 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00003 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00005 0.00000 147 2S 0.00000 0.00000 0.00015 0.00114 0.00015 148 16 C 1S 0.00000 0.00000 0.00000 0.00003 0.00000 149 2S 0.00000 0.00000 -0.00003 -0.00048 0.00000 150 2PX 0.00000 0.00000 -0.00001 -0.00015 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 -0.00009 -0.00198 0.00000 153 3S 0.00000 0.00000 -0.00113 -0.00402 0.00001 154 3PX 0.00000 -0.00010 -0.00069 -0.00149 0.00006 155 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00008 156 3PZ 0.00000 0.00002 -0.00025 -0.00227 0.00008 157 4XX 0.00000 0.00000 0.00000 -0.00008 0.00000 158 4YY 0.00000 0.00000 0.00000 -0.00003 0.00000 159 4ZZ 0.00000 0.00000 0.00001 0.00022 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00001 0.00003 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 -0.00001 -0.00031 0.00000 164 2S 0.00000 0.00000 -0.00020 0.00013 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00005 0.00000 167 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00014 0.00000 170 3S 0.00000 -0.00004 0.00001 0.00020 0.00001 171 3PX 0.00000 -0.00004 -0.00003 -0.00004 0.00000 172 3PY 0.00000 -0.00001 0.00002 0.00016 0.00001 173 3PZ 0.00000 0.00000 0.00002 0.00063 0.00002 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00007 0.00000 -0.00008 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00002 -0.00002 184 2PX 0.00000 0.00000 0.00000 0.00006 -0.00001 185 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00008 -0.00008 187 3S 0.00000 0.00000 0.00001 0.00000 -0.00100 188 3PX 0.00000 0.00001 0.00006 0.00049 -0.00064 189 3PY 0.00000 0.00000 -0.00007 -0.00058 0.00000 190 3PZ 0.00000 0.00000 0.00008 0.00079 -0.00022 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00009 -0.00017 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 204 3S 0.00000 0.00001 0.00001 0.00015 0.00001 205 3PX 0.00000 0.00007 0.00001 0.00015 -0.00003 206 3PY 0.00000 0.00000 0.00001 0.00018 0.00002 207 3PZ 0.00000 0.00000 0.00002 0.00039 0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00001 0.00000 96 97 98 99 100 96 2S 0.13484 97 10 H 1S 0.00000 0.21415 98 2S -0.00014 0.10358 0.14237 99 11 O 1S 0.00000 0.00000 0.00000 2.07866 100 2S 0.00000 0.00000 0.00000 -0.04251 0.50020 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00001 0.00000 -0.00001 -0.04085 0.45576 105 3PX -0.00002 0.00000 -0.00002 0.00000 0.00000 106 3PY -0.00002 0.00000 -0.00003 0.00000 0.00000 107 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00041 -0.00550 109 4YY 0.00000 0.00000 0.00000 -0.00034 -0.00629 110 4ZZ 0.00000 0.00000 0.00000 -0.00043 -0.00495 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00001 0.00000 -0.00001 0.00000 0.00000 115 2S 0.00011 0.00000 0.00017 0.00000 0.00000 116 2PX 0.00037 0.00000 0.00054 0.00000 0.00000 117 2PY -0.00046 0.00000 -0.00063 0.00000 0.00000 118 2PZ 0.00019 0.00000 0.00035 0.00000 0.00000 119 3S 0.00038 -0.00019 0.00037 0.00000 0.00000 120 3PX 0.00238 -0.00014 0.00312 0.00000 0.00000 121 3PY -0.00227 -0.00021 -0.00283 0.00000 0.00000 122 3PZ 0.00111 -0.00014 0.00219 0.00000 0.00000 123 4XX 0.00002 0.00000 0.00006 0.00000 0.00000 124 4YY -0.00008 0.00000 -0.00011 0.00000 0.00000 125 4ZZ 0.00004 0.00000 0.00005 0.00000 0.00000 126 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 127 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 128 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00005 0.00000 0.00000 0.00000 0.00000 131 2PX -0.00013 0.00000 0.00000 0.00000 0.00000 132 2PY -0.00018 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00000 0.00000 0.00000 0.00000 135 3PX -0.00020 0.00000 0.00000 0.00000 0.00000 136 3PY -0.00074 0.00000 0.00000 0.00000 0.00000 137 3PZ -0.00076 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 139 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 141 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00003 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 147 2S 0.00114 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00002 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00005 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00003 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00008 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00044 0.00000 0.00001 0.00000 0.00010 155 3PY -0.00062 0.00000 0.00000 0.00000 -0.00003 156 3PZ 0.00079 0.00000 0.00000 0.00000 -0.00001 157 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00010 0.00000 0.00000 0.00000 0.00004 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 170 3S 0.00017 0.00000 0.00001 0.00000 -0.00001 171 3PX 0.00013 0.00000 0.00007 0.00000 0.00001 172 3PY 0.00022 0.00000 0.00000 0.00000 0.00001 173 3PZ 0.00039 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00001 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00003 0.00000 0.00000 0.00000 0.00000 183 2S -0.00042 0.00000 0.00000 0.00000 0.00000 184 2PX -0.00011 0.00000 0.00000 0.00000 0.00000 185 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 186 2PZ -0.00178 0.00000 0.00000 0.00000 0.00000 187 3S -0.00356 0.00000 0.00000 0.00000 0.00000 188 3PX -0.00130 0.00000 -0.00010 0.00000 0.00000 189 3PY -0.00003 0.00000 0.00000 0.00000 0.00000 190 3PZ -0.00203 0.00000 0.00002 0.00000 0.00000 191 4XX -0.00007 0.00000 0.00000 0.00000 0.00000 192 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00019 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00003 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00028 0.00000 0.00000 0.00000 0.00000 198 2S 0.00023 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00005 0.00000 0.00000 0.00000 0.00000 201 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00012 0.00000 0.00000 0.00000 0.00000 204 3S 0.00015 0.00000 -0.00003 0.00000 0.00000 205 3PX -0.00005 0.00000 -0.00003 0.00000 0.00000 206 3PY 0.00017 0.00000 -0.00001 0.00000 0.00000 207 3PZ 0.00052 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00008 0.00000 0.00007 0.00000 0.00000 101 102 103 104 105 101 2PX 0.71701 102 2PY 0.00000 0.60769 103 2PZ 0.00000 0.00000 0.66734 104 3S 0.00000 0.00000 0.00000 0.76912 105 3PX 0.24668 0.00000 0.00000 0.00000 0.33987 106 3PY 0.00000 0.16390 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.22674 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00749 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.01743 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00667 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00001 0.00006 135 3PX 0.00000 0.00000 0.00000 0.00002 0.00006 136 3PY 0.00000 0.00000 0.00000 0.00001 0.00006 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00001 -0.00006 150 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00038 151 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 153 3S -0.00018 0.00008 -0.00001 -0.00046 -0.00153 154 3PX 0.00010 -0.00002 -0.00008 -0.00007 0.00037 155 3PY -0.00008 -0.00002 0.00003 0.00006 -0.00054 156 3PZ -0.00008 0.00000 0.00003 -0.00005 -0.00051 157 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 164 2S 0.00042 -0.00001 0.00000 0.00062 0.00326 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00001 168 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 169 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 170 3S -0.00004 -0.00002 -0.00001 -0.00009 -0.00051 171 3PX 0.00000 0.00002 -0.00004 -0.00041 0.00001 172 3PY 0.00002 0.00001 0.00001 0.00000 0.00022 173 3PZ -0.00002 -0.00002 0.00001 -0.00011 -0.00015 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00001 0.00002 0.00002 -0.00006 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 189 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00003 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00001 0.00002 205 3PX 0.00000 0.00000 0.00000 -0.00002 0.00002 206 3PY 0.00000 0.00000 0.00000 0.00001 0.00003 207 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00002 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 3PY 0.17813 107 3PZ 0.00000 0.30853 108 4XX 0.00000 0.00000 0.00051 109 4YY 0.00000 0.00000 -0.00006 0.00331 110 4ZZ 0.00000 0.00000 0.00014 -0.00005 0.00044 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 0.00000 0.00000 0.00000 0.00000 135 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 150 2PX -0.00002 -0.00006 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00002 0.00000 0.00000 0.00000 153 3S 0.00053 -0.00011 0.00000 0.00002 0.00000 154 3PX -0.00035 -0.00057 0.00004 0.00000 0.00000 155 3PY -0.00007 0.00018 0.00000 -0.00001 0.00000 156 3PZ -0.00002 0.00034 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00007 -0.00003 0.00000 -0.00001 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX -0.00001 -0.00002 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00015 -0.00018 0.00000 0.00000 0.00000 171 3PX -0.00006 -0.00035 0.00001 0.00001 0.00001 172 3PY 0.00001 0.00007 0.00000 0.00000 0.00000 173 3PZ -0.00022 0.00007 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00006 0.00019 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00001 0.00001 0.00000 0.00000 0.00000 205 3PX -0.00001 0.00003 0.00000 0.00000 0.00000 206 3PY 0.00001 0.00001 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 4XY 0.00193 112 4XZ 0.00000 0.00005 113 4YZ 0.00000 0.00000 0.00199 114 12 O 1S 0.00000 0.00000 0.00000 2.07865 115 2S 0.00000 0.00000 0.00000 -0.04250 0.49997 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 -0.04084 0.45572 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00041 -0.00548 124 4YY 0.00000 0.00000 0.00000 -0.00034 -0.00632 125 4ZZ 0.00000 0.00000 0.00000 -0.00043 -0.00496 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00002 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00001 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00001 0.00000 0.00000 0.00000 0.00000 171 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00009 189 3PY 0.00000 0.00000 0.00000 0.00000 -0.00003 190 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00004 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 205 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 2PX 0.71716 117 2PY 0.00000 0.60649 118 2PZ 0.00000 0.00000 0.66842 119 3S 0.00000 0.00000 0.00000 0.76888 120 3PX 0.24721 0.00000 0.00000 0.00000 0.34108 121 3PY 0.00000 0.16353 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.22744 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00750 0.00000 124 4YY 0.00000 0.00000 0.00000 -0.01740 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00669 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00001 0.00006 135 3PX 0.00000 0.00000 0.00000 0.00002 0.00005 136 3PY 0.00000 0.00000 0.00000 0.00001 0.00007 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 155 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00003 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00001 0.00002 171 3PX 0.00000 0.00000 0.00000 -0.00002 0.00002 172 3PY 0.00000 0.00000 0.00000 0.00001 0.00004 173 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00002 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 -0.00001 -0.00006 184 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00035 185 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 186 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 187 3S -0.00018 0.00008 -0.00001 -0.00045 -0.00148 188 3PX 0.00007 -0.00002 -0.00008 -0.00011 0.00021 189 3PY -0.00007 -0.00003 0.00003 0.00006 -0.00051 190 3PZ -0.00008 -0.00001 0.00003 -0.00006 -0.00052 191 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 198 2S 0.00041 -0.00001 0.00000 0.00060 0.00321 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00001 202 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 203 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 204 3S -0.00004 -0.00002 -0.00001 -0.00008 -0.00048 205 3PX 0.00000 0.00002 -0.00004 -0.00039 0.00001 206 3PY 0.00002 0.00001 0.00000 -0.00002 0.00023 207 3PZ -0.00002 -0.00003 0.00001 -0.00011 -0.00014 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00002 0.00002 -0.00006 121 122 123 124 125 121 3PY 0.17768 122 3PZ 0.00000 0.30996 123 4XX 0.00000 0.00000 0.00049 124 4YY 0.00000 0.00000 -0.00005 0.00330 125 4ZZ 0.00000 0.00000 0.00015 -0.00005 0.00044 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00000 0.00000 0.00000 0.00000 135 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00001 0.00001 0.00000 0.00000 0.00000 171 3PX -0.00001 0.00003 0.00000 0.00000 0.00000 172 3PY 0.00002 0.00002 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 184 2PX -0.00003 -0.00006 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00002 0.00000 0.00000 0.00000 187 3S 0.00050 -0.00010 0.00001 0.00002 0.00000 188 3PX -0.00034 -0.00061 0.00004 0.00000 0.00000 189 3PY -0.00011 0.00018 0.00000 -0.00001 0.00000 190 3PZ -0.00004 0.00034 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00006 -0.00003 0.00000 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX -0.00001 -0.00002 0.00000 0.00000 0.00000 202 2PY -0.00001 -0.00001 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00017 -0.00017 0.00000 0.00000 0.00000 205 3PX -0.00008 -0.00031 0.00001 0.00001 0.00001 206 3PY 0.00001 0.00006 0.00000 0.00000 0.00000 207 3PZ -0.00023 0.00007 0.00001 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00006 0.00017 0.00000 0.00000 0.00000 126 127 128 129 130 126 4XY 0.00195 127 4XZ 0.00000 0.00003 128 4YZ 0.00000 0.00000 0.00201 129 13 C 1S 0.00000 0.00000 0.00000 2.05176 130 2S 0.00000 0.00000 0.00000 -0.01215 0.31093 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.03508 0.23892 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00139 -0.00067 139 4YY 0.00000 0.00000 0.00000 -0.00112 -0.00568 140 4ZZ 0.00000 0.00000 0.00000 -0.00143 0.00003 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 -0.00157 0.02648 145 2S 0.00000 0.00000 0.00000 -0.00038 0.00726 146 15 H 1S 0.00000 0.00000 0.00000 -0.00171 0.02796 147 2S 0.00000 0.00000 0.00000 -0.00064 0.00917 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00018 149 2S 0.00000 0.00000 0.00000 -0.00017 0.00491 150 2PX 0.00000 0.00000 0.00000 -0.00039 0.00743 151 2PY 0.00000 0.00000 0.00000 -0.00065 0.01277 152 2PZ 0.00000 0.00000 0.00000 -0.00021 0.00440 153 3S 0.00000 0.00000 0.00000 -0.00003 0.00545 154 3PX 0.00000 0.00000 0.00000 -0.00025 0.00411 155 3PY 0.00000 0.00000 0.00000 -0.00078 0.00973 156 3PZ 0.00000 0.00000 0.00000 -0.00005 0.00194 157 4XX 0.00000 0.00000 0.00000 -0.00001 0.00011 158 4YY 0.00000 0.00000 0.00000 -0.00003 0.00059 159 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00028 160 4XY 0.00000 0.00000 0.00000 -0.00006 0.00104 161 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00032 162 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00056 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00008 164 2S 0.00000 0.00000 0.00000 0.00008 -0.00144 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 -0.00012 167 2PX 0.00000 0.00000 0.00000 0.00000 -0.00023 168 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 169 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00017 170 3S 0.00000 0.00000 0.00000 0.00011 -0.00205 171 3PX 0.00000 0.00000 0.00000 0.00013 -0.00264 172 3PY 0.00000 0.00000 0.00000 0.00001 0.00002 173 3PZ 0.00000 0.00000 0.00000 0.00010 -0.00094 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00010 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00018 183 2S 0.00000 0.00000 0.00000 -0.00018 0.00500 184 2PX 0.00000 0.00000 0.00000 -0.00031 0.00599 185 2PY 0.00000 0.00000 0.00000 -0.00073 0.01425 186 2PZ 0.00000 0.00000 0.00000 -0.00021 0.00456 187 3S -0.00002 0.00000 0.00000 -0.00001 0.00536 188 3PX 0.00001 0.00000 0.00000 -0.00019 0.00316 189 3PY 0.00000 0.00000 0.00000 -0.00083 0.01053 190 3PZ -0.00001 0.00000 0.00000 -0.00005 0.00196 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 -0.00003 0.00079 193 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00029 194 4XY 0.00000 0.00000 0.00000 -0.00005 0.00093 195 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00026 196 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00064 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00008 198 2S 0.00001 0.00000 0.00000 0.00008 -0.00145 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 -0.00012 201 2PX 0.00000 0.00000 0.00000 0.00000 -0.00022 202 2PY 0.00000 0.00000 0.00000 0.00000 -0.00004 203 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00017 204 3S -0.00001 0.00000 0.00000 0.00011 -0.00206 205 3PX 0.00000 0.00000 0.00000 0.00012 -0.00251 206 3PY 0.00000 0.00000 0.00000 0.00001 -0.00009 207 3PZ 0.00000 0.00000 0.00000 0.00010 -0.00094 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00010 131 132 133 134 135 131 2PX 0.39633 132 2PY 0.00000 0.37497 133 2PZ 0.00000 0.00000 0.41072 134 3S 0.00000 0.00000 0.00000 0.33201 135 3PX 0.10085 0.00000 0.00000 0.00000 0.08949 136 3PY 0.00000 0.10172 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.10152 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00106 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00432 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00118 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.08205 0.00014 0.01168 0.03236 0.05499 145 2S 0.05179 0.00009 0.00739 0.00039 0.05107 146 15 H 1S 0.00016 0.00000 0.09708 0.03747 -0.00002 147 2S 0.00011 0.00000 0.06099 0.01566 -0.00023 148 16 C 1S -0.00042 -0.00071 -0.00018 0.00036 -0.00038 149 2S 0.00849 0.01545 0.00344 0.00203 0.00613 150 2PX 0.00213 0.02082 0.00516 0.01153 -0.00240 151 2PY 0.01628 0.01841 0.00724 0.01760 0.00916 152 2PZ 0.00615 0.01099 -0.00057 0.00361 0.00296 153 3S 0.01042 0.01113 0.00485 -0.01414 0.00412 154 3PX -0.00139 0.01247 0.00214 0.00670 -0.00406 155 3PY 0.00722 0.00150 0.00345 0.00788 0.00314 156 3PZ 0.00263 0.00673 -0.00108 -0.00047 0.00127 157 4XX -0.00040 0.00053 0.00018 0.00038 -0.00068 158 4YY 0.00106 -0.00086 0.00050 0.00044 0.00048 159 4ZZ -0.00026 -0.00021 -0.00006 -0.00038 0.00005 160 4XY 0.00014 0.00086 0.00058 0.00071 -0.00005 161 4XZ 0.00004 0.00038 0.00002 0.00016 0.00002 162 4YZ 0.00058 0.00043 0.00002 0.00040 0.00018 163 17 H 1S -0.00003 -0.00037 -0.00001 -0.00247 -0.00063 164 2S -0.00044 -0.00635 -0.00010 -0.00743 -0.00165 165 18 C 1S 0.00000 0.00000 0.00000 0.00014 0.00011 166 2S -0.00014 -0.00003 -0.00030 -0.00249 -0.00161 167 2PX 0.00002 0.00004 -0.00033 -0.00087 0.00073 168 2PY -0.00005 -0.00001 -0.00004 -0.00145 -0.00100 169 2PZ -0.00034 -0.00020 -0.00032 -0.00306 -0.00366 170 3S -0.00188 0.00119 -0.00385 -0.00721 -0.00365 171 3PX -0.00001 0.00047 -0.00261 -0.00239 -0.00016 172 3PY 0.00012 -0.00114 0.00053 -0.00165 -0.00063 173 3PZ -0.00165 0.00024 -0.00151 -0.00346 -0.00500 174 4XX 0.00000 0.00000 0.00002 0.00018 0.00006 175 4YY 0.00000 0.00000 -0.00001 -0.00011 -0.00009 176 4ZZ 0.00005 0.00002 0.00004 0.00022 0.00027 177 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 178 4XZ 0.00003 0.00002 0.00006 0.00014 0.00005 179 4YZ 0.00002 0.00000 0.00002 0.00005 0.00003 180 19 H 1S 0.00000 0.00000 0.00000 0.00011 0.00010 181 2S 0.00013 0.00012 0.00018 0.00167 0.00111 182 20 C 1S -0.00034 -0.00080 -0.00019 0.00036 -0.00031 183 2S 0.00683 0.01724 0.00361 0.00207 0.00497 184 2PX 0.00053 0.01848 0.00440 0.00946 -0.00235 185 2PY 0.01416 0.02409 0.00842 0.01966 0.00795 186 2PZ 0.00510 0.01251 -0.00055 0.00367 0.00234 187 3S 0.00851 0.01283 0.00504 -0.01462 0.00346 188 3PX -0.00120 0.01128 0.00176 0.00579 -0.00320 189 3PY 0.00631 0.00291 0.00389 0.00882 0.00266 190 3PZ 0.00206 0.00754 -0.00113 -0.00069 0.00095 191 4XX -0.00026 0.00025 0.00011 0.00007 -0.00062 192 4YY 0.00111 -0.00085 0.00065 0.00077 0.00052 193 4ZZ -0.00022 -0.00024 -0.00007 -0.00036 0.00007 194 4XY 0.00000 0.00098 0.00054 0.00065 -0.00004 195 4XZ 0.00001 0.00033 0.00002 0.00012 0.00003 196 4YZ 0.00054 0.00059 0.00001 0.00045 0.00016 197 21 H 1S -0.00002 -0.00038 -0.00001 -0.00249 -0.00042 198 2S -0.00024 -0.00660 -0.00010 -0.00742 -0.00109 199 22 C 1S 0.00000 0.00000 0.00000 0.00014 0.00010 200 2S -0.00013 -0.00004 -0.00030 -0.00249 -0.00149 201 2PX 0.00001 0.00004 -0.00031 -0.00060 0.00058 202 2PY -0.00006 0.00000 -0.00005 -0.00168 -0.00101 203 2PZ -0.00029 -0.00024 -0.00033 -0.00310 -0.00326 204 3S -0.00194 0.00129 -0.00384 -0.00725 -0.00371 205 3PX -0.00002 0.00039 -0.00260 -0.00193 -0.00053 206 3PY 0.00002 -0.00095 0.00052 -0.00199 -0.00063 207 3PZ -0.00159 0.00023 -0.00149 -0.00361 -0.00467 208 4XX 0.00000 0.00000 0.00002 0.00017 0.00004 209 4YY 0.00000 0.00000 -0.00001 -0.00010 -0.00007 210 4ZZ 0.00005 0.00002 0.00004 0.00022 0.00025 211 4XY 0.00000 0.00000 0.00000 0.00002 0.00001 212 4XZ 0.00003 0.00002 0.00005 0.00013 0.00003 213 4YZ 0.00002 0.00000 0.00002 0.00006 0.00003 214 23 H 1S 0.00000 0.00000 0.00000 0.00011 0.00009 215 2S 0.00011 0.00014 0.00019 0.00167 0.00095 136 137 138 139 140 136 3PY 0.09119 137 3PZ 0.00000 0.08620 138 4XX 0.00000 0.00000 0.00159 139 4YY 0.00000 0.00000 -0.00008 0.00133 140 4ZZ 0.00000 0.00000 -0.00023 -0.00018 0.00188 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00009 0.00767 0.00550 -0.00087 -0.00075 145 2S 0.00009 0.00777 0.00541 -0.00195 -0.00190 146 15 H 1S 0.00000 0.05933 -0.00094 -0.00098 0.00743 147 2S 0.00000 0.05334 -0.00278 -0.00218 0.00667 148 16 C 1S -0.00063 -0.00009 0.00000 -0.00003 0.00000 149 2S 0.01043 0.00193 -0.00014 0.00079 -0.00018 150 2PX 0.01507 0.00362 -0.00023 0.00073 -0.00021 151 2PY 0.00273 0.00366 0.00017 -0.00063 -0.00018 152 2PZ 0.00767 -0.00059 0.00003 0.00054 -0.00005 153 3S 0.00133 0.00070 -0.00009 0.00186 -0.00110 154 3PX 0.01194 0.00202 -0.00046 0.00066 -0.00013 155 3PY -0.00219 0.00079 0.00043 -0.00038 -0.00053 156 3PZ 0.00539 0.00001 0.00010 0.00034 -0.00030 157 4XX 0.00078 0.00020 0.00003 -0.00008 -0.00002 158 4YY -0.00077 0.00020 -0.00005 0.00007 -0.00005 159 4ZZ -0.00029 -0.00032 -0.00002 -0.00006 0.00002 160 4XY 0.00007 0.00017 0.00000 -0.00002 -0.00002 161 4XZ 0.00009 0.00014 -0.00001 0.00000 0.00000 162 4YZ 0.00004 0.00006 -0.00001 -0.00001 0.00000 163 17 H 1S -0.00372 -0.00019 0.00000 0.00005 0.00000 164 2S -0.01156 -0.00043 -0.00008 0.00043 -0.00007 165 18 C 1S 0.00001 0.00016 0.00000 0.00000 0.00000 166 2S -0.00041 -0.00223 0.00000 0.00000 0.00003 167 2PX 0.00001 0.00196 -0.00002 -0.00001 0.00008 168 2PY -0.00026 -0.00044 0.00000 0.00000 0.00000 169 2PZ -0.00178 -0.00218 0.00001 -0.00001 0.00007 170 3S 0.00248 -0.00648 -0.00004 -0.00013 0.00039 171 3PX 0.00066 0.00312 -0.00017 -0.00012 0.00055 172 3PY -0.00310 0.00031 0.00000 0.00002 -0.00008 173 3PZ -0.00035 -0.00264 0.00008 -0.00017 0.00029 174 4XX 0.00004 0.00022 0.00000 0.00000 0.00000 175 4YY -0.00001 -0.00013 0.00000 0.00000 0.00000 176 4ZZ 0.00003 0.00011 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00004 0.00000 0.00000 0.00000 178 4XZ 0.00006 0.00013 0.00000 0.00000 0.00000 179 4YZ -0.00008 0.00002 0.00000 0.00000 0.00000 180 19 H 1S 0.00008 0.00006 0.00000 0.00000 0.00000 181 2S 0.00104 0.00098 0.00000 0.00000 -0.00002 182 20 C 1S -0.00071 -0.00009 0.00000 -0.00004 0.00000 183 2S 0.01164 0.00200 -0.00024 0.00103 -0.00019 184 2PX 0.01355 0.00319 -0.00014 0.00073 -0.00017 185 2PY 0.00511 0.00438 -0.00007 -0.00056 -0.00020 186 2PZ 0.00853 -0.00068 -0.00004 0.00071 -0.00006 187 3S 0.00195 0.00078 -0.00029 0.00214 -0.00111 188 3PX 0.01099 0.00182 -0.00040 0.00058 -0.00006 189 3PY -0.00174 0.00107 0.00025 -0.00028 -0.00055 190 3PZ 0.00592 -0.00009 -0.00001 0.00048 -0.00031 191 4XX 0.00052 0.00013 0.00002 -0.00007 -0.00002 192 4YY -0.00070 0.00029 -0.00004 0.00007 -0.00005 193 4ZZ -0.00027 -0.00033 -0.00001 -0.00007 0.00002 194 4XY 0.00011 0.00016 0.00000 -0.00002 -0.00002 195 4XZ 0.00007 0.00012 0.00000 0.00000 0.00000 196 4YZ 0.00007 0.00007 -0.00001 -0.00001 0.00000 197 21 H 1S -0.00397 -0.00019 0.00000 0.00005 0.00000 198 2S -0.01230 -0.00043 -0.00005 0.00038 -0.00007 199 22 C 1S 0.00002 0.00016 0.00000 0.00000 0.00000 200 2S -0.00055 -0.00228 0.00000 0.00000 0.00003 201 2PX 0.00007 0.00192 -0.00001 -0.00001 0.00008 202 2PY -0.00017 -0.00040 0.00000 0.00000 0.00000 203 2PZ -0.00218 -0.00226 0.00001 -0.00002 0.00007 204 3S 0.00269 -0.00646 -0.00006 -0.00011 0.00039 205 3PX 0.00075 0.00292 -0.00015 -0.00013 0.00055 206 3PY -0.00279 0.00054 -0.00002 0.00003 -0.00007 207 3PZ -0.00057 -0.00267 0.00006 -0.00015 0.00028 208 4XX 0.00005 0.00019 0.00000 0.00000 0.00000 209 4YY -0.00002 -0.00011 0.00000 0.00000 0.00000 210 4ZZ 0.00005 0.00011 0.00000 0.00000 0.00000 211 4XY -0.00001 0.00005 0.00000 0.00000 0.00000 212 4XZ 0.00006 0.00012 0.00000 0.00000 0.00000 213 4YZ -0.00007 0.00003 0.00000 0.00000 0.00000 214 23 H 1S 0.00010 0.00006 0.00000 0.00000 0.00000 215 2S 0.00120 0.00101 0.00000 0.00000 -0.00002 141 142 143 144 145 141 4XY 0.00095 142 4XZ 0.00000 0.00079 143 4YZ 0.00000 0.00000 0.00076 144 14 H 1S 0.00002 0.00181 0.00000 0.20968 145 2S 0.00000 0.00041 0.00000 0.10494 0.14408 146 15 H 1S 0.00000 0.00008 0.00000 -0.00048 -0.00724 147 2S 0.00000 0.00002 0.00000 -0.00717 -0.01938 148 16 C 1S -0.00006 -0.00002 -0.00003 0.00000 0.00017 149 2S 0.00112 0.00030 0.00055 -0.00015 -0.00292 150 2PX -0.00003 0.00005 0.00078 -0.00010 -0.00323 151 2PY 0.00105 0.00058 0.00052 -0.00011 -0.00158 152 2PZ 0.00074 0.00002 0.00005 -0.00002 -0.00014 153 3S 0.00059 0.00013 0.00025 -0.00199 -0.00750 154 3PX 0.00005 -0.00001 0.00026 -0.00127 -0.00584 155 3PY 0.00005 0.00009 0.00003 -0.00048 -0.00167 156 3PZ 0.00028 0.00005 0.00021 -0.00014 -0.00018 157 4XX 0.00001 -0.00002 -0.00002 0.00008 0.00076 158 4YY -0.00006 0.00002 -0.00004 -0.00001 -0.00026 159 4ZZ -0.00002 0.00000 0.00000 0.00000 -0.00002 160 4XY 0.00002 0.00000 0.00003 0.00002 0.00000 161 4XZ 0.00001 0.00000 0.00000 0.00000 -0.00002 162 4YZ 0.00002 0.00000 0.00000 0.00000 -0.00001 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00009 164 2S -0.00011 -0.00001 -0.00003 -0.00005 -0.00030 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00001 0.00001 0.00000 -0.00007 167 2PX 0.00000 0.00002 0.00003 -0.00001 -0.00009 168 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 169 2PZ 0.00001 0.00007 0.00003 0.00000 -0.00009 170 3S 0.00005 0.00000 0.00002 0.00003 0.00058 171 3PX -0.00001 0.00002 0.00007 -0.00070 0.00046 172 3PY -0.00004 -0.00002 0.00000 0.00001 -0.00005 173 3PZ 0.00005 0.00009 0.00000 0.00009 -0.00045 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00014 182 20 C 1S -0.00005 -0.00001 -0.00003 0.00000 0.00016 183 2S 0.00096 0.00025 0.00064 -0.00015 -0.00292 184 2PX -0.00007 0.00001 0.00072 -0.00008 -0.00296 185 2PY 0.00112 0.00053 0.00072 -0.00014 -0.00197 186 2PZ 0.00067 0.00001 0.00004 -0.00002 -0.00014 187 3S 0.00050 0.00011 0.00030 -0.00189 -0.00697 188 3PX 0.00011 0.00000 0.00024 -0.00129 -0.00602 189 3PY 0.00006 0.00008 0.00005 -0.00060 -0.00218 190 3PZ 0.00026 0.00003 0.00022 -0.00014 -0.00012 191 4XX 0.00001 -0.00001 -0.00002 0.00007 0.00073 192 4YY -0.00007 0.00002 -0.00004 -0.00001 -0.00026 193 4ZZ -0.00001 0.00000 0.00000 0.00000 -0.00003 194 4XY 0.00002 0.00000 0.00003 0.00003 0.00004 195 4XZ 0.00001 0.00000 0.00000 0.00000 -0.00002 196 4YZ 0.00003 0.00000 0.00000 0.00000 -0.00001 197 21 H 1S -0.00001 0.00000 0.00000 0.00000 -0.00007 198 2S -0.00009 0.00000 -0.00003 -0.00004 -0.00027 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00001 0.00001 0.00000 -0.00008 201 2PX -0.00001 0.00002 0.00003 -0.00001 -0.00013 202 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 203 2PZ 0.00001 0.00006 0.00003 0.00000 -0.00008 204 3S 0.00005 0.00000 0.00002 0.00003 0.00064 205 3PX -0.00001 0.00001 0.00007 -0.00071 0.00024 206 3PY -0.00003 -0.00002 0.00000 0.00000 -0.00003 207 3PZ 0.00006 0.00008 0.00000 0.00010 -0.00036 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00003 213 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00014 146 147 148 149 150 146 15 H 1S 0.21392 147 2S 0.10824 0.14869 148 16 C 1S 0.00000 0.00012 2.05558 149 2S -0.00009 -0.00185 -0.01348 0.32833 150 2PX -0.00010 -0.00100 0.00000 0.00000 0.32200 151 2PY -0.00009 -0.00141 0.00000 0.00000 0.00000 152 2PZ -0.00020 -0.00399 0.00000 0.00000 0.00000 153 3S -0.00224 -0.01024 -0.03911 0.25812 0.00000 154 3PX -0.00062 -0.00104 0.00000 0.00000 0.09744 155 3PY -0.00098 -0.00401 0.00000 0.00000 0.00000 156 3PZ -0.00136 -0.00546 0.00000 0.00000 0.00000 157 4XX 0.00000 -0.00016 -0.00093 -0.00835 0.00000 158 4YY -0.00001 -0.00024 -0.00148 0.00211 0.00000 159 4ZZ 0.00004 0.00069 -0.00105 -0.00566 0.00000 160 4XY 0.00000 -0.00004 0.00000 0.00000 0.00000 161 4XZ 0.00002 0.00003 0.00000 0.00000 0.00000 162 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 -0.00013 -0.00220 0.03396 0.00232 164 2S -0.00013 -0.00075 -0.00150 0.01424 0.00167 165 18 C 1S 0.00000 0.00000 0.00000 -0.00031 -0.00016 166 2S 0.00000 0.00016 -0.00034 0.00771 0.00266 167 2PX 0.00000 0.00025 -0.00010 0.00196 0.00522 168 2PY 0.00000 -0.00001 -0.00023 0.00441 0.00117 169 2PZ 0.00000 0.00022 -0.00166 0.02779 0.01257 170 3S 0.00011 0.00171 0.00081 0.00282 0.00389 171 3PX 0.00010 0.00183 0.00026 -0.00084 0.01167 172 3PY -0.00003 -0.00021 -0.00027 0.00188 0.00046 173 3PZ 0.00014 0.00103 -0.00034 0.01307 0.00629 174 4XX 0.00000 -0.00001 0.00000 -0.00019 0.00003 175 4YY 0.00000 0.00000 0.00001 -0.00046 -0.00012 176 4ZZ 0.00000 -0.00002 -0.00011 0.00202 0.00063 177 4XY 0.00000 0.00000 -0.00001 0.00009 0.00005 178 4XZ 0.00000 0.00000 -0.00003 0.00043 0.00055 179 4YZ 0.00000 0.00000 -0.00006 0.00075 0.00022 180 19 H 1S 0.00000 0.00000 0.00000 -0.00013 -0.00006 181 2S 0.00000 -0.00010 0.00019 -0.00270 -0.00107 182 20 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 183 2S -0.00009 -0.00189 0.00000 -0.00019 0.00001 184 2PX -0.00009 -0.00081 0.00000 -0.00001 -0.00027 185 2PY -0.00010 -0.00155 0.00000 -0.00056 -0.00001 186 2PZ -0.00021 -0.00402 0.00000 0.00000 0.00000 187 3S -0.00229 -0.01039 0.00018 -0.00235 0.00013 188 3PX -0.00048 -0.00063 0.00001 -0.00006 -0.00316 189 3PY -0.00107 -0.00422 0.00031 -0.00298 -0.00009 190 3PZ -0.00139 -0.00546 0.00000 0.00000 0.00000 191 4XX 0.00000 -0.00014 0.00000 0.00000 0.00000 192 4YY -0.00001 -0.00027 0.00000 0.00010 0.00001 193 4ZZ 0.00004 0.00070 0.00000 0.00000 0.00000 194 4XY 0.00000 -0.00003 0.00000 0.00000 0.00001 195 4XZ 0.00002 0.00003 0.00000 0.00000 0.00000 196 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00015 0.00000 0.00000 0.00000 198 2S -0.00014 -0.00078 0.00000 0.00017 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00016 0.00000 -0.00020 0.00000 201 2PX 0.00000 0.00025 0.00000 -0.00003 -0.00004 202 2PY 0.00000 0.00000 0.00000 -0.00041 -0.00008 203 2PZ 0.00000 0.00022 0.00000 -0.00019 0.00002 204 3S 0.00011 0.00171 0.00005 -0.00242 -0.00010 205 3PX 0.00010 0.00179 0.00001 -0.00014 -0.00095 206 3PY -0.00003 -0.00016 0.00007 -0.00235 -0.00051 207 3PZ 0.00013 0.00100 -0.00004 -0.00043 -0.00006 208 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00003 0.00000 210 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00006 0.00002 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00010 0.00000 0.00017 0.00001 151 152 153 154 155 151 2PY 0.42719 152 2PZ 0.00000 0.39017 153 3S 0.00000 0.00000 0.36226 154 3PX 0.00000 0.00000 0.00000 0.10222 155 3PY 0.07992 0.00000 0.00000 0.00000 0.05806 156 3PZ 0.00000 0.10264 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00616 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00323 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00578 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.09392 0.00490 0.04927 0.00176 0.04060 164 2S 0.05429 0.00191 0.02637 0.00210 0.03414 165 18 C 1S -0.00018 -0.00163 -0.00037 -0.00010 -0.00033 166 2S 0.00276 0.02919 0.01008 0.00074 0.00384 167 2PX 0.00024 0.01508 -0.00178 0.01155 -0.00100 168 2PY -0.00076 0.01448 0.00190 0.00060 0.00308 169 2PZ 0.00935 0.04989 0.03754 0.00606 0.00632 170 3S 0.00586 0.01379 -0.01193 0.00337 0.00394 171 3PX -0.00017 0.00731 -0.00836 0.01989 -0.00149 172 3PY 0.00390 0.01070 -0.00017 -0.00002 0.00578 173 3PZ 0.00465 0.00547 0.02071 0.00531 0.00333 174 4XX -0.00005 -0.00042 -0.00060 -0.00021 -0.00017 175 4YY 0.00002 -0.00091 -0.00116 -0.00017 -0.00026 176 4ZZ 0.00112 0.00029 0.00262 0.00055 0.00041 177 4XY 0.00004 0.00026 0.00009 0.00009 -0.00003 178 4XZ 0.00025 0.00061 0.00009 0.00049 0.00002 179 4YZ 0.00030 0.00111 0.00051 0.00004 0.00015 180 19 H 1S 0.00000 -0.00046 -0.00347 -0.00025 0.00013 181 2S -0.00011 -0.00789 -0.01395 -0.00090 0.00028 182 20 C 1S 0.00000 0.00000 0.00018 -0.00001 0.00032 183 2S -0.00057 0.00000 -0.00230 0.00004 -0.00302 184 2PX 0.00000 0.00000 -0.00015 -0.00315 0.00005 185 2PY -0.00120 0.00000 -0.00443 -0.00014 -0.00143 186 2PZ 0.00000 -0.00018 0.00002 0.00000 0.00002 187 3S -0.00469 -0.00002 -0.00593 0.00034 -0.00490 188 3PX 0.00009 0.00000 -0.00039 -0.00988 0.00013 189 3PY -0.00155 -0.00002 -0.00429 -0.00020 0.00225 190 3PZ -0.00002 -0.00286 0.00002 0.00000 0.00001 191 4XX -0.00002 0.00000 -0.00007 0.00000 -0.00011 192 4YY 0.00041 0.00000 0.00077 0.00002 0.00107 193 4ZZ -0.00002 0.00000 -0.00023 -0.00001 -0.00040 194 4XY 0.00000 0.00000 0.00001 -0.00001 0.00001 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00012 0.00001 0.00012 198 2S 0.00052 0.00002 0.00177 0.00000 0.00204 199 22 C 1S 0.00000 0.00000 0.00008 0.00000 0.00004 200 2S -0.00039 -0.00027 -0.00230 0.00009 -0.00156 201 2PX -0.00003 -0.00003 -0.00101 -0.00086 -0.00123 202 2PY -0.00040 -0.00062 -0.00119 -0.00054 0.00204 203 2PZ -0.00033 -0.00002 -0.00280 0.00006 -0.00057 204 3S -0.00775 0.00235 -0.00667 -0.00073 -0.01058 205 3PX -0.00005 0.00010 -0.00230 -0.00365 -0.00204 206 3PY -0.00412 0.00108 -0.00181 -0.00127 -0.00054 207 3PZ -0.00193 0.00139 -0.00214 -0.00044 -0.00042 208 4XX 0.00000 -0.00001 0.00004 0.00001 -0.00005 209 4YY 0.00007 0.00007 0.00031 -0.00001 0.00030 210 4ZZ 0.00000 0.00001 -0.00004 -0.00001 -0.00006 211 4XY 0.00000 0.00003 -0.00001 0.00012 -0.00002 212 4XZ 0.00000 0.00000 0.00000 -0.00003 -0.00001 213 4YZ 0.00011 0.00010 0.00034 0.00005 0.00021 214 23 H 1S 0.00000 0.00000 0.00013 0.00001 0.00003 215 2S 0.00018 0.00037 0.00184 0.00003 0.00060 156 157 158 159 160 156 3PZ 0.10099 157 4XX 0.00000 0.00129 158 4YY 0.00000 -0.00016 0.00175 159 4ZZ 0.00000 0.00007 -0.00029 0.00142 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00067 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00178 -0.00105 0.00621 -0.00125 0.00050 164 2S -0.00035 -0.00203 0.00525 -0.00229 0.00010 165 18 C 1S -0.00135 0.00001 0.00001 -0.00013 0.00000 166 2S 0.01890 -0.00038 -0.00049 0.00229 0.00007 167 2PX 0.00939 0.00003 -0.00015 0.00111 0.00005 168 2PY 0.00759 -0.00007 0.00001 0.00094 0.00004 169 2PZ 0.01081 -0.00076 -0.00075 0.00022 0.00025 170 3S -0.00605 0.00019 -0.00228 0.00322 0.00001 171 3PX 0.00729 -0.00022 -0.00032 0.00098 0.00006 172 3PY 0.00902 -0.00032 -0.00017 0.00064 -0.00001 173 3PZ 0.00008 0.00001 -0.00098 -0.00015 0.00003 174 4XX 0.00014 0.00000 0.00001 -0.00004 0.00000 175 4YY -0.00096 0.00000 0.00002 -0.00004 0.00000 176 4ZZ -0.00018 -0.00001 -0.00007 0.00000 -0.00001 177 4XY 0.00009 0.00000 0.00000 -0.00003 0.00000 178 4XZ 0.00008 0.00001 0.00000 0.00003 0.00001 179 4YZ 0.00013 -0.00003 0.00000 -0.00001 -0.00001 180 19 H 1S -0.00419 0.00000 0.00000 0.00003 0.00000 181 2S -0.01523 0.00020 -0.00004 0.00004 0.00001 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00010 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 185 2PY 0.00002 -0.00002 0.00042 -0.00002 0.00000 186 2PZ -0.00286 0.00000 0.00000 0.00000 0.00000 187 3S -0.00002 -0.00007 0.00078 -0.00023 0.00000 188 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 189 3PY -0.00001 -0.00012 0.00111 -0.00041 -0.00001 190 3PZ -0.01056 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ -0.00009 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 198 2S 0.00019 0.00001 -0.00004 0.00000 0.00000 199 22 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 200 2S -0.00224 0.00000 0.00004 0.00000 0.00001 201 2PX -0.00056 0.00000 -0.00001 0.00002 0.00000 202 2PY -0.00319 -0.00001 0.00010 0.00000 0.00002 203 2PZ -0.00047 0.00000 0.00005 -0.00001 0.00001 204 3S 0.00708 -0.00014 0.00036 0.00007 0.00004 205 3PX -0.00066 -0.00001 -0.00012 0.00016 0.00002 206 3PY 0.00290 -0.00022 0.00055 -0.00008 0.00003 207 3PZ 0.00014 -0.00011 0.00012 0.00000 0.00002 208 4XX -0.00010 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00014 0.00000 -0.00001 0.00000 0.00000 210 4ZZ 0.00015 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00009 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00012 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00022 0.00000 0.00000 0.00000 0.00000 215 2S 0.00263 0.00000 -0.00001 0.00000 0.00000 161 162 163 164 165 161 4XZ 0.00078 162 4YZ 0.00000 0.00085 163 17 H 1S 0.00000 0.00071 0.21481 164 2S 0.00000 0.00014 0.10141 0.13510 165 18 C 1S -0.00003 -0.00005 0.00000 0.00011 2.05365 166 2S 0.00045 0.00069 -0.00011 -0.00158 -0.01383 167 2PX 0.00062 0.00027 -0.00003 -0.00042 0.00000 168 2PY 0.00012 0.00040 -0.00023 -0.00370 0.00000 169 2PZ 0.00072 0.00119 -0.00023 -0.00251 0.00000 170 3S 0.00016 0.00013 -0.00367 -0.01395 -0.03160 171 3PX 0.00079 0.00003 -0.00038 -0.00123 0.00000 172 3PY 0.00001 0.00008 0.00010 -0.00033 0.00000 173 3PZ 0.00009 0.00005 -0.00247 -0.00613 0.00000 174 4XX 0.00000 -0.00002 0.00000 0.00004 -0.00094 175 4YY -0.00001 0.00000 0.00003 0.00051 -0.00139 176 4ZZ 0.00003 -0.00007 -0.00001 -0.00040 -0.00140 177 4XY -0.00002 0.00000 0.00001 0.00005 0.00000 178 4XZ -0.00002 -0.00001 0.00000 -0.00002 0.00000 179 4YZ -0.00003 -0.00003 0.00003 0.00010 0.00000 180 19 H 1S 0.00001 0.00001 0.00000 -0.00037 -0.00221 181 2S 0.00003 0.00004 -0.00037 -0.00233 -0.00137 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00017 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00052 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00002 0.00000 187 3S 0.00000 0.00000 0.00012 0.00176 0.00008 188 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 189 3PY 0.00000 0.00000 0.00013 0.00206 0.00004 190 3PZ 0.00000 -0.00009 0.00002 0.00020 0.00009 191 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 192 4YY 0.00000 0.00000 0.00000 -0.00004 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00014 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00004 0.00000 0.00015 -0.00061 201 2PX 0.00002 0.00000 0.00000 -0.00004 0.00000 202 2PY 0.00000 0.00018 0.00000 0.00045 -0.00306 203 2PZ 0.00001 0.00002 0.00000 0.00011 0.00000 204 3S -0.00001 0.00023 0.00018 0.00237 0.00000 205 3PX 0.00017 0.00000 -0.00003 -0.00040 0.00000 206 3PY -0.00002 0.00024 0.00032 0.00322 -0.00130 207 3PZ 0.00002 0.00004 0.00004 0.00069 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00001 0.00000 -0.00002 -0.00029 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 -0.00009 0.00019 166 167 168 169 170 166 2S 0.32841 167 2PX 0.00000 0.35420 168 2PY 0.00000 0.00000 0.42132 169 2PZ 0.00000 0.00000 0.00000 0.39541 170 3S 0.21248 0.00000 0.00000 0.00000 0.28055 171 3PX 0.00000 0.12697 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.07627 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.07031 0.00000 174 4XX -0.00966 0.00000 0.00000 0.00000 -0.00655 175 4YY -0.00113 0.00000 0.00000 0.00000 -0.00092 176 4ZZ -0.00143 0.00000 0.00000 0.00000 0.00019 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.03347 0.01144 0.03521 0.05363 0.05168 181 2S 0.01247 0.00715 0.02030 0.03283 0.04332 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 183 2S -0.00020 -0.00005 -0.00040 -0.00018 -0.00243 184 2PX 0.00000 -0.00002 -0.00012 0.00003 -0.00031 185 2PY -0.00039 -0.00007 -0.00035 -0.00033 -0.00760 186 2PZ -0.00027 -0.00005 -0.00059 -0.00002 0.00236 187 3S -0.00235 -0.00146 -0.00079 -0.00282 -0.00651 188 3PX 0.00008 -0.00061 -0.00077 0.00005 -0.00130 189 3PY -0.00154 -0.00168 0.00247 -0.00061 -0.01003 190 3PZ -0.00219 -0.00086 -0.00284 -0.00043 0.00706 191 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00012 192 4YY 0.00003 -0.00001 0.00010 0.00005 0.00032 193 4ZZ 0.00000 0.00002 -0.00001 -0.00001 0.00007 194 4XY 0.00001 0.00000 0.00003 0.00002 0.00007 195 4XZ 0.00000 0.00001 0.00001 0.00001 -0.00001 196 4YZ 0.00004 0.00001 0.00018 0.00002 0.00024 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00018 198 2S 0.00016 -0.00005 0.00046 0.00010 0.00237 199 22 C 1S -0.00061 0.00000 -0.00305 0.00000 -0.00001 200 2S 0.01190 0.00000 0.04390 0.00001 0.01195 201 2PX 0.00012 0.02453 0.00047 0.00000 -0.00045 202 2PY 0.04378 0.00020 0.10104 0.00002 0.03203 203 2PZ -0.00001 0.00000 -0.00001 0.00621 0.00001 204 3S 0.01175 0.00055 0.03071 -0.00001 -0.01526 205 3PX 0.00002 0.03833 0.00036 0.00000 -0.00075 206 3PY 0.02139 0.00029 0.01627 0.00000 0.00523 207 3PZ 0.00000 0.00000 -0.00002 0.01274 0.00000 208 4XX -0.00044 0.00000 -0.00094 0.00000 -0.00060 209 4YY 0.00364 0.00004 0.00219 0.00000 0.00343 210 4ZZ -0.00064 -0.00001 -0.00153 0.00000 -0.00209 211 4XY 0.00001 0.00236 0.00004 0.00000 0.00002 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00226 0.00000 214 23 H 1S -0.00015 -0.00001 -0.00052 -0.00008 -0.00385 215 2S -0.00245 -0.00021 -0.00727 -0.00161 -0.01486 171 172 173 174 175 171 3PX 0.15002 172 3PY 0.00000 0.05595 173 3PZ 0.00000 0.00000 0.05495 174 4XX 0.00000 0.00000 0.00000 0.00080 175 4YY 0.00000 0.00000 0.00000 0.00003 0.00099 176 4ZZ 0.00000 0.00000 0.00000 0.00007 -0.00017 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00537 0.01333 0.02011 -0.00060 -0.00025 181 2S 0.00513 0.00897 0.01558 -0.00015 -0.00024 182 20 C 1S 0.00001 0.00006 -0.00005 0.00000 0.00000 183 2S -0.00029 -0.00223 -0.00038 0.00000 0.00003 184 2PX -0.00076 -0.00090 -0.00012 0.00000 0.00001 185 2PY -0.00028 -0.00380 -0.00181 0.00000 0.00006 186 2PZ 0.00016 0.00107 0.00134 0.00000 0.00006 187 3S -0.00329 -0.00073 -0.00211 0.00003 0.00032 188 3PX -0.00300 -0.00198 -0.00067 0.00001 0.00002 189 3PY -0.00298 0.00016 -0.00027 -0.00006 0.00031 190 3PZ -0.00095 0.00323 0.00006 -0.00005 0.00006 191 4XX -0.00001 -0.00019 -0.00009 0.00000 0.00000 192 4YY -0.00013 0.00054 0.00009 0.00000 -0.00001 193 4ZZ 0.00021 -0.00014 0.00000 0.00000 0.00000 194 4XY 0.00002 0.00005 0.00003 0.00000 0.00000 195 4XZ 0.00015 0.00000 0.00002 0.00000 0.00000 196 4YZ 0.00003 0.00023 0.00003 0.00000 0.00000 197 21 H 1S -0.00003 0.00032 0.00004 0.00000 0.00000 198 2S -0.00046 0.00334 0.00065 0.00000 -0.00002 199 22 C 1S -0.00001 -0.00132 0.00000 0.00000 -0.00029 200 2S 0.00004 0.02165 -0.00001 -0.00044 0.00365 201 2PX 0.03865 0.00002 0.00000 0.00000 0.00001 202 2PY -0.00005 0.01670 0.00002 -0.00095 0.00224 203 2PZ 0.00000 0.00000 0.01279 0.00000 0.00000 204 3S 0.00080 0.00354 0.00000 -0.00069 0.00351 205 3PX 0.06600 0.00011 0.00000 0.00000 0.00003 206 3PY 0.00015 0.00137 0.00002 -0.00053 0.00071 207 3PZ 0.00000 -0.00002 0.01421 0.00000 0.00000 208 4XX -0.00001 -0.00044 0.00000 0.00002 -0.00006 209 4YY 0.00000 0.00066 0.00000 -0.00006 -0.00007 210 4ZZ 0.00000 -0.00183 0.00000 0.00001 -0.00002 211 4XY 0.00142 0.00001 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00050 0.00000 0.00000 214 23 H 1S 0.00001 -0.00393 0.00015 0.00000 0.00001 215 2S -0.00017 -0.01312 -0.00005 0.00011 -0.00027 176 177 178 179 180 176 4ZZ 0.00107 177 4XY 0.00000 0.00079 178 4XZ 0.00000 0.00000 0.00062 179 4YZ 0.00000 0.00000 0.00000 0.00146 180 19 H 1S 0.00114 0.00070 0.00087 0.00335 0.21503 181 2S 0.00142 0.00014 0.00014 0.00069 0.10498 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00005 0.00000 184 2PX 0.00000 0.00001 0.00000 0.00003 0.00000 185 2PY 0.00000 0.00001 0.00001 0.00010 0.00000 186 2PZ 0.00001 0.00005 0.00000 0.00009 0.00000 187 3S -0.00005 -0.00001 0.00001 0.00033 0.00013 188 3PX -0.00002 0.00010 -0.00003 0.00007 0.00002 189 3PY -0.00007 -0.00001 -0.00001 0.00019 0.00003 190 3PZ 0.00014 0.00012 0.00000 0.00011 0.00022 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S -0.00064 0.00001 0.00000 0.00000 -0.00015 201 2PX 0.00000 0.00237 0.00000 0.00000 -0.00002 202 2PY -0.00153 0.00001 0.00000 0.00000 -0.00051 203 2PZ 0.00000 0.00000 0.00000 0.00226 -0.00008 204 3S -0.00206 -0.00001 0.00000 0.00000 -0.00383 205 3PX 0.00000 0.00142 0.00000 0.00000 -0.00004 206 3PY -0.00181 -0.00001 0.00000 0.00000 -0.00385 207 3PZ 0.00000 0.00000 0.00000 0.00049 0.00015 208 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 209 4YY -0.00002 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00002 0.00000 0.00000 0.00001 212 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 -0.00026 0.00005 214 23 H 1S 0.00000 0.00001 0.00000 0.00005 0.00000 215 2S 0.00023 0.00004 0.00000 0.00024 -0.00041 181 182 183 184 185 181 2S 0.13957 182 20 C 1S 0.00000 2.05563 183 2S 0.00017 -0.01358 0.32947 184 2PX 0.00002 0.00000 0.00000 0.32052 185 2PY 0.00017 0.00000 0.00000 0.00000 0.42814 186 2PZ 0.00036 0.00000 0.00000 0.00000 0.00000 187 3S 0.00187 -0.03893 0.25759 0.00000 0.00000 188 3PX 0.00007 0.00000 0.00000 0.09912 0.00000 189 3PY 0.00057 0.00000 0.00000 0.00000 0.07815 190 3PZ 0.00260 0.00000 0.00000 0.00000 0.00000 191 4XX -0.00001 -0.00093 -0.00854 0.00000 0.00000 192 4YY -0.00001 -0.00148 0.00211 0.00000 0.00000 193 4ZZ 0.00000 -0.00105 -0.00567 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00221 0.03418 0.00421 0.09173 198 2S -0.00010 -0.00152 0.01444 0.00288 0.05276 199 22 C 1S 0.00018 0.00000 -0.00032 -0.00020 -0.00016 200 2S -0.00244 -0.00035 0.00786 0.00316 0.00240 201 2PX -0.00043 -0.00013 0.00256 0.00454 0.00053 202 2PY -0.00703 -0.00022 0.00407 0.00157 -0.00070 203 2PZ -0.00158 -0.00168 0.02797 0.01472 0.00789 204 3S -0.01478 0.00082 0.00281 0.00466 0.00523 205 3PX -0.00042 0.00026 -0.00072 0.01137 -0.00008 206 3PY -0.01267 -0.00028 0.00190 0.00063 0.00417 207 3PZ -0.00005 -0.00034 0.01306 0.00731 0.00393 208 4XX 0.00014 0.00000 -0.00017 0.00002 -0.00005 209 4YY -0.00030 0.00001 -0.00048 -0.00015 0.00003 210 4ZZ 0.00023 -0.00011 0.00201 0.00079 0.00100 211 4XY 0.00005 -0.00001 0.00009 0.00004 0.00006 212 4XZ 0.00001 -0.00004 0.00054 0.00043 0.00028 213 4YZ 0.00023 -0.00005 0.00067 0.00024 0.00038 214 23 H 1S -0.00041 0.00000 -0.00013 -0.00006 0.00000 215 2S -0.00274 0.00019 -0.00272 -0.00103 -0.00017 186 187 188 189 190 186 2PZ 0.39027 187 3S 0.00000 0.35868 188 3PX 0.00000 0.00000 0.10525 189 3PY 0.00000 0.00000 0.00000 0.05547 190 3PZ 0.10248 0.00000 0.00000 0.00000 0.10092 191 4XX 0.00000 -0.00611 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00304 0.00000 0.00000 0.00000 193 4ZZ 0.00000 -0.00574 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00535 0.04956 0.00283 0.03889 0.00195 198 2S 0.00210 0.02685 0.00323 0.03249 -0.00031 199 22 C 1S -0.00164 -0.00037 -0.00013 -0.00029 -0.00134 200 2S 0.02932 0.01026 0.00102 0.00357 0.01888 201 2PX 0.01778 -0.00161 0.01132 -0.00093 0.01074 202 2PY 0.01244 0.00198 0.00080 0.00321 0.00630 203 2PZ 0.04921 0.03751 0.00714 0.00549 0.01043 204 3S 0.01356 -0.01212 0.00406 0.00348 -0.00634 205 3PX 0.00880 -0.00884 0.02034 -0.00143 0.00843 206 3PY 0.00940 0.00063 0.00014 0.00526 0.00778 207 3PZ 0.00513 0.02053 0.00613 0.00279 0.00005 208 4XX -0.00036 -0.00044 -0.00027 -0.00012 0.00033 209 4YY -0.00095 -0.00131 -0.00019 -0.00024 -0.00108 210 4ZZ 0.00024 0.00258 0.00065 0.00034 -0.00023 211 4XY 0.00025 0.00009 0.00007 -0.00003 0.00009 212 4XZ 0.00076 0.00013 0.00045 0.00002 0.00010 213 4YZ 0.00100 0.00047 0.00004 0.00017 0.00012 214 23 H 1S -0.00047 -0.00350 -0.00029 0.00017 -0.00419 215 2S -0.00790 -0.01410 -0.00095 0.00036 -0.01522 191 192 193 194 195 191 4XX 0.00123 192 4YY -0.00014 0.00170 193 4ZZ 0.00007 -0.00029 0.00141 194 4XY 0.00000 0.00000 0.00000 0.00072 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00076 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00102 0.00578 -0.00125 0.00081 0.00001 198 2S -0.00180 0.00493 -0.00226 0.00016 0.00000 199 22 C 1S 0.00001 0.00001 -0.00013 -0.00001 -0.00004 200 2S -0.00036 -0.00050 0.00227 0.00007 0.00055 201 2PX 0.00002 -0.00019 0.00128 0.00004 0.00050 202 2PY -0.00006 0.00003 0.00079 0.00006 0.00013 203 2PZ -0.00071 -0.00079 0.00016 0.00026 0.00087 204 3S 0.00022 -0.00228 0.00319 -0.00001 0.00018 205 3PX -0.00027 -0.00034 0.00111 0.00005 0.00073 206 3PY -0.00025 -0.00015 0.00051 -0.00002 0.00002 207 3PZ 0.00009 -0.00101 -0.00018 0.00002 0.00010 208 4XX 0.00000 0.00001 -0.00005 0.00000 0.00000 209 4YY 0.00000 0.00002 -0.00004 0.00000 -0.00001 210 4ZZ -0.00001 -0.00006 0.00000 -0.00002 0.00003 211 4XY 0.00000 0.00000 -0.00003 0.00000 -0.00001 212 4XZ 0.00001 0.00000 0.00003 0.00001 -0.00002 213 4YZ -0.00002 0.00000 -0.00001 -0.00001 -0.00002 214 23 H 1S 0.00000 0.00000 0.00003 0.00000 0.00001 215 2S 0.00017 -0.00002 0.00005 0.00001 0.00001 196 197 198 199 200 196 4YZ 0.00087 197 21 H 1S 0.00077 0.21475 198 2S 0.00015 0.10108 0.13419 199 22 C 1S -0.00004 0.00000 0.00011 2.05362 200 2S 0.00061 -0.00011 -0.00158 -0.01383 0.32857 201 2PX 0.00029 -0.00004 -0.00060 0.00000 0.00000 202 2PY 0.00049 -0.00022 -0.00355 0.00000 0.00000 203 2PZ 0.00105 -0.00023 -0.00253 0.00000 0.00000 204 3S 0.00010 -0.00365 -0.01385 -0.03152 0.21147 205 3PX 0.00005 -0.00043 -0.00140 0.00000 0.00000 206 3PY 0.00010 0.00015 -0.00019 0.00000 0.00000 207 3PZ 0.00004 -0.00247 -0.00616 0.00000 0.00000 208 4XX -0.00002 0.00000 0.00006 -0.00093 -0.00983 209 4YY 0.00000 0.00003 0.00048 -0.00140 -0.00096 210 4ZZ -0.00007 -0.00001 -0.00040 -0.00140 -0.00144 211 4XY -0.00001 0.00001 0.00006 0.00000 0.00000 212 4XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 213 4YZ -0.00004 0.00003 0.00010 0.00000 0.00000 214 23 H 1S 0.00001 0.00000 -0.00037 -0.00221 0.03344 215 2S 0.00006 -0.00037 -0.00234 -0.00136 0.01237 201 202 203 204 205 201 2PX 0.35391 202 2PY 0.00000 0.42142 203 2PZ 0.00000 0.00000 0.39562 204 3S 0.00000 0.00000 0.00000 0.27873 205 3PX 0.12736 0.00000 0.00000 0.00000 0.15047 206 3PY 0.00000 0.07469 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.06990 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 -0.00697 0.00000 209 4YY 0.00000 0.00000 0.00000 -0.00051 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00025 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00871 0.03772 0.05386 0.05184 0.00416 215 2S 0.00548 0.02189 0.03300 0.04377 0.00405 206 207 208 209 210 206 3PY 0.05351 207 3PZ 0.00000 0.05419 208 4XX 0.00000 0.00000 0.00084 209 4YY 0.00000 0.00000 0.00002 0.00099 210 4ZZ 0.00000 0.00000 0.00006 -0.00016 0.00108 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.01433 0.02011 -0.00068 -0.00009 0.00116 215 2S 0.00985 0.01554 -0.00040 0.00000 0.00147 211 212 213 214 215 211 4XY 0.00077 212 4XZ 0.00000 0.00058 213 4YZ 0.00000 0.00000 0.00150 214 23 H 1S 0.00060 0.00064 0.00358 0.21506 215 2S 0.00013 0.00009 0.00073 0.10509 0.13987 Gross orbital populations: 1 1 1 C 1S 1.99200 2 2S 0.71646 3 2PX 0.65131 4 2PY 0.78760 5 2PZ 0.61923 6 3S 0.56816 7 3PX 0.31070 8 3PY 0.17344 9 3PZ 0.33701 10 4XX -0.00769 11 4YY 0.00440 12 4ZZ -0.01268 13 4XY 0.01092 14 4XZ 0.00480 15 4YZ 0.00943 16 2 C 1S 1.99241 17 2S 0.72890 18 2PX 0.64028 19 2PY 0.74323 20 2PZ 0.59010 21 3S 0.38707 22 3PX 0.16277 23 3PY 0.02457 24 3PZ 0.21059 25 4XX -0.01243 26 4YY 0.01196 27 4ZZ -0.01829 28 4XY 0.03153 29 4XZ 0.00519 30 4YZ 0.02707 31 3 C 1S 1.99275 32 2S 0.68998 33 2PX 0.63534 34 2PY 0.73508 35 2PZ 0.68011 36 3S 0.61993 37 3PX 0.33408 38 3PY 0.20722 39 3PZ 0.33449 40 4XX -0.01125 41 4YY 0.00111 42 4ZZ -0.00135 43 4XY 0.00788 44 4XZ 0.00538 45 4YZ 0.00939 46 4 C 1S 1.99273 47 2S 0.69091 48 2PX 0.63287 49 2PY 0.73657 50 2PZ 0.68035 51 3S 0.61866 52 3PX 0.34138 53 3PY 0.20267 54 3PZ 0.33477 55 4XX -0.01207 56 4YY 0.00122 57 4ZZ -0.00156 58 4XY 0.00802 59 4XZ 0.00535 60 4YZ 0.00926 61 5 C 1S 1.99241 62 2S 0.72856 63 2PX 0.63790 64 2PY 0.74498 65 2PZ 0.59200 66 3S 0.38611 67 3PX 0.16545 68 3PY 0.02225 69 3PZ 0.21038 70 4XX -0.01302 71 4YY 0.01211 72 4ZZ -0.01822 73 4XY 0.03180 74 4XZ 0.00503 75 4YZ 0.02738 76 6 C 1S 1.99200 77 2S 0.71679 78 2PX 0.65008 79 2PY 0.78874 80 2PZ 0.61827 81 3S 0.56891 82 3PX 0.30929 83 3PY 0.17390 84 3PZ 0.33715 85 4XX -0.00821 86 4YY 0.00493 87 4ZZ -0.01269 88 4XY 0.01094 89 4XZ 0.00474 90 4YZ 0.00950 91 7 H 1S 0.52553 92 2S 0.31534 93 8 H 1S 0.52397 94 2S 0.30829 95 9 H 1S 0.52431 96 2S 0.30881 97 10 H 1S 0.52553 98 2S 0.31515 99 11 O 1S 1.99240 100 2S 0.90370 101 2PX 1.00244 102 2PY 0.92740 103 2PZ 0.93977 104 3S 1.06017 105 3PX 0.63153 106 3PY 0.44030 107 3PZ 0.60106 108 4XX -0.01344 109 4YY -0.00084 110 4ZZ -0.01236 111 4XY 0.00851 112 4XZ 0.00022 113 4YZ 0.00914 114 12 O 1S 1.99240 115 2S 0.90345 116 2PX 1.00219 117 2PY 0.92647 118 2PZ 0.94121 119 3S 1.06038 120 3PX 0.63298 121 3PY 0.43987 122 3PZ 0.60242 123 4XX -0.01353 124 4YY -0.00077 125 4ZZ -0.01240 126 4XY 0.00850 127 4XZ 0.00013 128 4YZ 0.00919 129 13 C 1S 1.99219 130 2S 0.68629 131 2PX 0.70644 132 2PY 0.67049 133 2PZ 0.72490 134 3S 0.59633 135 3PX 0.28754 136 3PY 0.26260 137 3PZ 0.32074 138 4XX 0.00559 139 4YY -0.00797 140 4ZZ 0.00940 141 4XY 0.00857 142 4XZ 0.00582 143 4YZ 0.00652 144 14 H 1S 0.51719 145 2S 0.31180 146 15 H 1S 0.52796 147 2S 0.32000 148 16 C 1S 1.99283 149 2S 0.70444 150 2PX 0.56324 151 2PY 0.74697 152 2PZ 0.68489 153 3S 0.63311 154 3PX 0.30066 155 3PY 0.24421 156 3PZ 0.26305 157 4XX -0.01450 158 4YY 0.01423 159 4ZZ -0.00659 160 4XY 0.00578 161 4XZ 0.00662 162 4YZ 0.00751 163 17 H 1S 0.53031 164 2S 0.30484 165 18 C 1S 1.99207 166 2S 0.70879 167 2PX 0.60126 168 2PY 0.75817 169 2PZ 0.70682 170 3S 0.52917 171 3PX 0.39838 172 3PY 0.19824 173 3PZ 0.19854 174 4XX -0.02049 175 4YY 0.00324 176 4ZZ 0.00289 177 4XY 0.00654 178 4XZ 0.00486 179 4YZ 0.01246 180 19 H 1S 0.53046 181 2S 0.31778 182 20 C 1S 1.99282 183 2S 0.70601 184 2PX 0.55911 185 2PY 0.74907 186 2PZ 0.68499 187 3S 0.63171 188 3PX 0.30917 189 3PY 0.23547 190 3PZ 0.26341 191 4XX -0.01523 192 4YY 0.01400 193 4ZZ -0.00669 194 4XY 0.00602 195 4XZ 0.00644 196 4YZ 0.00771 197 21 H 1S 0.53026 198 2S 0.30420 199 22 C 1S 1.99207 200 2S 0.70899 201 2PX 0.60132 202 2PY 0.75847 203 2PZ 0.70728 204 3S 0.52786 205 3PX 0.39885 206 3PY 0.19625 207 3PZ 0.19911 208 4XX -0.02087 209 4YY 0.00371 210 4ZZ 0.00290 211 4XY 0.00646 212 4XZ 0.00467 213 4YZ 0.01271 214 23 H 1S 0.53048 215 2S 0.31788 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.232162 0.383479 -0.114875 0.003934 -0.019523 0.427362 2 C 0.383479 4.391720 0.339301 -0.007100 -0.015250 -0.019438 3 C -0.114875 0.339301 5.488192 0.247094 -0.006202 0.003923 4 C 0.003934 -0.007100 0.247094 5.489430 0.342982 -0.115175 5 C -0.019523 -0.015250 -0.006202 0.342982 4.386737 0.382821 6 C 0.427362 -0.019438 0.003923 -0.115175 0.382821 5.232817 7 H 0.338533 -0.032315 0.007258 -0.000824 0.003356 -0.034259 8 H 0.005570 -0.024802 0.344445 -0.030287 0.001745 -0.000406 9 H -0.000402 0.001778 -0.030730 0.344363 -0.024650 0.005636 10 H -0.034497 0.003364 -0.000823 0.007302 -0.032072 0.338438 11 O -0.065845 0.523288 -0.076415 0.005126 -0.000022 0.005862 12 O 0.005945 -0.000028 0.005158 -0.076584 0.523104 -0.066165 13 C 0.000107 0.002286 -0.036871 -0.035806 0.002024 0.000117 14 H 0.000000 -0.000043 0.004028 0.003987 -0.000038 0.000000 15 H -0.000005 0.000298 -0.002928 -0.003008 0.000302 -0.000005 16 C -0.000882 -0.011329 0.174668 -0.036347 -0.000402 -0.001225 17 H 0.000132 -0.002036 -0.022040 0.003039 -0.000011 -0.000039 18 C 0.003662 -0.007460 -0.014512 -0.038521 -0.002036 0.001307 19 H 0.000175 0.001668 0.000128 -0.000304 -0.000082 0.000110 20 C -0.001140 -0.000394 -0.034591 0.169752 -0.010155 -0.000727 21 H -0.000037 -0.000009 0.002816 -0.021044 -0.001868 0.000135 22 C 0.001142 -0.001948 -0.036582 -0.011122 -0.007185 0.003084 23 H 0.000099 -0.000077 -0.000298 0.000245 0.001528 0.000159 7 8 9 10 11 12 1 C 0.338533 0.005570 -0.000402 -0.034497 -0.065845 0.005945 2 C -0.032315 -0.024802 0.001778 0.003364 0.523288 -0.000028 3 C 0.007258 0.344445 -0.030730 -0.000823 -0.076415 0.005158 4 C -0.000824 -0.030287 0.344363 0.007302 0.005126 -0.076584 5 C 0.003356 0.001745 -0.024650 -0.032072 -0.000022 0.523104 6 C -0.034259 -0.000406 0.005636 0.338438 0.005862 -0.066165 7 H 0.563869 -0.000149 0.000016 -0.007051 0.002535 -0.000071 8 H -0.000149 0.553000 -0.006565 0.000016 0.001252 -0.000057 9 H 0.000016 -0.006565 0.552716 -0.000149 -0.000057 0.001193 10 H -0.007051 0.000016 -0.000149 0.563671 -0.000071 0.002567 11 O 0.002535 0.001252 -0.000057 -0.000071 8.095258 0.000000 12 O -0.000071 -0.000057 0.001193 0.002567 0.000000 8.098646 13 C 0.000001 -0.002985 -0.002767 0.000001 0.000198 0.000199 14 H 0.000000 0.000037 0.000033 0.000000 -0.000002 -0.000002 15 H 0.000000 0.001343 0.001337 0.000000 0.000002 0.000002 16 C -0.000087 -0.012407 0.000866 0.000013 -0.003560 -0.000027 17 H -0.000001 -0.000380 -0.000102 0.000000 0.004217 0.000000 18 C -0.000095 0.001160 0.000968 0.000081 -0.001985 0.000172 19 H 0.000071 -0.000080 0.000008 -0.000002 0.000086 0.000000 20 C 0.000013 0.000954 -0.011040 -0.000083 -0.000030 -0.003848 21 H 0.000000 -0.000096 -0.000219 -0.000001 0.000000 0.004150 22 C 0.000075 0.000943 0.000966 -0.000083 0.000160 -0.001928 23 H -0.000002 0.000008 -0.000078 0.000068 0.000000 0.000073 13 14 15 16 17 18 1 C 0.000107 0.000000 -0.000005 -0.000882 0.000132 0.003662 2 C 0.002286 -0.000043 0.000298 -0.011329 -0.002036 -0.007460 3 C -0.036871 0.004028 -0.002928 0.174668 -0.022040 -0.014512 4 C -0.035806 0.003987 -0.003008 -0.036347 0.003039 -0.038521 5 C 0.002024 -0.000038 0.000302 -0.000402 -0.000011 -0.002036 6 C 0.000117 0.000000 -0.000005 -0.001225 -0.000039 0.001307 7 H 0.000001 0.000000 0.000000 -0.000087 -0.000001 -0.000095 8 H -0.002985 0.000037 0.001343 -0.012407 -0.000380 0.001160 9 H -0.002767 0.000033 0.001337 0.000866 -0.000102 0.000968 10 H 0.000001 0.000000 0.000000 0.000013 0.000000 0.000081 11 O 0.000198 -0.000002 0.000002 -0.003560 0.004217 -0.001985 12 O 0.000199 -0.000002 0.000002 -0.000027 0.000000 0.000172 13 C 5.112490 0.347060 0.365984 0.355799 -0.036629 -0.063327 14 H 0.347060 0.563642 -0.034278 -0.026622 -0.000442 -0.000359 15 H 0.365984 -0.034278 0.579083 -0.034221 -0.001012 0.005281 16 C 0.355799 -0.026622 -0.034221 5.075732 0.365460 0.461016 17 H -0.036629 -0.000442 -0.001012 0.365460 0.552730 -0.036407 18 C -0.063327 -0.000359 0.005281 0.461016 -0.036407 4.934795 19 H 0.005683 -0.000146 -0.000103 -0.049486 -0.003071 0.373618 20 C 0.356240 -0.026900 -0.034201 -0.067473 0.004963 -0.054419 21 H -0.036940 -0.000374 -0.001064 0.004934 -0.000149 0.007046 22 C -0.063119 -0.000449 0.005258 -0.054167 0.007026 0.578456 23 H 0.005704 -0.000143 -0.000102 0.006194 -0.000098 -0.047499 19 20 21 22 23 1 C 0.000175 -0.001140 -0.000037 0.001142 0.000099 2 C 0.001668 -0.000394 -0.000009 -0.001948 -0.000077 3 C 0.000128 -0.034591 0.002816 -0.036582 -0.000298 4 C -0.000304 0.169752 -0.021044 -0.011122 0.000245 5 C -0.000082 -0.010155 -0.001868 -0.007185 0.001528 6 C 0.000110 -0.000727 0.000135 0.003084 0.000159 7 H 0.000071 0.000013 0.000000 0.000075 -0.000002 8 H -0.000080 0.000954 -0.000096 0.000943 0.000008 9 H 0.000008 -0.011040 -0.000219 0.000966 -0.000078 10 H -0.000002 -0.000083 -0.000001 -0.000083 0.000068 11 O 0.000086 -0.000030 0.000000 0.000160 0.000000 12 O 0.000000 -0.003848 0.004150 -0.001928 0.000073 13 C 0.005683 0.356240 -0.036940 -0.063119 0.005704 14 H -0.000146 -0.026900 -0.000374 -0.000449 -0.000143 15 H -0.000103 -0.034201 -0.001064 0.005258 -0.000102 16 C -0.049486 -0.067473 0.004934 -0.054167 0.006194 17 H -0.003071 0.004963 -0.000149 0.007026 -0.000098 18 C 0.373618 -0.054419 0.007046 0.578456 -0.047499 19 H 0.564553 0.006196 -0.000099 -0.047116 -0.003566 20 C 0.006196 5.071250 0.365698 0.463611 -0.049671 21 H -0.000099 0.365698 0.551106 -0.036431 -0.003088 22 C -0.047116 0.463611 -0.036431 4.925412 0.373780 23 H -0.003566 -0.049671 -0.003088 0.373780 0.565123 Mulliken charges: 1 1 C -0.165098 2 C 0.475047 3 C -0.240144 4 C -0.241133 5 C 0.474898 6 C -0.164333 7 H 0.159128 8 H 0.167742 9 H 0.166879 10 H 0.159312 11 O -0.489999 12 O -0.492501 13 C -0.275451 14 H 0.171012 15 H 0.152038 16 C -0.146448 17 H 0.164850 18 C -0.100943 19 H 0.151757 20 C -0.144005 21 H 0.165535 22 C -0.099782 23 H 0.151638 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.005970 2 C 0.475047 3 C -0.072401 4 C -0.074255 5 C 0.474898 6 C -0.005021 11 O -0.489999 12 O -0.492501 13 C 0.047598 16 C 0.018403 18 C 0.050815 20 C 0.021530 22 C 0.051855 APT charges: 1 1 C -0.501492 2 C -0.442121 3 C -0.537141 4 C -0.538076 5 C -0.441230 6 C -0.501662 7 H 0.625646 8 H 0.520447 9 H 0.519523 10 H 0.625318 11 O 0.259107 12 O 0.253995 13 C -1.013110 14 H 0.629776 15 H 0.437652 16 C -0.506805 17 H 0.544974 18 C -0.500866 19 H 0.507873 20 C -0.497070 21 H 0.544719 22 C -0.499277 23 H 0.509821 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.124154 2 C -0.442121 3 C -0.016694 4 C -0.018554 5 C -0.441230 6 C 0.123656 11 O 0.259107 12 O 0.253995 13 C 0.054317 16 C 0.038169 18 C 0.007008 20 C 0.047648 22 C 0.010543 Electronic spatial extent (au): = 1843.9874 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 2.3575 Y= -0.0993 Z= 0.6236 Tot= 2.4406 Quadrupole moment (field-independent basis, Debye-Ang): XX= -69.4380 YY= -90.8927 ZZ= -69.6226 XY= -0.6124 XZ= -4.5626 YZ= 0.2011 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 7.2131 YY= -14.2416 ZZ= 7.0285 XY= -0.6124 XZ= -4.5626 YZ= 0.2011 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -8.1915 YYY= -2.5412 ZZZ= -2.5937 XYY= 26.8662 XXY= 2.0088 XXZ= 0.7952 XZZ= -3.6000 YZZ= 0.1027 YYZ= 8.8153 XYZ= 0.2216 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1034.3487 YYYY= -1097.7488 ZZZZ= -363.6036 XXXY= -1.3675 XXXZ= -33.2519 YYYX= -2.7283 YYYZ= 1.4035 ZZZX= -7.6348 ZZZY= 0.3462 XXYY= -346.0448 XXZZ= -241.6777 YYZZ= -205.4923 XXYZ= 0.3081 YYXZ= -12.0393 ZZXY= 0.8979 N-N= 7.829903329022D+02 E-N=-2.904731975910D+03 KE= 5.701552754740D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.134205 29.025528 2 O -19.132548 29.025520 3 O -10.276172 15.886581 4 O -10.275018 15.886565 5 O -10.228884 15.890089 6 O -10.228682 15.890007 7 O -10.215288 15.872175 8 O -10.214405 15.887266 9 O -10.212580 15.885049 10 O -10.210259 15.886165 11 O -10.208976 15.889270 12 O -10.203306 15.876014 13 O -10.202649 15.887564 14 O -1.039379 2.621939 15 O -1.036944 2.654004 16 O -0.884450 1.375080 17 O -0.829404 1.605022 18 O -0.767844 1.571492 19 O -0.726668 1.510932 20 O -0.724447 1.526574 21 O -0.679375 1.817787 22 O -0.621589 1.416334 23 O -0.584293 1.455448 24 O -0.577726 1.414457 25 O -0.548517 1.331118 26 O -0.534603 0.979520 27 O -0.493582 1.446462 28 O -0.480279 1.583911 29 O -0.466001 1.647800 30 O -0.464070 1.110034 31 O -0.447821 1.208722 32 O -0.418412 2.083820 33 O -0.407582 1.534290 34 O -0.403882 1.343663 35 O -0.399505 1.511856 36 O -0.397554 1.346467 37 O -0.390398 1.780217 38 O -0.388039 1.351656 39 O -0.379617 1.577749 40 O -0.364789 1.409850 41 O -0.329919 1.309069 42 O -0.290244 1.405247 43 O -0.265554 1.552678 44 O -0.254205 2.299922 45 O -0.245460 1.454639 46 O -0.240545 2.052086 47 V -0.083829 1.751819 48 V -0.033350 1.556158 49 V -0.013857 1.426105 50 V 0.051891 1.909545 51 V 0.068630 1.639532 52 V 0.081436 0.953230 53 V 0.110201 0.996534 54 V 0.121503 1.003454 55 V 0.136418 1.070353 56 V 0.140760 1.268217 57 V 0.154976 1.211272 58 V 0.155842 1.133887 59 V 0.162849 1.411467 60 V 0.174056 1.235673 61 V 0.177513 1.457362 62 V 0.190750 1.820063 63 V 0.198744 1.537268 64 V 0.210462 1.515358 65 V 0.213554 1.486054 66 V 0.247285 1.658637 67 V 0.260006 1.499493 68 V 0.295274 1.690806 69 V 0.314115 1.965559 70 V 0.334529 1.717480 71 V 0.341418 2.108663 72 V 0.356641 1.863735 73 V 0.371768 2.020006 74 V 0.437668 1.698927 75 V 0.445682 2.610367 76 V 0.482070 2.108389 77 V 0.482993 1.937075 78 V 0.508232 1.835128 79 V 0.521449 2.052951 80 V 0.527809 2.116835 81 V 0.537843 1.925892 82 V 0.559186 2.088788 83 V 0.563060 2.250054 84 V 0.569945 2.046917 85 V 0.587852 2.024144 86 V 0.596780 2.175738 87 V 0.617438 2.511679 88 V 0.627324 2.254315 89 V 0.653383 2.534165 90 V 0.663698 2.567728 91 V 0.665980 2.735312 92 V 0.677063 2.714673 93 V 0.686906 2.738672 94 V 0.725024 2.480575 95 V 0.736438 2.443682 96 V 0.744060 2.565841 97 V 0.750049 2.632383 98 V 0.771686 2.436792 99 V 0.800857 2.616492 100 V 0.813251 2.453381 101 V 0.814048 2.664131 102 V 0.819198 2.565920 103 V 0.828987 2.457002 104 V 0.831970 2.723461 105 V 0.841289 2.807470 106 V 0.845737 2.810511 107 V 0.865446 2.471104 108 V 0.877631 2.645162 109 V 0.881871 2.377797 110 V 0.891090 2.569343 111 V 0.919636 2.366664 112 V 0.926883 2.568471 113 V 0.937728 2.669656 114 V 0.955607 2.589395 115 V 0.960800 2.303495 116 V 0.976319 2.616456 117 V 0.994707 2.882947 118 V 1.032011 3.016197 119 V 1.037291 2.502165 120 V 1.056636 2.733545 121 V 1.078871 2.585901 122 V 1.095363 2.767128 123 V 1.122148 3.032635 124 V 1.136745 2.401923 125 V 1.195410 2.435251 126 V 1.221893 2.412619 127 V 1.240431 2.357666 128 V 1.249991 2.549357 129 V 1.254504 2.557157 130 V 1.284380 2.490622 131 V 1.369501 2.634379 132 V 1.387579 2.791257 133 V 1.404099 2.583600 134 V 1.427779 2.610772 135 V 1.436643 2.659979 136 V 1.437884 2.653660 137 V 1.475120 2.704565 138 V 1.477977 2.674916 139 V 1.493317 2.728479 140 V 1.548728 2.868358 141 V 1.560825 2.828163 142 V 1.580406 2.798668 143 V 1.637757 2.852541 144 V 1.659549 2.902507 145 V 1.681361 2.928578 146 V 1.692324 3.230975 147 V 1.768974 2.861000 148 V 1.783924 3.101091 149 V 1.802248 3.071278 150 V 1.822544 3.093353 151 V 1.832274 2.913562 152 V 1.851522 3.419343 153 V 1.864502 3.265530 154 V 1.877952 3.299124 155 V 1.910063 3.176910 156 V 1.915744 3.363247 157 V 1.923855 3.332964 158 V 1.927513 3.104276 159 V 1.952107 3.275422 160 V 1.989358 3.728235 161 V 1.993205 3.460375 162 V 2.023286 3.522437 163 V 2.037634 3.478966 164 V 2.056148 3.515323 165 V 2.084898 3.384711 166 V 2.097721 3.546027 167 V 2.114754 3.488245 168 V 2.137160 3.558548 169 V 2.146821 3.538146 170 V 2.209440 3.773095 171 V 2.215229 3.565252 172 V 2.233267 3.584524 173 V 2.236060 3.655510 174 V 2.273968 3.666991 175 V 2.294051 3.602844 176 V 2.311753 3.766842 177 V 2.314778 3.779908 178 V 2.338093 3.665529 179 V 2.380868 3.779990 180 V 2.397484 3.723184 181 V 2.435816 3.967930 182 V 2.474383 3.829149 183 V 2.525184 4.155850 184 V 2.555944 4.013754 185 V 2.578406 3.986372 186 V 2.604782 3.945101 187 V 2.615304 4.307889 188 V 2.627612 4.334219 189 V 2.638287 4.180106 190 V 2.653360 4.361272 191 V 2.664446 4.139162 192 V 2.671949 4.284180 193 V 2.708932 4.514675 194 V 2.770809 4.530679 195 V 2.825555 4.487149 196 V 2.896391 4.705016 197 V 2.946705 4.454716 198 V 2.973058 4.577853 199 V 2.986657 5.093974 200 V 3.033588 5.092374 201 V 3.187281 4.861740 202 V 3.240151 5.156721 203 V 4.013262 10.203199 204 V 4.053877 10.104714 205 V 4.088885 10.525227 206 V 4.192795 10.250103 207 V 4.267436 10.373429 208 V 4.317987 10.412743 209 V 4.356546 10.304942 210 V 4.394534 10.989771 211 V 4.527949 10.488817 212 V 4.588034 10.884588 213 V 4.646492 10.782585 214 V 4.692075 11.352712 215 V 4.935730 11.765435 Total kinetic energy from orbitals= 5.701552754740D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 182.564 2.145 269.988 6.375 -0.811 160.255 Calling FoFJK, ICntrl= 100147 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001874787 -0.016344679 0.000114828 2 6 -0.003855417 0.015548358 -0.001991249 3 6 0.017333272 -0.010444829 0.003675875 4 6 0.017939653 0.009330995 0.003707843 5 6 -0.004993079 -0.015188047 -0.001504921 6 6 0.003102838 0.016091649 -0.000272590 7 1 0.001679595 0.002592039 -0.001972686 8 1 -0.004083152 0.001403237 0.003790943 9 1 -0.004044125 -0.000854543 0.003211813 10 1 0.001503643 -0.002721010 -0.001966326 11 8 -0.002987561 -0.016539826 -0.000094560 12 8 -0.002093141 0.016951994 -0.000288047 13 6 -0.000838638 -0.000048841 -0.001470698 14 1 -0.006273621 0.000179984 0.003225711 15 1 -0.002446218 0.000078331 0.003494502 16 6 -0.018217465 0.017898726 -0.004336448 17 1 0.001702279 -0.005667369 0.002251810 18 6 0.015735207 0.001793909 -0.007126681 19 1 -0.004259022 -0.001493231 0.003702628 20 6 -0.020010754 -0.017181209 -0.004663612 21 1 0.002334700 0.005944730 0.002234080 22 6 0.015010119 -0.003121141 -0.007335622 23 1 -0.004113900 0.001790773 0.003613407 ------------------------------------------------------------------- Cartesian Forces: Max 0.020010754 RMS 0.008312781 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.017015567 RMS 0.003524907 Search for a saddle point. Step number 1 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- -0.03064 0.00133 0.00463 0.00506 0.00792 Eigenvalues --- 0.01198 0.01244 0.01421 0.01653 0.01898 Eigenvalues --- 0.02059 0.02192 0.02378 0.02867 0.03072 Eigenvalues --- 0.03282 0.03540 0.03750 0.03910 0.04195 Eigenvalues --- 0.04256 0.04695 0.05150 0.05217 0.05403 Eigenvalues --- 0.06247 0.07609 0.07968 0.09640 0.09931 Eigenvalues --- 0.10234 0.10563 0.10934 0.11977 0.13701 Eigenvalues --- 0.16019 0.16122 0.17820 0.20560 0.21136 Eigenvalues --- 0.22704 0.23866 0.24571 0.27351 0.28114 Eigenvalues --- 0.29762 0.30345 0.31343 0.31829 0.33164 Eigenvalues --- 0.33938 0.34106 0.34452 0.35027 0.35048 Eigenvalues --- 0.38220 0.38428 0.38453 0.38563 0.44185 Eigenvalues --- 0.59001 0.87540 0.87765 Eigenvectors required to have negative eigenvalues: R11 R8 D18 D16 D69 1 0.56584 0.55768 0.14939 -0.14809 -0.14095 D60 R6 D13 D36 D10 1 0.13942 -0.12595 -0.12570 0.12500 -0.11561 RFO step: Lambda0=7.465547977D-03 Lambda=-7.54567815D-03. Linear search not attempted -- option 19 set. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.793 Iteration 1 RMS(Cart)= 0.03296951 RMS(Int)= 0.00076908 Iteration 2 RMS(Cart)= 0.00089443 RMS(Int)= 0.00032613 Iteration 3 RMS(Cart)= 0.00000043 RMS(Int)= 0.00032613 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.83303 -0.00501 0.00000 -0.01692 -0.01690 2.81613 R2 2.51968 0.01115 0.00000 0.01682 0.01685 2.53653 R3 2.06548 -0.00353 0.00000 -0.00834 -0.00834 2.05714 R4 2.81129 0.00170 0.00000 -0.00911 -0.00911 2.80218 R5 2.29605 0.01675 0.00000 0.01757 0.01757 2.31362 R6 2.71979 0.00792 0.00000 -0.03077 -0.03097 2.68883 R7 2.06969 -0.00500 0.00000 -0.01348 -0.01348 2.05621 R8 3.82581 -0.01137 0.00000 0.17188 0.17184 3.99766 R9 2.80389 0.00205 0.00000 -0.00756 -0.00758 2.79631 R10 2.06704 -0.00437 0.00000 -0.01174 -0.01174 2.05529 R11 3.89273 -0.01148 0.00000 0.16942 0.16939 4.06211 R12 2.83463 -0.00506 0.00000 -0.01712 -0.01711 2.81752 R13 2.29695 0.01702 0.00000 0.01773 0.01773 2.31468 R14 2.06544 -0.00354 0.00000 -0.00830 -0.00830 2.05715 R15 2.09538 -0.00482 0.00000 -0.00924 -0.00924 2.08614 R16 2.07743 -0.00364 0.00000 -0.01171 -0.01171 2.06573 R17 2.88427 -0.00702 0.00000 -0.02098 -0.02063 2.86364 R18 2.88002 -0.00691 0.00000 -0.01965 -0.01934 2.86067 R19 2.03667 0.00522 0.00000 0.01006 0.01006 2.04673 R20 2.74653 -0.00745 0.00000 -0.06351 -0.06358 2.68295 R21 2.03504 0.00501 0.00000 0.01064 0.01064 2.04567 R22 2.59990 -0.00341 0.00000 0.02292 0.02266 2.62256 R23 2.03498 0.00561 0.00000 0.01097 0.01097 2.04595 R24 2.74138 -0.00743 0.00000 -0.06245 -0.06255 2.67883 R25 2.03529 0.00494 0.00000 0.01050 0.01050 2.04579 A1 2.13606 0.00093 0.00000 -0.00160 -0.00189 2.13417 A2 2.00038 0.00042 0.00000 0.01176 0.01178 2.01216 A3 2.14670 -0.00136 0.00000 -0.01037 -0.01035 2.13635 A4 2.04465 -0.00116 0.00000 -0.00850 -0.00875 2.03590 A5 2.10415 -0.00090 0.00000 0.00085 0.00097 2.10512 A6 2.13438 0.00206 0.00000 0.00766 0.00778 2.14216 A7 2.09720 0.00016 0.00000 0.00752 0.00731 2.10451 A8 1.98536 -0.00230 0.00000 0.00155 0.00046 1.98583 A9 1.75914 0.00245 0.00000 -0.01605 -0.01588 1.74326 A10 2.04976 0.00120 0.00000 0.02620 0.02533 2.07510 A11 1.79004 -0.00113 0.00000 -0.00477 -0.00475 1.78529 A12 1.67548 0.00031 0.00000 -0.04260 -0.04239 1.63309 A13 2.10304 0.00018 0.00000 0.00600 0.00582 2.10886 A14 2.05483 0.00127 0.00000 0.02554 0.02467 2.07950 A15 1.77854 -0.00146 0.00000 -0.00696 -0.00698 1.77157 A16 1.99105 -0.00233 0.00000 0.00029 -0.00064 1.99040 A17 1.75195 0.00265 0.00000 -0.01372 -0.01357 1.73838 A18 1.66433 0.00045 0.00000 -0.03951 -0.03927 1.62506 A19 2.04410 -0.00134 0.00000 -0.00845 -0.00872 2.03537 A20 2.13702 0.00215 0.00000 0.00749 0.00763 2.14465 A21 2.10206 -0.00081 0.00000 0.00096 0.00110 2.10316 A22 2.13596 0.00110 0.00000 -0.00049 -0.00079 2.13517 A23 2.14677 -0.00147 0.00000 -0.01097 -0.01094 2.13583 A24 2.00041 0.00036 0.00000 0.01125 0.01128 2.01169 A25 1.85260 0.00252 0.00000 0.02337 0.02354 1.87615 A26 1.94032 -0.00221 0.00000 -0.03541 -0.03534 1.90498 A27 1.94132 -0.00207 0.00000 -0.03490 -0.03479 1.90653 A28 2.00862 -0.00031 0.00000 0.01329 0.01333 2.02196 A29 2.00882 -0.00039 0.00000 0.01290 0.01289 2.02171 A30 1.71310 0.00203 0.00000 0.01479 0.01352 1.72661 A31 1.63584 -0.00205 0.00000 -0.04470 -0.04486 1.59098 A32 1.80469 -0.00133 0.00000 -0.02040 -0.02017 1.78452 A33 1.74335 0.00697 0.00000 0.02613 0.02641 1.76976 A34 2.13755 0.00180 0.00000 0.01586 0.01520 2.15275 A35 1.84232 -0.00213 0.00000 0.00926 0.00932 1.85165 A36 2.16661 -0.00152 0.00000 -0.00325 -0.00356 2.16305 A37 2.16304 0.00148 0.00000 0.01528 0.01498 2.17802 A38 1.89656 0.00022 0.00000 0.00256 0.00226 1.89881 A39 2.22112 -0.00178 0.00000 -0.02062 -0.02079 2.20033 A40 1.61831 -0.00187 0.00000 -0.04310 -0.04328 1.57503 A41 1.79629 -0.00143 0.00000 -0.01657 -0.01638 1.77991 A42 1.73331 0.00696 0.00000 0.02613 0.02642 1.75974 A43 2.14405 0.00181 0.00000 0.01376 0.01330 2.15735 A44 1.84657 -0.00222 0.00000 0.00851 0.00856 1.85514 A45 2.17447 -0.00136 0.00000 -0.00479 -0.00505 2.16942 A46 1.89625 0.00035 0.00000 0.00305 0.00275 1.89901 A47 2.22061 -0.00178 0.00000 -0.02029 -0.02043 2.20019 A48 2.16394 0.00136 0.00000 0.01469 0.01446 2.17840 D1 0.08108 0.00093 0.00000 0.04044 0.04040 0.12148 D2 -3.06359 0.00077 0.00000 0.04030 0.04026 -3.02333 D3 -3.07064 0.00010 0.00000 0.01727 0.01715 -3.05348 D4 0.06788 -0.00005 0.00000 0.01713 0.01701 0.08489 D5 0.00040 -0.00004 0.00000 -0.00048 -0.00047 -0.00008 D6 3.13083 -0.00088 0.00000 -0.02505 -0.02483 3.10600 D7 -3.13022 0.00085 0.00000 0.02451 0.02429 -3.10593 D8 0.00021 0.00001 0.00000 -0.00006 -0.00007 0.00014 D9 -0.08671 -0.00084 0.00000 -0.03914 -0.03930 -0.12600 D10 -2.65124 0.00044 0.00000 -0.10848 -0.10829 -2.75954 D11 1.85969 -0.00045 0.00000 -0.05299 -0.05317 1.80652 D12 3.05803 -0.00067 0.00000 -0.03898 -0.03914 3.01889 D13 0.49349 0.00061 0.00000 -0.10832 -0.10813 0.38535 D14 -1.27876 -0.00028 0.00000 -0.05283 -0.05301 -1.33177 D15 0.01426 0.00001 0.00000 -0.00112 -0.00113 0.01313 D16 -2.56228 0.00244 0.00000 -0.06250 -0.06297 -2.62526 D17 1.92966 0.00234 0.00000 -0.02039 -0.02033 1.90933 D18 2.55826 -0.00245 0.00000 0.06259 0.06305 2.62130 D19 -0.01829 -0.00001 0.00000 0.00121 0.00121 -0.01708 D20 -1.80953 -0.00011 0.00000 0.04331 0.04385 -1.76568 D21 -1.91554 -0.00232 0.00000 0.01876 0.01867 -1.89687 D22 1.79110 0.00012 0.00000 -0.04262 -0.04317 1.74793 D23 -0.00014 0.00002 0.00000 -0.00051 -0.00054 -0.00067 D24 -2.83828 -0.00094 0.00000 -0.01196 -0.01096 -2.84924 D25 1.26929 -0.00183 0.00000 -0.00878 -0.00894 1.26035 D26 -0.97934 -0.00270 0.00000 -0.00836 -0.00814 -0.98748 D27 -0.66525 -0.00022 0.00000 -0.01200 -0.01100 -0.67625 D28 -2.84086 -0.00111 0.00000 -0.00882 -0.00898 -2.84985 D29 1.19369 -0.00198 0.00000 -0.00840 -0.00818 1.18551 D30 1.42703 0.00086 0.00000 0.00092 0.00162 1.42865 D31 -0.74858 -0.00003 0.00000 0.00410 0.00364 -0.74494 D32 -2.99721 -0.00090 0.00000 0.00452 0.00444 -2.99277 D33 0.06579 0.00082 0.00000 0.04066 0.04082 0.10661 D34 -3.07805 0.00074 0.00000 0.04282 0.04300 -3.03506 D35 2.66157 -0.00047 0.00000 0.10754 0.10730 2.76888 D36 -0.48228 -0.00055 0.00000 0.10970 0.10948 -0.37279 D37 -1.86388 0.00070 0.00000 0.05632 0.05649 -1.80739 D38 1.27546 0.00062 0.00000 0.05848 0.05867 1.33413 D39 0.66590 0.00019 0.00000 0.01334 0.01236 0.67826 D40 2.84076 0.00120 0.00000 0.01076 0.01082 2.85158 D41 -1.19290 0.00211 0.00000 0.01009 0.00988 -1.18302 D42 2.83817 0.00085 0.00000 0.01207 0.01114 2.84930 D43 -1.27016 0.00186 0.00000 0.00948 0.00960 -1.26056 D44 0.97937 0.00278 0.00000 0.00882 0.00865 0.98802 D45 -1.42554 -0.00094 0.00000 -0.00009 -0.00081 -1.42634 D46 0.74932 0.00007 0.00000 -0.00267 -0.00235 0.74698 D47 2.99885 0.00099 0.00000 -0.00334 -0.00329 2.99556 D48 -0.07484 -0.00086 0.00000 -0.04039 -0.04036 -0.11520 D49 3.07705 -0.00007 0.00000 -0.01760 -0.01749 3.05956 D50 3.06896 -0.00078 0.00000 -0.04252 -0.04249 3.02647 D51 -0.06234 0.00001 0.00000 -0.01973 -0.01962 -0.08196 D52 -3.06980 0.00188 0.00000 0.01626 0.01641 -3.05339 D53 -1.17671 -0.00065 0.00000 -0.03509 -0.03538 -1.21209 D54 1.44455 -0.00454 0.00000 0.00110 0.00125 1.44581 D55 -0.96313 0.00328 0.00000 0.02943 0.02953 -0.93360 D56 0.92997 0.00074 0.00000 -0.02193 -0.02226 0.90771 D57 -2.73195 -0.00314 0.00000 0.01426 0.01437 -2.71758 D58 1.17831 0.00398 0.00000 0.06075 0.06089 1.23920 D59 3.07141 0.00145 0.00000 0.00940 0.00910 3.08050 D60 -0.59052 -0.00244 0.00000 0.04559 0.04573 -0.54479 D61 3.08458 -0.00191 0.00000 -0.01729 -0.01745 3.06713 D62 1.21210 0.00066 0.00000 0.02920 0.02942 1.24152 D63 -1.44499 0.00457 0.00000 -0.00193 -0.00206 -1.44705 D64 0.97699 -0.00335 0.00000 -0.03056 -0.03069 0.94630 D65 -0.89549 -0.00078 0.00000 0.01592 0.01618 -0.87931 D66 2.73060 0.00313 0.00000 -0.01521 -0.01530 2.71531 D67 -1.16431 -0.00411 0.00000 -0.06218 -0.06236 -1.22666 D68 -3.03679 -0.00154 0.00000 -0.01569 -0.01549 -3.05228 D69 0.58931 0.00237 0.00000 -0.04682 -0.04696 0.54234 D70 1.78072 0.00028 0.00000 -0.03402 -0.03415 1.74657 D71 -1.29029 0.00162 0.00000 0.00684 0.00705 -1.28324 D72 -2.81439 -0.00024 0.00000 -0.07155 -0.07175 -2.88614 D73 0.39778 0.00110 0.00000 -0.03069 -0.03055 0.36723 D74 -0.20422 -0.00294 0.00000 -0.02720 -0.02765 -0.23187 D75 3.00796 -0.00160 0.00000 0.01366 0.01355 3.02150 D76 -0.00438 -0.00006 0.00000 -0.00135 -0.00138 -0.00576 D77 3.06489 -0.00113 0.00000 -0.03920 -0.03857 3.02632 D78 -3.07239 0.00117 0.00000 0.03934 0.03861 -3.03378 D79 -0.00312 0.00010 0.00000 0.00149 0.00143 -0.00170 D80 1.27559 -0.00131 0.00000 -0.00293 -0.00315 1.27244 D81 -1.79657 -0.00013 0.00000 0.03517 0.03523 -1.76133 D82 -0.39178 -0.00100 0.00000 0.03315 0.03301 -0.35877 D83 2.81925 0.00019 0.00000 0.07125 0.07139 2.89065 D84 -3.03804 0.00188 0.00000 -0.00539 -0.00532 -3.04336 D85 0.17299 0.00307 0.00000 0.03271 0.03306 0.20605 Item Value Threshold Converged? Maximum Force 0.017016 0.000450 NO RMS Force 0.003525 0.000300 NO Maximum Displacement 0.135803 0.001800 NO RMS Displacement 0.033247 0.001200 NO Predicted change in Energy= 7.512609D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.123117 -1.853812 0.002116 2 6 0 1.009207 -2.679995 -0.865671 3 6 0 2.057419 -1.957152 -1.625668 4 6 0 2.093892 -0.534783 -1.634866 5 6 0 1.099217 0.254238 -0.874793 6 6 0 0.164301 -0.512176 -0.002142 7 1 0 -0.581233 -2.413880 0.614691 8 1 0 2.418551 -2.498002 -2.498034 9 1 0 2.495856 -0.020813 -2.505019 10 1 0 -0.504407 0.093443 0.607033 11 8 0 0.863142 -3.893872 -0.929841 12 8 0 1.027259 1.475158 -0.941828 13 6 0 4.548926 -1.319563 -1.090119 14 1 0 5.589704 -1.362787 -0.724613 15 1 0 4.584176 -1.316436 -2.182681 16 6 0 3.753030 -2.443516 -0.457951 17 1 0 3.905026 -3.488709 -0.697820 18 6 0 3.356613 -1.973580 0.821783 19 1 0 2.971828 -2.598705 1.617407 20 6 0 3.843784 -0.143158 -0.449459 21 1 0 4.055901 0.889468 -0.696176 22 6 0 3.407296 -0.586708 0.824224 23 1 0 3.067650 0.061990 1.621605 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.490230 0.000000 3 C 2.530194 1.482851 0.000000 4 C 2.881579 2.523913 1.422866 0.000000 5 C 2.483065 2.935627 2.524323 1.479744 0.000000 6 C 1.342275 2.481730 2.882306 2.527769 1.490965 7 H 1.088593 2.189015 3.491460 3.968350 3.487310 8 H 3.454670 2.164251 1.088098 2.169030 3.456931 9 H 3.908388 3.459601 2.171381 1.087615 2.164229 10 H 2.133427 3.485948 3.968985 3.488830 2.189355 11 O 2.361785 1.224317 2.379361 3.646270 4.155187 12 O 3.576387 4.155889 3.648235 2.378628 1.224874 13 C 4.589791 3.798784 2.626963 2.634354 3.797855 14 H 5.536498 4.768217 3.693535 3.706057 4.775123 15 H 4.996314 4.046506 2.665573 2.666946 4.040115 16 C 3.706168 2.784012 2.115468 2.789468 3.807145 17 H 4.179190 3.011306 2.572978 3.589421 4.681189 18 C 3.337918 2.976044 2.770954 3.114439 3.596857 19 H 3.358449 3.166096 3.430053 3.950674 4.225756 20 C 4.119905 3.826696 2.804486 2.149578 2.805616 21 H 4.845615 4.695971 3.600157 2.599829 3.029423 22 C 3.614864 3.603946 3.114844 2.788343 2.986818 23 H 3.868244 4.235825 3.955032 3.450934 3.184916 6 7 8 9 10 6 C 0.000000 7 H 2.133725 0.000000 8 H 3.905717 4.323752 0.000000 9 H 3.455716 4.992778 2.478405 0.000000 10 H 1.088595 2.508511 4.990061 4.324292 0.000000 11 O 3.575594 2.581119 2.612849 4.488600 4.486742 12 O 2.361610 4.487161 4.488147 2.615009 2.579556 13 C 4.589172 5.515654 2.812372 2.811368 5.514806 14 H 5.538998 6.401484 3.806566 3.813481 6.405629 15 H 4.993684 5.975878 2.487062 2.478634 5.971930 16 C 4.100831 4.465117 2.438389 3.411813 5.069134 17 H 4.830811 4.796296 2.536115 4.156686 5.829026 18 C 3.606302 3.967793 3.489436 3.952444 4.384767 19 H 3.854705 3.696463 4.153687 4.885333 4.511399 20 C 3.724898 5.086194 3.431216 2.461139 4.480951 21 H 4.194144 5.842388 4.171638 2.556221 4.809202 22 C 3.347455 4.392132 3.958290 3.497831 3.976330 23 H 3.375745 4.523069 4.893497 4.166873 3.713480 11 12 13 14 15 11 O 0.000000 12 O 5.371551 0.000000 13 C 4.498639 4.498288 0.000000 14 H 5.365528 5.377455 1.103940 0.000000 15 H 4.696688 4.688750 1.093135 1.771778 0.000000 16 C 3.267670 4.797913 1.515373 2.147663 2.221668 17 H 3.077507 5.742913 2.296454 2.712637 2.717504 18 C 3.601820 4.519957 2.346214 2.784081 3.311428 19 H 3.551406 5.189160 3.384397 3.723685 4.322563 20 C 4.814857 3.285450 1.513803 2.147427 2.220095 21 H 5.755750 3.094519 2.297408 2.725071 2.711971 22 C 4.526235 3.610375 2.346296 2.786414 3.310443 23 H 5.197940 3.568112 3.384718 3.727666 4.321170 16 17 18 19 20 16 C 0.000000 17 H 1.083083 0.000000 18 C 1.419755 2.214851 0.000000 19 H 2.222942 2.650140 1.082524 0.000000 20 C 2.302163 3.355316 2.281192 3.325952 0.000000 21 H 3.355184 4.380776 3.315155 4.323798 1.082672 22 C 2.282814 3.314508 1.387800 2.206106 1.417578 23 H 3.327440 4.323008 2.206074 2.662423 2.221211 21 22 23 21 H 0.000000 22 C 2.216169 0.000000 23 H 2.652069 1.082583 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.974295 -0.645107 0.633769 2 6 0 -1.104518 -1.453989 -0.266222 3 6 0 -0.095807 -0.711487 -1.059973 4 6 0 -0.084277 0.711316 -1.066657 5 6 0 -1.065632 1.481376 -0.270672 6 6 0 -1.956490 0.697048 0.631646 7 1 0 -2.647301 -1.218583 1.268767 8 1 0 0.244310 -1.244192 -1.945695 9 1 0 0.278478 1.233976 -1.948781 10 1 0 -2.614156 1.289707 1.265105 11 8 0 -1.231696 -2.670087 -0.328535 12 8 0 -1.160963 2.700997 -0.331954 13 6 0 2.401294 -0.031806 -0.608915 14 1 0 3.454655 -0.057690 -0.279608 15 1 0 2.398769 -0.025828 -1.702031 16 6 0 1.647238 -1.170711 0.047327 17 1 0 1.808920 -2.212611 -0.200404 18 6 0 1.287143 -0.710358 1.341201 19 1 0 0.940904 -1.343703 2.147954 20 6 0 1.698437 1.130855 0.058777 21 1 0 1.884027 2.167514 -0.192369 22 6 0 1.313889 0.677178 1.345566 23 1 0 0.990788 1.318241 2.155893 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0506100 1.0159175 0.6711887 Standard basis: 6-31G(d) (6D, 7F) There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 779.7261405280 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 215 RedAO= T EigKep= 6.14D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 Initial guess from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jr814\Desktop\3rd year computational lab\Exercise2\endo_opt+freq_as_TS_unfreeze_endo_JiajunREN.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999837 -0.000970 -0.015740 -0.008753 Ang= -2.07 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -575.529378380 A.U. after 14 cycles NFock= 14 Conv=0.52D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000488319 -0.003865170 0.000318282 2 6 -0.001490179 0.003567025 -0.000378617 3 6 0.005907936 -0.003094116 0.001912360 4 6 0.006414563 0.002783504 0.002031360 5 6 -0.001827535 -0.003397414 -0.000204995 6 6 0.000797193 0.003813959 0.000232225 7 1 0.000352287 0.000623453 -0.000360395 8 1 -0.001012444 0.000184194 0.000571904 9 1 -0.001002705 -0.000073356 0.000453954 10 1 0.000322505 -0.000645604 -0.000347258 11 8 -0.001020921 -0.003670492 -0.000684748 12 8 -0.000848175 0.003740455 -0.000774450 13 6 0.001041408 -0.000055632 -0.000230614 14 1 -0.001494491 0.000060609 0.000971039 15 1 -0.000668248 0.000003234 0.000720939 16 6 -0.006639456 0.003678758 -0.004269422 17 1 0.000782941 -0.001417719 0.000848924 18 6 0.004597865 -0.000178980 0.000675872 19 1 -0.001420428 -0.000246192 0.000785709 20 6 -0.007395755 -0.003396508 -0.004646645 21 1 0.001041539 0.001458838 0.000929980 22 6 0.004470884 -0.000213400 0.000683762 23 1 -0.001397103 0.000340556 0.000760836 ------------------------------------------------------------------- Cartesian Forces: Max 0.007395755 RMS 0.002466335 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003979652 RMS 0.000925334 Search for a saddle point. Step number 2 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 1 2 ITU= 0 0 Eigenvalues --- -0.03003 0.00133 0.00463 0.00527 0.00792 Eigenvalues --- 0.01198 0.01244 0.01438 0.01652 0.01898 Eigenvalues --- 0.02056 0.02192 0.02377 0.02870 0.03072 Eigenvalues --- 0.03280 0.03539 0.03749 0.03908 0.04201 Eigenvalues --- 0.04253 0.04692 0.05145 0.05215 0.05400 Eigenvalues --- 0.06245 0.07605 0.07971 0.09616 0.09923 Eigenvalues --- 0.10227 0.10558 0.10914 0.11972 0.13688 Eigenvalues --- 0.15993 0.16114 0.17809 0.20559 0.21118 Eigenvalues --- 0.22702 0.23859 0.24564 0.27342 0.28127 Eigenvalues --- 0.29782 0.30359 0.31343 0.31824 0.33177 Eigenvalues --- 0.34010 0.34126 0.34451 0.35038 0.35049 Eigenvalues --- 0.38219 0.38425 0.38453 0.38563 0.44233 Eigenvalues --- 0.58995 0.87537 0.87762 Eigenvectors required to have negative eigenvalues: R11 R8 D18 D16 D69 1 0.56653 0.56267 0.15030 -0.14886 -0.14103 D60 D13 R6 D36 D10 1 0.13985 -0.12474 -0.12472 0.12309 -0.11237 RFO step: Lambda0=1.384395354D-03 Lambda=-1.19169142D-03. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.03455814 RMS(Int)= 0.00077704 Iteration 2 RMS(Cart)= 0.00107874 RMS(Int)= 0.00020827 Iteration 3 RMS(Cart)= 0.00000086 RMS(Int)= 0.00020827 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.81613 -0.00092 0.00000 -0.00301 -0.00285 2.81328 R2 2.53653 0.00265 0.00000 0.00533 0.00551 2.54204 R3 2.05714 -0.00075 0.00000 -0.00233 -0.00233 2.05481 R4 2.80218 0.00088 0.00000 -0.00694 -0.00695 2.79523 R5 2.31362 0.00380 0.00000 0.00600 0.00600 2.31963 R6 2.68883 0.00233 0.00000 -0.02075 -0.02106 2.66777 R7 2.05621 -0.00089 0.00000 -0.00389 -0.00389 2.05231 R8 3.99766 -0.00379 0.00000 0.13867 0.13859 4.13624 R9 2.79631 0.00102 0.00000 0.00028 0.00012 2.79643 R10 2.05529 -0.00077 0.00000 -0.00259 -0.00259 2.05271 R11 4.06211 -0.00398 0.00000 0.07099 0.07102 4.13313 R12 2.81752 -0.00097 0.00000 -0.00474 -0.00471 2.81280 R13 2.31468 0.00382 0.00000 0.00497 0.00497 2.31964 R14 2.05715 -0.00075 0.00000 -0.00233 -0.00233 2.05482 R15 2.08614 -0.00109 0.00000 -0.00258 -0.00258 2.08356 R16 2.06573 -0.00074 0.00000 -0.00344 -0.00344 2.06229 R17 2.86364 -0.00099 0.00000 -0.00589 -0.00558 2.85806 R18 2.86067 -0.00096 0.00000 -0.00250 -0.00233 2.85834 R19 2.04673 0.00129 0.00000 0.00302 0.00302 2.04975 R20 2.68295 0.00027 0.00000 -0.02445 -0.02453 2.65842 R21 2.04567 0.00123 0.00000 0.00363 0.00363 2.04930 R22 2.62256 -0.00005 0.00000 0.01676 0.01658 2.63914 R23 2.04595 0.00138 0.00000 0.00392 0.00392 2.04987 R24 2.67883 0.00031 0.00000 -0.01839 -0.01843 2.66040 R25 2.04579 0.00120 0.00000 0.00346 0.00346 2.04925 A1 2.13417 0.00015 0.00000 -0.00404 -0.00461 2.12957 A2 2.01216 0.00021 0.00000 0.00596 0.00611 2.01827 A3 2.13635 -0.00037 0.00000 -0.00264 -0.00248 2.13387 A4 2.03590 -0.00002 0.00000 -0.00379 -0.00448 2.03142 A5 2.10512 -0.00013 0.00000 0.00140 0.00174 2.10685 A6 2.14216 0.00015 0.00000 0.00240 0.00274 2.14490 A7 2.10451 -0.00018 0.00000 0.00356 0.00294 2.10745 A8 1.98583 -0.00049 0.00000 0.00412 0.00384 1.98966 A9 1.74326 0.00089 0.00000 -0.00755 -0.00719 1.73607 A10 2.07510 0.00029 0.00000 0.01612 0.01572 2.09081 A11 1.78529 -0.00012 0.00000 -0.00899 -0.00901 1.77628 A12 1.63309 -0.00003 0.00000 -0.03094 -0.03086 1.60222 A13 2.10886 -0.00019 0.00000 -0.00177 -0.00214 2.10672 A14 2.07950 0.00031 0.00000 0.01064 0.01063 2.09013 A15 1.77157 -0.00017 0.00000 0.00564 0.00569 1.77725 A16 1.99040 -0.00049 0.00000 -0.00098 -0.00080 1.98960 A17 1.73838 0.00094 0.00000 -0.00226 -0.00210 1.73629 A18 1.62506 0.00000 0.00000 -0.02075 -0.02077 1.60429 A19 2.03537 -0.00006 0.00000 -0.00276 -0.00376 2.03161 A20 2.14465 0.00016 0.00000 -0.00064 -0.00014 2.14451 A21 2.10316 -0.00010 0.00000 0.00340 0.00390 2.10706 A22 2.13517 0.00018 0.00000 -0.00486 -0.00554 2.12963 A23 2.13583 -0.00038 0.00000 -0.00203 -0.00180 2.13403 A24 2.01169 0.00019 0.00000 0.00619 0.00641 2.01809 A25 1.87615 0.00070 0.00000 0.00800 0.00800 1.88414 A26 1.90498 -0.00051 0.00000 -0.01384 -0.01381 1.89117 A27 1.90653 -0.00047 0.00000 -0.01513 -0.01507 1.89146 A28 2.02196 -0.00018 0.00000 0.00503 0.00510 2.02706 A29 2.02171 -0.00021 0.00000 0.00489 0.00492 2.02663 A30 1.72661 0.00056 0.00000 0.00820 0.00786 1.73447 A31 1.59098 -0.00078 0.00000 -0.03203 -0.03204 1.55894 A32 1.78452 -0.00018 0.00000 -0.00839 -0.00831 1.77621 A33 1.76976 0.00222 0.00000 0.00776 0.00780 1.77756 A34 2.15275 0.00051 0.00000 0.00695 0.00665 2.15940 A35 1.85165 -0.00050 0.00000 0.00585 0.00577 1.85742 A36 2.16305 -0.00062 0.00000 0.00329 0.00309 2.16614 A37 2.17802 0.00049 0.00000 0.00589 0.00578 2.18381 A38 1.89881 -0.00013 0.00000 0.00146 0.00144 1.90025 A39 2.20033 -0.00042 0.00000 -0.00966 -0.00975 2.19058 A40 1.57503 -0.00069 0.00000 -0.01477 -0.01489 1.56014 A41 1.77991 -0.00022 0.00000 -0.00030 -0.00033 1.77958 A42 1.75974 0.00225 0.00000 0.01751 0.01770 1.77743 A43 2.15735 0.00051 0.00000 0.00221 0.00238 2.15973 A44 1.85514 -0.00053 0.00000 0.00140 0.00139 1.85653 A45 2.16942 -0.00058 0.00000 -0.00478 -0.00494 2.16448 A46 1.89901 -0.00010 0.00000 0.00090 0.00087 1.89988 A47 2.20019 -0.00042 0.00000 -0.00922 -0.00936 2.19083 A48 2.17840 0.00046 0.00000 0.00557 0.00540 2.18380 D1 0.12148 0.00061 0.00000 0.06312 0.06300 0.18448 D2 -3.02333 0.00062 0.00000 0.07038 0.07032 -2.95301 D3 -3.05348 0.00018 0.00000 0.03931 0.03921 -3.01427 D4 0.08489 0.00019 0.00000 0.04658 0.04653 0.13142 D5 -0.00008 0.00000 0.00000 -0.00027 -0.00028 -0.00036 D6 3.10600 -0.00044 0.00000 -0.02504 -0.02490 3.08110 D7 -3.10593 0.00044 0.00000 0.02506 0.02492 -3.08101 D8 0.00014 0.00000 0.00000 0.00029 0.00030 0.00045 D9 -0.12600 -0.00056 0.00000 -0.05620 -0.05624 -0.18224 D10 -2.75954 0.00010 0.00000 -0.10828 -0.10811 -2.86764 D11 1.80652 -0.00017 0.00000 -0.07109 -0.07113 1.73539 D12 3.01889 -0.00057 0.00000 -0.06363 -0.06373 2.95516 D13 0.38535 0.00010 0.00000 -0.11571 -0.11560 0.26976 D14 -1.33177 -0.00018 0.00000 -0.07852 -0.07862 -1.41039 D15 0.01313 -0.00002 0.00000 -0.01214 -0.01217 0.00096 D16 -2.62526 0.00094 0.00000 -0.02967 -0.02967 -2.65493 D17 1.90933 0.00094 0.00000 -0.01174 -0.01169 1.89764 D18 2.62130 -0.00095 0.00000 0.03890 0.03903 2.66033 D19 -0.01708 0.00001 0.00000 0.02137 0.02153 0.00445 D20 -1.76568 0.00002 0.00000 0.03931 0.03951 -1.72617 D21 -1.89687 -0.00096 0.00000 0.00199 0.00179 -1.89508 D22 1.74793 0.00000 0.00000 -0.01553 -0.01571 1.73222 D23 -0.00067 0.00000 0.00000 0.00240 0.00227 0.00160 D24 -2.84924 -0.00011 0.00000 -0.00465 -0.00409 -2.85333 D25 1.26035 -0.00038 0.00000 -0.00152 -0.00135 1.25900 D26 -0.98748 -0.00060 0.00000 -0.00496 -0.00458 -0.99206 D27 -0.67625 -0.00001 0.00000 -0.00693 -0.00678 -0.68303 D28 -2.84985 -0.00028 0.00000 -0.00381 -0.00404 -2.85388 D29 1.18551 -0.00050 0.00000 -0.00724 -0.00727 1.17824 D30 1.42865 0.00027 0.00000 -0.00090 -0.00061 1.42805 D31 -0.74494 -0.00001 0.00000 0.00222 0.00213 -0.74281 D32 -2.99277 -0.00023 0.00000 -0.00121 -0.00110 -2.99387 D33 0.10661 0.00058 0.00000 0.07397 0.07409 0.18070 D34 -3.03506 0.00062 0.00000 0.07761 0.07774 -2.95732 D35 2.76888 -0.00012 0.00000 0.09383 0.09379 2.86266 D36 -0.37279 -0.00008 0.00000 0.09747 0.09744 -0.27536 D37 -1.80739 0.00022 0.00000 0.06931 0.06940 -1.73799 D38 1.33413 0.00025 0.00000 0.07294 0.07305 1.40718 D39 0.67826 0.00000 0.00000 0.00170 0.00146 0.67972 D40 2.85158 0.00031 0.00000 0.00009 0.00007 2.85166 D41 -1.18302 0.00054 0.00000 0.00216 0.00214 -1.18088 D42 2.84930 0.00008 0.00000 0.00092 0.00034 2.84965 D43 -1.26056 0.00039 0.00000 -0.00069 -0.00104 -1.26160 D44 0.98802 0.00063 0.00000 0.00138 0.00102 0.98904 D45 -1.42634 -0.00029 0.00000 -0.00480 -0.00501 -1.43135 D46 0.74698 0.00003 0.00000 -0.00641 -0.00640 0.74058 D47 2.99556 0.00026 0.00000 -0.00433 -0.00433 2.99123 D48 -0.11520 -0.00060 0.00000 -0.06848 -0.06833 -0.18353 D49 3.05956 -0.00018 0.00000 -0.04521 -0.04511 3.01445 D50 3.02647 -0.00064 0.00000 -0.07203 -0.07190 2.95457 D51 -0.08196 -0.00022 0.00000 -0.04875 -0.04867 -0.13063 D52 -3.05339 0.00056 0.00000 0.00636 0.00635 -3.04705 D53 -1.21209 -0.00009 0.00000 -0.02446 -0.02454 -1.23662 D54 1.44581 -0.00148 0.00000 0.00737 0.00740 1.45321 D55 -0.93360 0.00096 0.00000 0.00962 0.00963 -0.92397 D56 0.90771 0.00030 0.00000 -0.02120 -0.02126 0.88645 D57 -2.71758 -0.00109 0.00000 0.01063 0.01068 -2.70690 D58 1.23920 0.00100 0.00000 0.02397 0.02400 1.26320 D59 3.08050 0.00034 0.00000 -0.00686 -0.00689 3.07362 D60 -0.54479 -0.00105 0.00000 0.02498 0.02506 -0.51973 D61 3.06713 -0.00061 0.00000 -0.01954 -0.01962 3.04751 D62 1.24152 0.00005 0.00000 -0.00941 -0.00939 1.23213 D63 -1.44705 0.00150 0.00000 -0.00559 -0.00552 -1.45257 D64 0.94630 -0.00101 0.00000 -0.02169 -0.02180 0.92450 D65 -0.87931 -0.00036 0.00000 -0.01157 -0.01157 -0.89088 D66 2.71531 0.00110 0.00000 -0.00774 -0.00770 2.70761 D67 -1.22666 -0.00107 0.00000 -0.03613 -0.03630 -1.26296 D68 -3.05228 -0.00042 0.00000 -0.02600 -0.02607 -3.07834 D69 0.54234 0.00104 0.00000 -0.02218 -0.02219 0.52015 D70 1.74657 0.00016 0.00000 -0.01323 -0.01324 1.73334 D71 -1.28324 0.00078 0.00000 0.00882 0.00893 -1.27431 D72 -2.88614 -0.00011 0.00000 -0.04365 -0.04370 -2.92984 D73 0.36723 0.00052 0.00000 -0.02160 -0.02153 0.34570 D74 -0.23187 -0.00112 0.00000 -0.01028 -0.01034 -0.24221 D75 3.02150 -0.00049 0.00000 0.01176 0.01182 3.03333 D76 -0.00576 0.00000 0.00000 0.00696 0.00692 0.00116 D77 3.02632 -0.00053 0.00000 -0.01935 -0.01922 3.00710 D78 -3.03378 0.00056 0.00000 0.02809 0.02794 -3.00584 D79 -0.00170 0.00003 0.00000 0.00178 0.00180 0.00010 D80 1.27244 -0.00068 0.00000 0.00129 0.00119 1.27363 D81 -1.76133 -0.00009 0.00000 0.02833 0.02834 -1.73299 D82 -0.35877 -0.00051 0.00000 0.01136 0.01135 -0.34742 D83 2.89065 0.00008 0.00000 0.03841 0.03850 2.92914 D84 -3.04336 0.00060 0.00000 0.01290 0.01281 -3.03055 D85 0.20605 0.00119 0.00000 0.03994 0.03997 0.24602 Item Value Threshold Converged? Maximum Force 0.003980 0.000450 NO RMS Force 0.000925 0.000300 NO Maximum Displacement 0.182310 0.001800 NO RMS Displacement 0.034687 0.001200 NO Predicted change in Energy= 5.599842D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.155102 -1.855553 0.021031 2 6 0 0.986173 -2.671843 -0.905946 3 6 0 2.034675 -1.949040 -1.658371 4 6 0 2.079255 -0.538024 -1.659674 5 6 0 1.078336 0.250315 -0.907008 6 6 0 0.197438 -0.511028 0.020314 7 1 0 -0.526597 -2.414453 0.657636 8 1 0 2.432313 -2.502299 -2.504106 9 1 0 2.507431 -0.012956 -2.508731 10 1 0 -0.447375 0.090469 0.656535 11 8 0 0.790600 -3.877663 -1.026316 12 8 0 0.960267 1.466158 -1.027625 13 6 0 4.538996 -1.321856 -1.079756 14 1 0 5.580170 -1.354148 -0.718401 15 1 0 4.561339 -1.325212 -2.170840 16 6 0 3.772557 -2.449639 -0.425473 17 1 0 3.920089 -3.496994 -0.665919 18 6 0 3.374725 -1.978977 0.839132 19 1 0 2.970828 -2.594648 1.635268 20 6 0 3.845687 -0.144123 -0.431579 21 1 0 4.062079 0.890729 -0.674336 22 6 0 3.419674 -0.583128 0.836396 23 1 0 3.056491 0.060561 1.629945 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.488723 0.000000 3 C 2.522287 1.479170 0.000000 4 C 2.874546 2.513189 1.411721 0.000000 5 C 2.479575 2.923611 2.513224 1.479805 0.000000 6 C 1.345191 2.479754 2.874248 2.522761 1.488472 7 H 1.087358 2.190779 3.484339 3.959971 3.482083 8 H 3.461256 2.161985 1.086038 2.167047 3.458448 9 H 3.915139 3.457286 2.166802 1.086246 2.162670 10 H 2.133973 3.482352 3.959666 3.484779 2.190436 11 O 2.364260 1.227494 2.380506 3.635240 4.139714 12 O 3.575155 4.139871 3.635350 2.380832 1.227503 13 C 4.551384 3.804632 2.645709 2.645945 3.804961 14 H 5.498140 4.782918 3.715908 3.715974 4.782927 15 H 4.949796 4.024323 2.652510 2.653620 4.026272 16 C 3.693005 2.836223 2.188806 2.836335 3.844536 17 H 4.164296 3.057179 2.633611 3.623772 4.709140 18 C 3.324229 3.038180 2.834458 3.162059 3.645840 19 H 3.328714 3.225304 3.484430 3.985128 4.258932 20 C 4.093198 3.845935 2.835931 2.187158 2.835463 21 H 4.825979 4.712405 3.625324 2.635112 3.060554 22 C 3.597404 3.649714 3.163510 2.833570 3.035778 23 H 3.831208 4.264152 3.986932 3.483516 3.222613 6 7 8 9 10 6 C 0.000000 7 H 2.133877 0.000000 8 H 3.915676 4.331221 0.000000 9 H 3.461244 4.999840 2.490481 0.000000 10 H 1.087364 2.506174 5.000470 4.331337 0.000000 11 O 3.575123 2.590692 2.602059 4.481186 4.484489 12 O 2.364181 4.484419 4.482808 2.602915 2.590439 13 C 4.551563 5.465577 2.803629 2.807569 5.465644 14 H 5.498215 6.349042 3.796841 3.800764 6.348911 15 H 4.950523 5.922314 2.455474 2.460635 5.923294 16 C 4.091261 4.433632 2.473812 3.446438 5.042888 17 H 4.821311 4.764106 2.565507 4.186894 5.804611 18 C 3.594508 3.929745 3.512727 3.978143 4.350217 19 H 3.826388 3.635962 4.175278 4.904345 4.455545 20 C 3.694395 5.045558 3.442963 2.474408 4.435020 21 H 4.169283 5.809848 4.185312 2.568770 4.769362 22 C 3.324755 4.354166 3.977066 3.513852 3.929396 23 H 3.330438 4.462018 4.903899 4.175585 3.636688 11 12 13 14 15 11 O 0.000000 12 O 5.346514 0.000000 13 C 4.537123 4.536853 0.000000 14 H 5.422447 5.421554 1.102572 0.000000 15 H 4.695041 4.697489 1.091317 1.774382 0.000000 16 C 3.360407 4.858501 1.512419 2.133863 2.220994 17 H 3.173089 5.790013 2.299029 2.711164 2.718937 18 C 3.709799 4.602536 2.338689 2.771337 3.300816 19 H 3.671996 5.255806 3.383860 3.726562 4.315976 20 C 4.860720 3.357667 1.512569 2.134212 2.220846 21 H 5.793448 3.174456 2.299423 2.710354 2.720143 22 C 4.608220 3.704434 2.338854 2.771211 3.301144 23 H 5.263040 3.665042 3.383988 3.726270 4.316352 16 17 18 19 20 16 C 0.000000 17 H 1.084680 0.000000 18 C 1.406776 2.206122 0.000000 19 H 2.215954 2.647789 1.084443 0.000000 20 C 2.306684 3.361873 2.281052 3.322996 0.000000 21 H 3.362115 4.390028 3.316362 4.321221 1.084747 22 C 2.280505 3.316320 1.396575 2.210401 1.407825 23 H 3.322439 4.321225 2.210514 2.656595 2.216891 21 22 23 21 H 0.000000 22 C 2.206184 0.000000 23 H 2.647659 1.084416 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.906580 -0.663015 0.719854 2 6 0 -1.114108 -1.456777 -0.259038 3 6 0 -0.134100 -0.706338 -1.074128 4 6 0 -0.126676 0.705362 -1.075280 5 6 0 -1.098790 1.466794 -0.259781 6 6 0 -1.899615 0.682158 0.719287 7 1 0 -2.532181 -1.239916 1.396726 8 1 0 0.224135 -1.248586 -1.944251 9 1 0 0.233566 1.241873 -1.948384 10 1 0 -2.518843 1.266222 1.395885 11 8 0 -1.285177 -2.667268 -0.369437 12 8 0 -1.255999 2.679167 -0.370236 13 6 0 2.384254 -0.013810 -0.652143 14 1 0 3.446509 -0.018886 -0.356754 15 1 0 2.338283 -0.016100 -1.742489 16 6 0 1.690121 -1.161632 0.046494 17 1 0 1.849692 -2.204642 -0.204898 18 6 0 1.360096 -0.702141 1.334505 19 1 0 1.023137 -1.328563 2.153083 20 6 0 1.702292 1.145012 0.040625 21 1 0 1.875862 2.185300 -0.213050 22 6 0 1.368197 0.694408 1.331867 23 1 0 1.038698 1.327982 2.147938 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448920 0.9954169 0.6686454 Standard basis: 6-31G(d) (6D, 7F) There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 777.3069008847 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 215 RedAO= T EigKep= 6.20D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 Initial guess from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jr814\Desktop\3rd year computational lab\Exercise2\endo_opt+freq_as_TS_unfreeze_endo_JiajunREN.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999919 0.000188 -0.012005 -0.004233 Ang= 1.46 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -575.529167231 A.U. after 13 cycles NFock= 13 Conv=0.96D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000246675 0.000022571 -0.000168168 2 6 -0.000712146 -0.000140126 0.000459218 3 6 0.001379422 -0.001367566 0.000343902 4 6 0.001325818 0.001394792 0.000301026 5 6 -0.000511373 0.000266516 0.000259423 6 6 -0.000243759 -0.000016566 -0.000073549 7 1 0.000011038 0.000027709 0.000065940 8 1 -0.000269307 0.000056085 -0.000363043 9 1 -0.000198573 -0.000039238 -0.000168251 10 1 -0.000007196 -0.000043161 0.000060706 11 8 0.000145078 0.000349498 -0.000053208 12 8 0.000079420 -0.000453866 -0.000060554 13 6 0.000551979 0.000045160 0.000405954 14 1 0.000008108 0.000026196 -0.000097760 15 1 -0.000021040 -0.000027084 -0.000024806 16 6 -0.000895204 -0.000115334 -0.001691257 17 1 0.000254365 -0.000047087 0.000196227 18 6 -0.000092830 -0.000202538 0.001005324 19 1 0.000119431 0.000002872 0.000059847 20 6 -0.000962264 -0.000095121 -0.000909550 21 1 0.000172173 -0.000013394 0.000061444 22 6 0.000006477 0.000370720 0.000330950 23 1 0.000107056 -0.000001040 0.000060186 ------------------------------------------------------------------- Cartesian Forces: Max 0.001691257 RMS 0.000496761 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000941776 RMS 0.000188616 Search for a saddle point. Step number 3 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 2 3 ITU= 0 0 0 Eigenvalues --- -0.02793 0.00139 0.00462 0.00549 0.00792 Eigenvalues --- 0.01195 0.01243 0.01455 0.01651 0.01898 Eigenvalues --- 0.02056 0.02191 0.02375 0.02876 0.03071 Eigenvalues --- 0.03278 0.03537 0.03747 0.03905 0.04203 Eigenvalues --- 0.04250 0.04689 0.05140 0.05212 0.05396 Eigenvalues --- 0.06242 0.07597 0.07965 0.09608 0.09908 Eigenvalues --- 0.10213 0.10550 0.10881 0.11963 0.13683 Eigenvalues --- 0.15995 0.16100 0.17769 0.20557 0.21104 Eigenvalues --- 0.22697 0.23847 0.24524 0.27334 0.28134 Eigenvalues --- 0.29791 0.30393 0.31343 0.31792 0.33174 Eigenvalues --- 0.34012 0.34122 0.34450 0.35037 0.35048 Eigenvalues --- 0.38219 0.38426 0.38452 0.38563 0.44246 Eigenvalues --- 0.58980 0.87542 0.87765 Eigenvectors required to have negative eigenvalues: R11 R8 D16 D18 D69 1 0.57430 0.55918 -0.15024 0.14811 -0.14238 D60 R6 D36 D13 D63 1 0.14125 -0.12089 0.11510 -0.11199 -0.10176 RFO step: Lambda0=6.098437048D-05 Lambda=-2.50113054D-05. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00578378 RMS(Int)= 0.00001707 Iteration 2 RMS(Cart)= 0.00001730 RMS(Int)= 0.00000955 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000955 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.81328 0.00006 0.00000 -0.00072 -0.00073 2.81255 R2 2.54204 -0.00005 0.00000 -0.00037 -0.00037 2.54167 R3 2.05481 0.00002 0.00000 0.00000 0.00000 2.05481 R4 2.79523 0.00061 0.00000 0.00331 0.00331 2.79854 R5 2.31963 -0.00036 0.00000 -0.00051 -0.00051 2.31912 R6 2.66777 0.00094 0.00000 -0.00257 -0.00257 2.66519 R7 2.05231 0.00016 0.00000 0.00044 0.00044 2.05275 R8 4.13624 -0.00047 0.00000 0.01103 0.01103 4.14727 R9 2.79643 0.00045 0.00000 -0.00080 -0.00080 2.79563 R10 2.05271 0.00003 0.00000 -0.00039 -0.00039 2.05232 R11 4.13313 -0.00054 0.00000 0.04323 0.04322 4.17635 R12 2.81280 0.00015 0.00000 0.00049 0.00049 2.81329 R13 2.31964 -0.00045 0.00000 -0.00006 -0.00006 2.31958 R14 2.05482 0.00002 0.00000 -0.00001 -0.00001 2.05481 R15 2.08356 -0.00002 0.00000 0.00012 0.00012 2.08368 R16 2.06229 0.00002 0.00000 0.00005 0.00005 2.06234 R17 2.85806 0.00022 0.00000 -0.00014 -0.00015 2.85791 R18 2.85834 0.00024 0.00000 -0.00147 -0.00146 2.85689 R19 2.04975 0.00004 0.00000 0.00008 0.00008 2.04983 R20 2.65842 0.00088 0.00000 -0.00048 -0.00048 2.65794 R21 2.04930 0.00000 0.00000 -0.00006 -0.00006 2.04924 R22 2.63914 0.00029 0.00000 0.00410 0.00409 2.64323 R23 2.04987 0.00001 0.00000 -0.00025 -0.00025 2.04963 R24 2.66040 0.00039 0.00000 -0.00550 -0.00550 2.65490 R25 2.04925 0.00001 0.00000 0.00005 0.00005 2.04930 A1 2.12957 0.00002 0.00000 -0.00070 -0.00071 2.12886 A2 2.01827 0.00004 0.00000 0.00050 0.00050 2.01878 A3 2.13387 -0.00006 0.00000 0.00036 0.00036 2.13423 A4 2.03142 0.00025 0.00000 0.00195 0.00194 2.03336 A5 2.10685 0.00002 0.00000 0.00025 0.00026 2.10711 A6 2.14490 -0.00027 0.00000 -0.00221 -0.00220 2.14270 A7 2.10745 -0.00029 0.00000 -0.00166 -0.00165 2.10580 A8 1.98966 0.00013 0.00000 0.00000 0.00000 1.98967 A9 1.73607 0.00035 0.00000 -0.00038 -0.00038 1.73569 A10 2.09081 0.00003 0.00000 0.00031 0.00030 2.09111 A11 1.77628 -0.00004 0.00000 0.00316 0.00316 1.77944 A12 1.60222 0.00000 0.00000 0.00010 0.00010 1.60233 A13 2.10672 -0.00026 0.00000 0.00110 0.00108 2.10781 A14 2.09013 0.00004 0.00000 0.00307 0.00303 2.09316 A15 1.77725 -0.00003 0.00000 -0.00453 -0.00453 1.77272 A16 1.98960 0.00010 0.00000 0.00191 0.00188 1.99148 A17 1.73629 0.00033 0.00000 -0.00221 -0.00220 1.73409 A18 1.60429 -0.00002 0.00000 -0.00636 -0.00635 1.59794 A19 2.03161 0.00026 0.00000 0.00142 0.00141 2.03303 A20 2.14451 -0.00024 0.00000 -0.00060 -0.00061 2.14390 A21 2.10706 -0.00002 0.00000 -0.00083 -0.00083 2.10623 A22 2.12963 0.00002 0.00000 -0.00019 -0.00020 2.12943 A23 2.13403 -0.00008 0.00000 -0.00015 -0.00015 2.13387 A24 2.01809 0.00005 0.00000 0.00042 0.00042 2.01851 A25 1.88414 -0.00002 0.00000 -0.00131 -0.00131 1.88283 A26 1.89117 0.00005 0.00000 -0.00072 -0.00073 1.89045 A27 1.89146 0.00001 0.00000 -0.00050 -0.00050 1.89096 A28 2.02706 -0.00006 0.00000 -0.00007 -0.00007 2.02699 A29 2.02663 -0.00001 0.00000 0.00044 0.00044 2.02707 A30 1.73447 0.00004 0.00000 0.00228 0.00227 1.73674 A31 1.55894 -0.00001 0.00000 0.00138 0.00138 1.56032 A32 1.77621 0.00003 0.00000 0.00182 0.00182 1.77802 A33 1.77756 0.00023 0.00000 -0.00016 -0.00015 1.77741 A34 2.15940 0.00007 0.00000 -0.00007 -0.00006 2.15934 A35 1.85742 -0.00009 0.00000 -0.00008 -0.00009 1.85733 A36 2.16614 -0.00010 0.00000 -0.00129 -0.00130 2.16484 A37 2.18381 0.00010 0.00000 0.00072 0.00072 2.18452 A38 1.90025 -0.00014 0.00000 -0.00024 -0.00025 1.90001 A39 2.19058 0.00005 0.00000 -0.00023 -0.00023 2.19036 A40 1.56014 0.00000 0.00000 -0.00749 -0.00748 1.55266 A41 1.77958 -0.00005 0.00000 -0.00354 -0.00353 1.77604 A42 1.77743 0.00027 0.00000 -0.00381 -0.00381 1.77363 A43 2.15973 0.00000 0.00000 0.00069 0.00063 2.16037 A44 1.85653 0.00002 0.00000 0.00274 0.00271 1.85924 A45 2.16448 -0.00011 0.00000 0.00348 0.00345 2.16793 A46 1.89988 0.00004 0.00000 0.00057 0.00057 1.90045 A47 2.19083 -0.00003 0.00000 -0.00066 -0.00067 2.19015 A48 2.18380 0.00000 0.00000 0.00088 0.00087 2.18468 D1 0.18448 -0.00001 0.00000 -0.00600 -0.00600 0.17848 D2 -2.95301 0.00009 0.00000 -0.00404 -0.00404 -2.95705 D3 -3.01427 -0.00001 0.00000 -0.00296 -0.00296 -3.01723 D4 0.13142 0.00009 0.00000 -0.00100 -0.00100 0.13042 D5 -0.00036 0.00000 0.00000 0.00116 0.00116 0.00081 D6 3.08110 -0.00001 0.00000 0.00263 0.00263 3.08373 D7 -3.08101 0.00000 0.00000 -0.00208 -0.00208 -3.08309 D8 0.00045 -0.00001 0.00000 -0.00061 -0.00061 -0.00017 D9 -0.18224 0.00004 0.00000 0.00390 0.00390 -0.17834 D10 -2.86764 0.00031 0.00000 0.00680 0.00680 -2.86084 D11 1.73539 0.00012 0.00000 0.00687 0.00687 1.74226 D12 2.95516 -0.00006 0.00000 0.00190 0.00190 2.95706 D13 0.26976 0.00021 0.00000 0.00480 0.00480 0.27456 D14 -1.41039 0.00002 0.00000 0.00487 0.00487 -1.40553 D15 0.00096 -0.00001 0.00000 0.00273 0.00273 0.00369 D16 -2.65493 0.00023 0.00000 -0.01211 -0.01212 -2.66705 D17 1.89764 0.00026 0.00000 -0.00270 -0.00269 1.89495 D18 2.66033 -0.00028 0.00000 -0.00046 -0.00046 2.65988 D19 0.00445 -0.00004 0.00000 -0.01530 -0.01531 -0.01087 D20 -1.72617 0.00000 0.00000 -0.00589 -0.00588 -1.73205 D21 -1.89508 -0.00030 0.00000 0.00169 0.00170 -1.89338 D22 1.73222 -0.00006 0.00000 -0.01315 -0.01316 1.71906 D23 0.00160 -0.00003 0.00000 -0.00374 -0.00373 -0.00213 D24 -2.85333 0.00024 0.00000 0.00488 0.00489 -2.84843 D25 1.25900 0.00016 0.00000 0.00438 0.00438 1.26338 D26 -0.99206 0.00016 0.00000 0.00509 0.00509 -0.98697 D27 -0.68303 0.00004 0.00000 0.00404 0.00406 -0.67897 D28 -2.85388 -0.00004 0.00000 0.00354 0.00355 -2.85033 D29 1.17824 -0.00004 0.00000 0.00425 0.00426 1.18249 D30 1.42805 0.00006 0.00000 0.00490 0.00491 1.43296 D31 -0.74281 -0.00001 0.00000 0.00440 0.00440 -0.73841 D32 -2.99387 -0.00002 0.00000 0.00511 0.00511 -2.98876 D33 0.18070 -0.00003 0.00000 -0.00752 -0.00752 0.17318 D34 -2.95732 0.00008 0.00000 -0.00278 -0.00279 -2.96010 D35 2.86266 -0.00026 0.00000 0.00684 0.00684 2.86950 D36 -0.27536 -0.00016 0.00000 0.01158 0.01158 -0.26378 D37 -1.73799 -0.00011 0.00000 -0.00087 -0.00086 -1.73885 D38 1.40718 -0.00001 0.00000 0.00387 0.00387 1.41105 D39 0.67972 0.00001 0.00000 0.00393 0.00393 0.68365 D40 2.85166 0.00001 0.00000 0.00230 0.00231 2.85396 D41 -1.18088 -0.00002 0.00000 0.00294 0.00293 -1.17795 D42 2.84965 -0.00016 0.00000 0.00274 0.00275 2.85239 D43 -1.26160 -0.00016 0.00000 0.00112 0.00112 -1.26048 D44 0.98904 -0.00019 0.00000 0.00175 0.00175 0.99079 D45 -1.43135 -0.00002 0.00000 0.00318 0.00317 -1.42818 D46 0.74058 -0.00003 0.00000 0.00155 0.00155 0.74213 D47 2.99123 -0.00005 0.00000 0.00218 0.00217 2.99340 D48 -0.18353 0.00000 0.00000 0.00562 0.00562 -0.17791 D49 3.01445 0.00001 0.00000 0.00426 0.00426 3.01872 D50 2.95457 -0.00010 0.00000 0.00099 0.00099 2.95556 D51 -0.13063 -0.00009 0.00000 -0.00036 -0.00037 -0.13099 D52 -3.04705 0.00009 0.00000 0.00684 0.00684 -3.04020 D53 -1.23662 0.00013 0.00000 0.00998 0.00998 -1.22664 D54 1.45321 -0.00015 0.00000 0.00660 0.00659 1.45980 D55 -0.92397 0.00006 0.00000 0.00450 0.00451 -0.91946 D56 0.88645 0.00011 0.00000 0.00764 0.00764 0.89409 D57 -2.70690 -0.00017 0.00000 0.00426 0.00426 -2.70264 D58 1.26320 0.00004 0.00000 0.00664 0.00665 1.26985 D59 3.07362 0.00009 0.00000 0.00978 0.00979 3.08340 D60 -0.51973 -0.00019 0.00000 0.00640 0.00640 -0.51333 D61 3.04751 -0.00015 0.00000 -0.00226 -0.00226 3.04525 D62 1.23213 -0.00009 0.00000 0.00706 0.00705 1.23918 D63 -1.45257 0.00014 0.00000 -0.00833 -0.00833 -1.46090 D64 0.92450 -0.00012 0.00000 -0.00045 -0.00044 0.92406 D65 -0.89088 -0.00007 0.00000 0.00887 0.00887 -0.88202 D66 2.70761 0.00016 0.00000 -0.00651 -0.00652 2.70109 D67 -1.26296 -0.00007 0.00000 -0.00224 -0.00224 -1.26520 D68 -3.07834 -0.00001 0.00000 0.00708 0.00707 -3.07127 D69 0.52015 0.00022 0.00000 -0.00830 -0.00831 0.51183 D70 1.73334 0.00010 0.00000 -0.00125 -0.00124 1.73209 D71 -1.27431 0.00008 0.00000 -0.00311 -0.00311 -1.27742 D72 -2.92984 0.00015 0.00000 0.00016 0.00016 -2.92968 D73 0.34570 0.00013 0.00000 -0.00170 -0.00170 0.34399 D74 -0.24221 -0.00008 0.00000 -0.00283 -0.00284 -0.24505 D75 3.03333 -0.00010 0.00000 -0.00470 -0.00470 3.02863 D76 0.00116 -0.00002 0.00000 -0.00456 -0.00455 -0.00339 D77 3.00710 0.00003 0.00000 0.00169 0.00168 3.00879 D78 -3.00584 -0.00005 0.00000 -0.00652 -0.00651 -3.01235 D79 0.00010 0.00001 0.00000 -0.00027 -0.00028 -0.00017 D80 1.27363 -0.00001 0.00000 -0.00003 -0.00003 1.27360 D81 -1.73299 -0.00006 0.00000 -0.00609 -0.00610 -1.73908 D82 -0.34742 -0.00010 0.00000 0.00850 0.00850 -0.33892 D83 2.92914 -0.00015 0.00000 0.00243 0.00244 2.93158 D84 -3.03055 0.00009 0.00000 -0.00601 -0.00603 -3.03658 D85 0.24602 0.00004 0.00000 -0.01208 -0.01210 0.23392 Item Value Threshold Converged? Maximum Force 0.000942 0.000450 NO RMS Force 0.000189 0.000300 YES Maximum Displacement 0.019376 0.001800 NO RMS Displacement 0.005789 0.001200 NO Predicted change in Energy= 1.801840D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.148174 -1.853668 0.019984 2 6 0 0.983467 -2.671092 -0.901566 3 6 0 2.031202 -1.949289 -1.659449 4 6 0 2.072171 -0.539536 -1.665240 5 6 0 1.073430 0.249715 -0.911472 6 6 0 0.189962 -0.509329 0.015703 7 1 0 -0.533642 -2.411475 0.657422 8 1 0 2.426285 -2.504520 -2.505387 9 1 0 2.507288 -0.013557 -2.509933 10 1 0 -0.456031 0.093476 0.649476 11 8 0 0.792482 -3.877855 -1.017018 12 8 0 0.955303 1.465281 -1.034472 13 6 0 4.541283 -1.319508 -1.078986 14 1 0 5.584355 -1.356317 -0.723381 15 1 0 4.559183 -1.317858 -2.170183 16 6 0 3.776725 -2.449738 -0.426909 17 1 0 3.927430 -3.496538 -0.667984 18 6 0 3.379573 -1.982667 0.838957 19 1 0 2.977138 -2.600089 1.634434 20 6 0 3.855940 -0.142844 -0.422248 21 1 0 4.069394 0.892274 -0.665884 22 6 0 3.425305 -0.584676 0.839939 23 1 0 3.063837 0.056460 1.636371 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.488339 0.000000 3 C 2.524962 1.480923 0.000000 4 C 2.875533 2.512370 1.410360 0.000000 5 C 2.479502 2.922209 2.512452 1.479381 0.000000 6 C 1.344996 2.478761 2.875723 2.523726 1.488730 7 H 1.087358 2.190768 3.487109 3.960956 3.482246 8 H 3.462787 2.163726 1.086270 2.166196 3.457831 9 H 3.918151 3.459966 2.167266 1.086042 2.163409 10 H 2.133704 3.481483 3.961105 3.485745 2.190940 11 O 2.363860 1.227225 2.380443 3.633479 4.138467 12 O 3.574739 4.138604 3.634204 2.380032 1.227470 13 C 4.559876 3.810027 2.652182 2.654913 3.810056 14 H 5.509267 4.788377 3.721927 3.726884 4.791990 15 H 4.953880 4.028198 2.655230 2.654427 4.023943 16 C 3.704240 2.841933 2.194643 2.843913 3.850929 17 H 4.177930 3.066405 2.640581 3.630478 4.715827 18 C 3.336060 3.040505 2.839235 3.172213 3.655931 19 H 3.341651 3.226617 3.488266 3.994082 4.269324 20 C 4.107313 3.856538 2.850189 2.210029 2.852334 21 H 4.835967 4.719753 3.635365 2.652865 3.073922 22 C 3.608636 3.653565 3.170588 2.847618 3.048764 23 H 3.842185 4.267154 3.993970 3.498464 3.238915 6 7 8 9 10 6 C 0.000000 7 H 2.133908 0.000000 8 H 3.916353 4.332802 0.000000 9 H 3.463326 5.002939 2.492284 0.000000 10 H 1.087358 2.506165 5.001048 4.332964 0.000000 11 O 3.574424 2.590873 2.602038 4.483543 4.484133 12 O 2.363832 4.484272 4.481818 2.602422 2.590250 13 C 4.559466 5.473789 2.812844 2.808960 5.473322 14 H 5.510274 6.360021 3.803593 3.803040 6.361832 15 H 4.951961 5.926906 2.463694 2.454976 5.924079 16 C 4.101947 4.444828 2.479266 3.447527 5.053985 17 H 4.833169 4.778622 2.571690 4.188167 5.817099 18 C 3.608614 3.940823 3.516493 3.981626 4.365562 19 H 3.841864 3.649069 4.177402 4.907819 4.473487 20 C 3.710190 5.057747 3.458452 2.488776 4.449443 21 H 4.180795 5.818404 4.197831 2.580934 4.779929 22 C 3.339534 4.363916 3.984350 3.520025 3.944735 23 H 3.347512 4.471118 4.911135 4.184076 3.655790 11 12 13 14 15 11 O 0.000000 12 O 5.345645 0.000000 13 C 4.538996 4.540516 0.000000 14 H 5.422769 5.430130 1.102637 0.000000 15 H 4.698023 4.692936 1.091345 1.773609 0.000000 16 C 3.360573 4.863839 1.512340 2.133306 2.220901 17 H 3.177283 5.795473 2.298956 2.707216 2.720729 18 C 3.705323 4.612502 2.338345 2.773857 3.299754 19 H 3.665460 5.266698 3.383649 3.728786 4.315332 20 C 4.867118 3.372622 1.511799 2.133217 2.220469 21 H 5.797894 3.187751 2.298980 2.711932 2.717994 22 C 4.607067 3.717075 2.338302 2.775049 3.299101 23 H 5.261023 3.682946 3.383682 3.730601 4.314472 16 17 18 19 20 16 C 0.000000 17 H 1.084721 0.000000 18 C 1.406521 2.205181 0.000000 19 H 2.216095 2.647225 1.084411 0.000000 20 C 2.308258 3.363445 2.280902 3.322693 0.000000 21 H 3.363303 4.391108 3.317482 4.322162 1.084615 22 C 2.281853 3.317364 1.398739 2.212231 1.404912 23 H 3.323607 4.321996 2.212148 2.657965 2.214738 21 22 23 21 H 0.000000 22 C 2.205387 0.000000 23 H 2.647661 1.084445 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.906534 -0.678228 0.720634 2 6 0 -1.105204 -1.463853 -0.257023 3 6 0 -0.133683 -0.704379 -1.077072 4 6 0 -0.141052 0.705961 -1.078194 5 6 0 -1.115269 1.458339 -0.257585 6 6 0 -1.910768 0.666761 0.720629 7 1 0 -2.526452 -1.260926 1.397769 8 1 0 0.224590 -1.243250 -1.949563 9 1 0 0.220526 1.249028 -1.946425 10 1 0 -2.534593 1.245226 1.397806 11 8 0 -1.262169 -2.676094 -0.366178 12 8 0 -1.282283 2.669512 -0.366428 13 6 0 2.385805 0.009170 -0.656240 14 1 0 3.450303 0.007007 -0.368755 15 1 0 2.333164 0.014678 -1.746301 16 6 0 1.703741 -1.148489 0.037870 17 1 0 1.874018 -2.188799 -0.217826 18 6 0 1.373504 -0.699046 1.329089 19 1 0 1.044447 -1.332238 2.145629 20 6 0 1.704737 1.159741 0.049359 21 1 0 1.866758 2.202275 -0.202159 22 6 0 1.371721 0.699682 1.334358 23 1 0 1.040862 1.325705 2.155728 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448003 0.9906736 0.6666394 Standard basis: 6-31G(d) (6D, 7F) There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 776.5309859656 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 215 RedAO= T EigKep= 6.19D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 Initial guess from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jr814\Desktop\3rd year computational lab\Exercise2\endo_opt+freq_as_TS_unfreeze_endo_JiajunREN.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999991 -0.000956 -0.000917 -0.004039 Ang= -0.49 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -575.529143944 A.U. after 11 cycles NFock= 11 Conv=0.35D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000014743 0.000033885 0.000021378 2 6 -0.000158337 -0.000065453 -0.000064906 3 6 0.000034142 -0.000086044 0.000005893 4 6 0.000355786 0.000081231 0.000157471 5 6 -0.000264766 0.000069891 0.000075133 6 6 -0.000033405 -0.000014949 -0.000035856 7 1 0.000005763 0.000001713 -0.000002798 8 1 0.000021694 -0.000016005 0.000032343 9 1 -0.000095996 0.000004732 -0.000122945 10 1 0.000006951 0.000003146 0.000001413 11 8 0.000038657 0.000089646 -0.000020001 12 8 0.000069595 -0.000083775 -0.000006761 13 6 0.000151035 -0.000034641 0.000010086 14 1 -0.000015723 -0.000004990 -0.000021789 15 1 -0.000011602 0.000006898 -0.000015470 16 6 -0.000083439 -0.000019106 0.000133618 17 1 0.000036630 -0.000003179 0.000000218 18 6 -0.000018357 -0.000235205 -0.000090927 19 1 0.000032976 -0.000013165 0.000015701 20 6 -0.000178882 0.000195758 -0.000659053 21 1 0.000096393 0.000016271 0.000092972 22 6 -0.000034939 0.000073332 0.000486102 23 1 0.000031082 0.000000010 0.000008177 ------------------------------------------------------------------- Cartesian Forces: Max 0.000659053 RMS 0.000132826 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000416401 RMS 0.000053454 Search for a saddle point. Step number 4 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 ITU= 0 0 0 0 Eigenvalues --- -0.02618 0.00290 0.00466 0.00545 0.00794 Eigenvalues --- 0.01186 0.01244 0.01436 0.01651 0.01909 Eigenvalues --- 0.02056 0.02192 0.02375 0.02872 0.03071 Eigenvalues --- 0.03281 0.03542 0.03753 0.03904 0.04201 Eigenvalues --- 0.04254 0.04684 0.05140 0.05212 0.05395 Eigenvalues --- 0.06244 0.07597 0.07966 0.09610 0.09909 Eigenvalues --- 0.10216 0.10554 0.10888 0.11964 0.13670 Eigenvalues --- 0.15976 0.16102 0.17773 0.20559 0.21101 Eigenvalues --- 0.22698 0.23857 0.24529 0.27408 0.28134 Eigenvalues --- 0.29788 0.30388 0.31343 0.31795 0.33177 Eigenvalues --- 0.34017 0.34134 0.34450 0.35038 0.35048 Eigenvalues --- 0.38219 0.38426 0.38452 0.38563 0.44273 Eigenvalues --- 0.58982 0.87545 0.87769 Eigenvectors required to have negative eigenvalues: R8 R11 D18 D60 D69 1 0.58637 0.55792 0.15227 0.14239 -0.14130 D16 D13 R6 D10 R20 1 -0.13669 -0.12056 -0.11961 -0.10594 -0.10297 RFO step: Lambda0=6.879289541D-07 Lambda=-8.05148123D-06. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00292331 RMS(Int)= 0.00000721 Iteration 2 RMS(Cart)= 0.00000732 RMS(Int)= 0.00000406 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000406 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.81255 0.00002 0.00000 0.00041 0.00040 2.81296 R2 2.54167 -0.00002 0.00000 -0.00005 -0.00005 2.54162 R3 2.05481 -0.00001 0.00000 -0.00001 -0.00001 2.05480 R4 2.79854 0.00003 0.00000 -0.00154 -0.00154 2.79700 R5 2.31912 -0.00009 0.00000 0.00018 0.00018 2.31930 R6 2.66519 0.00009 0.00000 -0.00035 -0.00035 2.66484 R7 2.05275 -0.00001 0.00000 -0.00026 -0.00026 2.05249 R8 4.14727 0.00005 0.00000 0.01854 0.01854 4.16581 R9 2.79563 0.00015 0.00000 0.00196 0.00196 2.79758 R10 2.05232 0.00006 0.00000 0.00031 0.00031 2.05263 R11 4.17635 -0.00005 0.00000 -0.01394 -0.01394 4.16240 R12 2.81329 -0.00002 0.00000 -0.00050 -0.00050 2.81279 R13 2.31958 -0.00009 0.00000 -0.00034 -0.00034 2.31924 R14 2.05481 0.00000 0.00000 -0.00001 -0.00001 2.05480 R15 2.08368 -0.00002 0.00000 -0.00004 -0.00004 2.08364 R16 2.06234 0.00001 0.00000 0.00003 0.00003 2.06237 R17 2.85791 0.00011 0.00000 -0.00051 -0.00050 2.85741 R18 2.85689 0.00008 0.00000 0.00071 0.00071 2.85760 R19 2.04983 0.00001 0.00000 -0.00013 -0.00013 2.04970 R20 2.65794 -0.00003 0.00000 -0.00200 -0.00200 2.65594 R21 2.04924 0.00001 0.00000 0.00005 0.00005 2.04928 R22 2.64323 0.00018 0.00000 0.00053 0.00052 2.64376 R23 2.04963 0.00001 0.00000 0.00014 0.00014 2.04977 R24 2.65490 0.00042 0.00000 0.00187 0.00186 2.65676 R25 2.04930 0.00000 0.00000 -0.00004 -0.00004 2.04927 A1 2.12886 0.00001 0.00000 0.00023 0.00023 2.12909 A2 2.01878 -0.00001 0.00000 -0.00011 -0.00011 2.01867 A3 2.13423 -0.00001 0.00000 -0.00015 -0.00015 2.13408 A4 2.03336 0.00004 0.00000 -0.00003 -0.00003 2.03333 A5 2.10711 0.00003 0.00000 -0.00042 -0.00042 2.10669 A6 2.14270 -0.00006 0.00000 0.00044 0.00044 2.14314 A7 2.10580 -0.00003 0.00000 0.00114 0.00114 2.10694 A8 1.98967 0.00000 0.00000 0.00091 0.00090 1.99057 A9 1.73569 0.00006 0.00000 -0.00057 -0.00057 1.73512 A10 2.09111 0.00001 0.00000 0.00147 0.00145 2.09256 A11 1.77944 0.00001 0.00000 -0.00382 -0.00382 1.77562 A12 1.60233 -0.00004 0.00000 -0.00317 -0.00316 1.59917 A13 2.10781 -0.00005 0.00000 -0.00131 -0.00132 2.10649 A14 2.09316 0.00001 0.00000 -0.00100 -0.00101 2.09215 A15 1.77272 0.00001 0.00000 0.00383 0.00383 1.77655 A16 1.99148 0.00001 0.00000 -0.00110 -0.00111 1.99037 A17 1.73409 0.00009 0.00000 0.00144 0.00144 1.73553 A18 1.59794 -0.00002 0.00000 0.00224 0.00224 1.60019 A19 2.03303 0.00004 0.00000 0.00038 0.00038 2.03341 A20 2.14390 -0.00008 0.00000 -0.00096 -0.00096 2.14293 A21 2.10623 0.00005 0.00000 0.00059 0.00059 2.10682 A22 2.12943 -0.00001 0.00000 -0.00043 -0.00043 2.12901 A23 2.13387 0.00001 0.00000 0.00028 0.00028 2.13415 A24 2.01851 0.00000 0.00000 0.00017 0.00017 2.01868 A25 1.88283 0.00000 0.00000 -0.00011 -0.00011 1.88272 A26 1.89045 -0.00002 0.00000 0.00030 0.00030 1.89074 A27 1.89096 0.00002 0.00000 -0.00019 -0.00019 1.89077 A28 2.02699 0.00001 0.00000 0.00000 -0.00001 2.02699 A29 2.02707 -0.00003 0.00000 -0.00018 -0.00018 2.02689 A30 1.73674 0.00002 0.00000 0.00022 0.00023 1.73697 A31 1.56032 -0.00006 0.00000 -0.00471 -0.00471 1.55560 A32 1.77802 0.00001 0.00000 -0.00119 -0.00118 1.77684 A33 1.77741 0.00008 0.00000 -0.00209 -0.00208 1.77533 A34 2.15934 -0.00002 0.00000 0.00053 0.00052 2.15985 A35 1.85733 0.00006 0.00000 0.00126 0.00125 1.85858 A36 2.16484 -0.00005 0.00000 0.00184 0.00183 2.16667 A37 2.18452 -0.00002 0.00000 0.00014 0.00014 2.18466 A38 1.90001 0.00004 0.00000 0.00031 0.00031 1.90032 A39 2.19036 -0.00001 0.00000 -0.00012 -0.00013 2.19023 A40 1.55266 -0.00001 0.00000 0.00376 0.00376 1.55642 A41 1.77604 0.00002 0.00000 0.00211 0.00211 1.77815 A42 1.77363 0.00006 0.00000 0.00218 0.00219 1.77582 A43 2.16037 0.00003 0.00000 -0.00060 -0.00061 2.15975 A44 1.85924 -0.00005 0.00000 -0.00107 -0.00108 1.85816 A45 2.16793 -0.00002 0.00000 -0.00197 -0.00198 2.16594 A46 1.90045 -0.00009 0.00000 -0.00027 -0.00026 1.90018 A47 2.19015 0.00004 0.00000 0.00014 0.00013 2.19029 A48 2.18468 0.00004 0.00000 0.00000 -0.00001 2.18467 D1 0.17848 0.00003 0.00000 -0.00031 -0.00031 0.17817 D2 -2.95705 0.00003 0.00000 0.00105 0.00105 -2.95600 D3 -3.01723 0.00001 0.00000 -0.00080 -0.00080 -3.01803 D4 0.13042 0.00001 0.00000 0.00056 0.00056 0.13098 D5 0.00081 -0.00001 0.00000 -0.00087 -0.00087 -0.00006 D6 3.08373 -0.00001 0.00000 -0.00029 -0.00029 3.08344 D7 -3.08309 0.00001 0.00000 -0.00035 -0.00035 -3.08343 D8 -0.00017 0.00000 0.00000 0.00023 0.00023 0.00007 D9 -0.17834 -0.00002 0.00000 0.00300 0.00301 -0.17533 D10 -2.86084 0.00001 0.00000 -0.00523 -0.00523 -2.86606 D11 1.74226 0.00002 0.00000 -0.00163 -0.00163 1.74063 D12 2.95706 -0.00002 0.00000 0.00161 0.00161 2.95867 D13 0.27456 0.00002 0.00000 -0.00662 -0.00662 0.26794 D14 -1.40553 0.00003 0.00000 -0.00302 -0.00302 -1.40855 D15 0.00369 0.00001 0.00000 -0.00443 -0.00442 -0.00073 D16 -2.66705 0.00009 0.00000 0.00420 0.00419 -2.66286 D17 1.89495 0.00010 0.00000 -0.00053 -0.00053 1.89442 D18 2.65988 -0.00004 0.00000 0.00413 0.00413 2.66401 D19 -0.01087 0.00005 0.00000 0.01275 0.01275 0.00189 D20 -1.73205 0.00006 0.00000 0.00802 0.00803 -1.72402 D21 -1.89338 -0.00007 0.00000 -0.00154 -0.00154 -1.89492 D22 1.71906 0.00002 0.00000 0.00708 0.00708 1.72614 D23 -0.00213 0.00003 0.00000 0.00236 0.00236 0.00023 D24 -2.84843 -0.00002 0.00000 -0.00234 -0.00234 -2.85077 D25 1.26338 0.00001 0.00000 -0.00156 -0.00156 1.26182 D26 -0.98697 0.00003 0.00000 -0.00217 -0.00217 -0.98914 D27 -0.67897 -0.00002 0.00000 -0.00263 -0.00263 -0.68160 D28 -2.85033 0.00001 0.00000 -0.00186 -0.00186 -2.85219 D29 1.18249 0.00003 0.00000 -0.00247 -0.00246 1.18003 D30 1.43296 -0.00001 0.00000 -0.00258 -0.00257 1.43039 D31 -0.73841 0.00002 0.00000 -0.00180 -0.00180 -0.74021 D32 -2.98876 0.00003 0.00000 -0.00241 -0.00240 -2.99117 D33 0.17318 0.00001 0.00000 0.00322 0.00322 0.17640 D34 -2.96010 0.00002 0.00000 0.00215 0.00215 -2.95796 D35 2.86950 -0.00007 0.00000 -0.00490 -0.00490 2.86460 D36 -0.26378 -0.00006 0.00000 -0.00597 -0.00597 -0.26975 D37 -1.73885 -0.00004 0.00000 -0.00196 -0.00196 -1.74081 D38 1.41105 -0.00004 0.00000 -0.00303 -0.00303 1.40802 D39 0.68365 -0.00003 0.00000 -0.00257 -0.00257 0.68108 D40 2.85396 0.00001 0.00000 -0.00203 -0.00203 2.85193 D41 -1.17795 0.00003 0.00000 -0.00236 -0.00236 -1.18032 D42 2.85239 -0.00005 0.00000 -0.00217 -0.00217 2.85023 D43 -1.26048 -0.00001 0.00000 -0.00163 -0.00163 -1.26211 D44 0.99079 0.00001 0.00000 -0.00195 -0.00195 0.98884 D45 -1.42818 -0.00003 0.00000 -0.00271 -0.00271 -1.43089 D46 0.74213 0.00001 0.00000 -0.00217 -0.00217 0.73996 D47 2.99340 0.00002 0.00000 -0.00249 -0.00250 2.99090 D48 -0.17791 -0.00002 0.00000 -0.00052 -0.00052 -0.17843 D49 3.01872 -0.00001 0.00000 -0.00107 -0.00107 3.01765 D50 2.95556 -0.00002 0.00000 0.00052 0.00052 2.95608 D51 -0.13099 -0.00001 0.00000 -0.00003 -0.00003 -0.13102 D52 -3.04020 0.00003 0.00000 -0.00205 -0.00205 -3.04225 D53 -1.22664 0.00000 0.00000 -0.00663 -0.00663 -1.23328 D54 1.45980 -0.00003 0.00000 0.00148 0.00148 1.46128 D55 -0.91946 0.00003 0.00000 -0.00196 -0.00196 -0.92143 D56 0.89409 0.00000 0.00000 -0.00655 -0.00655 0.88755 D57 -2.70264 -0.00004 0.00000 0.00156 0.00156 -2.70108 D58 1.26985 0.00001 0.00000 -0.00203 -0.00203 1.26781 D59 3.08340 -0.00001 0.00000 -0.00662 -0.00661 3.07679 D60 -0.51333 -0.00005 0.00000 0.00149 0.00149 -0.51184 D61 3.04525 -0.00002 0.00000 -0.00348 -0.00348 3.04177 D62 1.23918 -0.00005 0.00000 -0.00852 -0.00852 1.23066 D63 -1.46090 0.00004 0.00000 -0.00012 -0.00012 -1.46102 D64 0.92406 -0.00002 0.00000 -0.00306 -0.00306 0.92099 D65 -0.88202 -0.00004 0.00000 -0.00810 -0.00810 -0.89011 D66 2.70109 0.00004 0.00000 0.00030 0.00030 2.70139 D67 -1.26520 -0.00003 0.00000 -0.00312 -0.00312 -1.26832 D68 -3.07127 -0.00005 0.00000 -0.00816 -0.00816 -3.07942 D69 0.51183 0.00003 0.00000 0.00024 0.00024 0.51208 D70 1.73209 0.00005 0.00000 0.00455 0.00455 1.73664 D71 -1.27742 0.00002 0.00000 0.00196 0.00196 -1.27546 D72 -2.92968 0.00002 0.00000 -0.00083 -0.00084 -2.93052 D73 0.34399 0.00000 0.00000 -0.00342 -0.00343 0.34057 D74 -0.24505 0.00000 0.00000 0.00687 0.00688 -0.23817 D75 3.02863 -0.00003 0.00000 0.00428 0.00429 3.03292 D76 -0.00339 0.00003 0.00000 0.00399 0.00399 0.00060 D77 3.00879 0.00002 0.00000 0.00289 0.00289 3.01168 D78 -3.01235 0.00001 0.00000 0.00137 0.00137 -3.01098 D79 -0.00017 0.00000 0.00000 0.00027 0.00027 0.00010 D80 1.27360 -0.00005 0.00000 0.00189 0.00189 1.27549 D81 -1.73908 -0.00004 0.00000 0.00298 0.00298 -1.73611 D82 -0.33892 -0.00004 0.00000 -0.00255 -0.00254 -0.34146 D83 2.93158 -0.00003 0.00000 -0.00146 -0.00146 2.93012 D84 -3.03658 0.00003 0.00000 0.00546 0.00545 -3.03113 D85 0.23392 0.00004 0.00000 0.00654 0.00653 0.24045 Item Value Threshold Converged? Maximum Force 0.000416 0.000450 YES RMS Force 0.000053 0.000300 YES Maximum Displacement 0.011520 0.001800 NO RMS Displacement 0.002924 0.001200 NO Predicted change in Energy=-3.688875D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.146791 -1.854179 0.018196 2 6 0 0.981696 -2.670501 -0.905028 3 6 0 2.028887 -1.948182 -1.661574 4 6 0 2.073745 -0.538721 -1.663084 5 6 0 1.073601 0.249957 -0.908542 6 6 0 0.189071 -0.509875 0.016550 7 1 0 -0.535562 -2.412836 0.654301 8 1 0 2.427769 -2.503397 -2.505560 9 1 0 2.505591 -0.012109 -2.509270 10 1 0 -0.456703 0.092177 0.651250 11 8 0 0.788947 -3.876827 -1.023114 12 8 0 0.957291 1.465698 -1.029718 13 6 0 4.541342 -1.321321 -1.079074 14 1 0 5.584911 -1.353253 -0.724529 15 1 0 4.558128 -1.323753 -2.170303 16 6 0 3.781070 -2.451227 -0.422057 17 1 0 3.930210 -3.498183 -0.663122 18 6 0 3.381496 -1.981769 0.840986 19 1 0 2.980517 -2.597886 1.638241 20 6 0 3.853003 -0.143782 -0.426179 21 1 0 4.068841 0.891016 -0.669402 22 6 0 3.425461 -0.583446 0.838912 23 1 0 3.064151 0.059047 1.634295 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.488553 0.000000 3 C 2.524431 1.480107 0.000000 4 C 2.875810 2.512311 1.410175 0.000000 5 C 2.478953 2.921906 2.512259 1.480418 0.000000 6 C 1.344970 2.479085 2.875717 2.524678 1.488467 7 H 1.087351 2.190883 3.486485 3.961195 3.481717 8 H 3.463190 2.163505 1.086132 2.166806 3.459075 9 H 3.917301 3.458743 2.166613 1.086206 2.163702 10 H 2.133838 3.481865 3.961108 3.486738 2.190816 11 O 2.363852 1.227322 2.380075 3.633624 4.138176 12 O 3.574440 4.138150 3.633474 2.380193 1.227289 13 C 4.560703 3.810729 2.654183 2.653782 3.810935 14 H 5.511417 4.791380 3.725225 3.724599 4.791249 15 H 4.952855 4.025608 2.654388 2.654374 4.026231 16 C 3.709215 2.849183 2.204451 2.848295 3.855315 17 H 4.181053 3.072021 2.648479 3.633841 4.719005 18 C 3.340146 3.046630 2.844906 3.172218 3.656205 19 H 3.347783 3.235549 3.495211 3.995140 4.269970 20 C 4.105963 3.854609 2.847710 2.202650 2.848294 21 H 4.836462 4.719152 3.634125 2.648011 3.072395 22 C 3.610819 3.656379 3.172594 2.844137 3.046211 23 H 3.844893 4.270271 3.995434 3.494415 3.234928 6 7 8 9 10 6 C 0.000000 7 H 2.133795 0.000000 8 H 3.917517 4.332926 0.000000 9 H 3.463207 5.002028 2.492506 0.000000 10 H 1.087352 2.506256 5.002263 4.333007 0.000000 11 O 3.574509 2.590620 2.601863 4.482363 4.484209 12 O 2.363838 4.484145 4.482648 2.601965 2.590674 13 C 4.560822 5.474572 2.810579 2.811365 5.474710 14 H 5.511405 6.362710 3.802953 3.803443 6.362637 15 H 4.953118 5.925383 2.458126 2.459312 5.925753 16 C 4.106541 4.448970 2.484981 3.454360 5.057630 17 H 4.836121 4.780868 2.577112 4.194105 5.819216 18 C 3.610782 3.945125 3.518673 3.983841 4.366810 19 H 3.844716 3.655843 4.181572 4.910565 4.474939 20 C 3.708696 5.057227 3.452955 2.484376 4.448606 21 H 4.181584 5.819636 4.193643 2.577693 4.781508 22 C 3.340046 4.366972 3.983351 3.518936 3.944982 23 H 3.347665 4.475324 4.910143 4.181649 3.655666 11 12 13 14 15 11 O 0.000000 12 O 5.345181 0.000000 13 C 4.540287 4.540411 0.000000 14 H 5.427601 5.427200 1.102615 0.000000 15 H 4.694779 4.695529 1.091361 1.773533 0.000000 16 C 3.368443 4.866753 1.512075 2.133279 2.220671 17 H 3.184415 5.797651 2.298962 2.709711 2.719195 18 C 3.713142 4.611002 2.338390 2.775052 3.299290 19 H 3.677156 5.265375 3.383725 3.730237 4.314775 20 C 4.866250 3.367467 1.512177 2.133387 2.220698 21 H 5.797857 3.184625 2.299027 2.708921 2.719799 22 C 4.611366 3.712497 2.338444 2.774919 3.299449 23 H 5.265879 3.676207 3.383767 3.729997 4.314982 16 17 18 19 20 16 C 0.000000 17 H 1.084653 0.000000 18 C 1.405464 2.205208 0.000000 19 H 2.215225 2.647400 1.084435 0.000000 20 C 2.308569 3.363645 2.281715 3.323506 0.000000 21 H 3.363715 4.391393 3.317622 4.322280 1.084690 22 C 2.281470 3.317615 1.399016 2.212436 1.405899 23 H 3.323256 4.322276 2.212459 2.658252 2.215622 21 22 23 21 H 0.000000 22 C 2.205218 0.000000 23 H 2.647376 1.084424 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.909267 -0.672507 0.721153 2 6 0 -1.110966 -1.460991 -0.257007 3 6 0 -0.138309 -0.705122 -1.077566 4 6 0 -0.137829 0.705053 -1.077352 5 6 0 -1.111037 1.460915 -0.256880 6 6 0 -1.909326 0.672463 0.721185 7 1 0 -2.530993 -1.253159 1.398378 8 1 0 0.222075 -1.246454 -1.947489 9 1 0 0.221393 1.246052 -1.948054 10 1 0 -2.531029 1.253097 1.398448 11 8 0 -1.273089 -2.672639 -0.366295 12 8 0 -1.273013 2.672542 -0.366251 13 6 0 2.385815 -0.000203 -0.657357 14 1 0 3.450709 0.000292 -0.371420 15 1 0 2.331709 -0.000747 -1.747375 16 6 0 1.705633 -1.154300 0.043916 17 1 0 1.871520 -2.195741 -0.209764 18 6 0 1.374482 -0.699227 1.331773 19 1 0 1.045671 -1.328653 2.151349 20 6 0 1.704809 1.154269 0.042718 21 1 0 1.871853 2.195651 -0.210601 22 6 0 1.374383 0.699789 1.331445 23 1 0 1.045580 1.329599 2.150717 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448246 0.9898703 0.6663282 Standard basis: 6-31G(d) (6D, 7F) There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 776.4146374505 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 215 RedAO= T EigKep= 6.19D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 Initial guess from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jr814\Desktop\3rd year computational lab\Exercise2\endo_opt+freq_as_TS_unfreeze_endo_JiajunREN.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999999 0.000563 -0.000198 0.001468 Ang= 0.18 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -575.529147156 A.U. after 10 cycles NFock= 10 Conv=0.41D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000000044 0.000011381 -0.000006571 2 6 -0.000145462 -0.000015015 0.000003024 3 6 0.000129451 -0.000047464 0.000070012 4 6 0.000028792 0.000071413 0.000042734 5 6 -0.000059645 0.000034364 -0.000046547 6 6 0.000001826 -0.000020283 0.000005810 7 1 0.000004570 -0.000003676 0.000000808 8 1 -0.000031692 -0.000001357 -0.000053600 9 1 -0.000010302 0.000005627 0.000008070 10 1 0.000001221 -0.000000223 -0.000001879 11 8 0.000032068 0.000020756 -0.000001533 12 8 0.000018667 -0.000033450 -0.000000796 13 6 0.000069574 0.000012362 -0.000002509 14 1 -0.000009104 0.000007086 -0.000000140 15 1 -0.000000578 -0.000007647 -0.000005701 16 6 -0.000063790 -0.000077068 -0.000256075 17 1 0.000050616 -0.000015966 0.000044099 18 6 -0.000013741 -0.000041251 0.000204301 19 1 0.000014629 -0.000001863 0.000002861 20 6 -0.000063089 -0.000008221 0.000030866 21 1 0.000011854 -0.000003046 -0.000003501 22 6 0.000021625 0.000107666 -0.000036477 23 1 0.000012467 0.000005875 0.000002744 ------------------------------------------------------------------- Cartesian Forces: Max 0.000256075 RMS 0.000055926 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000168073 RMS 0.000023369 Search for a saddle point. Step number 5 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 5 ITU= 0 0 0 0 0 Eigenvalues --- -0.02423 0.00338 0.00467 0.00552 0.00794 Eigenvalues --- 0.01176 0.01244 0.01408 0.01650 0.01912 Eigenvalues --- 0.02056 0.02192 0.02372 0.02864 0.03068 Eigenvalues --- 0.03275 0.03543 0.03759 0.03902 0.04198 Eigenvalues --- 0.04256 0.04674 0.05135 0.05212 0.05395 Eigenvalues --- 0.06244 0.07597 0.07965 0.09611 0.09910 Eigenvalues --- 0.10217 0.10549 0.10889 0.11964 0.13655 Eigenvalues --- 0.15953 0.16102 0.17773 0.20560 0.21100 Eigenvalues --- 0.22693 0.23861 0.24529 0.27431 0.28131 Eigenvalues --- 0.29779 0.30376 0.31343 0.31796 0.33176 Eigenvalues --- 0.34014 0.34133 0.34450 0.35038 0.35048 Eigenvalues --- 0.38219 0.38426 0.38452 0.38563 0.44266 Eigenvalues --- 0.58981 0.87544 0.87768 Eigenvectors required to have negative eigenvalues: R8 R11 D18 D69 D60 1 0.58028 0.57813 0.14272 -0.14111 0.14085 D16 R6 D13 D36 D10 1 -0.13672 -0.11815 -0.11160 0.10903 -0.10035 RFO step: Lambda0=1.360078194D-07 Lambda=-6.73242170D-07. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00066317 RMS(Int)= 0.00000018 Iteration 2 RMS(Cart)= 0.00000018 RMS(Int)= 0.00000010 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.81296 -0.00001 0.00000 -0.00011 -0.00011 2.81285 R2 2.54162 -0.00001 0.00000 -0.00002 -0.00002 2.54161 R3 2.05480 0.00000 0.00000 0.00000 0.00000 2.05479 R4 2.79700 0.00006 0.00000 0.00038 0.00038 2.79738 R5 2.31930 -0.00003 0.00000 -0.00006 -0.00006 2.31924 R6 2.66484 0.00006 0.00000 -0.00019 -0.00019 2.66466 R7 2.05249 0.00003 0.00000 0.00010 0.00010 2.05260 R8 4.16581 0.00002 0.00000 0.00024 0.00024 4.16605 R9 2.79758 0.00000 0.00000 -0.00019 -0.00019 2.79740 R10 2.05263 -0.00001 0.00000 -0.00004 -0.00004 2.05259 R11 4.16240 0.00000 0.00000 0.00347 0.00347 4.16587 R12 2.81279 0.00001 0.00000 0.00006 0.00006 2.81285 R13 2.31924 -0.00003 0.00000 -0.00001 -0.00001 2.31923 R14 2.05480 0.00000 0.00000 -0.00001 -0.00001 2.05479 R15 2.08364 -0.00001 0.00000 -0.00002 -0.00002 2.08362 R16 2.06237 0.00000 0.00000 0.00001 0.00001 2.06238 R17 2.85741 0.00003 0.00000 0.00015 0.00015 2.85756 R18 2.85760 0.00004 0.00000 -0.00001 -0.00001 2.85759 R19 2.04970 0.00001 0.00000 0.00004 0.00004 2.04974 R20 2.65594 0.00017 0.00000 0.00039 0.00039 2.65633 R21 2.04928 0.00000 0.00000 -0.00001 -0.00001 2.04928 R22 2.64376 0.00008 0.00000 0.00040 0.00040 2.64416 R23 2.04977 0.00000 0.00000 -0.00002 -0.00002 2.04975 R24 2.65676 -0.00002 0.00000 -0.00049 -0.00049 2.65627 R25 2.04927 0.00000 0.00000 0.00001 0.00001 2.04928 A1 2.12909 0.00000 0.00000 -0.00008 -0.00008 2.12900 A2 2.01867 -0.00001 0.00000 0.00000 0.00000 2.01867 A3 2.13408 0.00000 0.00000 0.00008 0.00008 2.13416 A4 2.03333 0.00001 0.00000 0.00007 0.00007 2.03340 A5 2.10669 0.00002 0.00000 0.00016 0.00016 2.10685 A6 2.14314 -0.00003 0.00000 -0.00023 -0.00023 2.14291 A7 2.10694 -0.00003 0.00000 -0.00024 -0.00024 2.10670 A8 1.99057 0.00000 0.00000 -0.00016 -0.00016 1.99041 A9 1.73512 0.00005 0.00000 0.00060 0.00060 1.73572 A10 2.09256 0.00000 0.00000 -0.00011 -0.00011 2.09245 A11 1.77562 0.00000 0.00000 0.00041 0.00041 1.77603 A12 1.59917 -0.00001 0.00000 0.00011 0.00011 1.59928 A13 2.10649 -0.00001 0.00000 0.00017 0.00017 2.10665 A14 2.09215 0.00000 0.00000 0.00027 0.00027 2.09241 A15 1.77655 0.00000 0.00000 -0.00045 -0.00045 1.77610 A16 1.99037 -0.00001 0.00000 -0.00002 -0.00002 1.99034 A17 1.73553 0.00003 0.00000 0.00030 0.00030 1.73583 A18 1.60019 -0.00002 0.00000 -0.00076 -0.00076 1.59943 A19 2.03341 0.00001 0.00000 0.00000 0.00000 2.03341 A20 2.14293 -0.00002 0.00000 -0.00003 -0.00003 2.14290 A21 2.10682 0.00001 0.00000 0.00003 0.00003 2.10685 A22 2.12901 0.00001 0.00000 -0.00001 -0.00001 2.12900 A23 2.13415 0.00000 0.00000 0.00001 0.00001 2.13416 A24 2.01868 -0.00001 0.00000 0.00000 0.00000 2.01868 A25 1.88272 0.00000 0.00000 -0.00002 -0.00002 1.88270 A26 1.89074 0.00001 0.00000 -0.00007 -0.00007 1.89068 A27 1.89077 -0.00001 0.00000 -0.00013 -0.00013 1.89064 A28 2.02699 -0.00001 0.00000 -0.00003 -0.00003 2.02695 A29 2.02689 0.00000 0.00000 0.00009 0.00009 2.02697 A30 1.73697 0.00001 0.00000 0.00015 0.00015 1.73713 A31 1.55560 -0.00001 0.00000 0.00014 0.00014 1.55574 A32 1.77684 0.00002 0.00000 0.00088 0.00088 1.77772 A33 1.77533 0.00003 0.00000 0.00022 0.00022 1.77554 A34 2.15985 0.00001 0.00000 -0.00005 -0.00005 2.15981 A35 1.85858 -0.00002 0.00000 -0.00014 -0.00014 1.85844 A36 2.16667 -0.00001 0.00000 -0.00042 -0.00042 2.16626 A37 2.18466 0.00002 0.00000 0.00004 0.00004 2.18470 A38 1.90032 -0.00004 0.00000 -0.00008 -0.00008 1.90024 A39 2.19023 0.00002 0.00000 0.00007 0.00007 2.19030 A40 1.55642 -0.00001 0.00000 -0.00067 -0.00067 1.55574 A41 1.77815 -0.00001 0.00000 -0.00016 -0.00016 1.77799 A42 1.77582 0.00004 0.00000 -0.00020 -0.00020 1.77561 A43 2.15975 -0.00001 0.00000 -0.00005 -0.00005 2.15970 A44 1.85816 0.00002 0.00000 0.00027 0.00027 1.85842 A45 2.16594 -0.00002 0.00000 0.00025 0.00025 2.16619 A46 1.90018 0.00002 0.00000 0.00009 0.00009 1.90027 A47 2.19029 0.00000 0.00000 -0.00001 -0.00001 2.19027 A48 2.18467 -0.00001 0.00000 0.00002 0.00002 2.18469 D1 0.17817 0.00001 0.00000 0.00037 0.00037 0.17854 D2 -2.95600 0.00001 0.00000 0.00015 0.00015 -2.95586 D3 -3.01803 0.00001 0.00000 0.00041 0.00041 -3.01762 D4 0.13098 0.00000 0.00000 0.00019 0.00019 0.13117 D5 -0.00006 0.00000 0.00000 0.00007 0.00007 0.00001 D6 3.08344 -0.00001 0.00000 -0.00003 -0.00003 3.08341 D7 -3.08343 0.00001 0.00000 0.00003 0.00003 -3.08341 D8 0.00007 0.00000 0.00000 -0.00007 -0.00007 -0.00001 D9 -0.17533 -0.00001 0.00000 -0.00066 -0.00066 -0.17600 D10 -2.86606 0.00003 0.00000 0.00052 0.00052 -2.86554 D11 1.74063 0.00001 0.00000 0.00015 0.00015 1.74079 D12 2.95867 -0.00001 0.00000 -0.00044 -0.00044 2.95823 D13 0.26794 0.00003 0.00000 0.00075 0.00075 0.26869 D14 -1.40855 0.00002 0.00000 0.00038 0.00038 -1.40817 D15 -0.00073 0.00000 0.00000 0.00052 0.00052 -0.00022 D16 -2.66286 0.00003 0.00000 -0.00045 -0.00045 -2.66331 D17 1.89442 0.00004 0.00000 0.00064 0.00064 1.89506 D18 2.66401 -0.00004 0.00000 -0.00076 -0.00076 2.66326 D19 0.00189 -0.00001 0.00000 -0.00173 -0.00173 0.00016 D20 -1.72402 0.00000 0.00000 -0.00063 -0.00063 -1.72465 D21 -1.89492 -0.00005 0.00000 -0.00040 -0.00040 -1.89533 D22 1.72614 -0.00002 0.00000 -0.00137 -0.00137 1.72476 D23 0.00023 -0.00001 0.00000 -0.00028 -0.00028 -0.00005 D24 -2.85077 0.00002 0.00000 0.00020 0.00020 -2.85057 D25 1.26182 0.00000 0.00000 0.00011 0.00011 1.26193 D26 -0.98914 0.00000 0.00000 0.00009 0.00009 -0.98905 D27 -0.68160 0.00001 0.00000 0.00030 0.00030 -0.68130 D28 -2.85219 0.00000 0.00000 0.00021 0.00021 -2.85198 D29 1.18003 -0.00001 0.00000 0.00019 0.00019 1.18022 D30 1.43039 0.00001 0.00000 0.00028 0.00028 1.43066 D31 -0.74021 0.00000 0.00000 0.00018 0.00018 -0.74002 D32 -2.99117 -0.00001 0.00000 0.00017 0.00017 -2.99100 D33 0.17640 0.00001 0.00000 -0.00008 -0.00008 0.17632 D34 -2.95796 0.00001 0.00000 0.00002 0.00002 -2.95793 D35 2.86460 -0.00001 0.00000 0.00091 0.00091 2.86551 D36 -0.26975 -0.00001 0.00000 0.00101 0.00101 -0.26874 D37 -1.74081 -0.00002 0.00000 0.00020 0.00020 -1.74061 D38 1.40802 -0.00002 0.00000 0.00030 0.00030 1.40832 D39 0.68108 0.00000 0.00000 0.00032 0.00032 0.68139 D40 2.85193 -0.00001 0.00000 0.00008 0.00008 2.85201 D41 -1.18032 -0.00002 0.00000 0.00019 0.00019 -1.18012 D42 2.85023 0.00001 0.00000 0.00045 0.00045 2.85068 D43 -1.26211 0.00000 0.00000 0.00021 0.00021 -1.26189 D44 0.98884 -0.00001 0.00000 0.00033 0.00033 0.98916 D45 -1.43089 0.00000 0.00000 0.00031 0.00031 -1.43058 D46 0.73996 -0.00001 0.00000 0.00007 0.00007 0.74003 D47 2.99090 -0.00002 0.00000 0.00019 0.00019 2.99109 D48 -0.17843 -0.00001 0.00000 -0.00022 -0.00022 -0.17865 D49 3.01765 -0.00001 0.00000 -0.00013 -0.00013 3.01752 D50 2.95608 -0.00001 0.00000 -0.00032 -0.00032 2.95576 D51 -0.13102 0.00000 0.00000 -0.00023 -0.00023 -0.13125 D52 -3.04225 0.00000 0.00000 0.00047 0.00047 -3.04178 D53 -1.23328 0.00002 0.00000 0.00162 0.00162 -1.23166 D54 1.46128 -0.00002 0.00000 0.00021 0.00021 1.46149 D55 -0.92143 0.00000 0.00000 0.00037 0.00037 -0.92106 D56 0.88755 0.00002 0.00000 0.00152 0.00152 0.88906 D57 -2.70108 -0.00002 0.00000 0.00011 0.00011 -2.70098 D58 1.26781 0.00001 0.00000 0.00057 0.00057 1.26838 D59 3.07679 0.00002 0.00000 0.00172 0.00172 3.07850 D60 -0.51184 -0.00002 0.00000 0.00031 0.00031 -0.51154 D61 3.04177 -0.00002 0.00000 -0.00006 -0.00006 3.04171 D62 1.23066 0.00000 0.00000 0.00060 0.00060 1.23126 D63 -1.46102 0.00002 0.00000 -0.00046 -0.00046 -1.46149 D64 0.92099 -0.00002 0.00000 0.00001 0.00001 0.92100 D65 -0.89011 0.00000 0.00000 0.00067 0.00067 -0.88944 D66 2.70139 0.00002 0.00000 -0.00040 -0.00040 2.70099 D67 -1.26832 -0.00001 0.00000 -0.00011 -0.00011 -1.26843 D68 -3.07942 0.00001 0.00000 0.00055 0.00055 -3.07887 D69 0.51208 0.00003 0.00000 -0.00051 -0.00051 0.51156 D70 1.73664 0.00002 0.00000 0.00020 0.00020 1.73684 D71 -1.27546 0.00002 0.00000 -0.00006 -0.00006 -1.27552 D72 -2.93052 0.00001 0.00000 0.00038 0.00038 -2.93014 D73 0.34057 0.00002 0.00000 0.00012 0.00012 0.34069 D74 -0.23817 -0.00002 0.00000 -0.00092 -0.00092 -0.23909 D75 3.03292 -0.00002 0.00000 -0.00118 -0.00118 3.03174 D76 0.00060 -0.00001 0.00000 -0.00055 -0.00055 0.00005 D77 3.01168 0.00000 0.00000 0.00019 0.00019 3.01187 D78 -3.01098 -0.00001 0.00000 -0.00081 -0.00081 -3.01179 D79 0.00010 0.00000 0.00000 -0.00006 -0.00006 0.00003 D80 1.27549 0.00000 0.00000 -0.00002 -0.00002 1.27547 D81 -1.73611 -0.00001 0.00000 -0.00076 -0.00076 -1.73687 D82 -0.34146 -0.00001 0.00000 0.00070 0.00070 -0.34076 D83 2.93012 -0.00001 0.00000 -0.00004 -0.00004 2.93008 D84 -3.03113 0.00001 0.00000 -0.00027 -0.00027 -3.03141 D85 0.24045 0.00000 0.00000 -0.00101 -0.00101 0.23944 Item Value Threshold Converged? Maximum Force 0.000168 0.000450 YES RMS Force 0.000023 0.000300 YES Maximum Displacement 0.002544 0.001800 NO RMS Displacement 0.000663 0.001200 YES Predicted change in Energy=-2.686157D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.145988 -1.854063 0.017997 2 6 0 0.980996 -2.670431 -0.905002 3 6 0 2.028709 -1.948229 -1.661333 4 6 0 2.073134 -0.538854 -1.663241 5 6 0 1.072848 0.249889 -0.909149 6 6 0 0.188270 -0.509767 0.016094 7 1 0 -0.536364 -2.412670 0.654142 8 1 0 2.427256 -2.503467 -2.505532 9 1 0 2.505660 -0.012135 -2.508988 10 1 0 -0.457575 0.092414 0.650591 11 8 0 0.788381 -3.876734 -1.023190 12 8 0 0.956356 1.465555 -1.030848 13 6 0 4.541514 -1.321145 -1.079131 14 1 0 5.585225 -1.353469 -0.725078 15 1 0 4.557825 -1.323145 -2.170375 16 6 0 3.781345 -2.451301 -0.422244 17 1 0 3.931265 -3.498267 -0.662890 18 6 0 3.382259 -1.982041 0.841257 19 1 0 2.981819 -2.598321 1.638649 20 6 0 3.853921 -0.143667 -0.425349 21 1 0 4.069633 0.891132 -0.668644 22 6 0 3.426291 -0.583508 0.839361 23 1 0 3.065498 0.058874 1.635077 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.488497 0.000000 3 C 2.524609 1.480309 0.000000 4 C 2.875800 2.512233 1.410076 0.000000 5 C 2.478967 2.921767 2.512205 1.480318 0.000000 6 C 1.344962 2.478972 2.875786 2.524623 1.488499 7 H 1.087349 2.190834 3.486650 3.961177 3.481761 8 H 3.463251 2.163618 1.086187 2.166694 3.458877 9 H 3.917448 3.458889 2.166671 1.086186 2.163583 10 H 2.133832 3.481763 3.961165 3.486662 2.190841 11 O 2.363882 1.227287 2.380078 3.633414 4.137987 12 O 3.574441 4.137974 3.633369 2.380078 1.227284 13 C 4.561616 3.811586 2.654503 2.654442 3.811651 14 H 5.512536 4.792253 3.725470 3.725390 4.792305 15 H 4.953297 4.026172 2.654484 2.654428 4.026188 16 C 3.710300 2.850093 2.204577 2.848774 3.856094 17 H 4.182743 3.073763 2.649382 3.634760 4.720155 18 C 3.341794 3.047847 2.845382 3.173185 3.657705 19 H 3.349981 3.237075 3.495843 3.996197 4.271738 20 C 4.107405 3.855944 2.848772 2.204484 2.850143 21 H 4.837619 4.720199 3.634938 2.649545 3.074045 22 C 3.612386 3.657530 3.173196 2.845355 3.048037 23 H 3.846792 4.271564 3.996212 3.495850 3.237317 6 7 8 9 10 6 C 0.000000 7 H 2.133832 0.000000 8 H 3.917460 4.332993 0.000000 9 H 3.463231 5.002186 2.492568 0.000000 10 H 1.087348 2.506325 5.002196 4.332970 0.000000 11 O 3.574452 2.590729 2.601751 4.482384 4.484204 12 O 2.363882 4.484198 4.482341 2.601693 2.590744 13 C 4.561643 5.475446 2.811155 2.811174 5.475490 14 H 5.512558 6.363804 3.803325 3.803319 6.363842 15 H 4.953306 5.925852 2.458621 2.458616 5.925867 16 C 4.107539 4.450023 2.485229 3.454187 5.058647 17 H 4.837578 4.782552 2.578177 4.194466 5.820666 18 C 3.612485 3.946652 3.519220 3.984106 4.368529 19 H 3.846902 3.658050 4.182197 4.911006 4.477248 20 C 3.710242 5.058485 3.454155 2.485289 4.449987 21 H 4.182865 5.820659 4.194623 2.578520 4.782671 22 C 3.341853 4.368383 3.984046 3.519300 3.946761 23 H 3.350059 4.477071 4.910966 4.182312 3.658194 11 12 13 14 15 11 O 0.000000 12 O 5.344934 0.000000 13 C 4.540944 4.541078 0.000000 14 H 5.428209 5.428335 1.102602 0.000000 15 H 4.695270 4.695311 1.091367 1.773514 0.000000 16 C 3.369099 4.867517 1.512155 2.133290 2.220726 17 H 3.186028 5.798707 2.299026 2.709171 2.719604 18 C 3.714058 4.612559 2.338493 2.775170 3.299398 19 H 3.678437 5.267239 3.383809 3.730226 4.314920 20 C 4.867313 3.369289 1.512174 2.133278 2.220757 21 H 5.798695 3.186478 2.298987 2.708956 2.719660 22 C 4.612267 3.714420 2.338471 2.775123 3.299385 23 H 5.266940 3.678911 3.383786 3.730157 4.314914 16 17 18 19 20 16 C 0.000000 17 H 1.084677 0.000000 18 C 1.405670 2.205178 0.000000 19 H 2.215431 2.647345 1.084430 0.000000 20 C 2.308777 3.363889 2.281748 3.323549 0.000000 21 H 3.363880 4.391584 3.317742 4.322410 1.084682 22 C 2.281746 3.317767 1.399227 2.212666 1.405638 23 H 3.323550 4.322437 2.212650 2.658515 2.215398 21 22 23 21 H 0.000000 22 C 2.205115 0.000000 23 H 2.647277 1.084431 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.909451 -0.673086 0.721676 2 6 0 -1.111177 -1.461199 -0.256720 3 6 0 -0.138510 -0.704997 -1.077324 4 6 0 -0.138888 0.705079 -1.077209 5 6 0 -1.112173 1.460568 -0.256663 6 6 0 -1.909909 0.671875 0.721708 7 1 0 -2.530752 -1.253995 1.399065 8 1 0 0.221352 -1.246093 -1.947677 9 1 0 0.220552 1.246475 -1.947551 10 1 0 -2.531610 1.252330 1.399121 11 8 0 -1.272869 -2.672845 -0.366288 12 8 0 -1.274750 2.672089 -0.366252 13 6 0 2.385896 0.000798 -0.658257 14 1 0 3.451019 0.001156 -0.373225 15 1 0 2.330887 0.000864 -1.748237 16 6 0 1.706410 -1.153873 0.042917 17 1 0 1.873305 -2.195204 -0.210658 18 6 0 1.376141 -0.699322 1.331410 19 1 0 1.048373 -1.329146 2.151092 20 6 0 1.705629 1.154904 0.043133 21 1 0 1.872148 2.196379 -0.210115 22 6 0 1.375715 0.699905 1.331524 23 1 0 1.047583 1.329369 2.151338 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448200 0.9892099 0.6660599 Standard basis: 6-31G(d) (6D, 7F) There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 776.3171105747 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 215 RedAO= T EigKep= 6.20D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 Initial guess from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jr814\Desktop\3rd year computational lab\Exercise2\endo_opt+freq_as_TS_unfreeze_endo_JiajunREN.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000059 -0.000170 -0.000151 Ang= -0.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -575.529147491 A.U. after 8 cycles NFock= 8 Conv=0.86D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000002674 0.000008661 0.000001640 2 6 -0.000017920 0.000000120 -0.000012066 3 6 0.000020601 -0.000015319 0.000014284 4 6 0.000003277 0.000015814 0.000004130 5 6 -0.000013372 0.000001195 -0.000004765 6 6 -0.000003035 -0.000008667 -0.000000458 7 1 0.000000318 0.000000375 0.000001922 8 1 -0.000009707 0.000002132 -0.000002741 9 1 -0.000002964 -0.000000481 -0.000000929 10 1 0.000000044 -0.000000136 0.000001546 11 8 0.000003687 0.000005442 0.000002937 12 8 0.000003309 -0.000004469 0.000003508 13 6 0.000002826 -0.000000928 0.000007315 14 1 -0.000001427 -0.000001247 0.000002038 15 1 0.000000868 0.000001027 -0.000000941 16 6 -0.000025136 0.000008482 0.000006953 17 1 0.000010889 -0.000000160 0.000003785 18 6 0.000021904 -0.000016182 -0.000017255 19 1 0.000001389 -0.000000142 -0.000001534 20 6 0.000000460 -0.000001532 -0.000018697 21 1 -0.000001437 -0.000000115 -0.000003107 22 6 0.000006766 0.000005557 0.000013770 23 1 0.000001333 0.000000573 -0.000001335 ------------------------------------------------------------------- Cartesian Forces: Max 0.000025136 RMS 0.000008369 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000020633 RMS 0.000004164 Search for a saddle point. Step number 6 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 5 6 ITU= 0 0 0 0 0 0 Eigenvalues --- -0.02364 0.00336 0.00482 0.00604 0.00795 Eigenvalues --- 0.01178 0.01245 0.01422 0.01647 0.01918 Eigenvalues --- 0.02055 0.02192 0.02364 0.02848 0.03050 Eigenvalues --- 0.03221 0.03544 0.03749 0.03875 0.04196 Eigenvalues --- 0.04244 0.04635 0.05107 0.05212 0.05396 Eigenvalues --- 0.06246 0.07597 0.07945 0.09595 0.09911 Eigenvalues --- 0.10214 0.10506 0.10890 0.11964 0.13623 Eigenvalues --- 0.15918 0.16102 0.17771 0.20559 0.21099 Eigenvalues --- 0.22687 0.23866 0.24529 0.27469 0.28127 Eigenvalues --- 0.29773 0.30362 0.31343 0.31797 0.33178 Eigenvalues --- 0.34018 0.34135 0.34451 0.35038 0.35048 Eigenvalues --- 0.38219 0.38425 0.38452 0.38563 0.44244 Eigenvalues --- 0.58983 0.87542 0.87767 Eigenvectors required to have negative eigenvalues: R8 R11 D18 D69 D60 1 0.59527 0.57076 0.14251 -0.13795 0.13790 D16 R6 D13 D36 D10 1 -0.12989 -0.11711 -0.11461 0.10529 -0.10305 RFO step: Lambda0=4.498289952D-10 Lambda=-3.67113228D-08. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00019426 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.81285 0.00000 0.00000 0.00000 0.00000 2.81285 R2 2.54161 -0.00001 0.00000 -0.00002 -0.00002 2.54159 R3 2.05479 0.00000 0.00000 0.00000 0.00000 2.05479 R4 2.79738 0.00000 0.00000 0.00005 0.00005 2.79743 R5 2.31924 -0.00001 0.00000 -0.00001 -0.00001 2.31922 R6 2.66466 0.00001 0.00000 -0.00001 -0.00001 2.66465 R7 2.05260 0.00000 0.00000 0.00000 0.00000 2.05259 R8 4.16605 0.00001 0.00000 -0.00016 -0.00016 4.16588 R9 2.79740 0.00001 0.00000 -0.00002 -0.00002 2.79738 R10 2.05259 0.00000 0.00000 -0.00001 -0.00001 2.05259 R11 4.16587 0.00000 0.00000 0.00064 0.00064 4.16651 R12 2.81285 0.00000 0.00000 0.00001 0.00001 2.81286 R13 2.31923 -0.00001 0.00000 0.00000 0.00000 2.31923 R14 2.05479 0.00000 0.00000 0.00000 0.00000 2.05479 R15 2.08362 0.00000 0.00000 0.00000 0.00000 2.08362 R16 2.06238 0.00000 0.00000 0.00000 0.00000 2.06239 R17 2.85756 0.00000 0.00000 0.00001 0.00001 2.85757 R18 2.85759 0.00000 0.00000 -0.00005 -0.00005 2.85754 R19 2.04974 0.00000 0.00000 0.00001 0.00001 2.04975 R20 2.65633 -0.00002 0.00000 -0.00010 -0.00010 2.65623 R21 2.04928 0.00000 0.00000 0.00000 0.00000 2.04928 R22 2.64416 0.00001 0.00000 0.00005 0.00005 2.64421 R23 2.04975 0.00000 0.00000 -0.00001 -0.00001 2.04975 R24 2.65627 0.00001 0.00000 -0.00002 -0.00002 2.65626 R25 2.04928 0.00000 0.00000 0.00000 0.00000 2.04927 A1 2.12900 0.00000 0.00000 -0.00002 -0.00002 2.12899 A2 2.01867 0.00000 0.00000 0.00001 0.00001 2.01868 A3 2.13416 0.00000 0.00000 0.00001 0.00001 2.13417 A4 2.03340 0.00000 0.00000 0.00004 0.00004 2.03344 A5 2.10685 0.00000 0.00000 0.00000 0.00000 2.10685 A6 2.14291 0.00000 0.00000 -0.00004 -0.00004 2.14287 A7 2.10670 -0.00001 0.00000 -0.00005 -0.00005 2.10665 A8 1.99041 0.00000 0.00000 -0.00009 -0.00009 1.99032 A9 1.73572 0.00001 0.00000 0.00024 0.00024 1.73595 A10 2.09245 0.00000 0.00000 -0.00004 -0.00004 2.09241 A11 1.77603 0.00000 0.00000 0.00010 0.00010 1.77613 A12 1.59928 0.00000 0.00000 0.00005 0.00005 1.59934 A13 2.10665 0.00000 0.00000 0.00003 0.00003 2.10668 A14 2.09241 0.00000 0.00000 0.00003 0.00003 2.09244 A15 1.77610 0.00000 0.00000 -0.00011 -0.00011 1.77599 A16 1.99034 0.00000 0.00000 0.00002 0.00002 1.99037 A17 1.73583 0.00001 0.00000 0.00009 0.00009 1.73592 A18 1.59943 0.00000 0.00000 -0.00016 -0.00016 1.59927 A19 2.03341 0.00000 0.00000 0.00003 0.00003 2.03344 A20 2.14290 0.00000 0.00000 -0.00001 -0.00001 2.14289 A21 2.10685 0.00000 0.00000 -0.00002 -0.00002 2.10683 A22 2.12900 0.00000 0.00000 0.00000 0.00000 2.12900 A23 2.13416 0.00000 0.00000 0.00000 0.00000 2.13417 A24 2.01868 0.00000 0.00000 0.00000 0.00000 2.01868 A25 1.88270 0.00000 0.00000 0.00001 0.00001 1.88271 A26 1.89068 0.00000 0.00000 -0.00008 -0.00008 1.89060 A27 1.89064 0.00000 0.00000 -0.00002 -0.00002 1.89062 A28 2.02695 0.00000 0.00000 0.00004 0.00004 2.02699 A29 2.02697 0.00000 0.00000 0.00001 0.00001 2.02699 A30 1.73713 0.00000 0.00000 0.00003 0.00003 1.73716 A31 1.55574 0.00000 0.00000 0.00007 0.00007 1.55581 A32 1.77772 0.00000 0.00000 0.00021 0.00021 1.77792 A33 1.77554 0.00001 0.00000 0.00009 0.00009 1.77563 A34 2.15981 0.00000 0.00000 -0.00011 -0.00011 2.15970 A35 1.85844 0.00000 0.00000 -0.00003 -0.00003 1.85841 A36 2.16626 0.00000 0.00000 -0.00005 -0.00005 2.16620 A37 2.18470 0.00000 0.00000 -0.00001 -0.00001 2.18469 A38 1.90024 0.00000 0.00000 0.00002 0.00002 1.90026 A39 2.19030 0.00000 0.00000 -0.00002 -0.00002 2.19028 A40 1.55574 0.00000 0.00000 -0.00009 -0.00009 1.55565 A41 1.77799 0.00000 0.00000 -0.00010 -0.00010 1.77789 A42 1.77561 0.00001 0.00000 -0.00007 -0.00007 1.77554 A43 2.15970 0.00000 0.00000 0.00005 0.00005 2.15975 A44 1.85842 0.00000 0.00000 0.00000 0.00000 1.85843 A45 2.16619 0.00000 0.00000 0.00007 0.00007 2.16626 A46 1.90027 0.00000 0.00000 -0.00002 -0.00002 1.90025 A47 2.19027 0.00000 0.00000 0.00002 0.00002 2.19029 A48 2.18469 0.00000 0.00000 0.00001 0.00001 2.18470 D1 0.17854 0.00000 0.00000 -0.00002 -0.00002 0.17852 D2 -2.95586 0.00000 0.00000 -0.00007 -0.00007 -2.95592 D3 -3.01762 0.00000 0.00000 0.00002 0.00002 -3.01760 D4 0.13117 0.00000 0.00000 -0.00003 -0.00003 0.13114 D5 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 D6 3.08341 0.00000 0.00000 0.00005 0.00005 3.08345 D7 -3.08341 0.00000 0.00000 -0.00004 -0.00004 -3.08345 D8 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D9 -0.17600 0.00000 0.00000 -0.00014 -0.00014 -0.17614 D10 -2.86554 0.00001 0.00000 0.00028 0.00028 -2.86527 D11 1.74079 0.00000 0.00000 0.00012 0.00012 1.74091 D12 2.95823 0.00000 0.00000 -0.00009 -0.00009 2.95815 D13 0.26869 0.00001 0.00000 0.00033 0.00033 0.26902 D14 -1.40817 0.00000 0.00000 0.00017 0.00017 -1.40799 D15 -0.00022 0.00000 0.00000 0.00031 0.00031 0.00010 D16 -2.66331 0.00001 0.00000 0.00011 0.00011 -2.66320 D17 1.89506 0.00001 0.00000 0.00036 0.00036 1.89542 D18 2.66326 -0.00001 0.00000 -0.00014 -0.00014 2.66312 D19 0.00016 0.00000 0.00000 -0.00034 -0.00034 -0.00018 D20 -1.72465 0.00000 0.00000 -0.00009 -0.00009 -1.72475 D21 -1.89533 -0.00001 0.00000 -0.00003 -0.00003 -1.89535 D22 1.72476 -0.00001 0.00000 -0.00023 -0.00023 1.72453 D23 -0.00005 0.00000 0.00000 0.00002 0.00002 -0.00003 D24 -2.85057 0.00000 0.00000 -0.00006 -0.00006 -2.85063 D25 1.26193 0.00000 0.00000 0.00000 0.00000 1.26193 D26 -0.98905 0.00000 0.00000 -0.00007 -0.00007 -0.98912 D27 -0.68130 0.00000 0.00000 0.00000 0.00000 -0.68130 D28 -2.85198 0.00000 0.00000 0.00007 0.00007 -2.85192 D29 1.18022 0.00000 0.00000 -0.00001 -0.00001 1.18022 D30 1.43066 0.00000 0.00000 -0.00001 -0.00001 1.43065 D31 -0.74002 0.00000 0.00000 0.00006 0.00006 -0.73996 D32 -2.99100 0.00000 0.00000 -0.00001 -0.00001 -2.99101 D33 0.17632 0.00000 0.00000 -0.00032 -0.00032 0.17600 D34 -2.95793 0.00000 0.00000 -0.00030 -0.00030 -2.95823 D35 2.86551 -0.00001 0.00000 -0.00013 -0.00013 2.86539 D36 -0.26874 0.00000 0.00000 -0.00010 -0.00010 -0.26884 D37 -1.74061 0.00000 0.00000 -0.00026 -0.00026 -1.74087 D38 1.40832 0.00000 0.00000 -0.00024 -0.00024 1.40809 D39 0.68139 0.00000 0.00000 -0.00002 -0.00002 0.68137 D40 2.85201 0.00000 0.00000 -0.00001 -0.00001 2.85200 D41 -1.18012 0.00000 0.00000 0.00000 0.00000 -1.18012 D42 2.85068 0.00000 0.00000 0.00000 0.00000 2.85068 D43 -1.26189 0.00000 0.00000 0.00002 0.00002 -1.26187 D44 0.98916 0.00000 0.00000 0.00003 0.00003 0.98919 D45 -1.43058 0.00000 0.00000 0.00001 0.00001 -1.43057 D46 0.74003 0.00000 0.00000 0.00002 0.00002 0.74005 D47 2.99109 0.00000 0.00000 0.00003 0.00003 2.99112 D48 -0.17865 0.00000 0.00000 0.00017 0.00017 -0.17849 D49 3.01752 0.00000 0.00000 0.00012 0.00012 3.01764 D50 2.95576 0.00000 0.00000 0.00014 0.00014 2.95591 D51 -0.13125 0.00000 0.00000 0.00010 0.00010 -0.13115 D52 -3.04178 0.00000 0.00000 0.00006 0.00006 -3.04172 D53 -1.23166 0.00000 0.00000 0.00035 0.00035 -1.23131 D54 1.46149 -0.00001 0.00000 -0.00005 -0.00005 1.46143 D55 -0.92106 0.00000 0.00000 0.00004 0.00004 -0.92103 D56 0.88906 0.00000 0.00000 0.00032 0.00032 0.88939 D57 -2.70098 -0.00001 0.00000 -0.00008 -0.00008 -2.70105 D58 1.26838 0.00000 0.00000 0.00010 0.00010 1.26848 D59 3.07850 0.00000 0.00000 0.00038 0.00038 3.07889 D60 -0.51154 -0.00001 0.00000 -0.00002 -0.00002 -0.51155 D61 3.04171 0.00000 0.00000 0.00014 0.00014 3.04185 D62 1.23126 0.00000 0.00000 0.00032 0.00032 1.23158 D63 -1.46149 0.00001 0.00000 0.00004 0.00004 -1.46144 D64 0.92100 0.00000 0.00000 0.00013 0.00013 0.92114 D65 -0.88944 0.00000 0.00000 0.00031 0.00031 -0.88913 D66 2.70099 0.00001 0.00000 0.00004 0.00004 2.70103 D67 -1.26843 0.00000 0.00000 0.00006 0.00006 -1.26837 D68 -3.07887 0.00000 0.00000 0.00024 0.00024 -3.07864 D69 0.51156 0.00000 0.00000 -0.00004 -0.00004 0.51153 D70 1.73684 0.00000 0.00000 -0.00007 -0.00007 1.73676 D71 -1.27552 0.00000 0.00000 -0.00004 -0.00004 -1.27556 D72 -2.93014 0.00000 0.00000 0.00003 0.00003 -2.93011 D73 0.34069 0.00000 0.00000 0.00006 0.00006 0.34075 D74 -0.23909 -0.00001 0.00000 -0.00039 -0.00039 -0.23948 D75 3.03174 0.00000 0.00000 -0.00036 -0.00036 3.03138 D76 0.00005 0.00000 0.00000 -0.00010 -0.00010 -0.00005 D77 3.01187 0.00000 0.00000 -0.00006 -0.00006 3.01182 D78 -3.01179 0.00000 0.00000 -0.00007 -0.00007 -3.01186 D79 0.00003 0.00000 0.00000 -0.00003 -0.00003 0.00001 D80 1.27547 0.00000 0.00000 -0.00003 -0.00003 1.27544 D81 -1.73687 0.00000 0.00000 -0.00007 -0.00007 -1.73694 D82 -0.34076 0.00000 0.00000 0.00008 0.00008 -0.34068 D83 2.93008 0.00000 0.00000 0.00004 0.00004 2.93013 D84 -3.03141 0.00000 0.00000 -0.00018 -0.00018 -3.03159 D85 0.23944 0.00000 0.00000 -0.00022 -0.00022 0.23922 Item Value Threshold Converged? Maximum Force 0.000021 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.000860 0.001800 YES RMS Displacement 0.000194 0.001200 YES Predicted change in Energy=-1.813071D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4885 -DE/DX = 0.0 ! ! R2 R(1,6) 1.345 -DE/DX = 0.0 ! ! R3 R(1,7) 1.0873 -DE/DX = 0.0 ! ! R4 R(2,3) 1.4803 -DE/DX = 0.0 ! ! R5 R(2,11) 1.2273 -DE/DX = 0.0 ! ! R6 R(3,4) 1.4101 -DE/DX = 0.0 ! ! R7 R(3,8) 1.0862 -DE/DX = 0.0 ! ! R8 R(3,16) 2.2046 -DE/DX = 0.0 ! ! R9 R(4,5) 1.4803 -DE/DX = 0.0 ! ! R10 R(4,9) 1.0862 -DE/DX = 0.0 ! ! R11 R(4,20) 2.2045 -DE/DX = 0.0 ! ! R12 R(5,6) 1.4885 -DE/DX = 0.0 ! ! R13 R(5,12) 1.2273 -DE/DX = 0.0 ! ! R14 R(6,10) 1.0873 -DE/DX = 0.0 ! ! R15 R(13,14) 1.1026 -DE/DX = 0.0 ! ! R16 R(13,15) 1.0914 -DE/DX = 0.0 ! ! R17 R(13,16) 1.5122 -DE/DX = 0.0 ! ! R18 R(13,20) 1.5122 -DE/DX = 0.0 ! ! R19 R(16,17) 1.0847 -DE/DX = 0.0 ! ! R20 R(16,18) 1.4057 -DE/DX = 0.0 ! ! R21 R(18,19) 1.0844 -DE/DX = 0.0 ! ! R22 R(18,22) 1.3992 -DE/DX = 0.0 ! ! R23 R(20,21) 1.0847 -DE/DX = 0.0 ! ! R24 R(20,22) 1.4056 -DE/DX = 0.0 ! ! R25 R(22,23) 1.0844 -DE/DX = 0.0 ! ! A1 A(2,1,6) 121.983 -DE/DX = 0.0 ! ! A2 A(2,1,7) 115.6614 -DE/DX = 0.0 ! ! A3 A(6,1,7) 122.2785 -DE/DX = 0.0 ! ! A4 A(1,2,3) 116.5055 -DE/DX = 0.0 ! ! A5 A(1,2,11) 120.7136 -DE/DX = 0.0 ! ! A6 A(3,2,11) 122.7795 -DE/DX = 0.0 ! ! A7 A(2,3,4) 120.7051 -DE/DX = 0.0 ! ! A8 A(2,3,8) 114.0419 -DE/DX = 0.0 ! ! A9 A(2,3,16) 99.4493 -DE/DX = 0.0 ! ! A10 A(4,3,8) 119.8886 -DE/DX = 0.0 ! ! A11 A(4,3,16) 101.7589 -DE/DX = 0.0 ! ! A12 A(8,3,16) 91.6321 -DE/DX = 0.0 ! ! A13 A(3,4,5) 120.7022 -DE/DX = 0.0 ! ! A14 A(3,4,9) 119.8865 -DE/DX = 0.0 ! ! A15 A(3,4,20) 101.7631 -DE/DX = 0.0 ! ! A16 A(5,4,9) 114.0383 -DE/DX = 0.0 ! ! A17 A(5,4,20) 99.4556 -DE/DX = 0.0 ! ! A18 A(9,4,20) 91.6406 -DE/DX = 0.0 ! ! A19 A(4,5,6) 116.5058 -DE/DX = 0.0 ! ! A20 A(4,5,12) 122.779 -DE/DX = 0.0 ! ! A21 A(6,5,12) 120.7138 -DE/DX = 0.0 ! ! A22 A(1,6,5) 121.9825 -DE/DX = 0.0 ! ! A23 A(1,6,10) 122.2785 -DE/DX = 0.0 ! ! A24 A(5,6,10) 115.6619 -DE/DX = 0.0 ! ! A25 A(14,13,15) 107.8707 -DE/DX = 0.0 ! ! A26 A(14,13,16) 108.3279 -DE/DX = 0.0 ! ! A27 A(14,13,20) 108.3256 -DE/DX = 0.0 ! ! A28 A(15,13,16) 116.1358 -DE/DX = 0.0 ! ! A29 A(15,13,20) 116.137 -DE/DX = 0.0 ! ! A30 A(16,13,20) 99.53 -DE/DX = 0.0 ! ! A31 A(3,16,13) 89.1373 -DE/DX = 0.0 ! ! A32 A(3,16,17) 101.8556 -DE/DX = 0.0 ! ! A33 A(3,16,18) 101.7311 -DE/DX = 0.0 ! ! A34 A(13,16,17) 123.7478 -DE/DX = 0.0 ! ! A35 A(13,16,18) 106.4807 -DE/DX = 0.0 ! ! A36 A(17,16,18) 124.1173 -DE/DX = 0.0 ! ! A37 A(16,18,19) 125.174 -DE/DX = 0.0 ! ! A38 A(16,18,22) 108.8757 -DE/DX = 0.0 ! ! A39 A(19,18,22) 125.4951 -DE/DX = 0.0 ! ! A40 A(4,20,13) 89.1375 -DE/DX = 0.0 ! ! A41 A(4,20,21) 101.8714 -DE/DX = 0.0 ! ! A42 A(4,20,22) 101.7351 -DE/DX = 0.0 ! ! A43 A(13,20,21) 123.7419 -DE/DX = 0.0 ! ! A44 A(13,20,22) 106.4799 -DE/DX = 0.0 ! ! A45 A(21,20,22) 124.1136 -DE/DX = 0.0 ! ! A46 A(18,22,20) 108.8777 -DE/DX = 0.0 ! ! A47 A(18,22,23) 125.4935 -DE/DX = 0.0 ! ! A48 A(20,22,23) 125.1735 -DE/DX = 0.0 ! ! D1 D(6,1,2,3) 10.2296 -DE/DX = 0.0 ! ! D2 D(6,1,2,11) -169.3581 -DE/DX = 0.0 ! ! D3 D(7,1,2,3) -172.8969 -DE/DX = 0.0 ! ! D4 D(7,1,2,11) 7.5155 -DE/DX = 0.0 ! ! D5 D(2,1,6,5) 0.0004 -DE/DX = 0.0 ! ! D6 D(2,1,6,10) 176.6662 -DE/DX = 0.0 ! ! D7 D(7,1,6,5) -176.6662 -DE/DX = 0.0 ! ! D8 D(7,1,6,10) -0.0004 -DE/DX = 0.0 ! ! D9 D(1,2,3,4) -10.084 -DE/DX = 0.0 ! ! D10 D(1,2,3,8) -164.1834 -DE/DX = 0.0 ! ! D11 D(1,2,3,16) 99.7396 -DE/DX = 0.0 ! ! D12 D(11,2,3,4) 169.4944 -DE/DX = 0.0 ! ! D13 D(11,2,3,8) 15.3949 -DE/DX = 0.0 ! ! D14 D(11,2,3,16) -80.6821 -DE/DX = 0.0 ! ! D15 D(2,3,4,5) -0.0123 -DE/DX = 0.0 ! ! D16 D(2,3,4,9) -152.5964 -DE/DX = 0.0 ! ! D17 D(2,3,4,20) 108.5791 -DE/DX = 0.0 ! ! D18 D(8,3,4,5) 152.5933 -DE/DX = 0.0 ! ! D19 D(8,3,4,9) 0.0092 -DE/DX = 0.0 ! ! D20 D(8,3,4,20) -98.8153 -DE/DX = 0.0 ! ! D21 D(16,3,4,5) -108.5943 -DE/DX = 0.0 ! ! D22 D(16,3,4,9) 98.8216 -DE/DX = 0.0 ! ! D23 D(16,3,4,20) -0.0029 -DE/DX = 0.0 ! ! D24 D(2,3,16,13) -163.3259 -DE/DX = 0.0 ! ! D25 D(2,3,16,17) 72.3031 -DE/DX = 0.0 ! ! D26 D(2,3,16,18) -56.6684 -DE/DX = 0.0 ! ! D27 D(4,3,16,13) -39.0356 -DE/DX = 0.0 ! ! D28 D(4,3,16,17) -163.4067 -DE/DX = 0.0 ! ! D29 D(4,3,16,18) 67.6219 -DE/DX = 0.0 ! ! D30 D(8,3,16,13) 81.9709 -DE/DX = 0.0 ! ! D31 D(8,3,16,17) -42.4002 -DE/DX = 0.0 ! ! D32 D(8,3,16,18) -171.3716 -DE/DX = 0.0 ! ! D33 D(3,4,5,6) 10.1023 -DE/DX = 0.0 ! ! D34 D(3,4,5,12) -169.4771 -DE/DX = 0.0 ! ! D35 D(9,4,5,6) 164.1818 -DE/DX = 0.0 ! ! D36 D(9,4,5,12) -15.3976 -DE/DX = 0.0 ! ! D37 D(20,4,5,6) -99.7296 -DE/DX = 0.0 ! ! D38 D(20,4,5,12) 80.691 -DE/DX = 0.0 ! ! D39 D(3,4,20,13) 39.0409 -DE/DX = 0.0 ! ! D40 D(3,4,20,21) 163.408 -DE/DX = 0.0 ! ! D41 D(3,4,20,22) -67.616 -DE/DX = 0.0 ! ! D42 D(5,4,20,13) 163.3317 -DE/DX = 0.0 ! ! D43 D(5,4,20,21) -72.3012 -DE/DX = 0.0 ! ! D44 D(5,4,20,22) 56.6748 -DE/DX = 0.0 ! ! D45 D(9,4,20,13) -81.9663 -DE/DX = 0.0 ! ! D46 D(9,4,20,21) 42.4007 -DE/DX = 0.0 ! ! D47 D(9,4,20,22) 171.3768 -DE/DX = 0.0 ! ! D48 D(4,5,6,1) -10.236 -DE/DX = 0.0 ! ! D49 D(4,5,6,10) 172.8912 -DE/DX = 0.0 ! ! D50 D(12,5,6,1) 169.3527 -DE/DX = 0.0 ! ! D51 D(12,5,6,10) -7.5202 -DE/DX = 0.0 ! ! D52 D(14,13,16,3) -174.2814 -DE/DX = 0.0 ! ! D53 D(14,13,16,17) -70.569 -DE/DX = 0.0 ! ! D54 D(14,13,16,18) 83.737 -DE/DX = 0.0 ! ! D55 D(15,13,16,3) -52.7729 -DE/DX = 0.0 ! ! D56 D(15,13,16,17) 50.9395 -DE/DX = 0.0 ! ! D57 D(15,13,16,18) -154.7546 -DE/DX = 0.0 ! ! D58 D(20,13,16,3) 72.6729 -DE/DX = 0.0 ! ! D59 D(20,13,16,17) 176.3853 -DE/DX = 0.0 ! ! D60 D(20,13,16,18) -29.3088 -DE/DX = 0.0 ! ! D61 D(14,13,20,4) 174.277 -DE/DX = 0.0 ! ! D62 D(14,13,20,21) 70.5461 -DE/DX = 0.0 ! ! D63 D(14,13,20,22) -83.7371 -DE/DX = 0.0 ! ! D64 D(15,13,20,4) 52.7695 -DE/DX = 0.0 ! ! D65 D(15,13,20,21) -50.9614 -DE/DX = 0.0 ! ! D66 D(15,13,20,22) 154.7553 -DE/DX = 0.0 ! ! D67 D(16,13,20,4) -72.6754 -DE/DX = 0.0 ! ! D68 D(16,13,20,21) -176.4063 -DE/DX = 0.0 ! ! D69 D(16,13,20,22) 29.3104 -DE/DX = 0.0 ! ! D70 D(3,16,18,19) 99.5134 -DE/DX = 0.0 ! ! D71 D(3,16,18,22) -73.082 -DE/DX = 0.0 ! ! D72 D(13,16,18,19) -167.8846 -DE/DX = 0.0 ! ! D73 D(13,16,18,22) 19.52 -DE/DX = 0.0 ! ! D74 D(17,16,18,19) -13.6986 -DE/DX = 0.0 ! ! D75 D(17,16,18,22) 173.706 -DE/DX = 0.0 ! ! D76 D(16,18,22,20) 0.0029 -DE/DX = 0.0 ! ! D77 D(16,18,22,23) 172.5677 -DE/DX = 0.0 ! ! D78 D(19,18,22,20) -172.5629 -DE/DX = 0.0 ! ! D79 D(19,18,22,23) 0.0019 -DE/DX = 0.0 ! ! D80 D(4,20,22,18) 73.079 -DE/DX = 0.0 ! ! D81 D(4,20,22,23) -99.5154 -DE/DX = 0.0 ! ! D82 D(13,20,22,18) -19.5243 -DE/DX = 0.0 ! ! D83 D(13,20,22,23) 167.8814 -DE/DX = 0.0 ! ! D84 D(21,20,22,18) -173.6868 -DE/DX = 0.0 ! ! D85 D(21,20,22,23) 13.7189 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.145988 -1.854063 0.017997 2 6 0 0.980996 -2.670431 -0.905002 3 6 0 2.028709 -1.948229 -1.661333 4 6 0 2.073134 -0.538854 -1.663241 5 6 0 1.072848 0.249889 -0.909149 6 6 0 0.188270 -0.509767 0.016094 7 1 0 -0.536364 -2.412670 0.654142 8 1 0 2.427256 -2.503467 -2.505532 9 1 0 2.505660 -0.012135 -2.508988 10 1 0 -0.457575 0.092414 0.650591 11 8 0 0.788381 -3.876734 -1.023190 12 8 0 0.956356 1.465555 -1.030848 13 6 0 4.541514 -1.321145 -1.079131 14 1 0 5.585225 -1.353469 -0.725078 15 1 0 4.557825 -1.323145 -2.170375 16 6 0 3.781345 -2.451301 -0.422244 17 1 0 3.931265 -3.498267 -0.662890 18 6 0 3.382259 -1.982041 0.841257 19 1 0 2.981819 -2.598321 1.638649 20 6 0 3.853921 -0.143667 -0.425349 21 1 0 4.069633 0.891132 -0.668644 22 6 0 3.426291 -0.583508 0.839361 23 1 0 3.065498 0.058874 1.635077 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.488497 0.000000 3 C 2.524609 1.480309 0.000000 4 C 2.875800 2.512233 1.410076 0.000000 5 C 2.478967 2.921767 2.512205 1.480318 0.000000 6 C 1.344962 2.478972 2.875786 2.524623 1.488499 7 H 1.087349 2.190834 3.486650 3.961177 3.481761 8 H 3.463251 2.163618 1.086187 2.166694 3.458877 9 H 3.917448 3.458889 2.166671 1.086186 2.163583 10 H 2.133832 3.481763 3.961165 3.486662 2.190841 11 O 2.363882 1.227287 2.380078 3.633414 4.137987 12 O 3.574441 4.137974 3.633369 2.380078 1.227284 13 C 4.561616 3.811586 2.654503 2.654442 3.811651 14 H 5.512536 4.792253 3.725470 3.725390 4.792305 15 H 4.953297 4.026172 2.654484 2.654428 4.026188 16 C 3.710300 2.850093 2.204577 2.848774 3.856094 17 H 4.182743 3.073763 2.649382 3.634760 4.720155 18 C 3.341794 3.047847 2.845382 3.173185 3.657705 19 H 3.349981 3.237075 3.495843 3.996197 4.271738 20 C 4.107405 3.855944 2.848772 2.204484 2.850143 21 H 4.837619 4.720199 3.634938 2.649545 3.074045 22 C 3.612386 3.657530 3.173196 2.845355 3.048037 23 H 3.846792 4.271564 3.996212 3.495850 3.237317 6 7 8 9 10 6 C 0.000000 7 H 2.133832 0.000000 8 H 3.917460 4.332993 0.000000 9 H 3.463231 5.002186 2.492568 0.000000 10 H 1.087348 2.506325 5.002196 4.332970 0.000000 11 O 3.574452 2.590729 2.601751 4.482384 4.484204 12 O 2.363882 4.484198 4.482341 2.601693 2.590744 13 C 4.561643 5.475446 2.811155 2.811174 5.475490 14 H 5.512558 6.363804 3.803325 3.803319 6.363842 15 H 4.953306 5.925852 2.458621 2.458616 5.925867 16 C 4.107539 4.450023 2.485229 3.454187 5.058647 17 H 4.837578 4.782552 2.578177 4.194466 5.820666 18 C 3.612485 3.946652 3.519220 3.984106 4.368529 19 H 3.846902 3.658050 4.182197 4.911006 4.477248 20 C 3.710242 5.058485 3.454155 2.485289 4.449987 21 H 4.182865 5.820659 4.194623 2.578520 4.782671 22 C 3.341853 4.368383 3.984046 3.519300 3.946761 23 H 3.350059 4.477071 4.910966 4.182312 3.658194 11 12 13 14 15 11 O 0.000000 12 O 5.344934 0.000000 13 C 4.540944 4.541078 0.000000 14 H 5.428209 5.428335 1.102602 0.000000 15 H 4.695270 4.695311 1.091367 1.773514 0.000000 16 C 3.369099 4.867517 1.512155 2.133290 2.220726 17 H 3.186028 5.798707 2.299026 2.709171 2.719604 18 C 3.714058 4.612559 2.338493 2.775170 3.299398 19 H 3.678437 5.267239 3.383809 3.730226 4.314920 20 C 4.867313 3.369289 1.512174 2.133278 2.220757 21 H 5.798695 3.186478 2.298987 2.708956 2.719660 22 C 4.612267 3.714420 2.338471 2.775123 3.299385 23 H 5.266940 3.678911 3.383786 3.730157 4.314914 16 17 18 19 20 16 C 0.000000 17 H 1.084677 0.000000 18 C 1.405670 2.205178 0.000000 19 H 2.215431 2.647345 1.084430 0.000000 20 C 2.308777 3.363889 2.281748 3.323549 0.000000 21 H 3.363880 4.391584 3.317742 4.322410 1.084682 22 C 2.281746 3.317767 1.399227 2.212666 1.405638 23 H 3.323550 4.322437 2.212650 2.658515 2.215398 21 22 23 21 H 0.000000 22 C 2.205115 0.000000 23 H 2.647277 1.084431 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.909451 -0.673086 0.721676 2 6 0 -1.111177 -1.461199 -0.256720 3 6 0 -0.138510 -0.704997 -1.077324 4 6 0 -0.138888 0.705079 -1.077209 5 6 0 -1.112173 1.460568 -0.256663 6 6 0 -1.909909 0.671875 0.721708 7 1 0 -2.530752 -1.253995 1.399065 8 1 0 0.221352 -1.246093 -1.947677 9 1 0 0.220552 1.246475 -1.947551 10 1 0 -2.531610 1.252330 1.399121 11 8 0 -1.272869 -2.672845 -0.366288 12 8 0 -1.274750 2.672089 -0.366252 13 6 0 2.385896 0.000798 -0.658257 14 1 0 3.451019 0.001156 -0.373225 15 1 0 2.330887 0.000864 -1.748237 16 6 0 1.706410 -1.153873 0.042917 17 1 0 1.873305 -2.195204 -0.210658 18 6 0 1.376141 -0.699322 1.331410 19 1 0 1.048373 -1.329146 2.151092 20 6 0 1.705629 1.154904 0.043133 21 1 0 1.872148 2.196379 -0.210115 22 6 0 1.375715 0.699905 1.331524 23 1 0 1.047583 1.329369 2.151338 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448200 0.9892099 0.6660599 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.13268 -19.13268 -10.27483 -10.27482 -10.22603 Alpha occ. eigenvalues -- -10.22602 -10.21467 -10.21387 -10.21358 -10.20937 Alpha occ. eigenvalues -- -10.20887 -10.20766 -10.20712 -1.03151 -1.02942 Alpha occ. eigenvalues -- -0.88969 -0.83371 -0.76996 -0.72883 -0.72787 Alpha occ. eigenvalues -- -0.68577 -0.62325 -0.58489 -0.57992 -0.54925 Alpha occ. eigenvalues -- -0.53779 -0.49216 -0.48232 -0.46760 -0.46721 Alpha occ. eigenvalues -- -0.44677 -0.41700 -0.40750 -0.40697 -0.40006 Alpha occ. eigenvalues -- -0.39570 -0.39320 -0.39082 -0.37876 -0.37212 Alpha occ. eigenvalues -- -0.32852 -0.28686 -0.25806 -0.25400 -0.25142 Alpha occ. eigenvalues -- -0.24114 Alpha virt. eigenvalues -- -0.09078 -0.03741 -0.02163 0.04089 0.06875 Alpha virt. eigenvalues -- 0.08016 0.10838 0.12068 0.13553 0.13580 Alpha virt. eigenvalues -- 0.15097 0.15135 0.15962 0.17377 0.17486 Alpha virt. eigenvalues -- 0.19699 0.19869 0.20670 0.21913 0.25274 Alpha virt. eigenvalues -- 0.26947 0.29518 0.31834 0.33571 0.34534 Alpha virt. eigenvalues -- 0.36196 0.37930 0.43084 0.44857 0.48426 Alpha virt. eigenvalues -- 0.48558 0.50348 0.51926 0.52831 0.54428 Alpha virt. eigenvalues -- 0.54791 0.56137 0.56699 0.58445 0.60220 Alpha virt. eigenvalues -- 0.61797 0.62439 0.64904 0.65689 0.66459 Alpha virt. eigenvalues -- 0.67570 0.69243 0.72477 0.72867 0.74572 Alpha virt. eigenvalues -- 0.75002 0.76837 0.79225 0.80418 0.81544 Alpha virt. eigenvalues -- 0.82130 0.82603 0.82684 0.83926 0.84247 Alpha virt. eigenvalues -- 0.86570 0.87299 0.88291 0.89340 0.91576 Alpha virt. eigenvalues -- 0.92346 0.92869 0.94909 0.95855 0.96805 Alpha virt. eigenvalues -- 0.99201 1.01525 1.04640 1.05789 1.06996 Alpha virt. eigenvalues -- 1.09270 1.12489 1.14716 1.18157 1.20918 Alpha virt. eigenvalues -- 1.22387 1.23322 1.27426 1.28335 1.34169 Alpha virt. eigenvalues -- 1.35790 1.40071 1.40799 1.41787 1.42116 Alpha virt. eigenvalues -- 1.43718 1.45360 1.48634 1.52252 1.53989 Alpha virt. eigenvalues -- 1.54517 1.62912 1.64040 1.65242 1.70180 Alpha virt. eigenvalues -- 1.77129 1.77533 1.79464 1.83238 1.84511 Alpha virt. eigenvalues -- 1.84722 1.85951 1.89007 1.90259 1.91045 Alpha virt. eigenvalues -- 1.91981 1.92517 1.94249 1.98305 1.98587 Alpha virt. eigenvalues -- 2.02452 2.04220 2.05221 2.08275 2.09860 Alpha virt. eigenvalues -- 2.10509 2.11488 2.13671 2.20205 2.20450 Alpha virt. eigenvalues -- 2.21754 2.24202 2.27769 2.28225 2.30756 Alpha virt. eigenvalues -- 2.32018 2.34415 2.36828 2.40390 2.45222 Alpha virt. eigenvalues -- 2.47129 2.50715 2.57245 2.57979 2.59741 Alpha virt. eigenvalues -- 2.62873 2.62885 2.63411 2.65580 2.66896 Alpha virt. eigenvalues -- 2.68099 2.71168 2.76373 2.83239 2.91144 Alpha virt. eigenvalues -- 2.95543 2.96967 2.97908 3.01625 3.18202 Alpha virt. eigenvalues -- 3.25402 3.99327 4.03201 4.08894 4.18673 Alpha virt. eigenvalues -- 4.25667 4.30665 4.35425 4.36559 4.52481 Alpha virt. eigenvalues -- 4.54471 4.63820 4.66215 4.94530 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.13268 -19.13268 -10.27483 -10.27482 -10.22603 1 1 C 1S 0.00000 0.00002 -0.00133 0.00165 0.00012 2 2S -0.00005 0.00018 0.00034 -0.00027 0.00007 3 2PX 0.00002 0.00000 0.00005 -0.00011 0.00007 4 2PY 0.00008 0.00006 -0.00012 -0.00005 -0.00002 5 2PZ -0.00002 0.00000 -0.00006 0.00019 -0.00005 6 3S 0.00276 -0.00195 -0.01094 0.00379 0.00083 7 3PX 0.00080 -0.00115 -0.00373 0.00176 0.00006 8 3PY 0.00106 -0.00146 -0.00320 0.00076 0.00071 9 3PZ -0.00074 0.00112 0.00370 -0.00189 -0.00012 10 4XX 0.00003 0.00000 0.00014 -0.00021 0.00004 11 4YY 0.00007 -0.00007 0.00024 -0.00023 0.00004 12 4ZZ 0.00001 0.00000 0.00023 -0.00026 0.00008 13 4XY -0.00001 0.00001 -0.00009 0.00008 -0.00002 14 4XZ 0.00000 0.00005 -0.00003 0.00001 0.00000 15 4YZ 0.00002 -0.00001 0.00015 -0.00016 -0.00001 16 2 C 1S 0.00005 -0.00005 -0.63408 0.76427 0.00002 17 2S 0.00008 0.00025 -0.03194 0.03787 -0.00001 18 2PX -0.00001 0.00002 -0.00001 0.00000 -0.00023 19 2PY 0.00004 -0.00004 0.00026 -0.00045 -0.00007 20 2PZ 0.00000 0.00001 -0.00003 0.00004 0.00005 21 3S -0.00034 -0.00190 0.01197 -0.00948 0.00041 22 3PX -0.00026 0.00088 0.00134 -0.00114 -0.00044 23 3PY -0.00281 0.00608 0.00949 -0.00586 -0.00248 24 3PZ -0.00038 0.00041 0.00108 -0.00048 -0.00028 25 4XX 0.00005 -0.00008 0.00575 -0.00711 -0.00015 26 4YY 0.00030 -0.00092 0.00498 -0.00631 -0.00004 27 4ZZ 0.00006 -0.00010 0.00572 -0.00710 -0.00004 28 4XY 0.00004 -0.00012 -0.00013 0.00015 -0.00003 29 4XZ 0.00005 -0.00004 -0.00003 -0.00009 0.00000 30 4YZ 0.00002 -0.00007 -0.00007 0.00010 -0.00004 31 3 C 1S -0.00001 0.00006 -0.00130 0.00160 -0.00032 32 2S -0.00010 0.00030 0.00038 -0.00031 -0.00134 33 2PX -0.00005 0.00004 0.00002 0.00016 0.00000 34 2PY 0.00008 0.00006 -0.00012 -0.00009 0.00008 35 2PZ 0.00000 0.00005 0.00005 -0.00010 -0.00008 36 3S 0.00288 -0.00287 -0.01062 0.00440 0.00910 37 3PX -0.00033 0.00079 0.00278 -0.00179 0.00181 38 3PY 0.00127 -0.00131 -0.00301 0.00057 0.00237 39 3PZ 0.00092 -0.00149 -0.00354 0.00189 0.00251 40 4XX 0.00000 0.00004 0.00020 -0.00024 -0.00008 41 4YY 0.00004 0.00000 0.00019 -0.00022 -0.00033 42 4ZZ 0.00000 0.00008 0.00018 -0.00024 -0.00024 43 4XY 0.00003 0.00001 0.00014 -0.00015 0.00000 44 4XZ 0.00000 0.00004 -0.00003 0.00002 0.00018 45 4YZ 0.00001 0.00001 -0.00009 0.00008 0.00003 46 4 C 1S 0.00006 0.00001 0.00157 0.00133 0.00021 47 2S 0.00032 0.00005 -0.00043 -0.00023 0.00101 48 2PX 0.00006 -0.00003 0.00001 0.00016 0.00002 49 2PY -0.00001 -0.00010 -0.00010 0.00011 0.00013 50 2PZ 0.00005 0.00002 -0.00006 -0.00009 0.00005 51 3S -0.00387 0.00124 0.01125 0.00236 -0.00777 52 3PX 0.00085 0.00006 -0.00306 -0.00124 -0.00162 53 3PY 0.00174 -0.00053 -0.00307 0.00000 0.00241 54 3PZ -0.00175 0.00014 0.00383 0.00120 -0.00196 55 4XX 0.00004 0.00002 -0.00024 -0.00019 0.00005 56 4YY -0.00001 0.00004 -0.00022 -0.00018 0.00022 57 4ZZ 0.00007 0.00004 -0.00022 -0.00020 0.00015 58 4XY 0.00001 -0.00003 0.00017 0.00012 0.00002 59 4XZ 0.00004 0.00002 0.00003 0.00001 -0.00011 60 4YZ 0.00000 -0.00002 -0.00010 -0.00006 0.00006 61 5 C 1S -0.00007 0.00002 0.76439 0.63393 -0.00002 62 2S 0.00019 0.00019 0.03839 0.03131 0.00002 63 2PX 0.00002 0.00000 0.00001 0.00000 0.00019 64 2PY 0.00005 -0.00001 0.00034 0.00039 -0.00005 65 2PZ 0.00001 0.00001 0.00004 0.00004 -0.00004 66 3S -0.00153 -0.00118 -0.01351 -0.00711 -0.00027 67 3PX 0.00091 0.00017 -0.00154 -0.00087 0.00018 68 3PY -0.00669 -0.00029 0.01041 0.00401 -0.00181 69 3PZ 0.00053 -0.00015 -0.00115 -0.00027 0.00036 70 4XX -0.00010 0.00001 -0.00697 -0.00593 0.00013 71 4YY -0.00095 -0.00015 -0.00606 -0.00528 0.00005 72 4ZZ -0.00012 0.00001 -0.00694 -0.00592 0.00004 73 4XY 0.00013 0.00002 -0.00015 -0.00012 -0.00003 74 4XZ -0.00006 0.00002 0.00001 -0.00009 0.00000 75 4YZ 0.00007 0.00002 -0.00009 -0.00008 -0.00003 76 6 C 1S 0.00002 0.00001 0.00162 0.00138 -0.00006 77 2S 0.00019 0.00004 -0.00038 -0.00020 -0.00003 78 2PX -0.00001 0.00002 -0.00007 -0.00010 -0.00003 79 2PY -0.00002 -0.00010 -0.00011 0.00007 -0.00002 80 2PZ 0.00001 -0.00002 0.00009 0.00017 0.00004 81 3S -0.00300 0.00156 0.01146 0.00170 -0.00099 82 3PX -0.00139 0.00019 0.00399 0.00104 -0.00011 83 3PY 0.00178 -0.00028 -0.00329 -0.00015 0.00056 84 3PZ 0.00133 -0.00014 -0.00399 -0.00117 0.00011 85 4XX -0.00001 0.00002 -0.00017 -0.00018 -0.00002 86 4YY -0.00009 0.00003 -0.00028 -0.00018 -0.00003 87 4ZZ -0.00001 0.00001 -0.00027 -0.00021 -0.00004 88 4XY -0.00001 0.00001 -0.00010 -0.00006 -0.00002 89 4XZ 0.00005 0.00002 0.00004 0.00001 0.00000 90 4YZ 0.00002 -0.00002 0.00018 0.00013 0.00000 91 7 H 1S 0.00004 -0.00008 -0.00014 0.00005 0.00003 92 2S 0.00030 -0.00075 -0.00133 0.00085 0.00006 93 8 H 1S 0.00001 -0.00005 -0.00006 0.00006 -0.00025 94 2S 0.00028 -0.00058 -0.00094 0.00057 0.00008 95 9 H 1S -0.00005 -0.00001 0.00007 0.00005 0.00023 96 2S -0.00064 -0.00002 0.00103 0.00039 -0.00010 97 10 H 1S -0.00009 -0.00001 0.00015 0.00002 -0.00001 98 2S -0.00081 -0.00008 0.00147 0.00059 -0.00006 99 11 O 1S -0.23349 0.96480 -0.00008 -0.00002 0.00010 100 2S -0.00580 0.02454 -0.00094 0.00064 0.00046 101 2PX -0.00004 0.00015 0.00002 -0.00002 0.00001 102 2PY -0.00026 0.00107 0.00004 -0.00004 0.00005 103 2PZ -0.00002 0.00009 0.00002 -0.00001 -0.00001 104 3S -0.00494 0.01619 0.00671 -0.00448 -0.00293 105 3PX -0.00012 0.00030 0.00022 -0.00014 -0.00014 106 3PY -0.00077 0.00222 0.00223 -0.00195 -0.00076 107 3PZ -0.00005 0.00022 0.00012 -0.00017 -0.00005 108 4XX 0.00207 -0.00816 -0.00065 0.00047 0.00027 109 4YY 0.00190 -0.00759 -0.00010 -0.00009 0.00024 110 4ZZ 0.00207 -0.00816 -0.00065 0.00047 0.00031 111 4XY -0.00003 0.00009 0.00007 -0.00006 -0.00003 112 4XZ -0.00001 0.00001 -0.00003 0.00005 -0.00001 113 4YZ -0.00001 0.00006 0.00005 -0.00007 -0.00001 114 12 O 1S 0.96479 0.23355 0.00007 -0.00003 -0.00007 115 2S 0.02448 0.00607 0.00104 0.00045 -0.00030 116 2PX 0.00015 0.00004 -0.00002 -0.00002 -0.00001 117 2PY -0.00107 -0.00026 0.00005 0.00003 0.00003 118 2PZ 0.00009 0.00002 -0.00002 -0.00001 0.00000 119 3S 0.01666 0.00301 -0.00742 -0.00317 0.00197 120 3PX 0.00032 0.00003 -0.00025 -0.00010 0.00011 121 3PY -0.00233 -0.00033 0.00255 0.00150 -0.00049 122 3PZ 0.00022 0.00006 -0.00015 -0.00014 0.00003 123 4XX -0.00820 -0.00189 0.00072 0.00034 -0.00016 124 4YY -0.00762 -0.00178 0.00008 -0.00011 -0.00016 125 4ZZ -0.00821 -0.00189 0.00072 0.00034 -0.00020 126 4XY -0.00010 -0.00002 0.00008 0.00005 -0.00003 127 4XZ 0.00002 0.00000 0.00004 0.00005 0.00001 128 4YZ -0.00006 -0.00002 0.00007 0.00006 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 -0.00002 0.00313 130 2S 0.00001 0.00002 -0.00001 -0.00015 0.00011 131 2PX 0.00000 0.00001 -0.00001 -0.00006 -0.00002 132 2PY -0.00003 0.00002 0.00008 -0.00001 -0.00028 133 2PZ -0.00001 -0.00002 0.00000 0.00003 -0.00001 134 3S -0.00023 -0.00038 0.00015 0.00161 0.00169 135 3PX 0.00013 0.00021 -0.00004 -0.00042 -0.00036 136 3PY 0.00002 -0.00001 0.00020 -0.00002 -0.00289 137 3PZ -0.00006 -0.00010 0.00008 0.00089 0.00046 138 4XX 0.00000 0.00000 0.00000 0.00003 -0.00004 139 4YY 0.00001 0.00001 0.00000 0.00002 -0.00013 140 4ZZ -0.00001 -0.00001 0.00000 0.00003 -0.00007 141 4XY 0.00000 0.00000 -0.00003 0.00000 -0.00007 142 4XZ 0.00001 0.00001 0.00000 -0.00003 0.00003 143 4YZ 0.00000 0.00000 0.00005 0.00000 0.00011 144 14 H 1S 0.00000 0.00000 -0.00001 -0.00008 -0.00008 145 2S -0.00002 -0.00003 0.00000 0.00001 0.00004 146 15 H 1S 0.00002 0.00003 0.00000 -0.00004 -0.00004 147 2S -0.00003 -0.00004 0.00004 0.00042 0.00002 148 16 C 1S 0.00001 -0.00004 0.00005 0.00000 0.84196 149 2S 0.00008 -0.00018 -0.00008 0.00012 0.04341 150 2PX 0.00001 0.00002 -0.00015 0.00009 -0.00026 151 2PY -0.00001 -0.00002 0.00000 0.00008 0.00060 152 2PZ -0.00001 -0.00001 0.00006 0.00000 -0.00015 153 3S -0.00051 0.00112 0.00168 -0.00144 -0.02232 154 3PX 0.00017 -0.00029 -0.00015 -0.00023 0.00192 155 3PY -0.00011 0.00045 0.00105 -0.00137 -0.00655 156 3PZ -0.00019 0.00023 0.00070 -0.00048 -0.00160 157 4XX -0.00001 -0.00003 0.00010 0.00000 -0.00737 158 4YY 0.00001 -0.00006 0.00007 -0.00005 -0.00725 159 4ZZ 0.00001 -0.00006 0.00006 -0.00004 -0.00723 160 4XY 0.00001 -0.00001 -0.00004 -0.00001 0.00005 161 4XZ -0.00001 0.00000 -0.00001 0.00003 -0.00007 162 4YZ -0.00001 0.00000 -0.00001 0.00003 0.00010 163 17 H 1S 0.00001 0.00001 0.00004 -0.00008 -0.00029 164 2S -0.00001 0.00008 0.00038 -0.00055 0.00022 165 18 C 1S -0.00001 0.00000 0.00017 -0.00010 0.01155 166 2S -0.00005 0.00005 0.00042 -0.00021 0.00016 167 2PX 0.00000 0.00002 -0.00010 0.00010 -0.00011 168 2PY 0.00001 0.00002 -0.00005 0.00001 0.00008 169 2PZ 0.00000 0.00003 -0.00008 0.00001 0.00008 170 3S 0.00079 -0.00077 -0.00403 0.00157 0.01050 171 3PX 0.00006 -0.00009 0.00013 -0.00005 0.00121 172 3PY 0.00016 -0.00017 -0.00102 0.00004 0.00131 173 3PZ -0.00030 0.00036 0.00168 -0.00073 -0.00501 174 4XX -0.00002 0.00000 0.00021 -0.00010 -0.00024 175 4YY 0.00000 -0.00002 0.00015 -0.00011 -0.00028 176 4ZZ -0.00001 -0.00002 0.00009 -0.00002 -0.00037 177 4XY 0.00000 0.00000 0.00003 0.00002 0.00007 178 4XZ 0.00000 -0.00001 0.00002 -0.00002 0.00012 179 4YZ 0.00001 0.00000 0.00002 0.00000 -0.00009 180 19 H 1S 0.00001 -0.00002 0.00003 -0.00005 0.00000 181 2S 0.00003 -0.00005 -0.00029 0.00006 0.00092 182 20 C 1S -0.00004 -0.00001 -0.00005 0.00001 -0.52692 183 2S -0.00019 -0.00001 0.00010 0.00010 -0.02755 184 2PX 0.00002 0.00002 0.00016 0.00006 0.00016 185 2PY 0.00001 0.00002 -0.00001 -0.00008 0.00043 186 2PZ 0.00000 -0.00001 -0.00006 0.00001 0.00017 187 3S 0.00123 0.00006 -0.00192 -0.00110 0.01580 188 3PX -0.00034 0.00002 0.00011 -0.00026 -0.00167 189 3PY -0.00045 -0.00011 0.00128 0.00116 -0.00528 190 3PZ 0.00030 -0.00006 -0.00077 -0.00034 0.00126 191 4XX -0.00003 -0.00002 -0.00010 0.00002 0.00451 192 4YY -0.00006 -0.00002 -0.00008 -0.00003 0.00457 193 4ZZ -0.00006 -0.00001 -0.00007 -0.00003 0.00444 194 4XY 0.00001 -0.00001 -0.00003 0.00002 0.00009 195 4XZ 0.00000 -0.00001 0.00001 0.00002 0.00003 196 4YZ -0.00001 0.00001 -0.00001 -0.00002 0.00006 197 21 H 1S 0.00000 0.00002 -0.00005 -0.00007 0.00018 198 2S 0.00008 0.00003 -0.00047 -0.00047 0.00030 199 22 C 1S 0.00001 -0.00001 -0.00019 -0.00007 -0.00712 200 2S 0.00007 -0.00002 -0.00045 -0.00013 -0.00012 201 2PX 0.00002 0.00001 0.00012 0.00008 0.00009 202 2PY -0.00001 -0.00002 -0.00005 0.00000 0.00008 203 2PZ 0.00003 0.00002 0.00008 0.00000 -0.00006 204 3S -0.00105 0.00035 0.00425 0.00079 -0.00856 205 3PX -0.00011 0.00001 -0.00013 -0.00002 -0.00101 206 3PY 0.00022 -0.00007 -0.00101 0.00015 0.00139 207 3PZ 0.00046 -0.00010 -0.00178 -0.00040 0.00407 208 4XX 0.00001 -0.00002 -0.00022 -0.00006 0.00014 209 4YY -0.00002 0.00000 -0.00017 -0.00008 0.00022 210 4ZZ -0.00001 -0.00002 -0.00009 -0.00001 0.00026 211 4XY 0.00000 0.00000 0.00002 -0.00003 0.00006 212 4XZ -0.00001 0.00000 -0.00002 -0.00002 -0.00009 213 4YZ 0.00000 -0.00001 0.00002 0.00000 -0.00002 214 23 H 1S -0.00002 0.00000 -0.00004 -0.00005 -0.00004 215 2S -0.00005 0.00001 0.00030 0.00001 -0.00077 6 7 8 9 10 O O O O O Eigenvalues -- -10.22602 -10.21467 -10.21387 -10.21358 -10.20937 1 1 C 1S 0.00012 0.70167 0.70237 0.00004 0.00054 2 2S 0.00008 0.03475 0.03586 -0.00004 -0.00014 3 2PX 0.00008 0.00012 0.00017 0.00000 -0.00010 4 2PY 0.00000 -0.00015 0.00042 -0.00001 0.00001 5 2PZ -0.00002 -0.00009 -0.00017 0.00000 0.00007 6 3S -0.00055 -0.00725 -0.01899 0.00033 0.00054 7 3PX -0.00011 -0.00059 -0.00290 0.00012 0.00004 8 3PY 0.00017 0.00078 -0.00330 -0.00007 -0.00059 9 3PZ 0.00002 0.00068 0.00342 -0.00011 -0.00006 10 4XX 0.00004 -0.00684 -0.00652 0.00000 -0.00005 11 4YY 0.00001 -0.00669 -0.00616 0.00000 0.00002 12 4ZZ 0.00007 -0.00683 -0.00653 -0.00001 -0.00007 13 4XY 0.00001 0.00003 -0.00001 0.00000 -0.00001 14 4XZ 0.00001 -0.00005 -0.00007 -0.00002 -0.00004 15 4YZ -0.00003 -0.00003 0.00001 0.00000 0.00005 16 2 C 1S 0.00000 -0.00174 -0.00175 -0.00001 -0.00172 17 2S 0.00002 -0.00032 -0.00037 -0.00007 -0.00044 18 2PX -0.00003 0.00014 0.00010 0.00001 -0.00009 19 2PY -0.00003 -0.00009 -0.00007 0.00002 -0.00005 20 2PZ 0.00001 -0.00011 -0.00007 0.00002 0.00015 21 3S 0.00023 0.00249 0.00630 0.00090 0.00286 22 3PX -0.00048 -0.00093 -0.00156 0.00039 0.00201 23 3PY -0.00096 0.00104 0.00279 -0.00022 0.00250 24 3PZ 0.00025 0.00089 0.00179 -0.00060 -0.00135 25 4XX 0.00000 -0.00019 -0.00019 0.00000 -0.00018 26 4YY 0.00003 -0.00012 -0.00014 0.00004 -0.00022 27 4ZZ 0.00000 -0.00021 -0.00025 -0.00001 -0.00024 28 4XY 0.00000 0.00004 0.00009 0.00004 -0.00007 29 4XZ 0.00001 0.00012 0.00013 -0.00002 0.00010 30 4YZ -0.00002 -0.00006 -0.00006 -0.00001 0.00009 31 3 C 1S -0.00017 -0.00061 -0.00004 -0.00047 0.70026 32 2S -0.00046 -0.00022 0.00004 -0.00014 0.03537 33 2PX 0.00005 0.00003 0.00002 -0.00011 0.00017 34 2PY -0.00014 0.00000 0.00004 -0.00005 -0.00003 35 2PZ -0.00007 -0.00005 -0.00001 0.00003 0.00028 36 3S 0.00094 0.00045 -0.00240 -0.00026 -0.01108 37 3PX 0.00002 0.00006 0.00074 0.00070 0.00023 38 3PY -0.00064 -0.00022 -0.00166 0.00055 0.00119 39 3PZ 0.00067 0.00019 -0.00061 -0.00040 -0.00154 40 4XX -0.00006 -0.00002 0.00003 0.00002 -0.00644 41 4YY -0.00016 0.00000 0.00000 -0.00005 -0.00642 42 4ZZ -0.00015 -0.00002 0.00006 -0.00012 -0.00630 43 4XY -0.00005 0.00001 0.00002 0.00000 0.00005 44 4XZ 0.00012 -0.00003 0.00001 0.00002 -0.00009 45 4YZ -0.00007 -0.00002 0.00001 0.00007 0.00008 46 4 C 1S -0.00030 -0.00061 0.00004 -0.00047 0.70392 47 2S -0.00101 -0.00022 -0.00004 -0.00014 0.03557 48 2PX 0.00004 0.00003 -0.00002 -0.00011 0.00017 49 2PY 0.00009 0.00000 0.00004 0.00005 0.00003 50 2PZ -0.00010 -0.00005 0.00001 0.00003 0.00028 51 3S 0.00482 0.00045 0.00240 -0.00026 -0.01123 52 3PX 0.00081 0.00006 -0.00074 0.00070 0.00024 53 3PY -0.00046 0.00022 -0.00166 -0.00055 -0.00116 54 3PZ 0.00170 0.00019 0.00061 -0.00040 -0.00157 55 4XX -0.00009 -0.00002 -0.00003 0.00002 -0.00647 56 4YY -0.00029 0.00000 0.00000 -0.00005 -0.00645 57 4ZZ -0.00024 -0.00002 -0.00006 -0.00012 -0.00633 58 4XY 0.00004 -0.00001 0.00002 0.00000 -0.00005 59 4XZ 0.00019 -0.00003 -0.00001 0.00002 -0.00009 60 4YZ 0.00005 0.00002 0.00001 -0.00007 -0.00008 61 5 C 1S 0.00001 -0.00174 0.00175 -0.00001 -0.00173 62 2S 0.00001 -0.00032 0.00037 -0.00007 -0.00045 63 2PX -0.00013 0.00014 -0.00010 0.00001 -0.00009 64 2PY 0.00006 0.00009 -0.00007 -0.00002 0.00005 65 2PZ 0.00003 -0.00011 0.00007 0.00002 0.00015 66 3S 0.00039 0.00249 -0.00630 0.00090 0.00290 67 3PX -0.00063 -0.00093 0.00156 0.00039 0.00203 68 3PY 0.00195 -0.00104 0.00279 0.00022 -0.00253 69 3PZ 0.00010 0.00089 -0.00179 -0.00060 -0.00136 70 4XX -0.00007 -0.00019 0.00019 0.00000 -0.00018 71 4YY 0.00001 -0.00013 0.00014 0.00004 -0.00022 72 4ZZ -0.00002 -0.00021 0.00025 -0.00001 -0.00024 73 4XY 0.00002 -0.00004 0.00009 -0.00004 0.00007 74 4XZ 0.00001 0.00012 -0.00013 -0.00002 0.00010 75 4YZ 0.00004 0.00006 -0.00006 0.00001 -0.00009 76 6 C 1S 0.00016 0.70197 -0.70207 0.00004 0.00054 77 2S 0.00010 0.03477 -0.03584 -0.00004 -0.00014 78 2PX 0.00010 0.00012 -0.00017 0.00000 -0.00010 79 2PY 0.00001 0.00015 0.00042 0.00001 -0.00001 80 2PZ -0.00004 -0.00009 0.00017 0.00000 0.00007 81 3S -0.00013 -0.00726 0.01899 0.00033 0.00051 82 3PX -0.00007 -0.00059 0.00291 0.00012 0.00003 83 3PY -0.00047 -0.00078 -0.00329 0.00007 0.00060 84 3PZ -0.00003 0.00068 -0.00342 -0.00011 -0.00005 85 4XX 0.00006 -0.00684 0.00652 0.00000 -0.00005 86 4YY 0.00003 -0.00670 0.00616 0.00000 0.00002 87 4ZZ 0.00010 -0.00684 0.00653 -0.00001 -0.00007 88 4XY -0.00001 -0.00003 -0.00001 0.00000 0.00001 89 4XZ 0.00001 -0.00005 0.00007 -0.00002 -0.00004 90 4YZ 0.00003 0.00003 0.00001 0.00000 -0.00006 91 7 H 1S 0.00003 -0.00028 -0.00032 -0.00001 -0.00007 92 2S 0.00000 0.00128 0.00030 0.00004 0.00003 93 8 H 1S 0.00001 -0.00002 -0.00007 0.00000 -0.00013 94 2S -0.00006 0.00004 -0.00027 -0.00038 0.00169 95 9 H 1S -0.00010 -0.00002 0.00007 0.00000 -0.00013 96 2S -0.00002 0.00004 0.00027 -0.00038 0.00169 97 10 H 1S 0.00004 -0.00028 0.00032 -0.00001 -0.00007 98 2S 0.00003 0.00128 -0.00030 0.00004 0.00003 99 11 O 1S 0.00006 -0.00002 0.00000 0.00001 -0.00009 100 2S 0.00026 -0.00010 -0.00002 0.00006 -0.00044 101 2PX 0.00000 -0.00001 -0.00002 -0.00001 0.00000 102 2PY 0.00003 0.00000 0.00002 0.00000 -0.00003 103 2PZ -0.00001 -0.00001 0.00003 -0.00001 0.00000 104 3S -0.00150 0.00038 0.00012 -0.00046 0.00237 105 3PX -0.00004 0.00013 0.00030 -0.00003 -0.00008 106 3PY -0.00043 0.00008 -0.00018 -0.00017 0.00068 107 3PZ -0.00004 -0.00001 -0.00028 0.00009 0.00024 108 4XX 0.00018 -0.00005 0.00004 0.00003 -0.00029 109 4YY 0.00012 -0.00001 0.00000 0.00000 -0.00014 110 4ZZ 0.00018 -0.00004 0.00001 0.00003 -0.00030 111 4XY -0.00001 0.00001 0.00005 0.00000 0.00002 112 4XZ 0.00001 -0.00004 -0.00004 -0.00001 -0.00005 113 4YZ -0.00001 0.00003 -0.00002 0.00001 0.00005 114 12 O 1S 0.00010 -0.00002 0.00000 0.00001 -0.00009 115 2S 0.00044 -0.00010 0.00002 0.00006 -0.00044 116 2PX 0.00001 -0.00001 0.00002 -0.00001 0.00000 117 2PY -0.00004 0.00000 0.00002 0.00000 0.00003 118 2PZ -0.00001 -0.00001 -0.00003 -0.00001 0.00000 119 3S -0.00263 0.00038 -0.00012 -0.00046 0.00238 120 3PX -0.00010 0.00013 -0.00030 -0.00003 -0.00008 121 3PY 0.00072 -0.00008 -0.00018 0.00017 -0.00068 122 3PZ -0.00006 -0.00002 0.00028 0.00009 0.00024 123 4XX 0.00028 -0.00005 -0.00004 0.00003 -0.00029 124 4YY 0.00022 -0.00001 0.00000 0.00000 -0.00014 125 4ZZ 0.00030 -0.00004 -0.00001 0.00003 -0.00030 126 4XY 0.00003 -0.00001 0.00005 0.00000 -0.00002 127 4XZ 0.00001 -0.00004 0.00004 -0.00001 -0.00005 128 4YZ 0.00001 -0.00003 -0.00002 -0.00001 -0.00005 129 13 C 1S 0.01361 -0.00008 0.00000 0.99296 0.00059 130 2S 0.00046 -0.00007 0.00000 0.05055 -0.00011 131 2PX -0.00010 -0.00003 0.00000 -0.00020 0.00025 132 2PY 0.00006 0.00000 -0.00004 0.00000 0.00000 133 2PZ -0.00004 0.00001 0.00000 0.00027 -0.00002 134 3S 0.00736 0.00089 0.00000 -0.02046 -0.00133 135 3PX -0.00157 -0.00033 0.00000 0.00177 -0.00036 136 3PY 0.00066 0.00000 0.00001 0.00000 0.00000 137 3PZ 0.00200 0.00031 0.00000 -0.00188 -0.00105 138 4XX -0.00018 0.00003 0.00000 -0.00888 -0.00003 139 4YY -0.00056 -0.00001 0.00000 -0.00901 -0.00005 140 4ZZ -0.00031 -0.00001 0.00000 -0.00879 -0.00011 141 4XY 0.00002 0.00000 0.00001 0.00000 0.00000 142 4XZ 0.00013 -0.00003 0.00000 0.00008 0.00010 143 4YZ -0.00003 0.00000 0.00001 0.00000 0.00000 144 14 H 1S -0.00035 -0.00003 0.00000 0.00008 0.00008 145 2S 0.00016 0.00002 0.00000 0.00258 0.00070 146 15 H 1S -0.00019 -0.00001 0.00000 0.00005 -0.00001 147 2S 0.00011 0.00001 0.00000 0.00242 -0.00053 148 16 C 1S 0.52660 -0.00008 -0.00005 -0.01004 -0.00002 149 2S 0.02628 0.00015 0.00007 -0.00057 -0.00066 150 2PX -0.00015 -0.00004 -0.00003 -0.00005 0.00007 151 2PY 0.00024 0.00002 0.00000 0.00001 -0.00015 152 2PZ 0.00008 0.00000 -0.00005 0.00002 -0.00004 153 3S -0.00977 -0.00124 -0.00063 0.00468 0.00310 154 3PX 0.00014 0.00027 0.00029 0.00126 -0.00099 155 3PY -0.00141 -0.00055 -0.00016 0.00152 0.00103 156 3PZ -0.00040 -0.00013 0.00003 -0.00147 -0.00012 157 4XX -0.00484 0.00004 0.00003 -0.00007 -0.00004 158 4YY -0.00445 0.00006 0.00004 -0.00014 -0.00029 159 4ZZ -0.00473 0.00007 0.00006 -0.00006 -0.00017 160 4XY -0.00011 0.00000 0.00000 -0.00010 -0.00003 161 4XZ -0.00007 0.00003 0.00002 0.00007 0.00009 162 4YZ 0.00008 0.00000 -0.00001 0.00009 -0.00003 163 17 H 1S -0.00020 0.00000 0.00001 -0.00016 -0.00005 164 2S 0.00114 -0.00009 0.00004 -0.00020 0.00014 165 18 C 1S 0.00747 -0.00053 -0.00045 -0.00086 -0.00299 166 2S 0.00006 -0.00016 -0.00021 -0.00032 -0.00026 167 2PX -0.00003 0.00015 0.00011 -0.00003 0.00003 168 2PY -0.00002 -0.00007 0.00002 -0.00001 -0.00006 169 2PZ 0.00003 0.00000 0.00000 0.00005 0.00019 170 3S 0.00202 0.00084 0.00178 0.00046 -0.00056 171 3PX 0.00018 -0.00024 -0.00048 0.00021 -0.00001 172 3PY -0.00050 0.00009 0.00064 0.00002 0.00021 173 3PZ -0.00101 -0.00036 -0.00023 -0.00047 0.00016 174 4XX -0.00016 -0.00013 -0.00012 -0.00004 -0.00007 175 4YY -0.00008 -0.00006 -0.00004 0.00001 -0.00008 176 4ZZ -0.00015 -0.00007 -0.00007 0.00006 -0.00012 177 4XY 0.00001 0.00002 -0.00003 0.00006 -0.00005 178 4XZ 0.00005 0.00001 0.00000 -0.00011 0.00001 179 4YZ -0.00014 -0.00002 -0.00003 -0.00001 0.00007 180 19 H 1S -0.00010 -0.00008 -0.00012 -0.00002 0.00009 181 2S 0.00013 0.00010 0.00006 0.00031 -0.00001 182 20 C 1S 0.84176 -0.00008 0.00005 -0.01005 -0.00002 183 2S 0.04262 0.00015 -0.00007 -0.00057 -0.00066 184 2PX -0.00025 -0.00004 0.00003 -0.00005 0.00007 185 2PY -0.00048 -0.00002 0.00000 -0.00001 0.00015 186 2PZ 0.00000 0.00000 0.00005 0.00002 -0.00004 187 3S -0.01855 -0.00124 0.00063 0.00468 0.00313 188 3PX 0.00096 0.00027 -0.00029 0.00126 -0.00100 189 3PY 0.00413 0.00055 -0.00016 -0.00151 -0.00104 190 3PZ -0.00106 -0.00013 -0.00003 -0.00147 -0.00011 191 4XX -0.00758 0.00004 -0.00003 -0.00007 -0.00004 192 4YY -0.00717 0.00006 -0.00004 -0.00014 -0.00030 193 4ZZ -0.00741 0.00007 -0.00006 -0.00006 -0.00017 194 4XY 0.00008 0.00000 0.00000 0.00010 0.00003 195 4XZ -0.00009 0.00003 -0.00002 0.00007 0.00010 196 4YZ -0.00012 0.00000 -0.00001 -0.00009 0.00003 197 21 H 1S -0.00031 0.00000 -0.00001 -0.00016 -0.00005 198 2S 0.00112 -0.00009 -0.00004 -0.00020 0.00014 199 22 C 1S 0.01177 -0.00053 0.00045 -0.00086 -0.00299 200 2S 0.00012 -0.00016 0.00021 -0.00032 -0.00026 201 2PX -0.00007 0.00015 -0.00011 -0.00003 0.00003 202 2PY -0.00002 0.00007 0.00002 0.00001 0.00006 203 2PZ 0.00007 0.00000 0.00000 0.00005 0.00020 204 3S 0.00641 0.00084 -0.00178 0.00046 -0.00057 205 3PX 0.00069 -0.00024 0.00048 0.00021 -0.00001 206 3PY -0.00012 -0.00009 0.00064 -0.00002 -0.00021 207 3PZ -0.00310 -0.00036 0.00023 -0.00047 0.00016 208 4XX -0.00025 -0.00013 0.00012 -0.00004 -0.00007 209 4YY -0.00019 -0.00006 0.00004 0.00001 -0.00008 210 4ZZ -0.00030 -0.00007 0.00007 0.00006 -0.00012 211 4XY -0.00004 -0.00002 -0.00003 -0.00006 0.00005 212 4XZ 0.00010 0.00001 0.00000 -0.00011 0.00001 213 4YZ 0.00017 0.00002 -0.00003 0.00001 -0.00007 214 23 H 1S -0.00009 -0.00008 0.00012 -0.00002 0.00009 215 2S 0.00052 0.00010 -0.00006 0.00031 -0.00001 11 12 13 14 15 O O O O O Eigenvalues -- -10.20887 -10.20766 -10.20712 -1.03151 -1.02942 1 1 C 1S 0.00009 0.00046 -0.00035 -0.01940 -0.01208 2 2S 0.00017 -0.00004 0.00012 0.03834 0.02284 3 2PX -0.00004 -0.00012 0.00011 0.01059 0.00761 4 2PY 0.00005 -0.00004 -0.00001 -0.00863 -0.01938 5 2PZ 0.00007 -0.00003 -0.00003 -0.01467 -0.01079 6 3S -0.00553 0.00021 -0.00115 0.01427 -0.03275 7 3PX -0.00149 0.00025 -0.00032 -0.00769 -0.00913 8 3PY -0.00341 0.00024 -0.00064 -0.01319 -0.02920 9 3PZ 0.00130 -0.00008 0.00026 0.00725 0.00609 10 4XX 0.00003 -0.00011 0.00012 -0.00023 -0.00010 11 4YY -0.00001 -0.00008 0.00006 0.00246 0.00157 12 4ZZ 0.00002 -0.00010 0.00009 0.00099 0.00127 13 4XY 0.00003 -0.00001 -0.00003 -0.00183 -0.00236 14 4XZ 0.00002 0.00001 0.00001 -0.00227 -0.00222 15 4YZ 0.00003 0.00002 -0.00004 0.00266 0.00320 16 2 C 1S -0.00176 0.00001 0.00001 -0.08702 -0.08536 17 2S -0.00064 -0.00005 0.00022 0.16797 0.16240 18 2PX 0.00005 -0.00010 0.00013 -0.01635 -0.01680 19 2PY -0.00003 -0.00007 0.00012 -0.11627 -0.12459 20 2PZ 0.00007 -0.00008 0.00010 -0.00990 -0.01051 21 3S 0.00837 0.00052 -0.00060 0.05884 0.05485 22 3PX 0.00321 0.00010 -0.00045 0.00606 0.00739 23 3PY 0.00598 -0.00079 0.00002 0.04332 0.06089 24 3PZ -0.00169 0.00019 -0.00031 0.00308 0.00574 25 4XX -0.00015 -0.00007 0.00016 -0.01292 -0.01339 26 4YY -0.00015 -0.00010 0.00022 0.01439 0.01301 27 4ZZ -0.00025 -0.00005 0.00015 -0.01320 -0.01377 28 4XY -0.00002 -0.00002 0.00002 0.00427 0.00422 29 4XZ 0.00009 -0.00002 0.00005 -0.00040 -0.00017 30 4YZ 0.00012 -0.00002 0.00002 0.00293 0.00283 31 3 C 1S 0.70432 0.00289 -0.00108 -0.01823 -0.01168 32 2S 0.03692 -0.00002 0.00007 0.03637 0.02298 33 2PX 0.00015 -0.00004 -0.00002 -0.01420 -0.01064 34 2PY 0.00025 -0.00009 -0.00002 -0.00857 -0.01823 35 2PZ 0.00040 -0.00018 0.00015 0.01050 0.00781 36 3S -0.02855 0.00036 -0.00058 0.00862 -0.03309 37 3PX 0.00239 -0.00010 0.00035 0.00586 0.00255 38 3PY -0.00522 0.00037 -0.00064 -0.01085 -0.02762 39 3PZ -0.00580 0.00059 -0.00074 -0.00897 -0.01120 40 4XX -0.00618 -0.00016 0.00010 0.00081 0.00117 41 4YY -0.00577 -0.00014 0.00008 0.00245 0.00134 42 4ZZ -0.00600 -0.00016 0.00009 0.00038 0.00039 43 4XY -0.00001 0.00002 -0.00004 0.00295 0.00323 44 4XZ -0.00001 0.00002 0.00001 -0.00214 -0.00217 45 4YZ -0.00005 -0.00003 -0.00003 -0.00171 -0.00228 46 4 C 1S -0.70066 0.00287 0.00110 -0.01826 0.01164 47 2S -0.03674 -0.00002 -0.00007 0.03642 -0.02291 48 2PX -0.00015 -0.00004 0.00002 -0.01423 0.01063 49 2PY 0.00025 0.00009 -0.00002 0.00860 -0.01820 50 2PZ -0.00040 -0.00018 -0.00016 0.01052 -0.00778 51 3S 0.02849 0.00036 0.00058 0.00856 0.03311 52 3PX -0.00239 -0.00010 -0.00035 0.00585 -0.00252 53 3PY -0.00523 -0.00037 -0.00064 0.01091 -0.02760 54 3PZ 0.00579 0.00059 0.00075 -0.00899 0.01118 55 4XX 0.00615 -0.00016 -0.00010 0.00082 -0.00117 56 4YY 0.00574 -0.00014 -0.00008 0.00245 -0.00133 57 4ZZ 0.00596 -0.00016 -0.00010 0.00038 -0.00039 58 4XY -0.00001 -0.00002 -0.00004 -0.00296 0.00323 59 4XZ 0.00001 0.00002 -0.00001 -0.00215 0.00217 60 4YZ -0.00005 0.00003 -0.00003 0.00172 -0.00227 61 5 C 1S 0.00175 0.00001 -0.00001 -0.08720 0.08518 62 2S 0.00064 -0.00004 -0.00022 0.16831 -0.16205 63 2PX -0.00005 -0.00010 -0.00013 -0.01648 0.01686 64 2PY -0.00003 0.00006 0.00012 0.11652 -0.12433 65 2PZ -0.00007 -0.00008 -0.00010 -0.00993 0.01049 66 3S -0.00835 0.00051 0.00060 0.05895 -0.05472 67 3PX -0.00320 0.00010 0.00045 0.00611 -0.00742 68 3PY 0.00596 0.00079 0.00003 -0.04344 0.06079 69 3PZ 0.00168 0.00018 0.00031 0.00309 -0.00573 70 4XX 0.00014 -0.00007 -0.00016 -0.01294 0.01335 71 4YY 0.00015 -0.00010 -0.00022 0.01441 -0.01298 72 4ZZ 0.00025 -0.00005 -0.00015 -0.01323 0.01375 73 4XY -0.00002 0.00002 0.00002 -0.00430 0.00424 74 4XZ -0.00009 -0.00002 -0.00005 -0.00040 0.00017 75 4YZ 0.00012 0.00002 0.00002 -0.00293 0.00283 76 6 C 1S -0.00009 0.00046 0.00035 -0.01942 0.01204 77 2S -0.00017 -0.00004 -0.00012 0.03838 -0.02275 78 2PX 0.00004 -0.00012 -0.00011 0.01060 -0.00758 79 2PY 0.00005 0.00004 -0.00001 0.00868 -0.01937 80 2PZ -0.00007 -0.00003 0.00003 -0.01469 0.01076 81 3S 0.00553 0.00021 0.00115 0.01421 0.03278 82 3PX 0.00149 0.00025 0.00032 -0.00772 0.00913 83 3PY -0.00341 -0.00024 -0.00064 0.01324 -0.02916 84 3PZ -0.00130 -0.00008 -0.00026 0.00726 -0.00608 85 4XX -0.00003 -0.00011 -0.00012 -0.00023 0.00010 86 4YY 0.00001 -0.00008 -0.00007 0.00247 -0.00157 87 4ZZ -0.00002 -0.00009 -0.00009 0.00099 -0.00126 88 4XY 0.00003 0.00001 -0.00003 0.00184 -0.00235 89 4XZ -0.00002 0.00001 -0.00001 -0.00227 0.00221 90 4YZ 0.00003 -0.00002 -0.00004 -0.00267 0.00319 91 7 H 1S -0.00014 0.00005 -0.00003 0.00626 0.00519 92 2S -0.00072 0.00005 -0.00016 -0.00647 -0.00382 93 8 H 1S -0.00001 0.00006 -0.00006 0.00624 0.00527 94 2S 0.00039 0.00032 -0.00053 -0.00447 -0.00321 95 9 H 1S 0.00001 0.00006 0.00006 0.00625 -0.00525 96 2S -0.00038 0.00032 0.00053 -0.00447 0.00320 97 10 H 1S 0.00013 0.00005 0.00003 0.00627 -0.00518 98 2S 0.00072 0.00005 0.00016 -0.00647 0.00380 99 11 O 1S -0.00008 0.00005 -0.00001 -0.13459 -0.13764 100 2S -0.00040 0.00020 -0.00006 0.28906 0.29264 101 2PX 0.00003 0.00003 -0.00004 0.01481 0.01505 102 2PY -0.00002 0.00003 -0.00004 0.11018 0.11180 103 2PZ -0.00002 0.00002 -0.00003 0.01024 0.01041 104 3S 0.00274 -0.00118 0.00027 0.29516 0.31725 105 3PX -0.00036 -0.00016 0.00020 0.00610 0.00706 106 3PY 0.00044 -0.00030 0.00004 0.04427 0.04923 107 3PZ 0.00040 -0.00014 0.00014 0.00435 0.00465 108 4XX -0.00022 0.00013 -0.00003 -0.00709 -0.00834 109 4YY -0.00020 0.00013 -0.00009 0.00619 0.00574 110 4ZZ -0.00022 0.00013 -0.00003 -0.00734 -0.00863 111 4XY -0.00004 -0.00003 0.00003 0.00192 0.00208 112 4XZ -0.00003 -0.00001 0.00001 0.00189 0.00203 113 4YZ 0.00007 -0.00003 0.00003 0.00125 0.00131 114 12 O 1S 0.00008 0.00005 0.00001 -0.13489 0.13736 115 2S 0.00039 0.00020 0.00006 0.28968 -0.29203 116 2PX -0.00003 0.00003 0.00004 0.01492 -0.01510 117 2PY -0.00001 -0.00003 -0.00004 -0.11041 0.11156 118 2PZ 0.00002 0.00002 0.00003 0.01026 -0.01039 119 3S -0.00273 -0.00118 -0.00028 0.29582 -0.31662 120 3PX 0.00035 -0.00016 -0.00020 0.00615 -0.00708 121 3PY 0.00043 0.00030 0.00004 -0.04436 0.04913 122 3PZ -0.00040 -0.00014 -0.00014 0.00436 -0.00464 123 4XX 0.00022 0.00013 0.00003 -0.00710 0.00832 124 4YY 0.00020 0.00013 0.00009 0.00620 -0.00573 125 4ZZ 0.00022 0.00013 0.00003 -0.00735 0.00861 126 4XY -0.00004 0.00003 0.00003 -0.00193 0.00209 127 4XZ 0.00003 -0.00001 -0.00001 0.00189 -0.00202 128 4YZ 0.00007 0.00003 0.00003 -0.00126 0.00130 129 13 C 1S 0.00000 0.00094 0.00000 -0.00169 0.00000 130 2S 0.00000 -0.00021 0.00000 0.00213 0.00000 131 2PX 0.00000 -0.00005 0.00000 -0.00116 0.00000 132 2PY 0.00026 0.00000 -0.00015 0.00000 -0.00014 133 2PZ 0.00000 -0.00006 0.00000 0.00042 0.00000 134 3S 0.00000 0.00034 0.00000 0.00369 0.00000 135 3PX 0.00000 0.00006 0.00000 0.00115 0.00000 136 3PY 0.00053 0.00000 -0.00035 0.00000 -0.00248 137 3PZ 0.00000 0.00081 0.00000 -0.00014 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00027 0.00000 139 4YY 0.00000 -0.00002 0.00000 0.00004 0.00000 140 4ZZ 0.00000 0.00009 0.00000 -0.00027 0.00000 141 4XY -0.00004 0.00000 -0.00001 0.00000 0.00010 142 4XZ 0.00000 -0.00008 0.00000 -0.00004 0.00000 143 4YZ 0.00001 0.00000 0.00000 0.00000 -0.00011 144 14 H 1S 0.00000 -0.00015 0.00000 0.00023 0.00000 145 2S 0.00000 -0.00005 0.00000 -0.00072 0.00000 146 15 H 1S 0.00000 0.00003 0.00000 0.00076 0.00000 147 2S 0.00000 0.00049 0.00000 -0.00092 0.00000 148 16 C 1S -0.00017 -0.01012 0.00978 -0.00276 -0.00154 149 2S -0.00122 -0.00065 0.00064 0.00376 0.00103 150 2PX -0.00006 -0.00003 0.00005 -0.00131 -0.00104 151 2PY -0.00015 -0.00005 0.00011 0.00059 -0.00026 152 2PZ -0.00008 -0.00018 0.00005 -0.00009 0.00003 153 3S 0.00564 0.00237 -0.00553 0.00765 0.01196 154 3PX -0.00174 -0.00022 0.00021 -0.00364 -0.00542 155 3PY 0.00240 0.00028 -0.00175 0.00342 0.00426 156 3PZ 0.00025 0.00110 -0.00168 0.00372 0.00502 157 4XX -0.00006 0.00006 -0.00004 -0.00016 -0.00003 158 4YY -0.00024 0.00007 0.00008 -0.00022 -0.00029 159 4ZZ -0.00021 -0.00008 0.00022 -0.00026 -0.00022 160 4XY -0.00015 -0.00003 -0.00004 -0.00010 -0.00016 161 4XZ 0.00012 0.00003 -0.00005 -0.00012 0.00004 162 4YZ -0.00003 -0.00003 0.00008 0.00014 0.00019 163 17 H 1S -0.00006 -0.00005 0.00000 0.00101 0.00056 164 2S 0.00047 0.00002 -0.00020 0.00328 0.00290 165 18 C 1S -0.00119 0.70447 -0.69950 -0.00172 -0.00022 166 2S -0.00024 0.03503 -0.03557 0.00433 0.00297 167 2PX -0.00002 -0.00011 0.00008 -0.00066 -0.00045 168 2PY 0.00001 -0.00008 -0.00031 0.00081 -0.00064 169 2PZ 0.00017 -0.00028 0.00034 -0.00145 -0.00058 170 3S -0.00129 -0.00741 0.01841 -0.00460 -0.02044 171 3PX -0.00010 -0.00006 0.00048 -0.00011 -0.00002 172 3PY 0.00044 0.00032 0.00416 -0.00004 -0.00557 173 3PZ 0.00087 0.00127 -0.00365 0.00292 0.00772 174 4XX -0.00007 -0.00675 0.00644 0.00021 0.00053 175 4YY -0.00006 -0.00678 0.00609 0.00017 -0.00007 176 4ZZ -0.00008 -0.00662 0.00627 0.00009 0.00021 177 4XY -0.00007 0.00002 -0.00007 -0.00005 0.00008 178 4XZ 0.00000 -0.00007 0.00011 -0.00001 -0.00003 179 4YZ -0.00002 -0.00007 0.00000 -0.00007 0.00005 180 19 H 1S 0.00003 -0.00035 0.00029 0.00061 0.00027 181 2S -0.00005 0.00111 -0.00039 0.00025 -0.00067 182 20 C 1S 0.00017 -0.01005 -0.00986 -0.00276 0.00153 183 2S 0.00121 -0.00064 -0.00065 0.00376 -0.00102 184 2PX 0.00006 -0.00003 -0.00005 -0.00131 0.00103 185 2PY -0.00015 0.00005 0.00011 -0.00059 -0.00026 186 2PZ 0.00008 -0.00018 -0.00006 -0.00009 -0.00003 187 3S -0.00563 0.00233 0.00555 0.00768 -0.01194 188 3PX 0.00174 -0.00022 -0.00021 -0.00365 0.00541 189 3PY 0.00240 -0.00026 -0.00176 -0.00344 0.00426 190 3PZ -0.00025 0.00108 0.00169 0.00372 -0.00501 191 4XX 0.00006 0.00006 0.00004 -0.00016 0.00003 192 4YY 0.00024 0.00008 -0.00008 -0.00022 0.00029 193 4ZZ 0.00021 -0.00008 -0.00022 -0.00026 0.00022 194 4XY -0.00015 0.00003 -0.00004 0.00010 -0.00016 195 4XZ -0.00012 0.00003 0.00005 -0.00012 -0.00004 196 4YZ -0.00003 0.00003 0.00008 -0.00014 0.00019 197 21 H 1S 0.00006 -0.00005 0.00000 0.00101 -0.00056 198 2S -0.00047 0.00002 0.00020 0.00328 -0.00289 199 22 C 1S 0.00117 0.69919 0.70478 -0.00172 0.00022 200 2S 0.00024 0.03477 0.03583 0.00433 -0.00295 201 2PX 0.00002 -0.00011 -0.00008 -0.00066 0.00044 202 2PY 0.00001 0.00008 -0.00031 -0.00081 -0.00064 203 2PZ -0.00017 -0.00028 -0.00035 -0.00145 0.00058 204 3S 0.00129 -0.00727 -0.01846 -0.00464 0.02043 205 3PX 0.00009 -0.00006 -0.00049 -0.00011 0.00002 206 3PY 0.00043 -0.00035 0.00416 0.00005 -0.00557 207 3PZ -0.00087 0.00124 0.00366 0.00294 -0.00771 208 4XX 0.00007 -0.00670 -0.00649 0.00021 -0.00053 209 4YY 0.00006 -0.00673 -0.00614 0.00017 0.00007 210 4ZZ 0.00008 -0.00657 -0.00632 0.00010 -0.00021 211 4XY -0.00007 -0.00002 -0.00007 0.00005 0.00008 212 4XZ 0.00000 -0.00007 -0.00011 -0.00001 0.00003 213 4YZ -0.00002 0.00007 0.00000 0.00007 0.00005 214 23 H 1S -0.00003 -0.00035 -0.00030 0.00061 -0.00027 215 2S 0.00005 0.00111 0.00040 0.00025 0.00067 16 17 18 19 20 O O O O O Eigenvalues -- -0.88969 -0.83371 -0.76996 -0.72883 -0.72787 1 1 C 1S -0.01316 -0.10976 0.10154 -0.02536 0.01447 2 2S 0.02473 0.21195 -0.19953 0.05093 -0.02814 3 2PX 0.00642 0.02386 0.01120 -0.01092 -0.01104 4 2PY 0.00823 0.06448 -0.06332 0.01813 0.01720 5 2PZ -0.00494 -0.02839 -0.01006 0.00742 0.01037 6 3S 0.01563 0.14133 -0.15586 0.04103 -0.03703 7 3PX 0.00126 0.00142 0.00501 -0.00414 -0.00447 8 3PY 0.00083 0.00491 0.00037 -0.00081 -0.00857 9 3PZ -0.00016 -0.00148 -0.00516 0.00246 0.00117 10 4XX -0.00027 -0.00628 0.00687 -0.00228 -0.00058 11 4YY 0.00017 0.00375 -0.00560 0.00174 0.00183 12 4ZZ -0.00060 -0.00466 0.00595 -0.00163 -0.00047 13 4XY 0.00024 0.00123 -0.00129 0.00031 0.00076 14 4XZ -0.00098 -0.00687 0.00351 -0.00074 0.00208 15 4YZ -0.00027 -0.00142 0.00131 -0.00046 -0.00053 16 2 C 1S -0.00832 -0.04855 -0.00655 0.00744 0.02724 17 2S 0.01662 0.09495 0.01404 -0.01593 -0.05796 18 2PX 0.01294 0.00476 0.07195 -0.02328 -0.02685 19 2PY 0.03225 0.12615 0.01114 -0.01297 -0.04937 20 2PZ -0.00099 0.01719 -0.07320 0.01846 0.00408 21 3S 0.00842 0.06472 0.00799 -0.00678 -0.03414 22 3PX 0.00026 0.00241 0.00461 -0.00114 0.00267 23 3PY 0.00681 0.03459 -0.00108 0.00031 0.00241 24 3PZ 0.00050 0.00386 -0.00668 -0.00119 -0.00412 25 4XX 0.00170 0.00136 0.00076 -0.00003 -0.00183 26 4YY -0.00167 -0.00552 -0.00074 0.00072 0.00472 27 4ZZ 0.00108 0.00238 -0.00075 0.00024 -0.00107 28 4XY 0.00050 -0.00192 0.00667 -0.00173 -0.00001 29 4XZ -0.00151 -0.00754 -0.00079 -0.00009 0.00282 30 4YZ -0.00057 0.00066 -0.00711 0.00172 0.00066 31 3 C 1S -0.03588 -0.07983 -0.11491 0.02597 0.03761 32 2S 0.06787 0.15076 0.22172 -0.05119 -0.06894 33 2PX 0.00695 -0.03422 -0.00457 0.02020 0.00252 34 2PY 0.01791 0.04108 0.05965 -0.01223 0.04207 35 2PZ 0.01092 0.02094 -0.01247 -0.00673 -0.01448 36 3S 0.04578 0.10840 0.18607 -0.04676 -0.09704 37 3PX 0.00218 -0.00161 0.00403 0.00941 0.00187 38 3PY 0.00153 0.00480 0.00307 0.00134 -0.00059 39 3PZ 0.00140 0.00335 -0.00335 -0.00351 -0.01647 40 4XX -0.00121 -0.00442 -0.00792 0.00308 0.00023 41 4YY 0.00073 0.00173 0.00508 -0.00145 0.00453 42 4ZZ -0.00097 -0.00323 -0.00517 0.00014 -0.00059 43 4XY 0.00017 -0.00056 -0.00012 0.00007 -0.00016 44 4XZ -0.00059 -0.00549 -0.00395 0.00139 0.00203 45 4YZ 0.00089 0.00126 0.00213 -0.00012 0.00039 46 4 C 1S -0.03588 -0.07983 -0.11491 0.02606 -0.03755 47 2S 0.06787 0.15076 0.22172 -0.05135 0.06882 48 2PX 0.00696 -0.03420 -0.00454 0.02020 -0.00250 49 2PY -0.01791 -0.04110 -0.05965 0.01214 0.04210 50 2PZ 0.01092 0.02093 -0.01249 -0.00676 0.01446 51 3S 0.04578 0.10840 0.18607 -0.04700 0.09693 52 3PX 0.00218 -0.00161 0.00403 0.00943 -0.00185 53 3PY -0.00153 -0.00480 -0.00307 -0.00133 -0.00059 54 3PZ 0.00140 0.00334 -0.00336 -0.00355 0.01646 55 4XX -0.00121 -0.00442 -0.00792 0.00308 -0.00022 56 4YY 0.00073 0.00173 0.00508 -0.00144 -0.00453 57 4ZZ -0.00097 -0.00323 -0.00517 0.00014 0.00059 58 4XY -0.00017 0.00056 0.00011 -0.00007 -0.00016 59 4XZ -0.00059 -0.00549 -0.00395 0.00140 -0.00203 60 4YZ -0.00089 -0.00126 -0.00213 0.00012 0.00039 61 5 C 1S -0.00832 -0.04855 -0.00655 0.00750 -0.02722 62 2S 0.01662 0.09495 0.01404 -0.01607 0.05792 63 2PX 0.01297 0.00485 0.07197 -0.02336 0.02683 64 2PY -0.03224 -0.12615 -0.01109 0.01307 -0.04931 65 2PZ -0.00099 0.01719 -0.07320 0.01848 -0.00403 66 3S 0.00842 0.06472 0.00799 -0.00686 0.03412 67 3PX 0.00026 0.00243 0.00461 -0.00113 -0.00267 68 3PY -0.00680 -0.03459 0.00109 -0.00032 0.00240 69 3PZ 0.00050 0.00386 -0.00668 -0.00120 0.00412 70 4XX 0.00170 0.00136 0.00077 -0.00004 0.00183 71 4YY -0.00167 -0.00552 -0.00074 0.00073 -0.00472 72 4ZZ 0.00108 0.00238 -0.00075 0.00024 0.00107 73 4XY -0.00050 0.00193 -0.00667 0.00173 0.00000 74 4XZ -0.00151 -0.00754 -0.00079 -0.00008 -0.00282 75 4YZ 0.00057 -0.00066 0.00711 -0.00172 0.00066 76 6 C 1S -0.01316 -0.10976 0.10154 -0.02533 -0.01453 77 2S 0.02473 0.21195 -0.19953 0.05087 0.02826 78 2PX 0.00642 0.02390 0.01116 -0.01093 0.01100 79 2PY -0.00822 -0.06446 0.06333 -0.01818 0.01716 80 2PZ -0.00494 -0.02839 -0.01005 0.00745 -0.01035 81 3S 0.01563 0.14133 -0.15586 0.04093 0.03713 82 3PX 0.00126 0.00143 0.00501 -0.00415 0.00446 83 3PY -0.00083 -0.00491 -0.00037 0.00083 -0.00856 84 3PZ -0.00016 -0.00148 -0.00516 0.00247 -0.00116 85 4XX -0.00027 -0.00628 0.00686 -0.00229 0.00057 86 4YY 0.00017 0.00375 -0.00560 0.00175 -0.00182 87 4ZZ -0.00060 -0.00466 0.00595 -0.00163 0.00047 88 4XY -0.00024 -0.00124 0.00130 -0.00031 0.00077 89 4XZ -0.00098 -0.00687 0.00351 -0.00073 -0.00208 90 4YZ 0.00027 0.00142 -0.00131 0.00046 -0.00053 91 7 H 1S 0.00389 0.04401 -0.05764 0.01760 -0.00859 92 2S -0.00008 0.00249 -0.00791 0.00316 -0.00286 93 8 H 1S 0.01578 0.03087 0.06606 -0.00917 -0.02928 94 2S 0.00130 0.00136 0.00989 0.00064 -0.01138 95 9 H 1S 0.01578 0.03087 0.06606 -0.00924 0.02926 96 2S 0.00130 0.00136 0.00989 0.00061 0.01138 97 10 H 1S 0.00389 0.04401 -0.05765 0.01758 0.00863 98 2S -0.00008 0.00249 -0.00791 0.00315 0.00287 99 11 O 1S 0.01450 0.04500 0.00398 -0.00404 -0.02167 100 2S -0.03329 -0.10319 -0.00839 0.00907 0.04818 101 2PX 0.00060 -0.00417 0.01544 -0.00537 -0.00671 102 2PY -0.00744 -0.01319 -0.00056 -0.00060 -0.00275 103 2PZ -0.00131 -0.00006 -0.01650 0.00439 0.00191 104 3S -0.02726 -0.08976 -0.01211 0.01093 0.06156 105 3PX 0.00113 -0.00047 0.00605 -0.00257 -0.00480 106 3PY -0.00055 0.00255 -0.00036 -0.00090 -0.00192 107 3PZ -0.00017 0.00022 -0.00656 0.00221 0.00148 108 4XX 0.00016 0.00000 0.00071 -0.00018 -0.00098 109 4YY -0.00043 0.00065 0.00031 -0.00039 -0.00177 110 4ZZ 0.00000 0.00016 -0.00002 0.00004 -0.00050 111 4XY 0.00027 -0.00020 0.00193 -0.00071 -0.00111 112 4XZ -0.00009 -0.00045 -0.00018 0.00000 0.00027 113 4YZ -0.00009 0.00016 -0.00204 0.00055 0.00013 114 12 O 1S 0.01450 0.04500 0.00398 -0.00409 0.02165 115 2S -0.03329 -0.10319 -0.00839 0.00919 -0.04815 116 2PX 0.00060 -0.00418 0.01544 -0.00539 0.00670 117 2PY 0.00744 0.01319 0.00057 0.00061 -0.00274 118 2PZ -0.00131 -0.00006 -0.01650 0.00440 -0.00189 119 3S -0.02726 -0.08976 -0.01211 0.01108 -0.06153 120 3PX 0.00113 -0.00046 0.00605 -0.00258 0.00479 121 3PY 0.00055 -0.00255 0.00036 0.00090 -0.00192 122 3PZ -0.00017 0.00022 -0.00656 0.00222 -0.00148 123 4XX 0.00016 0.00000 0.00071 -0.00018 0.00098 124 4YY -0.00043 0.00065 0.00030 -0.00039 0.00177 125 4ZZ 0.00000 0.00016 -0.00002 0.00004 0.00050 126 4XY -0.00027 0.00020 -0.00193 0.00072 -0.00111 127 4XZ -0.00009 -0.00045 -0.00018 0.00000 -0.00027 128 4YZ 0.00009 -0.00016 0.00204 -0.00055 0.00013 129 13 C 1S -0.09307 0.02438 -0.01227 -0.14468 -0.00018 130 2S 0.17389 -0.04485 0.02501 0.28274 0.00035 131 2PX -0.03937 0.00314 -0.00964 0.00892 -0.00002 132 2PY -0.00002 0.00000 0.00000 -0.00013 0.10428 133 2PZ 0.05383 -0.01906 -0.01862 -0.00820 0.00000 134 3S 0.11462 -0.04103 0.01526 0.26814 0.00033 135 3PX 0.00167 -0.00074 -0.00420 0.00446 0.00000 136 3PY 0.00000 0.00000 0.00000 -0.00002 0.01784 137 3PZ 0.00917 -0.00612 -0.00672 -0.00595 0.00000 138 4XX -0.00109 0.00081 0.00093 -0.00023 0.00000 139 4YY -0.00157 0.00043 -0.00042 -0.00446 -0.00001 140 4ZZ 0.00259 -0.00100 -0.00104 -0.00015 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00001 -0.00767 142 4XZ -0.00501 0.00147 0.00139 0.00226 0.00000 143 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00954 144 14 H 1S 0.04287 -0.01424 0.00322 0.09857 0.00012 145 2S -0.00120 -0.00049 0.00237 0.02374 0.00003 146 15 H 1S 0.03662 -0.00722 0.01701 0.10037 0.00012 147 2S 0.00428 0.00022 0.00761 0.02264 0.00003 148 16 C 1S -0.09520 0.02227 0.00309 -0.02977 0.12221 149 2S 0.17680 -0.04255 -0.00699 0.05916 -0.24006 150 2PX 0.00496 -0.01162 -0.00574 0.06351 0.00540 151 2PY 0.06918 -0.01824 -0.00578 0.03153 0.01541 152 2PZ 0.03151 -0.01606 -0.03780 -0.10098 -0.05010 153 3S 0.13382 -0.02761 0.00095 0.04582 -0.22507 154 3PX -0.00298 -0.00049 -0.00208 0.01248 0.00097 155 3PY 0.02128 -0.00217 0.00078 -0.00098 -0.00117 156 3PZ 0.00345 -0.00202 -0.00714 -0.01811 -0.00743 157 4XX -0.00835 0.00302 0.00189 -0.00017 0.00878 158 4YY 0.00516 -0.00153 0.00002 0.00630 0.00169 159 4ZZ -0.00093 -0.00021 -0.00183 -0.00674 0.00024 160 4XY 0.00144 -0.00108 -0.00013 0.00657 0.00092 161 4XZ -0.00405 0.00153 0.00157 -0.00139 0.00383 162 4YZ 0.00292 -0.00135 -0.00304 -0.00897 -0.00404 163 17 H 1S 0.03228 -0.00719 0.00285 0.02157 -0.08546 164 2S 0.00481 -0.00096 0.00153 0.00350 -0.02213 165 18 C 1S -0.09637 0.02923 0.04104 0.10141 0.07558 166 2S 0.18362 -0.05531 -0.07958 -0.20037 -0.15163 167 2PX 0.01587 -0.01049 -0.00333 0.02100 -0.01339 168 2PY 0.04707 -0.01553 -0.02457 -0.06290 0.08636 169 2PZ -0.06363 0.01445 0.00098 -0.02758 0.06498 170 3S 0.10608 -0.03836 -0.06063 -0.16197 -0.09842 171 3PX -0.00039 -0.00122 -0.00036 0.00782 0.00541 172 3PY 0.00193 -0.00146 -0.00386 -0.00445 0.02848 173 3PZ -0.00040 0.00236 0.00047 -0.01049 -0.00906 174 4XX -0.00908 0.00361 0.00364 0.00929 0.00516 175 4YY 0.00264 -0.00076 -0.00191 -0.00597 0.00869 176 4ZZ 0.00269 -0.00009 0.00147 0.00505 -0.00739 177 4XY 0.00112 -0.00059 -0.00062 -0.00092 0.00004 178 4XZ -0.00478 0.00205 0.00188 0.00090 0.00482 179 4YZ -0.00284 0.00083 0.00128 0.00292 -0.00340 180 19 H 1S 0.03088 -0.01003 -0.02169 -0.06656 -0.05088 181 2S -0.00185 -0.00036 -0.00540 -0.01426 -0.00535 182 20 C 1S -0.09520 0.02227 0.00309 -0.02946 -0.12228 183 2S 0.17680 -0.04255 -0.00700 0.05855 0.24020 184 2PX 0.00501 -0.01164 -0.00575 0.06355 -0.00524 185 2PY -0.06918 0.01823 0.00578 -0.03150 0.01532 186 2PZ 0.03150 -0.01606 -0.03780 -0.10111 0.04987 187 3S 0.13383 -0.02761 0.00094 0.04525 0.22518 188 3PX -0.00297 -0.00050 -0.00208 0.01248 -0.00093 189 3PY -0.02129 0.00217 -0.00078 0.00099 -0.00117 190 3PZ 0.00345 -0.00202 -0.00714 -0.01813 0.00738 191 4XX -0.00835 0.00302 0.00189 -0.00014 -0.00878 192 4YY 0.00516 -0.00153 0.00002 0.00629 -0.00167 193 4ZZ -0.00093 -0.00021 -0.00183 -0.00674 -0.00026 194 4XY -0.00145 0.00108 0.00013 -0.00658 0.00090 195 4XZ -0.00405 0.00153 0.00157 -0.00138 -0.00383 196 4YZ -0.00293 0.00135 0.00304 0.00898 -0.00402 197 21 H 1S 0.03229 -0.00720 0.00285 0.02136 0.08551 198 2S 0.00481 -0.00096 0.00153 0.00345 0.02214 199 22 C 1S -0.09637 0.02924 0.04104 0.10159 -0.07533 200 2S 0.18363 -0.05531 -0.07959 -0.20075 0.15112 201 2PX 0.01589 -0.01050 -0.00335 0.02093 0.01339 202 2PY -0.04705 0.01552 0.02457 0.06270 0.08655 203 2PZ -0.06364 0.01445 0.00099 -0.02741 -0.06504 204 3S 0.10607 -0.03836 -0.06064 -0.16221 0.09800 205 3PX -0.00039 -0.00122 -0.00036 0.00783 -0.00541 206 3PY -0.00192 0.00146 0.00386 0.00438 0.02849 207 3PZ -0.00040 0.00236 0.00048 -0.01051 0.00904 208 4XX -0.00908 0.00361 0.00364 0.00930 -0.00514 209 4YY 0.00264 -0.00076 -0.00191 -0.00595 -0.00871 210 4ZZ 0.00269 -0.00009 0.00147 0.00503 0.00740 211 4XY -0.00113 0.00060 0.00062 0.00093 0.00004 212 4XZ -0.00478 0.00205 0.00189 0.00092 -0.00482 213 4YZ 0.00284 -0.00082 -0.00128 -0.00291 -0.00342 214 23 H 1S 0.03089 -0.01003 -0.02170 -0.06668 0.05071 215 2S -0.00185 -0.00036 -0.00540 -0.01428 0.00531 21 22 23 24 25 O O O O O Eigenvalues -- -0.68577 -0.62325 -0.58489 -0.57992 -0.54925 1 1 C 1S -0.07119 0.08239 0.03995 -0.00004 -0.01510 2 2S 0.14246 -0.16774 -0.08176 -0.00084 0.03139 3 2PX 0.03308 0.00337 0.12367 -0.00426 -0.01246 4 2PY -0.09103 0.11759 -0.09546 0.00334 -0.02299 5 2PZ -0.03938 0.00127 -0.14089 0.00255 0.00977 6 3S 0.13817 -0.15879 -0.07637 0.00369 0.03252 7 3PX 0.00265 0.00276 0.03905 -0.00090 -0.00264 8 3PY -0.00928 0.05493 -0.01746 -0.00233 -0.01382 9 3PZ -0.00194 -0.00040 -0.04543 0.00171 0.00036 10 4XX -0.00003 0.00206 0.00408 -0.00039 -0.00077 11 4YY -0.00715 0.00523 -0.00495 0.00006 -0.00057 12 4ZZ 0.00192 0.00031 0.00529 -0.00004 -0.00028 13 4XY -0.00181 -0.00160 -0.00294 0.00023 0.00142 14 4XZ -0.00855 0.00639 -0.00213 0.00041 -0.00111 15 4YZ 0.00218 0.00116 0.00326 -0.00004 -0.00115 16 2 C 1S -0.08911 -0.00006 -0.08336 0.00491 0.01109 17 2S 0.18804 0.00076 0.18285 -0.01197 -0.02318 18 2PX 0.01140 0.14024 0.00388 -0.01389 -0.03023 19 2PY 0.14373 -0.00374 0.09932 -0.00192 -0.00978 20 2PZ 0.01970 -0.14876 0.01868 -0.00742 0.02647 21 3S 0.15404 -0.00400 0.14523 -0.00440 -0.02822 22 3PX 0.00424 0.01208 0.00531 0.00034 -0.00717 23 3PY 0.03082 -0.00316 0.03677 0.00821 -0.00463 24 3PZ 0.00449 -0.01632 0.00522 -0.00823 -0.00022 25 4XX 0.00101 0.00069 -0.00477 -0.00103 0.00105 26 4YY -0.01256 0.00016 -0.00760 0.00119 0.00069 27 4ZZ 0.00222 -0.00118 -0.00515 0.00074 0.00090 28 4XY -0.00130 0.00469 -0.00067 0.00074 -0.00079 29 4XZ -0.00978 0.00016 -0.00092 -0.00025 -0.00064 30 4YZ -0.00004 -0.00481 0.00007 -0.00054 0.00061 31 3 C 1S -0.06433 -0.08297 0.04039 -0.01131 0.00699 32 2S 0.12671 0.16612 -0.08186 0.02504 -0.01648 33 2PX -0.04949 -0.01521 -0.11607 -0.01032 0.02906 34 2PY -0.07443 -0.10941 -0.07713 0.03447 0.01088 35 2PZ 0.02880 -0.01490 0.12847 -0.03189 -0.01385 36 3S 0.12956 0.17666 -0.08621 0.00984 -0.00907 37 3PX -0.00303 -0.00487 -0.03902 0.00114 0.01683 38 3PY -0.00339 -0.04551 -0.01384 0.01266 0.00635 39 3PZ 0.00124 -0.00414 0.04075 -0.01727 -0.00038 40 4XX 0.00003 -0.00294 0.00722 -0.00159 0.00137 41 4YY -0.00761 -0.00644 -0.00483 0.00126 0.00037 42 4ZZ 0.00177 0.00098 0.00091 -0.00107 -0.00068 43 4XY 0.00375 0.00166 0.00182 -0.00006 -0.00261 44 4XZ -0.00753 -0.00502 -0.00349 -0.00153 0.00138 45 4YZ -0.00081 0.00319 -0.00352 0.00096 0.00114 46 4 C 1S 0.06433 0.08297 0.04039 -0.01130 -0.00699 47 2S -0.12670 -0.16612 -0.08185 0.02502 0.01647 48 2PX 0.04955 0.01529 -0.11611 -0.01029 -0.02908 49 2PY -0.07440 -0.10939 0.07705 -0.03449 0.01086 50 2PZ -0.02880 0.01490 0.12847 -0.03190 0.01386 51 3S -0.12956 -0.17666 -0.08622 0.00981 0.00906 52 3PX 0.00303 0.00490 -0.03902 0.00116 -0.01683 53 3PY -0.00339 -0.04550 0.01382 -0.01266 0.00634 54 3PZ -0.00123 0.00414 0.04074 -0.01728 0.00038 55 4XX -0.00003 0.00294 0.00722 -0.00159 -0.00136 56 4YY 0.00762 0.00644 -0.00484 0.00126 -0.00037 57 4ZZ -0.00177 -0.00098 0.00091 -0.00107 0.00068 58 4XY 0.00374 0.00165 -0.00181 0.00005 -0.00261 59 4XZ 0.00753 0.00502 -0.00350 -0.00153 -0.00138 60 4YZ -0.00080 0.00319 0.00352 -0.00096 0.00114 61 5 C 1S 0.08911 0.00006 -0.08336 0.00492 -0.01110 62 2S -0.18803 -0.00075 0.18285 -0.01198 0.02320 63 2PX -0.01150 -0.14024 0.00395 -0.01391 0.03023 64 2PY 0.14372 -0.00385 -0.09932 0.00192 -0.00977 65 2PZ -0.01970 0.14875 0.01869 -0.00740 -0.02647 66 3S -0.15404 0.00401 0.14523 -0.00440 0.02823 67 3PX -0.00426 -0.01208 0.00534 0.00035 0.00717 68 3PY 0.03082 -0.00318 -0.03678 -0.00821 -0.00463 69 3PZ -0.00450 0.01632 0.00522 -0.00823 0.00022 70 4XX -0.00101 -0.00070 -0.00477 -0.00103 -0.00105 71 4YY 0.01256 -0.00015 -0.00760 0.00119 -0.00070 72 4ZZ -0.00222 0.00118 -0.00515 0.00074 -0.00090 73 4XY -0.00131 0.00469 0.00067 -0.00074 -0.00079 74 4XZ 0.00978 -0.00016 -0.00092 -0.00026 0.00064 75 4YZ -0.00003 -0.00481 -0.00007 0.00054 0.00061 76 6 C 1S 0.07119 -0.08239 0.03995 -0.00004 0.01510 77 2S -0.14246 0.16773 -0.08176 -0.00082 -0.03140 78 2PX -0.03301 -0.00345 0.12361 -0.00426 0.01249 79 2PY -0.09105 0.11759 0.09555 -0.00333 -0.02298 80 2PZ 0.03937 -0.00127 -0.14088 0.00256 -0.00978 81 3S -0.13817 0.15878 -0.07638 0.00370 -0.03252 82 3PX -0.00265 -0.00280 0.03904 -0.00090 0.00265 83 3PY -0.00929 0.05493 0.01749 0.00233 -0.01382 84 3PZ 0.00193 0.00040 -0.04543 0.00171 -0.00037 85 4XX 0.00003 -0.00206 0.00408 -0.00039 0.00077 86 4YY 0.00714 -0.00523 -0.00494 0.00006 0.00057 87 4ZZ -0.00192 -0.00031 0.00529 -0.00004 0.00028 88 4XY -0.00181 -0.00160 0.00295 -0.00023 0.00142 89 4XZ 0.00855 -0.00639 -0.00213 0.00041 0.00112 90 4YZ 0.00219 0.00116 -0.00326 0.00004 -0.00115 91 7 H 1S 0.05316 -0.09316 -0.08258 0.00064 0.02652 92 2S 0.01233 -0.03294 -0.03917 0.00013 0.01339 93 8 H 1S 0.04406 0.09181 -0.08189 0.01199 0.00471 94 2S 0.00871 0.03386 -0.03960 0.00599 0.00786 95 9 H 1S -0.04406 -0.09181 -0.08188 0.01198 -0.00471 96 2S -0.00871 -0.03386 -0.03960 0.00598 -0.00786 97 10 H 1S -0.05316 0.09316 -0.08259 0.00065 -0.02653 98 2S -0.01233 0.03293 -0.03917 0.00013 -0.01340 99 11 O 1S 0.05773 -0.00121 0.03811 -0.00460 -0.00425 100 2S -0.12982 0.00292 -0.08740 0.00958 0.00915 101 2PX 0.00042 0.05063 0.00443 -0.00892 -0.01357 102 2PY 0.02695 -0.00267 0.05916 -0.00377 -0.00946 103 2PZ 0.00465 -0.05461 0.00891 -0.00350 0.01062 104 3S -0.16042 0.00284 -0.11106 0.01936 0.01534 105 3PX -0.00020 0.02682 0.00221 -0.00580 -0.00670 106 3PY 0.01677 -0.00132 0.03648 -0.00047 -0.00482 107 3PZ 0.00209 -0.02881 0.00517 -0.00039 0.00623 108 4XX 0.00079 0.00128 -0.00081 -0.00089 -0.00013 109 4YY 0.00655 -0.00036 0.00805 -0.00065 -0.00116 110 4ZZ 0.00106 -0.00091 -0.00071 -0.00026 0.00010 111 4XY 0.00060 0.00538 0.00097 -0.00087 -0.00133 112 4XZ -0.00107 -0.00028 -0.00028 -0.00008 -0.00010 113 4YZ 0.00095 -0.00579 0.00139 -0.00025 0.00105 114 12 O 1S -0.05773 0.00121 0.03811 -0.00460 0.00425 115 2S 0.12982 -0.00293 -0.08741 0.00958 -0.00916 116 2PX -0.00044 -0.05063 0.00447 -0.00892 0.01358 117 2PY 0.02695 -0.00271 -0.05916 0.00376 -0.00946 118 2PZ -0.00466 0.05461 0.00892 -0.00349 -0.01062 119 3S 0.16042 -0.00285 -0.11106 0.01936 -0.01535 120 3PX 0.00018 -0.02682 0.00224 -0.00580 0.00670 121 3PY 0.01677 -0.00134 -0.03648 0.00046 -0.00482 122 3PZ -0.00209 0.02881 0.00517 -0.00038 -0.00623 123 4XX -0.00079 -0.00129 -0.00081 -0.00089 0.00013 124 4YY -0.00655 0.00036 0.00805 -0.00064 0.00116 125 4ZZ -0.00106 0.00091 -0.00071 -0.00026 -0.00010 126 4XY 0.00060 0.00537 -0.00098 0.00087 -0.00133 127 4XZ 0.00107 0.00028 -0.00028 -0.00008 0.00010 128 4YZ 0.00095 -0.00579 -0.00139 0.00025 0.00105 129 13 C 1S 0.00000 0.00000 -0.02375 -0.08582 -0.00001 130 2S 0.00000 -0.00001 0.04919 0.17290 0.00001 131 2PX -0.00001 0.00000 0.04717 0.09894 0.00006 132 2PY 0.03997 0.00176 0.00002 0.00005 -0.16973 133 2PZ 0.00000 0.00000 0.02023 -0.09307 -0.00003 134 3S 0.00000 -0.00001 0.05534 0.19447 0.00001 135 3PX 0.00000 0.00000 0.02692 0.03590 0.00002 136 3PY 0.01000 -0.00207 0.00001 0.00002 -0.06253 137 3PZ 0.00000 0.00000 0.00798 -0.03349 -0.00001 138 4XX 0.00000 0.00000 0.00062 0.00267 0.00000 139 4YY 0.00000 0.00000 -0.00162 -0.01458 0.00000 140 4ZZ 0.00000 0.00000 0.00053 0.00465 0.00000 141 4XY -0.00243 0.00040 0.00000 0.00001 0.00706 142 4XZ 0.00000 0.00000 0.00046 0.00701 0.00000 143 4YZ 0.00410 0.00165 0.00000 0.00000 -0.00575 144 14 H 1S 0.00000 0.00000 0.04345 0.10589 0.00000 145 2S 0.00000 0.00000 0.01573 0.04888 0.00000 146 15 H 1S 0.00000 0.00000 0.00397 0.11501 0.00002 147 2S 0.00000 0.00000 -0.00646 0.05565 0.00001 148 16 C 1S 0.04342 0.00952 0.00432 0.09085 -0.05960 149 2S -0.08718 -0.02260 -0.00774 -0.18578 0.12369 150 2PX -0.01226 -0.00983 0.02217 0.03118 0.07543 151 2PY 0.00533 -0.00387 0.01322 0.10128 -0.04927 152 2PZ -0.02960 -0.03812 0.00821 -0.04046 -0.15157 153 3S -0.08223 -0.01265 -0.01121 -0.19242 0.12228 154 3PX -0.00340 -0.00979 0.00819 0.01144 0.02511 155 3PY 0.00143 0.00333 0.00085 0.03735 -0.02566 156 3PZ -0.00837 -0.01065 0.00378 -0.00246 -0.05179 157 4XX 0.00464 0.00187 0.00155 0.00878 -0.00287 158 4YY 0.00010 0.00005 0.00054 -0.00386 0.00794 159 4ZZ -0.00062 -0.00187 -0.00093 0.00729 -0.01140 160 4XY 0.00050 0.00019 0.00253 0.00588 0.00019 161 4XZ 0.00209 0.00195 -0.00161 -0.00122 0.00032 162 4YZ -0.00158 -0.00060 -0.00003 -0.00542 -0.00006 163 17 H 1S -0.03143 -0.00203 -0.00917 -0.11855 0.10280 164 2S -0.00981 0.00381 -0.00742 -0.05260 0.05139 165 18 C 1S 0.03121 0.02463 0.00328 -0.04303 0.09111 166 2S -0.06329 -0.05031 -0.00737 0.08805 -0.18734 167 2PX -0.01075 -0.00332 0.00558 -0.03410 0.03274 168 2PY 0.03677 0.03047 0.00207 0.12159 0.11980 169 2PZ 0.02289 0.00423 -0.00385 0.14819 -0.06188 170 3S -0.04283 -0.04634 -0.00446 0.08627 -0.17966 171 3PX 0.00087 0.00166 0.00238 -0.00963 0.01774 172 3PY 0.01224 0.00963 0.00116 0.02841 0.04762 173 3PZ -0.00548 -0.00142 -0.00288 0.04569 -0.03779 174 4XX 0.00248 0.00134 0.00100 -0.00269 0.00580 175 4YY 0.00349 0.00237 -0.00040 0.00505 0.00772 176 4ZZ -0.00264 -0.00129 -0.00032 -0.00746 -0.00194 177 4XY 0.00049 -0.00026 0.00030 0.00198 -0.00474 178 4XZ 0.00255 0.00173 -0.00033 -0.00050 0.00345 179 4YZ -0.00086 0.00075 -0.00020 -0.00534 0.01007 180 19 H 1S -0.02266 -0.02648 -0.00528 0.06186 -0.14772 181 2S -0.00295 -0.01099 -0.00231 0.02854 -0.07146 182 20 C 1S -0.04342 -0.00953 0.00432 0.09084 0.05961 183 2S 0.08718 0.02261 -0.00774 -0.18576 -0.12370 184 2PX 0.01226 0.00983 0.02218 0.03123 -0.07541 185 2PY 0.00533 -0.00386 -0.01320 -0.10124 -0.04934 186 2PZ 0.02960 0.03812 0.00819 -0.04050 0.15154 187 3S 0.08224 0.01266 -0.01121 -0.19240 -0.12230 188 3PX 0.00340 0.00979 0.00819 0.01146 -0.02510 189 3PY 0.00144 0.00334 -0.00085 -0.03733 -0.02568 190 3PZ 0.00837 0.01065 0.00378 -0.00248 0.05178 191 4XX -0.00464 -0.00188 0.00155 0.00878 0.00287 192 4YY -0.00010 -0.00004 0.00053 -0.00387 -0.00794 193 4ZZ 0.00062 0.00187 -0.00093 0.00729 0.01140 194 4XY 0.00049 0.00019 -0.00253 -0.00587 0.00019 195 4XZ -0.00209 -0.00194 -0.00161 -0.00123 -0.00032 196 4YZ -0.00158 -0.00060 0.00003 0.00541 -0.00006 197 21 H 1S 0.03144 0.00204 -0.00916 -0.11853 -0.10280 198 2S 0.00982 -0.00380 -0.00742 -0.05260 -0.05139 199 22 C 1S -0.03121 -0.02463 0.00329 -0.04302 -0.09112 200 2S 0.06327 0.05030 -0.00739 0.08803 0.18736 201 2PX 0.01072 0.00330 0.00558 -0.03402 -0.03283 202 2PY 0.03678 0.03048 -0.00207 -0.12165 0.11976 203 2PZ -0.02289 -0.00423 -0.00385 0.14817 0.06194 204 3S 0.04282 0.04633 -0.00448 0.08627 0.17967 205 3PX -0.00088 -0.00166 0.00238 -0.00960 -0.01777 206 3PY 0.01223 0.00963 -0.00116 -0.02844 0.04760 207 3PZ 0.00548 0.00142 -0.00288 0.04568 0.03780 208 4XX -0.00248 -0.00134 0.00100 -0.00268 -0.00579 209 4YY -0.00349 -0.00237 -0.00040 0.00505 -0.00772 210 4ZZ 0.00264 0.00129 -0.00032 -0.00746 0.00194 211 4XY 0.00049 -0.00025 -0.00030 -0.00199 -0.00474 212 4XZ -0.00254 -0.00173 -0.00033 -0.00050 -0.00345 213 4YZ -0.00086 0.00075 0.00020 0.00534 0.01007 214 23 H 1S 0.02265 0.02648 -0.00529 0.06185 0.14774 215 2S 0.00295 0.01099 -0.00231 0.02854 0.07148 26 27 28 29 30 O O O O O Eigenvalues -- -0.53779 -0.49216 -0.48232 -0.46760 -0.46721 1 1 C 1S 0.00058 0.00942 -0.00307 0.00236 -0.04319 2 2S -0.00176 -0.01930 0.00385 -0.00434 0.08602 3 2PX 0.00431 0.02623 0.10381 -0.03206 -0.10274 4 2PY -0.00467 -0.27547 0.12722 -0.08305 -0.06085 5 2PZ 0.00381 -0.03246 -0.10155 -0.03161 0.11669 6 3S -0.00136 0.01327 0.01219 -0.00373 0.15471 7 3PX 0.00182 0.01078 0.04719 -0.01607 -0.01147 8 3PY -0.00023 -0.09080 0.03083 -0.02457 -0.01369 9 3PZ 0.00357 -0.01229 -0.04584 -0.01855 0.01926 10 4XX 0.00038 0.00388 -0.00285 -0.00128 -0.00051 11 4YY -0.00029 -0.00246 0.00085 -0.00099 -0.00279 12 4ZZ -0.00005 0.00452 -0.00431 0.00368 -0.00081 13 4XY -0.00017 -0.00154 0.00064 -0.00022 0.01095 14 4XZ 0.00018 -0.00399 0.00324 -0.00132 -0.00326 15 4YZ 0.00014 0.00229 -0.00022 -0.00065 -0.01239 16 2 C 1S -0.00730 -0.01534 0.04348 0.01025 0.07102 17 2S 0.01465 0.03703 -0.10295 -0.02342 -0.15778 18 2PX 0.01677 -0.14515 -0.04513 -0.11104 0.00414 19 2PY -0.00316 -0.02777 0.09092 0.02421 0.00503 20 2PZ -0.00343 0.17741 0.07922 0.00452 -0.00531 21 3S 0.02391 0.03851 -0.10467 -0.02949 -0.18749 22 3PX 0.00657 -0.02671 -0.00459 -0.04650 -0.00655 23 3PY -0.00163 -0.01566 0.02368 0.00462 -0.06744 24 3PZ 0.00138 0.04169 0.01408 -0.00211 -0.01396 25 4XX 0.00011 0.00115 0.00042 -0.00048 0.00835 26 4YY -0.00233 -0.00513 0.01182 0.00075 0.00115 27 4ZZ 0.00030 0.00063 -0.00155 0.00214 0.01031 28 4XY -0.00131 0.00211 0.00064 0.00223 -0.00049 29 4XZ -0.00048 -0.00190 0.00477 -0.00087 -0.00401 30 4YZ 0.00026 -0.00261 0.00116 -0.00304 -0.00074 31 3 C 1S 0.00500 -0.00077 -0.00305 -0.02190 -0.04448 32 2S -0.01115 0.00164 0.00393 0.04816 0.08764 33 2PX 0.00065 0.10356 0.02179 -0.05372 0.08345 34 2PY -0.05707 0.11810 0.21395 0.12944 -0.05816 35 2PZ -0.01275 -0.04409 0.06620 -0.09352 -0.12584 36 3S -0.00802 -0.01422 -0.00684 0.05146 0.16130 37 3PX 0.00473 0.04614 0.00551 -0.03708 0.01995 38 3PY -0.01790 0.04977 0.07591 0.03500 -0.00435 39 3PZ -0.00558 -0.01687 0.03685 -0.04297 -0.02461 40 4XX 0.00094 -0.00084 -0.00196 -0.00466 -0.00469 41 4YY -0.00082 0.00077 0.00184 0.00360 -0.00362 42 4ZZ 0.00141 0.00074 -0.00555 -0.00342 0.00376 43 4XY -0.00103 -0.00073 -0.00276 -0.00416 -0.00759 44 4XZ -0.00140 0.00219 0.00290 -0.00130 -0.00123 45 4YZ -0.00096 0.00096 0.00130 0.00035 0.01263 46 4 C 1S 0.00500 -0.00077 -0.00306 -0.02149 0.04468 47 2S -0.01115 0.00164 0.00394 0.04733 -0.08809 48 2PX 0.00061 0.10363 0.02192 -0.05442 -0.08290 49 2PY 0.05707 -0.11804 -0.21395 -0.12999 -0.05703 50 2PZ -0.01274 -0.04409 0.06617 -0.09238 0.12667 51 3S -0.00802 -0.01423 -0.00684 0.04994 -0.16178 52 3PX 0.00472 0.04618 0.00556 -0.03725 -0.01960 53 3PY 0.01791 -0.04973 -0.07590 -0.03504 -0.00404 54 3PZ -0.00558 -0.01688 0.03684 -0.04275 0.02500 55 4XX 0.00093 -0.00084 -0.00196 -0.00462 0.00474 56 4YY -0.00082 0.00077 0.00184 0.00363 0.00358 57 4ZZ 0.00141 0.00074 -0.00555 -0.00346 -0.00373 58 4XY 0.00103 0.00073 0.00276 0.00408 -0.00763 59 4XZ -0.00140 0.00219 0.00290 -0.00129 0.00123 60 4YZ 0.00096 -0.00096 -0.00130 -0.00023 0.01264 61 5 C 1S -0.00730 -0.01534 0.04349 0.00959 -0.07111 62 2S 0.01465 0.03703 -0.10296 -0.02196 0.15798 63 2PX 0.01677 -0.14518 -0.04508 -0.11105 -0.00314 64 2PY 0.00317 0.02767 -0.09096 -0.02425 0.00525 65 2PZ -0.00343 0.17740 0.07921 0.00455 0.00528 66 3S 0.02392 0.03852 -0.10467 -0.02775 0.18774 67 3PX 0.00657 -0.02673 -0.00458 -0.04645 0.00702 68 3PY 0.00162 0.01564 -0.02369 -0.00528 -0.06740 69 3PZ 0.00138 0.04170 0.01408 -0.00198 0.01397 70 4XX 0.00011 0.00115 0.00042 -0.00055 -0.00835 71 4YY -0.00233 -0.00513 0.01182 0.00074 -0.00115 72 4ZZ 0.00030 0.00064 -0.00155 0.00204 -0.01033 73 4XY 0.00131 -0.00210 -0.00065 -0.00223 -0.00048 74 4XZ -0.00048 -0.00190 0.00477 -0.00083 0.00402 75 4YZ -0.00026 0.00261 -0.00115 0.00303 -0.00077 76 6 C 1S 0.00058 0.00942 -0.00307 0.00276 0.04316 77 2S -0.00176 -0.01930 0.00385 -0.00513 -0.08597 78 2PX 0.00431 0.02604 0.10389 -0.03116 0.10310 79 2PY 0.00468 0.27548 -0.12715 0.08246 -0.06157 80 2PZ 0.00381 -0.03245 -0.10156 -0.03268 -0.11643 81 3S -0.00137 0.01326 0.01219 -0.00516 -0.15466 82 3PX 0.00181 0.01072 0.04720 -0.01599 0.01163 83 3PY 0.00023 0.09081 -0.03080 0.02442 -0.01392 84 3PZ 0.00357 -0.01229 -0.04584 -0.01872 -0.01910 85 4XX 0.00038 0.00388 -0.00284 -0.00128 0.00051 86 4YY -0.00029 -0.00246 0.00085 -0.00097 0.00282 87 4ZZ -0.00005 0.00452 -0.00431 0.00369 0.00077 88 4XY 0.00017 0.00155 -0.00064 0.00032 0.01095 89 4XZ 0.00018 -0.00399 0.00324 -0.00129 0.00328 90 4YZ -0.00014 -0.00229 0.00022 0.00053 -0.01239 91 7 H 1S 0.00051 0.05252 -0.10262 0.02311 0.14426 92 2S -0.00026 0.03726 -0.06273 0.02156 0.11206 93 8 H 1S 0.01864 0.00868 -0.07992 0.01328 0.13978 94 2S 0.01464 0.00318 -0.04451 -0.00215 0.10575 95 9 H 1S 0.01864 0.00868 -0.07991 0.01199 -0.13988 96 2S 0.01464 0.00318 -0.04450 -0.00313 -0.10571 97 10 H 1S 0.00051 0.05252 -0.10262 0.02177 -0.14450 98 2S -0.00026 0.03726 -0.06273 0.02053 -0.11227 99 11 O 1S 0.00817 0.02105 -0.05647 -0.00820 -0.03705 100 2S -0.01797 -0.04379 0.11856 0.01727 0.08261 101 2PX 0.01525 -0.07659 -0.05358 -0.08364 -0.02083 102 2PY 0.01252 0.06273 -0.18105 -0.02248 -0.16069 103 2PZ -0.00083 0.11425 0.02351 0.00302 -0.01697 104 3S -0.03084 -0.09107 0.23560 0.03366 0.12108 105 3PX 0.00899 -0.04738 -0.02849 -0.04734 -0.01164 106 3PY 0.00442 0.02845 -0.08581 -0.01093 -0.09208 107 3PZ -0.00059 0.06599 0.01635 0.00296 -0.00839 108 4XX 0.00077 -0.00061 -0.00277 -0.00176 0.00145 109 4YY 0.00123 0.00618 -0.01653 -0.00136 -0.01298 110 4ZZ 0.00019 0.00260 -0.00175 0.00005 0.00176 111 4XY 0.00123 -0.00630 -0.00513 -0.00663 -0.00218 112 4XZ -0.00002 -0.00004 0.00177 -0.00055 -0.00059 113 4YZ -0.00001 0.00984 0.00174 -0.00010 -0.00165 114 12 O 1S 0.00817 0.02105 -0.05648 -0.00786 0.03712 115 2S -0.01797 -0.04379 0.11857 0.01650 -0.08276 116 2PX 0.01526 -0.07656 -0.05373 -0.08346 0.02171 117 2PY -0.01252 -0.06279 0.18103 0.02093 -0.16088 118 2PZ -0.00084 0.11425 0.02349 0.00317 0.01694 119 3S -0.03083 -0.09106 0.23561 0.03253 -0.12137 120 3PX 0.00900 -0.04737 -0.02857 -0.04724 0.01214 121 3PY -0.00442 -0.02849 0.08580 0.01004 -0.09217 122 3PZ -0.00060 0.06599 0.01635 0.00303 0.00836 123 4XX 0.00077 -0.00062 -0.00278 -0.00178 -0.00143 124 4YY 0.00123 0.00619 -0.01652 -0.00123 0.01299 125 4ZZ 0.00019 0.00260 -0.00175 0.00004 -0.00176 126 4XY -0.00123 0.00630 0.00514 0.00661 -0.00225 127 4XZ -0.00002 -0.00004 0.00177 -0.00054 0.00059 128 4YZ 0.00001 -0.00984 -0.00174 0.00008 -0.00165 129 13 C 1S -0.01047 0.00603 -0.00019 0.00736 -0.00003 130 2S 0.02191 -0.01015 -0.00109 -0.02083 0.00010 131 2PX 0.09240 -0.10260 -0.03646 0.23800 -0.00111 132 2PY 0.00006 -0.00003 -0.00001 0.00016 0.02305 133 2PZ -0.15105 -0.06870 -0.04610 0.18499 -0.00085 134 3S 0.03212 -0.03478 0.00436 -0.00003 0.00000 135 3PX 0.02989 -0.04978 -0.02294 0.09067 -0.00042 136 3PY 0.00002 -0.00001 -0.00001 0.00005 0.00811 137 3PZ -0.05998 -0.04161 -0.03197 0.09986 -0.00046 138 4XX -0.00022 -0.00313 -0.00120 0.00886 -0.00004 139 4YY 0.00430 0.00064 0.00078 0.00022 0.00000 140 4ZZ -0.00021 0.00169 -0.00023 -0.00692 0.00003 141 4XY 0.00000 0.00000 0.00000 0.00001 0.00026 142 4XZ 0.00873 -0.00189 -0.00020 0.00650 -0.00003 143 4YZ 0.00000 0.00000 0.00000 0.00001 0.00258 144 14 H 1S 0.03812 -0.07098 -0.02667 0.15790 -0.00073 145 2S 0.02954 -0.04188 -0.01360 0.12000 -0.00056 146 15 H 1S 0.08420 0.03873 0.02426 -0.12232 0.00057 147 2S 0.04931 0.02725 0.00636 -0.07539 0.00035 148 16 C 1S -0.01608 -0.00339 -0.00582 -0.00217 0.01303 149 2S 0.03367 0.00557 0.01215 0.00778 -0.02734 150 2PX 0.01325 -0.03538 -0.01467 0.10156 -0.02285 151 2PY -0.21295 0.00712 -0.02202 -0.05604 0.00326 152 2PZ -0.05368 -0.03417 -0.01956 0.09588 -0.01063 153 3S 0.04699 0.01859 0.01729 -0.01478 -0.04552 154 3PX 0.01054 -0.01074 -0.00533 0.05406 -0.01076 155 3PY -0.08245 0.01197 -0.00149 -0.03493 0.00056 156 3PZ -0.01961 -0.01544 -0.00049 0.03994 -0.01783 157 4XX 0.00119 -0.00170 -0.00068 0.00124 0.00077 158 4YY -0.00084 0.00060 0.00044 -0.00162 -0.00111 159 4ZZ 0.00197 0.00085 -0.00026 -0.00105 0.00203 160 4XY -0.00160 -0.00297 -0.00279 0.00489 0.00014 161 4XZ -0.00199 0.00001 -0.00116 0.00158 0.00175 162 4YZ -0.00333 -0.00265 -0.00238 0.00476 -0.00078 163 17 H 1S 0.12334 0.00069 0.01681 0.02672 -0.01481 164 2S 0.06603 -0.00215 0.01470 0.01104 -0.00393 165 18 C 1S -0.01559 0.00045 0.00255 -0.00145 -0.00932 166 2S 0.03082 -0.00125 -0.00562 0.00349 0.01770 167 2PX -0.05965 -0.03088 -0.02952 0.09283 -0.01562 168 2PY -0.13800 -0.00143 -0.03491 -0.06212 -0.01420 169 2PZ 0.16994 0.01000 0.02027 -0.00096 0.03359 170 3S 0.05631 0.00023 -0.00635 0.00589 0.03735 171 3PX -0.01906 -0.01534 -0.01469 0.04629 -0.00055 172 3PY -0.04273 -0.00310 -0.01119 -0.01860 -0.00674 173 3PZ 0.05204 0.00270 0.00847 0.00153 -0.00092 174 4XX 0.00021 -0.00085 0.00034 0.00210 -0.00102 175 4YY 0.00224 0.00007 -0.00043 -0.00061 -0.00017 176 4ZZ 0.00039 0.00110 0.00136 -0.00104 0.00043 177 4XY -0.00037 -0.00064 -0.00107 0.00243 0.00137 178 4XZ -0.00139 0.00152 0.00091 -0.00523 -0.00037 179 4YZ 0.00394 -0.00043 0.00002 0.00212 -0.00310 180 19 H 1S 0.12698 0.00947 0.02169 0.00568 0.03301 181 2S 0.07750 0.00737 0.01472 0.00476 0.02781 182 20 C 1S -0.01608 -0.00339 -0.00582 -0.00227 -0.01301 183 2S 0.03369 0.00557 0.01215 0.00800 0.02726 184 2PX 0.01315 -0.03537 -0.01468 0.10175 0.02192 185 2PY 0.21296 -0.00714 0.02200 0.05615 0.00275 186 2PZ -0.05365 -0.03416 -0.01955 0.09597 0.00974 187 3S 0.04701 0.01860 0.01730 -0.01439 0.04565 188 3PX 0.01050 -0.01073 -0.00533 0.05414 0.01026 189 3PY 0.08246 -0.01199 0.00148 0.03496 0.00023 190 3PZ -0.01959 -0.01544 -0.00049 0.04012 0.01746 191 4XX 0.00119 -0.00170 -0.00069 0.00124 -0.00078 192 4YY -0.00084 0.00061 0.00044 -0.00162 0.00113 193 4ZZ 0.00197 0.00085 -0.00026 -0.00107 -0.00202 194 4XY 0.00161 0.00297 0.00279 -0.00488 0.00018 195 4XZ -0.00199 0.00001 -0.00116 0.00157 -0.00176 196 4YZ 0.00333 0.00265 0.00238 -0.00476 -0.00074 197 21 H 1S 0.12335 0.00068 0.01681 0.02688 0.01456 198 2S 0.06604 -0.00215 0.01470 0.01110 0.00383 199 22 C 1S -0.01558 0.00045 0.00255 -0.00137 0.00934 200 2S 0.03080 -0.00125 -0.00562 0.00333 -0.01773 201 2PX -0.05972 -0.03088 -0.02954 0.09292 0.01478 202 2PY 0.13792 0.00141 0.03489 0.06205 -0.01478 203 2PZ 0.16996 0.00999 0.02027 -0.00123 -0.03359 204 3S 0.05627 0.00022 -0.00635 0.00553 -0.03741 205 3PX -0.01909 -0.01534 -0.01470 0.04628 0.00013 206 3PY 0.04271 0.00309 0.01118 0.01858 -0.00692 207 3PZ 0.05205 0.00271 0.00847 0.00155 0.00091 208 4XX 0.00021 -0.00085 0.00034 0.00211 0.00100 209 4YY 0.00225 0.00007 -0.00043 -0.00061 0.00018 210 4ZZ 0.00039 0.00110 0.00136 -0.00104 -0.00042 211 4XY 0.00037 0.00064 0.00107 -0.00242 0.00139 212 4XZ -0.00139 0.00152 0.00091 -0.00522 0.00042 213 4YZ -0.00394 0.00043 -0.00002 -0.00215 -0.00308 214 23 H 1S 0.12697 0.00946 0.02169 0.00540 -0.03307 215 2S 0.07749 0.00736 0.01472 0.00452 -0.02786 31 32 33 34 35 O O O O O Eigenvalues -- -0.44677 -0.41700 -0.40750 -0.40697 -0.40006 1 1 C 1S 0.01320 0.00504 -0.00226 -0.00905 0.00166 2 2S -0.03042 -0.00955 0.00439 0.02021 -0.00629 3 2PX -0.08353 -0.07317 -0.03925 0.15420 0.02473 4 2PY -0.12394 -0.00885 -0.00600 0.04583 -0.13157 5 2PZ 0.18160 0.06796 0.02964 0.02601 0.00739 6 3S -0.05607 -0.07908 0.00426 0.04233 0.01110 7 3PX -0.02325 -0.05301 -0.02001 0.07759 0.02665 8 3PY -0.01337 -0.04669 -0.00628 -0.00010 -0.03335 9 3PZ 0.07489 0.04860 0.00872 0.02205 -0.01157 10 4XX 0.00711 -0.00228 -0.00090 0.00202 0.00361 11 4YY -0.00326 0.00516 0.00093 0.00264 -0.00403 12 4ZZ 0.00193 -0.00082 0.00060 -0.00728 0.00242 13 4XY 0.00256 0.00441 0.00328 0.00046 0.00141 14 4XZ -0.00526 0.00226 -0.00017 0.00180 -0.00440 15 4YZ -0.00161 -0.00322 -0.00206 0.00299 -0.00127 16 2 C 1S 0.00507 -0.00550 0.00359 0.00286 0.00757 17 2S -0.01141 0.01414 -0.00636 -0.00543 -0.01786 18 2PX 0.13937 -0.05784 -0.02319 0.09695 0.03636 19 2PY 0.00895 -0.25214 -0.05078 -0.04543 0.13690 20 2PZ -0.00564 -0.03636 -0.04376 0.17497 0.04408 21 3S -0.01391 0.00214 -0.02867 -0.01018 -0.01442 22 3PX 0.02279 -0.00886 -0.01100 0.07743 0.00918 23 3PY -0.01551 0.01116 -0.00793 -0.02395 -0.01807 24 3PZ 0.04179 -0.01017 -0.01897 0.07292 0.01603 25 4XX 0.00138 -0.00570 -0.00053 -0.00283 0.00530 26 4YY 0.00072 0.00023 -0.00091 0.00188 -0.00687 27 4ZZ -0.00052 -0.00497 -0.00039 0.00207 0.00743 28 4XY 0.00632 0.00128 0.00197 -0.00690 -0.00232 29 4XZ 0.00021 0.00116 0.00007 -0.00113 -0.00442 30 4YZ -0.00742 0.00083 0.00119 -0.00076 -0.00179 31 3 C 1S -0.01832 0.00503 -0.00583 -0.00391 0.00211 32 2S 0.03789 -0.00822 0.00709 0.00571 -0.00733 33 2PX -0.06698 0.06521 0.00987 0.12051 -0.02009 34 2PY 0.11799 -0.01069 -0.00654 -0.06470 -0.11723 35 2PZ 0.20368 -0.10312 -0.02541 -0.05498 -0.01356 36 3S 0.08495 -0.08069 0.04276 0.00221 0.00657 37 3PX -0.03041 0.04277 -0.00317 0.06063 -0.02318 38 3PY 0.01788 -0.04196 0.01121 -0.01507 -0.03407 39 3PZ 0.09101 -0.07075 -0.00253 -0.01679 0.01111 40 4XX -0.00369 -0.00211 -0.00081 -0.00780 0.00020 41 4YY 0.00367 0.00475 -0.00041 -0.00054 -0.00431 42 4ZZ -0.00674 -0.00003 -0.00026 0.00938 0.00493 43 4XY 0.00185 -0.00249 0.00103 -0.00025 -0.00286 44 4XZ 0.00282 0.00230 0.00113 -0.00193 -0.00452 45 4YZ -0.00217 0.00636 0.00252 0.00076 0.00061 46 4 C 1S -0.01832 -0.00503 0.00584 -0.00390 0.00211 47 2S 0.03788 0.00821 -0.00710 0.00570 -0.00733 48 2PX -0.06692 -0.06518 -0.01000 0.12047 -0.02015 49 2PY -0.11806 -0.01069 -0.00663 0.06477 0.11722 50 2PZ 0.20368 0.10310 0.02550 -0.05494 -0.01354 51 3S 0.08493 0.08069 -0.04276 0.00215 0.00655 52 3PX -0.03041 -0.04274 0.00310 0.06062 -0.02318 53 3PY -0.01792 -0.04198 0.01119 0.01514 0.03407 54 3PZ 0.09101 0.07073 0.00256 -0.01678 0.01110 55 4XX -0.00369 0.00211 0.00082 -0.00780 0.00020 56 4YY 0.00367 -0.00475 0.00041 -0.00054 -0.00431 57 4ZZ -0.00674 0.00003 0.00025 0.00938 0.00493 58 4XY -0.00185 -0.00248 0.00102 0.00024 0.00286 59 4XZ 0.00282 -0.00231 -0.00113 -0.00193 -0.00452 60 4YZ 0.00217 0.00635 0.00252 -0.00076 -0.00061 61 5 C 1S 0.00506 0.00550 -0.00360 0.00286 0.00757 62 2S -0.01139 -0.01414 0.00637 -0.00542 -0.01785 63 2PX 0.13938 0.05805 0.02314 0.09695 0.03651 64 2PY -0.00885 -0.25211 -0.05081 0.04553 -0.13685 65 2PZ -0.00563 0.03641 0.04356 0.17502 0.04411 66 3S -0.01389 -0.00214 0.02869 -0.01017 -0.01440 67 3PX 0.02278 0.00887 0.01093 0.07742 0.00919 68 3PY 0.01552 0.01117 -0.00795 0.02400 0.01807 69 3PZ 0.04179 0.01019 0.01889 0.07296 0.01605 70 4XX 0.00138 0.00570 0.00053 -0.00284 0.00530 71 4YY 0.00071 -0.00023 0.00091 0.00189 -0.00686 72 4ZZ -0.00052 0.00497 0.00039 0.00207 0.00743 73 4XY -0.00632 0.00128 0.00196 0.00690 0.00234 74 4XZ 0.00020 -0.00116 -0.00006 -0.00113 -0.00443 75 4YZ 0.00742 0.00083 0.00119 0.00076 0.00179 76 6 C 1S 0.01320 -0.00504 0.00227 -0.00904 0.00166 77 2S -0.03043 0.00955 -0.00442 0.02020 -0.00629 78 2PX -0.08360 0.07322 0.03908 0.15425 0.02464 79 2PY 0.12387 -0.00879 -0.00593 -0.04573 0.13158 80 2PZ 0.18158 -0.06796 -0.02965 0.02601 0.00741 81 3S -0.05609 0.07909 -0.00432 0.04232 0.01107 82 3PX -0.02325 0.05307 0.01993 0.07760 0.02663 83 3PY 0.01335 -0.04665 -0.00627 0.00014 0.03338 84 3PZ 0.07488 -0.04860 -0.00874 0.02206 -0.01155 85 4XX 0.00712 0.00228 0.00089 0.00202 0.00361 86 4YY -0.00326 -0.00515 -0.00093 0.00264 -0.00403 87 4ZZ 0.00193 0.00082 -0.00059 -0.00728 0.00242 88 4XY -0.00255 0.00442 0.00328 -0.00046 -0.00140 89 4XZ -0.00526 -0.00225 0.00017 0.00180 -0.00441 90 4YZ 0.00160 -0.00322 -0.00206 -0.00299 0.00126 91 7 H 1S 0.12246 0.04989 0.03209 -0.05231 0.04072 92 2S 0.10647 0.02005 0.02282 -0.04971 0.05177 93 8 H 1S -0.12804 0.06467 0.01885 0.07649 0.04414 94 2S -0.10477 0.03590 0.01319 0.05920 0.05659 95 9 H 1S -0.12806 -0.06463 -0.01895 0.07646 0.04414 96 2S -0.10478 -0.03587 -0.01327 0.05919 0.05658 97 10 H 1S 0.12244 -0.04989 -0.03203 -0.05232 0.04072 98 2S 0.10645 -0.02006 -0.02276 -0.04972 0.05177 99 11 O 1S -0.00816 0.05255 0.00804 0.00213 -0.02512 100 2S 0.01805 -0.11242 -0.01588 -0.00410 0.05109 101 2PX 0.06411 0.02215 -0.02044 0.12596 -0.00472 102 2PY -0.05180 0.32232 0.06583 -0.01731 -0.20529 103 2PZ 0.02937 0.01435 -0.03118 0.15046 0.01232 104 3S 0.02765 -0.20116 -0.03508 -0.01111 0.09881 105 3PX 0.03845 0.01145 -0.01515 0.07365 -0.00176 106 3PY -0.02910 0.17985 0.03827 -0.01169 -0.11673 107 3PZ 0.01413 0.00778 -0.02016 0.09013 0.00767 108 4XX 0.00176 -0.00144 -0.00073 0.00187 0.00105 109 4YY -0.00451 0.02105 0.00524 -0.00293 -0.01296 110 4ZZ 0.00048 -0.00130 -0.00029 0.00211 0.00111 111 4XY 0.00592 0.00214 -0.00104 0.00801 -0.00071 112 4XZ 0.00088 -0.00082 -0.00083 0.00232 -0.00024 113 4YZ 0.00081 0.00151 -0.00214 0.01102 0.00073 114 12 O 1S -0.00816 -0.05256 -0.00805 0.00213 -0.02512 115 2S 0.01804 0.11243 0.01588 -0.00411 0.05108 116 2PX 0.06408 -0.02236 0.02026 0.12601 -0.00483 117 2PY 0.05183 0.32234 0.06583 0.01739 0.20527 118 2PZ 0.02937 -0.01433 0.03101 0.15051 0.01236 119 3S 0.02764 0.20117 0.03509 -0.01112 0.09880 120 3PX 0.03843 -0.01157 0.01504 0.07368 -0.00182 121 3PY 0.02911 0.17986 0.03826 0.01174 0.11672 122 3PZ 0.01414 -0.00777 0.02006 0.09017 0.00770 123 4XX 0.00177 0.00143 0.00073 0.00188 0.00105 124 4YY -0.00452 -0.02105 -0.00524 -0.00294 -0.01296 125 4ZZ 0.00048 0.00130 0.00029 0.00211 0.00111 126 4XY -0.00592 0.00216 -0.00103 -0.00801 0.00072 127 4XZ 0.00088 0.00082 0.00083 0.00233 -0.00024 128 4YZ -0.00081 0.00151 -0.00212 -0.01102 -0.00073 129 13 C 1S -0.01021 0.00000 0.00000 0.00133 0.01886 130 2S 0.02007 0.00000 0.00001 -0.00711 -0.03950 131 2PX 0.07070 0.00004 -0.00014 0.16015 0.11381 132 2PY 0.00002 -0.00537 -0.08166 0.00000 0.00010 133 2PZ 0.01952 0.00001 -0.00002 0.09144 -0.12723 134 3S 0.03925 0.00001 -0.00001 0.02856 -0.09146 135 3PX 0.03510 0.00002 -0.00007 0.06636 0.07118 136 3PY 0.00001 -0.00567 -0.01191 0.00001 0.00006 137 3PZ -0.00348 0.00001 -0.00003 0.06870 -0.04790 138 4XX 0.00515 0.00000 -0.00001 0.01203 0.00034 139 4YY -0.00231 0.00000 0.00001 -0.00532 -0.00114 140 4ZZ -0.00289 0.00000 0.00000 -0.00470 0.00615 141 4XY 0.00000 -0.00042 0.00480 0.00001 0.00000 142 4XZ 0.00179 0.00000 0.00000 0.00412 0.00384 143 4YZ 0.00000 0.00211 -0.01068 -0.00001 0.00000 144 14 H 1S 0.05630 0.00002 -0.00011 0.11907 0.03210 145 2S 0.04167 0.00002 -0.00009 0.10114 0.02768 146 15 H 1S -0.01331 -0.00001 0.00001 -0.06102 0.06222 147 2S -0.03006 0.00000 0.00000 -0.03521 0.07283 148 16 C 1S 0.00518 0.00791 -0.02766 0.01395 0.00599 149 2S -0.01232 -0.01777 0.06441 -0.02756 -0.01537 150 2PX -0.01746 0.01913 -0.02946 -0.02681 -0.00640 151 2PY 0.00191 -0.03759 0.24756 0.02597 -0.11890 152 2PZ 0.01242 -0.04374 0.16324 0.06907 -0.00850 153 3S -0.00619 -0.02268 0.10834 -0.06548 -0.01437 154 3PX -0.01157 0.00998 -0.00268 -0.01684 0.00357 155 3PY 0.00718 -0.01423 0.09108 -0.01425 -0.03581 156 3PZ 0.01969 -0.02173 0.06021 0.02341 -0.02460 157 4XX 0.00428 -0.00020 -0.00022 0.00702 0.00062 158 4YY -0.00230 0.00275 -0.01587 -0.00603 0.00393 159 4ZZ -0.00147 -0.00007 0.00691 0.00103 -0.00059 160 4XY 0.00008 -0.00024 0.00400 0.00262 -0.00410 161 4XZ -0.00166 0.00063 -0.00142 0.00104 0.00036 162 4YZ -0.00182 -0.00091 0.00053 0.00048 0.01077 163 17 H 1S -0.01297 0.02360 -0.15273 -0.04608 0.07424 164 2S -0.00445 0.01647 -0.14684 -0.03749 0.07294 165 18 C 1S 0.00593 -0.00220 -0.01387 0.00453 -0.01474 166 2S -0.01526 0.00493 0.03717 -0.01520 0.03445 167 2PX -0.03233 -0.01561 0.07811 -0.01452 0.02463 168 2PY -0.05421 -0.01204 0.02039 -0.07628 0.25096 169 2PZ 0.00326 0.06839 -0.23242 -0.04263 -0.05918 170 3S -0.02053 0.00386 0.02097 0.00411 0.05285 171 3PX -0.01974 0.00149 0.01837 -0.01054 0.00765 172 3PY -0.01458 -0.00990 0.01380 -0.02356 0.07832 173 3PZ 0.00026 0.02077 -0.04571 -0.03068 -0.02386 174 4XX 0.00113 0.00000 -0.00027 0.00191 -0.00182 175 4YY -0.00201 0.00233 -0.01102 -0.00339 0.00687 176 4ZZ 0.00122 -0.00018 0.00406 0.00150 -0.01183 177 4XY -0.00051 0.00128 -0.00490 0.00017 -0.00238 178 4XZ 0.00107 -0.00098 -0.00016 0.00001 0.00514 179 4YZ -0.00054 -0.00480 0.01346 -0.00084 0.00580 180 19 H 1S 0.01955 0.04541 -0.12660 0.00670 -0.11772 181 2S 0.02089 0.03908 -0.12884 0.01792 -0.11156 182 20 C 1S 0.00518 -0.00790 0.02763 0.01399 0.00600 183 2S -0.01231 0.01776 -0.06436 -0.02764 -0.01538 184 2PX -0.01747 -0.01912 0.02940 -0.02677 -0.00641 185 2PY -0.00193 -0.03761 0.24761 -0.02568 0.11888 186 2PZ 0.01243 0.04376 -0.16336 0.06884 -0.00855 187 3S -0.00618 0.02266 -0.10823 -0.06563 -0.01441 188 3PX -0.01157 -0.00998 0.00265 -0.01685 0.00357 189 3PY -0.00720 -0.01423 0.09107 0.01436 0.03583 190 3PZ 0.01969 0.02173 -0.06025 0.02332 -0.02462 191 4XX 0.00428 0.00021 0.00020 0.00702 0.00062 192 4YY -0.00230 -0.00275 0.01589 -0.00601 0.00394 193 4ZZ -0.00147 0.00007 -0.00691 0.00103 -0.00059 194 4XY -0.00008 -0.00024 0.00400 -0.00260 0.00410 195 4XZ -0.00166 -0.00063 0.00142 0.00104 0.00037 196 4YZ 0.00181 -0.00091 0.00055 -0.00048 -0.01077 197 21 H 1S -0.01297 -0.02361 0.15279 -0.04589 0.07424 198 2S -0.00445 -0.01649 0.14690 -0.03731 0.07292 199 22 C 1S 0.00593 0.00220 0.01388 0.00454 -0.01474 200 2S -0.01526 -0.00493 -0.03718 -0.01524 0.03444 201 2PX -0.03236 0.01561 -0.07809 -0.01467 0.02477 202 2PY 0.05419 -0.01201 0.02021 0.07631 -0.25093 203 2PZ 0.00326 -0.06842 0.23257 -0.04230 -0.05914 204 3S -0.02054 -0.00385 -0.02100 0.00411 0.05290 205 3PX -0.01975 -0.00149 -0.01836 -0.01058 0.00770 206 3PY 0.01457 -0.00989 0.01375 0.02358 -0.07833 207 3PZ 0.00026 -0.02078 0.04578 -0.03062 -0.02387 208 4XX 0.00113 0.00000 0.00028 0.00191 -0.00183 209 4YY -0.00201 -0.00233 0.01102 -0.00338 0.00687 210 4ZZ 0.00122 0.00018 -0.00406 0.00149 -0.01183 211 4XY 0.00052 0.00129 -0.00491 -0.00018 0.00237 212 4XZ 0.00107 0.00098 0.00015 0.00001 0.00514 213 4YZ 0.00053 -0.00480 0.01346 0.00086 -0.00579 214 23 H 1S 0.01954 -0.04542 0.12662 0.00688 -0.11767 215 2S 0.02088 -0.03909 0.12886 0.01810 -0.11150 36 37 38 39 40 O O O O O Eigenvalues -- -0.39570 -0.39320 -0.39082 -0.37876 -0.37212 1 1 C 1S -0.00070 -0.00635 -0.00179 -0.01373 0.00669 2 2S 0.00084 0.01228 0.00824 0.02263 -0.01124 3 2PX 0.03035 -0.04539 0.00196 -0.10650 0.04520 4 2PY -0.01082 -0.01006 0.13914 -0.00796 0.00294 5 2PZ 0.01572 0.11981 0.02154 0.06955 -0.07246 6 3S 0.00324 0.00880 -0.01611 0.10478 -0.04160 7 3PX 0.01912 -0.01755 -0.01580 -0.04581 0.01406 8 3PY -0.00268 0.01284 0.03420 0.06427 -0.02751 9 3PZ 0.00873 0.06607 0.02801 0.01915 -0.03732 10 4XX 0.00093 0.00390 -0.00264 -0.00128 -0.00211 11 4YY -0.00021 0.00088 0.00521 -0.00279 0.00136 12 4ZZ -0.00102 -0.00337 -0.00434 0.00437 -0.00019 13 4XY 0.00035 0.00324 -0.00093 0.01100 -0.00432 14 4XZ -0.00052 -0.00199 0.00436 -0.00299 0.00226 15 4YZ 0.00045 -0.01094 0.00225 -0.00702 0.00714 16 2 C 1S -0.00074 0.00397 -0.00441 -0.00167 0.00440 17 2S 0.00426 -0.01102 0.01083 0.00598 -0.01105 18 2PX 0.03374 0.21530 -0.00752 -0.00245 -0.11838 19 2PY 0.00776 -0.08042 -0.16749 0.03492 -0.00408 20 2PZ 0.03338 0.05063 0.01063 -0.23106 0.06113 21 3S -0.01375 -0.00460 -0.00428 -0.01635 -0.01711 22 3PX 0.01054 0.09158 0.01279 -0.04361 -0.03981 23 3PY -0.00080 -0.01087 0.02486 -0.00309 -0.00476 24 3PZ 0.01902 0.06148 0.01600 -0.08394 0.01294 25 4XX -0.00011 -0.00219 -0.00729 0.00139 0.00152 26 4YY 0.00013 0.00325 0.01008 -0.00280 -0.00139 27 4ZZ 0.00086 -0.00245 -0.00910 0.00126 -0.00001 28 4XY -0.00124 -0.00747 0.00195 0.00418 0.00239 29 4XZ -0.00105 -0.00062 0.00477 0.00170 0.00014 30 4YZ -0.00076 -0.00585 -0.00067 0.00868 -0.00019 31 3 C 1S -0.00226 0.00775 -0.00845 0.01389 -0.00832 32 2S 0.00411 -0.01031 0.02379 -0.02396 0.01425 33 2PX 0.02050 -0.00119 0.02783 -0.11534 0.05773 34 2PY -0.01544 -0.00312 0.18682 0.00896 -0.00650 35 2PZ 0.01832 0.09541 0.03200 0.07250 -0.09358 36 3S 0.02015 -0.07148 0.00366 -0.06138 0.03832 37 3PX 0.01014 0.00014 0.02712 -0.08326 0.01566 38 3PY -0.01586 -0.05486 0.05144 -0.04236 0.01535 39 3PZ 0.00961 0.03335 -0.00334 0.03857 -0.02858 40 4XX 0.00060 -0.00357 -0.00499 0.00409 -0.00246 41 4YY 0.00021 0.00331 0.00760 0.00182 -0.00127 42 4ZZ -0.00013 0.00065 -0.00560 -0.00679 0.00345 43 4XY 0.00010 0.00073 0.00081 0.00938 -0.00567 44 4XZ -0.00061 0.00213 0.00386 0.00081 -0.00068 45 4YZ 0.00050 -0.00989 -0.00177 -0.00614 0.00786 46 4 C 1S -0.00226 -0.00777 -0.00842 -0.01390 0.00833 47 2S 0.00411 0.01037 0.02376 0.02397 -0.01426 48 2PX 0.02049 0.00130 0.02790 0.11536 -0.05773 49 2PY 0.01545 -0.00362 -0.18680 0.00899 -0.00655 50 2PZ 0.01836 -0.09531 0.03229 -0.07248 0.09359 51 3S 0.02014 0.07149 0.00346 0.06140 -0.03833 52 3PX 0.01013 -0.00001 0.02711 0.08331 -0.01567 53 3PY 0.01588 -0.05499 -0.05126 -0.04232 0.01533 54 3PZ 0.00962 -0.03337 -0.00323 -0.03857 0.02858 55 4XX 0.00060 0.00356 -0.00500 -0.00410 0.00247 56 4YY 0.00022 -0.00329 0.00761 -0.00181 0.00126 57 4ZZ -0.00013 -0.00067 -0.00560 0.00679 -0.00345 58 4XY -0.00010 0.00073 -0.00082 0.00937 -0.00567 59 4XZ -0.00061 -0.00211 0.00386 -0.00080 0.00068 60 4YZ -0.00049 -0.00989 0.00180 -0.00614 0.00786 61 5 C 1S -0.00073 -0.00399 -0.00440 0.00167 -0.00440 62 2S 0.00426 0.01105 0.01080 -0.00598 0.01105 63 2PX 0.03383 -0.21524 -0.00699 0.00239 0.11836 64 2PY -0.00769 -0.08010 0.16769 0.03497 -0.00401 65 2PZ 0.03338 -0.05058 0.01073 0.23105 -0.06116 66 3S -0.01376 0.00459 -0.00431 0.01634 0.01711 67 3PX 0.01058 -0.09151 0.01307 0.04360 0.03980 68 3PY 0.00081 -0.01100 -0.02481 -0.00306 -0.00473 69 3PZ 0.01903 -0.06142 0.01617 0.08394 -0.01296 70 4XX -0.00012 0.00218 -0.00729 -0.00139 -0.00152 71 4YY 0.00013 -0.00324 0.01009 0.00281 0.00140 72 4ZZ 0.00086 0.00243 -0.00911 -0.00126 0.00001 73 4XY 0.00124 -0.00747 -0.00194 0.00417 0.00238 74 4XZ -0.00105 0.00063 0.00477 -0.00170 -0.00014 75 4YZ 0.00076 -0.00585 0.00069 0.00868 -0.00019 76 6 C 1S -0.00071 0.00635 -0.00181 0.01373 -0.00669 77 2S 0.00085 -0.01225 0.00828 -0.02263 0.01124 78 2PX 0.03031 0.04542 0.00190 0.10649 -0.04523 79 2PY 0.01084 -0.01040 -0.13911 -0.00793 0.00292 80 2PZ 0.01578 -0.11974 0.02190 -0.06957 0.07244 81 3S 0.00325 -0.00885 -0.01604 -0.10478 0.04160 82 3PX 0.01910 0.01751 -0.01583 0.04575 -0.01405 83 3PY 0.00269 0.01276 -0.03428 0.06429 -0.02752 84 3PZ 0.00876 -0.06598 0.02820 -0.01915 0.03730 85 4XX 0.00093 -0.00391 -0.00263 0.00126 0.00211 86 4YY -0.00021 -0.00086 0.00521 0.00281 -0.00137 87 4ZZ -0.00102 0.00336 -0.00434 -0.00437 0.00019 88 4XY -0.00035 0.00324 0.00091 0.01100 -0.00432 89 4XZ -0.00052 0.00201 0.00435 0.00299 -0.00226 90 4YZ -0.00045 -0.01095 -0.00221 -0.00702 0.00714 91 7 H 1S -0.00020 0.08190 -0.04247 0.09569 -0.06217 92 2S 0.00210 0.06757 -0.05641 0.08872 -0.05716 93 8 H 1S 0.00060 -0.06192 -0.06247 -0.08900 0.07936 94 2S -0.00516 -0.06364 -0.06878 -0.07026 0.07282 95 9 H 1S 0.00058 0.06175 -0.06269 0.08898 -0.07937 96 2S -0.00519 0.06345 -0.06898 0.07023 -0.07283 97 10 H 1S -0.00015 -0.08202 -0.04221 -0.09570 0.06217 98 2S 0.00214 -0.06773 -0.05618 -0.08874 0.05716 99 11 O 1S -0.00210 0.00668 0.02537 -0.00062 0.00139 100 2S 0.00270 -0.01507 -0.05347 0.00195 -0.00274 101 2PX 0.03261 0.23296 0.04612 -0.03936 -0.11328 102 2PY -0.02321 0.00901 0.22004 0.01620 0.01577 103 2PZ 0.02995 0.09294 0.05100 -0.25260 0.05112 104 3S 0.01547 -0.02186 -0.08803 -0.00290 -0.00801 105 3PX 0.02181 0.14505 0.02730 -0.02491 -0.07085 106 3PY -0.01087 0.00326 0.12988 0.01002 0.00819 107 3PZ 0.01797 0.05685 0.03060 -0.15987 0.03101 108 4XX 0.00004 0.00354 -0.00128 -0.00004 -0.00130 109 4YY -0.00226 -0.00222 0.01218 0.00290 0.00153 110 4ZZ -0.00017 0.00037 -0.00172 -0.00251 0.00060 111 4XY 0.00235 0.01585 0.00330 -0.00234 -0.00768 112 4XZ 0.00039 0.00231 0.00110 -0.00263 -0.00023 113 4YZ 0.00206 0.00586 0.00347 -0.01689 0.00347 114 12 O 1S -0.00209 -0.00660 0.02538 0.00063 -0.00139 115 2S 0.00269 0.01491 -0.05349 -0.00196 0.00275 116 2PX 0.03268 -0.23281 0.04697 0.03933 0.11324 117 2PY 0.02321 0.00821 -0.21999 0.01617 0.01585 118 2PZ 0.02998 -0.09279 0.05124 0.25261 -0.05116 119 3S 0.01545 0.02160 -0.08807 0.00288 0.00801 120 3PX 0.02186 -0.14496 0.02783 0.02489 0.07082 121 3PY 0.01087 0.00279 -0.12984 0.01001 0.00824 122 3PZ 0.01799 -0.05676 0.03075 0.15987 -0.03103 123 4XX 0.00005 -0.00356 -0.00127 0.00004 0.00131 124 4YY -0.00226 0.00228 0.01217 -0.00290 -0.00153 125 4ZZ -0.00017 -0.00038 -0.00172 0.00251 -0.00060 126 4XY -0.00235 0.01584 -0.00336 -0.00233 -0.00768 127 4XZ 0.00039 -0.00231 0.00110 0.00264 0.00023 128 4YZ -0.00206 0.00585 -0.00349 -0.01688 0.00347 129 13 C 1S -0.00244 0.00003 0.01935 0.00000 -0.00001 130 2S 0.01144 -0.00005 -0.04020 0.00000 0.00001 131 2PX -0.12521 0.00011 0.11935 -0.00002 -0.00013 132 2PY -0.00007 0.14702 -0.00013 0.11686 0.32378 133 2PZ 0.28986 -0.00004 -0.08529 0.00003 0.00005 134 3S 0.00733 -0.00016 -0.11013 0.00000 0.00003 135 3PX -0.05734 0.00008 0.06967 -0.00001 -0.00007 136 3PY -0.00003 0.06499 -0.00005 0.06164 0.17525 137 3PZ 0.12528 -0.00005 -0.05543 0.00001 0.00002 138 4XX -0.00084 0.00001 0.00242 0.00001 0.00001 139 4YY 0.01603 0.00000 -0.00029 0.00000 -0.00001 140 4ZZ -0.02091 0.00000 0.00156 0.00000 0.00000 141 4XY -0.00001 -0.00268 0.00000 -0.00580 -0.00774 142 4XZ -0.00066 0.00001 0.00534 0.00000 0.00000 143 4YZ 0.00000 0.00389 0.00000 0.00256 0.00945 144 14 H 1S -0.02854 0.00007 0.04531 0.00002 0.00000 145 2S -0.02431 0.00007 0.04786 0.00002 0.00000 146 15 H 1S -0.19430 0.00000 0.02952 -0.00001 -0.00001 147 2S -0.17436 0.00000 0.02728 -0.00001 -0.00002 148 16 C 1S -0.00987 -0.00148 0.00242 -0.00167 -0.00042 149 2S 0.01766 -0.00408 -0.01281 -0.00076 -0.00421 150 2PX 0.11957 -0.08419 0.00837 0.00473 -0.12702 151 2PY 0.01253 -0.06589 -0.12559 -0.11299 -0.17502 152 2PZ -0.22784 0.06395 -0.01635 0.05672 0.15602 153 3S 0.05279 0.03113 0.02780 0.03268 0.03758 154 3PX 0.04767 -0.05805 0.01426 0.00761 -0.05369 155 3PY 0.00834 -0.01358 -0.01438 -0.02066 -0.04643 156 3PZ -0.07679 0.04227 -0.00526 0.04268 0.06167 157 4XX 0.00018 -0.00030 0.00026 -0.00401 -0.00530 158 4YY 0.01290 0.00166 0.00387 0.00617 0.00723 159 4ZZ -0.01279 -0.00220 -0.00230 -0.00205 -0.00049 160 4XY 0.00411 -0.00292 -0.00485 -0.00335 -0.00693 161 4XZ 0.00422 0.00112 -0.00001 0.00027 0.00382 162 4YZ -0.00202 0.00387 0.00834 0.00359 0.00809 163 17 H 1S 0.05785 0.02739 0.08220 0.06834 0.08348 164 2S 0.05095 0.03686 0.08008 0.06584 0.07952 165 18 C 1S 0.01549 0.01052 -0.01077 0.00456 0.00792 166 2S -0.03475 -0.01893 0.02732 -0.00538 -0.00792 167 2PX -0.01180 -0.00155 0.02090 0.02043 0.02221 168 2PY 0.15117 0.01234 0.20555 -0.00505 -0.00137 169 2PZ 0.20465 -0.07676 -0.02501 -0.01880 -0.12809 170 3S -0.05544 -0.07412 0.02108 -0.06145 -0.09174 171 3PX -0.00145 -0.01216 0.00360 0.00507 -0.00136 172 3PY 0.06686 -0.00656 0.06555 -0.01957 -0.04502 173 3PZ 0.08681 -0.01484 0.00342 0.02191 -0.01836 174 4XX 0.00278 0.00056 -0.00100 0.00005 -0.00047 175 4YY 0.00329 0.00028 0.00625 0.00257 0.00190 176 4ZZ -0.00236 -0.00145 -0.01060 -0.00231 -0.00233 177 4XY 0.00173 -0.00062 -0.00223 -0.00231 -0.00309 178 4XZ -0.00248 0.00358 0.00452 0.00034 0.00442 179 4YZ -0.00086 0.00748 0.00544 0.00363 0.01342 180 19 H 1S 0.02882 -0.05943 -0.08932 -0.02165 -0.09111 181 2S 0.03415 -0.04937 -0.09341 -0.03474 -0.10366 182 20 C 1S -0.00988 0.00149 0.00242 0.00167 0.00042 183 2S 0.01768 0.00404 -0.01283 0.00076 0.00421 184 2PX 0.11956 0.08429 0.00810 -0.00468 0.12709 185 2PY -0.01248 -0.06548 0.12577 -0.11298 -0.17498 186 2PZ -0.22776 -0.06410 -0.01618 -0.05675 -0.15604 187 3S 0.05285 -0.03104 0.02788 -0.03267 -0.03757 188 3PX 0.04766 0.05811 0.01410 -0.00760 0.05370 189 3PY -0.00832 -0.01350 0.01442 -0.02065 -0.04642 190 3PZ -0.07675 -0.04232 -0.00514 -0.04268 -0.06167 191 4XX 0.00019 0.00030 0.00026 0.00401 0.00531 192 4YY 0.01289 -0.00165 0.00388 -0.00617 -0.00724 193 4ZZ -0.01279 0.00219 -0.00231 0.00205 0.00049 194 4XY -0.00412 -0.00291 0.00486 -0.00334 -0.00693 195 4XZ 0.00421 -0.00112 0.00000 -0.00027 -0.00382 196 4YZ 0.00203 0.00385 -0.00834 0.00359 0.00809 197 21 H 1S 0.05780 -0.02713 0.08227 -0.06835 -0.08352 198 2S 0.05090 -0.03661 0.08020 -0.06584 -0.07957 199 22 C 1S 0.01549 -0.01054 -0.01074 -0.00456 -0.00791 200 2S -0.03474 0.01899 0.02727 0.00538 0.00790 201 2PX -0.01167 0.00159 0.02101 -0.02042 -0.02223 202 2PY -0.15122 0.01167 -0.20557 -0.00504 -0.00128 203 2PZ 0.20452 0.07676 -0.02522 0.01881 0.12810 204 3S -0.05544 0.07415 0.02087 0.06144 0.09172 205 3PX -0.00139 0.01216 0.00360 -0.00506 0.00138 206 3PY -0.06689 -0.00677 -0.06554 -0.01956 -0.04497 207 3PZ 0.08678 0.01488 0.00338 -0.02191 0.01835 208 4XX 0.00278 -0.00056 -0.00100 -0.00004 0.00047 209 4YY 0.00328 -0.00026 0.00625 -0.00258 -0.00191 210 4ZZ -0.00236 0.00143 -0.01061 0.00231 0.00234 211 4XY -0.00173 -0.00061 0.00222 -0.00231 -0.00309 212 4XZ -0.00249 -0.00357 0.00453 -0.00035 -0.00443 213 4YZ 0.00085 0.00747 -0.00545 0.00363 0.01342 214 23 H 1S 0.02876 0.05918 -0.08947 0.02166 0.09117 215 2S 0.03409 0.04911 -0.09353 0.03475 0.10372 41 42 43 44 45 O O O O O Eigenvalues -- -0.32852 -0.28686 -0.25806 -0.25400 -0.25142 1 1 C 1S -0.00034 -0.00098 0.02012 0.01395 -0.01028 2 2S 0.00656 -0.00039 -0.04410 -0.03357 0.01612 3 2PX 0.03924 0.26644 -0.05717 -0.04243 0.01795 4 2PY -0.00001 -0.01738 0.02525 0.09595 -0.10389 5 2PZ 0.04154 0.22967 0.06360 0.05851 -0.06371 6 3S -0.01945 0.01741 -0.12860 -0.08627 0.08567 7 3PX 0.01401 0.18710 -0.03317 -0.02350 0.01669 8 3PY -0.00062 -0.01115 -0.01978 0.04893 -0.04478 9 3PZ 0.02655 0.16198 0.02692 0.03552 -0.04434 10 4XX 0.00056 0.00099 0.00115 -0.00169 -0.00001 11 4YY 0.00105 -0.00067 0.00163 0.00160 -0.00346 12 4ZZ -0.00038 -0.00045 -0.00014 -0.00065 0.00218 13 4XY 0.00013 0.01231 0.00465 -0.00102 -0.00036 14 4XZ -0.00164 -0.00031 0.00087 0.00195 -0.00069 15 4YZ 0.00003 0.01061 -0.00394 0.00095 -0.00341 16 2 C 1S -0.00648 0.00003 0.00636 0.00086 0.00234 17 2S 0.01638 0.00175 -0.01947 -0.00748 -0.01073 18 2PX 0.07321 -0.03287 0.02588 0.02497 -0.03925 19 2PY 0.00030 0.00033 -0.02095 -0.00754 -0.00754 20 2PZ 0.04259 -0.02609 -0.04499 -0.03709 0.02639 21 3S 0.01133 -0.00557 -0.00211 0.01512 0.01400 22 3PX 0.03885 -0.02216 -0.00570 -0.01910 0.03655 23 3PY 0.03026 -0.00074 -0.01804 -0.00287 -0.00547 24 3PZ 0.03378 -0.02795 -0.00879 0.02840 -0.03231 25 4XX -0.00750 -0.00945 0.00881 -0.00505 -0.01009 26 4YY 0.00395 -0.00171 -0.00278 0.00345 0.00448 27 4ZZ 0.00210 0.01147 -0.00642 0.00064 0.00498 28 4XY -0.00656 0.01266 0.01939 0.00736 -0.02257 29 4XZ -0.00269 0.00422 0.00353 -0.00018 0.00075 30 4YZ -0.00764 0.01235 -0.00588 -0.02379 0.00853 31 3 C 1S -0.00114 0.00538 -0.01711 0.00136 0.02259 32 2S 0.00995 -0.01227 0.02620 -0.00005 -0.04226 33 2PX -0.10176 -0.05830 0.04364 -0.23206 -0.08972 34 2PY 0.04679 0.02915 -0.00924 -0.03799 0.14409 35 2PZ -0.04382 -0.05586 0.15140 -0.09938 -0.15434 36 3S -0.01624 -0.02831 0.16207 0.00853 -0.14820 37 3PX -0.05402 -0.03573 0.05109 -0.17302 -0.07544 38 3PY 0.01599 0.02078 0.04323 -0.00280 0.08769 39 3PZ -0.04909 -0.02272 0.10514 -0.08220 -0.11510 40 4XX -0.00109 -0.00051 0.00382 0.00280 0.00059 41 4YY 0.00247 -0.00055 -0.00283 -0.00266 0.00338 42 4ZZ -0.00189 0.00099 -0.00215 0.00105 -0.00100 43 4XY -0.00248 -0.00087 -0.00243 -0.00866 -0.00495 44 4XZ -0.00395 0.00001 0.00607 0.00096 0.00265 45 4YZ -0.00351 -0.00023 -0.01037 -0.00394 -0.00476 46 4 C 1S -0.00113 0.00539 0.01716 0.00134 0.02256 47 2S 0.00994 -0.01228 -0.02628 -0.00001 -0.04220 48 2PX -0.10175 -0.05828 -0.04405 -0.23205 -0.08962 49 2PY -0.04685 -0.02919 -0.00942 0.03790 -0.14409 50 2PZ -0.04386 -0.05589 -0.15177 -0.09917 -0.15410 51 3S -0.01627 -0.02825 -0.16230 0.00876 -0.14787 52 3PX -0.05401 -0.03574 -0.05144 -0.17296 -0.07533 53 3PY -0.01601 -0.02084 0.04307 0.00265 -0.08781 54 3PZ -0.04912 -0.02270 -0.10541 -0.08207 -0.11494 55 4XX -0.00109 -0.00051 -0.00382 0.00280 0.00059 56 4YY 0.00247 -0.00055 0.00283 -0.00266 0.00338 57 4ZZ -0.00189 0.00099 0.00215 0.00104 -0.00100 58 4XY 0.00247 0.00087 -0.00241 0.00867 0.00495 59 4XZ -0.00395 0.00001 -0.00606 0.00097 0.00266 60 4YZ 0.00351 0.00022 -0.01036 0.00395 0.00478 61 5 C 1S -0.00648 0.00003 -0.00635 0.00086 0.00235 62 2S 0.01638 0.00175 0.01944 -0.00750 -0.01076 63 2PX 0.07321 -0.03287 -0.02588 0.02503 -0.03916 64 2PY -0.00025 -0.00035 -0.02096 0.00758 0.00753 65 2PZ 0.04260 -0.02607 0.04498 -0.03717 0.02628 66 3S 0.01135 -0.00562 0.00215 0.01514 0.01401 67 3PX 0.03887 -0.02217 0.00575 -0.01911 0.03655 68 3PY -0.03024 0.00075 -0.01801 0.00286 0.00552 69 3PZ 0.03379 -0.02794 0.00878 0.02839 -0.03232 70 4XX -0.00750 -0.00943 -0.00886 -0.00502 -0.01011 71 4YY 0.00396 -0.00173 0.00281 0.00344 0.00451 72 4ZZ 0.00210 0.01147 0.00642 0.00063 0.00497 73 4XY 0.00655 -0.01266 0.01941 -0.00740 0.02252 74 4XZ -0.00270 0.00423 -0.00352 -0.00019 0.00076 75 4YZ 0.00764 -0.01235 -0.00586 0.02380 -0.00850 76 6 C 1S -0.00034 -0.00098 -0.02012 0.01398 -0.01023 77 2S 0.00656 -0.00038 0.04408 -0.03365 0.01602 78 2PX 0.03925 0.26644 0.05710 -0.04246 0.01775 79 2PY 0.00004 0.01755 0.02533 -0.09603 0.10385 80 2PZ 0.04153 0.22967 -0.06365 0.05861 -0.06356 81 3S -0.01947 0.01746 0.12862 -0.08654 0.08533 82 3PX 0.01401 0.18711 0.03316 -0.02354 0.01658 83 3PY 0.00064 0.01126 -0.01975 -0.04889 0.04485 84 3PZ 0.02655 0.16197 -0.02697 0.03557 -0.04427 85 4XX 0.00056 0.00100 -0.00116 -0.00169 -0.00001 86 4YY 0.00105 -0.00068 -0.00163 0.00160 -0.00346 87 4ZZ -0.00038 -0.00045 0.00015 -0.00065 0.00218 88 4XY -0.00013 -0.01231 0.00466 0.00100 0.00035 89 4XZ -0.00164 -0.00031 -0.00086 0.00195 -0.00070 90 4YZ -0.00003 -0.01062 -0.00393 -0.00094 0.00342 91 7 H 1S 0.00492 0.00160 0.03068 -0.01159 0.01674 92 2S 0.00482 -0.00130 0.05643 0.01189 0.00015 93 8 H 1S -0.01027 0.00260 -0.07384 0.01152 -0.01199 94 2S -0.01318 0.01978 -0.09727 -0.00421 0.01397 95 9 H 1S -0.01025 0.00262 0.07384 0.01143 -0.01211 96 2S -0.01317 0.01981 0.09729 -0.00436 0.01379 97 10 H 1S 0.00491 0.00160 -0.03067 -0.01154 0.01681 98 2S 0.00481 -0.00130 -0.05641 0.01199 0.00028 99 11 O 1S -0.00143 -0.00014 0.00032 0.00012 0.00047 100 2S -0.00240 0.00270 0.00305 0.00198 0.00056 101 2PX 0.13323 -0.13454 -0.24215 -0.09983 0.30932 102 2PY -0.02415 0.04749 0.04022 -0.00289 -0.02054 103 2PZ 0.10008 -0.15713 0.05806 0.28912 -0.15080 104 3S 0.03383 -0.00596 -0.01804 -0.00913 -0.00976 105 3PX 0.09121 -0.09731 -0.17654 -0.06845 0.22320 106 3PY -0.00647 0.03136 0.02241 -0.00716 -0.01975 107 3PZ 0.06861 -0.11149 0.04134 0.20932 -0.10365 108 4XX -0.00093 -0.00230 -0.00038 -0.00067 0.00288 109 4YY -0.00375 0.00385 0.00323 -0.00028 -0.00149 110 4ZZ -0.00087 0.00035 0.00060 0.00296 0.00004 111 4XY 0.00787 -0.00654 -0.00927 -0.00283 0.01110 112 4XZ 0.00153 -0.00151 -0.00044 0.00166 0.00069 113 4YZ 0.00558 -0.00750 0.00109 0.01054 -0.00478 114 12 O 1S -0.00143 -0.00014 -0.00032 0.00012 0.00047 115 2S -0.00240 0.00270 -0.00305 0.00198 0.00056 116 2PX 0.13322 -0.13447 0.24246 -0.10023 0.30885 117 2PY 0.02426 -0.04759 0.04044 0.00278 0.02071 118 2PZ 0.10010 -0.15712 -0.05790 0.28929 -0.15053 119 3S 0.03384 -0.00597 0.01800 -0.00915 -0.00979 120 3PX 0.09121 -0.09727 0.17677 -0.06874 0.22285 121 3PY 0.00655 -0.03143 0.02259 0.00708 0.01988 122 3PZ 0.06862 -0.11148 -0.04121 0.20944 -0.10346 123 4XX -0.00092 -0.00231 0.00040 -0.00067 0.00289 124 4YY -0.00376 0.00386 -0.00325 -0.00027 -0.00150 125 4ZZ -0.00087 0.00035 -0.00060 0.00296 0.00004 126 4XY -0.00787 0.00653 -0.00928 0.00284 -0.01108 127 4XZ 0.00154 -0.00151 0.00044 0.00167 0.00069 128 4YZ -0.00558 0.00750 0.00109 -0.01054 0.00478 129 13 C 1S -0.00400 -0.00243 -0.00002 -0.01677 -0.01212 130 2S -0.00127 0.01049 0.00006 0.04641 0.02765 131 2PX -0.17464 -0.03315 -0.00005 -0.05318 -0.02976 132 2PY -0.00002 0.00000 -0.00131 -0.00001 -0.00001 133 2PZ -0.11335 -0.00666 0.00004 0.01729 0.02637 134 3S 0.07664 -0.00942 0.00006 0.04223 0.05213 135 3PX -0.11273 -0.01234 0.00001 0.01283 0.00528 136 3PY -0.00002 0.00000 0.01436 0.00001 -0.00001 137 3PZ -0.00270 -0.01692 -0.00001 -0.01566 -0.00436 138 4XX -0.02232 -0.00394 -0.00001 -0.00502 -0.00268 139 4YY 0.00294 0.00205 0.00001 0.00431 0.00267 140 4ZZ 0.01701 0.00245 0.00000 -0.00001 -0.00236 141 4XY -0.00001 0.00000 0.01160 -0.00001 -0.00001 142 4XZ -0.00519 -0.00130 -0.00001 -0.00435 -0.00240 143 4YZ 0.00000 0.00000 0.00720 0.00000 0.00000 144 14 H 1S -0.15828 -0.02755 -0.00002 -0.02920 -0.01135 145 2S -0.15897 -0.03703 -0.00007 -0.07548 -0.04154 146 15 H 1S 0.10720 0.01276 -0.00001 0.00294 -0.00811 147 2S 0.13435 0.00792 -0.00004 -0.01919 -0.03186 148 16 C 1S 0.00127 -0.00431 -0.01456 -0.01222 -0.00825 149 2S 0.00747 0.01364 0.03062 0.02542 0.01872 150 2PX 0.13527 0.03098 -0.21980 0.00970 0.00851 151 2PY 0.01291 -0.00353 0.04122 0.01482 0.00798 152 2PZ 0.06200 0.00586 -0.13127 -0.02195 -0.01071 153 3S -0.06675 0.00915 0.04834 0.06979 0.02987 154 3PX 0.07221 0.04172 -0.15276 0.00161 -0.00711 155 3PY -0.04082 0.00045 -0.01029 0.01743 0.02177 156 3PZ 0.03346 0.00470 -0.11930 -0.01191 0.00416 157 4XX -0.00927 -0.00238 0.00502 -0.00422 -0.00372 158 4YY -0.00041 0.00225 -0.00220 0.00503 0.00446 159 4ZZ 0.00842 0.00030 -0.00345 -0.00530 -0.00442 160 4XY 0.00316 0.00017 -0.00056 0.00011 -0.00078 161 4XZ 0.00638 -0.00218 -0.00333 -0.01053 -0.00944 162 4YZ -0.00089 0.00005 -0.00219 -0.00018 0.00002 163 17 H 1S -0.00613 0.01259 -0.02139 0.01641 0.01649 164 2S -0.01261 0.00090 -0.06661 0.01065 0.04453 165 18 C 1S -0.00615 0.00206 0.00457 0.00182 0.00127 166 2S 0.01291 -0.01098 -0.01857 0.00174 0.00377 167 2PX 0.24940 -0.01708 -0.13567 -0.17051 -0.16161 168 2PY -0.03650 -0.00216 0.01399 0.01396 0.01295 169 2PZ 0.04345 -0.01926 -0.00448 -0.04960 -0.05138 170 3S 0.03072 0.00252 0.07124 -0.03241 -0.03260 171 3PX 0.15936 -0.02919 -0.08870 -0.12401 -0.11862 172 3PY -0.01229 0.00605 0.04365 0.01005 0.00728 173 3PZ 0.01912 -0.01699 -0.05354 -0.03290 -0.02822 174 4XX 0.00160 0.00136 -0.00361 -0.00060 -0.00022 175 4YY -0.00021 -0.00120 -0.00049 0.00103 0.00120 176 4ZZ -0.00185 -0.00169 0.00514 0.00175 0.00101 177 4XY 0.00806 -0.00135 0.00882 -0.00643 -0.00634 178 4XZ -0.00690 -0.00099 0.00688 -0.00120 -0.00117 179 4YZ 0.00218 -0.00014 -0.00075 -0.00298 -0.00273 180 19 H 1S -0.00342 -0.00807 0.01986 0.00570 0.00379 181 2S 0.01129 0.00374 0.03732 0.01306 0.00641 182 20 C 1S 0.00128 -0.00431 0.01454 -0.01224 -0.00827 183 2S 0.00748 0.01363 -0.03058 0.02545 0.01876 184 2PX 0.13534 0.03101 0.21978 0.00947 0.00824 185 2PY -0.01290 0.00353 0.04127 -0.01486 -0.00802 186 2PZ 0.06203 0.00587 0.13123 -0.02211 -0.01089 187 3S -0.06675 0.00913 -0.04822 0.06985 0.02993 188 3PX 0.07222 0.04174 0.15273 0.00145 -0.00728 189 3PY 0.04083 -0.00042 -0.01031 -0.01741 -0.02173 190 3PZ 0.03348 0.00470 0.11929 -0.01205 0.00398 191 4XX -0.00926 -0.00238 -0.00503 -0.00421 -0.00372 192 4YY -0.00042 0.00225 0.00221 0.00503 0.00446 193 4ZZ 0.00843 0.00030 0.00343 -0.00531 -0.00443 194 4XY -0.00317 -0.00017 -0.00056 -0.00011 0.00077 195 4XZ 0.00638 -0.00218 0.00330 -0.01054 -0.00945 196 4YZ 0.00089 -0.00005 -0.00219 0.00018 -0.00002 197 21 H 1S -0.00615 0.01259 0.02145 0.01638 0.01647 198 2S -0.01265 0.00090 0.06669 0.01057 0.04442 199 22 C 1S -0.00616 0.00206 -0.00456 0.00183 0.00127 200 2S 0.01293 -0.01098 0.01858 0.00172 0.00374 201 2PX 0.24941 -0.01707 0.13512 -0.17065 -0.16178 202 2PY 0.03665 0.00215 0.01405 -0.01407 -0.01306 203 2PZ 0.04343 -0.01926 0.00432 -0.04959 -0.05138 204 3S 0.03075 0.00251 -0.07135 -0.03232 -0.03248 205 3PX 0.15937 -0.02918 0.08829 -0.12410 -0.11873 206 3PY 0.01237 -0.00605 0.04367 -0.01018 -0.00743 207 3PZ 0.01912 -0.01700 0.05345 -0.03295 -0.02830 208 4XX 0.00161 0.00136 0.00360 -0.00061 -0.00023 209 4YY -0.00022 -0.00120 0.00051 0.00104 0.00121 210 4ZZ -0.00185 -0.00169 -0.00513 0.00176 0.00102 211 4XY -0.00805 0.00135 0.00884 0.00642 0.00632 212 4XZ -0.00690 -0.00099 -0.00688 -0.00120 -0.00116 213 4YZ -0.00218 0.00014 -0.00074 0.00298 0.00274 214 23 H 1S -0.00343 -0.00807 -0.01984 0.00573 0.00382 215 2S 0.01127 0.00375 -0.03729 0.01311 0.00648 46 47 48 49 50 O V V V V Eigenvalues -- -0.24114 -0.09078 -0.03741 -0.02163 0.04089 1 1 C 1S 0.02951 0.00071 0.00253 -0.00384 -0.00670 2 2S -0.05927 -0.00097 -0.01594 0.01935 0.02121 3 2PX -0.08415 -0.18447 -0.07776 -0.13701 -0.09296 4 2PY 0.03723 0.00766 0.00679 -0.01240 0.01116 5 2PZ 0.08494 -0.15743 -0.05698 -0.13839 -0.05973 6 3S -0.22747 0.01894 0.02074 -0.07869 0.09266 7 3PX -0.04605 -0.19524 -0.06152 -0.23926 -0.13446 8 3PY -0.04037 0.03607 -0.00704 -0.05764 -0.03451 9 3PZ 0.03388 -0.17702 -0.04794 -0.15381 -0.07136 10 4XX 0.00114 -0.00640 0.00775 -0.00061 0.01394 11 4YY 0.00268 -0.00134 -0.00137 0.00182 0.00441 12 4ZZ 0.00154 0.00847 -0.00820 -0.00027 -0.01752 13 4XY 0.00623 0.01279 -0.00547 0.00772 -0.01508 14 4XZ -0.00065 0.00061 -0.00006 -0.00005 -0.00151 15 4YZ -0.00630 0.00927 -0.00372 0.00886 -0.00640 16 2 C 1S -0.00443 -0.00168 -0.00393 0.00375 0.00063 17 2S 0.01623 0.00166 0.01580 -0.00283 -0.00404 18 2PX 0.08190 -0.16415 0.11460 -0.00276 0.24313 19 2PY 0.01103 0.04155 -0.00963 -0.01097 -0.06011 20 2PZ -0.08540 -0.16407 0.07421 0.03997 0.26707 21 3S -0.02183 0.03536 0.00592 -0.04219 0.01790 22 3PX 0.00042 -0.11391 0.11972 0.00240 0.31230 23 3PY 0.00199 0.00473 0.00477 0.13076 -0.09487 24 3PZ -0.00142 -0.11562 0.06712 0.02230 0.27344 25 4XX 0.00103 0.00337 0.00581 0.01894 0.00130 26 4YY 0.00044 0.00540 -0.00117 -0.00213 -0.00406 27 4ZZ -0.00162 -0.00787 -0.00329 -0.01603 0.00413 28 4XY 0.01605 -0.01721 0.00786 -0.00191 0.00829 29 4XZ -0.00296 -0.00373 0.00006 -0.00599 0.00217 30 4YZ -0.02511 -0.01645 0.00631 0.00322 0.00626 31 3 C 1S -0.03173 0.00883 -0.01294 -0.02451 0.00799 32 2S 0.06385 -0.01380 0.03922 0.05453 -0.00848 33 2PX -0.14254 -0.08637 0.08233 0.21792 -0.15533 34 2PY -0.04349 0.02121 -0.01047 -0.03379 0.04543 35 2PZ 0.03372 -0.05251 0.06997 0.16764 -0.10100 36 3S 0.23115 -0.04183 -0.00619 0.02775 -0.10775 37 3PX -0.09815 -0.08712 0.11553 0.33313 -0.18477 38 3PY 0.02684 0.01933 0.01473 -0.15753 0.07061 39 3PZ 0.01159 -0.07655 0.09377 0.13595 -0.12263 40 4XX -0.00294 0.01156 -0.01592 -0.00179 -0.01425 41 4YY -0.00218 -0.00090 0.00290 -0.00212 0.00253 42 4ZZ -0.00343 -0.00608 0.00785 -0.00231 0.01454 43 4XY 0.00900 0.00379 0.00629 -0.01057 -0.01453 44 4XZ -0.00467 0.00364 -0.01199 -0.00055 0.00525 45 4YZ -0.00224 0.00353 0.00422 -0.00905 -0.01509 46 4 C 1S 0.03174 -0.00883 -0.01293 0.02453 0.00801 47 2S -0.06387 0.01381 0.03920 -0.05457 -0.00853 48 2PX 0.14245 0.08635 0.08220 -0.21792 -0.15530 49 2PY -0.04346 0.02124 0.01050 -0.03391 -0.04548 50 2PZ -0.03383 0.05251 0.06989 -0.16767 -0.10100 51 3S -0.23122 0.04184 -0.00614 -0.02782 -0.10771 52 3PX 0.09805 0.08711 0.11535 -0.33307 -0.18483 53 3PY 0.02685 0.01937 -0.01473 -0.15771 -0.07075 54 3PZ -0.01167 0.07653 0.09375 -0.13603 -0.12250 55 4XX 0.00293 -0.01156 -0.01592 0.00181 -0.01427 56 4YY 0.00219 0.00091 0.00290 0.00211 0.00255 57 4ZZ 0.00343 0.00608 0.00785 0.00231 0.01454 58 4XY 0.00900 0.00378 -0.00631 -0.01057 0.01451 59 4XZ 0.00467 -0.00364 -0.01199 0.00056 0.00524 60 4YZ -0.00224 0.00353 -0.00423 -0.00905 0.01509 61 5 C 1S 0.00444 0.00168 -0.00393 -0.00375 0.00064 62 2S -0.01624 -0.00167 0.01581 0.00284 -0.00404 63 2PX -0.08193 0.16409 0.11463 0.00272 0.24308 64 2PY 0.01099 0.04168 0.00972 -0.01099 0.06030 65 2PZ 0.08540 0.16408 0.07423 -0.04002 0.26709 66 3S 0.02184 -0.03534 0.00586 0.04220 0.01776 67 3PX -0.00041 0.11389 0.11973 -0.00255 0.31219 68 3PY 0.00200 0.00481 -0.00461 0.13073 0.09525 69 3PZ 0.00141 0.11562 0.06716 -0.02233 0.27347 70 4XX -0.00106 -0.00335 0.00581 -0.01894 0.00132 71 4YY -0.00041 -0.00542 -0.00118 0.00212 -0.00408 72 4ZZ 0.00162 0.00787 -0.00329 0.01604 0.00413 73 4XY 0.01606 -0.01721 -0.00785 -0.00192 -0.00828 74 4XZ 0.00298 0.00375 0.00007 0.00598 0.00218 75 4YZ -0.02511 -0.01645 -0.00631 0.00323 -0.00626 76 6 C 1S -0.02952 -0.00071 0.00254 0.00383 -0.00670 77 2S 0.05927 0.00097 -0.01595 -0.01934 0.02119 78 2PX 0.08414 0.18447 -0.07765 0.13706 -0.09298 79 2PY 0.03732 0.00778 -0.00684 -0.01231 -0.01121 80 2PZ -0.08494 0.15744 -0.05689 0.13841 -0.05976 81 3S 0.22749 -0.01893 0.02079 0.07867 0.09279 82 3PX 0.04609 0.19521 -0.06137 0.23932 -0.13446 83 3PY -0.04032 0.03620 0.00697 -0.05748 0.03438 84 3PZ -0.03389 0.17703 -0.04785 0.15383 -0.07144 85 4XX -0.00115 0.00639 0.00774 0.00060 0.01392 86 4YY -0.00268 0.00135 -0.00136 -0.00181 0.00443 87 4ZZ -0.00154 -0.00847 -0.00820 0.00027 -0.01752 88 4XY 0.00623 0.01280 0.00548 0.00772 0.01508 89 4XZ 0.00066 -0.00061 -0.00006 0.00005 -0.00151 90 4YZ -0.00629 0.00927 0.00373 0.00885 0.00639 91 7 H 1S 0.04682 0.00722 -0.00304 -0.00131 -0.01780 92 2S 0.09496 0.02192 -0.00673 -0.04453 -0.12651 93 8 H 1S -0.01689 -0.01636 0.03843 -0.03280 -0.00227 94 2S -0.06282 -0.03334 0.11169 -0.13645 0.03571 95 9 H 1S 0.01688 0.01635 0.03844 0.03280 -0.00225 96 2S 0.06283 0.03331 0.11177 0.13640 0.03583 97 10 H 1S -0.04681 -0.00723 -0.00304 0.00131 -0.01781 98 2S -0.09495 -0.02194 -0.00671 0.04453 -0.12650 99 11 O 1S -0.00020 0.00210 -0.00118 -0.00416 0.00159 100 2S -0.00098 -0.00392 0.00114 -0.00743 -0.00044 101 2PX -0.17434 0.19934 -0.07695 0.01378 -0.16452 102 2PY -0.00699 -0.05230 0.01713 0.00126 0.03186 103 2PZ 0.29090 0.18463 -0.06514 -0.02536 -0.17232 104 3S 0.00881 -0.02664 0.02080 0.11890 -0.03063 105 3PX -0.12722 0.17400 -0.08654 0.01378 -0.18822 106 3PY -0.00079 -0.05227 0.02519 0.03583 0.02898 107 3PZ 0.21388 0.16386 -0.06611 -0.01924 -0.19062 108 4XX -0.00213 0.00247 -0.00090 -0.00262 0.00200 109 4YY -0.00051 -0.00145 0.00000 -0.00313 -0.00080 110 4ZZ 0.00156 -0.00018 -0.00074 -0.00896 0.00172 111 4XY -0.00452 0.00172 0.00003 0.00041 0.00221 112 4XZ 0.00070 0.00056 -0.00047 -0.00095 0.00111 113 4YZ 0.00928 0.00181 0.00016 0.00143 0.00362 114 12 O 1S 0.00020 -0.00210 -0.00118 0.00416 0.00159 115 2S 0.00098 0.00392 0.00114 0.00743 -0.00045 116 2PX 0.17450 -0.19929 -0.07698 -0.01375 -0.16449 117 2PY -0.00686 -0.05246 -0.01719 0.00126 -0.03197 118 2PZ -0.29087 -0.18463 -0.06516 0.02542 -0.17233 119 3S -0.00882 0.02664 0.02077 -0.11889 -0.03072 120 3PX 0.12734 -0.17394 -0.08655 -0.01378 -0.18819 121 3PY -0.00068 -0.05240 -0.02526 0.03583 -0.02910 122 3PZ -0.21385 -0.16387 -0.06614 0.01929 -0.19064 123 4XX 0.00214 -0.00247 -0.00090 0.00262 0.00200 124 4YY 0.00051 0.00146 0.00000 0.00313 -0.00080 125 4ZZ -0.00156 0.00018 -0.00074 0.00896 0.00173 126 4XY -0.00452 0.00172 -0.00003 0.00041 -0.00221 127 4XZ -0.00071 -0.00056 -0.00047 0.00095 0.00112 128 4YZ 0.00927 0.00181 -0.00016 0.00143 -0.00362 129 13 C 1S 0.00000 0.00000 -0.00287 0.00000 -0.02279 130 2S 0.00001 0.00000 0.01518 0.00000 0.04696 131 2PX -0.00001 0.00001 -0.03013 -0.00003 -0.01467 132 2PY -0.00274 -0.01561 0.00002 0.08885 0.00001 133 2PZ 0.00001 0.00000 0.03692 0.00000 -0.00565 134 3S 0.00002 0.00001 -0.01962 0.00003 0.30734 135 3PX 0.00000 0.00000 0.01549 -0.00005 0.08571 136 3PY -0.00589 -0.01032 0.00002 0.12046 0.00007 137 3PZ 0.00000 0.00000 0.08851 -0.00001 0.03173 138 4XX 0.00000 0.00000 -0.02534 0.00000 0.00296 139 4YY 0.00000 0.00000 0.01141 0.00000 -0.00051 140 4ZZ 0.00000 0.00000 0.01505 0.00000 -0.00218 141 4XY -0.00875 0.00677 -0.00002 0.00274 0.00000 142 4XZ 0.00000 0.00000 0.00237 0.00000 -0.00387 143 4YZ -0.00563 0.00316 0.00000 0.00062 0.00000 144 14 H 1S -0.00001 0.00001 -0.11558 0.00003 0.00735 145 2S -0.00003 0.00002 -0.30992 0.00008 -0.11961 146 15 H 1S 0.00000 0.00000 0.05607 -0.00002 -0.00834 147 2S -0.00001 -0.00001 0.21796 -0.00006 -0.12703 148 16 C 1S 0.01080 -0.01448 0.02226 0.00478 -0.00859 149 2S -0.02188 0.03488 -0.03351 -0.02528 0.02228 150 2PX 0.16095 -0.11127 0.32925 0.01523 -0.10598 151 2PY -0.03888 0.02453 -0.00949 0.00019 0.00169 152 2PZ 0.07917 -0.05171 0.12275 -0.01088 -0.06159 153 3S -0.03098 0.07315 -0.18621 0.07996 0.04881 154 3PX 0.12872 -0.12859 0.39659 0.00957 -0.19759 155 3PY -0.01949 0.02180 -0.02956 0.03146 -0.05718 156 3PZ 0.08057 -0.05572 0.11103 -0.00014 -0.06215 157 4XX -0.00187 -0.00328 0.00779 0.00114 -0.00285 158 4YY 0.00207 0.00053 0.00053 -0.00331 0.00311 159 4ZZ 0.00081 -0.00078 -0.00037 0.00630 -0.00194 160 4XY 0.00013 -0.00022 -0.00140 -0.00010 0.00733 161 4XZ 0.00262 -0.00627 -0.00270 0.01985 -0.00435 162 4YZ 0.00111 0.00016 -0.00048 0.00033 -0.00040 163 17 H 1S 0.02134 -0.00200 0.01069 -0.02210 -0.00084 164 2S 0.02041 0.00224 0.03326 -0.03076 -0.07762 165 18 C 1S -0.00078 -0.00215 -0.00164 -0.00343 -0.00038 166 2S 0.00625 0.01703 -0.00482 0.00854 -0.00794 167 2PX 0.09684 -0.08282 -0.15139 0.25302 0.06001 168 2PY -0.00821 -0.00431 0.00667 -0.00232 0.00762 169 2PZ 0.02142 -0.02262 -0.05380 0.10648 0.03241 170 3S -0.04292 -0.03236 0.05830 -0.01772 0.03421 171 3PX 0.06582 -0.05563 -0.20027 0.33006 0.07933 172 3PY -0.01936 -0.01146 -0.00684 -0.03807 -0.00149 173 3PZ 0.03646 0.00501 -0.09540 0.17990 0.02090 174 4XX 0.00232 -0.00306 0.00811 0.00020 -0.00282 175 4YY 0.00097 0.00051 -0.00037 -0.00120 -0.00013 176 4ZZ -0.00354 0.00496 -0.00943 -0.00062 0.00126 177 4XY -0.00633 0.00489 -0.01210 -0.01307 0.00887 178 4XZ -0.00454 0.00206 -0.01338 -0.00008 0.00615 179 4YZ -0.00062 0.00031 -0.00324 -0.00570 0.00355 180 19 H 1S -0.00729 0.01518 -0.00020 0.00059 -0.00977 181 2S -0.01188 -0.00562 -0.01250 -0.05520 -0.02895 182 20 C 1S -0.01082 0.01449 0.02227 -0.00479 -0.00859 183 2S 0.02192 -0.03489 -0.03351 0.02530 0.02229 184 2PX -0.16091 0.11120 0.32922 -0.01539 -0.10598 185 2PY -0.03895 0.02458 0.00961 0.00017 -0.00173 186 2PZ -0.07919 0.05170 0.12274 0.01083 -0.06158 187 3S 0.03105 -0.07319 -0.18627 -0.07986 0.04877 188 3PX -0.12870 0.12851 0.39654 -0.00981 -0.19765 189 3PY -0.01954 0.02184 0.02972 0.03144 0.05714 190 3PZ -0.08059 0.05573 0.11102 0.00009 -0.06214 191 4XX 0.00186 0.00328 0.00779 -0.00114 -0.00285 192 4YY -0.00207 -0.00053 0.00053 0.00331 0.00310 193 4ZZ -0.00081 0.00078 -0.00037 -0.00630 -0.00194 194 4XY 0.00013 -0.00022 0.00140 -0.00010 -0.00733 195 4XZ -0.00263 0.00627 -0.00270 -0.01985 -0.00436 196 4YZ 0.00110 0.00017 0.00048 0.00032 0.00040 197 21 H 1S -0.02133 0.00201 0.01073 0.02210 -0.00087 198 2S -0.02040 -0.00221 0.03329 0.03075 -0.07764 199 22 C 1S 0.00079 0.00215 -0.00165 0.00343 -0.00038 200 2S -0.00625 -0.01702 -0.00481 -0.00853 -0.00794 201 2PX -0.09695 0.08284 -0.15147 -0.25296 0.05999 202 2PY -0.00829 -0.00426 -0.00676 -0.00246 -0.00758 203 2PZ -0.02144 0.02261 -0.05384 -0.10644 0.03240 204 3S 0.04290 0.03234 0.05831 0.01769 0.03416 205 3PX -0.06589 0.05566 -0.20041 -0.32995 0.07930 206 3PY -0.01941 -0.01141 0.00672 -0.03824 0.00158 207 3PZ -0.03649 -0.00500 -0.09545 -0.17984 0.02084 208 4XX -0.00231 0.00306 0.00809 -0.00019 -0.00281 209 4YY -0.00098 -0.00050 -0.00036 0.00119 -0.00014 210 4ZZ 0.00354 -0.00496 -0.00942 0.00062 0.00126 211 4XY -0.00632 0.00489 0.01210 -0.01308 -0.00888 212 4XZ 0.00454 -0.00206 -0.01338 0.00009 0.00615 213 4YZ -0.00062 0.00031 0.00323 -0.00571 -0.00355 214 23 H 1S 0.00729 -0.01518 -0.00020 -0.00060 -0.00977 215 2S 0.01188 0.00564 -0.01247 0.05520 -0.02893 51 52 53 54 55 V V V V V Eigenvalues -- 0.06875 0.08016 0.10838 0.12068 0.13553 1 1 C 1S 0.00460 -0.02063 -0.03694 0.03559 0.00976 2 2S -0.02477 0.04465 0.05260 -0.05448 -0.00698 3 2PX -0.20375 0.00154 -0.07503 0.12344 0.00842 4 2PY 0.00463 -0.03706 -0.06417 0.09463 0.02665 5 2PZ -0.16988 0.02127 0.07166 -0.16269 -0.03044 6 3S 0.10395 0.23862 0.59670 -0.75007 -0.23220 7 3PX -0.25415 -0.04468 -0.13217 0.29428 -0.01497 8 3PY 0.08093 -0.11726 -0.23634 0.34731 0.07968 9 3PZ -0.30978 0.06329 0.16485 -0.32782 -0.01736 10 4XX 0.00560 -0.00350 -0.00748 0.00275 0.00396 11 4YY 0.00074 0.00343 0.00233 -0.00148 -0.00039 12 4ZZ -0.00743 -0.00136 -0.00463 0.00071 -0.00153 13 4XY 0.00978 -0.00179 -0.00974 0.00996 -0.00241 14 4XZ 0.00029 0.00435 0.00745 -0.00083 -0.00062 15 4YZ 0.00860 0.00441 0.00980 -0.01543 -0.00305 16 2 C 1S -0.00001 -0.00241 -0.00632 0.01060 -0.02265 17 2S 0.00084 0.01951 0.01792 -0.02414 0.04367 18 2PX 0.11099 -0.00109 -0.01575 0.04942 0.08987 19 2PY -0.02871 -0.01227 -0.01973 -0.01035 0.02122 20 2PZ 0.10343 -0.01997 -0.01054 -0.01740 0.00171 21 3S -0.04222 -0.10222 -0.00535 -0.08256 0.26915 22 3PX 0.09227 -0.03481 -0.02173 -0.05942 0.09365 23 3PY -0.16650 0.07338 -0.11226 -0.11272 0.13104 24 3PZ 0.12894 0.00027 -0.02445 0.10996 0.05828 25 4XX 0.01655 0.00642 0.00810 -0.00409 -0.00414 26 4YY -0.00347 -0.01559 -0.01808 0.01200 -0.00646 27 4ZZ -0.01314 0.00837 0.00792 -0.00409 0.00391 28 4XY 0.00072 -0.00564 -0.00103 -0.00386 -0.00362 29 4XZ 0.00148 -0.00546 -0.00504 0.00234 -0.00028 30 4YZ 0.00359 -0.00101 -0.00360 0.00745 0.00071 31 3 C 1S -0.00495 -0.04311 -0.03003 -0.01530 -0.00504 32 2S -0.00024 0.06145 0.06098 0.00794 -0.01128 33 2PX 0.08002 0.06977 0.02578 0.06106 0.01311 34 2PY -0.03101 -0.07291 -0.03592 -0.03001 -0.03944 35 2PZ 0.05405 -0.10310 -0.04169 -0.08888 -0.11729 36 3S 0.11269 0.64950 0.41366 0.43196 0.21399 37 3PX 0.06207 0.16258 0.04838 0.06564 0.15513 38 3PY 0.01261 -0.26935 -0.16604 -0.17572 -0.09489 39 3PZ 0.20576 -0.24651 -0.11942 -0.14953 -0.27673 40 4XX -0.01459 -0.00535 -0.00269 -0.00401 0.00544 41 4YY 0.00369 0.00217 0.00599 0.00022 -0.00567 42 4ZZ 0.00580 -0.00775 -0.00630 0.00059 -0.00295 43 4XY -0.00318 0.00764 0.00780 0.00244 0.00900 44 4XZ -0.00644 0.00267 0.00429 -0.00308 -0.00367 45 4YZ -0.00364 -0.00610 -0.00461 -0.00208 -0.01377 46 4 C 1S 0.00495 -0.04311 -0.03003 -0.01530 -0.00285 47 2S 0.00023 0.06141 0.06100 0.00795 -0.01543 48 2PX -0.07999 0.06972 0.02573 0.06105 0.00899 49 2PY -0.03104 0.07297 0.03593 0.03006 0.03766 50 2PZ -0.05412 -0.10307 -0.04171 -0.08888 -0.11619 51 3S -0.11256 0.64961 0.41356 0.43194 0.19518 52 3PX -0.06208 0.16229 0.04830 0.06554 0.13984 53 3PY 0.01264 0.26931 0.16614 0.17576 0.08520 54 3PZ -0.20586 -0.24631 -0.11961 -0.14959 -0.25825 55 4XX 0.01460 -0.00535 -0.00267 -0.00400 0.00557 56 4YY -0.00369 0.00217 0.00597 0.00021 -0.00531 57 4ZZ -0.00580 -0.00775 -0.00630 0.00059 -0.00290 58 4XY -0.00317 -0.00764 -0.00781 -0.00245 -0.00907 59 4XZ 0.00645 0.00266 0.00429 -0.00308 -0.00378 60 4YZ -0.00363 0.00611 0.00461 0.00208 0.01391 61 5 C 1S 0.00000 -0.00241 -0.00632 0.01059 -0.02324 62 2S -0.00083 0.01953 0.01791 -0.02415 0.04563 63 2PX -0.11095 -0.00103 -0.01577 0.04940 0.09294 64 2PY -0.02880 0.01227 0.01972 0.01038 -0.02217 65 2PZ -0.10343 -0.01991 -0.01056 -0.01741 0.00374 66 3S 0.04223 -0.10230 -0.00526 -0.08252 0.26628 67 3PX -0.09215 -0.03469 -0.02177 -0.05947 0.09462 68 3PY -0.16655 -0.07320 0.11210 0.11263 -0.11569 69 3PZ -0.12892 0.00030 -0.02447 0.10993 0.05826 70 4XX -0.01655 0.00642 0.00810 -0.00409 -0.00425 71 4YY 0.00346 -0.01558 -0.01808 0.01200 -0.00629 72 4ZZ 0.01314 0.00836 0.00792 -0.00409 0.00384 73 4XY 0.00071 0.00566 0.00105 0.00385 0.00355 74 4XZ -0.00149 -0.00546 -0.00504 0.00235 0.00001 75 4YZ 0.00359 0.00100 0.00359 -0.00745 -0.00068 76 6 C 1S -0.00460 -0.02062 -0.03694 0.03559 0.01061 77 2S 0.02479 0.04463 0.05261 -0.05448 -0.00930 78 2PX 0.20375 0.00142 -0.07506 0.12351 0.00738 79 2PY 0.00476 0.03705 0.06412 -0.09454 -0.02772 80 2PZ 0.16989 0.02119 0.07168 -0.16269 -0.03174 81 3S -0.10393 0.23874 0.59665 -0.75008 -0.22938 82 3PX 0.25408 -0.04481 -0.13237 0.29452 -0.00852 83 3PY 0.08110 0.11716 0.23630 -0.34706 -0.08899 84 3PZ 0.30979 0.06308 0.16495 -0.32780 -0.02884 85 4XX -0.00561 -0.00350 -0.00749 0.00277 0.00411 86 4YY -0.00073 0.00344 0.00234 -0.00149 -0.00023 87 4ZZ 0.00743 -0.00137 -0.00463 0.00071 -0.00162 88 4XY 0.00977 0.00178 0.00973 -0.00996 0.00240 89 4XZ -0.00029 0.00435 0.00746 -0.00084 -0.00083 90 4YZ 0.00860 -0.00441 -0.00979 0.01543 0.00302 91 7 H 1S 0.00056 -0.02311 -0.06735 0.06034 0.00798 92 2S 0.04385 -0.29692 -0.73989 1.10480 0.18402 93 8 H 1S 0.03178 -0.03868 -0.04204 -0.00662 -0.04617 94 2S 0.13923 -0.79228 -0.47038 -0.44708 -0.54563 95 9 H 1S -0.03178 -0.03866 -0.04204 -0.00663 -0.04530 96 2S -0.13946 -0.79203 -0.47053 -0.44712 -0.51113 97 10 H 1S -0.00056 -0.02310 -0.06735 0.06034 0.00890 98 2S -0.04390 -0.29683 -0.73997 1.10477 0.19954 99 11 O 1S 0.00550 0.00015 0.01090 0.00022 0.00030 100 2S -0.00396 -0.00949 -0.02420 0.00566 -0.00312 101 2PX -0.05655 0.01163 -0.02110 -0.02066 -0.02827 102 2PY 0.00313 -0.04543 -0.05326 0.03443 -0.01728 103 2PZ -0.06290 0.00271 -0.00545 -0.01674 -0.02030 104 3S -0.10263 0.06395 -0.11488 -0.05073 0.03006 105 3PX -0.07137 0.01120 -0.00456 -0.01766 -0.04591 106 3PY -0.01937 -0.00252 -0.07468 0.00458 -0.00284 107 3PZ -0.07755 0.00951 -0.00280 -0.01875 -0.01607 108 4XX 0.00677 -0.00287 0.00250 0.00349 -0.00096 109 4YY 0.00042 0.00347 0.00131 -0.00357 0.00208 110 4ZZ 0.00092 -0.00325 0.00053 0.00146 -0.00065 111 4XY 0.00106 0.00226 -0.00119 0.00247 0.00293 112 4XZ -0.00006 0.00039 0.00100 -0.00092 0.00112 113 4YZ 0.00170 -0.00013 -0.00006 -0.00353 -0.00071 114 12 O 1S -0.00550 0.00015 0.01089 0.00022 0.00082 115 2S 0.00396 -0.00950 -0.02419 0.00566 -0.00368 116 2PX 0.05654 0.01155 -0.02111 -0.02063 -0.03042 117 2PY 0.00318 0.04543 0.05325 -0.03444 0.01707 118 2PZ 0.06289 0.00268 -0.00544 -0.01673 -0.02068 119 3S 0.10261 0.06383 -0.11480 -0.05071 0.01984 120 3PX 0.07137 0.01115 -0.00460 -0.01766 -0.04802 121 3PY -0.01931 0.00255 0.07465 -0.00460 0.00568 122 3PZ 0.07755 0.00947 -0.00279 -0.01875 -0.01699 123 4XX -0.00677 -0.00286 0.00250 0.00349 -0.00064 124 4YY -0.00042 0.00347 0.00131 -0.00357 0.00196 125 4ZZ -0.00092 -0.00325 0.00053 0.00146 -0.00040 126 4XY 0.00105 -0.00227 0.00119 -0.00246 -0.00293 127 4XZ 0.00006 0.00039 0.00100 -0.00092 0.00110 128 4YZ 0.00170 0.00013 0.00006 0.00353 0.00067 129 13 C 1S -0.00001 -0.05775 -0.00954 -0.04597 0.08044 130 2S 0.00000 0.06254 0.00439 0.04166 -0.07613 131 2PX 0.00005 0.04353 -0.00250 0.06582 -0.33854 132 2PY -0.09109 0.00006 -0.00002 0.00002 0.00092 133 2PZ -0.00004 -0.14644 -0.02311 -0.08522 -0.06111 134 3S 0.00015 1.00404 0.17489 0.89619 -1.48386 135 3PX 0.00015 0.02456 0.02194 0.10803 -0.93521 136 3PY -0.31515 0.00010 -0.00002 0.00005 0.00531 137 3PZ -0.00009 -0.33555 -0.19354 -0.27676 -0.35767 138 4XX 0.00001 -0.00842 -0.00122 -0.00310 0.01190 139 4YY -0.00001 0.00503 -0.01415 -0.00933 0.00502 140 4ZZ 0.00000 -0.00874 0.01021 0.00175 0.00334 141 4XY -0.01915 0.00000 0.00000 0.00000 -0.00009 142 4XZ 0.00000 0.00328 -0.00708 -0.00468 0.00659 143 4YZ -0.00557 0.00000 -0.00001 0.00000 -0.00020 144 14 H 1S -0.00001 -0.03035 -0.00808 -0.01370 0.06349 145 2S -0.00009 -0.36818 -0.03027 -0.39529 1.82436 146 15 H 1S -0.00001 -0.02343 0.03170 -0.00148 0.00270 147 2S -0.00015 -0.84631 -0.15944 -0.61247 0.07937 148 16 C 1S 0.03890 -0.02406 0.03374 0.01420 0.00523 149 2S -0.06665 0.05476 -0.06434 -0.01427 -0.03334 150 2PX 0.16455 0.06462 -0.00492 -0.00534 0.02263 151 2PY -0.02943 -0.10366 0.08002 0.00968 0.01815 152 2PZ 0.12846 0.01037 0.04638 0.02577 -0.00597 153 3S -0.44970 0.31257 -0.38569 -0.19457 0.02550 154 3PX 0.21512 0.09625 -0.05224 -0.06505 0.26578 155 3PY -0.06381 -0.26484 0.24527 -0.01227 0.09441 156 3PZ 0.23674 0.09710 0.22495 0.18553 0.08470 157 4XX 0.01484 0.00270 -0.00246 -0.00151 -0.00268 158 4YY -0.00178 -0.01046 0.01386 0.00678 0.00011 159 4ZZ -0.00493 0.00576 -0.00449 -0.00010 0.00043 160 4XY -0.00164 -0.00072 -0.00119 -0.00002 -0.00855 161 4XZ -0.01084 -0.00308 0.00253 -0.00065 0.00369 162 4YZ -0.00232 -0.00828 0.00692 0.00342 -0.00753 163 17 H 1S 0.00000 -0.03414 0.05508 0.02903 -0.00108 164 2S 0.15610 -0.54472 0.63047 0.18051 0.09540 165 18 C 1S 0.00373 -0.02409 0.03365 0.02117 -0.00720 166 2S -0.01374 0.05406 -0.04575 -0.01909 -0.01333 167 2PX -0.24093 -0.03823 0.03839 0.04396 -0.05803 168 2PY -0.01525 -0.03181 0.10036 0.07417 -0.00990 169 2PZ -0.08023 0.05759 -0.11093 -0.07596 0.00534 170 3S -0.02450 0.25154 -0.66773 -0.49742 0.11124 171 3PX -0.38982 -0.10176 0.08158 0.07912 -0.06946 172 3PY -0.03783 -0.05425 0.22589 0.21556 -0.05572 173 3PZ -0.14438 0.12921 -0.20121 -0.17320 0.01431 174 4XX 0.00302 -0.00016 -0.00164 -0.00037 -0.00006 175 4YY 0.00299 0.00346 0.00162 0.00332 -0.00249 176 4ZZ -0.00691 -0.00611 0.00278 0.00137 -0.00678 177 4XY 0.01080 -0.00567 0.00433 0.00240 -0.00468 178 4XZ -0.00405 -0.00115 -0.00317 0.00003 0.00000 179 4YZ 0.00464 0.01248 -0.01354 -0.00535 0.00023 180 19 H 1S 0.00058 -0.04247 0.04775 0.01993 -0.01065 181 2S -0.04447 -0.44333 0.78465 0.59055 -0.13082 182 20 C 1S -0.03894 -0.02404 0.03373 0.01420 0.00668 183 2S 0.06671 0.05472 -0.06432 -0.01428 -0.03486 184 2PX -0.16453 0.06462 -0.00492 -0.00534 0.01794 185 2PY -0.02943 0.10368 -0.08007 -0.00971 -0.02244 186 2PZ -0.12852 0.01046 0.04633 0.02577 -0.00641 187 3S 0.45003 0.31231 -0.38558 -0.19458 -0.00468 188 3PX -0.21506 0.09622 -0.05222 -0.06508 0.25585 189 3PY -0.06373 0.26482 -0.24543 0.01212 -0.10593 190 3PZ -0.23683 0.09726 0.22484 0.18553 0.08012 191 4XX -0.01484 0.00270 -0.00246 -0.00151 -0.00284 192 4YY 0.00177 -0.01046 0.01386 0.00678 0.00007 193 4ZZ 0.00493 0.00577 -0.00449 -0.00010 0.00079 194 4XY -0.00165 0.00072 0.00118 0.00001 0.00832 195 4XZ 0.01084 -0.00309 0.00254 -0.00064 0.00365 196 4YZ -0.00231 0.00827 -0.00692 -0.00342 0.00739 197 21 H 1S -0.00005 -0.03413 0.05509 0.02903 -0.00093 198 2S -0.15649 -0.54456 0.63052 0.18060 0.12256 199 22 C 1S -0.00374 -0.02410 0.03365 0.02117 -0.00803 200 2S 0.01376 0.05407 -0.04574 -0.01908 -0.01170 201 2PX 0.24094 -0.03831 0.03847 0.04400 -0.05363 202 2PY -0.01511 0.03179 -0.10033 -0.07413 0.01003 203 2PZ 0.08026 0.05757 -0.11095 -0.07597 0.00514 204 3S 0.02471 0.25155 -0.66775 -0.49743 0.11833 205 3PX 0.38984 -0.10193 0.08179 0.07925 -0.05998 206 3PY -0.03757 0.05422 -0.22585 -0.21546 0.06326 207 3PZ 0.14441 0.12920 -0.20126 -0.17323 0.01200 208 4XX -0.00304 -0.00017 -0.00164 -0.00036 -0.00016 209 4YY -0.00298 0.00347 0.00161 0.00331 -0.00274 210 4ZZ 0.00691 -0.00612 0.00279 0.00137 -0.00663 211 4XY 0.01080 0.00566 -0.00433 -0.00241 0.00480 212 4XZ 0.00406 -0.00114 -0.00318 0.00002 0.00017 213 4YZ 0.00463 -0.01248 0.01354 0.00535 -0.00019 214 23 H 1S -0.00060 -0.04248 0.04775 0.01993 -0.01161 215 2S 0.04422 -0.44341 0.78472 0.59052 -0.13446 56 57 58 59 60 V V V V V Eigenvalues -- 0.13580 0.15097 0.15135 0.15962 0.17377 1 1 C 1S -0.02551 -0.00078 -0.00772 0.03063 -0.06904 2 2S 0.06938 -0.00858 0.03366 -0.08227 0.14412 3 2PX 0.03270 -0.01910 -0.05928 -0.07895 -0.15357 4 2PY -0.03281 -0.00090 -0.01364 0.02020 -0.09907 5 2PZ 0.04049 -0.01553 -0.01772 -0.13022 0.04015 6 3S -0.07917 0.03185 -0.05153 -0.10622 0.57757 7 3PX -0.18859 -0.03172 -0.26758 0.16639 -0.72745 8 3PY -0.27775 -0.03327 -0.14340 0.18508 -0.55862 9 3PZ 0.34495 0.04326 0.03179 -0.50685 0.55322 10 4XX -0.00455 -0.00182 0.00715 0.00415 0.00286 11 4YY -0.00463 -0.00159 0.00112 0.00718 -0.00701 12 4ZZ 0.00284 -0.00100 -0.00445 -0.00880 -0.00849 13 4XY -0.00015 -0.00232 0.00077 0.00075 0.00650 14 4XZ 0.00600 0.00228 -0.00218 -0.00263 0.00539 15 4YZ -0.00077 -0.00134 0.00056 0.00567 -0.00308 16 2 C 1S 0.01784 -0.00524 -0.00255 -0.01031 0.01786 17 2S -0.05910 0.00349 0.01321 0.03491 -0.06620 18 2PX -0.09375 0.01891 0.11710 0.12727 0.13064 19 2PY -0.03049 0.00198 -0.01362 -0.00989 -0.09501 20 2PZ -0.06199 -0.00192 0.09277 0.14247 0.03530 21 3S 0.08021 0.10850 -0.01642 -0.05950 0.05330 22 3PX -0.03152 0.06075 0.17678 0.17282 0.16538 23 3PY 0.45292 0.11263 0.20723 -0.40222 0.21635 24 3PZ -0.00105 -0.01469 0.10048 0.11173 0.12158 25 4XX 0.00322 0.00075 -0.00102 -0.00065 0.00476 26 4YY -0.00478 -0.00395 -0.00455 -0.00099 -0.01115 27 4ZZ 0.00200 0.00042 0.00462 0.00055 0.00775 28 4XY -0.00199 -0.00280 -0.00140 -0.00195 -0.00191 29 4XZ -0.00878 -0.00154 -0.00183 0.00505 -0.01246 30 4YZ 0.00087 -0.00126 -0.00018 -0.00203 -0.00137 31 3 C 1S -0.06528 0.00028 0.01709 0.02080 0.00737 32 2S 0.12405 0.00856 -0.02170 -0.06275 0.01405 33 2PX 0.12347 -0.00279 -0.11555 -0.12590 -0.14401 34 2PY -0.05307 -0.01605 0.01395 0.01854 -0.05386 35 2PZ -0.02941 -0.02144 -0.06866 -0.10400 -0.06955 36 3S 0.55354 -0.05120 -0.28789 0.15952 -0.43283 37 3PX 0.45184 0.05113 -0.17875 -0.33891 -0.17307 38 3PY -0.29427 0.03855 0.01449 0.27611 -0.36219 39 3PZ -0.54242 -0.12045 -0.12255 -0.07287 -0.23662 40 4XX -0.00370 0.00312 -0.00398 -0.00511 -0.00643 41 4YY -0.01099 -0.00121 0.00249 0.00565 0.00765 42 4ZZ -0.00160 0.00074 0.00582 0.00705 -0.00001 43 4XY -0.00253 -0.00267 0.00446 0.00292 0.00687 44 4XZ 0.00300 0.00127 0.00083 0.00000 0.00917 45 4YZ 0.00453 -0.00559 0.00026 0.00138 0.00012 46 4 C 1S 0.06543 0.00037 -0.01709 -0.02081 -0.00737 47 2S -0.12361 0.00845 0.02177 0.06277 -0.01405 48 2PX -0.12382 -0.00360 0.11550 0.12584 0.14420 49 2PY -0.05446 0.01600 0.01414 0.01863 -0.05375 50 2PZ 0.03338 -0.02197 0.06858 0.10408 0.06933 51 3S -0.56072 -0.05294 0.28745 -0.15952 0.43272 52 3PX -0.45666 0.05005 0.17898 0.33857 0.17384 53 3PY -0.29776 -0.03841 0.01429 0.27631 -0.36225 54 3PZ 0.55143 -0.12162 0.12180 0.07313 0.23582 55 4XX 0.00353 0.00308 0.00399 0.00510 0.00643 56 4YY 0.01117 -0.00119 -0.00250 -0.00565 -0.00765 57 4ZZ 0.00170 0.00079 -0.00581 -0.00704 0.00000 58 4XY -0.00222 0.00264 0.00449 0.00294 0.00687 59 4XZ -0.00287 0.00127 -0.00081 0.00001 -0.00917 60 4YZ 0.00406 0.00558 0.00029 0.00136 0.00015 61 5 C 1S -0.01707 -0.00524 0.00253 0.01034 -0.01796 62 2S 0.05758 0.00355 -0.01322 -0.03497 0.06631 63 2PX 0.09066 0.01975 -0.11699 -0.12729 -0.13050 64 2PY -0.02969 -0.00183 -0.01369 -0.00994 -0.09521 65 2PZ 0.06188 -0.00125 -0.09276 -0.14243 -0.03536 66 3S -0.08914 0.10837 0.01692 0.05900 -0.05161 67 3PX 0.02803 0.06211 -0.17649 -0.17253 -0.16537 68 3PY 0.45710 -0.11431 0.20624 -0.40229 0.21595 69 3PZ -0.00097 -0.01391 -0.10058 -0.11175 -0.12164 70 4XX -0.00307 0.00075 0.00102 0.00065 -0.00475 71 4YY 0.00499 -0.00398 0.00453 0.00099 0.01112 72 4ZZ -0.00213 0.00046 -0.00462 -0.00055 -0.00775 73 4XY -0.00211 0.00281 -0.00138 -0.00196 -0.00192 74 4XZ 0.00879 -0.00156 0.00182 -0.00505 0.01247 75 4YZ 0.00090 0.00126 -0.00017 -0.00203 -0.00136 76 6 C 1S 0.02516 -0.00086 0.00771 -0.03065 0.06907 77 2S -0.06911 -0.00828 -0.03372 0.08229 -0.14416 78 2PX -0.03295 -0.01955 0.05914 0.07892 0.15362 79 2PY -0.03191 0.00102 -0.01356 0.02029 -0.09904 80 2PZ -0.03945 -0.01564 0.01762 0.13023 -0.04010 81 3S 0.08699 0.03152 0.05193 0.10655 -0.57821 82 3PX 0.18918 -0.03390 0.26742 -0.16651 0.72768 83 3PY -0.27474 0.03449 -0.14290 0.18509 -0.55838 84 3PZ -0.34417 0.04371 -0.03146 0.50684 -0.55307 85 4XX 0.00441 -0.00177 -0.00716 -0.00415 -0.00286 86 4YY 0.00464 -0.00158 -0.00113 -0.00718 0.00702 87 4ZZ -0.00279 -0.00103 0.00444 0.00879 0.00850 88 4XY -0.00023 0.00231 0.00078 0.00075 0.00650 89 4XZ -0.00597 0.00227 0.00219 0.00263 -0.00538 90 4YZ -0.00087 0.00134 0.00057 0.00568 -0.00310 91 7 H 1S -0.02784 -0.01209 0.00785 0.01186 -0.05846 92 2S -0.46679 -0.05795 -0.23713 0.58405 -1.46935 93 8 H 1S -0.02551 -0.01749 0.01816 0.03015 -0.01991 94 2S -1.01752 -0.15861 0.10599 0.14722 -0.18302 95 9 H 1S 0.02706 -0.01737 -0.01825 -0.03011 0.01975 96 2S 1.03553 -0.15841 -0.10685 -0.14684 0.18194 97 10 H 1S 0.02755 -0.01206 -0.00793 -0.01186 0.05844 98 2S 0.46029 -0.06009 0.23655 -0.58427 1.46956 99 11 O 1S -0.01531 -0.00334 -0.00791 0.01169 -0.00153 100 2S 0.01628 0.01078 0.00125 -0.00268 -0.01662 101 2PX 0.06407 0.01636 -0.03163 -0.03816 -0.08692 102 2PY -0.00554 -0.01063 0.00250 -0.00655 -0.01417 103 2PZ 0.01249 -0.01176 -0.02429 -0.07823 -0.00315 104 3S 0.30386 0.05073 0.18751 -0.26329 0.13667 105 3PX 0.06441 -0.00602 -0.05631 -0.08780 -0.07342 106 3PY 0.08547 0.01575 0.07611 -0.06459 0.02634 107 3PZ 0.02863 0.00052 -0.03905 -0.09045 -0.02885 108 4XX -0.00935 -0.00096 -0.00651 0.00841 -0.00399 109 4YY 0.00334 0.00503 0.00025 0.00238 -0.00419 110 4ZZ -0.00769 0.00183 -0.00520 0.01092 -0.00651 111 4XY -0.00005 0.00157 0.00463 0.00291 0.00417 112 4XZ 0.00060 0.00093 0.00024 0.00081 0.00071 113 4YZ -0.00140 0.00062 0.00395 0.00347 0.00200 114 12 O 1S 0.01529 -0.00340 0.00788 -0.01170 0.00155 115 2S -0.01615 0.01079 -0.00114 0.00270 0.01658 116 2PX -0.06305 0.01613 0.03179 0.03819 0.08686 117 2PY -0.00616 0.01063 0.00258 -0.00656 -0.01401 118 2PZ -0.01179 -0.01194 0.02422 0.07822 0.00313 119 3S -0.30474 0.05226 -0.18704 0.26339 -0.13692 120 3PX -0.06287 -0.00641 0.05624 0.08786 0.07333 121 3PY 0.08530 -0.01636 0.07597 -0.06460 0.02657 122 3PZ -0.02806 0.00024 0.03905 0.09044 0.02886 123 4XX 0.00938 -0.00101 0.00650 -0.00842 0.00399 124 4YY -0.00340 0.00503 -0.00021 -0.00238 0.00420 125 4ZZ 0.00771 0.00179 0.00521 -0.01092 0.00650 126 4XY 0.00006 -0.00161 0.00463 0.00291 0.00417 127 4XZ -0.00063 0.00093 -0.00024 -0.00081 -0.00070 128 4YZ -0.00142 -0.00065 0.00395 0.00346 0.00200 129 13 C 1S -0.00133 0.08652 0.00031 0.00000 -0.00002 130 2S 0.00123 -0.13001 -0.00046 0.00000 -0.00001 131 2PX 0.00574 0.10052 0.00047 0.00006 0.00004 132 2PY 0.06108 0.00016 -0.03991 0.02093 -0.02275 133 2PZ 0.00104 0.03036 0.00008 -0.00004 0.00031 134 3S 0.02477 -1.04492 -0.00365 0.00003 0.00048 135 3PX 0.01578 0.18786 0.00097 0.00016 -0.00002 136 3PY 0.33076 -0.00021 0.02355 0.26037 0.03155 137 3PZ 0.00619 0.23102 0.00079 -0.00010 0.00122 138 4XX -0.00020 -0.00367 -0.00001 -0.00001 0.00000 139 4YY -0.00008 0.01881 0.00007 0.00001 -0.00001 140 4ZZ -0.00006 0.00606 0.00002 0.00000 0.00001 141 4XY -0.00520 0.00000 -0.00230 0.01055 0.00601 142 4XZ -0.00011 -0.00174 -0.00001 0.00000 0.00001 143 4YZ -0.01205 -0.00004 0.01293 -0.00985 -0.00301 144 14 H 1S -0.00108 -0.01988 -0.00009 -0.00002 0.00001 145 2S -0.03082 0.07530 -0.00011 -0.00026 -0.00052 146 15 H 1S -0.00004 0.03825 0.00013 -0.00001 0.00009 147 2S -0.00105 0.77190 0.00269 -0.00016 0.00137 148 16 C 1S -0.04200 -0.08056 -0.01392 -0.06186 -0.00673 149 2S 0.04409 0.11991 0.00662 0.11324 0.01600 150 2PX 0.13854 0.04133 -0.03208 -0.01548 -0.06171 151 2PY -0.12350 -0.08942 -0.16870 -0.06660 0.08614 152 2PZ 0.01401 -0.05113 -0.09072 -0.05432 -0.02417 153 3S 0.88018 1.16638 0.59995 0.73782 -0.00551 154 3PX 0.28908 0.10082 -0.01355 -0.06203 -0.17007 155 3PY -0.33087 -0.41860 -0.32119 -0.45386 0.25960 156 3PZ 0.13813 -0.19137 -0.18389 -0.12785 0.05509 157 4XX 0.00474 -0.00041 -0.00585 -0.00841 -0.00507 158 4YY 0.00126 -0.01020 -0.00024 0.00477 0.00290 159 4ZZ -0.01046 -0.00695 0.00561 -0.01000 -0.00104 160 4XY -0.00660 -0.00373 0.00156 0.00602 0.00460 161 4XZ 0.00104 0.00236 -0.00764 0.00096 -0.00228 162 4YZ -0.00398 0.01267 0.00013 -0.00462 0.00222 163 17 H 1S -0.00359 -0.05235 -0.00597 -0.02414 0.01479 164 2S -0.78142 -1.10367 -0.73084 -0.86214 0.33660 165 18 C 1S 0.02489 0.04096 -0.05986 0.06095 0.01614 166 2S -0.04742 -0.06489 0.10577 -0.11802 -0.01851 167 2PX -0.12979 0.02480 -0.01395 0.08478 0.06314 168 2PY 0.00620 0.09240 -0.09371 0.03495 0.03498 169 2PZ 0.00431 -0.07845 0.14705 -0.02603 -0.02735 170 3S -0.22053 -0.71059 0.86207 -0.59937 -0.39126 171 3PX -0.28050 0.06527 -0.21090 0.26260 0.13633 172 3PY 0.22436 0.42655 -0.27651 0.29257 0.02951 173 3PZ 0.06798 -0.19962 0.67806 -0.38344 -0.03474 174 4XX 0.00302 0.00319 -0.00186 -0.00194 -0.00139 175 4YY 0.00719 -0.00435 0.00060 0.01078 -0.00246 176 4ZZ -0.00412 0.00600 -0.00638 0.00363 0.00348 177 4XY 0.00353 -0.00015 0.00102 -0.00293 -0.00133 178 4XZ -0.00503 -0.00520 0.00380 0.00052 0.00188 179 4YZ 0.00121 0.00200 -0.00357 0.00327 -0.00082 180 19 H 1S 0.02887 0.03216 -0.03897 0.03341 0.01364 181 2S 0.11519 0.84773 -1.27250 0.89412 0.31185 182 20 C 1S 0.04174 -0.08070 0.01332 0.06184 0.00676 183 2S -0.04284 0.11999 -0.00573 -0.11320 -0.01602 184 2PX -0.13915 0.04119 0.03250 0.01553 0.06154 185 2PY -0.12285 0.09079 -0.16804 -0.06660 0.08622 186 2PZ -0.01388 -0.05175 0.09028 0.05427 0.02434 187 3S -0.87984 1.17153 -0.59122 -0.73748 0.00487 188 3PX -0.29782 0.10087 0.01439 0.06228 0.16927 189 3PY -0.32734 0.42133 -0.31822 -0.45393 0.26034 190 3PZ -0.14122 -0.19247 0.18223 0.12755 -0.05452 191 4XX -0.00464 -0.00046 0.00585 0.00841 0.00507 192 4YY -0.00127 -0.01019 0.00016 -0.00476 -0.00288 193 4ZZ 0.01042 -0.00692 -0.00566 0.01000 0.00102 194 4XY -0.00688 0.00373 0.00159 0.00604 0.00458 195 4XZ -0.00116 0.00231 0.00765 -0.00096 0.00230 196 4YZ -0.00424 -0.01266 0.00004 -0.00463 0.00223 197 21 H 1S 0.00356 -0.05239 0.00558 0.02412 -0.01471 198 2S 0.77712 -1.10969 0.72263 0.86193 -0.33658 199 22 C 1S -0.02460 0.04055 0.06016 -0.06094 -0.01612 200 2S 0.04778 -0.06415 -0.10623 0.11801 0.01847 201 2PX 0.13171 0.02466 0.01423 -0.08476 -0.06323 202 2PY 0.00586 -0.09169 -0.09433 0.03489 0.03491 203 2PZ -0.00455 -0.07740 -0.14766 0.02602 0.02755 204 3S 0.21613 -0.70457 -0.86723 0.59928 0.39108 205 3PX 0.28268 0.06370 0.21160 -0.26271 -0.13647 206 3PY 0.22222 -0.42461 -0.27937 0.29229 0.02935 207 3PZ -0.06857 -0.19473 -0.67960 0.38343 0.03516 208 4XX -0.00302 0.00318 0.00188 0.00194 0.00139 209 4YY -0.00711 -0.00433 -0.00063 -0.01078 0.00246 210 4ZZ 0.00436 0.00595 0.00642 -0.00363 -0.00348 211 4XY 0.00337 0.00015 0.00103 -0.00292 -0.00134 212 4XZ 0.00503 -0.00517 -0.00383 -0.00052 -0.00190 213 4YZ 0.00122 -0.00198 -0.00358 0.00327 -0.00084 214 23 H 1S -0.02846 0.03190 0.03922 -0.03339 -0.01368 215 2S -0.10997 0.83858 1.27875 -0.89392 -0.31231 61 62 63 64 65 V V V V V Eigenvalues -- 0.17486 0.19699 0.19869 0.20670 0.21913 1 1 C 1S 0.01870 0.01416 0.04064 0.02842 -0.03021 2 2S -0.02046 -0.01930 -0.07479 -0.04591 0.02122 3 2PX 0.00235 -0.01923 -0.10561 0.03098 0.03035 4 2PY 0.04417 0.00943 0.04903 -0.02652 -0.04197 5 2PZ 0.03215 -0.06878 0.11102 -0.08147 -0.06303 6 3S -0.36712 -0.28683 -0.67139 -0.49559 0.64614 7 3PX -0.07440 -0.00262 -0.31284 0.21441 0.24229 8 3PY 0.16613 0.00656 0.32868 -0.03547 -0.27181 9 3PZ 0.09764 -0.18662 0.39086 -0.37352 -0.25872 10 4XX -0.00097 0.00490 0.00431 -0.00171 -0.00570 11 4YY -0.00296 0.00380 -0.01260 0.01424 0.00372 12 4ZZ 0.00549 -0.00454 0.01065 -0.00732 -0.00758 13 4XY -0.00512 -0.00087 -0.01734 -0.00408 0.01273 14 4XZ -0.00085 -0.00108 -0.01038 0.00332 0.00822 15 4YZ 0.00709 0.00358 0.01785 0.00447 -0.01256 16 2 C 1S -0.05321 0.00197 -0.08213 0.00612 0.05826 17 2S 0.06979 0.01936 0.11824 -0.02139 -0.09932 18 2PX 0.02653 0.06045 -0.03838 0.00367 0.01232 19 2PY 0.06561 -0.00447 0.14428 -0.05468 -0.08912 20 2PZ -0.04210 0.09506 0.04162 0.10296 -0.06145 21 3S 0.94092 -0.20584 1.39941 -0.02882 -0.90704 22 3PX 0.07229 0.07075 -0.08473 0.07735 0.05315 23 3PY 0.13505 0.13380 0.34123 -0.13647 -0.40874 24 3PZ -0.06062 0.15508 0.11267 0.15533 -0.19616 25 4XX 0.00445 -0.00291 -0.00324 -0.00093 0.00385 26 4YY -0.01240 0.00115 -0.00330 -0.00686 0.00909 27 4ZZ 0.00002 0.00156 -0.00752 0.00978 -0.00091 28 4XY -0.00526 0.00180 0.00098 -0.00128 0.00288 29 4XZ 0.00482 -0.00202 0.01416 -0.00432 -0.00506 30 4YZ -0.00065 -0.00023 -0.00260 -0.00343 0.00078 31 3 C 1S 0.00917 -0.00877 0.04940 -0.05265 -0.00977 32 2S -0.00277 0.03108 -0.08308 0.07292 0.00488 33 2PX 0.08522 -0.05148 0.07418 -0.04579 -0.06118 34 2PY 0.00531 0.01102 0.08093 -0.05390 -0.01671 35 2PZ -0.10688 -0.05837 0.01765 -0.22225 0.09951 36 3S -0.16783 -0.01604 -0.80455 0.84831 0.11583 37 3PX 0.30158 -0.12476 0.20447 0.12547 -0.20097 38 3PY 0.11426 -0.18947 0.33403 -0.33040 0.00475 39 3PZ -0.37645 -0.17194 -0.05564 -0.77166 0.29345 40 4XX 0.00692 -0.00251 0.00869 -0.00664 -0.00510 41 4YY -0.00179 -0.00627 -0.01088 -0.00814 0.00360 42 4ZZ -0.00208 0.00757 0.00821 0.00213 -0.00163 43 4XY 0.01066 0.00232 0.00899 0.00094 -0.00207 44 4XZ -0.00370 -0.00066 -0.01061 0.00436 0.00596 45 4YZ -0.02256 0.00263 -0.00418 0.00847 0.01121 46 4 C 1S 0.00918 0.00883 0.04936 0.05265 -0.00980 47 2S -0.00273 -0.03119 -0.08300 -0.07295 0.00492 48 2PX 0.08503 0.05156 0.07418 0.04585 -0.06122 49 2PY -0.00514 0.01095 -0.08090 -0.05389 0.01668 50 2PZ -0.10695 0.05843 0.01750 0.22230 0.09943 51 3S -0.16876 0.01516 -0.80415 -0.84832 0.11638 52 3PX 0.30157 0.12509 0.20470 -0.12520 -0.20091 53 3PY -0.11325 -0.18978 -0.33358 -0.33059 -0.00489 54 3PZ -0.37680 0.17196 -0.05606 0.77173 0.29315 55 4XX 0.00692 0.00252 0.00870 0.00664 -0.00511 56 4YY -0.00179 0.00626 -0.01091 0.00814 0.00360 57 4ZZ -0.00208 -0.00756 0.00822 -0.00213 -0.00163 58 4XY -0.01066 0.00231 -0.00897 0.00094 0.00207 59 4XZ -0.00370 0.00065 -0.01061 -0.00436 0.00597 60 4YZ 0.02256 0.00263 0.00416 0.00846 -0.01121 61 5 C 1S -0.05318 -0.00206 -0.08213 -0.00613 0.05827 62 2S 0.06965 -0.01925 0.11826 0.02138 -0.09933 63 2PX 0.02674 -0.06052 -0.03821 -0.00365 0.01225 64 2PY -0.06543 -0.00468 -0.14429 -0.05469 0.08916 65 2PZ -0.04214 -0.09502 0.04178 -0.10294 -0.06140 66 3S 0.94120 0.20742 1.39913 0.02902 -0.90709 67 3PX 0.07259 -0.07099 -0.08438 -0.07733 0.05290 68 3PY -0.13550 0.13339 -0.34142 -0.13653 0.40886 69 3PZ -0.06047 -0.15493 0.11291 -0.15531 -0.19613 70 4XX 0.00446 0.00290 -0.00325 0.00093 0.00385 71 4YY -0.01242 -0.00115 -0.00330 0.00686 0.00909 72 4ZZ 0.00003 -0.00158 -0.00752 -0.00979 -0.00090 73 4XY 0.00528 0.00180 -0.00098 -0.00128 -0.00289 74 4XZ 0.00480 0.00204 0.01416 0.00433 -0.00507 75 4YZ 0.00065 -0.00023 0.00261 -0.00343 -0.00078 76 6 C 1S 0.01856 -0.01411 0.04066 -0.02842 -0.03020 77 2S -0.02016 0.01920 -0.07484 0.04588 0.02121 78 2PX 0.00212 0.01908 -0.10559 -0.03099 0.03033 79 2PY -0.04399 0.00939 -0.04912 -0.02655 0.04201 80 2PZ 0.03229 0.06892 0.11090 0.08148 -0.06305 81 3S -0.36593 0.28610 -0.67190 0.49549 0.64597 82 3PX -0.07569 0.00225 -0.31253 -0.21443 0.24220 83 3PY -0.16514 0.00617 -0.32895 -0.03570 0.27205 84 3PZ 0.09892 0.18710 0.39048 0.37358 -0.25885 85 4XX -0.00097 -0.00489 0.00430 0.00172 -0.00569 86 4YY -0.00298 -0.00382 -0.01257 -0.01425 0.00371 87 4ZZ 0.00548 0.00455 0.01064 0.00732 -0.00758 88 4XY 0.00511 -0.00085 0.01736 -0.00407 -0.01274 89 4XZ -0.00084 0.00106 -0.01037 -0.00332 0.00821 90 4YZ -0.00709 0.00356 -0.01786 0.00447 0.01256 91 7 H 1S -0.00831 0.00934 -0.03371 -0.00214 0.01653 92 2S 0.13378 0.26990 -0.10329 0.52970 -0.03858 93 8 H 1S -0.07501 0.00941 0.03336 -0.03975 0.02179 94 2S -0.48665 -0.19152 0.49424 -1.31422 0.35484 95 9 H 1S -0.07507 -0.00936 0.03335 0.03975 0.02178 96 2S -0.48701 0.19221 0.49353 1.31437 0.35428 97 10 H 1S -0.00843 -0.00939 -0.03369 0.00213 0.01653 98 2S 0.13080 -0.27009 -0.10272 -0.52972 -0.03841 99 11 O 1S 0.01220 -0.00750 0.00845 0.00839 0.00022 100 2S -0.02479 0.00276 -0.01271 -0.02186 0.00522 101 2PX -0.02659 -0.00413 0.00369 -0.01109 -0.00538 102 2PY -0.05751 0.01765 -0.04851 -0.01740 0.03935 103 2PZ -0.00329 -0.03209 -0.00166 -0.08464 0.01797 104 3S -0.15472 0.17216 -0.11732 -0.09607 -0.06568 105 3PX -0.02821 -0.02081 0.02391 -0.03028 -0.01473 106 3PY -0.10885 0.07417 -0.10136 -0.04551 0.02061 107 3PZ 0.01433 -0.04724 -0.02514 -0.07735 0.03786 108 4XX 0.00470 -0.00600 0.00259 0.00170 0.00338 109 4YY 0.00046 -0.00151 0.00094 -0.00317 -0.00437 110 4ZZ -0.00002 -0.00450 0.00305 0.00013 0.00279 111 4XY -0.00021 0.00246 -0.00181 -0.00031 -0.00072 112 4XZ 0.00425 -0.00156 0.00632 0.00058 -0.00360 113 4YZ -0.00196 0.00321 -0.00068 0.00227 -0.00057 114 12 O 1S 0.01219 0.00751 0.00844 -0.00838 0.00022 115 2S -0.02482 -0.00276 -0.01271 0.02185 0.00521 116 2PX -0.02677 0.00413 0.00366 0.01109 -0.00535 117 2PY 0.05752 0.01770 0.04849 -0.01740 -0.03935 118 2PZ -0.00326 0.03211 -0.00172 0.08464 0.01794 119 3S -0.15446 -0.17233 -0.11712 0.09601 -0.06573 120 3PX -0.02838 0.02080 0.02381 0.03032 -0.01472 121 3PY 0.10879 0.07431 0.10129 -0.04546 -0.02061 122 3PZ 0.01433 0.04721 -0.02522 0.07734 0.03783 123 4XX 0.00469 0.00600 0.00258 -0.00170 0.00338 124 4YY 0.00045 0.00151 0.00094 0.00316 -0.00436 125 4ZZ -0.00003 0.00451 0.00305 -0.00013 0.00279 126 4XY 0.00021 0.00247 0.00181 -0.00031 0.00073 127 4XZ 0.00425 0.00156 0.00632 -0.00058 -0.00360 128 4YZ 0.00196 0.00321 0.00068 0.00227 0.00056 129 13 C 1S -0.02507 -0.00005 -0.06705 -0.00002 -0.06408 130 2S -0.00371 0.00003 0.03924 0.00002 0.05814 131 2PX 0.05433 -0.00018 -0.05311 -0.00001 -0.19204 132 2PY 0.00004 0.27242 -0.00016 -0.17763 -0.00006 133 2PZ 0.32882 -0.00012 -0.14687 -0.00004 0.02314 134 3S 0.65652 0.00111 1.60044 0.00047 1.41658 135 3PX 0.04075 -0.00102 -0.61937 -0.00023 -0.97605 136 3PY 0.00008 1.22588 -0.00099 -0.47798 -0.00046 137 3PZ 1.30468 -0.00013 -0.15772 -0.00005 0.35767 138 4XX 0.00265 -0.00001 0.00383 0.00000 -0.00118 139 4YY -0.01785 0.00001 -0.00538 -0.00001 -0.02308 140 4ZZ 0.01100 -0.00001 -0.00893 0.00001 0.01585 141 4XY 0.00000 0.01743 -0.00001 -0.00254 0.00001 142 4XZ 0.00563 0.00002 0.01063 0.00000 0.00550 143 4YZ 0.00000 -0.02517 0.00002 0.01059 0.00000 144 14 H 1S 0.00918 0.00004 0.05721 0.00002 0.04388 145 2S -0.65834 0.00035 0.20102 0.00026 0.51050 146 15 H 1S 0.08486 -0.00003 -0.04762 0.00002 0.09106 147 2S 1.39655 -0.00086 -1.01209 -0.00021 -0.09130 148 16 C 1S 0.01464 -0.04842 0.00871 0.03572 -0.00941 149 2S -0.00240 0.05919 -0.00116 -0.06468 0.02198 150 2PX -0.07672 0.10701 0.00355 -0.11657 -0.04801 151 2PY -0.02369 0.21259 -0.09559 0.04572 -0.10925 152 2PZ 0.07431 -0.08155 0.04581 -0.02235 0.19152 153 3S -0.39446 1.02088 -0.26371 -0.51207 0.18865 154 3PX -0.39846 0.29806 -0.10306 -0.29548 -0.30591 155 3PY -0.31807 0.81448 -0.59733 0.30693 -0.60632 156 3PZ 0.24436 -0.11183 0.28602 0.28652 0.95185 157 4XX 0.00181 -0.00732 -0.00259 -0.00126 -0.00246 158 4YY 0.01113 0.00888 -0.00170 -0.00061 0.01191 159 4ZZ -0.01199 -0.01039 0.00377 0.00706 -0.01222 160 4XY 0.01388 -0.00733 -0.00377 0.00658 0.00521 161 4XZ 0.00685 0.00204 0.00073 -0.00690 0.01059 162 4YZ -0.00354 0.01932 -0.00643 -0.00546 -0.01629 163 17 H 1S 0.03256 0.09214 0.00214 0.01010 0.01879 164 2S 0.05936 0.53517 -0.37934 0.63110 -0.34751 165 18 C 1S 0.00845 -0.04453 0.01134 -0.00427 0.04189 166 2S -0.01078 0.08841 -0.00816 0.03241 -0.07346 167 2PX -0.03734 -0.07140 0.02363 0.05881 -0.03982 168 2PY 0.00931 0.14015 0.08074 -0.04477 0.07881 169 2PZ 0.10475 0.04169 -0.04694 0.02602 0.09334 170 3S -0.03333 0.58258 -0.34519 -0.46298 -0.96734 171 3PX -0.05148 -0.29831 0.06172 0.02787 -0.10378 172 3PY 0.00471 0.50035 0.24866 -0.47610 0.45054 173 3PZ 0.22506 0.49720 -0.17829 0.25109 0.38940 174 4XX 0.00220 0.00472 0.00040 -0.00075 0.00250 175 4YY 0.00123 -0.02698 0.00674 -0.00041 -0.00267 176 4ZZ 0.00348 0.01354 -0.00647 -0.00517 0.00116 177 4XY 0.00540 0.00342 -0.00070 -0.00058 -0.00828 178 4XZ -0.00476 -0.00910 0.00195 0.00889 -0.00275 179 4YZ 0.01011 -0.01044 0.00619 -0.00206 0.02332 180 19 H 1S -0.02739 0.04072 -0.02451 -0.03374 -0.06705 181 2S -0.29767 -0.30231 0.43848 -0.33660 0.16183 182 20 C 1S 0.01467 0.04844 0.00866 -0.03570 -0.00940 183 2S -0.00242 -0.05920 -0.00111 0.06464 0.02197 184 2PX -0.07688 -0.10708 0.00361 0.11656 -0.04810 185 2PY 0.02344 0.21267 0.09527 0.04585 0.10911 186 2PZ 0.07432 0.08169 0.04573 0.02244 0.19150 187 3S -0.39524 -1.02139 -0.26246 0.51182 0.18865 188 3PX -0.39905 -0.29854 -0.10304 0.29530 -0.30624 189 3PY 0.31719 0.81520 0.59597 0.30758 0.60566 190 3PZ 0.24461 0.11245 0.28614 -0.28596 0.95198 191 4XX 0.00182 0.00733 -0.00260 0.00125 -0.00245 192 4YY 0.01111 -0.00890 -0.00169 0.00063 0.01190 193 4ZZ -0.01198 0.01041 0.00376 -0.00707 -0.01221 194 4XY -0.01390 -0.00731 0.00378 0.00658 -0.00522 195 4XZ 0.00684 -0.00205 0.00073 0.00691 0.01058 196 4YZ 0.00354 0.01932 0.00640 -0.00544 0.01630 197 21 H 1S 0.03256 -0.09215 0.00227 -0.01006 0.01882 198 2S 0.06048 -0.53572 -0.37836 -0.63122 -0.34716 199 22 C 1S 0.00848 0.04455 0.01128 0.00428 0.04189 200 2S -0.01081 -0.08844 -0.00802 -0.03244 -0.07344 201 2PX -0.03721 0.07135 0.02359 -0.05878 -0.03973 202 2PY -0.00939 0.14007 -0.08090 -0.04484 -0.07886 203 2PZ 0.10466 -0.04176 -0.04689 -0.02600 0.09332 204 3S -0.03412 -0.58307 -0.34454 0.46263 -0.96745 205 3PX -0.05116 0.29808 0.06141 -0.02764 -0.10345 206 3PY -0.00466 0.50021 -0.24914 -0.47628 -0.45060 207 3PZ 0.22482 -0.49751 -0.17754 -0.25113 0.38937 208 4XX 0.00221 -0.00472 0.00040 0.00075 0.00249 209 4YY 0.00122 0.02699 0.00671 0.00041 -0.00266 210 4ZZ 0.00348 -0.01355 -0.00645 0.00516 0.00116 211 4XY -0.00540 0.00340 0.00069 -0.00057 0.00829 212 4XZ -0.00475 0.00911 0.00194 -0.00889 -0.00274 213 4YZ -0.01011 -0.01043 -0.00617 -0.00207 -0.02332 214 23 H 1S -0.02738 -0.04076 -0.02446 0.03370 -0.06705 215 2S -0.29706 0.30310 0.43791 0.33674 0.16181 66 67 68 69 70 V V V V V Eigenvalues -- 0.25274 0.26947 0.29518 0.31834 0.33571 1 1 C 1S -0.01297 0.02519 -0.01495 0.03098 -0.01682 2 2S 0.07115 0.00108 0.04974 -0.01401 0.07227 3 2PX -0.06795 -0.02345 0.00342 -0.02490 0.07972 4 2PY 0.11381 -0.02072 -0.12877 0.03391 -0.02477 5 2PZ 0.00261 0.01206 -0.02322 0.02218 -0.12904 6 3S -0.12870 -0.70182 0.32623 -1.09226 -0.34664 7 3PX -0.64416 -0.31973 -0.23738 -0.19797 0.16037 8 3PY 0.34066 0.25269 -0.41967 0.59033 -0.42583 9 3PZ 0.52298 0.36347 0.19723 0.29144 -0.22054 10 4XX 0.01453 0.00705 0.01098 -0.00145 0.00352 11 4YY -0.01973 -0.00307 -0.00552 0.00260 -0.00220 12 4ZZ 0.00892 0.00958 0.00914 0.00471 -0.00088 13 4XY 0.00329 -0.00919 0.02002 -0.01683 -0.00188 14 4XZ -0.01283 -0.01387 -0.01554 -0.00385 0.00513 15 4YZ -0.00084 0.00926 -0.02311 0.02471 0.00528 16 2 C 1S -0.00820 -0.00968 0.02978 0.02474 0.03584 17 2S 0.01788 0.05929 -0.00263 -0.05518 0.01054 18 2PX 0.04405 -0.08559 0.08275 -0.31829 0.05721 19 2PY 0.13843 0.07933 0.11029 -0.00899 -0.00559 20 2PZ 0.08078 0.17333 -0.09225 0.26128 -0.02022 21 3S 0.49501 -0.04043 -0.84288 -0.39780 -1.05657 22 3PX 0.24226 -0.23557 0.46629 -0.94426 0.06480 23 3PY 1.30256 0.88442 1.64218 0.02399 0.52872 24 3PZ 0.22707 0.46137 -0.10636 0.95441 -0.00372 25 4XX -0.01599 -0.00170 -0.00907 0.00182 0.00411 26 4YY 0.02280 -0.00056 0.00541 0.00198 -0.00476 27 4ZZ -0.01462 -0.00171 -0.00626 -0.00258 0.00903 28 4XY 0.00728 0.00066 -0.00023 0.00600 -0.00791 29 4XZ 0.00308 -0.00788 -0.01386 -0.00580 -0.02222 30 4YZ -0.00004 -0.00010 0.00131 -0.00517 0.00633 31 3 C 1S -0.04403 -0.00968 0.00556 -0.05762 0.00988 32 2S 0.09394 0.01515 0.00429 0.04576 0.01900 33 2PX -0.05085 -0.00615 -0.05772 -0.09824 -0.08085 34 2PY 0.19627 -0.06451 -0.08096 -0.08904 -0.12897 35 2PZ -0.05462 -0.01865 -0.03602 0.03780 -0.01784 36 3S 0.42440 0.26987 -0.33123 1.52691 -0.68362 37 3PX 0.43185 0.03373 0.43020 -0.35700 0.04637 38 3PY 0.73274 -0.30971 -0.06544 -0.75775 -0.93057 39 3PZ -0.54575 -0.14253 -0.35826 0.30886 -0.04712 40 4XX 0.00574 -0.00704 0.00851 -0.00634 -0.00190 41 4YY -0.03274 -0.00657 -0.00825 0.00080 0.01585 42 4ZZ 0.01839 0.01241 0.00530 -0.00309 -0.00627 43 4XY -0.00012 -0.00805 -0.00999 -0.03312 0.00575 44 4XZ -0.00948 -0.00107 -0.02143 0.00578 -0.00029 45 4YZ 0.00319 0.01390 0.00441 0.03000 0.00051 46 4 C 1S 0.04402 -0.00967 0.00557 -0.05761 -0.00989 47 2S -0.09394 0.01511 0.00425 0.04575 -0.01900 48 2PX 0.05076 -0.00619 -0.05777 -0.09835 0.08093 49 2PY 0.19631 0.06457 0.08093 0.08903 -0.12887 50 2PZ 0.05467 -0.01862 -0.03603 0.03773 0.01786 51 3S -0.42430 0.27007 -0.33137 1.52646 0.68397 52 3PX -0.43227 0.03314 0.43010 -0.35743 -0.04599 53 3PY 0.73241 0.30976 0.06583 0.75783 -0.93050 54 3PZ 0.54589 -0.14226 -0.35829 0.30841 0.04705 55 4XX -0.00573 -0.00705 0.00850 -0.00638 0.00189 56 4YY 0.03274 -0.00655 -0.00824 0.00084 -0.01585 57 4ZZ -0.01840 0.01240 0.00530 -0.00309 0.00628 58 4XY -0.00015 0.00804 0.01000 0.03311 0.00576 59 4XZ 0.00947 -0.00106 -0.02142 0.00580 0.00029 60 4YZ 0.00320 -0.01390 -0.00443 -0.03000 0.00050 61 5 C 1S 0.00820 -0.00967 0.02978 0.02474 -0.03583 62 2S -0.01793 0.05931 -0.00262 -0.05518 -0.01057 63 2PX -0.04418 -0.08553 0.08287 -0.31828 -0.05728 64 2PY 0.13842 -0.07934 -0.11024 0.00874 -0.00560 65 2PZ -0.08083 0.17333 -0.09224 0.26127 0.02027 66 3S -0.49495 -0.04081 -0.84284 -0.39768 1.05655 67 3PX -0.24328 -0.23505 0.46750 -0.94415 -0.06535 68 3PY 1.30255 -0.88403 -1.64193 -0.02510 0.52884 69 3PZ -0.22719 0.46131 -0.10625 0.95442 0.00396 70 4XX 0.01599 -0.00169 -0.00907 0.00182 -0.00410 71 4YY -0.02279 -0.00057 0.00540 0.00197 0.00475 72 4ZZ 0.01462 -0.00170 -0.00626 -0.00258 -0.00902 73 4XY 0.00731 -0.00066 0.00022 -0.00600 -0.00792 74 4XZ -0.00307 -0.00788 -0.01386 -0.00581 0.02221 75 4YZ -0.00004 0.00010 -0.00132 0.00517 0.00635 76 6 C 1S 0.01296 0.02520 -0.01496 0.03096 0.01682 77 2S -0.07116 0.00106 0.04974 -0.01397 -0.07227 78 2PX 0.06789 -0.02344 0.00332 -0.02486 -0.07972 79 2PY 0.11386 0.02076 0.12876 -0.03398 -0.02486 80 2PZ -0.00259 0.01207 -0.02322 0.02213 0.12904 81 3S 0.12879 -0.70173 0.32639 -1.09211 0.34644 82 3PX 0.64400 -0.31934 -0.23776 -0.19764 -0.16009 83 3PY 0.34114 -0.25279 0.41928 -0.59071 -0.42607 84 3PZ -0.52300 0.36324 0.19724 0.29147 0.22054 85 4XX -0.01454 0.00703 0.01101 -0.00147 -0.00352 86 4YY 0.01973 -0.00305 -0.00555 0.00261 0.00220 87 4ZZ -0.00892 0.00958 0.00914 0.00471 0.00088 88 4XY 0.00326 0.00920 -0.02000 0.01683 -0.00187 89 4XZ 0.01284 -0.01386 -0.01556 -0.00384 -0.00513 90 4YZ -0.00083 -0.00927 0.02310 -0.02471 0.00527 91 7 H 1S 0.05899 -0.00265 0.10356 -0.06976 -0.02975 92 2S -0.24937 -0.06432 -0.49232 0.22236 0.17859 93 8 H 1S 0.04720 0.06457 0.04591 0.06888 -0.01919 94 2S -0.17072 -0.20838 -0.32525 -0.39823 -0.33358 95 9 H 1S -0.04722 0.06457 0.04591 0.06889 0.01921 96 2S 0.17065 -0.20819 -0.32521 -0.39861 0.33350 97 10 H 1S -0.05899 -0.00266 0.10357 -0.06976 0.02973 98 2S 0.24937 -0.06427 -0.49230 0.22245 -0.17851 99 11 O 1S -0.05911 -0.03433 -0.07690 -0.00772 -0.02619 100 2S 0.09242 0.02620 0.06727 0.01148 0.00187 101 2PX 0.01303 0.02890 -0.01223 0.06434 -0.00936 102 2PY 0.11377 0.03246 0.10481 0.02132 0.02667 103 2PZ -0.02656 -0.02407 0.02447 -0.07089 0.01680 104 3S 0.98607 0.72154 1.57243 0.11271 0.66991 105 3PX 0.04003 0.10304 0.03218 0.21449 0.01278 106 3PY 0.40871 0.27133 0.63869 0.05692 0.27272 107 3PZ -0.01260 -0.06637 0.11395 -0.19209 0.04531 108 4XX -0.02355 -0.02322 -0.04470 -0.00270 -0.01846 109 4YY 0.00389 0.00202 0.00078 -0.00038 -0.00394 110 4ZZ -0.02480 -0.02236 -0.04829 -0.00404 -0.02105 111 4XY 0.00405 0.00263 0.00854 -0.00601 0.00791 112 4XZ 0.00665 0.00028 -0.00092 -0.00094 -0.00891 113 4YZ 0.00504 0.00638 0.00309 0.00479 0.00152 114 12 O 1S 0.05912 -0.03431 -0.07691 -0.00774 0.02620 115 2S -0.09242 0.02617 0.06727 0.01149 -0.00185 116 2PX -0.01312 0.02893 -0.01216 0.06434 0.00938 117 2PY 0.11375 -0.03240 -0.10482 -0.02129 0.02668 118 2PZ 0.02656 -0.02407 0.02448 -0.07087 -0.01681 119 3S -0.98624 0.72119 1.57251 0.11303 -0.67007 120 3PX -0.04032 0.10324 0.03264 0.21452 -0.01296 121 3PY 0.40875 -0.27113 -0.63869 -0.05688 0.27276 122 3PZ 0.01261 -0.06638 0.11396 -0.19206 -0.04538 123 4XX 0.02355 -0.02321 -0.04469 -0.00272 0.01846 124 4YY -0.00388 0.00201 0.00077 -0.00037 0.00396 125 4ZZ 0.02480 -0.02235 -0.04829 -0.00405 0.02106 126 4XY 0.00407 -0.00265 -0.00858 0.00601 0.00793 127 4XZ -0.00666 0.00028 -0.00092 -0.00093 0.00890 128 4YZ 0.00504 -0.00638 -0.00309 -0.00479 0.00153 129 13 C 1S -0.00001 0.03835 -0.03750 -0.02888 0.00000 130 2S -0.00001 0.06116 0.02296 -0.01705 -0.00001 131 2PX -0.00001 0.03652 0.01874 -0.11440 -0.00002 132 2PY -0.01072 0.00001 0.00000 -0.00003 0.05300 133 2PZ 0.00000 -0.02388 0.05999 0.07160 0.00001 134 3S 0.00038 -1.48071 0.99226 0.96625 0.00019 135 3PX -0.00015 0.77286 -0.42906 -0.72565 0.00024 136 3PY -0.25765 0.00030 -0.00026 -0.00026 -0.92067 137 3PZ 0.00020 -1.11057 0.61061 0.91019 0.00013 138 4XX -0.00001 0.00939 0.01230 -0.01987 0.00001 139 4YY 0.00000 -0.01080 -0.01197 -0.00162 -0.00002 140 4ZZ 0.00000 0.00698 0.00087 0.01860 0.00000 141 4XY 0.00467 0.00001 0.00001 -0.00001 -0.02536 142 4XZ 0.00000 -0.01651 0.01668 0.00525 -0.00001 143 4YZ 0.01297 -0.00001 0.00000 0.00000 0.02280 144 14 H 1S 0.00001 -0.02731 0.07746 -0.02384 -0.00001 145 2S 0.00007 -0.10339 -0.12784 0.26096 -0.00001 146 15 H 1S 0.00001 0.01246 0.00384 0.10434 0.00002 147 2S 0.00005 -0.32028 0.15116 0.56597 0.00012 148 16 C 1S 0.01581 -0.05956 0.03894 0.03968 0.04105 149 2S 0.00720 0.03302 0.00199 -0.02130 0.04268 150 2PX -0.08973 -0.05569 -0.08494 0.01349 -0.11696 151 2PY -0.00037 0.10733 -0.07842 -0.07538 -0.13506 152 2PZ 0.00813 0.15660 -0.03219 -0.06724 0.14635 153 3S -0.44660 1.87494 -1.04184 -1.24917 -1.48697 154 3PX -0.07739 0.00707 -0.03893 -0.04067 0.02575 155 3PY -0.03625 1.27566 -0.55658 -0.83249 -1.16614 156 3PZ 0.01547 0.78102 -0.15649 -0.17623 -0.52801 157 4XX -0.00270 -0.00840 -0.00602 0.00905 0.00319 158 4YY 0.00282 0.01041 0.01024 0.00050 -0.00032 159 4ZZ 0.00633 -0.00644 0.00687 -0.00605 0.00586 160 4XY -0.00984 -0.00620 -0.00166 0.00896 -0.01063 161 4XZ -0.00451 -0.00668 -0.00002 0.00916 -0.00109 162 4YZ -0.00263 -0.00413 0.00300 -0.00025 0.02427 163 17 H 1S 0.02511 0.02812 0.06483 -0.00634 0.04437 164 2S 0.17965 0.68065 -0.14025 -0.34217 -0.56769 165 18 C 1S 0.01148 0.04227 -0.01006 -0.01458 -0.06946 166 2S -0.00683 -0.01516 0.03163 -0.02762 0.03585 167 2PX 0.01034 -0.03245 -0.01414 -0.03995 0.03864 168 2PY -0.01328 -0.05202 0.00453 0.04234 0.11114 169 2PZ -0.05642 0.08458 -0.07036 0.00528 -0.12046 170 3S -0.16886 -1.28632 0.29855 0.56749 2.99121 171 3PX 0.16814 -0.25487 0.14395 0.14393 0.43295 172 3PY -0.02400 0.25568 0.01592 -0.07330 2.10046 173 3PZ -0.19710 1.04483 -0.40935 -0.54614 -1.17286 174 4XX -0.00169 -0.00434 0.00052 0.00477 -0.00932 175 4YY 0.00578 -0.01457 0.00901 0.00641 -0.00020 176 4ZZ 0.00295 0.02749 -0.00357 -0.01782 0.02103 177 4XY -0.00095 -0.01156 0.00293 0.00409 -0.00279 178 4XZ 0.00560 0.00086 0.00311 -0.00018 -0.00631 179 4YZ 0.00185 0.01113 -0.01100 -0.00457 0.00925 180 19 H 1S 0.00758 -0.00734 0.04302 0.00885 0.01399 181 2S 0.25991 -0.30946 0.24617 0.18027 1.01864 182 20 C 1S -0.01577 -0.05956 0.03893 0.03969 -0.04104 183 2S -0.00725 0.03301 0.00199 -0.02129 -0.04272 184 2PX 0.08976 -0.05562 -0.08501 0.01341 0.11705 185 2PY -0.00029 -0.10735 0.07838 0.07539 -0.13494 186 2PZ -0.00815 0.15653 -0.03220 -0.06720 -0.14643 187 3S 0.44576 1.87522 -1.04169 -1.24947 1.48665 188 3PX 0.07742 0.00786 -0.03929 -0.04122 -0.02511 189 3PY -0.03570 -1.27577 0.55640 0.83258 -1.16601 190 3PZ -0.01565 0.78064 -0.15637 -0.17611 0.52766 191 4XX 0.00271 -0.00840 -0.00602 0.00906 -0.00318 192 4YY -0.00284 0.01041 0.01024 0.00050 0.00030 193 4ZZ -0.00633 -0.00644 0.00687 -0.00604 -0.00586 194 4XY -0.00984 0.00619 0.00164 -0.00896 -0.01063 195 4XZ 0.00452 -0.00668 -0.00002 0.00915 0.00107 196 4YZ -0.00263 0.00413 -0.00299 0.00025 0.02427 197 21 H 1S -0.02511 0.02813 0.06482 -0.00634 -0.04434 198 2S -0.17976 0.68036 -0.14016 -0.34208 0.56750 199 22 C 1S -0.01149 0.04227 -0.01006 -0.01459 0.06945 200 2S 0.00683 -0.01517 0.03161 -0.02761 -0.03586 201 2PX -0.01034 -0.03246 -0.01410 -0.03991 -0.03871 202 2PY -0.01330 0.05203 -0.00453 -0.04241 0.11108 203 2PZ 0.05638 0.08460 -0.07032 0.00526 0.12049 204 3S 0.16923 -1.28643 0.29848 0.56805 -2.99103 205 3PX -0.16803 -0.25462 0.14391 0.14392 -0.43412 206 3PY -0.02410 -0.25587 -0.01565 0.07307 2.10005 207 3PZ 0.19674 1.04482 -0.40926 -0.54633 1.17303 208 4XX 0.00169 -0.00435 0.00053 0.00477 0.00932 209 4YY -0.00578 -0.01454 0.00900 0.00640 0.00019 210 4ZZ -0.00295 0.02748 -0.00357 -0.01781 -0.02103 211 4XY -0.00094 0.01157 -0.00294 -0.00409 -0.00279 212 4XZ -0.00561 0.00087 0.00310 -0.00018 0.00630 213 4YZ 0.00186 -0.01114 0.01100 0.00458 0.00927 214 23 H 1S -0.00757 -0.00735 0.04300 0.00884 -0.01398 215 2S -0.25977 -0.30955 0.24607 0.18047 -1.01857 71 72 73 74 75 V V V V V Eigenvalues -- 0.34534 0.36196 0.37930 0.43084 0.44857 1 1 C 1S -0.06708 0.02626 0.00916 -0.00696 -0.11288 2 2S 0.11368 -0.13159 0.01624 -0.31672 0.03844 3 2PX 0.08268 -0.18301 0.00120 -0.26920 0.05876 4 2PY 0.18426 0.09939 -0.04382 -0.11709 0.15876 5 2PZ -0.07465 0.15415 -0.04388 -0.11172 -0.13720 6 3S 1.59302 0.40997 -0.75949 0.29545 3.68825 7 3PX -0.02692 -0.44442 -0.02456 0.16909 1.24895 8 3PY 1.62976 0.77781 -0.73513 0.17610 1.60342 9 3PZ -0.01761 0.61148 -0.00235 0.09455 -1.35570 10 4XX 0.01203 -0.00126 0.00070 -0.00575 0.01133 11 4YY -0.03687 -0.01332 0.00184 -0.05481 -0.04534 12 4ZZ 0.01415 -0.00184 -0.00369 -0.01408 -0.00369 13 4XY -0.00068 0.00443 0.00013 0.00060 0.00497 14 4XZ -0.00498 -0.00110 0.00404 0.02162 0.02170 15 4YZ -0.00085 -0.00633 0.00057 -0.02110 -0.00531 16 2 C 1S -0.02377 -0.09917 -0.00134 0.00477 0.07622 17 2S 0.03236 0.04344 0.03042 -0.24968 -0.26796 18 2PX 0.11441 0.02657 0.06563 -0.09999 0.13365 19 2PY 0.05268 -0.02684 0.00288 -0.05629 -0.13273 20 2PZ -0.11914 -0.01100 -0.04416 -0.17039 -0.12535 21 3S 0.59570 2.63774 -0.08152 0.42908 -1.02156 22 3PX 0.12312 -0.03387 0.19600 0.07700 0.11036 23 3PY 0.47725 -0.43645 0.40153 -0.09874 -2.43333 24 3PZ 0.05925 -0.05154 -0.12159 0.07287 -0.52306 25 4XX 0.00033 -0.00162 -0.00218 -0.01489 -0.02217 26 4YY 0.00115 -0.01086 -0.00528 -0.00068 0.04156 27 4ZZ -0.00579 -0.00507 0.01099 -0.02841 -0.02254 28 4XY -0.02334 -0.00488 -0.00271 -0.00008 0.00154 29 4XZ 0.00363 0.03763 -0.01204 0.03320 0.02497 30 4YZ 0.02251 -0.00641 -0.00231 0.00218 0.01659 31 3 C 1S 0.09232 0.02306 0.01159 0.00427 -0.07171 32 2S -0.12108 -0.10193 0.01761 -0.17171 -0.01287 33 2PX 0.10776 0.17021 -0.05043 0.03750 0.03550 34 2PY -0.15508 0.09344 -0.05703 -0.04314 0.16254 35 2PZ -0.14768 -0.17503 -0.02241 -0.15243 0.01338 36 3S -1.99445 0.43849 -0.48349 0.12887 2.96214 37 3PX 0.46312 0.61070 0.27681 0.02581 -0.74180 38 3PY -1.39915 0.93039 -0.24866 0.09048 1.99868 39 3PZ -0.63674 -0.56170 -0.24408 0.02009 0.79367 40 4XX -0.00789 0.00200 0.00753 -0.00921 0.00277 41 4YY 0.02734 -0.00490 0.00965 -0.02849 -0.01290 42 4ZZ -0.00722 0.00217 -0.01061 0.01616 0.00615 43 4XY 0.00051 -0.00642 0.00396 -0.01383 -0.00291 44 4XZ -0.00637 -0.00483 -0.00664 0.00921 0.01025 45 4YZ 0.00205 0.00053 0.00064 0.01291 -0.00180 46 4 C 1S -0.09233 -0.02306 -0.01160 0.00427 0.07171 47 2S 0.12108 0.10193 -0.01762 -0.17173 0.01281 48 2PX -0.10771 -0.17030 0.05049 0.03747 -0.03556 49 2PY -0.15514 0.09334 -0.05694 0.04317 0.16253 50 2PZ 0.14763 0.17501 0.02240 -0.15249 -0.01335 51 3S 1.99475 -0.43852 0.48349 0.12938 -2.96206 52 3PX -0.46239 -0.61122 -0.27667 0.02575 0.74074 53 3PY -1.39935 0.92991 -0.24893 -0.09072 1.99925 54 3PZ 0.63650 0.56180 0.24398 0.02023 -0.79328 55 4XX 0.00789 -0.00200 -0.00754 -0.00923 -0.00276 56 4YY -0.02734 0.00488 -0.00966 -0.02848 0.01289 57 4ZZ 0.00723 -0.00216 0.01063 0.01616 -0.00617 58 4XY 0.00054 -0.00643 0.00395 0.01385 -0.00290 59 4XZ 0.00637 0.00483 0.00665 0.00922 -0.01025 60 4YZ 0.00204 0.00054 0.00064 -0.01292 -0.00180 61 5 C 1S 0.02377 0.09916 0.00134 0.00477 -0.07621 62 2S -0.03236 -0.04343 -0.03045 -0.24970 0.26783 63 2PX -0.11451 -0.02658 -0.06565 -0.10001 -0.13353 64 2PY 0.05259 -0.02686 0.00284 0.05624 -0.13279 65 2PZ 0.11914 0.01095 0.04414 -0.17040 0.12538 66 3S -0.59579 -2.63766 0.08155 0.42906 1.02167 67 3PX -0.12361 0.03414 -0.19624 0.07689 -0.10875 68 3PY 0.47701 -0.43640 0.40140 0.09922 -2.43335 69 3PZ -0.05902 0.05147 0.12156 0.07289 0.52293 70 4XX -0.00030 0.00163 0.00218 -0.01490 0.02217 71 4YY -0.00118 0.01085 0.00527 -0.00068 -0.04155 72 4ZZ 0.00580 0.00507 -0.01099 -0.02841 0.02252 73 4XY -0.02334 -0.00489 -0.00271 0.00007 0.00160 74 4XZ -0.00365 -0.03763 0.01205 0.03320 -0.02497 75 4YZ 0.02251 -0.00644 -0.00231 -0.00216 0.01658 76 6 C 1S 0.06709 -0.02626 -0.00917 -0.00697 0.11288 77 2S -0.11368 0.13158 -0.01625 -0.31673 -0.03853 78 2PX -0.08283 0.18293 -0.00119 -0.26930 -0.05887 79 2PY 0.18420 0.09951 -0.04382 0.11687 0.15875 80 2PZ 0.07463 -0.15415 0.04387 -0.11174 0.13726 81 3S -1.59325 -0.40996 0.75954 0.29614 -3.68813 82 3PX 0.02574 0.44391 0.02509 0.16936 -1.25002 83 3PY 1.62967 0.77814 -0.73508 -0.17645 1.60247 84 3PZ 0.01777 -0.61145 0.00230 0.09440 1.35577 85 4XX -0.01203 0.00126 -0.00070 -0.00575 -0.01135 86 4YY 0.03686 0.01332 -0.00184 -0.05482 0.04533 87 4ZZ -0.01415 0.00184 0.00369 -0.01408 0.00369 88 4XY -0.00072 0.00442 0.00013 -0.00057 0.00492 89 4XZ 0.00498 0.00111 -0.00404 0.02160 -0.02169 90 4YZ -0.00084 -0.00633 0.00057 0.02111 -0.00532 91 7 H 1S 0.01385 0.02736 -0.01110 -0.02127 -0.14087 92 2S 0.43348 -0.32623 -0.10045 -0.09207 0.86614 93 8 H 1S 0.03821 0.01686 -0.02215 0.04970 -0.06844 94 2S -0.59689 -0.37129 -0.28876 -0.14586 0.55161 95 9 H 1S -0.03818 -0.01684 0.02217 0.04971 0.06841 96 2S 0.59668 0.37128 0.28870 -0.14588 -0.55154 97 10 H 1S -0.01386 -0.02737 0.01110 -0.02128 0.14088 98 2S -0.43346 0.32625 0.10045 -0.09193 -0.86620 99 11 O 1S -0.00996 0.05218 -0.00789 0.00502 0.03135 100 2S 0.00827 -0.03930 -0.01070 0.03549 0.08630 101 2PX -0.12232 -0.01376 0.00644 -0.01014 0.00538 102 2PY 0.00197 -0.11856 -0.01471 0.03616 0.12626 103 2PZ 0.10874 -0.01596 -0.01675 0.01059 0.03987 104 3S 0.22718 -1.07698 0.29359 -0.23697 -1.42474 105 3PX -0.09442 -0.07428 -0.01227 -0.01942 -0.14729 106 3PY 0.07061 -0.51590 0.09101 -0.09053 -0.38785 107 3PZ 0.09803 -0.04637 0.03023 -0.00553 0.02940 108 4XX -0.00026 0.03053 -0.01121 0.01641 0.05214 109 4YY 0.00082 0.01269 -0.00118 0.00936 -0.00143 110 4ZZ -0.01275 0.02941 -0.00739 0.01628 0.05364 111 4XY 0.01066 -0.00302 0.00428 -0.00732 -0.00310 112 4XZ 0.00230 0.01635 -0.00371 0.00569 0.00684 113 4YZ -0.01065 -0.00403 0.00101 -0.01185 -0.01329 114 12 O 1S 0.00996 -0.05217 0.00789 0.00502 -0.03135 115 2S -0.00827 0.03931 0.01071 0.03552 -0.08629 116 2PX 0.12234 0.01387 -0.00641 -0.01011 -0.00549 117 2PY 0.00206 -0.11854 -0.01472 -0.03618 0.12623 118 2PZ -0.10874 0.01596 0.01674 0.01059 -0.03988 119 3S -0.22703 1.07693 -0.29362 -0.23728 1.42465 120 3PX 0.09442 0.07466 0.01219 -0.01951 0.14761 121 3PY 0.07061 -0.51582 0.09103 0.09061 -0.38771 122 3PZ -0.09806 0.04640 -0.03023 -0.00555 -0.02936 123 4XX 0.00024 -0.03052 0.01120 0.01641 -0.05213 124 4YY -0.00081 -0.01269 0.00119 0.00938 0.00142 125 4ZZ 0.01275 -0.02941 0.00739 0.01629 -0.05363 126 4XY 0.01066 -0.00304 0.00429 0.00733 -0.00314 127 4XZ -0.00229 -0.01634 0.00372 0.00569 -0.00682 128 4YZ -0.01065 -0.00404 0.00101 0.01185 -0.01330 129 13 C 1S 0.00000 0.00000 0.00000 0.00933 0.00000 130 2S 0.00000 0.00001 0.00002 -0.03471 -0.00001 131 2PX 0.00001 -0.00005 -0.00009 -0.02375 -0.00002 132 2PY -0.07833 0.12560 0.26840 -0.00002 0.11966 133 2PZ 0.00001 0.00002 0.00004 -0.02005 0.00001 134 3S 0.00010 0.00004 -0.00015 0.11436 0.00010 135 3PX -0.00017 0.00007 -0.00025 0.11356 -0.00006 136 3PY 0.24439 -0.24885 0.95608 0.00000 0.00579 137 3PZ 0.00017 0.00001 0.00001 0.05323 0.00003 138 4XX -0.00001 0.00000 -0.00001 -0.00260 0.00000 139 4YY 0.00001 0.00000 0.00001 0.01600 0.00001 140 4ZZ 0.00000 0.00000 0.00000 -0.00186 -0.00001 141 4XY 0.00622 0.00166 0.02605 -0.00001 0.00401 142 4XZ 0.00001 0.00000 0.00000 -0.00754 0.00001 143 4YZ -0.01040 0.00606 0.01415 0.00000 -0.00032 144 14 H 1S 0.00000 -0.00001 0.00000 -0.07609 0.00000 145 2S 0.00002 -0.00001 -0.00004 -0.05626 -0.00001 146 15 H 1S 0.00002 0.00000 0.00000 -0.00223 -0.00002 147 2S 0.00012 0.00003 0.00002 0.04683 -0.00001 148 16 C 1S -0.01186 0.02127 0.03308 0.00898 0.00813 149 2S 0.00916 -0.01018 0.03528 -0.06912 -0.05440 150 2PX 0.03721 0.03979 0.13103 0.01947 0.05335 151 2PY 0.04993 -0.02556 0.03711 0.06097 -0.00677 152 2PZ -0.02780 0.00199 -0.17815 -0.11313 -0.09109 153 3S 0.43048 -0.88460 -1.47635 -0.16923 -0.44507 154 3PX -0.08120 0.09543 0.72020 0.08834 0.14937 155 3PY 0.31212 -0.70272 -0.12451 -0.17471 -0.30148 156 3PZ 0.19677 -0.48646 -1.79924 -0.01902 -0.38346 157 4XX -0.00556 0.00017 -0.01037 0.01663 0.00585 158 4YY 0.00402 -0.00624 -0.00781 -0.02113 -0.01189 159 4ZZ 0.00264 0.00020 0.02931 0.00402 -0.00653 160 4XY 0.01424 -0.00437 -0.01187 0.00481 -0.00602 161 4XZ -0.00417 0.00886 -0.00095 0.01107 0.01216 162 4YZ -0.00321 0.01494 0.00637 -0.00745 0.00200 163 17 H 1S -0.01204 0.01242 -0.02792 -0.06679 -0.02439 164 2S 0.14015 -0.33683 -0.17481 0.00306 -0.17442 165 18 C 1S 0.01880 -0.05807 -0.01568 -0.01709 -0.03070 166 2S 0.00150 -0.01609 0.01481 -0.32523 -0.04392 167 2PX -0.01125 0.11053 0.00357 0.28235 0.11047 168 2PY -0.03031 0.10511 -0.23499 -0.11014 0.04927 169 2PZ 0.01117 -0.01996 -0.22682 0.06720 0.03594 170 3S -0.79903 2.12325 0.72101 0.56438 0.92732 171 3PX -0.10473 0.16641 0.36905 -0.20796 0.00501 172 3PY -0.42335 1.10343 -1.37036 0.06851 0.08852 173 3PZ 0.34134 -0.88536 -1.77807 -0.12674 -0.59424 174 4XX 0.00258 -0.00007 -0.00181 0.01834 0.00649 175 4YY 0.00315 -0.01693 0.02209 -0.05287 -0.01698 176 4ZZ -0.00516 0.00108 -0.01211 -0.05044 -0.01238 177 4XY 0.00198 -0.00307 0.00000 0.01182 -0.00442 178 4XZ -0.00153 -0.00391 -0.00413 0.02151 0.00448 179 4YZ -0.00209 0.00189 0.00265 0.02081 -0.00069 180 19 H 1S 0.00682 -0.04683 -0.02361 -0.19950 -0.08304 181 2S -0.20637 0.50775 0.29099 -0.01567 0.14439 182 20 C 1S 0.01188 -0.02126 -0.03309 0.00899 -0.00812 183 2S -0.00917 0.01017 -0.03532 -0.06912 0.05437 184 2PX -0.03724 -0.03981 -0.13106 0.01959 -0.05337 185 2PY 0.04995 -0.02557 0.03700 -0.06095 -0.00685 186 2PZ 0.02773 -0.00204 0.17814 -0.11319 0.09114 187 3S -0.43097 0.88451 1.47693 -0.16968 0.44504 188 3PX 0.08101 -0.09497 -0.72011 0.08831 -0.14910 189 3PY 0.31250 -0.70287 -0.12552 0.17500 -0.30154 190 3PZ -0.19687 0.48635 1.79946 -0.01929 0.38341 191 4XX 0.00554 -0.00016 0.01038 0.01663 -0.00583 192 4YY -0.00400 0.00623 0.00780 -0.02114 0.01185 193 4ZZ -0.00264 -0.00020 -0.02932 0.00402 0.00654 194 4XY 0.01425 -0.00438 -0.01186 -0.00479 -0.00604 195 4XZ 0.00418 -0.00887 0.00094 0.01106 -0.01216 196 4YZ -0.00321 0.01494 0.00638 0.00744 0.00200 197 21 H 1S 0.01209 -0.01242 0.02793 -0.06680 0.02429 198 2S -0.14032 0.33682 0.17487 0.00294 0.17445 199 22 C 1S -0.01881 0.05807 0.01569 -0.01711 0.03070 200 2S -0.00151 0.01603 -0.01484 -0.32526 0.04386 201 2PX 0.01128 -0.11057 -0.00341 0.28238 -0.11046 202 2PY -0.03032 0.10503 -0.23503 0.11028 0.04923 203 2PZ -0.01119 0.02000 0.22680 0.06722 -0.03595 204 3S 0.79936 -2.12321 -0.72140 0.56510 -0.92727 205 3PX 0.10506 -0.16705 -0.36819 -0.20794 -0.00513 206 3PY -0.42316 1.10318 -1.37099 -0.06869 0.08835 207 3PZ -0.34170 0.88551 1.77807 -0.12725 0.59432 208 4XX -0.00258 0.00007 0.00181 0.01836 -0.00649 209 4YY -0.00315 0.01692 -0.02209 -0.05289 0.01697 210 4ZZ 0.00514 -0.00109 0.01210 -0.05045 0.01237 211 4XY 0.00198 -0.00309 0.00002 -0.01177 -0.00444 212 4XZ 0.00154 0.00391 0.00413 0.02152 -0.00448 213 4YZ -0.00209 0.00189 0.00264 -0.02079 -0.00071 214 23 H 1S -0.00680 0.04679 0.02359 -0.19954 0.08295 215 2S 0.20647 -0.50772 -0.29102 -0.01554 -0.14438 76 77 78 79 80 V V V V V Eigenvalues -- 0.48426 0.48558 0.50348 0.51926 0.52831 1 1 C 1S -0.00168 -0.00048 -0.01368 -0.02227 -0.00057 2 2S -0.06885 -0.16090 -0.19655 -0.09448 0.00087 3 2PX -0.10823 0.12875 0.04622 0.29750 0.00864 4 2PY 0.14216 -0.06432 -0.15235 -0.36604 0.01757 5 2PZ 0.10543 0.25919 -0.10582 -0.02193 0.02570 6 3S 1.65784 0.17802 -0.00971 -0.21078 0.37844 7 3PX -0.37006 -0.09062 -0.06111 -0.35700 -0.06389 8 3PY 2.83330 0.05314 0.31705 0.63812 0.62848 9 3PZ 0.64122 -0.20194 0.20184 0.13714 0.11108 10 4XX -0.00280 0.00447 -0.00649 0.01605 0.00184 11 4YY 0.00791 -0.02718 -0.03592 -0.05772 0.00460 12 4ZZ 0.00539 -0.00290 -0.01789 0.00875 0.00115 13 4XY -0.00597 0.02199 -0.01047 0.01659 -0.00270 14 4XZ -0.01560 -0.00044 0.03778 0.01030 -0.00369 15 4YZ 0.00876 -0.01428 0.00024 -0.00214 0.00208 16 2 C 1S 0.01989 0.01133 0.01143 0.00535 -0.00445 17 2S -0.09095 -0.29598 -0.09957 -0.09467 0.04155 18 2PX -0.34843 0.13778 0.17738 0.09124 -0.04556 19 2PY -0.02236 -0.10598 -0.16485 -0.03836 -0.03973 20 2PZ 0.37416 0.18865 0.14975 -0.03273 0.05097 21 3S -0.18333 0.50140 0.26420 0.28020 -0.16185 22 3PX -1.46958 0.01359 -0.40258 -0.14123 -0.43310 23 3PY -0.61845 -0.06978 -0.05382 0.08434 -0.25700 24 3PZ 1.43071 -0.24555 0.01126 0.12220 0.26485 25 4XX 0.00092 -0.02061 0.00280 -0.00806 -0.01050 26 4YY 0.01051 0.00899 -0.00963 0.00255 -0.00853 27 4ZZ -0.01365 -0.02982 0.00792 -0.00366 0.00999 28 4XY 0.02032 0.00486 -0.00647 -0.03173 -0.00925 29 4XZ 0.00698 0.03625 -0.01651 -0.00575 -0.00324 30 4YZ -0.01551 0.00087 0.00062 0.03298 -0.00327 31 3 C 1S -0.04094 -0.00142 -0.00883 0.01125 -0.01079 32 2S 0.11598 -0.20641 0.01481 0.02296 -0.18583 33 2PX -0.10507 0.29147 0.00508 0.06662 -0.16726 34 2PY -0.07522 -0.19758 -0.03872 0.28387 -0.03952 35 2PZ 0.12456 0.09583 0.11059 -0.11297 -0.12677 36 3S 0.27304 -0.09411 0.23585 0.13838 0.80951 37 3PX -1.28930 -0.24055 -0.07396 -0.03902 0.09998 38 3PY -1.74996 0.35724 -0.12535 -0.44461 -0.25324 39 3PZ 0.76870 -0.20254 -0.06492 0.14403 0.66486 40 4XX 0.00228 -0.00676 0.00844 -0.01424 -0.00599 41 4YY -0.01711 -0.04973 0.00779 0.04738 -0.00510 42 4ZZ 0.00876 0.01772 -0.01567 -0.02541 -0.02326 43 4XY -0.01431 -0.00835 0.00052 -0.00945 0.00771 44 4XZ 0.02221 0.02936 0.00812 -0.00160 0.01366 45 4YZ 0.00889 0.01446 0.00199 -0.01034 0.00523 46 4 C 1S 0.04091 -0.00182 -0.00887 0.01126 0.01077 47 2S -0.11802 -0.20524 0.01479 0.02298 0.18574 48 2PX 0.10791 0.29025 0.00489 0.06681 0.16716 49 2PY -0.07314 0.19851 0.03870 -0.28391 -0.03922 50 2PZ -0.12360 0.09698 0.11057 -0.11300 0.12690 51 3S -0.27362 -0.09110 0.23684 0.13804 -0.80935 52 3PX 1.28798 -0.25279 -0.07439 -0.03878 -0.09974 53 3PY -1.75243 -0.34072 0.12545 0.44402 -0.25339 54 3PZ -0.77069 -0.19490 -0.06428 0.14359 -0.66502 55 4XX -0.00231 -0.00676 0.00844 -0.01424 0.00601 56 4YY 0.01659 -0.04987 0.00778 0.04738 0.00507 57 4ZZ -0.00860 0.01781 -0.01567 -0.02540 0.02324 58 4XY -0.01425 0.00851 -0.00052 0.00940 0.00772 59 4XZ -0.02192 0.02957 0.00813 -0.00161 -0.01365 60 4YZ 0.00872 -0.01454 -0.00199 0.01035 0.00522 61 5 C 1S -0.01977 0.01153 0.01145 0.00536 0.00446 62 2S 0.08807 -0.29686 -0.09961 -0.09475 -0.04170 63 2PX 0.34982 0.13440 0.17718 0.09125 0.04566 64 2PY -0.02104 0.10633 0.16499 0.03837 -0.03957 65 2PZ -0.37224 0.19230 0.14993 -0.03297 -0.05084 66 3S 0.18804 0.49941 0.26387 0.28041 0.16215 67 3PX 1.46999 -0.00068 -0.40319 -0.14052 0.43312 68 3PY -0.61655 0.07606 0.05418 -0.08481 -0.25666 69 3PZ -1.43284 -0.23184 0.01156 0.12178 -0.26480 70 4XX -0.00116 -0.02061 0.00279 -0.00809 0.01050 71 4YY -0.01040 0.00909 -0.00961 0.00260 0.00852 72 4ZZ 0.01337 -0.02994 0.00792 -0.00368 -0.00998 73 4XY 0.02028 -0.00508 0.00648 0.03172 -0.00926 74 4XZ -0.00662 0.03631 -0.01651 -0.00572 0.00323 75 4YZ -0.01551 -0.00069 -0.00063 -0.03298 -0.00325 76 6 C 1S 0.00168 -0.00051 -0.01369 -0.02228 0.00057 77 2S 0.06726 -0.16155 -0.19653 -0.09447 -0.00096 78 2PX 0.10925 0.12762 0.04616 0.29724 -0.00858 79 2PY 0.14279 0.06300 0.15235 0.36628 0.01760 80 2PZ -0.10297 0.26015 -0.10575 -0.02199 -0.02571 81 3S -1.65606 0.19444 -0.00869 -0.21155 -0.37846 82 3PX 0.36732 -0.09394 -0.06088 -0.35642 0.06336 83 3PY 2.83297 -0.08069 -0.31827 -0.63716 0.62844 84 3PZ -0.64297 -0.19587 0.20181 0.13691 -0.11099 85 4XX 0.00284 0.00447 -0.00650 0.01606 -0.00184 86 4YY -0.00817 -0.02713 -0.03590 -0.05776 -0.00461 87 4ZZ -0.00543 -0.00285 -0.01788 0.00875 -0.00117 88 4XY -0.00616 -0.02191 0.01049 -0.01655 -0.00269 89 4XZ 0.01560 -0.00060 0.03777 0.01031 0.00371 90 4YZ 0.00891 0.01420 -0.00022 0.00215 0.00208 91 7 H 1S 0.03948 0.06089 -0.15813 -0.06510 0.00638 92 2S 0.25175 -0.09212 0.04288 -0.03305 0.07375 93 8 H 1S -0.07084 -0.00756 -0.09896 -0.00559 -0.01567 94 2S 0.01288 -0.05574 -0.09763 0.01445 0.09780 95 9 H 1S 0.07075 -0.00821 -0.09901 -0.00557 0.01552 96 2S -0.01340 -0.05557 -0.09747 0.01442 -0.09787 97 10 H 1S -0.03893 0.06124 -0.15813 -0.06513 -0.00649 98 2S -0.25260 -0.08958 0.04310 -0.03318 -0.07373 99 11 O 1S 0.00751 0.00284 0.00905 -0.00165 0.00747 100 2S 0.02989 0.05409 -0.00897 0.00960 -0.00619 101 2PX -0.00505 0.01688 0.00660 -0.12127 -0.00021 102 2PY 0.03646 0.05642 -0.01616 0.01893 -0.01655 103 2PZ 0.01640 0.00284 0.01903 0.11687 0.00561 104 3S -0.40718 -0.26799 -0.17381 -0.01315 -0.16358 105 3PX 0.20163 -0.01804 0.02699 0.00339 0.04024 106 3PY -0.12054 -0.09613 -0.09915 -0.00937 -0.06404 107 3PZ -0.24972 0.01809 -0.02459 0.00394 -0.04950 108 4XX 0.01327 0.02456 0.00663 0.01246 0.00457 109 4YY 0.00087 -0.00035 0.00110 -0.00331 0.00907 110 4ZZ 0.01572 0.02429 0.00765 -0.00674 0.00053 111 4XY -0.01339 0.00285 0.01485 0.01629 0.00249 112 4XZ 0.00429 0.01208 -0.00006 0.00087 -0.00117 113 4YZ 0.00948 0.00960 0.00877 -0.01401 0.00152 114 12 O 1S -0.00747 0.00292 0.00906 -0.00165 -0.00747 115 2S -0.02937 0.05441 -0.00897 0.00962 0.00620 116 2PX 0.00522 0.01689 0.00657 -0.12126 0.00025 117 2PY 0.03592 -0.05677 0.01612 -0.01904 -0.01656 118 2PZ -0.01640 0.00300 0.01904 0.11684 -0.00564 119 3S 0.40450 -0.27212 -0.17414 -0.01293 0.16344 120 3PX -0.20170 -0.01620 0.02699 0.00332 -0.04018 121 3PY -0.11972 0.09733 0.09926 0.00930 -0.06399 122 3PZ 0.24984 0.01567 -0.02465 0.00403 0.04947 123 4XX -0.01302 0.02470 0.00666 0.01248 -0.00457 124 4YY -0.00089 -0.00034 0.00106 -0.00333 -0.00907 125 4ZZ -0.01548 0.02446 0.00766 -0.00674 -0.00051 126 4XY -0.01343 -0.00271 -0.01484 -0.01627 0.00249 127 4XZ -0.00418 0.01213 -0.00005 0.00086 0.00117 128 4YZ 0.00938 -0.00968 -0.00877 0.01402 0.00151 129 13 C 1S 0.00006 0.01351 -0.02730 -0.00119 -0.00001 130 2S 0.00001 0.00447 -0.00526 -0.03127 -0.00007 131 2PX -0.00014 -0.04202 0.05036 -0.06250 -0.00008 132 2PY -0.00510 0.00000 -0.00009 0.00004 0.61576 133 2PZ 0.00027 0.05320 -0.06554 -0.03672 0.00004 134 3S -0.00201 -0.41337 0.39175 0.34206 0.00019 135 3PX 0.00158 0.35747 -0.64271 0.00847 -0.00005 136 3PY 0.12690 -0.00043 -0.00017 -0.00006 -0.74368 137 3PZ -0.00187 -0.40847 0.82753 0.17599 0.00011 138 4XX 0.00003 0.00095 0.01355 -0.04532 0.00003 139 4YY -0.00004 -0.00487 -0.03631 0.02743 -0.00001 140 4ZZ 0.00000 0.00205 0.00482 0.01691 -0.00002 141 4XY -0.01516 0.00008 0.00001 -0.00003 -0.00230 142 4XZ -0.00007 -0.01857 0.04032 -0.01399 0.00002 143 4YZ -0.00659 0.00002 0.00001 0.00000 -0.00768 144 14 H 1S -0.00002 -0.01892 0.20581 -0.16394 0.00010 145 2S 0.00005 0.02388 0.08291 0.09515 -0.00006 146 15 H 1S 0.00006 0.01446 0.02886 0.04877 -0.00007 147 2S -0.00045 -0.10825 0.33620 0.01354 0.00007 148 16 C 1S 0.00825 -0.01609 0.03448 -0.00581 -0.02855 149 2S -0.06448 -0.08318 0.01280 0.02339 -0.00578 150 2PX 0.12818 0.16536 0.00358 -0.00164 -0.33406 151 2PY -0.04275 -0.03621 -0.10587 0.09354 0.07973 152 2PZ -0.02709 -0.03904 0.20873 -0.02730 -0.18196 153 3S -0.29410 0.53197 -0.63846 -0.15461 -0.18424 154 3PX -0.00229 -0.25655 0.00268 -0.06753 0.55675 155 3PY -0.06271 0.40455 -0.41935 -0.29295 -0.15014 156 3PZ -0.47777 0.16157 -0.49604 -0.01683 0.48629 157 4XX 0.00477 -0.00475 -0.03065 0.01997 0.04030 158 4YY -0.01242 0.01929 0.00171 -0.02563 -0.04158 159 4ZZ -0.00152 -0.03220 0.03684 -0.00197 -0.03090 160 4XY 0.00787 -0.00821 -0.00521 0.02375 -0.04118 161 4XZ 0.00116 0.01229 0.00245 -0.00595 0.03057 162 4YZ 0.00854 -0.01024 0.03293 -0.00045 0.00681 163 17 H 1S -0.02050 0.05088 0.16712 -0.15301 -0.22890 164 2S -0.09709 0.10590 -0.23921 -0.05232 -0.00397 165 18 C 1S -0.01805 0.00768 -0.01553 0.00184 0.00782 166 2S 0.00027 0.04988 0.11713 -0.06927 -0.15211 167 2PX 0.05367 0.06490 0.18396 -0.18181 -0.21616 168 2PY -0.03247 0.14816 -0.27685 0.04726 0.13849 169 2PZ -0.03393 0.16134 -0.18109 -0.04132 0.08457 170 3S 0.55025 -0.27374 0.21349 0.12128 -0.08053 171 3PX 0.11833 -0.03281 -0.15179 0.17622 0.04349 172 3PY 0.01231 -0.20970 0.34955 0.00180 -0.19118 173 3PZ -0.54576 -0.04405 -0.04147 -0.03455 0.06191 174 4XX 0.00460 -0.01125 0.00904 -0.00309 -0.00202 175 4YY 0.00280 0.02602 -0.01887 -0.00412 -0.03225 176 4ZZ -0.01175 -0.00352 0.02201 -0.00686 0.00179 177 4XY -0.00099 0.00622 0.01129 -0.00805 0.00315 178 4XZ -0.00249 -0.00644 -0.02838 0.00239 0.02355 179 4YZ 0.00144 -0.01785 -0.00998 0.01171 -0.00325 180 19 H 1S -0.02150 0.11382 0.05491 -0.05209 -0.04177 181 2S 0.21172 -0.05510 0.01235 0.08680 -0.10573 182 20 C 1S -0.00840 -0.01600 0.03448 -0.00581 0.02856 183 2S 0.06366 -0.08378 0.01281 0.02338 0.00565 184 2PX -0.12660 0.16650 0.00335 -0.00149 0.33385 185 2PY -0.04238 0.03677 0.10574 -0.09358 0.07987 186 2PZ 0.02669 -0.03934 0.20868 -0.02732 0.18213 187 3S 0.29917 0.52893 -0.63869 -0.15443 0.18401 188 3PX -0.00002 -0.25622 0.00269 -0.06782 -0.55646 189 3PY -0.06673 -0.40413 0.41970 0.29296 -0.15012 190 3PZ 0.47931 0.15682 -0.49589 -0.01651 -0.48660 191 4XX -0.00484 -0.00471 -0.03064 0.01999 -0.04025 192 4YY 0.01261 0.01917 0.00171 -0.02565 0.04149 193 4ZZ 0.00122 -0.03220 0.03681 -0.00198 0.03091 194 4XY 0.00796 0.00812 0.00520 -0.02374 -0.04120 195 4XZ -0.00104 0.01229 0.00249 -0.00595 -0.03056 196 4YZ 0.00863 0.01017 -0.03293 0.00045 0.00680 197 21 H 1S 0.02109 0.05072 0.16701 -0.15303 0.22882 198 2S 0.09801 0.10491 -0.23923 -0.05225 0.00406 199 22 C 1S 0.01812 0.00750 -0.01553 0.00183 -0.00782 200 2S 0.00020 0.04989 0.11707 -0.06930 0.15214 201 2PX -0.05293 0.06551 0.18370 -0.18174 0.21613 202 2PY -0.03386 -0.14781 0.27695 -0.04743 0.13867 203 2PZ 0.03543 0.16094 -0.18099 -0.04123 -0.08459 204 3S -0.55283 -0.26840 0.21366 0.12127 0.08074 205 3PX -0.11874 -0.03174 -0.15153 0.17608 -0.04347 206 3PY 0.01412 0.20965 -0.34960 -0.00178 -0.19122 207 3PZ 0.54538 -0.04938 -0.04162 -0.03441 -0.06195 208 4XX -0.00471 -0.01120 0.00904 -0.00309 0.00201 209 4YY -0.00256 0.02604 -0.01889 -0.00412 0.03225 210 4ZZ 0.01171 -0.00363 0.02202 -0.00687 -0.00177 211 4XY -0.00105 -0.00623 -0.01126 0.00805 0.00314 212 4XZ 0.00243 -0.00647 -0.02838 0.00240 -0.02356 213 4YZ 0.00161 0.01784 0.00996 -0.01170 -0.00327 214 23 H 1S 0.02257 0.11360 0.05490 -0.05215 0.04175 215 2S -0.21228 -0.05301 0.01231 0.08672 0.10571 81 82 83 84 85 V V V V V Eigenvalues -- 0.54428 0.54791 0.56137 0.56699 0.58445 1 1 C 1S 0.01558 -0.01698 -0.01243 0.00847 0.00510 2 2S -0.06362 0.04321 -0.02239 0.11739 0.26391 3 2PX -0.05286 0.21085 0.13583 -0.05389 -0.09310 4 2PY 0.15965 0.01276 -0.06818 0.04998 -0.07278 5 2PZ 0.28558 0.17854 -0.07857 -0.01991 -0.30994 6 3S 0.18243 1.11431 -0.09859 -0.01977 -0.21850 7 3PX 0.12742 0.05825 -0.19569 0.03646 0.06787 8 3PY -0.25731 0.88668 0.12270 -0.14795 0.07192 9 3PZ -0.31408 -0.38024 0.15851 0.00522 0.28804 10 4XX -0.00026 0.01571 -0.00801 -0.00824 0.00448 11 4YY 0.00979 0.01133 -0.00224 0.01883 0.02275 12 4ZZ -0.00539 -0.00642 -0.01445 0.02046 0.03705 13 4XY 0.01275 -0.01530 -0.00430 -0.00069 -0.01100 14 4XZ -0.02247 -0.00734 0.03473 -0.02550 -0.03457 15 4YZ -0.00239 -0.00415 0.00456 -0.01001 -0.01689 16 2 C 1S -0.01764 -0.00518 0.02358 0.00482 0.00432 17 2S -0.05547 0.11844 -0.12836 -0.08578 0.04993 18 2PX 0.06695 0.28180 0.01574 -0.15300 -0.18478 19 2PY -0.00513 -0.13283 -0.11400 0.05221 -0.01502 20 2PZ 0.14261 0.29828 0.01566 0.07132 0.04642 21 3S -0.16622 -0.15047 0.51910 0.13033 0.15112 22 3PX -0.05964 -0.47633 -0.07350 0.41955 0.42036 23 3PY -0.07346 -0.84596 0.00210 0.24536 0.08310 24 3PZ -0.16849 -0.32075 0.09999 -0.14292 -0.19794 25 4XX -0.02805 -0.00385 0.00361 0.00735 0.02138 26 4YY 0.00343 0.00635 -0.00249 -0.00334 -0.01080 27 4ZZ -0.02229 0.01779 0.01504 -0.02053 0.01225 28 4XY 0.00244 -0.00380 0.01244 0.00106 -0.01607 29 4XZ 0.04030 -0.00112 -0.04294 -0.00163 -0.02270 30 4YZ -0.01581 0.00650 -0.01187 -0.00576 0.01347 31 3 C 1S -0.00063 -0.02564 -0.02490 -0.00437 -0.00438 32 2S -0.16207 0.00352 -0.08304 0.05818 -0.08881 33 2PX 0.06418 0.10563 -0.19239 0.18049 0.15746 34 2PY 0.00467 0.02638 -0.28439 -0.07093 -0.05064 35 2PZ -0.13855 -0.00342 0.19715 0.16123 0.13359 36 3S 0.23928 1.05413 0.06029 -0.43053 -0.27398 37 3PX -0.03040 -0.33757 0.21077 -0.16430 -0.19153 38 3PY -0.02175 0.57455 0.36323 0.17303 0.18307 39 3PZ 0.20401 0.46067 -0.20828 -0.40483 -0.28358 40 4XX 0.00487 -0.00229 0.02855 0.00796 -0.00992 41 4YY -0.02372 0.00411 -0.04415 0.00182 -0.01025 42 4ZZ -0.01038 -0.00365 -0.01787 -0.01292 -0.00779 43 4XY -0.01859 0.00204 -0.00703 -0.01505 0.01941 44 4XZ -0.00908 -0.00070 0.03212 0.01176 0.06253 45 4YZ 0.00014 -0.00828 -0.01886 -0.00949 -0.01654 46 4 C 1S -0.00070 0.02566 -0.02490 -0.00439 -0.00438 47 2S -0.16203 -0.00380 -0.08312 0.05825 -0.08882 48 2PX 0.06434 -0.10539 -0.19273 0.18037 0.15746 49 2PY -0.00471 0.02619 0.28430 0.07090 0.05083 50 2PZ -0.13856 0.00310 0.19712 0.16121 0.13356 51 3S 0.24182 -1.05387 0.06027 -0.43041 -0.27364 52 3PX -0.03116 0.33711 0.21098 -0.16397 -0.19155 53 3PY 0.02037 0.57496 -0.36232 -0.17336 -0.18338 54 3PZ 0.20514 -0.46024 -0.20790 -0.40501 -0.28331 55 4XX 0.00485 0.00229 0.02854 0.00795 -0.00991 56 4YY -0.02370 -0.00414 -0.04416 0.00182 -0.01024 57 4ZZ -0.01038 0.00364 -0.01787 -0.01291 -0.00779 58 4XY 0.01861 0.00210 0.00707 0.01505 -0.01942 59 4XZ -0.00908 0.00067 0.03212 0.01175 0.06251 60 4YZ -0.00013 -0.00829 0.01886 0.00950 0.01658 61 5 C 1S -0.01764 0.00512 0.02358 0.00483 0.00432 62 2S -0.05528 -0.11848 -0.12845 -0.08590 0.05001 63 2PX 0.06753 -0.28163 0.01547 -0.15288 -0.18475 64 2PY 0.00542 -0.13312 0.11400 -0.05232 0.01486 65 2PZ 0.14324 -0.29795 0.01552 0.07131 0.04646 66 3S -0.16669 0.14977 0.51899 0.13047 0.15079 67 3PX -0.06078 0.47704 -0.07384 0.41985 0.42029 68 3PY 0.07545 -0.84561 -0.00231 -0.24496 -0.08264 69 3PZ -0.16918 0.32024 0.10060 -0.14312 -0.19795 70 4XX -0.02806 0.00380 0.00362 0.00733 0.02136 71 4YY 0.00346 -0.00635 -0.00251 -0.00332 -0.01078 72 4ZZ -0.02226 -0.01786 0.01503 -0.02054 0.01226 73 4XY -0.00246 -0.00380 -0.01243 -0.00106 0.01610 74 4XZ 0.04029 0.00123 -0.04295 -0.00162 -0.02269 75 4YZ 0.01583 0.00654 0.01185 0.00576 -0.01349 76 6 C 1S 0.01554 0.01703 -0.01243 0.00846 0.00510 77 2S -0.06352 -0.04330 -0.02244 0.11740 0.26390 78 2PX -0.05232 -0.21116 0.13557 -0.05382 -0.09314 79 2PY -0.15975 0.01210 0.06821 -0.05003 0.07275 80 2PZ 0.28594 -0.17785 -0.07871 -0.01991 -0.30992 81 3S 0.18508 -1.11376 -0.09868 -0.01977 -0.21839 82 3PX 0.12750 -0.05837 -0.19556 0.03642 0.06795 83 3PY 0.25538 0.88753 -0.12312 0.14822 -0.07195 84 3PZ -0.31494 0.37945 0.15896 0.00503 0.28800 85 4XX -0.00021 -0.01569 -0.00803 -0.00823 0.00447 86 4YY 0.00980 -0.01130 -0.00225 0.01881 0.02277 87 4ZZ -0.00541 0.00642 -0.01445 0.02046 0.03705 88 4XY -0.01273 -0.01533 0.00428 0.00067 0.01099 89 4XZ -0.02249 0.00727 0.03475 -0.02550 -0.03459 90 4YZ 0.00239 -0.00413 -0.00454 0.01000 0.01687 91 7 H 1S 0.13551 -0.00752 -0.16595 0.11288 0.10361 92 2S -0.03086 0.27178 0.02285 -0.05458 -0.03549 93 8 H 1S 0.03362 -0.07470 -0.18464 -0.13485 -0.19443 94 2S -0.05692 0.24134 0.04671 -0.08453 0.13648 95 9 H 1S 0.03345 0.07481 -0.18458 -0.13489 -0.19436 96 2S -0.05634 -0.24154 0.04672 -0.08458 0.13655 97 10 H 1S 0.13548 0.00796 -0.16599 0.11285 0.10362 98 2S -0.03022 -0.27188 0.02280 -0.05456 -0.03549 99 11 O 1S 0.00511 0.02339 0.00203 -0.01142 -0.00200 100 2S -0.03775 -0.04483 0.03283 0.02860 0.01876 101 2PX 0.03091 0.04812 0.03848 -0.05411 -0.09928 102 2PY 0.00714 -0.02898 0.01694 0.02910 -0.01560 103 2PZ -0.01509 0.06313 -0.05185 -0.01014 0.05809 104 3S -0.01957 -0.55722 -0.16350 0.17907 0.03155 105 3PX -0.00209 -0.03097 0.00451 -0.00226 -0.03408 106 3PY -0.03161 -0.24095 -0.07472 0.09861 0.02240 107 3PZ 0.00225 -0.01748 -0.02517 0.03374 0.03153 108 4XX -0.00048 0.00663 0.00814 -0.00146 -0.00572 109 4YY -0.01598 -0.00937 0.00766 0.00049 0.01710 110 4ZZ -0.00397 0.00232 0.01244 0.00049 0.00459 111 4XY 0.00006 0.01648 -0.00251 -0.01010 -0.00096 112 4XZ 0.00368 0.00642 -0.00100 0.00270 0.00017 113 4YZ 0.01041 0.01494 0.00617 0.00516 -0.00206 114 12 O 1S 0.00516 -0.02338 0.00202 -0.01142 -0.00200 115 2S -0.03783 0.04475 0.03288 0.02862 0.01879 116 2PX 0.03100 -0.04804 0.03850 -0.05407 -0.09928 117 2PY -0.00710 -0.02903 -0.01692 -0.02918 0.01553 118 2PZ -0.01498 -0.06317 -0.05188 -0.01015 0.05809 119 3S -0.02084 0.55739 -0.16345 0.17894 0.03151 120 3PX -0.00215 0.03114 0.00452 -0.00222 -0.03405 121 3PY 0.03212 -0.24096 0.07467 -0.09856 -0.02245 122 3PZ 0.00222 0.01752 -0.02524 0.03378 0.03154 123 4XX -0.00046 -0.00665 0.00815 -0.00147 -0.00571 124 4YY -0.01601 0.00936 0.00769 0.00049 0.01711 125 4ZZ -0.00397 -0.00233 0.01246 0.00050 0.00460 126 4XY -0.00008 0.01648 0.00251 0.01010 0.00093 127 4XZ 0.00371 -0.00643 -0.00100 0.00270 0.00016 128 4YZ -0.01044 0.01490 -0.00616 -0.00515 0.00206 129 13 C 1S -0.00322 0.00000 0.00834 -0.02655 0.02405 130 2S -0.11001 -0.00013 -0.13845 0.15491 -0.19069 131 2PX 0.21444 0.00010 0.36081 -0.31460 0.22037 132 2PY -0.00001 0.08307 -0.00003 -0.00019 0.00020 133 2PZ -0.25925 -0.00030 -0.06542 0.25710 -0.36994 134 3S 0.61469 0.00072 0.08232 -0.07775 0.34430 135 3PX -0.55654 -0.00052 -0.40763 0.58062 -0.29429 136 3PY -0.00019 -0.02468 0.00008 0.00026 -0.00025 137 3PZ 0.89007 0.00112 -0.16130 -0.25239 0.65327 138 4XX -0.03120 -0.00004 0.03387 -0.01922 -0.04062 139 4YY -0.00449 -0.00002 0.02006 0.04725 -0.00862 140 4ZZ 0.04033 0.00006 -0.05780 -0.03573 0.04943 141 4XY 0.00000 -0.01166 0.00001 -0.00003 -0.00001 142 4XZ 0.02654 0.00001 0.04087 0.00754 -0.00699 143 4YZ -0.00001 0.02037 0.00003 0.00002 -0.00001 144 14 H 1S -0.07064 -0.00006 0.06984 -0.07474 -0.03114 145 2S 0.04523 0.00012 -0.12123 -0.06580 0.17300 146 15 H 1S 0.17680 0.00021 -0.15176 -0.25879 0.26524 147 2S 0.20714 0.00025 -0.07837 0.04293 0.02784 148 16 C 1S 0.01214 -0.01016 -0.02083 0.02234 -0.01879 149 2S -0.07145 0.12389 -0.11698 -0.14036 -0.02395 150 2PX -0.07595 -0.11782 -0.12687 0.23724 0.18562 151 2PY 0.04607 -0.02144 0.09453 -0.02327 0.06737 152 2PZ -0.05561 0.21898 -0.09299 0.17533 -0.12967 153 3S -0.53960 0.22164 0.27757 0.41287 -0.04644 154 3PX 0.05779 0.05711 0.30139 -0.50106 -0.37309 155 3PY -0.59552 0.28907 0.03427 -0.04568 -0.08897 156 3PZ -0.19861 -0.12929 0.28209 -0.45200 0.14084 157 4XX 0.02245 -0.00842 0.02509 -0.01236 0.01838 158 4YY -0.04299 0.00735 -0.06932 -0.02893 -0.01522 159 4ZZ -0.00201 0.01430 0.00909 0.03884 -0.02741 160 4XY -0.01432 -0.01848 -0.03005 0.03761 -0.01503 161 4XZ 0.00273 -0.00765 0.01564 -0.03801 0.02667 162 4YZ 0.02959 -0.00025 -0.02706 -0.02161 0.03937 163 17 H 1S -0.00390 0.03768 -0.20865 -0.12323 0.07602 164 2S -0.21986 0.12937 0.18621 -0.00724 -0.03041 165 18 C 1S -0.01299 0.05387 0.00289 -0.01885 0.00485 166 2S -0.30962 0.02827 -0.10839 0.04413 -0.07273 167 2PX -0.29735 -0.12703 -0.13675 -0.08781 -0.10340 168 2PY -0.21647 -0.24117 0.12253 -0.06881 -0.04870 169 2PZ -0.19876 -0.10842 -0.03039 -0.26696 0.06078 170 3S 0.55672 -0.76131 0.07171 0.11074 -0.07596 171 3PX 0.27756 0.04211 -0.02295 0.21250 0.10542 172 3PY 0.31117 -0.21663 -0.23701 0.05886 0.08343 173 3PZ 0.00715 0.45826 0.22931 0.23952 0.01431 174 4XX 0.01451 -0.03968 -0.00335 0.00792 0.01462 175 4YY -0.07192 0.05184 0.00117 0.00423 -0.02110 176 4ZZ -0.01437 0.03245 -0.02555 -0.02718 -0.00078 177 4XY -0.01745 0.00044 -0.03172 -0.01702 0.01364 178 4XZ 0.01945 -0.02017 0.02268 0.01286 -0.01703 179 4YZ -0.00978 -0.00024 0.02396 0.04522 -0.04673 180 19 H 1S -0.08823 0.22792 -0.18130 -0.25049 0.14221 181 2S 0.05645 -0.23294 -0.08442 0.15880 -0.15169 182 20 C 1S 0.01212 0.01019 -0.02084 0.02233 -0.01877 183 2S -0.07118 -0.12389 -0.11709 -0.14029 -0.02393 184 2PX -0.07614 0.11787 -0.12694 0.23726 0.18563 185 2PY -0.04606 -0.02146 -0.09452 0.02330 -0.06725 186 2PZ -0.05521 -0.21881 -0.09336 0.17547 -0.12969 187 3S -0.53935 -0.22303 0.27733 0.41284 -0.04650 188 3PX 0.05757 -0.05749 0.30179 -0.50111 -0.37314 189 3PY 0.59512 0.29046 -0.03420 0.04552 0.08884 190 3PZ -0.19872 0.12850 0.28252 -0.45203 0.14076 191 4XX 0.02242 0.00846 0.02508 -0.01231 0.01836 192 4YY -0.04295 -0.00743 -0.06933 -0.02899 -0.01517 193 4ZZ -0.00199 -0.01431 0.00908 0.03885 -0.02742 194 4XY 0.01441 -0.01847 0.03013 -0.03760 0.01506 195 4XZ 0.00274 0.00765 0.01565 -0.03801 0.02668 196 4YZ -0.02960 -0.00033 0.02704 0.02157 -0.03934 197 21 H 1S -0.00386 -0.03760 -0.20873 -0.12331 0.07609 198 2S -0.21961 -0.12995 0.18614 -0.00712 -0.03047 199 22 C 1S -0.01289 -0.05389 0.00284 -0.01882 0.00485 200 2S -0.30956 -0.02870 -0.10847 0.04408 -0.07268 201 2PX -0.29777 0.12678 -0.13667 -0.08782 -0.10345 202 2PY 0.21677 -0.24059 -0.12286 0.06888 0.04863 203 2PZ -0.19892 0.10804 -0.03034 -0.26686 0.06073 204 3S 0.55533 0.76234 0.07206 0.11070 -0.07592 205 3PX 0.27788 -0.04154 -0.02316 0.21239 0.10555 206 3PY -0.31060 -0.21742 0.23706 -0.05877 -0.08335 207 3PZ 0.00788 -0.45846 0.22903 0.23957 0.01430 208 4XX 0.01442 0.03971 -0.00335 0.00789 0.01463 209 4YY -0.07181 -0.05197 0.00115 0.00428 -0.02113 210 4ZZ -0.01431 -0.03242 -0.02560 -0.02718 -0.00075 211 4XY 0.01750 0.00051 0.03171 0.01702 -0.01361 212 4XZ 0.01941 0.02015 0.02274 0.01286 -0.01706 213 4YZ 0.00978 -0.00021 -0.02394 -0.04520 0.04672 214 23 H 1S -0.08779 -0.22790 -0.18154 -0.25040 0.14222 215 2S 0.05603 0.23306 -0.08427 0.15864 -0.15169 86 87 88 89 90 V V V V V Eigenvalues -- 0.60220 0.61797 0.62439 0.64904 0.65689 1 1 C 1S 0.00983 -0.00511 0.01126 -0.01805 -0.01630 2 2S -0.02506 0.02297 0.06431 -0.00348 -0.16506 3 2PX -0.01202 0.12663 -0.29888 -0.23983 0.05214 4 2PY 0.07191 -0.03961 0.01451 0.10583 0.29861 5 2PZ 0.15561 0.11747 -0.21873 -0.25834 0.35301 6 3S 0.09688 0.38638 -0.08232 0.33351 0.28009 7 3PX 0.01837 -0.01041 0.41908 0.23736 -0.17209 8 3PY -0.12504 0.29748 0.00881 0.72799 -0.07551 9 3PZ -0.21008 -0.30493 0.28451 0.75165 -0.38066 10 4XX 0.00860 -0.00089 -0.00673 -0.00924 0.01460 11 4YY 0.00071 0.01393 0.00551 -0.01469 -0.07393 12 4ZZ 0.00106 -0.00444 0.03069 -0.00053 -0.00601 13 4XY 0.00588 -0.00500 -0.01364 -0.00256 0.00677 14 4XZ -0.02306 -0.00415 -0.03053 0.03179 0.01449 15 4YZ 0.00239 -0.00066 -0.02796 0.01400 -0.01290 16 2 C 1S 0.00640 -0.00505 -0.00776 -0.01621 0.01550 17 2S -0.10533 0.06333 0.02878 0.17517 -0.14563 18 2PX -0.11775 0.07423 0.22222 0.03763 0.13475 19 2PY 0.15948 -0.07523 -0.04057 -0.33179 0.30668 20 2PZ 0.06836 0.07314 0.35350 -0.01936 -0.01905 21 3S -0.32796 -0.17801 -0.28497 0.11279 -0.50663 22 3PX 0.15073 -0.06335 -0.50772 -0.69830 -0.68208 23 3PY 0.12634 -0.29399 0.02134 0.05606 -0.44945 24 3PZ -0.00671 -0.09720 -0.48610 0.38547 0.43509 25 4XX -0.01889 0.00372 -0.01838 0.02705 -0.02158 26 4YY 0.01326 -0.01365 0.00779 -0.05166 0.04917 27 4ZZ -0.02153 0.00249 -0.00519 0.02622 -0.04183 28 4XY 0.00704 -0.00377 -0.01944 -0.01226 0.02878 29 4XZ 0.02295 -0.00767 0.01393 -0.01714 0.03377 30 4YZ -0.00852 0.00492 -0.00028 -0.00600 -0.00273 31 3 C 1S 0.00080 -0.00939 -0.00433 -0.00617 0.01992 32 2S -0.07061 -0.02271 -0.13132 -0.06496 -0.11285 33 2PX -0.06120 0.08480 0.10138 0.02984 -0.12174 34 2PY 0.08433 -0.05326 0.12929 -0.21505 -0.20589 35 2PZ -0.04700 0.02427 -0.05768 0.14848 -0.04701 36 3S 0.26794 0.58508 0.52467 0.71424 0.57841 37 3PX 0.04278 -0.22650 -0.03557 -0.19843 0.05269 38 3PY -0.28087 0.50918 -0.39547 0.11168 -0.36338 39 3PZ -0.06532 0.29855 0.23772 0.35133 0.63384 40 4XX 0.03418 -0.01959 0.00224 -0.02770 -0.01751 41 4YY 0.00114 0.01512 0.00252 0.03457 0.01895 42 4ZZ -0.02808 -0.00386 -0.02758 -0.00807 0.01279 43 4XY -0.03750 0.00310 0.00289 0.01803 -0.00455 44 4XZ -0.00445 -0.00506 0.00765 0.00854 -0.04773 45 4YZ -0.01339 -0.00127 0.00879 -0.00204 0.01308 46 4 C 1S 0.00077 0.00940 -0.00432 0.00616 -0.01992 47 2S -0.07053 0.02290 -0.13124 0.06490 0.11285 48 2PX -0.06125 -0.08494 0.10125 -0.02962 0.12194 49 2PY -0.08463 -0.05306 -0.12926 -0.21495 -0.20578 50 2PZ -0.04703 -0.02414 -0.05765 -0.14839 0.04703 51 3S 0.26806 -0.58594 0.52360 -0.71413 -0.57821 52 3PX 0.04296 0.22632 -0.03545 0.19837 -0.05270 53 3PY 0.28063 0.50864 0.39658 0.11170 -0.36337 54 3PZ -0.06551 -0.29882 0.23739 -0.35130 -0.63381 55 4XX 0.03416 0.01958 0.00227 0.02767 0.01753 56 4YY 0.00113 -0.01513 0.00250 -0.03457 -0.01897 57 4ZZ -0.02806 0.00392 -0.02758 0.00808 -0.01278 58 4XY 0.03753 0.00312 -0.00289 0.01805 -0.00455 59 4XZ -0.00444 0.00506 0.00768 -0.00853 0.04771 60 4YZ 0.01340 -0.00127 -0.00878 -0.00206 0.01310 61 5 C 1S 0.00642 0.00505 -0.00775 0.01621 -0.01547 62 2S -0.10551 -0.06336 0.02868 -0.17515 0.14551 63 2PX -0.11752 -0.07445 0.22203 -0.03722 -0.13488 64 2PY -0.15954 -0.07525 0.04077 -0.33171 0.30632 65 2PZ 0.06843 -0.07370 0.35346 0.01945 0.01908 66 3S -0.32751 0.17873 -0.28442 -0.11260 0.50639 67 3PX 0.15099 0.06422 -0.50794 0.69797 0.68220 68 3PY -0.12605 -0.29389 -0.02218 0.05662 -0.44848 69 3PZ -0.00702 0.09799 -0.48585 -0.38557 -0.43497 70 4XX -0.01891 -0.00368 -0.01841 -0.02705 0.02152 71 4YY 0.01328 0.01363 0.00782 0.05165 -0.04910 72 4ZZ -0.02155 -0.00247 -0.00519 -0.02620 0.04182 73 4XY -0.00708 -0.00382 0.01941 -0.01232 0.02883 74 4XZ 0.02296 0.00763 0.01393 0.01713 -0.03376 75 4YZ 0.00854 0.00492 0.00031 -0.00599 -0.00276 76 6 C 1S 0.00981 0.00509 0.01126 0.01805 0.01629 77 2S -0.02501 -0.02307 0.06427 0.00353 0.16505 78 2PX -0.01174 -0.12614 -0.29917 0.23965 -0.05239 79 2PY -0.07193 -0.03965 -0.01483 0.10602 0.29864 80 2PZ 0.15579 -0.11720 -0.21904 0.25815 -0.35303 81 3S 0.09695 -0.38634 -0.08267 -0.33363 -0.28006 82 3PX 0.01810 0.00953 0.41919 -0.23774 0.17225 83 3PY 0.12520 0.29745 -0.00851 0.72779 -0.07556 84 3PZ -0.21053 0.30463 0.28537 -0.75135 0.38064 85 4XX 0.00862 0.00090 -0.00675 0.00923 -0.01460 86 4YY 0.00070 -0.01394 0.00549 0.01470 0.07393 87 4ZZ 0.00105 0.00439 0.03069 0.00054 0.00601 88 4XY -0.00587 -0.00501 0.01363 -0.00255 0.00672 89 4XZ -0.02305 0.00421 -0.03053 -0.03179 -0.01448 90 4YZ -0.00239 -0.00070 0.02793 0.01400 -0.01291 91 7 H 1S 0.10514 0.00609 0.14211 -0.09980 -0.13609 92 2S -0.02343 0.13958 -0.03302 0.09934 -0.07101 93 8 H 1S -0.10085 0.03127 -0.02678 0.07423 0.19890 94 2S -0.22113 0.25403 -0.09132 0.23298 -0.06300 95 9 H 1S -0.10095 -0.03118 -0.02684 -0.07421 -0.19890 96 2S -0.22117 -0.25379 -0.09166 -0.23290 0.06302 97 10 H 1S 0.10511 -0.00636 0.14205 0.09975 0.13600 98 2S -0.02336 -0.13953 -0.03318 -0.09934 0.07110 99 11 O 1S -0.01506 0.00688 0.00195 0.01851 -0.01037 100 2S 0.00150 -0.01245 -0.00984 -0.00035 0.03126 101 2PX -0.06038 0.04072 -0.00778 0.05857 0.16347 102 2PY 0.06280 -0.02630 -0.00933 -0.13038 0.12305 103 2PZ -0.00972 0.02831 0.10090 -0.01413 -0.06203 104 3S 0.26855 -0.15355 -0.00344 -0.18905 -0.10480 105 3PX 0.05652 -0.03968 0.05162 0.04543 0.06284 106 3PY 0.15022 -0.05967 -0.01387 -0.14991 0.05976 107 3PZ 0.02230 -0.01980 0.03433 -0.07772 -0.06971 108 4XX -0.00020 -0.00041 -0.00286 -0.01515 0.02698 109 4YY -0.02791 0.00960 -0.00974 0.07221 -0.05858 110 4ZZ -0.00959 -0.00417 0.01037 0.01081 0.01029 111 4XY -0.01072 0.00518 0.02251 0.01711 -0.01937 112 4XZ -0.00073 0.00200 0.00259 0.00193 -0.00283 113 4YZ 0.00167 0.00489 0.01495 0.00743 -0.00225 114 12 O 1S -0.01506 -0.00688 0.00195 -0.01850 0.01036 115 2S 0.00148 0.01248 -0.00984 0.00040 -0.03120 116 2PX -0.06030 -0.04065 -0.00784 -0.05840 -0.16355 117 2PY -0.06291 -0.02632 0.00932 -0.13040 0.12280 118 2PZ -0.00971 -0.02847 0.10087 0.01413 0.06203 119 3S 0.26834 0.15339 -0.00335 0.18883 0.10462 120 3PX 0.05656 0.03962 0.05170 -0.04535 -0.06285 121 3PY -0.15006 -0.05957 0.01393 -0.14985 0.05967 122 3PZ 0.02233 0.01973 0.03432 0.07773 0.06971 123 4XX -0.00020 0.00041 -0.00284 0.01514 -0.02694 124 4YY -0.02794 -0.00956 -0.00977 -0.07217 0.05851 125 4ZZ -0.00959 0.00416 0.01038 -0.01078 -0.01026 126 4XY 0.01075 0.00522 -0.02250 0.01717 -0.01944 127 4XZ -0.00072 -0.00200 0.00260 -0.00193 0.00283 128 4YZ -0.00167 0.00491 -0.01495 0.00742 -0.00224 129 13 C 1S 0.00447 0.00002 -0.01790 0.00000 0.00000 130 2S -0.31229 -0.00006 0.05842 0.00006 -0.00005 131 2PX 0.23512 0.00014 0.06772 0.00010 0.00011 132 2PY -0.00006 -0.38684 -0.00028 -0.24656 -0.16968 133 2PZ -0.28243 -0.00024 0.22373 0.00009 -0.00004 134 3S 1.09455 0.00021 -0.38220 -0.00036 0.00019 135 3PX -0.95363 -0.00002 -0.22786 -0.00007 -0.00023 136 3PY -0.00013 0.48113 0.00022 0.70210 0.29956 137 3PZ 1.19653 0.00031 -0.46915 -0.00052 0.00015 138 4XX -0.02371 -0.00001 0.01257 0.00002 -0.00001 139 4YY 0.01333 0.00000 -0.01328 -0.00003 0.00001 140 4ZZ -0.01646 0.00003 -0.02267 0.00001 0.00000 141 4XY -0.00002 0.00383 0.00002 -0.01886 0.00122 142 4XZ 0.02481 -0.00003 0.02292 -0.00003 -0.00001 143 4YZ 0.00003 0.01264 0.00001 0.03406 -0.00146 144 14 H 1S 0.10950 0.00001 -0.00716 -0.00007 0.00001 145 2S 0.18573 0.00000 0.04000 0.00001 0.00006 146 15 H 1S 0.01084 0.00011 -0.06342 0.00000 0.00003 147 2S 0.41478 -0.00002 -0.06822 -0.00027 0.00005 148 16 C 1S -0.02290 0.03432 -0.00617 0.00442 0.01687 149 2S 0.19863 -0.20262 -0.06079 -0.05866 0.06544 150 2PX 0.04271 0.00738 -0.28268 -0.35685 -0.16084 151 2PY 0.26042 -0.09552 -0.08528 -0.10330 0.02539 152 2PZ 0.32257 -0.28752 0.02385 -0.11282 -0.08711 153 3S -0.94903 -0.04262 0.12253 0.54743 -0.31908 154 3PX 0.03225 -0.03915 0.50785 0.64238 0.47765 155 3PY -0.98066 -0.09710 0.22143 0.63127 -0.21893 156 3PZ -0.47953 -0.06046 0.06854 0.17402 -0.00833 157 4XX 0.03087 -0.01175 -0.00321 -0.01246 -0.00548 158 4YY -0.07458 0.01290 -0.01469 0.00959 0.01950 159 4ZZ 0.01472 -0.00332 0.00007 0.01395 0.00599 160 4XY 0.01277 -0.00989 0.00251 -0.01550 0.00688 161 4XZ 0.04136 -0.04081 0.01040 -0.01707 -0.00951 162 4YZ 0.00585 -0.00054 -0.03058 -0.01493 -0.00244 163 17 H 1S -0.24664 0.11716 -0.13039 0.12558 0.06035 164 2S -0.18134 -0.17716 0.12308 0.23263 -0.13847 165 18 C 1S 0.02869 -0.06888 0.00513 0.00464 -0.00617 166 2S 0.14252 0.13863 0.04228 -0.00223 0.01723 167 2PX 0.20475 -0.39575 -0.01148 0.16652 0.16392 168 2PY 0.10901 0.25966 0.16027 -0.13271 -0.03166 169 2PZ 0.15907 -0.23956 0.04339 -0.04019 0.01885 170 3S 0.19203 0.40315 0.05750 -0.41046 0.33658 171 3PX -0.21320 0.80976 -0.09075 -0.48762 -0.31631 172 3PY 0.00697 0.02042 -0.31054 -0.20660 0.11739 173 3PZ -0.32589 -0.21995 -0.03416 0.26135 -0.33344 174 4XX -0.00414 0.03566 -0.01493 -0.00615 -0.00465 175 4YY 0.01735 -0.05318 0.03177 0.01743 0.00527 176 4ZZ 0.06069 -0.02795 -0.00984 -0.01634 0.00264 177 4XY 0.00991 0.00361 -0.02363 -0.00630 -0.00071 178 4XZ -0.06456 0.04708 0.00315 0.02060 0.00493 179 4YZ 0.04781 0.00283 0.01925 0.00129 -0.00447 180 19 H 1S 0.07306 -0.22699 -0.03430 -0.01175 0.00757 181 2S 0.07479 0.41443 -0.02323 -0.17671 0.08535 182 20 C 1S -0.02292 -0.03432 -0.00624 -0.00443 -0.01687 183 2S 0.19873 0.20270 -0.06051 0.05850 -0.06538 184 2PX 0.04290 -0.00691 -0.28288 0.35668 0.16091 185 2PY -0.26066 -0.09575 0.08510 -0.10302 0.02540 186 2PZ 0.32268 0.28729 0.02423 0.11260 0.08703 187 3S -0.94900 0.04276 0.12293 -0.54662 0.31898 188 3PX 0.03155 0.03848 0.50833 -0.64244 -0.47777 189 3PY 0.98121 -0.09701 -0.22187 0.63021 -0.21909 190 3PZ -0.47904 0.06082 0.06885 -0.17333 0.00842 191 4XX 0.03089 0.01176 -0.00318 0.01245 0.00547 192 4YY -0.07459 -0.01287 -0.01474 -0.00956 -0.01950 193 4ZZ 0.01470 0.00330 0.00010 -0.01399 -0.00598 194 4XY -0.01271 -0.00986 -0.00253 -0.01548 0.00690 195 4XZ 0.04139 0.04081 0.01044 0.01708 0.00952 196 4YZ -0.00585 -0.00057 0.03059 -0.01490 -0.00244 197 21 H 1S -0.24676 -0.11684 -0.13056 -0.12554 -0.06034 198 2S -0.18142 0.17705 0.12359 -0.23233 0.13848 199 22 C 1S 0.02873 0.06887 0.00524 -0.00464 0.00617 200 2S 0.14242 -0.13871 0.04204 0.00218 -0.01719 201 2PX 0.20471 0.39555 -0.01068 -0.16655 -0.16393 202 2PY -0.10883 0.26012 -0.15984 -0.13289 -0.03172 203 2PZ 0.15911 0.23956 0.04375 0.04024 -0.01889 204 3S 0.19186 -0.40361 0.05652 0.41018 -0.33665 205 3PX -0.21325 -0.80966 -0.09247 0.48774 0.31627 206 3PY -0.00730 0.01936 0.31063 -0.20610 0.11750 207 3PZ -0.32555 0.22018 -0.03356 -0.26127 0.33357 208 4XX -0.00416 -0.03564 -0.01500 0.00614 0.00465 209 4YY 0.01737 0.05313 0.03189 -0.01743 -0.00527 210 4ZZ 0.06071 0.02797 -0.00983 0.01632 -0.00264 211 4XY -0.00992 0.00352 0.02360 -0.00626 -0.00070 212 4XZ -0.06456 -0.04707 0.00310 -0.02059 -0.00494 213 4YZ -0.04785 0.00287 -0.01924 0.00130 -0.00446 214 23 H 1S 0.07323 0.22711 -0.03400 0.01177 -0.00761 215 2S 0.07458 -0.41450 -0.02394 0.17660 -0.08541 91 92 93 94 95 V V V V V Eigenvalues -- 0.66459 0.67570 0.69243 0.72477 0.72867 1 1 C 1S 0.01502 0.02606 0.00822 0.00163 0.02475 2 2S 0.07839 -0.06438 0.04773 0.13281 -0.09056 3 2PX 0.12769 -0.31335 0.01824 0.08894 0.32955 4 2PY 0.05413 -0.02865 0.01950 -0.12127 -0.21651 5 2PZ 0.02572 -0.17832 0.02214 0.04796 0.12006 6 3S -0.26187 -0.31779 -0.19717 0.20386 -0.20355 7 3PX -0.31040 0.73045 0.00744 0.12342 -0.67672 8 3PY -0.15270 -0.76802 0.00454 0.24207 -0.20790 9 3PZ 0.09810 0.23445 0.04313 -0.34194 -0.29332 10 4XX 0.00192 0.00423 -0.00879 0.04127 0.00257 11 4YY 0.02730 -0.00622 0.01020 -0.00654 0.03864 12 4ZZ -0.00758 0.01632 0.00751 0.00376 -0.03162 13 4XY 0.03047 0.01077 0.01926 0.00610 -0.00098 14 4XZ -0.00535 -0.04125 -0.01068 -0.05160 -0.01383 15 4YZ -0.02180 -0.01048 -0.00816 0.01895 -0.00128 16 2 C 1S -0.04844 0.01151 -0.01405 0.02530 -0.00732 17 2S 0.14688 -0.11140 0.07607 -0.02172 -0.06385 18 2PX -0.20859 0.15828 0.02865 -0.18082 -0.01487 19 2PY -0.60258 0.41736 -0.21596 0.12970 -0.06536 20 2PZ -0.03865 0.21108 0.14074 0.16004 0.07264 21 3S 0.65544 -1.00300 0.04684 0.20745 -0.34204 22 3PX 0.45924 -0.20433 -0.17787 0.44511 0.34209 23 3PY 0.96086 -0.30776 0.44032 -1.01469 0.51382 24 3PZ -0.03087 -0.44419 -0.20566 -0.61008 0.00426 25 4XX 0.02968 -0.04551 0.01852 -0.02024 0.00769 26 4YY -0.09017 0.04740 -0.02690 0.06432 -0.07775 27 4ZZ 0.03646 -0.02673 0.00505 0.01081 0.01363 28 4XY -0.01867 -0.01198 -0.00591 0.01385 -0.01408 29 4XZ -0.00308 0.03607 -0.00024 -0.01657 0.01452 30 4YZ -0.01537 0.01397 -0.01150 0.01763 0.02584 31 3 C 1S 0.00278 0.00268 0.00865 -0.01226 -0.00260 32 2S -0.04939 -0.16093 0.11016 -0.01965 -0.15816 33 2PX -0.08767 0.35185 -0.15393 -0.24378 0.28077 34 2PY 0.00794 0.12321 0.08390 -0.16295 -0.03538 35 2PZ 0.00963 -0.07423 -0.05413 -0.36016 0.06334 36 3S -0.45985 0.06392 -0.15248 -0.48572 0.07543 37 3PX 0.30551 -0.63675 0.26054 0.13123 -0.59344 38 3PY 0.03358 -0.61323 -0.21634 0.58829 0.00078 39 3PZ -0.25519 0.30291 0.06925 0.56403 -0.10496 40 4XX -0.01448 0.00499 -0.00030 0.00605 -0.03365 41 4YY 0.00961 -0.03350 0.03163 -0.02100 0.00025 42 4ZZ -0.01373 0.00215 -0.00784 -0.00812 0.00834 43 4XY -0.02643 -0.00825 -0.01513 0.01817 0.00444 44 4XZ 0.03845 -0.00491 -0.01401 0.03803 0.03840 45 4YZ 0.01728 0.00781 0.02984 -0.00991 -0.00082 46 4 C 1S 0.00277 -0.00268 0.00866 -0.01227 0.00258 47 2S -0.04938 0.16094 0.11009 -0.01990 0.15817 48 2PX -0.08755 -0.35199 -0.15372 -0.24345 -0.28115 49 2PY -0.00813 0.12299 -0.08404 0.16330 -0.03535 50 2PZ 0.00962 0.07428 -0.05405 -0.36000 -0.06381 51 3S -0.46006 -0.06414 -0.15284 -0.48345 -0.07608 52 3PX 0.30548 0.63734 0.26027 0.13041 0.59377 53 3PY -0.03346 -0.61286 0.21669 -0.59042 0.00043 54 3PZ -0.25536 -0.30310 0.06886 0.56426 0.10569 55 4XX -0.01450 -0.00500 -0.00033 0.00601 0.03365 56 4YY 0.00962 0.03350 0.03163 -0.02094 -0.00027 57 4ZZ -0.01373 -0.00215 -0.00784 -0.00812 -0.00835 58 4XY 0.02641 -0.00828 0.01511 -0.01816 0.00445 59 4XZ 0.03848 0.00492 -0.01397 0.03804 -0.03837 60 4YZ -0.01725 0.00780 -0.02985 0.00993 -0.00086 61 5 C 1S -0.04845 -0.01152 -0.01405 0.02533 0.00735 62 2S 0.14693 0.11144 0.07595 -0.02158 0.06382 63 2PX -0.20900 -0.15859 0.02848 -0.18097 0.01467 64 2PY 0.60252 0.41742 0.21584 -0.13003 -0.06540 65 2PZ -0.03859 -0.21104 0.14084 0.16006 -0.07246 66 3S 0.65553 1.00327 0.04681 0.20665 0.34256 67 3PX 0.46014 0.20467 -0.17715 0.44519 -0.34199 68 3PY -0.96075 -0.30798 -0.44048 1.01636 0.51469 69 3PZ -0.03120 0.44409 -0.20598 -0.61020 -0.00500 70 4XX 0.02966 0.04554 0.01851 -0.02019 -0.00769 71 4YY -0.09016 -0.04744 -0.02688 0.06429 0.07781 72 4ZZ 0.03647 0.02674 0.00503 0.01083 -0.01361 73 4XY 0.01879 -0.01190 0.00595 -0.01392 -0.01418 74 4XZ -0.00310 -0.03608 -0.00024 -0.01658 -0.01456 75 4YZ 0.01536 0.01396 0.01149 -0.01769 0.02581 76 6 C 1S 0.01504 -0.02605 0.00824 0.00167 -0.02475 77 2S 0.07846 0.06442 0.04771 0.13284 0.09077 78 2PX 0.12767 0.31341 0.01832 0.08919 -0.32930 79 2PY -0.05388 -0.02847 -0.01939 0.12179 -0.21656 80 2PZ 0.02553 0.17832 0.02219 0.04810 -0.12003 81 3S -0.26213 0.31771 -0.19729 0.20532 0.20358 82 3PX -0.31033 -0.73000 0.00741 0.12338 0.67702 83 3PY 0.15260 -0.76843 -0.00419 -0.24305 -0.20785 84 3PZ 0.09834 -0.23443 0.04288 -0.34296 0.29297 85 4XX 0.00195 -0.00425 -0.00877 0.04128 -0.00252 86 4YY 0.02729 0.00624 0.01019 -0.00644 -0.03865 87 4ZZ -0.00758 -0.01632 0.00751 0.00374 0.03163 88 4XY -0.03049 0.01075 -0.01928 -0.00605 -0.00097 89 4XZ -0.00538 0.04126 -0.01070 -0.05165 0.01377 90 4YZ 0.02180 -0.01044 0.00816 -0.01898 -0.00128 91 7 H 1S 0.18905 0.11060 0.15227 0.11302 0.14326 92 2S -0.20184 -0.22772 -0.04641 0.16358 -0.20030 93 8 H 1S 0.01612 -0.06505 0.12346 -0.16221 0.01108 94 2S -0.10269 -0.04564 -0.10157 0.52535 0.08643 95 9 H 1S 0.01602 0.06506 0.12341 -0.16213 -0.01121 96 2S -0.10264 0.04564 -0.10174 0.52590 -0.08578 97 10 H 1S 0.18913 -0.11053 0.15235 0.11328 -0.14305 98 2S -0.20187 0.22764 -0.04648 0.16384 0.20049 99 11 O 1S 0.02530 -0.02025 0.00464 0.00961 -0.01166 100 2S -0.08841 0.04653 -0.05676 -0.05132 0.12023 101 2PX -0.05783 -0.00260 -0.04860 -0.02244 0.00937 102 2PY -0.25315 0.13038 -0.08631 0.15062 -0.12280 103 2PZ -0.01017 0.10577 0.02775 0.13093 0.09634 104 3S 0.24008 0.11309 0.21891 -0.53268 0.26066 105 3PX -0.05623 0.03538 0.07539 -0.11279 -0.05169 106 3PY -0.13399 0.21072 -0.01048 -0.28316 0.30129 107 3PZ -0.00406 0.04624 0.01285 -0.03107 -0.02072 108 4XX -0.03313 0.00793 -0.01522 -0.00393 0.02599 109 4YY 0.10752 -0.06826 0.02263 -0.07175 0.07918 110 4ZZ -0.03516 0.03818 -0.02994 -0.00466 0.02050 111 4XY 0.01351 0.00326 0.01142 -0.02153 0.00858 112 4XZ 0.00387 -0.00540 0.00640 0.00341 -0.00110 113 4YZ 0.01489 -0.00578 0.01526 -0.00181 -0.00051 114 12 O 1S 0.02531 0.02025 0.00463 0.00961 0.01168 115 2S -0.08842 -0.04653 -0.05671 -0.05119 -0.12029 116 2PX -0.05809 0.00253 -0.04865 -0.02239 -0.00936 117 2PY 0.25315 0.13045 0.08626 -0.15066 -0.12299 118 2PZ -0.01012 -0.10577 0.02782 0.13099 -0.09622 119 3S 0.24017 -0.11300 0.21893 -0.53323 -0.26134 120 3PX -0.05634 -0.03556 0.07531 -0.11312 0.05140 121 3PY 0.13395 0.21072 0.01042 0.28302 0.30174 122 3PZ -0.00401 -0.04623 0.01287 -0.03109 0.02071 123 4XX -0.03312 -0.00794 -0.01519 -0.00393 -0.02601 124 4YY 0.10752 0.06831 0.02261 -0.07169 -0.07925 125 4ZZ -0.03516 -0.03818 -0.02992 -0.00463 -0.02051 126 4XY -0.01365 0.00319 -0.01145 0.02161 0.00865 127 4XZ 0.00389 0.00541 0.00640 0.00343 0.00111 128 4YZ -0.01489 -0.00578 -0.01526 0.00182 -0.00051 129 13 C 1S -0.01594 0.00001 0.04151 -0.00520 0.00001 130 2S 0.09791 0.00000 -0.18359 0.00833 -0.00002 131 2PX -0.09713 0.00002 0.20671 -0.05856 -0.00005 132 2PY -0.00013 -0.03188 0.00008 -0.00035 0.16902 133 2PZ 0.00742 0.00002 0.02529 0.08734 0.00010 134 3S -0.42745 -0.00004 0.76025 -0.54825 -0.00025 135 3PX 0.30029 -0.00004 -0.68824 0.37114 0.00027 136 3PY 0.00028 0.25597 -0.00028 0.00109 -0.41424 137 3PZ -0.07680 -0.00015 -0.06021 -0.60986 -0.00058 138 4XX -0.00048 0.00003 0.05827 0.08429 0.00008 139 4YY -0.01788 -0.00002 0.04667 -0.04364 -0.00003 140 4ZZ 0.01248 -0.00001 -0.07517 -0.05384 -0.00005 141 4XY 0.00001 -0.02787 0.00001 0.00004 -0.01755 142 4XZ 0.02493 -0.00001 -0.01269 0.03849 0.00002 143 4YZ 0.00001 0.01331 0.00001 0.00003 -0.01387 144 14 H 1S -0.07795 0.00002 0.39115 0.18921 0.00018 145 2S -0.13924 -0.00003 0.13576 -0.38404 -0.00022 146 15 H 1S -0.05307 -0.00001 -0.03150 -0.20733 -0.00014 147 2S -0.08369 -0.00007 0.16214 -0.13468 -0.00014 148 16 C 1S 0.00388 -0.00932 -0.00265 0.01302 -0.00126 149 2S -0.12800 -0.11217 0.21787 -0.18171 -0.13054 150 2PX -0.12967 -0.14795 0.36062 0.09099 -0.05821 151 2PY -0.08096 -0.10362 0.17284 -0.28148 0.00909 152 2PZ 0.19766 -0.08561 -0.35432 0.09088 -0.29460 153 3S 0.11035 0.42843 -0.12453 0.40517 0.04677 154 3PX 0.27641 0.21610 -0.45274 0.19501 0.07734 155 3PY 0.07496 0.45288 -0.05917 0.58292 0.05714 156 3PZ -0.38512 0.04898 0.98542 -0.01970 0.46498 157 4XX 0.01498 0.00206 -0.02587 0.00464 0.00803 158 4YY -0.01012 -0.01986 -0.00191 0.02564 -0.01164 159 4ZZ -0.02518 0.00085 0.07030 -0.01698 -0.01131 160 4XY 0.00887 -0.00867 -0.02900 -0.04705 -0.01262 161 4XZ 0.00695 -0.00223 -0.00929 0.00774 0.00174 162 4YZ -0.01351 -0.00411 0.00474 -0.02211 0.02160 163 17 H 1S -0.04168 -0.02308 0.01601 0.02471 0.06061 164 2S -0.03848 0.19105 0.23813 0.09722 0.03801 165 18 C 1S 0.00721 -0.00725 -0.00544 0.00233 -0.01876 166 2S -0.11416 -0.00389 0.19623 -0.17249 0.10345 167 2PX 0.03878 -0.03090 0.12761 0.03369 0.38571 168 2PY 0.02618 -0.05616 -0.00665 -0.01111 0.01101 169 2PZ 0.09215 -0.04073 -0.19194 -0.01139 0.05642 170 3S 0.24759 -0.16716 -0.69601 0.09294 -0.32276 171 3PX -0.00997 -0.05620 -0.20226 -0.01710 -0.62932 172 3PY -0.00161 -0.06999 0.02812 -0.04996 0.17687 173 3PZ -0.24698 0.10963 0.59123 0.08264 -0.41480 174 4XX 0.00037 -0.00046 0.00767 0.00282 0.02160 175 4YY -0.01320 0.00454 0.02820 -0.01860 -0.00035 176 4ZZ 0.00814 -0.01830 -0.02577 -0.00573 -0.02250 177 4XY 0.00704 -0.00409 -0.01828 -0.02061 0.00593 178 4XZ -0.00034 0.01213 0.01352 0.03599 0.01239 179 4YZ 0.02070 0.00401 -0.02343 -0.02888 -0.01436 180 19 H 1S 0.05205 -0.03692 -0.13348 0.07639 0.01882 181 2S 0.10476 -0.01659 -0.14114 -0.09848 0.25595 182 20 C 1S 0.00386 0.00932 -0.00264 0.01303 0.00128 183 2S -0.12801 0.11212 0.21774 -0.18168 0.13036 184 2PX -0.12966 0.14801 0.36070 0.09079 0.05837 185 2PY 0.08089 -0.10357 -0.17257 0.28119 0.00936 186 2PZ 0.19765 0.08543 -0.35442 0.09052 0.29457 187 3S 0.11045 -0.42810 -0.12442 0.40467 -0.04607 188 3PX 0.27624 -0.21635 -0.45276 0.19504 -0.07715 189 3PY -0.07495 0.45257 0.05871 -0.58183 0.05637 190 3PZ -0.38493 -0.04847 0.98533 -0.01903 -0.46443 191 4XX 0.01500 -0.00206 -0.02591 0.00457 -0.00803 192 4YY -0.01015 0.01986 -0.00187 0.02572 0.01167 193 4ZZ -0.02517 -0.00085 0.07029 -0.01700 0.01131 194 4XY -0.00884 -0.00867 0.02899 0.04710 -0.01256 195 4XZ 0.00695 0.00222 -0.00928 0.00773 -0.00176 196 4YZ 0.01351 -0.00410 -0.00477 0.02205 0.02163 197 21 H 1S -0.04174 0.02311 0.01607 0.02502 -0.06056 198 2S -0.03832 -0.19094 0.23802 0.09655 -0.03775 199 22 C 1S 0.00721 0.00725 -0.00546 0.00232 0.01877 200 2S -0.11417 0.00390 0.19627 -0.17221 -0.10358 201 2PX 0.03873 0.03095 0.12766 0.03416 -0.38563 202 2PY -0.02619 -0.05613 0.00672 0.01110 0.01081 203 2PZ 0.09215 0.04068 -0.19192 -0.01140 -0.05647 204 3S 0.24736 0.16689 -0.69597 0.09216 0.32238 205 3PX -0.00992 0.05615 -0.20223 -0.01780 0.62907 206 3PY 0.00167 -0.06998 -0.02833 0.04987 0.17714 207 3PZ -0.24681 -0.10946 0.59094 0.08241 0.41520 208 4XX 0.00038 0.00047 0.00766 0.00282 -0.02161 209 4YY -0.01321 -0.00454 0.02820 -0.01859 0.00035 210 4ZZ 0.00813 0.01829 -0.02577 -0.00571 0.02249 211 4XY -0.00703 -0.00408 0.01826 0.02060 0.00595 212 4XZ -0.00033 -0.01213 0.01351 0.03598 -0.01232 213 4YZ -0.02071 0.00401 0.02345 0.02895 -0.01432 214 23 H 1S 0.05203 0.03691 -0.13352 0.07650 -0.01871 215 2S 0.10473 0.01653 -0.14101 -0.09840 -0.25612 96 97 98 99 100 V V V V V Eigenvalues -- 0.74572 0.75002 0.76837 0.79225 0.80418 1 1 C 1S 0.00608 0.00375 -0.00157 0.02012 0.00081 2 2S 0.00851 0.10297 -0.16089 0.00007 0.24601 3 2PX 0.22338 -0.08727 -0.00600 0.05940 -0.07690 4 2PY 0.08218 -0.12468 0.22981 -0.40600 -0.19158 5 2PZ 0.12613 -0.11293 -0.12086 -0.13625 0.03564 6 3S 0.52194 0.91646 -1.43043 0.74057 -0.85183 7 3PX -0.19527 0.42725 -0.38912 0.06389 0.21138 8 3PY -0.30980 0.90394 -1.47532 1.39529 0.74042 9 3PZ -0.30584 0.03577 0.97417 0.46348 -0.16955 10 4XX 0.02240 -0.00482 -0.01260 -0.02600 0.01454 11 4YY 0.00859 0.03296 -0.05916 0.07512 -0.00751 12 4ZZ -0.02299 0.01814 -0.01319 -0.01165 0.02946 13 4XY -0.00322 0.00040 -0.00398 0.00967 0.02278 14 4XZ -0.03153 -0.02153 0.04260 -0.01110 -0.02642 15 4YZ 0.02894 -0.00198 0.00012 -0.00797 -0.02588 16 2 C 1S 0.00279 0.02589 -0.02361 0.02092 0.01978 17 2S 0.14678 0.00514 -0.35885 -0.10715 0.02491 18 2PX -0.15851 0.02229 0.24268 0.16256 -0.03918 19 2PY 0.15889 0.15860 -0.15000 -0.01930 -0.14393 20 2PZ 0.10398 0.06801 0.24173 0.13380 -0.05081 21 3S -0.74660 0.52903 1.12714 1.76049 1.20866 22 3PX 0.55506 -0.02368 -0.12019 -0.49655 -0.12864 23 3PY -0.06779 -1.19424 1.78568 -0.42815 -0.77236 24 3PZ -0.22334 -0.30446 -0.53692 -0.45944 0.11071 25 4XX 0.00067 0.01309 -0.00120 -0.00076 -0.00990 26 4YY -0.01763 0.04690 -0.09096 0.09720 0.14337 27 4ZZ 0.02050 -0.00251 -0.00542 -0.02294 -0.04094 28 4XY 0.00322 0.00866 -0.01421 0.02359 0.03306 29 4XZ -0.01008 -0.03347 0.01697 -0.03629 -0.01155 30 4YZ 0.00718 0.01100 -0.02803 -0.00014 0.01767 31 3 C 1S -0.01508 0.00985 0.01682 0.00365 -0.00789 32 2S -0.01935 -0.06912 -0.05242 0.05179 0.19794 33 2PX 0.12763 0.08910 -0.08170 -0.36243 0.03849 34 2PY 0.04218 -0.54492 -0.03437 0.07005 -0.15931 35 2PZ 0.11687 0.16702 0.11416 0.04218 0.13457 36 3S 0.14998 1.86267 -1.43261 0.11993 -0.29950 37 3PX -0.08174 -0.23480 0.86032 1.41159 0.02574 38 3PY -0.13175 2.24885 -0.57979 0.27827 0.48377 39 3PZ -0.12201 -0.03359 -0.93843 -0.14263 -0.05728 40 4XX -0.01973 -0.03084 -0.00393 -0.00253 -0.01864 41 4YY 0.00830 0.09112 -0.00474 -0.01152 -0.01503 42 4ZZ -0.00609 -0.01526 -0.01733 0.01009 0.04136 43 4XY 0.03211 -0.00040 -0.00747 -0.01231 -0.03595 44 4XZ 0.03391 -0.01593 0.02984 -0.02268 -0.04518 45 4YZ -0.01485 0.00067 -0.00535 0.00854 0.02579 46 4 C 1S -0.01509 -0.00986 -0.01681 -0.00365 -0.00789 47 2S -0.01936 0.06919 0.05237 -0.05173 0.19787 48 2PX 0.12770 -0.08903 0.08183 0.36250 0.03822 49 2PY -0.04207 -0.54470 -0.03440 0.07034 0.15939 50 2PZ 0.11664 -0.16740 -0.11401 -0.04208 0.13466 51 3S 0.15092 -1.86357 1.43296 -0.12001 -0.29887 52 3PX -0.08242 0.23377 -0.86016 -1.41195 0.02681 53 3PY 0.13134 2.24807 -0.58010 0.27725 -0.48426 54 3PZ -0.12094 0.03446 0.93802 0.14257 -0.05741 55 4XX -0.01969 0.03083 0.00394 0.00253 -0.01870 56 4YY 0.00827 -0.09114 0.00474 0.01149 -0.01498 57 4ZZ -0.00609 0.01528 0.01733 -0.01007 0.04136 58 4XY -0.03214 -0.00033 -0.00745 -0.01229 0.03596 59 4XZ 0.03389 0.01596 -0.02986 0.02266 -0.04517 60 4YZ 0.01487 0.00067 -0.00540 0.00853 -0.02582 61 5 C 1S 0.00280 -0.02586 0.02359 -0.02092 0.01980 62 2S 0.14698 -0.00513 0.35875 0.10708 0.02474 63 2PX -0.15848 -0.02256 -0.24249 -0.16258 -0.03913 64 2PY -0.15908 0.15854 -0.15005 -0.01931 0.14391 65 2PZ 0.10390 -0.06785 -0.24186 -0.13381 -0.05078 66 3S -0.74763 -0.52843 -1.12700 -1.75995 1.21021 67 3PX 0.55488 0.02493 0.11851 0.49668 -0.12975 68 3PY 0.06914 -1.19308 1.78516 -0.42750 0.77250 69 3PZ -0.22319 0.30364 0.53738 0.45953 0.11070 70 4XX 0.00067 -0.01311 0.00123 0.00072 -0.00986 71 4YY -0.01761 -0.04680 0.09090 -0.09711 0.14338 72 4ZZ 0.02050 0.00252 0.00541 0.02292 -0.04096 73 4XY -0.00319 0.00867 -0.01428 0.02367 -0.03320 74 4XZ -0.01008 0.03343 -0.01693 0.03630 -0.01155 75 4YZ -0.00720 0.01101 -0.02803 -0.00013 -0.01769 76 6 C 1S 0.00609 -0.00375 0.00157 -0.02012 0.00082 77 2S 0.00857 -0.10281 0.16082 0.00000 0.24601 78 2PX 0.22337 0.08741 0.00572 -0.05918 -0.07696 79 2PY -0.08192 -0.12448 0.22980 -0.40594 0.19182 80 2PZ 0.12614 0.11296 0.12082 0.13624 0.03550 81 3S 0.52269 -0.91631 1.43007 -0.74101 -0.85149 82 3PX -0.19506 -0.42765 0.39011 -0.06473 0.21170 83 3PY 0.30905 0.90334 -1.47507 1.39484 -0.74140 84 3PZ -0.30622 -0.03607 -0.97398 -0.46346 -0.16894 85 4XX 0.02240 0.00485 0.01259 0.02600 0.01455 86 4YY 0.00863 -0.03297 0.05915 -0.07513 -0.00749 87 4ZZ -0.02298 -0.01812 0.01320 0.01166 0.02945 88 4XY 0.00323 0.00042 -0.00402 0.00973 -0.02277 89 4XZ -0.03154 0.02148 -0.04257 0.01109 -0.02644 90 4YZ -0.02896 -0.00198 0.00012 -0.00795 0.02587 91 7 H 1S 0.07487 0.04064 -0.04803 0.10980 0.15292 92 2S -0.10850 0.23882 -0.64052 0.14844 0.35218 93 8 H 1S -0.13736 0.05205 -0.05921 0.10641 0.17315 94 2S 0.04463 0.35511 -0.50542 -0.35625 -0.06854 95 9 H 1S -0.13735 -0.05218 0.05937 -0.10629 0.17326 96 2S 0.04510 -0.35442 0.50496 0.35609 -0.06875 97 10 H 1S 0.07492 -0.04052 0.04799 -0.10968 0.15301 98 2S -0.10821 -0.23860 0.64048 -0.14832 0.35215 99 11 O 1S -0.00820 0.00388 -0.01685 0.01157 0.02384 100 2S 0.04807 0.07096 0.15120 -0.01867 -0.19511 101 2PX -0.01766 0.04748 0.08055 0.03618 0.02656 102 2PY -0.04017 0.12959 -0.19814 0.17461 0.32265 103 2PZ 0.07740 -0.03964 0.01655 0.13500 -0.00427 104 3S 0.14833 -0.77569 0.53602 -0.65102 -0.57002 105 3PX -0.06543 -0.03970 0.06236 -0.02665 -0.09458 106 3PY 0.20938 -0.23902 0.42506 -0.48585 -0.83564 107 3PZ -0.01289 0.02316 0.08780 -0.04753 -0.07155 108 4XX 0.00728 0.01343 0.03955 0.01345 -0.05414 109 4YY 0.01721 -0.02916 0.08306 -0.06884 -0.11782 110 4ZZ 0.01634 0.03071 0.04521 -0.01030 -0.05737 111 4XY -0.00974 -0.01442 0.01855 0.00092 -0.01320 112 4XZ -0.01483 0.02643 0.00145 0.02226 0.02711 113 4YZ 0.00354 -0.00095 0.02881 -0.00616 -0.01361 114 12 O 1S -0.00819 -0.00386 0.01684 -0.01156 0.02384 115 2S 0.04802 -0.07106 -0.15121 0.01857 -0.19508 116 2PX -0.01772 -0.04758 -0.08046 -0.03632 0.02684 117 2PY 0.04010 0.12936 -0.19813 0.17446 -0.32275 118 2PZ 0.07741 0.03972 -0.01668 -0.13499 -0.00421 119 3S 0.14808 0.77502 -0.53572 0.65080 -0.57054 120 3PX -0.06528 0.03975 -0.06253 0.02699 -0.09520 121 3PY -0.20930 -0.23851 0.42490 -0.48547 0.83589 122 3PZ -0.01292 -0.02316 -0.08775 0.04751 -0.07161 123 4XX 0.00725 -0.01342 -0.03958 -0.01348 -0.05414 124 4YY 0.01719 0.02905 -0.08301 0.06879 -0.11784 125 4ZZ 0.01633 -0.03074 -0.04522 0.01027 -0.05736 126 4XY 0.00974 -0.01443 0.01857 0.00086 0.01326 127 4XZ -0.01483 -0.02641 -0.00146 -0.02224 0.02713 128 4YZ -0.00354 -0.00098 0.02881 -0.00617 0.01364 129 13 C 1S -0.01859 0.00000 0.00000 -0.00001 -0.00943 130 2S 0.13013 0.00000 -0.00001 0.00006 0.08418 131 2PX 0.04211 -0.00019 0.00004 0.00005 -0.14494 132 2PY 0.00004 0.36237 0.02822 -0.26247 0.00000 133 2PZ 0.13101 0.00001 0.00000 -0.00012 -0.23193 134 3S -0.37901 -0.00013 0.00019 -0.00007 0.10068 135 3PX -0.34018 0.00076 -0.00017 -0.00024 0.15508 136 3PY -0.00031 -1.31870 -0.14980 0.49407 0.00004 137 3PZ -0.34944 -0.00035 0.00021 0.00053 0.84412 138 4XX -0.03459 0.00001 -0.00003 -0.00003 -0.01959 139 4YY 0.01733 0.00002 0.00003 0.00004 0.05045 140 4ZZ 0.00312 -0.00002 0.00001 -0.00002 -0.02096 141 4XY -0.00001 0.05318 0.03408 0.03140 -0.00004 142 4XZ 0.02425 0.00001 0.00000 0.00002 0.00553 143 4YZ 0.00000 -0.01548 -0.00238 -0.00760 0.00002 144 14 H 1S -0.14981 0.00006 0.00001 0.00002 -0.06543 145 2S 0.29928 -0.00024 0.00013 -0.00004 -0.19464 146 15 H 1S 0.12414 -0.00009 0.00002 -0.00001 -0.06231 147 2S -0.13578 -0.00009 0.00011 0.00040 0.60726 148 16 C 1S 0.00841 0.00970 -0.00439 0.01903 -0.00285 149 2S -0.24109 0.21580 0.03528 0.00598 0.09901 150 2PX -0.30561 0.12344 0.15304 -0.06536 -0.21210 151 2PY -0.08637 0.27184 0.11856 0.08086 0.10327 152 2PZ -0.34431 -0.02767 0.18467 -0.02231 -0.08094 153 3S 0.91423 -0.51983 -0.56504 -0.88925 0.01768 154 3PX 0.54476 -0.66102 -0.25175 0.56512 0.08698 155 3PY 0.18813 -0.80786 -0.32005 -0.85721 -0.35489 156 3PZ 0.81553 0.31572 -0.34275 -0.25938 0.02021 157 4XX -0.00244 -0.03546 -0.01351 -0.00655 -0.00173 158 4YY -0.03513 0.05950 0.01414 0.00550 -0.02510 159 4ZZ 0.02967 -0.00394 -0.01771 0.00127 0.02854 160 4XY 0.01443 -0.03585 0.01304 0.02610 0.01503 161 4XZ -0.01093 -0.00651 0.03484 0.01875 -0.03214 162 4YZ 0.01039 0.03267 -0.02293 -0.04075 0.00709 163 17 H 1S -0.04809 0.19196 -0.03813 -0.03311 -0.03713 164 2S 0.03721 -0.47103 -0.10698 -0.39071 -0.13082 165 18 C 1S -0.01366 0.00892 -0.00710 -0.02272 0.00911 166 2S 0.17341 0.17352 -0.04208 0.14421 0.22712 167 2PX 0.35901 -0.01001 -0.05130 0.07873 0.03841 168 2PY -0.15911 0.14804 0.28138 -0.03851 -0.00482 169 2PZ -0.11523 -0.04447 0.22632 0.30183 -0.11853 170 3S -0.86278 -0.72050 -0.01456 0.86755 -0.28843 171 3PX -0.62152 0.07559 0.12521 -0.01304 -0.11260 172 3PY 0.33884 -0.45599 -0.68938 0.76031 0.08748 173 3PZ 0.35817 0.43186 -0.51918 -1.66221 0.17081 174 4XX 0.03669 -0.00028 0.01048 0.02082 -0.00554 175 4YY 0.01098 -0.02197 -0.04348 0.01795 0.02157 176 4ZZ -0.04375 0.04225 0.01488 0.00586 0.02165 177 4XY 0.02782 0.00661 -0.00705 -0.00147 0.03030 178 4XZ 0.00253 -0.01333 -0.02125 -0.01384 -0.02356 179 4YZ -0.01140 -0.02187 0.00746 0.00775 0.00557 180 19 H 1S -0.07341 0.03862 -0.10852 -0.10349 0.06248 181 2S 0.03110 -0.33461 0.02507 0.97310 -0.06861 182 20 C 1S 0.00840 -0.00969 0.00438 -0.01903 -0.00283 183 2S -0.24106 -0.21593 -0.03511 -0.00594 0.09898 184 2PX -0.30572 -0.12348 -0.15308 0.06517 -0.21206 185 2PY 0.08645 0.27197 0.11828 0.08091 -0.10354 186 2PZ -0.34431 0.02775 -0.18452 0.02228 -0.08104 187 3S 0.91412 0.52019 0.56440 0.88940 0.01725 188 3PX 0.54520 0.66156 0.25175 -0.56461 0.08693 189 3PY -0.18847 -0.80785 -0.31935 -0.85755 0.35576 190 3PZ 0.81523 -0.31576 0.34219 0.25916 0.02040 191 4XX -0.00240 0.03549 0.01349 0.00653 -0.00172 192 4YY -0.03516 -0.05950 -0.01413 -0.00550 -0.02511 193 4ZZ 0.02968 0.00393 0.01771 -0.00125 0.02854 194 4XY -0.01442 -0.03575 0.01305 0.02611 -0.01502 195 4XZ -0.01093 0.00649 -0.03483 -0.01874 -0.03213 196 4YZ -0.01041 0.03266 -0.02296 -0.04078 -0.00711 197 21 H 1S -0.04814 -0.19190 0.03814 0.03302 -0.03707 198 2S 0.03747 0.47107 0.10675 0.39076 -0.13124 199 22 C 1S -0.01367 -0.00892 0.00710 0.02273 0.00909 200 2S 0.17342 -0.17369 0.04214 -0.14402 0.22718 201 2PX 0.35896 0.00994 0.05097 -0.07863 0.03844 202 2PY 0.15938 0.14809 0.28137 -0.03854 0.00495 203 2PZ -0.11515 0.04451 -0.22626 -0.30207 -0.11843 204 3S -0.86276 0.72046 0.01498 -0.86772 -0.28785 205 3PX -0.62134 -0.07531 -0.12449 0.01243 -0.11255 206 3PY -0.33917 -0.45606 -0.68941 0.76013 -0.08829 207 3PZ 0.35772 -0.43189 0.51879 1.66279 0.17007 208 4XX 0.03673 0.00028 -0.01050 -0.02083 -0.00550 209 4YY 0.01095 0.02196 0.04348 -0.01793 0.02156 210 4ZZ -0.04376 -0.04226 -0.01486 -0.00584 0.02164 211 4XY -0.02781 0.00661 -0.00708 -0.00150 -0.03031 212 4XZ 0.00253 0.01336 0.02123 0.01382 -0.02356 213 4YZ 0.01140 -0.02180 0.00745 0.00777 -0.00558 214 23 H 1S -0.07343 -0.03850 0.10847 0.10359 0.06243 215 2S 0.03128 0.33453 -0.02493 -0.97343 -0.06808 101 102 103 104 105 V V V V V Eigenvalues -- 0.81544 0.82130 0.82603 0.82684 0.83926 1 1 C 1S 0.00137 -0.01213 0.00435 0.00340 0.00944 2 2S 0.19175 0.00756 -0.11660 0.00021 -0.12821 3 2PX 0.03775 -0.10430 0.08756 0.08655 0.11859 4 2PY -0.04319 0.07686 0.12386 0.11559 0.04830 5 2PZ -0.00457 0.02797 -0.12371 -0.05458 -0.17558 6 3S -0.27405 -0.39488 0.54846 -0.38754 -0.67519 7 3PX 0.02536 0.27469 -0.09694 -0.38441 -0.67470 8 3PY 0.11972 -0.48892 -0.40311 -0.56788 -0.32918 9 3PZ 0.00483 -0.02345 0.27148 0.33208 0.98534 10 4XX -0.00298 -0.01162 -0.03579 0.00567 -0.01750 11 4YY 0.01521 -0.01277 0.00092 -0.02543 -0.01973 12 4ZZ 0.01174 0.01008 0.01116 0.00540 -0.00867 13 4XY 0.01077 -0.00465 0.03227 0.00121 0.00979 14 4XZ -0.01183 0.02321 0.00767 -0.00709 0.01273 15 4YZ 0.00959 0.00721 0.00339 -0.00343 -0.01323 16 2 C 1S 0.00752 -0.00961 -0.00549 -0.00006 -0.00115 17 2S -0.00740 -0.04885 -0.17094 0.04410 -0.23477 18 2PX 0.05743 0.02547 0.10890 0.02826 0.09574 19 2PY -0.02260 -0.03936 0.04068 -0.00465 -0.07816 20 2PZ 0.11439 0.03470 0.19848 0.00499 0.03145 21 3S 0.50967 0.00461 0.77456 0.32442 1.84602 22 3PX -0.04878 0.09097 0.15908 0.14006 -0.15371 23 3PY -0.09237 0.55635 0.33669 0.13334 0.92560 24 3PZ -0.31839 -0.25086 -0.80629 -0.08809 -0.00044 25 4XX 0.01072 0.02524 0.05145 0.00277 -0.00685 26 4YY 0.02553 -0.03074 -0.03966 0.01074 0.05566 27 4ZZ -0.01267 -0.01801 -0.03620 0.00116 -0.03170 28 4XY 0.00764 0.00329 0.00774 0.00145 0.02168 29 4XZ -0.02385 0.01111 -0.01517 -0.00709 -0.00369 30 4YZ 0.00030 -0.01748 -0.01615 0.01389 -0.00724 31 3 C 1S 0.00177 0.00334 -0.00460 0.01381 0.02357 32 2S 0.03144 -0.07376 0.29144 -0.01933 -0.00827 33 2PX -0.16199 -0.08026 -0.13876 0.08163 -0.21749 34 2PY -0.06262 0.23750 -0.10259 -0.28642 0.12540 35 2PZ 0.02235 0.19385 -0.01346 -0.03001 0.26995 36 3S -0.33315 -0.36200 -1.14954 0.17400 -1.24822 37 3PX 0.31842 0.58924 0.61776 -0.17745 1.10778 38 3PY 0.29252 -0.58996 0.56767 0.83903 -0.90185 39 3PZ -0.01231 -0.68311 -0.09302 -0.11176 -1.24164 40 4XX -0.00042 -0.01800 -0.04484 -0.01206 -0.01472 41 4YY -0.00923 -0.03163 0.02126 0.03843 -0.03057 42 4ZZ 0.01215 0.02259 0.03553 -0.00110 0.01516 43 4XY -0.00875 -0.00615 -0.02490 0.00308 -0.01342 44 4XZ -0.00744 -0.00672 0.00120 0.01011 -0.01837 45 4YZ -0.00754 0.00219 -0.04778 -0.00587 0.01383 46 4 C 1S 0.00176 -0.00335 -0.00453 -0.01384 -0.02357 47 2S 0.03147 0.07457 0.29113 0.02075 0.00824 48 2PX -0.16183 0.07976 -0.13853 -0.08209 0.21741 49 2PY 0.06270 0.23784 0.10322 -0.28598 0.12556 50 2PZ 0.02215 -0.19392 -0.01323 0.02996 -0.26988 51 3S -0.33237 0.35886 -1.14885 -0.17947 1.24841 52 3PX 0.31769 -0.58732 0.61819 0.17997 -1.10724 53 3PY -0.29285 -0.59190 -0.56940 0.83645 -0.90253 54 3PZ -0.01132 0.68278 -0.09441 0.11135 1.24130 55 4XX -0.00042 0.01789 -0.04497 0.01185 0.01475 56 4YY -0.00919 0.03169 0.02137 -0.03832 0.03055 57 4ZZ 0.01214 -0.02250 0.03561 0.00127 -0.01516 58 4XY 0.00875 -0.00607 0.02485 0.00324 -0.01342 59 4XZ -0.00744 0.00671 0.00117 -0.01011 0.01834 60 4YZ 0.00754 0.00233 0.04782 -0.00564 0.01384 61 5 C 1S 0.00752 0.00959 -0.00551 0.00003 0.00115 62 2S -0.00724 0.04845 -0.17066 -0.04485 0.23479 63 2PX 0.05739 -0.02518 0.10926 -0.02774 -0.09567 64 2PY 0.02260 -0.03947 -0.04051 -0.00483 -0.07814 65 2PZ 0.11433 -0.03420 0.19850 -0.00404 -0.03148 66 3S 0.50864 -0.00274 0.77499 -0.32093 -1.84616 67 3PX -0.04899 -0.09088 0.15946 -0.13934 0.15297 68 3PY 0.09278 0.55540 -0.33810 0.13139 0.92535 69 3PZ -0.31809 0.24871 -0.80682 0.08419 0.00056 70 4XX 0.01073 -0.02510 0.05156 -0.00252 0.00682 71 4YY 0.02550 0.03065 -0.03971 -0.01094 -0.05563 72 4ZZ -0.01266 0.01790 -0.03625 -0.00134 0.03169 73 4XY -0.00764 0.00322 -0.00767 0.00141 0.02171 74 4XZ -0.02385 -0.01113 -0.01517 0.00701 0.00371 75 4YZ -0.00032 -0.01745 0.01611 0.01399 -0.00722 76 6 C 1S 0.00137 0.01214 0.00433 -0.00338 -0.00945 77 2S 0.19175 -0.00794 -0.11650 -0.00094 0.12801 78 2PX 0.03773 0.10438 0.08761 -0.08619 -0.11871 79 2PY 0.04315 0.07662 -0.12436 0.11485 0.04817 80 2PZ -0.00456 -0.02824 -0.12382 0.05398 0.17559 81 3S -0.27384 0.39643 0.54599 0.39055 0.67537 82 3PX 0.02544 -0.27446 -0.09772 0.38428 0.67497 83 3PY -0.11970 -0.48805 0.40595 -0.56543 -0.32858 84 3PZ 0.00470 0.02400 0.27268 -0.33075 -0.98533 85 4XX -0.00296 0.01154 -0.03576 -0.00586 0.01749 86 4YY 0.01519 0.01276 0.00077 0.02542 0.01973 87 4ZZ 0.01175 -0.01005 0.01122 -0.00534 0.00865 88 4XY -0.01079 -0.00473 -0.03230 0.00102 0.00979 89 4XZ -0.01183 -0.02319 0.00771 0.00714 -0.01270 90 4YZ -0.00960 0.00718 -0.00339 -0.00344 -0.01323 91 7 H 1S 0.03879 -0.11534 0.10371 0.03888 0.10042 92 2S 0.09060 0.11137 -0.40780 -0.41991 -0.64282 93 8 H 1S 0.00314 0.16086 -0.06362 -0.02661 0.20694 94 2S 0.06097 -0.64873 0.22167 0.24693 -0.97047 95 9 H 1S 0.00298 -0.16105 -0.06329 0.02623 -0.20694 96 2S 0.06176 0.64930 0.22146 -0.24584 0.97021 97 10 H 1S 0.03881 0.11555 0.10348 -0.03836 -0.10044 98 2S 0.09055 -0.11229 -0.40883 0.41775 0.64277 99 11 O 1S 0.00301 -0.00406 -0.00541 -0.00155 -0.00002 100 2S -0.01621 -0.01318 0.12706 0.00830 -0.07321 101 2PX 0.05051 -0.04337 0.10987 0.01670 -0.01139 102 2PY 0.05254 -0.09688 -0.09531 0.03922 0.08202 103 2PZ 0.05931 -0.02939 0.07551 -0.05980 0.02699 104 3S -0.15797 0.31802 -0.12676 0.01559 0.18024 105 3PX -0.05092 0.06397 -0.06392 -0.00362 0.04591 106 3PY -0.14877 0.19083 0.17972 -0.06140 -0.19295 107 3PZ -0.01852 0.08241 0.04191 0.04236 -0.02482 108 4XX 0.00078 0.00540 0.05062 -0.00589 -0.01059 109 4YY -0.02369 0.01592 0.03661 -0.00216 -0.05552 110 4ZZ -0.00929 -0.00746 0.03239 -0.00194 -0.02288 111 4XY 0.00017 0.00689 -0.01068 -0.00778 -0.00296 112 4XZ 0.00937 -0.00507 0.01188 0.00514 0.00589 113 4YZ 0.00509 0.00592 0.02154 0.00538 0.00076 114 12 O 1S 0.00301 0.00405 -0.00543 0.00152 0.00002 115 2S -0.01619 0.01347 0.12707 -0.00770 0.07314 116 2PX 0.05057 0.04375 0.10981 -0.01626 0.01130 117 2PY -0.05249 -0.09662 0.09546 0.03967 0.08201 118 2PZ 0.05929 0.02960 0.07516 0.06013 -0.02699 119 3S -0.15800 -0.31827 -0.12594 -0.01601 -0.17993 120 3PX -0.05102 -0.06430 -0.06358 0.00343 -0.04569 121 3PY 0.14866 0.19035 -0.17999 -0.06229 -0.19297 122 3PZ -0.01857 -0.08232 0.04227 -0.04214 0.02479 123 4XX 0.00078 -0.00529 0.05059 0.00614 0.01056 124 4YY -0.02367 -0.01583 0.03666 0.00234 0.05550 125 4ZZ -0.00929 0.00753 0.03236 0.00208 0.02285 126 4XY -0.00014 0.00693 0.01069 -0.00772 -0.00299 127 4XZ 0.00937 0.00509 0.01191 -0.00509 -0.00590 128 4YZ -0.00508 0.00586 -0.02156 0.00527 0.00075 129 13 C 1S 0.01585 -0.00002 -0.00895 -0.00003 0.00000 130 2S -0.08620 -0.00002 -0.01282 0.00001 0.00003 131 2PX 0.19839 -0.00093 -0.56622 -0.00141 -0.00001 132 2PY 0.00008 0.21529 -0.00083 0.14889 0.20101 133 2PZ 0.36119 -0.00102 -0.62284 -0.00144 0.00006 134 3S 1.26197 0.00109 0.79646 0.00166 -0.00022 135 3PX -0.51704 0.00261 1.40141 0.00361 0.00018 136 3PY -0.00046 -1.55390 0.00416 -0.59068 -0.84968 137 3PZ -0.73957 0.00238 1.41340 0.00307 -0.00023 138 4XX -0.04125 0.00005 0.04097 0.00008 -0.00002 139 4YY 0.00076 0.00009 0.03412 0.00009 0.00001 140 4ZZ 0.07544 -0.00012 -0.05591 -0.00013 0.00001 141 4XY 0.00000 0.03777 -0.00007 0.01017 0.00159 142 4XZ -0.06743 -0.00002 -0.03833 -0.00009 0.00000 143 4YZ -0.00004 -0.06460 0.00012 -0.00982 0.02503 144 14 H 1S -0.30130 0.00010 -0.00361 -0.00008 -0.00007 145 2S 0.59545 -0.00190 -1.19918 -0.00279 0.00019 146 15 H 1S 0.14289 -0.00061 -0.37620 -0.00090 0.00002 147 2S -1.00215 0.00183 0.98484 0.00223 -0.00007 148 16 C 1S 0.02078 0.02244 0.00333 -0.03723 -0.00767 149 2S -0.00160 -0.08340 -0.09115 0.28475 0.08465 150 2PX 0.04766 0.11179 -0.02063 0.20065 0.17211 151 2PY 0.30517 0.38257 0.19343 -0.35790 -0.32083 152 2PZ 0.04025 -0.27411 -0.05923 -0.10660 -0.23617 153 3S -0.62039 -0.24411 0.03738 -1.01964 0.96959 154 3PX -0.00960 -0.68839 -0.29749 -0.70891 -0.69656 155 3PY -1.33559 -1.63452 -0.62495 0.84935 1.33680 156 3PZ -0.14821 1.18993 -0.03455 0.41827 1.56765 157 4XX 0.00489 -0.02082 -0.00842 0.03931 -0.01266 158 4YY 0.02437 0.00800 -0.00034 -0.06446 -0.02954 159 4ZZ -0.03326 0.00286 -0.00778 0.03589 0.07932 160 4XY 0.01638 -0.00648 0.00302 0.01957 0.00033 161 4XZ 0.00255 -0.00248 -0.00129 -0.00362 -0.01128 162 4YZ 0.00079 0.00935 -0.01320 -0.05107 0.04222 163 17 H 1S 0.16799 0.19306 0.03947 -0.28771 -0.18832 164 2S -0.80782 -0.77682 -0.36116 1.21599 1.07345 165 18 C 1S -0.03245 -0.00636 0.00115 -0.01973 0.00189 166 2S 0.16527 0.00233 -0.06732 0.11624 0.02237 167 2PX -0.06471 -0.14298 0.03432 -0.16448 0.15055 168 2PY -0.33492 -0.52946 -0.03371 -0.32517 0.10665 169 2PZ 0.41592 -0.02333 0.07483 0.33722 -0.47105 170 3S -0.46137 1.24656 -0.02183 0.17200 -1.60781 171 3PX 0.38154 0.44810 -0.02179 0.61438 -0.76369 172 3PY 1.00054 2.64757 0.19927 1.32812 -0.43107 173 3PZ -1.34876 -0.09676 -0.19695 -0.95022 2.53131 174 4XX 0.03891 -0.01248 0.02617 0.01223 0.00665 175 4YY -0.01919 0.08625 -0.01556 0.05861 -0.01905 176 4ZZ 0.00683 -0.03622 -0.01255 -0.03317 -0.04821 177 4XY -0.01979 0.00511 0.03078 -0.01060 0.00223 178 4XZ 0.01601 0.01095 -0.01917 0.01932 0.00193 179 4YZ 0.07511 -0.01989 -0.00265 0.03981 -0.00500 180 19 H 1S -0.28238 -0.10052 0.01801 -0.27269 0.11985 181 2S 1.46568 0.88670 0.12698 1.25827 -1.22749 182 20 C 1S 0.02078 -0.02244 0.00321 0.03725 0.00766 183 2S -0.00159 0.08323 -0.08992 -0.28525 -0.08454 184 2PX 0.04773 -0.11201 -0.01919 -0.20069 -0.17197 185 2PY -0.30511 0.38191 -0.19285 -0.35890 -0.32091 186 2PZ 0.04032 0.27416 -0.06055 0.10612 0.23613 187 3S -0.62015 0.24388 0.03152 1.02029 -0.96981 188 3PX -0.00998 0.68830 -0.30335 0.70731 0.69585 189 3PY 1.33522 -1.63221 0.62551 0.85243 1.33719 190 3PZ -0.14854 -1.19080 -0.02893 -0.41786 -1.56744 191 4XX 0.00492 0.02080 -0.00828 -0.03937 0.01268 192 4YY 0.02437 -0.00803 -0.00061 0.06450 0.02951 193 4ZZ -0.03328 -0.00287 -0.00760 -0.03595 -0.07930 194 4XY -0.01637 -0.00646 -0.00309 0.01948 0.00030 195 4XZ 0.00253 0.00248 -0.00133 0.00365 0.01126 196 4YZ -0.00077 0.00939 0.01342 -0.05098 0.04225 197 21 H 1S 0.16798 -0.19299 0.03866 0.28788 0.18821 198 2S -0.80776 0.77589 -0.35755 -1.21755 -1.07311 199 22 C 1S -0.03244 0.00639 0.00104 0.01973 -0.00188 200 2S 0.16521 -0.00263 -0.06677 -0.11659 -0.02244 201 2PX -0.06485 0.14339 0.03309 0.16484 -0.15066 202 2PY 0.33455 -0.52950 0.03681 -0.32488 0.10631 203 2PZ 0.41595 0.02328 0.07637 -0.33697 0.47095 204 3S -0.46183 -1.24591 -0.01748 -0.17228 1.60828 205 3PX 0.38192 -0.44979 -0.01737 -0.61543 0.76388 206 3PY -0.99870 2.64729 -0.21314 1.32668 -0.42971 207 3PZ -1.34872 0.09706 -0.20164 0.94976 -2.53114 208 4XX 0.03889 0.01251 0.02622 -0.01209 -0.00668 209 4YY -0.01919 -0.08628 -0.01506 -0.05871 0.01907 210 4ZZ 0.00684 0.03620 -0.01280 0.03310 0.04821 211 4XY 0.01983 0.00511 -0.03071 -0.01072 0.00221 212 4XZ 0.01607 -0.01100 -0.01905 -0.01944 -0.00194 213 4YZ -0.07510 -0.01990 0.00251 0.03981 -0.00500 214 23 H 1S -0.28232 0.10072 0.01641 0.27280 -0.11973 215 2S 1.46506 -0.88697 0.13544 -1.25783 1.22703 106 107 108 109 110 V V V V V Eigenvalues -- 0.84247 0.86570 0.87299 0.88291 0.89340 1 1 C 1S 0.02608 -0.01355 0.00005 -0.00429 0.00716 2 2S -0.16337 0.47421 0.16347 -0.22918 -0.30427 3 2PX 0.40027 -0.23140 0.09250 -0.04868 0.23745 4 2PY 0.36761 -0.21970 0.18492 0.04039 0.17977 5 2PZ -0.41110 0.26840 0.01760 -0.02796 -0.25046 6 3S -0.96679 -0.99470 -0.99024 0.43867 0.57390 7 3PX -1.57305 0.55261 -0.50340 0.10754 -0.51954 8 3PY -1.65709 0.45979 -0.70608 -0.13048 -0.29852 9 3PZ 1.63161 -0.59019 0.00969 0.00113 0.54538 10 4XX 0.00831 0.00037 0.02962 -0.02405 -0.01713 11 4YY -0.08019 0.03902 -0.02984 -0.02107 -0.02516 12 4ZZ 0.01396 0.01819 0.01249 0.00631 -0.00661 13 4XY 0.01824 -0.05384 -0.00334 0.01476 0.04046 14 4XZ -0.04226 0.04093 -0.02358 0.02647 -0.03077 15 4YZ -0.02041 0.06813 -0.00812 -0.00854 -0.06425 16 2 C 1S 0.00296 -0.00108 0.00236 -0.00557 -0.01130 17 2S -0.13094 -0.05286 0.13727 -0.29236 -0.26627 18 2PX -0.10804 -0.00096 -0.08657 -0.07522 -0.04237 19 2PY -0.06574 0.01449 -0.01521 0.00551 0.09615 20 2PZ 0.00155 0.05801 -0.04779 0.10090 -0.03550 21 3S 1.25739 0.05504 0.13530 0.86151 0.83262 22 3PX 0.22987 0.08640 0.42093 0.37402 0.09883 23 3PY 0.46888 0.03281 0.38908 0.24669 0.25337 24 3PZ -0.07748 -0.18518 0.42988 -0.48221 0.11071 25 4XX -0.02120 0.02365 -0.03719 0.01555 -0.02556 26 4YY 0.07104 -0.03093 0.07353 -0.01191 0.02401 27 4ZZ -0.02031 -0.00561 0.00955 -0.03508 -0.02070 28 4XY -0.02356 -0.00239 0.01255 0.01948 0.00518 29 4XZ 0.00092 -0.00852 -0.00125 0.00710 0.02450 30 4YZ 0.03233 -0.00487 0.01451 -0.03143 0.00471 31 3 C 1S -0.01350 0.00880 0.00944 0.01177 -0.00025 32 2S 0.07523 -0.39877 -0.25200 0.07560 -0.27475 33 2PX 0.01091 -0.19064 0.12619 -0.28937 -0.11438 34 2PY -0.06821 0.16658 0.21438 0.03144 0.13469 35 2PZ -0.15163 0.26807 0.55891 0.14024 0.24773 36 3S -0.29043 0.75404 0.03307 -0.62266 0.44717 37 3PX 0.08248 0.51176 -0.17361 0.65094 0.27994 38 3PY 0.55823 -0.31579 -1.04476 0.14900 -0.17745 39 3PZ 0.37168 -0.62150 -1.78807 -0.44661 -0.46962 40 4XX 0.00076 -0.03331 -0.01206 0.00883 -0.02482 41 4YY 0.01376 -0.02712 -0.04136 0.00839 -0.02635 42 4ZZ -0.01296 0.00505 0.00340 -0.00333 -0.00417 43 4XY -0.00680 -0.04078 -0.00470 -0.04450 -0.02060 44 4XZ 0.02601 -0.01818 -0.01176 -0.03579 -0.00259 45 4YZ 0.00033 0.03715 0.02135 0.00484 0.05058 46 4 C 1S 0.01350 0.00879 -0.00945 0.01177 -0.00025 47 2S -0.07531 -0.39868 0.25212 0.07572 -0.27474 48 2PX -0.01083 -0.19052 -0.12602 -0.28937 -0.11434 49 2PY -0.06824 -0.16674 0.21437 -0.03144 -0.13474 50 2PZ 0.15160 0.26788 -0.55913 0.13990 0.24769 51 3S 0.29067 0.75409 -0.03261 -0.62238 0.44712 52 3PX -0.08307 0.51141 0.17346 0.65080 0.28019 53 3PY 0.55828 0.31612 -1.04460 -0.14868 0.17718 54 3PZ -0.37156 -0.62072 1.78858 -0.44529 -0.46970 55 4XX -0.00074 -0.03335 0.01206 0.00877 -0.02484 56 4YY -0.01378 -0.02707 0.04138 0.00846 -0.02631 57 4ZZ 0.01296 0.00505 -0.00341 -0.00332 -0.00419 58 4XY -0.00680 0.04077 -0.00479 0.04450 0.02060 59 4XZ -0.02600 -0.01815 0.01177 -0.03578 -0.00255 60 4YZ 0.00030 -0.03716 0.02136 -0.00483 -0.05059 61 5 C 1S -0.00296 -0.00108 -0.00235 -0.00557 -0.01131 62 2S 0.13101 -0.05289 -0.13693 -0.29267 -0.26635 63 2PX 0.10809 -0.00093 0.08657 -0.07499 -0.04235 64 2PY -0.06566 -0.01449 -0.01516 -0.00556 -0.09621 65 2PZ -0.00158 0.05801 0.04765 0.10082 -0.03545 66 3S -1.25752 0.05481 -0.13628 0.86241 0.83273 67 3PX -0.23031 0.08616 -0.42140 0.37283 0.09944 68 3PY 0.46901 -0.03259 0.38918 -0.24625 -0.25326 69 3PZ 0.07767 -0.18518 -0.42935 -0.48141 0.11023 70 4XX 0.02122 0.02365 0.03714 0.01560 -0.02555 71 4YY -0.07105 -0.03094 -0.07350 -0.01201 0.02397 72 4ZZ 0.02032 -0.00561 -0.00950 -0.03510 -0.02069 73 4XY -0.02348 0.00245 0.01265 -0.01945 -0.00523 74 4XZ -0.00095 -0.00852 0.00124 0.00708 0.02451 75 4YZ 0.03232 0.00486 0.01448 0.03143 -0.00469 76 6 C 1S -0.02608 -0.01355 -0.00004 -0.00428 0.00716 77 2S 0.16356 0.47418 -0.16337 -0.22938 -0.30428 78 2PX -0.40057 -0.23157 -0.09256 -0.04868 0.23755 79 2PY 0.36741 0.21956 0.18488 -0.04007 -0.17959 80 2PZ 0.41118 0.26837 -0.01757 -0.02803 -0.25043 81 3S 0.96634 -0.99450 0.99006 0.43962 0.57408 82 3PX 1.57429 0.55303 0.50375 0.10726 -0.51954 83 3PY -1.65622 -0.45959 -0.70585 0.12843 0.29837 84 3PZ -1.63184 -0.59010 -0.00980 0.00191 0.54508 85 4XX -0.00832 0.00030 -0.02956 -0.02408 -0.01708 86 4YY 0.08022 0.03909 0.02984 -0.02104 -0.02521 87 4ZZ -0.01395 0.01819 -0.01252 0.00628 -0.00660 88 4XY 0.01819 0.05380 -0.00337 -0.01477 -0.04045 89 4XZ 0.04227 0.04098 0.02355 0.02651 -0.03082 90 4YZ -0.02039 -0.06810 -0.00811 0.00856 0.06422 91 7 H 1S 0.38441 -0.29918 0.05101 0.08494 0.30427 92 2S -1.86162 1.18404 -0.29363 -0.11957 -0.98468 93 8 H 1S -0.10420 0.18044 0.22658 0.04188 0.23716 94 2S 0.49458 -0.88707 -1.41384 -0.29091 -0.65993 95 9 H 1S 0.10423 0.18038 -0.22667 0.04176 0.23711 96 2S -0.49459 -0.88661 1.41429 -0.29001 -0.65986 97 10 H 1S -0.38448 -0.29917 -0.05103 0.08488 0.30425 98 2S 1.86195 1.18405 0.29366 -0.11933 -0.98456 99 11 O 1S 0.00619 -0.00238 0.00194 -0.00203 -0.00307 100 2S -0.11059 0.05980 -0.15751 -0.01402 -0.11009 101 2PX 0.01437 -0.06613 -0.05658 -0.02050 -0.04428 102 2PY 0.09499 -0.06022 0.08861 -0.00108 0.08347 103 2PZ -0.00985 0.01630 -0.09546 0.02732 -0.02127 104 3S 0.08048 -0.05056 0.38624 0.00692 0.17361 105 3PX -0.04710 0.03152 -0.03675 0.00059 0.04360 106 3PY -0.26092 0.12870 -0.16660 0.02640 -0.06360 107 3PZ -0.01246 0.05729 0.02635 0.02772 0.00838 108 4XX -0.02702 0.02833 -0.06299 0.00842 -0.02161 109 4YY -0.05888 0.02466 -0.06193 -0.02006 -0.07211 110 4ZZ -0.02448 0.01116 -0.02970 0.00035 -0.01768 111 4XY -0.01378 0.01639 0.00520 -0.01868 -0.01432 112 4XZ 0.00113 -0.00236 -0.01482 0.01098 0.00925 113 4YZ 0.00426 -0.01213 -0.01003 0.01265 -0.00958 114 12 O 1S -0.00619 -0.00238 -0.00194 -0.00204 -0.00307 115 2S 0.11056 0.05984 0.15750 -0.01382 -0.11004 116 2PX -0.01442 -0.06615 0.05657 -0.02043 -0.04425 117 2PY 0.09492 0.06021 0.08863 0.00112 -0.08345 118 2PZ 0.00985 0.01631 0.09546 0.02739 -0.02126 119 3S -0.08059 -0.05069 -0.38628 0.00638 0.17351 120 3PX 0.04725 0.03163 0.03680 0.00074 0.04353 121 3PY -0.26075 -0.12873 -0.16650 -0.02648 0.06353 122 3PZ 0.01243 0.05729 -0.02642 0.02756 0.00844 123 4XX 0.02703 0.02837 0.06295 0.00847 -0.02161 124 4YY 0.05884 0.02466 0.06195 -0.01997 -0.07207 125 4ZZ 0.02447 0.01117 0.02970 0.00039 -0.01766 126 4XY -0.01381 -0.01639 0.00520 0.01870 0.01437 127 4XZ -0.00113 -0.00236 0.01481 0.01102 0.00924 128 4YZ 0.00427 0.01213 -0.01001 -0.01263 0.00958 129 13 C 1S 0.00000 -0.00018 0.00002 -0.02415 0.01831 130 2S -0.00001 -0.41072 -0.00002 0.13820 -0.64829 131 2PX 0.00008 -0.31748 -0.00002 0.29584 -0.28310 132 2PY -0.09609 -0.00012 0.00300 0.00006 -0.00010 133 2PZ 0.00002 -0.02906 -0.00005 0.30965 0.19931 134 3S 0.00005 1.06494 -0.00035 0.26108 1.07201 135 3PX -0.00025 0.80182 -0.00035 -0.35006 0.63123 136 3PY 0.26267 0.00040 0.47122 0.00020 0.00014 137 3PZ 0.00009 -0.07865 0.00019 -0.70003 -0.52307 138 4XX -0.00001 0.04622 0.00005 -0.06982 0.03732 139 4YY 0.00000 -0.05694 -0.00003 0.04050 -0.12109 140 4ZZ 0.00001 -0.03828 -0.00002 0.04771 -0.00038 141 4XY -0.00105 0.00004 -0.01414 -0.00005 0.00006 142 4XZ 0.00001 0.01900 0.00002 -0.06612 0.04659 143 4YZ -0.01483 0.00001 0.02077 -0.00002 0.00000 144 14 H 1S 0.00001 0.16416 0.00035 -0.60034 0.39488 145 2S 0.00010 -0.94626 -0.00016 0.86064 -0.98591 146 15 H 1S 0.00005 -0.08739 0.00006 -0.07279 0.25780 147 2S 0.00000 -0.14280 0.00022 -0.62345 -0.74396 148 16 C 1S 0.01515 0.00165 -0.01628 0.01324 -0.00403 149 2S -0.17271 -0.20299 0.02957 -0.18448 -0.13286 150 2PX -0.07264 -0.00964 -0.18766 0.03407 -0.07026 151 2PY 0.21552 -0.00939 -0.00341 0.14207 -0.02231 152 2PZ 0.02217 -0.05425 0.13198 0.00748 0.01492 153 3S 0.29861 0.42535 -0.38951 0.65861 0.30147 154 3PX 0.26258 -0.01999 0.36343 -0.12599 0.19178 155 3PY -0.78796 -0.06863 0.17206 -0.31006 0.14705 156 3PZ -0.22175 0.31362 -0.84540 0.36639 -0.01834 157 4XX 0.00174 -0.01227 -0.00776 -0.01213 -0.01276 158 4YY 0.01221 -0.00596 0.00895 0.04433 0.00745 159 4ZZ -0.02719 -0.00223 -0.02115 -0.03026 -0.01604 160 4XY -0.00580 -0.00700 -0.00462 0.03733 -0.02881 161 4XZ -0.00452 0.03078 0.01103 -0.01546 0.02734 162 4YZ 0.00175 0.00137 -0.00901 0.04579 0.01523 163 17 H 1S 0.14413 -0.03928 0.00530 0.10800 0.02227 164 2S -0.69862 -0.06585 -0.02936 -0.39493 -0.05461 165 18 C 1S 0.00301 -0.00201 -0.00429 0.00948 -0.00578 166 2S -0.10557 -0.05628 0.22898 -0.18370 -0.01388 167 2PX -0.03367 0.00953 -0.10277 0.05502 -0.07800 168 2PY -0.12643 -0.07055 0.15409 0.11727 -0.04162 169 2PZ -0.02939 0.00339 0.26479 -0.26759 0.02029 170 3S 0.89051 -0.32376 -0.50702 0.15564 -0.01742 171 3PX 0.10954 -0.05429 0.30055 -0.09699 0.04058 172 3PY 0.59434 0.28678 -0.77628 -0.00184 0.05198 173 3PZ -0.16494 0.00330 -1.24182 0.51313 -0.04074 174 4XX -0.01342 0.02696 0.00350 -0.04354 0.00920 175 4YY 0.01608 -0.01560 -0.01729 -0.01223 -0.01051 176 4ZZ 0.00190 -0.01804 0.04574 0.02333 0.00044 177 4XY 0.00379 0.00956 0.00112 0.05008 0.00138 178 4XZ 0.00739 -0.02187 -0.02170 -0.02637 -0.01019 179 4YZ -0.00949 -0.02723 0.00601 -0.09953 -0.00473 180 19 H 1S 0.01166 0.07475 -0.00947 0.38218 -0.03294 181 2S 0.11944 0.05860 0.44846 -0.75371 0.05314 182 20 C 1S -0.01515 0.00166 0.01628 0.01324 -0.00403 183 2S 0.17280 -0.20300 -0.02928 -0.18441 -0.13285 184 2PX 0.07259 -0.00965 0.18764 0.03430 -0.07033 185 2PY 0.21563 0.00929 -0.00326 -0.14194 0.02237 186 2PZ -0.02207 -0.05430 -0.13188 0.00729 0.01491 187 3S -0.29897 0.42539 0.38865 0.65906 0.30145 188 3PX -0.26227 -0.02000 -0.36321 -0.12662 0.19210 189 3PY -0.78812 0.06892 0.17140 0.30969 -0.14729 190 3PZ 0.22142 0.31391 0.84481 0.36745 -0.01839 191 4XX -0.00173 -0.01228 0.00776 -0.01208 -0.01279 192 4YY -0.01223 -0.00594 -0.00895 0.04427 0.00747 193 4ZZ 0.02720 -0.00223 0.02117 -0.03023 -0.01604 194 4XY -0.00581 0.00699 -0.00455 -0.03736 0.02879 195 4XZ 0.00451 0.03078 -0.01103 -0.01546 0.02736 196 4YZ 0.00174 -0.00137 -0.00899 -0.04577 -0.01520 197 21 H 1S -0.14418 -0.03920 -0.00524 0.10786 0.02224 198 2S 0.69870 -0.06613 0.02958 -0.39446 -0.05444 199 22 C 1S -0.00301 -0.00201 0.00429 0.00948 -0.00579 200 2S 0.10564 -0.05637 -0.22897 -0.18397 -0.01380 201 2PX 0.03375 0.00950 0.10260 0.05514 -0.07801 202 2PY -0.12637 0.07061 0.15416 -0.11704 0.04148 203 2PZ 0.02941 0.00334 -0.26465 -0.26790 0.02034 204 3S -0.89054 -0.32350 0.50759 0.15613 -0.01790 205 3PX -0.10983 -0.05417 -0.29993 -0.09723 0.04050 206 3PY 0.59417 -0.28711 -0.77629 0.00088 -0.05154 207 3PZ 0.16491 0.00346 1.24142 0.51464 -0.04093 208 4XX 0.01342 0.02696 -0.00349 -0.04351 0.00921 209 4YY -0.01607 -0.01561 0.01729 -0.01230 -0.01052 210 4ZZ -0.00189 -0.01804 -0.04573 0.02331 0.00045 211 4XY 0.00381 -0.00953 0.00115 -0.05009 -0.00136 212 4XZ -0.00738 -0.02189 0.02174 -0.02642 -0.01020 213 4YZ -0.00952 0.02722 0.00595 0.09950 0.00472 214 23 H 1S -0.01170 0.07477 0.00915 0.38217 -0.03291 215 2S -0.11927 0.05850 -0.44820 -0.75426 0.05315 111 112 113 114 115 V V V V V Eigenvalues -- 0.91576 0.92346 0.92869 0.94909 0.95855 1 1 C 1S 0.00403 -0.00552 -0.02397 0.00697 0.00195 2 2S -0.17924 -0.19497 -0.67821 0.29833 -0.28612 3 2PX 0.11130 -0.02159 -0.21192 0.01168 0.20213 4 2PY -0.28422 0.07430 0.02758 -0.03885 -0.20967 5 2PZ -0.01925 -0.02731 0.17460 0.02927 -0.26810 6 3S 1.26432 0.45047 1.95746 -0.89526 1.67202 7 3PX -0.65118 0.03873 0.60311 -0.07191 -1.66548 8 3PY 1.74359 -0.28563 -0.57056 0.29200 3.88477 9 3PZ 0.25669 0.09097 -0.68718 0.06334 2.31947 10 4XX -0.01031 -0.03253 0.00272 0.00370 -0.05344 11 4YY 0.04445 -0.01158 -0.07344 0.02636 0.04413 12 4ZZ -0.04738 0.00878 -0.01139 -0.00276 -0.02409 13 4XY -0.00064 0.00881 -0.03712 0.02076 -0.00265 14 4XZ 0.02574 0.02847 0.05713 -0.00343 0.03908 15 4YZ -0.00886 0.00186 0.02886 0.01848 -0.00046 16 2 C 1S -0.01516 -0.00149 0.01338 0.00794 -0.00790 17 2S -0.64056 0.02470 0.31902 0.07495 -0.07853 18 2PX -0.06843 0.06970 -0.22979 0.13049 0.24868 19 2PY 0.09362 -0.03302 -0.06159 -0.04711 0.14494 20 2PZ -0.09597 0.07245 0.13182 -0.02512 -0.28041 21 3S 2.57168 0.13820 -1.30315 0.43229 0.43789 22 3PX 0.31431 0.03104 1.00022 -0.37493 -3.07582 23 3PY -0.38695 0.44582 -0.11030 0.08886 -0.50183 24 3PZ 0.41259 -0.33131 -0.91906 0.31873 3.03335 25 4XX -0.02611 0.01957 0.02258 0.02511 0.02634 26 4YY -0.05555 0.00835 0.02122 0.01956 -0.04726 27 4ZZ 0.00849 -0.02759 -0.00643 -0.02167 0.00484 28 4XY -0.00142 0.02810 0.05100 -0.00063 -0.02134 29 4XZ 0.02114 -0.00728 -0.00713 -0.02178 -0.01455 30 4YZ -0.00203 -0.02028 -0.03870 0.00193 0.00777 31 3 C 1S 0.00936 0.00620 -0.01071 0.00134 -0.01239 32 2S -0.34897 -0.05010 0.25761 0.21716 0.23680 33 2PX -0.04257 -0.21609 0.00371 -0.01305 0.12610 34 2PY -0.22561 -0.00321 -0.09428 -0.06150 0.24224 35 2PZ 0.23284 0.06893 0.02578 -0.02495 -0.06210 36 3S 1.36919 -0.15763 -0.77509 -0.32443 0.28272 37 3PX 0.21997 0.53642 0.28720 -0.00349 -1.68069 38 3PY 1.40807 0.02496 0.29169 0.09575 -2.66590 39 3PZ -1.13338 -0.34555 -0.14467 0.05350 1.44900 40 4XX -0.02071 -0.00854 -0.00687 0.00122 0.01848 41 4YY 0.01749 -0.01869 0.03382 0.00483 -0.01683 42 4ZZ -0.02841 0.02797 -0.01123 0.02121 0.03523 43 4XY -0.01252 -0.00588 -0.00502 -0.00599 0.02801 44 4XZ 0.03685 -0.01140 -0.03250 0.00772 -0.04692 45 4YZ 0.00321 -0.01362 -0.04398 -0.06872 -0.01220 46 4 C 1S -0.00935 0.00618 -0.01071 0.00136 0.01241 47 2S 0.34908 -0.04960 0.25769 0.21673 -0.23666 48 2PX 0.04281 -0.21582 0.00372 -0.01268 -0.12648 49 2PY -0.22567 0.00279 0.09412 0.06140 0.24213 50 2PZ -0.23287 0.06852 0.02575 -0.02491 0.06241 51 3S -1.36884 -0.15862 -0.77567 -0.32331 -0.28341 52 3PX -0.22126 0.53400 0.28709 -0.00684 1.68310 53 3PY 1.40810 -0.02088 -0.29024 -0.09221 -2.66485 54 3PZ 1.13376 -0.34255 -0.14418 0.05475 -1.45004 55 4XX 0.02074 -0.00853 -0.00687 0.00116 -0.01850 56 4YY -0.01749 -0.01872 0.03379 0.00476 0.01686 57 4ZZ 0.02840 0.02806 -0.01120 0.02130 -0.03521 58 4XY -0.01250 0.00586 0.00499 0.00601 0.02798 59 4XZ -0.03684 -0.01148 -0.03256 0.00766 0.04690 60 4YZ 0.00316 0.01362 0.04397 0.06870 -0.01218 61 5 C 1S 0.01516 -0.00147 0.01339 0.00794 0.00790 62 2S 0.64046 0.02522 0.31941 0.07465 0.07863 63 2PX 0.06850 0.07001 -0.22974 0.13073 -0.24880 64 2PY 0.09362 0.03316 0.06151 0.04742 0.14478 65 2PZ 0.09583 0.07221 0.13184 -0.02560 0.28055 66 3S -2.57063 0.13613 -1.30476 0.43291 -0.43754 67 3PX -0.31483 0.02800 0.99967 -0.37839 3.07705 68 3PY -0.38690 -0.44566 0.11058 -0.08926 -0.50002 69 3PZ -0.41175 -0.32857 -0.91892 0.32319 -3.03380 70 4XX 0.02611 0.01964 0.02267 0.02506 -0.02636 71 4YY 0.05558 0.00838 0.02119 0.01962 0.04727 72 4ZZ -0.00849 -0.02762 -0.00645 -0.02171 -0.00481 73 4XY -0.00141 -0.02806 -0.05101 0.00065 -0.02146 74 4XZ -0.02114 -0.00730 -0.00716 -0.02170 0.01451 75 4YZ -0.00209 0.02023 0.03869 -0.00202 0.00782 76 6 C 1S -0.00401 -0.00550 -0.02397 0.00699 -0.00197 77 2S 0.17992 -0.19503 -0.67809 0.29803 0.28600 78 2PX -0.11097 -0.02151 -0.21197 0.01173 -0.20196 79 2PY -0.28421 -0.07422 -0.02787 0.03942 -0.20989 80 2PZ 0.01917 -0.02753 0.17461 0.02915 0.26813 81 3S -1.26622 0.45050 1.95645 -0.89457 -1.67136 82 3PX 0.64964 0.03777 0.60301 -0.07342 1.66286 83 3PY 1.74333 0.28339 0.57189 -0.29677 3.88641 84 3PZ -0.25629 0.09274 -0.68719 0.06532 -2.31951 85 4XX 0.01033 -0.03256 0.00267 0.00370 0.05346 86 4YY -0.04439 -0.01157 -0.07342 0.02641 -0.04414 87 4ZZ 0.04739 0.00879 -0.01136 -0.00284 0.02403 88 4XY -0.00062 -0.00885 0.03717 -0.02081 -0.00252 89 4XZ -0.02578 0.02848 0.05714 -0.00336 -0.03904 90 4YZ -0.00887 -0.00183 -0.02882 -0.01843 -0.00049 91 7 H 1S -0.01105 0.00354 -0.11626 0.00250 -0.07989 92 2S 0.08982 -0.18047 0.16714 0.21460 -0.46225 93 8 H 1S 0.03165 0.00183 -0.28658 -0.13679 0.09376 94 2S -0.43343 -0.26906 0.30465 0.37803 0.22190 95 9 H 1S -0.03149 0.00193 -0.28650 -0.13635 -0.09367 96 2S 0.43342 -0.26804 0.30460 0.37762 -0.22245 97 10 H 1S 0.01115 0.00357 -0.11626 0.00251 0.07985 98 2S -0.08963 -0.18081 0.16710 0.21456 0.46225 99 11 O 1S 0.00567 -0.00583 -0.00038 0.00153 0.00382 100 2S 0.21141 -0.04055 -0.07162 0.07920 0.06442 101 2PX -0.03086 -0.03512 -0.13114 0.29871 -0.13178 102 2PY -0.01972 0.04607 0.02787 0.02062 -0.13670 103 2PZ -0.07414 -0.00340 0.08892 0.14184 -0.06921 104 3S -0.92894 0.29173 0.31090 -0.19016 -0.44669 105 3PX -0.05511 0.08746 0.03653 -0.28587 0.52868 106 3PY -0.01764 -0.02353 -0.02807 -0.11053 0.18189 107 3PZ 0.00717 0.04053 -0.00499 -0.22889 -0.30028 108 4XX 0.07893 -0.01143 -0.04529 0.02075 0.05089 109 4YY 0.03530 -0.01611 0.00589 0.01941 0.01373 110 4ZZ 0.09043 -0.02993 -0.02625 0.00386 0.03187 111 4XY -0.01314 -0.01042 -0.02529 0.01021 0.00774 112 4XZ 0.04544 -0.00366 -0.02978 0.00866 0.01510 113 4YZ -0.02235 0.01597 0.03597 0.00496 -0.02674 114 12 O 1S -0.00566 -0.00583 -0.00039 0.00153 -0.00383 115 2S -0.21132 -0.04068 -0.07177 0.07924 -0.06442 116 2PX 0.03115 -0.03487 -0.13115 0.29904 0.13206 117 2PY -0.01978 -0.04616 -0.02801 -0.02067 -0.13670 118 2PZ 0.07421 -0.00333 0.08894 0.14185 0.06950 119 3S 0.92839 0.29208 0.31162 -0.19040 0.44686 120 3PX 0.05487 0.08764 0.03665 -0.28595 -0.52913 121 3PY -0.01736 0.02376 0.02811 0.11085 0.18164 122 3PZ -0.00735 0.04013 -0.00501 -0.22947 0.29999 123 4XX -0.07888 -0.01148 -0.04538 0.02075 -0.05093 124 4YY -0.03533 -0.01612 0.00590 0.01939 -0.01374 125 4ZZ -0.09041 -0.03000 -0.02632 0.00385 -0.03186 126 4XY -0.01320 0.01039 0.02524 -0.01025 0.00772 127 4XZ -0.04541 -0.00366 -0.02978 0.00869 -0.01508 128 4YZ -0.02235 -0.01595 -0.03600 -0.00490 -0.02678 129 13 C 1S 0.00000 -0.01429 0.02251 0.01634 0.00000 130 2S 0.00003 -0.03528 -0.31619 -0.51831 -0.00010 131 2PX 0.00015 -0.07443 -0.26477 -0.23087 -0.00005 132 2PY -0.16813 -0.00013 -0.00020 -0.00014 0.08029 133 2PZ 0.00007 -0.02521 0.15476 0.29387 -0.00004 134 3S -0.00032 0.56975 1.03316 1.33843 0.00037 135 3PX -0.00072 0.48871 0.48491 0.43274 0.00052 136 3PY 1.16405 0.00089 0.00079 0.00005 -0.38613 137 3PZ 0.00010 0.24472 -0.50654 -0.07533 0.00024 138 4XX 0.00000 -0.09368 0.02304 -0.10306 -0.00004 139 4YY -0.00003 0.04718 -0.06033 -0.06232 0.00000 140 4ZZ 0.00003 0.04601 0.02147 0.11022 0.00003 141 4XY -0.00826 -0.00005 0.00003 0.00003 -0.03046 142 4XZ -0.00003 0.03490 -0.03220 0.02705 -0.00001 143 4YZ 0.03588 0.00006 -0.00001 0.00003 -0.02711 144 14 H 1S 0.00006 -0.33675 0.25510 0.12070 -0.00023 145 2S 0.00025 0.00137 -0.62380 -0.41086 -0.00005 146 15 H 1S 0.00008 0.14311 0.19311 0.65044 0.00005 147 2S -0.00001 -0.18692 -0.75524 -1.06849 -0.00010 148 16 C 1S -0.02351 0.00394 -0.00163 -0.00197 0.00370 149 2S -0.35594 0.42238 0.23387 0.06327 0.31012 150 2PX -0.12053 0.18348 -0.12042 0.06837 -0.04069 151 2PY -0.01345 -0.49478 0.12542 0.03303 -0.02462 152 2PZ 0.20033 -0.12470 -0.06112 0.06567 -0.00178 153 3S 1.25914 -1.16249 -0.32281 -0.46481 -0.86716 154 3PX 0.36490 -0.51589 0.12210 -0.15994 -0.06235 155 3PY 0.11015 0.60469 -0.18058 -0.11084 0.20002 156 3PZ -0.68267 0.34225 0.04813 -0.43435 -0.13929 157 4XX 0.01365 0.08350 -0.02569 0.02498 -0.00145 158 4YY -0.06799 -0.07375 0.05096 -0.00897 0.04294 159 4ZZ -0.00972 0.06228 0.00272 -0.01251 -0.01219 160 4XY -0.00008 0.06965 0.00369 0.04226 -0.01030 161 4XZ 0.00479 0.00843 0.01382 0.01232 -0.02262 162 4YZ -0.03157 -0.01290 0.00774 0.03410 0.02846 163 17 H 1S -0.07723 -0.48637 0.08273 -0.11672 0.07494 164 2S -0.10928 1.23569 -0.15996 0.07511 0.13168 165 18 C 1S -0.00319 -0.00180 -0.00263 -0.00247 0.00688 166 2S -0.51834 0.20154 0.06755 -0.41974 0.23227 167 2PX -0.12435 -0.02792 -0.17378 0.16088 -0.08810 168 2PY -0.21161 -0.16739 0.01615 0.15305 0.05462 169 2PZ -0.07586 0.06486 0.03862 -0.14541 0.07444 170 3S 2.08783 -0.69008 0.00478 1.25860 -0.89623 171 3PX 0.15150 0.12945 0.24231 -0.16139 0.25668 172 3PY 0.96668 0.37192 0.04856 -0.47365 -0.76571 173 3PZ 0.29101 -0.16815 -0.24078 0.14307 -0.29002 174 4XX -0.03230 0.03230 -0.01364 -0.00676 -0.01090 175 4YY 0.01092 0.01063 0.00887 -0.02673 -0.00682 176 4ZZ -0.03967 -0.02610 0.00603 -0.01284 0.04362 177 4XY -0.00968 0.01928 -0.01439 0.02568 0.00052 178 4XZ 0.01447 -0.00724 -0.01510 -0.01124 -0.00045 179 4YZ 0.02284 0.01602 -0.00535 0.00140 -0.00822 180 19 H 1S -0.05547 0.05022 0.01649 0.04817 -0.00562 181 2S -0.09999 0.37568 0.16655 -0.59576 0.04395 182 20 C 1S 0.02351 0.00396 -0.00163 -0.00199 -0.00369 183 2S 0.35562 0.42296 0.23421 0.06323 -0.30960 184 2PX 0.12057 0.18346 -0.12022 0.06846 0.04085 185 2PY -0.01370 0.49488 -0.12544 -0.03316 -0.02430 186 2PZ -0.20011 -0.12474 -0.06128 0.06600 0.00179 187 3S -1.25862 -1.16414 -0.32379 -0.46530 0.86538 188 3PX -0.36482 -0.51643 0.12142 -0.16028 0.06177 189 3PY 0.11012 -0.60474 0.18044 0.11112 0.19955 190 3PZ 0.68197 0.34258 0.04890 -0.43587 0.13898 191 4XX -0.01370 0.08358 -0.02569 0.02510 0.00152 192 4YY 0.06806 -0.07376 0.05099 -0.00903 -0.04296 193 4ZZ 0.00964 0.06229 0.00273 -0.01262 0.01222 194 4XY -0.00012 -0.06959 -0.00374 -0.04228 -0.01036 195 4XZ -0.00479 0.00838 0.01382 0.01231 0.02261 196 4YZ -0.03160 0.01281 -0.00773 -0.03412 0.02844 197 21 H 1S 0.07756 -0.48645 0.08277 -0.11668 -0.07516 198 2S 0.10851 1.23598 -0.15954 0.07492 -0.13076 199 22 C 1S 0.00319 -0.00179 -0.00263 -0.00247 -0.00689 200 2S 0.51772 0.20170 0.06782 -0.42080 -0.23273 201 2PX 0.12472 -0.02795 -0.17374 0.16073 0.08812 202 2PY -0.21184 0.16722 -0.01634 -0.15273 0.05465 203 2PZ 0.07557 0.06483 0.03867 -0.14545 -0.07441 204 3S -2.08598 -0.69078 0.00342 1.26262 0.89748 205 3PX -0.15242 0.12973 0.24235 -0.16086 -0.25622 206 3PY 0.96750 -0.37124 -0.04793 0.47288 -0.76555 207 3PZ -0.29034 -0.16794 -0.24067 0.14294 0.28971 208 4XX 0.03227 0.03232 -0.01365 -0.00681 0.01093 209 4YY -0.01098 0.01061 0.00888 -0.02677 0.00677 210 4ZZ 0.03969 -0.02607 0.00605 -0.01287 -0.04367 211 4XY -0.00969 -0.01928 0.01438 -0.02566 0.00047 212 4XZ -0.01448 -0.00725 -0.01509 -0.01120 0.00042 213 4YZ 0.02285 -0.01600 0.00535 -0.00142 -0.00824 214 23 H 1S 0.05554 0.05027 0.01647 0.04806 0.00560 215 2S 0.09885 0.37537 0.16659 -0.59607 -0.04426 116 117 118 119 120 V V V V V Eigenvalues -- 0.96805 0.99201 1.01525 1.04640 1.05789 1 1 C 1S -0.00911 0.01295 0.00911 0.01937 0.01195 2 2S 0.11829 0.17072 0.25809 0.27586 0.51931 3 2PX 0.05776 -0.05179 -0.04802 -0.05177 0.02628 4 2PY 0.19217 -0.06110 -0.14277 -0.11346 0.07233 5 2PZ -0.02137 -0.02713 0.04767 -0.00012 -0.12576 6 3S 0.29831 -0.94981 -1.08948 -1.39445 -0.52118 7 3PX 0.23741 -0.04315 0.07609 -0.09934 -0.00515 8 3PY -1.06711 0.43125 0.72059 0.48123 0.37583 9 3PZ -0.33280 0.29315 -0.10377 0.68469 0.14915 10 4XX 0.00317 -0.03947 0.02790 -0.01538 0.02016 11 4YY -0.01314 0.02053 0.01416 0.01741 0.02440 12 4ZZ 0.03174 0.05562 -0.00311 0.03902 0.04928 13 4XY -0.02547 0.05178 0.00772 0.01179 0.00213 14 4XZ -0.01922 -0.01511 -0.00234 -0.00755 -0.06718 15 4YZ 0.02435 -0.01087 -0.04200 -0.02087 0.01344 16 2 C 1S -0.00919 -0.00739 -0.03202 -0.00113 -0.00663 17 2S 0.00655 -0.15584 -0.69816 -0.11571 -0.03747 18 2PX -0.08552 0.13673 -0.08738 0.17656 -0.11055 19 2PY 0.21384 -0.05306 0.02770 -0.14660 0.12713 20 2PZ 0.16619 -0.06169 -0.00871 0.05151 -0.03297 21 3S 0.72639 0.47660 2.33065 0.31102 0.15560 22 3PX 1.23895 -0.84982 0.19770 -1.22853 0.19747 23 3PY -0.44080 0.01525 -0.51107 0.56001 -0.78722 24 3PZ -1.57359 0.32754 -0.01225 0.37691 0.12246 25 4XX 0.02172 0.04357 -0.01758 -0.00465 0.02012 26 4YY -0.05230 -0.03096 -0.09719 0.01884 -0.03395 27 4ZZ 0.03863 -0.03204 0.03211 -0.02388 0.01336 28 4XY -0.00125 -0.02031 0.01315 -0.04036 -0.07323 29 4XZ -0.05239 0.00261 0.01653 0.03579 -0.02294 30 4YZ -0.03193 0.01023 -0.03214 0.05975 0.03602 31 3 C 1S -0.01348 -0.00660 0.00596 -0.00072 -0.00888 32 2S 0.12361 0.11854 0.43124 -0.15366 -0.08074 33 2PX -0.18981 0.01431 -0.02515 0.05645 -0.13315 34 2PY -0.08080 -0.12045 -0.20348 0.02115 0.10796 35 2PZ 0.08280 -0.27060 0.02590 -0.13712 0.02964 36 3S 0.39330 -0.14858 -1.38707 -0.29354 0.81431 37 3PX 1.55950 -0.09712 0.21071 -0.46530 -0.07952 38 3PY 2.08327 0.13118 0.82751 -1.09637 0.41144 39 3PZ -0.87424 0.63976 -0.05297 0.77626 0.21630 40 4XX 0.03620 0.03209 -0.02283 0.00375 -0.02930 41 4YY 0.03388 0.00596 0.02858 -0.02390 0.00053 42 4ZZ -0.05930 -0.01720 0.03285 -0.00589 0.02372 43 4XY 0.01280 -0.02176 0.02589 -0.02669 0.00602 44 4XZ 0.00766 0.01940 -0.02178 0.03769 0.00539 45 4YZ -0.02888 -0.07805 0.06904 -0.00918 0.00043 46 4 C 1S 0.01347 -0.00660 0.00597 0.00073 0.00889 47 2S -0.12428 0.11868 0.43108 0.15376 0.08087 48 2PX 0.19010 0.01404 -0.02532 -0.05650 0.13304 49 2PY -0.08080 0.12077 0.20341 0.02107 0.10805 50 2PZ -0.08307 -0.27057 0.02585 0.13712 -0.02954 51 3S -0.39161 -0.14947 -1.38675 0.29304 -0.81422 52 3PX -1.56161 -0.09446 0.21077 0.46613 0.07941 53 3PY 2.08279 -0.13442 -0.82684 -1.09605 0.41162 54 3PZ 0.87524 0.63802 -0.05227 -0.77655 -0.21632 55 4XX -0.03622 0.03211 -0.02285 -0.00367 0.02931 56 4YY -0.03389 0.00599 0.02857 0.02386 -0.00050 57 4ZZ 0.05926 -0.01726 0.03288 0.00586 -0.02374 58 4XY 0.01282 0.02178 -0.02591 -0.02673 0.00606 59 4XZ -0.00761 0.01940 -0.02175 -0.03768 -0.00541 60 4YZ -0.02892 0.07809 -0.06908 -0.00919 0.00044 61 5 C 1S 0.00918 -0.00739 -0.03201 0.00115 0.00662 62 2S -0.00645 -0.15582 -0.69819 0.11590 0.03735 63 2PX 0.08529 0.13652 -0.08742 -0.17639 0.11056 64 2PY 0.21383 0.05314 -0.02769 -0.14667 0.12718 65 2PZ -0.16631 -0.06138 -0.00880 -0.05145 0.03297 66 3S -0.72820 0.47734 2.32974 -0.31122 -0.15494 67 3PX -1.23914 -0.84686 0.19721 1.22833 -0.19748 68 3PY -0.44142 -0.01629 0.51137 0.56043 -0.78734 69 3PZ 1.57374 0.32424 -0.01181 -0.37716 -0.12218 70 4XX -0.02171 0.04353 -0.01754 0.00469 -0.02001 71 4YY 0.05228 -0.03093 -0.09720 -0.01885 0.03383 72 4ZZ -0.03862 -0.03200 0.03207 0.02387 -0.01337 73 4XY -0.00126 0.02037 -0.01308 -0.04034 -0.07329 74 4XZ 0.05246 0.00259 0.01654 -0.03585 0.02291 75 4YZ -0.03195 -0.01019 0.03214 0.05973 0.03605 76 6 C 1S 0.00911 0.01295 0.00911 -0.01938 -0.01194 77 2S -0.11860 0.17118 0.25798 -0.27586 -0.51915 78 2PX -0.05788 -0.05196 -0.04814 0.05186 -0.02629 79 2PY 0.19208 0.06079 0.14275 -0.11348 0.07234 80 2PZ 0.02125 -0.02694 0.04768 0.00013 0.12579 81 3S -0.29749 -0.95182 -1.08916 1.39478 0.52037 82 3PX -0.23676 -0.04152 0.07682 0.09897 0.00483 83 3PY -1.06701 -0.42750 -0.72069 0.48170 0.37545 84 3PZ 0.33301 0.29136 -0.10408 -0.68463 -0.14905 85 4XX -0.00315 -0.03936 0.02790 0.01535 -0.02019 86 4YY 0.01308 0.02042 0.01414 -0.01739 -0.02438 87 4ZZ -0.03170 0.05567 -0.00311 -0.03902 -0.04926 88 4XY -0.02549 -0.05181 -0.00773 0.01184 0.00212 89 4XZ 0.01916 -0.01516 -0.00238 0.00758 0.06717 90 4YZ 0.02439 0.01085 0.04201 -0.02088 0.01350 91 7 H 1S -0.02870 0.03957 0.10921 0.04257 0.16303 92 2S -0.10820 0.04706 0.42051 0.07357 0.05203 93 8 H 1S -0.26818 -0.22708 0.09881 -0.02995 0.15343 94 2S 0.14482 0.84216 0.28520 0.25902 -0.04631 95 9 H 1S 0.26827 -0.22752 0.09907 0.02990 -0.15341 96 2S -0.14485 0.84237 0.28510 -0.25895 0.04624 97 10 H 1S 0.02868 0.03962 0.10930 -0.04266 -0.16294 98 2S 0.10768 0.04738 0.42057 -0.07365 -0.05190 99 11 O 1S 0.00157 0.00213 0.01598 0.00032 0.00671 100 2S 0.03693 0.03763 0.16622 0.07341 -0.03729 101 2PX -0.25206 -0.17013 -0.13482 0.00746 0.42968 102 2PY -0.17560 -0.03325 -0.23333 0.13526 -0.26875 103 2PZ -0.14194 -0.37070 0.09161 -0.50552 -0.01696 104 3S -0.31959 -0.18351 -1.02952 -0.01172 -0.34277 105 3PX 0.15897 0.35199 0.11845 0.15088 -0.65154 106 3PY 0.29121 0.01229 0.18643 -0.25302 0.35101 107 3PZ 0.35486 0.39981 -0.14852 0.65964 0.02253 108 4XX 0.03172 0.02748 0.08392 0.01639 0.03453 109 4YY 0.00289 0.02187 0.03716 0.03216 -0.02732 110 4ZZ 0.04195 0.00313 0.10974 -0.00654 0.01659 111 4XY -0.02364 -0.00359 -0.03148 0.02555 0.03559 112 4XZ 0.00697 0.01330 0.06435 0.00297 0.02407 113 4YZ 0.01213 -0.01367 -0.00395 -0.04529 -0.02765 114 12 O 1S -0.00157 0.00212 0.01598 -0.00033 -0.00671 115 2S -0.03719 0.03766 0.16618 -0.07338 0.03734 116 2PX 0.25171 -0.17017 -0.13484 -0.00750 -0.42968 117 2PY -0.17539 0.03314 0.23326 0.13512 -0.26907 118 2PZ 0.14148 -0.37075 0.09186 0.50547 0.01690 119 3S 0.32023 -0.18344 -1.02940 0.01196 0.34251 120 3PX -0.15858 0.35168 0.11840 -0.15079 0.65164 121 3PY 0.29090 -0.01206 -0.18640 -0.25295 0.35153 122 3PZ -0.35428 0.40027 -0.14889 -0.65955 -0.02250 123 4XX -0.03175 0.02747 0.08387 -0.01644 -0.03455 124 4YY -0.00298 0.02188 0.03720 -0.03212 0.02737 125 4ZZ -0.04202 0.00316 0.10972 0.00652 -0.01657 126 4XY -0.02367 0.00361 0.03151 0.02555 0.03557 127 4XZ -0.00701 0.01328 0.06435 -0.00295 -0.02404 128 4YZ 0.01216 0.01365 0.00400 -0.04530 -0.02767 129 13 C 1S -0.00001 -0.01391 0.01877 -0.00001 0.00000 130 2S 0.00032 -0.41276 0.02851 -0.00022 0.00004 131 2PX 0.00023 -0.20096 0.00952 -0.00006 0.00000 132 2PY -0.15864 -0.00005 -0.00002 -0.06791 -0.01846 133 2PZ -0.00008 0.21936 0.05641 -0.00003 -0.00005 134 3S -0.00093 1.64276 -0.53615 0.00081 -0.00036 135 3PX -0.00081 0.15947 0.07031 0.00025 0.00015 136 3PY 0.42673 -0.00003 0.00004 0.03880 0.04906 137 3PZ -0.00034 -0.41495 -0.01012 0.00035 0.00005 138 4XX 0.00010 -0.03268 -0.03509 -0.00003 0.00001 139 4YY 0.00002 -0.03077 0.01359 -0.00002 -0.00003 140 4ZZ -0.00010 0.00242 0.03353 0.00001 0.00002 141 4XY 0.04284 -0.00002 -0.00001 -0.04488 -0.02842 142 4XZ -0.00001 0.02945 0.03368 0.00001 -0.00001 143 4YZ 0.04450 -0.00001 0.00001 -0.03139 -0.00892 144 14 H 1S 0.00014 0.04922 0.06254 -0.00011 -0.00004 145 2S 0.00029 -0.41693 0.02419 -0.00021 -0.00001 146 15 H 1S -0.00044 0.20240 0.26282 0.00007 0.00004 147 2S 0.00060 -0.78163 -0.24234 -0.00008 0.00003 148 16 C 1S 0.00333 -0.00521 -0.00379 -0.00092 0.00309 149 2S -0.16182 -0.39170 0.43649 -0.26815 -0.02649 150 2PX -0.11097 -0.03809 -0.16640 0.07356 0.05846 151 2PY -0.05387 0.07483 -0.09063 0.02173 -0.09712 152 2PZ -0.14085 -0.10769 0.02689 -0.07818 -0.01350 153 3S 1.12597 1.27708 -0.82362 0.45259 -0.35209 154 3PX 0.33272 -0.09262 0.28017 -0.07482 -0.03809 155 3PY -0.05875 -0.55862 0.38077 -0.30064 0.24080 156 3PZ 0.67368 0.74534 -0.48163 0.16461 -0.10638 157 4XX -0.04623 -0.00607 0.01704 0.02734 0.03768 158 4YY -0.01922 -0.03879 -0.00163 -0.03611 -0.01854 159 4ZZ 0.06277 -0.00088 0.00598 -0.01740 -0.01902 160 4XY -0.01254 -0.01217 -0.00679 0.02550 0.01448 161 4XZ 0.01441 0.00803 -0.06504 0.02035 -0.00186 162 4YZ -0.01768 0.01010 0.01250 0.02410 0.02020 163 17 H 1S -0.14020 -0.11571 0.00692 -0.10117 -0.01724 164 2S -0.08267 -0.41486 0.33617 -0.17817 0.24516 165 18 C 1S 0.00241 0.01352 -0.00122 0.00031 0.00087 166 2S 0.56814 0.37665 0.05264 0.12972 0.05302 167 2PX 0.09126 0.00694 -0.05979 0.04859 -0.02643 168 2PY 0.03883 -0.10390 0.02590 0.03971 -0.00342 169 2PZ -0.07541 -0.08338 -0.00417 -0.04183 0.01019 170 3S -1.83361 -1.43507 0.48811 -0.31817 -0.02734 171 3PX -0.49057 -0.03641 0.09461 0.00202 0.26866 172 3PY 0.04813 0.64621 -0.28451 0.23308 0.06437 173 3PZ 0.43859 0.29378 -0.12801 -0.20213 -0.47775 174 4XX 0.03023 -0.00908 -0.02975 0.01446 0.00145 175 4YY 0.01113 0.03746 -0.00726 0.00419 0.00079 176 4ZZ 0.01708 0.02836 0.03527 0.00069 0.01061 177 4XY 0.00066 0.00286 0.01423 0.00937 0.01143 178 4XZ -0.03172 -0.00846 0.02528 -0.01378 0.00026 179 4YZ -0.00299 -0.05628 0.05586 -0.02420 -0.01590 180 19 H 1S 0.08218 0.16237 -0.07618 0.18994 0.15557 181 2S 0.08302 0.17628 0.01492 0.10488 0.18392 182 20 C 1S -0.00334 -0.00521 -0.00378 0.00092 -0.00309 183 2S 0.16089 -0.39199 0.43667 0.26804 0.02664 184 2PX 0.11087 -0.03811 -0.16639 -0.07348 -0.05841 185 2PY -0.05408 -0.07475 0.09059 0.02165 -0.09702 186 2PZ 0.14078 -0.10792 0.02703 0.07820 0.01347 187 3S -1.12294 1.27828 -0.82500 -0.45274 0.35177 188 3PX -0.33220 -0.09266 0.28038 0.07449 0.03805 189 3PY -0.05838 0.55824 -0.38081 -0.30020 0.24013 190 3PZ -0.67261 0.74650 -0.48252 -0.16478 0.10629 191 4XX 0.04615 -0.00611 0.01706 -0.02733 -0.03769 192 4YY 0.01924 -0.03881 -0.00159 0.03609 0.01857 193 4ZZ -0.06280 -0.00084 0.00593 0.01740 0.01902 194 4XY -0.01236 0.01217 0.00684 0.02542 0.01444 195 4XZ -0.01441 0.00809 -0.06504 -0.02036 0.00186 196 4YZ -0.01763 -0.01008 -0.01255 0.02408 0.02020 197 21 H 1S 0.14054 -0.11580 0.00709 0.10110 0.01725 198 2S 0.08149 -0.41475 0.33630 0.17808 -0.24472 199 22 C 1S -0.00240 0.01352 -0.00122 -0.00031 -0.00088 200 2S -0.56721 0.37700 0.05253 -0.12986 -0.05320 201 2PX -0.09152 0.00703 -0.05981 -0.04851 0.02652 202 2PY 0.03904 0.10387 -0.02603 0.03965 -0.00345 203 2PZ 0.07553 -0.08342 -0.00403 0.04179 -0.01017 204 3S 1.83061 -1.43667 0.48847 0.31850 0.02785 205 3PX 0.49069 -0.03659 0.09485 -0.00226 -0.26887 206 3PY 0.04737 -0.64657 0.28543 0.23310 0.06452 207 3PZ -0.43838 0.29404 -0.12902 0.20226 0.47786 208 4XX -0.03025 -0.00902 -0.02974 -0.01447 -0.00143 209 4YY -0.01106 0.03745 -0.00727 -0.00418 -0.00078 210 4ZZ -0.01702 0.02834 0.03527 -0.00071 -0.01065 211 4XY 0.00072 -0.00290 -0.01425 0.00930 0.01142 212 4XZ 0.03175 -0.00852 0.02533 0.01378 -0.00025 213 4YZ -0.00289 0.05629 -0.05584 -0.02420 -0.01592 214 23 H 1S -0.08215 0.16248 -0.07614 -0.18991 -0.15569 215 2S -0.08210 0.17639 0.01507 -0.10510 -0.18413 121 122 123 124 125 V V V V V Eigenvalues -- 1.06996 1.09270 1.12489 1.14716 1.18157 1 1 C 1S 0.00315 0.00547 0.00777 0.01721 -0.00705 2 2S 0.14878 0.25104 0.23556 0.07527 -0.26060 3 2PX 0.06383 -0.09168 0.04881 -0.11748 0.01866 4 2PY -0.00603 0.08243 0.11806 -0.14592 -0.04036 5 2PZ 0.06763 0.04455 -0.05856 0.12407 -0.10020 6 3S -0.67533 -0.94392 -1.24330 -2.43917 0.03908 7 3PX 0.03575 1.22477 -0.42344 -0.05002 -1.06225 8 3PY 0.33424 -0.94523 0.05068 1.53123 -0.41521 9 3PZ -0.02697 -1.09516 0.54567 0.07333 1.18638 10 4XX -0.05744 0.01191 -0.03310 -0.00559 -0.00266 11 4YY 0.00757 -0.01172 0.05353 -0.01856 -0.01311 12 4ZZ 0.03238 0.03372 -0.01136 0.03912 -0.02625 13 4XY 0.00557 0.03192 0.00980 0.10632 -0.03974 14 4XZ 0.01042 -0.01925 0.03405 -0.03369 0.06488 15 4YZ 0.01133 -0.03679 -0.03510 -0.03673 0.02114 16 2 C 1S 0.01114 -0.01114 -0.00093 -0.00850 -0.00196 17 2S 0.16449 -0.44245 -0.02853 -0.15564 -0.03780 18 2PX 0.18587 -0.06750 0.20155 0.09115 -0.07986 19 2PY 0.04157 -0.14459 -0.04746 0.02440 0.07336 20 2PZ 0.09369 0.05911 -0.21303 -0.27784 -0.02352 21 3S 0.13117 -0.03694 0.19942 0.06848 1.16292 22 3PX -0.81080 0.38347 -1.29966 -1.79550 0.37284 23 3PY -0.06377 -0.37577 0.41877 0.01329 0.73616 24 3PZ 0.13132 -0.99438 1.35354 2.41212 0.10393 25 4XX 0.01062 0.03367 0.00887 0.08228 -0.02278 26 4YY 0.00830 -0.05705 0.01498 -0.01690 0.01222 27 4ZZ 0.00010 -0.03634 -0.02394 -0.07754 0.03288 28 4XY 0.02487 0.02673 0.05535 -0.01463 0.00382 29 4XZ -0.03541 0.07521 0.01476 0.01086 -0.00009 30 4YZ -0.01864 0.01059 -0.06795 -0.02138 -0.01602 31 3 C 1S 0.00938 0.00023 0.00145 -0.02207 0.00748 32 2S 0.32654 -0.02795 -0.14019 -0.15169 -0.37038 33 2PX -0.03358 -0.13393 0.06624 -0.05754 -0.05652 34 2PY 0.05723 -0.06057 -0.01782 0.15338 -0.07272 35 2PZ 0.16329 -0.10166 -0.12737 0.15973 -0.03745 36 3S 0.07489 0.29938 0.96086 2.53539 0.30584 37 3PX 0.01881 0.36480 -0.35621 -0.29662 0.49007 38 3PY -0.31134 1.08797 -0.35452 -1.50559 0.33737 39 3PZ -0.16320 0.81556 0.31832 -0.17380 -0.72252 40 4XX 0.02724 -0.06905 0.04140 -0.02014 0.01841 41 4YY 0.04146 0.01541 -0.04860 0.03775 -0.01891 42 4ZZ -0.03885 0.05728 0.01507 -0.03274 -0.02439 43 4XY 0.04996 -0.01404 -0.01765 -0.07535 0.00012 44 4XZ -0.01041 -0.00220 -0.00445 -0.00300 0.05318 45 4YZ -0.01306 0.03691 -0.04166 -0.15591 -0.01754 46 4 C 1S 0.00938 -0.00025 0.00146 -0.02207 -0.00750 47 2S 0.32651 0.02768 -0.14012 -0.15168 0.36972 48 2PX -0.03334 0.13412 0.06616 -0.05745 0.05650 49 2PY -0.05738 -0.06034 0.01789 -0.15341 -0.07249 50 2PZ 0.16341 0.10153 -0.12735 0.15977 0.03735 51 3S 0.07530 -0.29980 0.95987 2.53551 -0.30406 52 3PX 0.01716 -0.36570 -0.35582 -0.29752 -0.49092 53 3PY 0.31287 1.08716 0.35451 1.50496 0.33660 54 3PZ -0.16338 -0.81520 0.31736 -0.17452 0.72330 55 4XX 0.02732 0.06908 0.04143 -0.02018 -0.01856 56 4YY 0.04139 -0.01547 -0.04861 0.03779 0.01880 57 4ZZ -0.03886 -0.05728 0.01504 -0.03274 0.02461 58 4XY -0.04998 -0.01394 0.01770 0.07530 0.00007 59 4XZ -0.01041 0.00219 -0.00445 -0.00309 -0.05315 60 4YZ 0.01309 0.03682 0.04165 0.15593 -0.01752 61 5 C 1S 0.01115 0.01113 -0.00093 -0.00850 0.00198 62 2S 0.16481 0.44216 -0.02862 -0.15576 0.03838 63 2PX 0.18597 0.06731 0.20152 0.09114 0.07988 64 2PY -0.04162 -0.14454 0.04756 -0.02433 0.07327 65 2PZ 0.09356 -0.05916 -0.21305 -0.27792 0.02344 66 3S 0.13120 0.03685 0.20083 0.06901 -1.16523 67 3PX -0.81199 -0.38203 -1.29917 -1.79519 -0.37395 68 3PY 0.06334 -0.37555 -0.42034 -0.01481 0.73757 69 3PZ 0.13321 0.99399 1.35364 2.41218 -0.10362 70 4XX 0.01065 -0.03377 0.00889 0.08224 0.02302 71 4YY 0.00829 0.05706 0.01493 -0.01687 -0.01223 72 4ZZ 0.00012 0.03640 -0.02390 -0.07753 -0.03306 73 4XY -0.02481 0.02670 -0.05536 0.01472 0.00385 74 4XZ -0.03549 -0.07518 0.01469 0.01086 0.00008 75 4YZ 0.01857 0.01053 0.06798 0.02143 -0.01603 76 6 C 1S 0.00315 -0.00547 0.00777 0.01722 0.00704 77 2S 0.14877 -0.25120 0.23557 0.07551 0.26038 78 2PX 0.06395 0.09157 0.04892 -0.11761 -0.01865 79 2PY 0.00619 0.08256 -0.11800 0.14577 -0.04025 80 2PZ 0.06752 -0.04459 -0.05858 0.12410 0.10014 81 3S -0.67449 0.94480 -1.24381 -2.44049 -0.03849 82 3PX 0.03449 -1.22404 -0.42404 -0.04886 1.06296 83 3PY -0.33635 -0.94594 -0.05093 -1.53066 -0.41485 84 3PZ -0.02546 1.09492 0.54623 0.07301 -1.18683 85 4XX -0.05744 -0.01186 -0.03308 -0.00545 0.00267 86 4YY 0.00760 0.01175 0.05351 -0.01870 0.01303 87 4ZZ 0.03237 -0.03378 -0.01137 0.03912 0.02633 88 4XY -0.00560 0.03193 -0.00985 -0.10632 -0.03995 89 4XZ 0.01041 0.01924 0.03405 -0.03372 -0.06489 90 4YZ -0.01136 -0.03674 0.03512 0.03672 0.02094 91 7 H 1S 0.11628 0.31820 -0.12790 0.29795 -0.40524 92 2S 0.17566 0.43852 -0.09943 0.39310 -0.58717 93 8 H 1S -0.01251 0.31818 0.01685 -0.29327 -0.13749 94 2S -0.08827 0.23202 0.08021 -0.43770 -0.25287 95 9 H 1S -0.01260 -0.31811 0.01665 -0.29339 0.13773 96 2S -0.08846 -0.23176 0.07999 -0.43780 0.25281 97 10 H 1S 0.11607 -0.31826 -0.12804 0.29802 0.40535 98 2S 0.17528 -0.43859 -0.09963 0.39324 0.58734 99 11 O 1S 0.00298 0.01060 -0.00205 -0.00398 -0.00850 100 2S 0.12441 0.03103 0.03746 -0.12045 0.00860 101 2PX -0.31861 -0.26781 -0.31490 0.08467 0.03480 102 2PY 0.15391 -0.08286 0.07625 -0.07130 0.11220 103 2PZ -0.17744 0.01569 0.39484 0.09001 0.12278 104 3S -0.32141 -0.37547 0.08130 0.22486 0.26241 105 3PX 0.55548 0.33907 0.69629 0.16583 -0.08292 106 3PY -0.26764 0.03129 -0.12237 0.16669 -0.08179 107 3PZ 0.18826 0.10816 -0.79958 -0.51453 -0.18633 108 4XX 0.01962 0.03273 -0.01180 -0.00390 -0.02434 109 4YY 0.03341 0.02689 0.01818 -0.05014 -0.01340 110 4ZZ 0.03057 0.02822 0.00375 -0.03268 0.00433 111 4XY -0.02299 -0.04500 -0.04976 -0.00668 0.00014 112 4XZ -0.00123 0.02730 0.00217 0.00918 -0.00731 113 4YZ 0.00473 -0.00983 0.06207 0.01536 0.02014 114 12 O 1S 0.00297 -0.01060 -0.00206 -0.00398 0.00851 115 2S 0.12436 -0.03118 0.03747 -0.12047 -0.00876 116 2PX -0.31806 0.26811 -0.31476 0.08464 -0.03505 117 2PY -0.15411 -0.08242 -0.07651 0.07140 0.11240 118 2PZ -0.17758 -0.01559 0.39486 0.09020 -0.12268 119 3S -0.32130 0.37553 0.08139 0.22494 -0.26258 120 3PX 0.55479 -0.33966 0.69607 0.16590 0.08329 121 3PY 0.26793 0.03066 0.12292 -0.16664 -0.08204 122 3PZ 0.18820 -0.10822 -0.79963 -0.51483 0.18609 123 4XX 0.01959 -0.03269 -0.01186 -0.00391 0.02437 124 4YY 0.03340 -0.02700 0.01822 -0.05015 0.01337 125 4ZZ 0.03055 -0.02821 0.00377 -0.03267 -0.00440 126 4XY 0.02293 -0.04504 0.04972 0.00671 0.00018 127 4XZ -0.00123 -0.02729 0.00222 0.00921 0.00729 128 4YZ -0.00471 -0.00984 -0.06207 -0.01538 0.02011 129 13 C 1S -0.00421 0.00000 -0.01095 0.01444 0.00001 130 2S -0.03073 0.00000 -0.06611 0.49032 0.00015 131 2PX 0.03082 0.00003 -0.02495 0.06912 0.00000 132 2PY 0.00000 -0.01563 -0.00003 0.00002 -0.00867 133 2PZ -0.09551 0.00004 -0.02389 0.00806 -0.00003 134 3S -0.20850 -0.00028 0.13185 -1.51440 -0.00096 135 3PX 0.19797 -0.00014 0.04158 -0.10602 0.00030 136 3PY 0.00006 -0.12210 0.00009 0.00003 -0.34934 137 3PZ 0.24551 -0.00043 0.20047 -0.72709 0.00032 138 4XX -0.00395 0.00005 -0.02025 0.13096 0.00003 139 4YY -0.05984 -0.00001 0.00156 -0.08533 0.00000 140 4ZZ 0.05215 -0.00004 -0.00725 0.02046 -0.00001 141 4XY 0.00002 -0.02216 0.00001 0.00008 -0.07251 142 4XZ -0.08286 0.00003 0.03091 -0.08193 0.00008 143 4YZ -0.00003 0.00080 0.00002 -0.00004 -0.01861 144 14 H 1S -0.09739 0.00012 -0.03792 0.10094 -0.00002 145 2S 0.01350 0.00000 -0.06539 0.27589 0.00001 146 15 H 1S -0.01862 -0.00005 0.03947 -0.17205 0.00019 147 2S 0.07785 -0.00009 0.13076 0.10543 0.00032 148 16 C 1S 0.00045 0.01708 -0.00719 0.00032 -0.00179 149 2S 0.18337 0.29736 -0.35462 0.04253 -0.33480 150 2PX 0.00055 -0.01078 0.04044 -0.01851 0.11600 151 2PY -0.09031 -0.17657 0.04692 -0.10585 -0.18406 152 2PZ 0.07282 0.00091 0.00893 -0.07887 -0.13640 153 3S -1.07163 -2.07968 0.99538 0.33838 -0.57683 154 3PX 0.04111 0.14252 -0.15261 0.25352 -0.40407 155 3PY 0.29210 0.46911 -0.12769 0.62177 0.55989 156 3PZ -0.68227 -0.55228 0.23191 0.38920 0.26674 157 4XX -0.04216 0.03200 0.00496 -0.06973 0.04960 158 4YY 0.08128 0.05268 -0.03156 0.06266 -0.00534 159 4ZZ -0.02680 -0.06445 -0.00970 0.04092 -0.06958 160 4XY 0.00655 -0.04133 -0.02272 0.00167 0.02497 161 4XZ 0.04376 -0.01268 -0.00274 0.12785 0.09162 162 4YZ 0.01280 0.02638 -0.00038 -0.00926 0.05284 163 17 H 1S 0.09692 0.26171 -0.00268 0.00674 0.18649 164 2S 0.12126 0.33447 -0.24366 0.30799 0.33326 165 18 C 1S -0.02363 -0.00199 0.01138 -0.00410 0.00024 166 2S -0.72231 -0.13083 0.19508 0.06663 0.15835 167 2PX 0.16966 -0.11081 0.03042 -0.07221 -0.14241 168 2PY 0.10537 0.02499 -0.00213 -0.05857 0.02718 169 2PZ 0.09353 0.13326 -0.04887 0.06276 0.10219 170 3S 1.95377 0.67699 -0.66569 -0.50494 -0.60507 171 3PX -0.21409 0.73791 -0.08779 0.01662 0.88173 172 3PY -0.69277 -0.37584 0.11642 0.13949 0.29018 173 3PZ -0.30903 -1.63800 0.34417 0.00690 -1.57887 174 4XX 0.05718 -0.01884 -0.01817 0.05455 0.02600 175 4YY -0.06564 -0.01219 0.02925 -0.00488 0.00537 176 4ZZ -0.06297 0.02622 0.01903 -0.04977 -0.00633 177 4XY -0.02365 0.00305 0.01160 -0.08489 0.02812 178 4XZ -0.02723 0.01739 0.01230 -0.07135 -0.03702 179 4YZ 0.01292 -0.04393 -0.01599 -0.04113 -0.09018 180 19 H 1S -0.16867 0.23562 0.01922 -0.02308 0.53204 181 2S -0.40290 0.40810 -0.05781 0.17127 0.64138 182 20 C 1S 0.00044 -0.01709 -0.00720 0.00031 0.00178 183 2S 0.18328 -0.29759 -0.35481 0.04254 0.33450 184 2PX 0.00058 0.01071 0.04049 -0.01859 -0.11590 185 2PY 0.09016 -0.17663 -0.04681 0.10587 -0.18432 186 2PZ 0.07290 -0.00106 0.00882 -0.07888 0.13651 187 3S -1.07064 2.08139 0.99590 0.33882 0.57797 188 3PX 0.04091 -0.14228 -0.15285 0.25380 0.40400 189 3PY -0.29152 0.46868 0.12702 -0.62188 0.55991 190 3PZ -0.68232 0.55322 0.23257 0.38936 -0.26717 191 4XX -0.04213 -0.03198 0.00495 -0.06974 -0.04959 192 4YY 0.08123 -0.05275 -0.03156 0.06265 0.00526 193 4ZZ -0.02678 0.06448 -0.00970 0.04095 0.06961 194 4XY -0.00667 -0.04128 0.02272 -0.00179 0.02500 195 4XZ 0.04375 0.01264 -0.00270 0.12783 -0.09172 196 4YZ -0.01271 0.02636 0.00036 0.00936 0.05279 197 21 H 1S 0.09663 -0.26166 -0.00265 0.00672 -0.18632 198 2S 0.12122 -0.33461 -0.24335 0.30810 -0.33359 199 22 C 1S -0.02363 0.00201 0.01138 -0.00410 -0.00022 200 2S -0.72255 0.13153 0.19525 0.06677 -0.15799 201 2PX 0.16984 0.11058 0.03039 -0.07226 0.14242 202 2PY -0.10525 0.02517 0.00219 0.05854 0.02708 203 2PZ 0.09341 -0.13330 -0.04888 0.06275 -0.10233 204 3S 1.95466 -0.67908 -0.66668 -0.50557 0.60501 205 3PX -0.21498 -0.73755 -0.08767 0.01664 -0.88202 206 3PY 0.69217 -0.37712 -0.11674 -0.13959 0.29003 207 3PZ -0.30768 1.63842 0.34430 0.00725 1.57952 208 4XX 0.05715 0.01878 -0.01813 0.05444 -0.02615 209 4YY -0.06560 0.01226 0.02924 -0.00480 -0.00521 210 4ZZ -0.06300 -0.02618 0.01902 -0.04974 0.00633 211 4XY 0.02374 0.00307 -0.01165 0.08495 0.02817 212 4XZ -0.02720 -0.01736 0.01227 -0.07136 0.03717 213 4YZ -0.01299 -0.04391 0.01602 0.04108 -0.09022 214 23 H 1S -0.16892 -0.23555 0.01935 -0.02310 -0.53214 215 2S -0.40331 -0.40776 -0.05770 0.17129 -0.64171 126 127 128 129 130 V V V V V Eigenvalues -- 1.20918 1.22387 1.23322 1.27426 1.28335 1 1 C 1S 0.01314 0.00013 -0.02432 -0.00943 -0.02157 2 2S 0.21652 -0.03765 -0.59553 -0.28517 -0.38728 3 2PX 0.01125 0.05978 0.04111 -0.10080 0.01712 4 2PY 0.07302 -0.06791 -0.07732 -0.19778 -0.03145 5 2PZ 0.02742 -0.07280 0.00080 0.08620 -0.10176 6 3S -1.06610 -0.00127 3.05571 -0.00765 2.00843 7 3PX -0.42909 0.02988 0.24058 0.61403 0.34595 8 3PY -0.00104 0.32523 -0.83358 0.96076 -1.39565 9 3PZ 0.45032 -0.06434 -0.47893 -0.65584 -0.29751 10 4XX 0.07338 0.00579 -0.01057 0.04065 -0.01722 11 4YY 0.04091 0.02112 0.00230 -0.07140 -0.00686 12 4ZZ -0.11039 -0.02981 -0.03823 0.03952 0.00943 13 4XY -0.14136 0.09690 -0.03438 0.02888 -0.01827 14 4XZ -0.02777 -0.06017 0.00789 0.01499 0.04422 15 4YZ -0.14944 0.08737 0.06110 -0.03130 0.03243 16 2 C 1S -0.01526 0.01470 0.00450 0.02115 0.00503 17 2S -0.43844 0.42951 0.09550 0.61667 0.07806 18 2PX -0.00182 0.09900 -0.22916 0.08073 -0.22966 19 2PY -0.11323 0.06963 0.09342 0.11052 -0.03130 20 2PZ -0.07281 -0.05504 0.30227 -0.07139 0.19902 21 3S 1.46842 -1.99635 -0.34845 -1.65100 -0.84841 22 3PX -0.20804 -0.74776 2.07132 -0.68604 1.71732 23 3PY 1.10515 -0.79806 0.01664 -1.62958 -0.72042 24 3PZ 0.55558 0.66945 -2.43122 0.65581 -1.99731 25 4XX -0.22268 0.04938 0.01529 -0.07164 0.08939 26 4YY 0.00325 -0.01563 -0.03239 0.04781 -0.02081 27 4ZZ 0.17687 -0.02357 0.02113 0.07327 -0.08148 28 4XY 0.01147 0.00801 -0.00358 -0.03571 0.03655 29 4XZ 0.02616 -0.08058 -0.03577 -0.01888 0.04775 30 4YZ -0.03138 0.00347 0.08024 -0.10420 0.06374 31 3 C 1S 0.00717 -0.02529 0.00016 0.01525 -0.00359 32 2S 0.34238 -0.22698 0.10959 0.11181 0.06752 33 2PX 0.09435 0.22261 -0.12544 -0.05946 0.13110 34 2PY 0.10376 -0.14175 0.11139 -0.06065 -0.06761 35 2PZ -0.03059 -0.01219 -0.01551 0.04750 -0.09599 36 3S -0.50266 1.50499 -1.33795 0.80827 0.62389 37 3PX 0.14217 -0.84216 1.32637 -0.71262 -0.36367 38 3PY -0.46984 -0.08910 0.90925 -0.05583 2.63128 39 3PZ -0.21041 0.63408 -0.39504 0.32648 0.93283 40 4XX 0.15367 -0.04198 -0.02267 0.14589 -0.15162 41 4YY 0.05382 -0.02983 0.01048 -0.02248 0.01260 42 4ZZ -0.17330 0.03760 -0.00092 -0.05252 0.14162 43 4XY 0.03985 0.07905 0.01105 0.14527 -0.03647 44 4XZ -0.00847 -0.05926 0.00748 0.03847 -0.03293 45 4YZ 0.08995 0.02835 0.02710 0.10439 0.02627 46 4 C 1S 0.00717 -0.02529 -0.00016 0.01524 0.00372 47 2S 0.34322 -0.22717 -0.10951 0.11237 -0.06616 48 2PX 0.09468 0.22255 0.12539 -0.05868 -0.13128 49 2PY -0.10378 0.14199 0.11155 0.06102 -0.06747 50 2PZ -0.03059 -0.01212 0.01546 0.04692 0.09648 51 3S -0.50463 1.50696 1.33666 0.81119 -0.62073 52 3PX 0.14064 -0.84278 -1.32692 -0.71486 0.35786 53 3PY 0.47078 0.08773 0.90759 0.04005 2.63192 54 3PZ -0.20902 0.63429 0.39513 0.33194 -0.93131 55 4XX 0.15361 -0.04186 0.02265 0.14515 0.15271 56 4YY 0.05381 -0.02991 -0.01050 -0.02252 -0.01265 57 4ZZ -0.17320 0.03758 0.00096 -0.05171 -0.14219 58 4XY -0.03973 -0.07908 0.01107 -0.14495 -0.03710 59 4XZ -0.00848 -0.05929 -0.00747 0.03833 0.03310 60 4YZ -0.08996 -0.02840 0.02700 -0.10454 0.02565 61 5 C 1S -0.01527 0.01472 -0.00450 0.02118 -0.00492 62 2S -0.43868 0.42986 -0.09547 0.61711 -0.07457 63 2PX -0.00188 0.09918 0.22903 0.07946 0.23006 64 2PY 0.11343 -0.06962 0.09359 -0.11028 -0.03183 65 2PZ -0.07276 -0.05504 -0.30212 -0.07019 -0.19944 66 3S 1.46767 -1.99703 0.34865 -1.65564 0.83955 67 3PX -0.20767 -0.74904 -2.07056 -0.67716 -1.72015 68 3PY -1.10470 0.79815 0.01548 1.63319 -0.71241 69 3PZ 0.55544 0.66979 2.42986 0.64397 2.00089 70 4XX -0.22262 0.04938 -0.01536 -0.07115 -0.08995 71 4YY 0.00321 -0.01562 0.03240 0.04773 0.02119 72 4ZZ 0.17678 -0.02356 -0.02105 0.07279 0.08193 73 4XY -0.01169 -0.00796 -0.00365 0.03538 0.03684 74 4XZ 0.02617 -0.08062 0.03576 -0.01871 -0.04796 75 4YZ 0.03135 -0.00347 0.08022 0.10381 0.06451 76 6 C 1S 0.01315 0.00013 0.02431 -0.00956 0.02151 77 2S 0.21664 -0.03740 0.59547 -0.28760 0.38556 78 2PX 0.01126 0.05979 -0.04101 -0.10083 -0.01771 79 2PY -0.07298 0.06785 -0.07739 0.19791 -0.03033 80 2PZ 0.02750 -0.07286 -0.00083 0.08557 0.10235 81 3S -1.06573 -0.00198 -3.05451 0.00460 -2.00833 82 3PX -0.42805 0.03001 -0.23986 0.61651 -0.34134 83 3PY -0.00004 -0.32498 -0.83316 -0.95221 -1.40142 84 3PZ 0.44929 -0.06405 0.47875 -0.65720 0.29349 85 4XX 0.07321 0.00589 0.01065 0.04055 0.01735 86 4YY 0.04108 0.02101 -0.00236 -0.07148 0.00640 87 4ZZ -0.11036 -0.02978 0.03821 0.03958 -0.00906 88 4XY 0.14134 -0.09690 -0.03429 -0.02867 -0.01831 89 4XZ -0.02790 -0.06013 -0.00792 0.01525 -0.04410 90 4YZ 0.14946 -0.08742 0.06111 0.03110 0.03269 91 7 H 1S -0.06043 0.08550 -0.21459 0.23236 -0.25619 92 2S -0.11379 -0.03953 -0.33336 0.49510 -0.35627 93 8 H 1S -0.18330 0.06502 0.00988 0.10845 0.41970 94 2S 0.15144 0.10377 -0.05182 0.14372 0.62255 95 9 H 1S -0.18298 0.06513 -0.00972 0.11097 -0.41900 96 2S 0.15210 0.10374 0.05200 0.14740 -0.62169 97 10 H 1S -0.06005 0.08545 0.21449 0.23075 0.25756 98 2S -0.11320 -0.03960 0.33326 0.49282 0.35924 99 11 O 1S -0.00635 -0.00656 -0.00895 0.01675 0.00587 100 2S 0.05507 -0.22891 -0.13439 0.08301 0.05262 101 2PX 0.07777 -0.05751 0.07905 0.03563 0.01458 102 2PY 0.09924 -0.15413 0.02174 -0.14156 -0.02595 103 2PZ 0.02193 0.04536 -0.23224 0.01348 0.02315 104 3S 0.20631 0.42648 0.43133 -0.75069 -0.30159 105 3PX -0.05603 0.19959 -0.44462 -0.02570 -0.25913 106 3PY -0.12075 0.34153 0.12153 0.05047 -0.01918 107 3PZ -0.10745 -0.18404 0.79972 -0.22832 0.27872 108 4XX -0.04478 -0.04208 -0.01513 0.02245 0.02661 109 4YY 0.00484 -0.06190 -0.04506 0.02530 0.04431 110 4ZZ 0.05025 -0.06496 -0.05281 0.05921 -0.01719 111 4XY 0.01322 -0.00760 0.03061 0.03201 -0.02102 112 4XZ 0.01133 -0.02789 -0.05013 0.03996 0.01646 113 4YZ 0.00184 0.03006 -0.08828 0.07147 -0.03337 114 12 O 1S -0.00633 -0.00656 0.00897 0.01679 -0.00577 115 2S 0.05514 -0.22884 0.13457 0.08337 -0.05208 116 2PX 0.07783 -0.05778 -0.07914 0.03561 -0.01424 117 2PY -0.09909 0.15410 0.02165 0.14169 -0.02520 118 2PZ 0.02176 0.04548 0.23219 0.01358 -0.02306 119 3S 0.20580 0.42615 -0.43194 -0.75255 0.29714 120 3PX -0.05607 0.20019 0.44450 -0.02718 0.25863 121 3PY 0.12075 -0.34134 0.12205 -0.05029 -0.01923 122 3PZ -0.10713 -0.18434 -0.79943 -0.22662 -0.28012 123 4XX -0.04472 -0.04210 0.01510 0.02265 -0.02641 124 4YY 0.00487 -0.06187 0.04516 0.02554 -0.04423 125 4ZZ 0.05026 -0.06493 0.05289 0.05913 0.01758 126 4XY -0.01325 0.00765 0.03059 -0.03187 -0.02131 127 4XZ 0.01134 -0.02787 0.05021 0.04009 -0.01616 128 4YZ -0.00178 -0.03015 -0.08820 -0.07126 -0.03389 129 13 C 1S -0.04717 -0.03962 0.00001 -0.06765 -0.00021 130 2S -0.62302 -0.58177 0.00011 -0.91831 -0.00280 131 2PX 0.01296 0.06383 0.00001 0.07334 0.00035 132 2PY 0.00003 0.00001 0.10199 0.00060 -0.17886 133 2PZ 0.06126 0.25472 -0.00003 -0.19908 -0.00061 134 3S 2.57326 3.82291 -0.00108 1.86677 0.00574 135 3PX -0.53315 -1.55547 0.00020 0.16137 -0.00006 136 3PY -0.00051 -0.00069 -0.26256 -0.00199 0.73567 137 3PZ -0.53715 -0.08675 -0.00025 0.81183 0.00234 138 4XX 0.00486 -0.01687 0.00001 -0.09107 -0.00031 139 4YY -0.05151 0.10427 -0.00002 -0.05769 -0.00014 140 4ZZ -0.05181 -0.12797 0.00002 -0.01684 -0.00006 141 4XY 0.00002 0.00001 0.04156 -0.00016 0.05108 142 4XZ -0.08226 -0.02166 -0.00002 0.01693 0.00004 143 4YZ 0.00001 0.00007 0.04260 0.00000 0.00527 144 14 H 1S 0.00058 0.10454 0.00005 -0.32292 -0.00088 145 2S -0.12796 0.23947 0.00004 -0.34881 -0.00091 146 15 H 1S -0.36143 -0.36268 0.00003 -0.09508 -0.00034 147 2S -0.55188 -0.32942 0.00003 0.19060 0.00047 148 16 C 1S 0.00326 0.01823 0.02030 -0.01390 0.00045 149 2S 0.10854 0.45391 0.38028 -0.47472 0.08583 150 2PX -0.02676 -0.05030 -0.04333 0.08473 -0.02348 151 2PY -0.05869 0.13179 -0.13828 -0.10279 0.16226 152 2PZ -0.11819 -0.01437 0.03682 0.06986 0.03391 153 3S -0.56768 -2.34407 -1.30536 0.76397 -0.27564 154 3PX -0.15949 -0.10578 0.19718 -0.59248 0.35854 155 3PY -0.38640 -2.00727 1.06820 0.24865 -1.69124 156 3PZ 0.79234 0.15553 0.02804 0.16583 -1.08800 157 4XX -0.04007 -0.02959 -0.02020 -0.03262 0.02984 158 4YY 0.02524 -0.02407 0.09054 -0.00813 -0.06763 159 4ZZ 0.02377 0.05628 -0.02085 -0.00971 0.01544 160 4XY 0.05831 0.04056 -0.06931 -0.00237 0.00854 161 4XZ 0.06456 -0.03055 -0.00185 0.01937 -0.13480 162 4YZ 0.01217 -0.04232 -0.01980 0.03244 -0.00864 163 17 H 1S -0.06967 -0.19279 0.37107 0.04639 -0.46206 164 2S 0.09712 -0.45715 0.52832 -0.02301 -0.71523 165 18 C 1S 0.00006 -0.01642 -0.00947 0.01666 0.00481 166 2S -0.04857 -0.49820 -0.32020 0.28866 0.20365 167 2PX -0.06808 -0.02244 0.03351 -0.00102 -0.04495 168 2PY -0.12794 -0.13890 0.01028 0.04463 0.06420 169 2PZ 0.05640 0.04266 0.06534 -0.01731 -0.03883 170 3S -0.58773 0.82423 0.28658 -0.62711 1.14886 171 3PX 0.06655 0.29660 -0.23876 -0.14196 0.50592 172 3PY 0.59757 0.89300 -0.87125 -0.32395 0.52837 173 3PZ -0.16180 -1.05641 0.00488 0.65214 -0.89877 174 4XX 0.08233 0.05771 0.00934 -0.05534 -0.08233 175 4YY -0.03705 -0.09318 -0.01636 0.08868 0.01449 176 4ZZ -0.02938 -0.00879 -0.03162 -0.00475 0.09623 177 4XY 0.09857 0.06509 -0.01310 0.04533 -0.00372 178 4XZ -0.10544 -0.05078 0.03422 -0.05121 0.01999 179 4YZ -0.02056 0.01075 0.01063 -0.01141 -0.00596 180 19 H 1S 0.09928 0.33577 -0.20998 -0.19586 0.20464 181 2S 0.24397 0.37374 -0.26589 -0.22627 0.31903 182 20 C 1S 0.00326 0.01822 -0.02032 -0.01388 -0.00055 183 2S 0.10924 0.45362 -0.38061 -0.47404 -0.08869 184 2PX -0.02707 -0.05016 0.04335 0.08454 0.02399 185 2PY 0.05844 -0.13183 -0.13823 0.10190 0.16312 186 2PZ -0.11807 -0.01440 -0.03683 0.06995 -0.03348 187 3S -0.56792 -2.34403 1.30685 0.76040 0.28006 188 3PX -0.15895 -0.10696 -0.19737 -0.59036 -0.36135 189 3PY 0.38745 2.00742 1.06720 -0.23838 -1.69324 190 3PZ 0.79135 0.15551 -0.02797 0.15892 1.08876 191 4XX -0.04002 -0.02947 0.02019 -0.03244 -0.02992 192 4YY 0.02519 -0.02416 -0.09055 -0.00846 0.06763 193 4ZZ 0.02380 0.05622 0.02084 -0.00968 -0.01567 194 4XY -0.05839 -0.04066 -0.06924 0.00226 0.00860 195 4XZ 0.06435 -0.03055 0.00192 0.01864 0.13472 196 4YZ -0.01212 0.04224 -0.01986 -0.03238 -0.00869 197 21 H 1S -0.07007 -0.19286 -0.37099 0.04363 0.46210 198 2S 0.09654 -0.45725 -0.52828 -0.02726 0.71537 199 22 C 1S 0.00006 -0.01643 0.00947 0.01667 -0.00472 200 2S -0.04874 -0.49856 0.32032 0.28954 -0.20222 201 2PX -0.06808 -0.02249 -0.03350 -0.00133 0.04490 202 2PY 0.12789 0.13885 0.01018 -0.04504 0.06413 203 2PZ 0.05631 0.04271 -0.06533 -0.01749 0.03895 204 3S -0.58597 0.82575 -0.28672 -0.61804 -1.15273 205 3PX 0.06640 0.29725 0.23907 -0.13832 -0.50694 206 3PY -0.59734 -0.89307 -0.87059 0.31971 0.52931 207 3PZ -0.16105 -1.05734 -0.00457 0.64501 0.90233 208 4XX 0.08233 0.05781 -0.00935 -0.05575 0.08199 209 4YY -0.03717 -0.09325 0.01638 0.08872 -0.01404 210 4ZZ -0.02929 -0.00883 0.03161 -0.00420 -0.09614 211 4XY -0.09845 -0.06500 -0.01292 -0.04542 -0.00429 212 4XZ -0.10542 -0.05078 -0.03427 -0.05115 -0.02010 213 4YZ 0.02040 -0.01078 0.01066 0.01149 -0.00587 214 23 H 1S 0.09882 0.33591 0.20979 -0.19430 -0.20577 215 2S 0.24347 0.37383 0.26566 -0.22383 -0.32005 131 132 133 134 135 V V V V V Eigenvalues -- 1.34169 1.35790 1.40071 1.40799 1.41787 1 1 C 1S -0.01285 0.00048 0.01127 0.00636 0.00485 2 2S -0.48718 -0.01929 0.10474 -0.03361 -0.05946 3 2PX -0.14680 -0.02758 -0.04637 -0.02449 -0.08356 4 2PY -0.08779 0.03053 0.05805 -0.06529 -0.10461 5 2PZ 0.10512 0.06233 -0.00084 0.01881 0.07170 6 3S 1.26756 -0.08708 -0.75730 -0.41531 -1.03809 7 3PX 0.66693 -0.00041 -0.37255 -0.21905 0.24005 8 3PY 0.23489 0.00364 -0.05290 0.26413 0.89966 9 3PZ -1.04707 -0.07846 0.39201 0.24593 -0.10102 10 4XX 0.05722 -0.17915 -0.02117 -0.03239 0.18280 11 4YY -0.01528 -0.03057 0.04089 -0.01387 -0.01871 12 4ZZ -0.07742 0.21156 -0.02881 0.04925 -0.15486 13 4XY 0.00712 0.03224 0.16335 0.01762 -0.06391 14 4XZ 0.05098 0.07560 -0.10208 0.01635 -0.02507 15 4YZ -0.06384 0.00445 0.14180 -0.02091 -0.10781 16 2 C 1S -0.01954 -0.00400 -0.01021 -0.00270 0.00776 17 2S -0.58801 -0.09588 -0.32628 -0.20127 0.18220 18 2PX -0.16975 -0.06793 -0.00375 -0.08743 0.14846 19 2PY -0.15619 0.01441 -0.08582 -0.05836 0.02265 20 2PZ -0.09782 -0.03533 -0.04112 -0.09206 -0.01733 21 3S 1.73981 0.77707 0.03543 -0.21644 -0.56115 22 3PX 1.40036 0.33814 -0.40600 -0.41594 -1.30735 23 3PY 0.69629 0.00137 1.19332 0.23804 -0.35253 24 3PZ -0.58083 0.10575 0.67726 0.75202 0.93721 25 4XX -0.10346 0.08094 0.01641 0.03403 -0.05243 26 4YY 0.03731 0.04880 -0.00366 0.02358 -0.06716 27 4ZZ 0.06160 -0.13891 -0.05121 -0.05390 0.11541 28 4XY -0.02030 -0.14265 -0.05989 -0.10872 0.20322 29 4XZ 0.10920 -0.00211 -0.08971 0.07242 0.00514 30 4YZ -0.06322 -0.11596 0.00357 -0.03368 0.12273 31 3 C 1S 0.01577 0.02334 -0.02971 -0.01807 -0.01352 32 2S 0.66087 0.46022 -0.49443 -0.54771 -0.15802 33 2PX 0.02810 0.11092 -0.07633 -0.09873 -0.09526 34 2PY -0.01742 0.09485 0.09586 0.04570 0.11282 35 2PZ 0.08721 0.10491 -0.08363 -0.14808 0.13869 36 3S -3.48348 -0.82111 1.28518 1.20477 1.75507 37 3PX 1.11066 -0.16868 0.32113 -0.34471 -0.13130 38 3PY -0.58673 -0.11778 -0.82496 -0.44670 -0.88988 39 3PZ -1.27200 -0.32774 -0.04466 0.71376 -0.02381 40 4XX 0.06908 -0.01046 0.03968 0.02065 -0.06941 41 4YY -0.00245 0.08989 0.01857 0.00104 0.02006 42 4ZZ -0.06902 -0.06491 -0.11410 -0.03087 0.01557 43 4XY -0.03773 -0.03692 0.03186 -0.03600 0.06890 44 4XZ -0.02871 0.00031 -0.00760 0.09257 0.02765 45 4YZ 0.03340 -0.02791 -0.00006 0.00078 -0.10426 46 4 C 1S -0.01583 0.02331 -0.02988 0.01785 -0.01344 47 2S -0.66224 0.45875 -0.49903 0.54405 -0.15621 48 2PX -0.02854 0.11107 -0.07693 0.09824 -0.09495 49 2PY -0.01745 -0.09472 -0.09631 0.04522 -0.11270 50 2PZ -0.08742 0.10454 -0.08482 0.14722 0.13911 51 3S 3.48705 -0.81278 1.29583 -1.19891 1.74942 52 3PX -1.10968 -0.17201 0.31671 0.34858 -0.13036 53 3PY -0.58645 0.11367 0.83056 -0.44182 0.88765 54 3PZ 1.27220 -0.32376 -0.03898 -0.71469 -0.02634 55 4XX -0.06897 -0.01085 0.03978 -0.02007 -0.06920 56 4YY 0.00221 0.08993 0.01854 -0.00092 0.01995 57 4ZZ 0.06910 -0.06454 -0.11428 0.02974 0.01550 58 4XY -0.03794 0.03683 -0.03157 -0.03600 -0.06896 59 4XZ 0.02876 0.00036 -0.00682 -0.09286 0.02727 60 4YZ 0.03340 0.02801 0.00010 0.00053 0.10422 61 5 C 1S 0.01953 -0.00396 -0.01023 0.00257 0.00775 62 2S 0.58780 -0.09464 -0.32809 0.19783 0.18229 63 2PX 0.17010 -0.06777 -0.00443 0.08701 0.14845 64 2PY -0.15597 -0.01473 0.08637 -0.05753 -0.02259 65 2PZ 0.09778 -0.03495 -0.04215 0.09177 -0.01707 66 3S -1.74055 0.77312 0.03281 0.21855 -0.55875 67 3PX -1.40299 0.33650 -0.40987 0.41614 -1.30467 68 3PY 0.69420 0.00093 -1.19588 0.22662 0.35191 69 3PZ 0.58200 0.10549 0.68538 -0.74880 0.93390 70 4XX 0.10317 0.08115 0.01667 -0.03370 -0.05240 71 4YY -0.03749 0.04889 -0.00346 -0.02361 -0.06732 72 4ZZ -0.06115 -0.13922 -0.05165 0.05326 0.11554 73 4XY -0.02056 0.14258 0.06066 -0.10766 -0.20320 74 4XZ -0.10909 -0.00234 -0.08905 -0.07325 0.00511 75 4YZ -0.06358 0.11573 -0.00344 -0.03337 -0.12252 76 6 C 1S 0.01287 0.00051 0.01132 -0.00627 0.00483 77 2S 0.48733 -0.01823 0.10422 0.03460 -0.05955 78 2PX 0.14684 -0.02720 -0.04665 0.02437 -0.08358 79 2PY -0.08762 -0.03072 -0.05748 -0.06601 0.10443 80 2PZ -0.10516 0.06200 -0.00067 -0.01894 0.07170 81 3S -1.26931 -0.08990 -0.75982 0.41154 -1.03704 82 3PX -0.66736 -0.00195 -0.37413 0.21507 0.24137 83 3PY 0.23369 -0.00120 0.04835 0.26705 -0.89746 84 3PZ 1.04767 -0.07603 0.39386 -0.24235 -0.10213 85 4XX -0.05674 -0.17927 -0.02116 0.03167 0.18271 86 4YY 0.01538 -0.03059 0.04061 0.01432 -0.01863 87 4ZZ 0.07686 0.21179 -0.02852 -0.04909 -0.15486 88 4XY 0.00721 -0.03235 -0.16357 0.01627 0.06413 89 4XZ -0.05115 0.07553 -0.10185 -0.01715 -0.02511 90 4YZ -0.06371 -0.00457 -0.14166 -0.02224 0.10779 91 7 H 1S 0.17141 0.00066 -0.07853 -0.03279 0.18469 92 2S 0.33712 0.07172 -0.16855 -0.00707 0.33993 93 8 H 1S -0.21354 0.05208 -0.24937 -0.00370 -0.07684 94 2S -0.11936 -0.00167 -0.23867 0.10306 -0.39351 95 9 H 1S 0.21314 0.05301 -0.24967 0.00180 -0.07667 96 2S 0.11881 -0.00057 -0.23812 -0.10443 -0.39363 97 10 H 1S -0.17134 0.00000 -0.07855 0.03168 0.18468 98 2S -0.33716 0.07056 -0.16821 0.00478 0.33986 99 11 O 1S 0.00575 0.01029 -0.02365 -0.00358 0.00415 100 2S 0.12400 0.24906 -0.26874 0.00177 0.03709 101 2PX 0.16524 0.04009 -0.02390 0.02238 0.02277 102 2PY 0.02673 0.09549 0.02602 0.03601 -0.00886 103 2PZ -0.03670 0.00894 -0.01714 0.03943 -0.02104 104 3S -0.23070 -0.62689 1.20446 0.17468 -0.19779 105 3PX -0.51217 -0.20050 0.11566 -0.01842 0.25547 106 3PY -0.13850 -0.24800 0.24462 0.01123 -0.04761 107 3PZ 0.12899 -0.11076 -0.03881 -0.17738 -0.05288 108 4XX 0.03184 0.09565 -0.04865 0.03458 -0.05675 109 4YY 0.01798 0.04519 -0.09994 -0.00972 0.06398 110 4ZZ 0.04929 0.04515 -0.08742 -0.03070 0.02981 111 4XY 0.07710 0.07969 0.03885 0.05848 -0.14600 112 4XZ 0.05811 0.03749 -0.10583 0.01051 -0.04385 113 4YZ -0.01280 0.08267 0.02415 0.04128 -0.07392 114 12 O 1S -0.00578 0.01029 -0.02370 0.00334 0.00418 115 2S -0.12461 0.24895 -0.26891 -0.00452 0.03732 116 2PX -0.16535 0.03980 -0.02355 -0.02266 0.02272 117 2PY 0.02675 -0.09540 -0.02632 0.03581 0.00894 118 2PZ 0.03665 0.00911 -0.01677 -0.03953 -0.02115 119 3S 0.23257 -0.62698 1.20666 -0.16285 -0.19897 120 3PX 0.51300 -0.19973 0.11574 0.01869 0.25501 121 3PY -0.13866 0.24771 -0.24484 0.00868 0.04809 122 3PZ -0.12887 -0.11095 -0.04054 0.17722 -0.05237 123 4XX -0.03223 0.09574 -0.04837 -0.03503 -0.05693 124 4YY -0.01800 0.04514 -0.10010 0.00863 0.06419 125 4ZZ -0.04936 0.04504 -0.08776 0.02986 0.03000 126 4XY 0.07731 -0.07941 -0.03920 0.05772 0.14581 127 4XZ -0.05821 0.03747 -0.10573 -0.01134 -0.04381 128 4YZ -0.01264 -0.08264 -0.02454 0.04086 0.07385 129 13 C 1S -0.00001 0.00825 -0.04011 -0.00013 0.02108 130 2S 0.00005 -0.00579 -0.53339 -0.00164 0.21998 131 2PX -0.00030 0.21357 -0.08680 -0.00044 -0.02140 132 2PY 0.00161 0.00011 -0.00029 0.08174 0.00005 133 2PZ -0.00011 0.06684 -0.09945 -0.00044 -0.00667 134 3S 0.00045 -0.63333 1.44637 0.00388 -0.59009 135 3PX 0.00120 -0.75184 0.32486 0.00186 -0.07616 136 3PY -0.31745 -0.00143 -0.00022 0.19227 -0.00024 137 3PZ 0.00081 -0.78572 0.31236 0.00109 -0.09797 138 4XX -0.00008 0.05080 -0.05113 -0.00015 -0.01165 139 4YY 0.00000 0.02522 0.00706 -0.00013 0.09632 140 4ZZ 0.00008 -0.08644 -0.01717 0.00009 -0.05777 141 4XY 0.00843 0.00004 -0.00036 0.03756 0.00020 142 4XZ 0.00000 0.05467 0.00416 -0.00021 0.07388 143 4YZ -0.04567 -0.00001 -0.00098 0.21120 0.00047 144 14 H 1S -0.00028 0.23259 -0.22569 -0.00086 0.12641 145 2S -0.00054 0.39364 -0.39291 -0.00163 0.07009 146 15 H 1S 0.00013 -0.10656 -0.07528 -0.00016 0.02442 147 2S 0.00028 -0.19448 -0.08224 -0.00034 0.17211 148 16 C 1S 0.00713 -0.03140 0.03841 -0.00189 -0.00212 149 2S 0.39686 -0.25634 0.43371 -0.21047 -0.11573 150 2PX -0.19103 0.01804 -0.05143 0.06574 0.08653 151 2PY -0.01116 -0.11383 -0.06065 -0.03613 0.04911 152 2PZ -0.13078 0.00569 -0.04425 0.14792 0.01341 153 3S -0.53216 0.86215 -1.35982 2.51359 0.28547 154 3PX 0.07233 0.13893 0.11602 -0.05281 0.04040 155 3PY -0.11428 0.20297 0.67019 1.47381 -0.06251 156 3PZ 0.39613 0.28141 0.35609 0.94562 0.16118 157 4XX -0.10214 0.06486 0.05710 0.00856 0.12492 158 4YY 0.05964 -0.00017 -0.00436 -0.02602 -0.03544 159 4ZZ 0.04285 -0.10694 -0.01151 0.05943 -0.08136 160 4XY 0.07550 -0.11480 -0.00909 -0.29377 -0.07823 161 4XZ 0.00790 -0.14752 -0.06093 -0.08139 -0.15255 162 4YZ 0.04084 -0.02345 0.02280 -0.03917 -0.04772 163 17 H 1S -0.05152 -0.16038 0.35919 0.14317 0.00976 164 2S 0.08501 0.06928 0.46127 0.34735 -0.08821 165 18 C 1S 0.01810 -0.00040 0.00803 0.05863 -0.00391 166 2S 0.50589 -0.08371 0.16477 1.01878 -0.06595 167 2PX -0.16062 -0.04156 -0.02496 0.02358 -0.00619 168 2PY -0.03231 -0.09505 0.12204 -0.02958 -0.02169 169 2PZ -0.01043 0.15470 -0.11304 -0.05749 0.04839 170 3S -1.40954 -0.53227 0.17031 -5.74861 -0.15570 171 3PX 0.36923 0.01263 -0.17699 -0.67385 -0.00697 172 3PY -0.07913 0.38572 -0.61658 -2.05201 0.16774 173 3PZ -0.09613 -0.11007 0.39045 2.44292 -0.11290 174 4XX -0.03341 -0.02555 -0.00816 -0.11300 -0.07263 175 4YY 0.00648 -0.04727 0.04022 -0.00757 -0.00556 176 4ZZ 0.04571 0.09358 -0.02794 0.14028 0.06598 177 4XY -0.00226 0.21881 0.26814 -0.06125 0.18362 178 4XZ -0.08418 0.15467 -0.00385 0.11850 0.20222 179 4YZ -0.02053 -0.02897 0.16217 0.01237 0.03032 180 19 H 1S 0.09756 0.02273 -0.14467 -0.23289 0.04463 181 2S 0.26844 0.22511 -0.31303 -0.58116 0.11270 182 20 C 1S -0.00705 -0.03146 0.03841 0.00218 -0.00215 183 2S -0.39639 -0.25765 0.43221 0.21405 -0.11545 184 2PX 0.19109 0.01833 -0.05088 -0.06632 0.08628 185 2PY -0.01135 0.11359 0.06083 -0.03562 -0.04913 186 2PZ 0.13075 0.00622 -0.04325 -0.14834 0.01314 187 3S 0.53085 0.86660 -1.34134 -2.52327 0.28207 188 3PX -0.07261 0.13949 0.11548 0.05332 0.04068 189 3PY -0.11454 -0.20231 -0.68033 1.46764 0.06505 190 3PZ -0.39621 0.27954 0.36371 -0.94317 0.15900 191 4XX 0.10205 0.06506 0.05694 -0.00799 0.12500 192 4YY -0.05966 -0.00041 -0.00454 0.02592 -0.03542 193 4ZZ -0.04260 -0.10697 -0.01085 -0.05957 -0.08161 194 4XY 0.07538 0.11504 0.01154 -0.29375 0.07751 195 4XZ -0.00762 -0.14780 -0.06145 0.08104 -0.15257 196 4YZ 0.04079 0.02343 -0.02233 -0.03940 0.04729 197 21 H 1S 0.05208 -0.16084 0.36011 -0.14040 0.00930 198 2S -0.08486 0.06819 0.46366 -0.34336 -0.08895 199 22 C 1S -0.01808 -0.00040 0.00848 -0.05856 -0.00400 200 2S -0.50524 -0.08399 0.17305 -1.01722 -0.06755 201 2PX 0.16064 -0.04124 -0.02488 -0.02367 -0.00626 202 2PY -0.03249 0.09487 -0.12182 -0.03067 0.02167 203 2PZ 0.00999 0.15465 -0.11351 0.05652 0.04849 204 3S 1.40959 -0.53177 0.12604 5.75017 -0.14630 205 3PX -0.36924 0.01177 -0.18172 0.67347 -0.00557 206 3PY -0.07839 -0.38499 0.63077 -2.04551 -0.17087 207 3PZ 0.09695 -0.10868 0.40847 -2.43969 -0.11709 208 4XX 0.03343 -0.02539 -0.00876 0.11304 -0.07224 209 4YY -0.00631 -0.04752 0.03995 0.00783 -0.00574 210 4ZZ -0.04592 0.09365 -0.02690 -0.14048 0.06575 211 4XY -0.00194 -0.21880 -0.26765 -0.06288 -0.18390 212 4XZ 0.08392 0.15490 -0.00301 -0.11869 0.20203 213 4YZ -0.02061 0.02894 -0.16222 0.01118 -0.03018 214 23 H 1S -0.09764 0.02244 -0.14606 0.23152 0.04501 215 2S -0.26898 0.22426 -0.31673 0.57831 0.11367 136 137 138 139 140 V V V V V Eigenvalues -- 1.42116 1.43718 1.45360 1.48634 1.52252 1 1 C 1S 0.01268 -0.00046 -0.00772 0.00266 -0.00741 2 2S 0.28289 -0.03107 -0.19868 -0.02130 -0.03263 3 2PX 0.06409 0.05660 0.02847 0.07076 0.05982 4 2PY 0.02954 -0.04317 -0.02223 -0.00932 0.00079 5 2PZ -0.01553 0.04477 0.08252 0.10350 -0.03051 6 3S -1.79488 -0.10454 1.08361 -0.13220 0.83306 7 3PX -0.57988 -0.06817 0.49596 0.02687 0.05490 8 3PY -1.58977 0.07602 0.08962 0.15087 -0.42701 9 3PZ 0.52324 0.05691 -0.58406 -0.06888 -0.07856 10 4XX -0.06758 -0.15992 -0.25592 -0.25240 0.00757 11 4YY -0.00879 0.04607 -0.00914 -0.01903 0.01354 12 4ZZ 0.07795 0.09418 0.26012 0.28112 -0.03950 13 4XY -0.02712 -0.16957 0.05662 -0.27750 -0.12339 14 4XZ 0.01808 -0.06801 0.04229 -0.00935 -0.03423 15 4YZ -0.00143 -0.14748 0.01504 -0.25115 -0.02987 16 2 C 1S -0.01369 -0.00261 0.00881 0.00675 -0.00486 17 2S -0.16557 0.05611 0.10389 0.09358 0.19390 18 2PX -0.08366 0.03020 -0.04741 0.01521 0.02128 19 2PY 0.00081 0.01723 0.02332 0.01054 0.01409 20 2PZ 0.12616 -0.02191 -0.02653 -0.03015 0.04494 21 3S 1.92151 -0.93906 -0.67046 -0.54651 -0.99113 22 3PX 0.94965 -0.24611 0.38300 -0.34629 0.53447 23 3PY 0.54218 0.54240 -0.45586 -0.25895 0.18755 24 3PZ -1.02653 0.23414 -0.22204 0.30213 -0.62447 25 4XX -0.10587 -0.14113 0.23203 0.11033 0.04169 26 4YY 0.08913 0.01282 0.07032 -0.01637 -0.01698 27 4ZZ 0.02254 0.09907 -0.30090 -0.08708 -0.03856 28 4XY -0.14614 -0.11318 -0.22517 -0.00444 0.02465 29 4XZ -0.04318 -0.14380 -0.05620 -0.00138 -0.02931 30 4YZ -0.16750 -0.15174 -0.15783 0.07915 0.09164 31 3 C 1S 0.03154 -0.02108 -0.00510 -0.00940 0.01823 32 2S 0.35608 -0.33623 0.03246 -0.16435 0.25234 33 2PX -0.00545 -0.07044 0.06502 -0.05237 0.14006 34 2PY -0.03732 -0.03022 -0.00848 -0.02393 -0.11675 35 2PZ 0.03004 0.03311 0.04785 -0.07993 -0.00551 36 3S -2.14976 0.88093 0.35262 0.66646 -1.00381 37 3PX 0.78247 0.27324 -0.22054 -0.17746 -0.16881 38 3PY 0.62087 -0.20614 0.33109 -0.16593 0.51237 39 3PZ -0.46797 -0.04907 -0.22230 0.30063 0.07631 40 4XX 0.12257 0.12159 -0.05923 -0.17354 0.08434 41 4YY -0.00864 -0.01588 0.01388 -0.00547 0.02819 42 4ZZ -0.10395 -0.15238 0.04918 0.18999 -0.07981 43 4XY -0.02994 -0.00405 -0.01140 0.07730 -0.38204 44 4XZ -0.05156 -0.10117 0.00306 0.10485 -0.17781 45 4YZ 0.03558 -0.00057 -0.04237 -0.02807 -0.10999 46 4 C 1S -0.03151 -0.02110 0.00508 -0.00939 0.01823 47 2S -0.35549 -0.33659 -0.03274 -0.16410 0.25246 48 2PX 0.00565 -0.07043 -0.06514 -0.05230 0.14001 49 2PY -0.03739 0.03015 -0.00851 0.02391 0.11677 50 2PZ -0.02981 0.03300 -0.04783 -0.07988 -0.00560 51 3S 2.15024 0.88197 -0.35159 0.66599 -1.00601 52 3PX -0.78405 0.27245 0.22058 -0.17781 -0.16755 53 3PY 0.62062 0.20669 0.33150 0.16598 -0.51188 54 3PZ 0.46812 -0.04879 0.22238 0.30067 0.07590 55 4XX -0.12272 0.12138 0.05933 -0.17335 0.08386 56 4YY 0.00864 -0.01587 -0.01391 -0.00554 0.02851 57 4ZZ 0.10415 -0.15219 -0.04926 0.18990 -0.07971 58 4XY -0.03010 0.00421 -0.01138 -0.07747 0.38208 59 4XZ 0.05161 -0.10104 -0.00307 0.10477 -0.17783 60 4YZ 0.03575 0.00057 -0.04240 0.02805 0.10991 61 5 C 1S 0.01372 -0.00261 -0.00880 0.00675 -0.00490 62 2S 0.16612 0.05586 -0.10374 0.09371 0.19335 63 2PX 0.08386 0.03007 0.04745 0.01527 0.02118 64 2PY 0.00079 -0.01714 0.02332 -0.01055 -0.01405 65 2PZ -0.12614 -0.02209 0.02652 -0.03017 0.04499 66 3S -1.92188 -0.93950 0.66938 -0.54706 -0.98796 67 3PX -0.95135 -0.24578 -0.38310 -0.34659 0.53482 68 3PY 0.54350 -0.54272 -0.45629 0.25889 -0.18958 69 3PZ 1.02709 0.23495 0.22229 0.30214 -0.62420 70 4XX 0.10605 -0.14092 -0.23187 0.11017 0.04184 71 4YY -0.08940 0.01298 -0.07061 -0.01635 -0.01704 72 4ZZ -0.02242 0.09873 0.30103 -0.08693 -0.03862 73 4XY -0.14635 0.11315 -0.22526 0.00458 -0.02459 74 4XZ 0.04348 -0.14381 0.05619 -0.00134 -0.02921 75 4YZ -0.16771 0.15162 -0.15771 -0.07908 -0.09169 76 6 C 1S -0.01269 -0.00046 0.00772 0.00265 -0.00737 77 2S -0.28301 -0.03130 0.19859 -0.02141 -0.03181 78 2PX -0.06420 0.05651 -0.02845 0.07075 0.05994 79 2PY 0.02965 0.04329 -0.02216 0.00935 -0.00076 80 2PZ 0.01558 0.04483 -0.08247 0.10351 -0.03062 81 3S 1.79425 -0.10427 -1.08376 -0.13143 0.82760 82 3PX 0.58162 -0.06791 -0.49590 0.02718 0.05249 83 3PY -1.59051 -0.07647 0.08894 -0.15123 0.42923 84 3PZ -0.52379 0.05676 0.58396 -0.06915 -0.07623 85 4XX 0.06797 -0.16026 0.25579 -0.25268 0.00738 86 4YY 0.00868 0.04623 0.00923 -0.01871 0.01368 87 4ZZ -0.07819 0.09436 -0.26009 0.28108 -0.03946 88 4XY -0.02697 0.16934 0.05694 0.27734 0.12340 89 4XZ -0.01798 -0.06805 -0.04235 -0.00952 -0.03424 90 4YZ -0.00129 0.14744 0.01512 0.25114 0.02981 91 7 H 1S -0.18915 0.01279 0.04792 0.01320 -0.04226 92 2S -0.34511 -0.05616 0.14985 0.05648 -0.13184 93 8 H 1S 0.14535 -0.08479 -0.03190 -0.03443 0.09242 94 2S 0.08569 -0.21988 -0.03495 0.07636 0.28612 95 9 H 1S -0.14511 -0.08490 0.03182 -0.03440 0.09242 96 2S -0.08573 -0.21982 0.03475 0.07642 0.28607 97 10 H 1S 0.18944 0.01282 -0.04783 0.01325 -0.04262 98 2S 0.34572 -0.05603 -0.14975 0.05657 -0.13270 99 11 O 1S 0.00871 -0.02738 0.00312 0.00201 -0.01764 100 2S 0.13689 -0.48572 0.05114 -0.01313 -0.42472 101 2PX -0.06335 -0.03697 -0.02747 0.00508 -0.02252 102 2PY 0.03374 -0.09037 0.01891 -0.02061 -0.15046 103 2PZ -0.03064 -0.03920 -0.04101 0.02018 0.02746 104 3S -0.40365 1.49637 -0.18672 -0.02672 1.14114 105 3PX -0.12004 0.09844 -0.11939 0.05422 0.00769 106 3PY -0.19232 0.51156 -0.01413 0.03213 0.45742 107 3PZ 0.10558 -0.00345 -0.00559 -0.05061 0.12656 108 4XX 0.03272 -0.11904 0.14168 0.04418 -0.06409 109 4YY -0.00968 -0.19457 -0.03144 0.01071 -0.11759 110 4ZZ 0.08244 -0.05534 -0.06821 -0.04888 -0.11153 111 4XY 0.10071 0.07869 0.13020 -0.03396 -0.02744 112 4XZ 0.04823 -0.05562 0.00939 -0.03712 -0.02571 113 4YZ 0.08403 0.09109 0.13651 -0.03622 -0.10922 114 12 O 1S -0.00867 -0.02738 -0.00314 0.00201 -0.01766 115 2S -0.13625 -0.48570 -0.05156 -0.01318 -0.42497 116 2PX 0.06339 -0.03695 0.02742 0.00506 -0.02265 117 2PY 0.03377 0.09031 0.01903 0.02063 0.15042 118 2PZ 0.03067 -0.03914 0.04097 0.02014 0.02750 119 3S 0.40123 1.49654 0.18786 -0.02661 1.14230 120 3PX 0.12036 0.09866 0.11953 0.05424 0.00810 121 3PY -0.19159 -0.51152 -0.01448 -0.03217 -0.45757 122 3PZ -0.10567 -0.00367 0.00561 -0.05058 0.12652 123 4XX -0.03279 -0.11880 -0.14195 0.04409 -0.06414 124 4YY 0.01012 -0.19467 0.03145 0.01072 -0.11766 125 4ZZ -0.08228 -0.05548 0.06817 -0.04883 -0.11161 126 4XY 0.10094 -0.07866 0.13002 0.03393 0.02753 127 4XZ -0.04822 -0.05553 -0.00955 -0.03713 -0.02579 128 4YZ 0.08414 -0.09117 0.13647 0.03617 0.10922 129 13 C 1S 0.00001 0.03752 0.00001 -0.01516 -0.04339 130 2S 0.00007 0.57533 0.00017 -0.25317 -0.66170 131 2PX 0.00017 -0.27213 -0.00009 0.07999 0.14722 132 2PY 0.04411 -0.00007 -0.03502 0.00005 0.00007 133 2PZ 0.00010 -0.03531 -0.00002 0.05130 -0.09543 134 3S -0.00032 -0.98803 -0.00026 0.67309 1.45568 135 3PX -0.00104 0.66538 0.00033 -0.20118 -0.23784 136 3PY 0.49982 0.00026 -0.07429 0.00015 -0.00010 137 3PZ -0.00051 0.25642 0.00016 -0.00260 0.47676 138 4XX 0.00022 -0.05956 -0.00010 0.02003 0.03629 139 4YY -0.00009 0.08409 0.00010 0.01272 -0.12382 140 4ZZ -0.00012 0.03395 0.00002 -0.04174 0.03420 141 4XY -0.29231 -0.00023 0.11761 -0.00007 -0.00002 142 4XZ 0.00013 0.00777 0.00000 0.03428 -0.10106 143 4YZ -0.27248 -0.00021 0.07869 -0.00001 -0.00010 144 14 H 1S 0.00023 0.10333 0.00000 -0.10401 -0.21412 145 2S 0.00045 -0.23877 -0.00012 0.05415 -0.04810 146 15 H 1S -0.00010 0.18116 0.00007 -0.03171 -0.06855 147 2S -0.00004 0.23974 0.00010 -0.09713 -0.04976 148 16 C 1S -0.01267 0.01396 -0.00054 0.01224 -0.00830 149 2S -0.07941 0.15157 0.12538 0.09476 -0.09536 150 2PX -0.02330 0.02739 -0.05619 -0.02250 0.02890 151 2PY -0.03891 0.13179 -0.02257 0.00989 -0.16189 152 2PZ 0.05731 -0.01769 -0.04124 0.00467 0.03104 153 3S 0.74227 -0.17654 -1.05680 -0.50182 -0.21146 154 3PX 0.11015 0.08831 0.08079 0.02203 -0.24763 155 3PY 0.63307 -0.19888 -0.34232 0.03867 0.06634 156 3PZ -0.22315 -0.14476 -0.36094 0.03081 -0.04052 157 4XX 0.20910 0.11826 -0.08691 -0.04519 -0.06994 158 4YY -0.03362 -0.03363 0.01851 -0.03784 0.11859 159 4ZZ -0.18454 -0.04613 0.04744 0.07942 -0.05397 160 4XY 0.07351 0.00199 0.01921 0.01893 -0.07290 161 4XZ -0.16878 -0.05162 0.07574 0.03262 -0.00456 162 4YZ 0.14642 -0.03099 -0.04630 -0.01836 0.01414 163 17 H 1S 0.02852 0.04076 -0.01066 0.14037 -0.12114 164 2S 0.14549 -0.10549 -0.01929 0.03718 0.13872 165 18 C 1S 0.00646 -0.00114 -0.01793 0.00066 0.00326 166 2S 0.00572 -0.09196 -0.35107 -0.00902 -0.01052 167 2PX 0.09280 0.11185 -0.04353 -0.04651 0.05031 168 2PY -0.03410 0.02501 0.01875 0.04208 -0.00034 169 2PZ -0.00001 -0.01511 0.04870 -0.06925 0.02179 170 3S -0.77066 0.26635 1.96112 0.19368 0.15930 171 3PX -0.26299 -0.02581 0.31602 0.00245 -0.15606 172 3PY -0.78766 0.03612 0.68326 -0.15820 -0.27703 173 3PZ 0.53891 -0.20655 -1.02962 0.05857 0.23279 174 4XX -0.04634 0.01084 0.06561 0.05416 -0.05989 175 4YY -0.01490 -0.02156 0.00046 0.01902 0.05538 176 4ZZ 0.06534 0.02877 -0.06940 -0.09535 0.03463 177 4XY 0.05380 -0.11938 -0.00169 0.13359 0.09835 178 4XZ 0.15288 0.16974 -0.08533 -0.13719 -0.01118 179 4YZ -0.00063 -0.01668 -0.00538 0.13513 -0.05480 180 19 H 1S -0.14693 0.10341 0.12433 0.02150 -0.21007 181 2S -0.30047 0.02936 0.25846 -0.11543 -0.16598 182 20 C 1S 0.01261 0.01396 0.00056 0.01225 -0.00828 183 2S 0.07866 0.15158 -0.12524 0.09484 -0.09509 184 2PX 0.02344 0.02748 0.05624 -0.02245 0.02879 185 2PY -0.03890 -0.13183 -0.02263 -0.00992 0.16188 186 2PZ -0.05727 -0.01770 0.04124 0.00454 0.03103 187 3S -0.74048 -0.17566 1.05655 -0.50354 -0.21218 188 3PX -0.11060 0.08817 -0.08053 0.02186 -0.24739 189 3PY 0.63391 0.19905 -0.34243 -0.03765 -0.06604 190 3PZ 0.22352 -0.14412 0.36082 0.03044 -0.04050 191 4XX -0.20916 0.11805 0.08698 -0.04522 -0.07003 192 4YY 0.03363 -0.03366 -0.01853 -0.03784 0.11867 193 4ZZ 0.18451 -0.04589 -0.04746 0.07944 -0.05397 194 4XY 0.07339 -0.00158 0.01929 -0.01898 0.07289 195 4XZ 0.16858 -0.05164 -0.07573 0.03269 -0.00474 196 4YZ 0.14657 0.03112 -0.04632 0.01846 -0.01400 197 21 H 1S -0.02899 0.04066 0.01077 0.14031 -0.12122 198 2S -0.14608 -0.10556 0.01927 0.03698 0.13869 199 22 C 1S -0.00647 -0.00110 0.01793 0.00063 0.00326 200 2S -0.00601 -0.09117 0.35104 -0.00953 -0.01050 201 2PX -0.09286 0.11174 0.04358 -0.04651 0.05036 202 2PY -0.03392 -0.02496 0.01874 -0.04211 0.00034 203 2PZ 0.00026 -0.01513 -0.04873 -0.06922 0.02179 204 3S 0.76991 0.26352 -1.96100 0.19698 0.15988 205 3PX 0.26369 -0.02566 -0.31644 0.00296 -0.15616 206 3PY -0.78859 -0.03583 0.68294 0.15659 0.27647 207 3PZ -0.53966 -0.20588 1.02967 0.05686 0.23257 208 4XX 0.04620 0.01062 -0.06558 0.05439 -0.05990 209 4YY 0.01489 -0.02143 -0.00046 0.01893 0.05527 210 4ZZ -0.06521 0.02886 0.06937 -0.09547 0.03475 211 4XY 0.05377 0.11946 -0.00172 -0.13357 -0.09844 212 4XZ -0.15272 0.16971 0.08544 -0.13720 -0.01108 213 4YZ -0.00057 0.01677 -0.00538 -0.13517 0.05478 214 23 H 1S 0.14712 0.10353 -0.12426 0.02177 -0.20999 215 2S 0.30109 0.02947 -0.25847 -0.11484 -0.16585 141 142 143 144 145 V V V V V Eigenvalues -- 1.53989 1.54517 1.62912 1.64040 1.65242 1 1 C 1S 0.01633 0.00777 -0.05402 0.00255 -0.04454 2 2S 0.34881 0.04329 -1.00657 0.00993 -0.71681 3 2PX 0.06382 -0.01972 -0.15571 0.01109 -0.04562 4 2PY 0.00277 0.03381 -0.03937 0.01125 -0.05157 5 2PZ -0.06407 0.04848 0.10501 -0.00761 0.01745 6 3S -2.02150 -0.65102 6.24080 -0.14012 5.23436 7 3PX -0.98369 -0.21576 2.45345 0.15313 1.96067 8 3PY -0.68321 0.10327 2.60504 0.24364 1.15713 9 3PZ 1.05214 0.21702 -2.56079 -0.13326 -2.10219 10 4XX 0.04905 -0.07015 0.01701 0.10300 0.04341 11 4YY 0.01221 0.02282 0.03138 -0.07985 0.01335 12 4ZZ -0.05812 0.03669 -0.01339 0.01166 -0.01438 13 4XY -0.04746 -0.02575 0.02750 -0.02458 0.01104 14 4XZ -0.03284 -0.07998 0.05723 0.08678 0.02116 15 4YZ -0.01198 -0.03238 -0.02222 -0.00062 -0.02784 16 2 C 1S -0.00939 -0.00188 0.02790 0.00863 0.03297 17 2S -0.15041 -0.23318 0.51712 0.26735 0.65081 18 2PX -0.02748 -0.00556 0.13926 0.04827 -0.00050 19 2PY -0.02608 -0.07298 0.00845 0.08811 0.00479 20 2PZ 0.03290 -0.05452 -0.08663 -0.04805 0.03235 21 3S 0.82964 0.28491 -3.96819 -0.41364 -4.57793 22 3PX -0.30483 -0.34275 -0.06050 -0.49778 0.21518 23 3PY 0.78591 0.58407 -1.64725 -0.77584 -2.34792 24 3PZ 0.15122 0.63316 -0.21957 0.29848 -0.94084 25 4XX -0.25539 0.08343 -0.03294 -0.01875 -0.16369 26 4YY 0.05922 -0.02644 -0.04334 0.02777 0.04001 27 4ZZ 0.21598 -0.07515 0.01261 0.01848 0.07651 28 4XY -0.08459 0.03321 0.04228 -0.09044 -0.05296 29 4XZ -0.02402 -0.05804 -0.09264 0.16016 0.03543 30 4YZ -0.12898 0.07187 -0.06426 0.01347 -0.07791 31 3 C 1S 0.01923 -0.00602 -0.01467 -0.01380 0.01018 32 2S 0.29956 -0.00143 -0.18325 -0.04812 -0.13489 33 2PX 0.12863 0.05898 -0.04183 -0.01896 -0.02192 34 2PY 0.03163 0.07479 -0.04681 -0.02624 -0.15779 35 2PZ -0.06405 0.00335 0.13884 0.06314 -0.08600 36 3S -1.65673 0.49005 2.43948 0.77314 2.35252 37 3PX -0.22029 -0.13895 -0.42425 -0.12004 -1.50200 38 3PY -0.62887 -0.57752 0.46178 -0.17563 1.63586 39 3PZ 0.72292 -0.08892 -0.08388 0.27974 2.05106 40 4XX 0.12497 -0.13641 0.04900 0.14688 0.09596 41 4YY 0.00303 0.09893 0.01432 -0.01669 -0.02801 42 4ZZ -0.11938 -0.01470 -0.04110 -0.09939 0.03594 43 4XY 0.00961 0.08964 0.05722 -0.24651 -0.00403 44 4XZ -0.02766 -0.03188 -0.06164 0.13400 0.02978 45 4YZ 0.12013 -0.02044 -0.00884 -0.08144 0.09920 46 4 C 1S -0.01923 -0.00605 0.01469 -0.01379 -0.01017 47 2S -0.29984 -0.00184 0.18319 -0.04756 0.13470 48 2PX -0.12876 0.05886 0.04181 -0.01888 0.02206 49 2PY 0.03174 -0.07480 -0.04679 0.02594 -0.15784 50 2PZ 0.06396 0.00351 -0.13897 0.06315 0.08587 51 3S 1.65625 0.49211 -2.44015 0.76644 -2.35315 52 3PX 0.22063 -0.13881 0.42428 -0.11745 1.50098 53 3PY -0.62971 0.57741 0.46187 0.17853 1.63654 54 3PZ -0.72270 -0.09070 0.08384 0.27646 -2.05081 55 4XX -0.12483 -0.13650 -0.04932 0.14639 -0.09624 56 4YY -0.00322 0.09885 -0.01422 -0.01647 0.02791 57 4ZZ 0.11952 -0.01457 0.04127 -0.09929 -0.03562 58 4XY 0.00956 -0.08981 0.05672 0.24669 -0.00476 59 4XZ 0.02760 -0.03190 0.06153 0.13400 -0.02997 60 4YZ 0.12014 0.02066 -0.00892 0.08170 0.09910 61 5 C 1S 0.00940 -0.00187 -0.02791 0.00855 -0.03296 62 2S 0.15084 -0.23302 -0.51746 0.26588 -0.65095 63 2PX 0.02751 -0.00549 -0.13933 0.04820 0.00031 64 2PY -0.02613 0.07292 0.00847 -0.08806 0.00484 65 2PZ -0.03278 -0.05458 0.08668 -0.04800 -0.03217 66 3S -0.83105 0.28481 3.96865 -0.40230 4.57826 67 3PX 0.30486 -0.34246 0.06212 -0.49841 -0.21264 68 3PY 0.78692 -0.58349 -1.64808 0.77021 -2.34786 69 3PZ -0.15220 0.63351 0.21926 0.29999 0.94011 70 4XX 0.25544 0.08387 0.03292 -0.01852 0.16385 71 4YY -0.05931 -0.02658 0.04334 0.02788 -0.04015 72 4ZZ -0.21593 -0.07549 -0.01262 0.01827 -0.07656 73 4XY -0.08430 -0.03328 0.04215 0.09031 -0.05307 74 4XZ 0.02415 -0.05800 0.09245 0.16026 -0.03549 75 4YZ -0.12893 -0.07214 -0.06420 -0.01358 -0.07787 76 6 C 1S -0.01635 0.00776 0.05402 0.00268 0.04454 77 2S -0.34891 0.04297 1.00654 0.01215 0.71686 78 2PX -0.06376 -0.01979 0.15571 0.01135 0.04568 79 2PY 0.00279 -0.03385 -0.03924 -0.01136 -0.05140 80 2PZ 0.06402 0.04859 -0.10499 -0.00777 -0.01751 81 3S 2.02279 -0.64922 -6.24068 -0.15493 -5.23385 82 3PX 0.98448 -0.21466 -2.45541 0.14770 -1.96147 83 3PY -0.68219 -0.10468 2.60350 -0.23872 1.15579 84 3PZ -1.05254 0.21598 2.56108 -0.12733 2.10221 85 4XX -0.04901 -0.07026 -0.01718 0.10288 -0.04349 86 4YY -0.01229 0.02283 -0.03124 -0.07987 -0.01321 87 4ZZ 0.05816 0.03677 0.01336 0.01170 0.01430 88 4XY -0.04743 0.02561 0.02747 0.02475 0.01088 89 4XZ 0.03290 -0.07998 -0.05737 0.08669 -0.02109 90 4YZ -0.01194 0.03229 -0.02228 0.00061 -0.02780 91 7 H 1S -0.17137 -0.02853 0.43143 0.09568 0.18457 92 2S -0.39454 -0.05048 1.03230 0.11998 0.61244 93 8 H 1S 0.23794 -0.08102 -0.11507 -0.00456 0.42611 94 2S 0.33090 -0.11510 -0.22665 0.10957 0.86947 95 9 H 1S -0.23780 -0.08156 0.11509 -0.00509 -0.42599 96 2S -0.33064 -0.11599 0.22655 0.10842 -0.86947 97 10 H 1S 0.17136 -0.02827 -0.43154 0.09492 -0.18468 98 2S 0.39456 -0.04994 -1.03245 0.11791 -0.61244 99 11 O 1S -0.00583 -0.00803 -0.01019 0.01638 0.00367 100 2S -0.07395 0.01128 -0.28192 0.20796 -0.15524 101 2PX -0.04477 0.05244 0.02788 -0.03921 -0.06150 102 2PY -0.00340 0.04245 -0.09693 0.01488 -0.13545 103 2PZ -0.03434 0.02932 -0.07470 0.01711 -0.04175 104 3S 0.35687 0.26940 0.53798 -0.79537 -0.08032 105 3PX 0.07656 0.00788 -0.03104 0.06667 0.00258 106 3PY 0.04322 -0.00027 0.39630 -0.19159 0.26818 107 3PZ 0.01439 -0.10758 0.13426 -0.08340 0.16287 108 4XX -0.09956 0.01905 -0.04160 0.05450 -0.07179 109 4YY -0.06481 0.01745 -0.07845 0.06666 -0.05064 110 4ZZ 0.09917 -0.06422 -0.05075 0.04661 0.05642 111 4XY 0.09056 -0.03817 0.01861 0.04703 0.09236 112 4XZ 0.01741 -0.09112 -0.07642 0.13503 0.06614 113 4YZ 0.07010 0.00454 0.03193 -0.04756 0.00813 114 12 O 1S 0.00583 -0.00801 0.01017 0.01639 -0.00366 115 2S 0.07365 0.01152 0.28170 0.20854 0.15531 116 2PX 0.04468 0.05254 -0.02775 -0.03911 0.06175 117 2PY -0.00322 -0.04247 -0.09695 -0.01519 -0.13541 118 2PZ 0.03431 0.02936 0.07468 0.01727 0.04169 119 3S -0.35648 0.26853 -0.53707 -0.79598 0.08006 120 3PX -0.07656 0.00785 0.03069 0.06650 -0.00308 121 3PY 0.04286 0.00052 0.39611 0.19251 0.26825 122 3PZ -0.01420 -0.10766 -0.13418 -0.08380 -0.16271 123 4XX 0.09940 0.01917 0.04152 0.05476 0.07168 124 4YY 0.06483 0.01765 0.07841 0.06679 0.05081 125 4ZZ -0.09918 -0.06435 0.05068 0.04652 -0.05645 126 4XY 0.09057 0.03835 0.01866 -0.04683 0.09257 127 4XZ -0.01741 -0.09120 0.07620 0.13502 -0.06622 128 4YZ 0.07013 -0.00448 0.03192 0.04774 0.00798 129 13 C 1S 0.00005 -0.08844 0.00002 -0.04239 0.00006 130 2S 0.00078 -1.21813 0.00024 -0.55155 0.00079 131 2PX -0.00001 0.05345 0.00005 -0.06658 0.00003 132 2PY -0.02906 0.00000 -0.06369 -0.00002 0.00212 133 2PZ -0.00002 -0.06365 -0.00009 0.09659 -0.00002 134 3S -0.00261 3.85033 -0.00092 2.27219 -0.00300 135 3PX 0.00081 -0.67333 0.00020 -0.12632 0.00014 136 3PY -0.35480 -0.00043 -0.13288 0.00021 0.34461 137 3PZ 0.00008 0.44836 0.00031 0.03037 -0.00040 138 4XX -0.00004 -0.17872 0.00005 -0.12566 0.00023 139 4YY -0.00005 0.15701 -0.00016 0.27713 -0.00028 140 4ZZ 0.00013 -0.05407 0.00011 -0.16139 0.00008 141 4XY 0.32232 0.00010 0.02111 -0.00023 -0.20424 142 4XZ -0.00029 0.19524 -0.00020 0.28682 -0.00021 143 4YZ 0.25880 0.00031 -0.02558 0.00028 0.06550 144 14 H 1S 0.00004 -0.23430 0.00004 -0.17878 0.00026 145 2S 0.00006 -0.21172 0.00003 -0.19462 0.00023 146 15 H 1S 0.00030 -0.35120 0.00007 -0.08841 0.00016 147 2S 0.00029 -0.20479 0.00024 -0.27513 0.00018 148 16 C 1S 0.00600 0.01493 0.00148 0.03917 -0.01860 149 2S 0.05847 0.22990 -0.11557 0.42223 -0.42260 150 2PX 0.06978 -0.05438 0.14567 -0.06154 0.07857 151 2PY 0.04750 -0.11734 0.03581 0.01725 0.04561 152 2PZ -0.09481 -0.00274 -0.05340 -0.03148 0.13065 153 3S -1.27428 -1.47624 -0.94258 -1.68021 1.91420 154 3PX -0.04065 -0.32815 -0.20707 -0.15393 -0.26251 155 3PY -0.93583 -0.25335 -0.98899 -0.04132 0.61479 156 3PZ -0.17187 0.57042 -0.33759 0.41105 -0.05579 157 4XX -0.07584 -0.00967 0.14824 0.16711 0.04780 158 4YY 0.01499 -0.01853 -0.01619 -0.20641 -0.08102 159 4ZZ 0.06309 -0.01035 -0.12264 0.07374 0.08694 160 4XY -0.14029 0.00630 -0.10674 -0.03753 0.04811 161 4XZ -0.00945 -0.09908 -0.14949 0.00519 0.24574 162 4YZ -0.21896 0.09892 -0.08722 -0.11275 0.12410 163 17 H 1S -0.06134 0.10410 -0.12969 0.40049 0.03460 164 2S -0.24222 0.19214 -0.31836 0.22694 -0.02883 165 18 C 1S -0.02360 0.00624 -0.01768 0.00232 0.02547 166 2S -0.43173 0.04862 -0.20796 -0.09477 0.31103 167 2PX 0.03007 0.07182 0.02149 0.03145 -0.02460 168 2PY 0.03900 0.00202 0.03361 0.03023 -0.01832 169 2PZ 0.04319 0.09912 0.06271 -0.02533 -0.03489 170 3S 2.78001 -0.13382 1.96708 0.13918 -2.39762 171 3PX 0.36391 -0.05137 0.60414 0.05631 -0.33445 172 3PY 1.52463 -0.02431 1.18066 0.05305 -1.21600 173 3PZ -1.33732 0.06777 -1.56688 -0.21352 1.28289 174 4XX 0.04352 -0.15731 -0.06991 0.15013 0.09436 175 4YY 0.01761 -0.02598 0.02655 -0.05643 -0.01306 176 4ZZ -0.03552 0.19028 0.07458 -0.07935 -0.08515 177 4XY -0.00491 -0.30448 0.02109 -0.10679 -0.05570 178 4XZ 0.02629 0.08829 0.22142 0.03914 -0.18798 179 4YZ 0.01512 -0.17772 -0.05207 0.10503 -0.00661 180 19 H 1S 0.24206 -0.11476 0.30112 0.19865 -0.18822 181 2S 0.50125 -0.00974 0.60913 0.01801 -0.45494 182 20 C 1S -0.00601 0.01492 -0.00150 0.03921 0.01853 183 2S -0.05888 0.22998 0.11524 0.42327 0.42194 184 2PX -0.06969 -0.05456 -0.14562 -0.06186 -0.07855 185 2PY 0.04730 0.11743 0.03572 -0.01721 0.04553 186 2PZ 0.09486 -0.00262 0.05347 -0.03164 -0.13063 187 3S 1.27637 -1.47497 0.94368 -1.68299 -1.91095 188 3PX 0.04148 -0.32836 0.20776 -0.15350 0.26271 189 3PY -0.93630 0.25154 -0.98872 0.04151 0.61448 190 3PZ 0.17044 0.57074 0.33657 0.41109 0.05519 191 4XX 0.07584 -0.00953 -0.14838 0.16687 -0.04801 192 4YY -0.01494 -0.01847 0.01638 -0.20628 0.08120 193 4ZZ -0.06310 -0.01057 0.12254 0.07378 -0.08695 194 4XY -0.14023 -0.00647 -0.10693 0.03755 0.04799 195 4XZ 0.00979 -0.09906 0.14952 0.00505 -0.24584 196 4YZ -0.21885 -0.09933 -0.08728 0.11265 0.12390 197 21 H 1S 0.06122 0.10424 0.12930 0.40050 -0.03509 198 2S 0.24190 0.19266 0.31798 0.22722 0.02842 199 22 C 1S 0.02359 0.00626 0.01767 0.00230 -0.02548 200 2S 0.43172 0.04903 0.20802 -0.09511 -0.31104 201 2PX -0.03019 0.07180 -0.02155 0.03146 0.02452 202 2PY 0.03893 -0.00190 0.03364 -0.03018 -0.01827 203 2PZ -0.04343 0.09907 -0.06273 -0.02539 0.03493 204 3S -2.77943 -0.13698 -1.96673 0.14163 2.39750 205 3PX -0.36483 -0.05187 -0.60483 0.05639 0.33513 206 3PY 1.52462 0.02622 1.18023 -0.05360 -1.21560 207 3PZ 1.33781 0.06948 1.56720 -0.21406 -1.28300 208 4XX -0.04330 -0.15771 0.06966 0.15005 -0.09435 209 4YY -0.01750 -0.02575 -0.02641 -0.05631 0.01304 210 4ZZ 0.03517 0.19040 -0.07453 -0.07942 0.08512 211 4XY -0.00548 0.30433 0.02110 0.10684 -0.05603 212 4XZ -0.02662 0.08827 -0.22149 0.03908 0.18790 213 4YZ 0.01474 0.17776 -0.05214 -0.10507 -0.00649 214 23 H 1S -0.24204 -0.11514 -0.30135 0.19855 0.18812 215 2S -0.50154 -0.01044 -0.60919 0.01805 0.45498 146 147 148 149 150 V V V V V Eigenvalues -- 1.70180 1.77129 1.77533 1.79464 1.83238 1 1 C 1S -0.00895 -0.00160 0.00864 0.00024 -0.00602 2 2S 0.22583 -0.06148 0.15929 -0.01825 0.10249 3 2PX 0.09801 -0.02704 0.01563 0.00101 0.02860 4 2PY -0.15485 -0.00226 -0.11073 -0.00322 -0.01330 5 2PZ -0.08434 0.01660 -0.03109 -0.00454 -0.10206 6 3S 0.42510 0.16384 -2.00353 0.00990 0.00630 7 3PX -0.16508 -0.01095 -0.91274 -0.02552 0.11318 8 3PY -0.21158 -0.06247 -0.78166 -0.02005 -0.50791 9 3PZ 0.10196 -0.07510 0.99026 0.04026 0.02315 10 4XX -0.06447 -0.15951 0.02718 0.00364 0.17484 11 4YY 0.12063 0.00217 0.01118 0.04789 0.01943 12 4ZZ -0.06248 0.15837 -0.04698 -0.07193 -0.18237 13 4XY 0.14748 0.08565 0.01988 -0.01419 0.00556 14 4XZ 0.20798 -0.00780 -0.01730 -0.01331 0.00925 15 4YZ -0.20725 0.07000 0.01426 0.02152 -0.02533 16 2 C 1S -0.00581 -0.00424 -0.02335 0.00272 0.00611 17 2S 0.04487 -0.03481 -0.51341 -0.18969 0.17574 18 2PX -0.21218 0.00324 -0.07290 -0.06929 -0.02739 19 2PY 0.04482 -0.01714 -0.17643 -0.01054 0.00579 20 2PZ 0.19476 0.01023 0.00239 -0.01116 0.04971 21 3S -0.30091 0.06912 -0.27152 0.59246 -0.83786 22 3PX 0.87324 0.22487 0.16205 0.16737 0.24734 23 3PY 0.29865 0.12306 2.77654 0.07923 -0.06249 24 3PZ -0.75879 -0.12313 0.29288 -0.18797 -0.38353 25 4XX 0.08590 -0.11112 0.06000 -0.01558 -0.02382 26 4YY -0.02029 -0.01097 -0.06291 -0.02774 0.03638 27 4ZZ -0.05079 0.11436 0.06907 0.06458 -0.02213 28 4XY 0.18922 0.04191 -0.03100 -0.01046 0.04812 29 4XZ 0.06685 -0.04228 -0.02893 -0.06069 0.07839 30 4YZ -0.22395 0.01746 -0.07004 -0.06704 -0.07696 31 3 C 1S 0.00832 0.01556 -0.02828 0.00805 0.00150 32 2S -0.11188 0.18147 -0.55076 0.01719 -0.07703 33 2PX 0.14778 0.02466 0.08822 0.01921 0.06908 34 2PY 0.17935 0.01240 -0.07694 0.02662 -0.01558 35 2PZ -0.10972 -0.00566 -0.14024 0.02820 0.00284 36 3S -0.45312 -0.55531 0.64043 -0.37509 0.14049 37 3PX -0.05359 -0.01067 0.17381 0.08080 -0.25976 38 3PY -0.05430 0.10905 0.13825 0.10909 0.13101 39 3PZ 0.09579 -0.03946 0.21379 -0.07829 0.25334 40 4XX 0.10026 -0.09979 0.01412 -0.12425 0.16977 41 4YY -0.12313 -0.00095 -0.02949 0.07767 -0.02757 42 4ZZ 0.04180 0.11603 -0.01439 0.00690 -0.12975 43 4XY 0.01940 -0.06077 -0.04616 0.01302 -0.00873 44 4XZ -0.12869 -0.00684 0.01086 -0.02345 -0.03389 45 4YZ -0.14133 -0.08248 -0.00874 -0.15167 0.06635 46 4 C 1S 0.00832 0.01541 0.02836 0.00803 -0.00148 47 2S -0.11206 0.17878 0.55165 0.01671 0.07733 48 2PX 0.14795 0.02504 -0.08801 0.01929 -0.06903 49 2PY -0.17918 -0.01204 -0.07715 -0.02654 -0.01559 50 2PZ -0.10980 -0.00631 0.14021 0.02809 -0.00282 51 3S -0.45212 -0.55206 -0.64362 -0.37418 -0.14163 52 3PX -0.05433 -0.00946 -0.17384 0.08091 0.25956 53 3PY 0.05385 -0.10932 0.13761 -0.10909 0.13073 54 3PZ 0.09681 -0.03858 -0.21411 -0.07790 -0.25333 55 4XX 0.10032 -0.09978 -0.01453 -0.12422 -0.16972 56 4YY -0.12320 -0.00104 0.02946 0.07759 0.02756 57 4ZZ 0.04185 0.11594 0.01488 0.00694 0.12972 58 4XY -0.01920 0.06094 -0.04583 -0.01311 -0.00893 59 4XZ -0.12877 -0.00681 -0.01094 -0.02356 0.03385 60 4YZ 0.14121 0.08252 -0.00817 0.15166 0.06651 61 5 C 1S -0.00581 -0.00436 0.02333 0.00270 -0.00611 62 2S 0.04503 -0.03739 0.51309 -0.19000 -0.17579 63 2PX -0.21217 0.00289 0.07294 -0.06931 0.02737 64 2PY -0.04494 0.01798 -0.17630 0.01064 0.00585 65 2PZ 0.19475 0.01023 -0.00229 -0.01119 -0.04969 66 3S -0.30285 0.06840 0.27225 0.59177 0.83798 67 3PX 0.87340 0.22537 -0.16251 0.16735 -0.24691 68 3PY -0.29779 -0.13679 2.77544 -0.08089 -0.06264 69 3PZ -0.75890 -0.12124 -0.29375 -0.18766 0.38310 70 4XX 0.08605 -0.11077 -0.06047 -0.01558 0.02380 71 4YY -0.02051 -0.01134 0.06276 -0.02773 -0.03634 72 4ZZ -0.05072 0.11470 -0.06846 0.06463 0.02210 73 4XY -0.18913 -0.04177 -0.03137 0.01048 0.04819 74 4XZ 0.06671 -0.04241 0.02876 -0.06079 -0.07842 75 4YZ 0.22408 -0.01722 -0.07005 0.06706 -0.07703 76 6 C 1S -0.00897 -0.00155 -0.00865 0.00024 0.00602 77 2S 0.22567 -0.06061 -0.15954 -0.01827 -0.10259 78 2PX 0.09791 -0.02698 -0.01567 0.00100 -0.02863 79 2PY 0.15497 0.00276 -0.11069 0.00334 -0.01335 80 2PZ -0.08436 0.01648 0.03114 -0.00455 0.10206 81 3S 0.42642 0.15309 2.00438 0.00931 -0.00588 82 3PX -0.16480 -0.01587 0.91311 -0.02596 -0.11269 83 3PY 0.21114 0.06633 -0.78058 0.02004 -0.50781 84 3PZ 0.10154 -0.06982 -0.99056 0.04076 -0.02327 85 4XX -0.06427 -0.15928 -0.02803 0.00363 -0.17472 86 4YY 0.12046 0.00212 -0.01107 0.04791 -0.01945 87 4ZZ -0.06249 0.15814 0.04770 -0.07194 0.18231 88 4XY -0.14765 -0.08586 0.01940 0.01413 0.00549 89 4XZ 0.20784 -0.00789 0.01730 -0.01332 -0.00927 90 4YZ 0.20741 -0.07010 0.01395 -0.02153 -0.02539 91 7 H 1S -0.15879 -0.02104 -0.15733 0.01962 -0.04942 92 2S -0.06271 -0.00151 -0.34100 -0.03160 -0.07973 93 8 H 1S 0.05958 0.05988 -0.03871 0.11906 0.05764 94 2S 0.05532 0.07699 0.06546 -0.05226 0.10386 95 9 H 1S 0.05976 0.05960 0.03910 0.11902 -0.05737 96 2S 0.05569 0.07715 -0.06516 -0.05218 -0.10363 97 10 H 1S -0.15876 -0.02186 0.15719 0.01954 0.04943 98 2S -0.06258 -0.00330 0.34092 -0.03172 0.07973 99 11 O 1S -0.00763 -0.00234 -0.05478 0.00074 -0.00338 100 2S -0.14738 -0.06670 -1.00720 0.13744 -0.10566 101 2PX 0.12471 -0.00011 -0.02310 0.02352 0.01268 102 2PY -0.01684 -0.01935 -0.08106 0.07163 -0.04657 103 2PZ -0.13420 0.01677 -0.02445 -0.02270 -0.04151 104 3S 0.53910 0.18253 3.58299 -0.28677 0.30835 105 3PX -0.27278 -0.02206 0.18056 -0.06706 -0.04021 106 3PY 0.16741 0.06330 0.97788 -0.13600 0.12398 107 3PZ 0.30819 0.00390 0.09102 0.04706 0.11247 108 4XX -0.03918 -0.48741 -0.11554 -0.14964 0.47545 109 4YY -0.03415 -0.02239 -0.36448 0.01403 -0.01623 110 4ZZ -0.01521 0.47321 -0.12023 0.19940 -0.52360 111 4XY -0.12966 0.06424 -0.01969 0.07677 -0.14151 112 4XZ 0.02320 -0.06450 -0.25434 -0.02451 0.16984 113 4YZ 0.11755 -0.08914 0.11309 0.06648 0.09261 114 12 O 1S -0.00764 -0.00261 0.05477 0.00071 0.00338 115 2S -0.14769 -0.07161 1.00688 0.13664 0.10560 116 2PX 0.12468 -0.00027 0.02323 0.02354 -0.01267 117 2PY 0.01701 0.01973 -0.08099 -0.07150 -0.04656 118 2PZ -0.13423 0.01669 0.02452 -0.02273 0.04152 119 3S 0.53997 0.20007 -3.58192 -0.28410 -0.30829 120 3PX -0.27260 -0.02103 -0.18155 -0.06700 0.04011 121 3PY -0.16796 -0.06806 0.97741 0.13518 0.12397 122 3PZ 0.30826 0.00424 -0.09095 0.04712 -0.11243 123 4XX -0.03944 -0.48785 0.11299 -0.14973 -0.47512 124 4YY -0.03410 -0.02425 0.36435 0.01364 0.01602 125 4ZZ -0.01518 0.47258 0.12272 0.19942 0.52348 126 4XY 0.12964 -0.06459 -0.02021 -0.07693 -0.14192 127 4XZ 0.02329 -0.06585 0.25390 -0.02478 -0.17004 128 4YZ -0.11759 0.08861 0.11370 -0.06659 0.09248 129 13 C 1S -0.02270 -0.00264 -0.00002 -0.00757 0.00000 130 2S -0.25699 0.03779 -0.00020 -0.51673 0.00009 131 2PX 0.04750 0.03823 0.00013 0.11463 0.00002 132 2PY 0.00004 0.00002 0.01374 0.00001 -0.03393 133 2PZ 0.00725 0.05699 0.00009 -0.09236 0.00004 134 3S 0.49665 -0.42639 -0.00021 1.21645 -0.00047 135 3PX -0.23534 -0.05641 -0.00004 0.08068 0.00012 136 3PY -0.00006 0.00061 -0.20893 0.00006 -0.01057 137 3PZ -0.10446 -0.55463 -0.00077 1.00404 -0.00021 138 4XX -0.01633 -0.04398 -0.00004 0.16634 0.00001 139 4YY 0.03230 0.03054 0.00009 -0.00388 -0.00001 140 4ZZ -0.03314 0.02591 -0.00002 -0.14211 -0.00001 141 4XY 0.00004 -0.00008 0.01396 0.00005 -0.02872 142 4XZ 0.07368 0.20913 0.00048 -0.18635 0.00012 143 4YZ 0.00005 0.00067 -0.23119 0.00008 0.00024 144 14 H 1S -0.03639 0.02385 -0.00009 -0.26032 -0.00002 145 2S 0.04307 0.16953 0.00027 -0.24433 0.00007 146 15 H 1S -0.09615 -0.12348 -0.00019 0.26756 0.00000 147 2S -0.05880 -0.17709 -0.00031 0.18828 -0.00004 148 16 C 1S 0.00895 -0.00846 0.03160 0.00762 0.00499 149 2S 0.13054 -0.11476 0.27025 -0.08453 0.07931 150 2PX -0.04262 0.02983 -0.05321 0.02344 -0.00197 151 2PY -0.06139 -0.00977 0.02945 -0.05148 0.01847 152 2PZ -0.00752 0.00680 0.00776 -0.01135 -0.00531 153 3S -0.48980 0.57460 -0.66733 -0.65410 -0.37089 154 3PX 0.08191 -0.07616 0.18254 -0.21681 0.03481 155 3PY 0.32357 0.41480 -0.47512 -0.40557 -0.21192 156 3PZ 0.10490 0.19197 0.00104 -0.28434 -0.17709 157 4XX 0.02680 0.09126 -0.08725 -0.20774 0.01616 158 4YY -0.02672 -0.06140 0.05756 0.01813 0.02168 159 4ZZ -0.00376 -0.01211 0.03791 0.16585 -0.02301 160 4XY -0.01241 0.06480 0.14724 -0.17395 -0.03681 161 4XZ -0.00232 0.06213 -0.02217 -0.07720 0.03054 162 4YZ 0.02945 0.10354 -0.02539 -0.29193 -0.01873 163 17 H 1S 0.12947 0.05150 -0.04313 0.00001 -0.01578 164 2S 0.19689 0.13867 -0.09651 -0.09020 -0.07407 165 18 C 1S 0.00294 0.00374 0.00809 -0.00129 -0.00325 166 2S -0.00066 0.07123 0.21919 -0.17647 -0.08511 167 2PX 0.01559 -0.02831 0.01729 0.03651 0.01639 168 2PY 0.04809 0.05244 0.04837 -0.12516 0.00630 169 2PZ 0.00242 0.04436 -0.06876 -0.05499 -0.00596 170 3S 0.10775 -0.30941 -0.34967 0.25086 0.52603 171 3PX -0.06770 -0.02655 -0.07310 0.11537 0.02613 172 3PY -0.23428 -0.12427 -0.26481 0.29692 0.07615 173 3PZ 0.08199 0.23065 0.17696 -0.31351 -0.24905 174 4XX 0.06426 0.06920 -0.02459 -0.16976 0.04733 175 4YY -0.02532 -0.06643 0.03751 0.19902 0.00667 176 4ZZ -0.02144 0.01697 -0.00306 -0.08832 -0.02900 177 4XY -0.00009 0.04710 -0.01950 -0.14319 -0.00236 178 4XZ -0.03899 -0.06687 -0.05260 0.02846 -0.00271 179 4YZ 0.03234 -0.05920 0.03777 0.21899 -0.01027 180 19 H 1S -0.05450 -0.09999 -0.05095 0.26718 0.00765 181 2S -0.07777 -0.04597 -0.04277 0.09212 0.03485 182 20 C 1S 0.00895 -0.00829 -0.03163 0.00765 -0.00501 183 2S 0.13060 -0.11311 -0.27072 -0.08439 -0.07949 184 2PX -0.04263 0.02952 0.05333 0.02335 0.00197 185 2PY 0.06131 0.00963 0.02962 0.05152 0.01844 186 2PZ -0.00747 0.00681 -0.00773 -0.01133 0.00537 187 3S -0.48986 0.57011 0.66907 -0.65464 0.37185 188 3PX 0.08195 -0.07487 -0.18286 -0.21690 -0.03486 189 3PY -0.32332 -0.41198 -0.47690 0.40571 -0.21248 190 3PZ 0.10461 0.19167 -0.00051 -0.28422 0.17701 191 4XX 0.02682 0.09087 0.08732 -0.20801 -0.01597 192 4YY -0.02672 -0.06106 -0.05765 0.01827 -0.02183 193 4ZZ -0.00374 -0.01203 -0.03786 0.16598 0.02300 194 4XY 0.01237 -0.06542 0.14724 0.17365 -0.03678 195 4XZ -0.00217 0.06206 0.02245 -0.07741 -0.03041 196 4YZ -0.02953 -0.10341 -0.02563 0.29193 -0.01880 197 21 H 1S 0.12944 0.05124 0.04335 -0.00001 0.01590 198 2S 0.19678 0.13808 0.09722 -0.09019 0.07412 199 22 C 1S 0.00294 0.00377 -0.00807 -0.00129 0.00326 200 2S -0.00058 0.07215 -0.21898 -0.17625 0.08522 201 2PX 0.01561 -0.02820 -0.01739 0.03647 -0.01643 202 2PY -0.04807 -0.05268 0.04817 0.12511 0.00621 203 2PZ 0.00237 0.04400 0.06891 -0.05504 0.00598 204 3S 0.10747 -0.30979 0.34857 0.25047 -0.52639 205 3PX -0.06785 -0.02682 0.07319 0.11547 -0.02615 206 3PY 0.23459 0.12512 -0.26420 -0.29655 0.07627 207 3PZ 0.08225 0.23097 -0.17611 -0.31350 0.24934 208 4XX 0.06433 0.06915 0.02484 -0.16995 -0.04711 209 4YY -0.02531 -0.06632 -0.03769 0.19929 -0.00675 210 4ZZ -0.02150 0.01698 0.00306 -0.08839 0.02889 211 4XY 0.00018 -0.04690 -0.01962 0.14293 -0.00243 212 4XZ -0.03909 -0.06718 0.05226 0.02863 0.00265 213 4YZ -0.03236 0.05898 0.03787 -0.21897 -0.01025 214 23 H 1S -0.05458 -0.10024 0.05065 0.26720 -0.00767 215 2S -0.07790 -0.04604 0.04256 0.09210 -0.03492 151 152 153 154 155 V V V V V Eigenvalues -- 1.84511 1.84722 1.85951 1.89007 1.90259 1 1 C 1S 0.00192 0.00448 0.01768 -0.00212 0.00395 2 2S 0.14039 -0.16936 -0.13110 0.00014 0.06754 3 2PX 0.04337 -0.04971 -0.15136 -0.07943 0.05728 4 2PY -0.00457 0.00083 0.06675 0.09796 0.00670 5 2PZ -0.00488 0.05497 0.13100 0.07340 -0.01884 6 3S -0.48212 0.03391 -0.46375 0.51407 -0.22171 7 3PX -0.24488 0.09487 -0.27442 -0.35189 0.02217 8 3PY 0.12790 0.06266 0.78909 -0.99075 0.04216 9 3PZ 0.10248 -0.08009 0.48660 0.34341 0.09008 10 4XX -0.21376 0.00664 0.03598 0.03276 0.16116 11 4YY -0.00303 -0.04449 -0.03687 0.01959 0.00468 12 4ZZ 0.21658 0.05258 -0.03485 -0.03268 -0.16776 13 4XY 0.13000 -0.01265 -0.09421 0.16965 -0.13008 14 4XZ 0.10697 -0.04525 -0.21500 -0.11962 0.04577 15 4YZ -0.04160 -0.01530 0.02092 -0.12355 0.00597 16 2 C 1S 0.00413 0.01539 -0.01201 -0.00940 0.01566 17 2S 0.25069 0.33627 -0.24087 -0.03884 0.08300 18 2PX 0.07066 0.06853 0.07422 -0.01011 -0.02465 19 2PY 0.07686 0.05093 -0.04533 0.01727 0.00971 20 2PZ 0.01116 -0.05197 -0.08815 0.05957 -0.02688 21 3S -0.99848 -1.79990 1.35174 -0.74683 -0.80546 22 3PX -0.51744 -0.82668 -1.05492 0.83007 -0.59899 23 3PY 0.23427 -0.07508 -0.28419 2.44964 0.16402 24 3PZ 0.79872 0.78593 0.94249 -0.42373 0.13054 25 4XX -0.00689 -0.03139 -0.11703 0.11199 0.00657 26 4YY -0.01170 -0.00262 0.03395 -0.14067 -0.01762 27 4ZZ 0.02895 0.02629 0.08166 0.08165 0.03713 28 4XY 0.03211 -0.17190 -0.18810 -0.09138 -0.13219 29 4XZ 0.21235 0.15729 -0.16309 0.08471 0.07354 30 4YZ 0.07400 0.13045 0.22960 -0.02016 -0.09235 31 3 C 1S -0.04257 -0.01967 -0.01176 0.03116 -0.01821 32 2S -0.45226 -0.08297 0.17225 0.44506 -0.28979 33 2PX -0.07593 -0.12730 -0.06229 -0.02009 -0.09280 34 2PY 0.00149 -0.04809 -0.07262 0.00371 0.06771 35 2PZ -0.03172 0.07371 0.09508 0.08669 0.01133 36 3S 1.84562 1.16888 0.74037 -1.57365 1.12003 37 3PX 0.05077 -0.52771 -0.11540 0.39840 0.14645 38 3PY -0.74097 -0.54899 0.31431 0.01253 -0.49655 39 3PZ 0.01199 0.51561 0.18270 -0.66099 0.35171 40 4XX 0.08607 -0.00400 -0.01553 -0.15144 -0.00531 41 4YY -0.02128 0.02528 0.03415 0.16084 -0.13213 42 4ZZ -0.04406 0.02745 -0.03349 -0.04010 0.20506 43 4XY -0.03359 -0.02444 0.03087 0.09380 -0.02823 44 4XZ 0.00099 0.19852 0.10750 0.24316 0.18240 45 4YZ 0.25790 0.04594 0.05304 -0.02966 -0.23078 46 4 C 1S -0.04239 0.02005 0.01179 0.03117 -0.01824 47 2S -0.45165 0.08695 -0.17199 0.44530 -0.28970 48 2PX -0.07473 0.12805 0.06236 -0.02006 -0.09276 49 2PY -0.00203 -0.04795 -0.07254 -0.00373 -0.06774 50 2PZ -0.03251 -0.07345 -0.09505 0.08673 0.01139 51 3S 1.83483 -1.18520 -0.74150 -1.57503 1.11960 52 3PX 0.05464 0.52738 0.11523 0.39901 0.14682 53 3PY 0.73609 -0.55555 0.31397 -0.01216 0.49701 54 3PZ 0.00742 -0.51546 -0.18265 -0.66178 0.35078 55 4XX 0.08596 0.00336 0.01539 -0.15137 -0.00548 56 4YY -0.02141 -0.02515 -0.03407 0.16073 -0.13215 57 4ZZ -0.04426 -0.02712 0.03356 -0.04011 0.20516 58 4XY 0.03348 -0.02468 0.03083 -0.09407 0.02835 59 4XZ -0.00073 -0.19871 -0.10745 0.24309 0.18217 60 4YZ -0.25742 0.04812 0.05316 0.02989 0.23089 61 5 C 1S 0.00400 -0.01542 0.01202 -0.00941 0.01564 62 2S 0.24754 -0.33854 0.24071 -0.03906 0.08276 63 2PX 0.07003 -0.06918 -0.07422 -0.01010 -0.02462 64 2PY -0.07630 0.05160 -0.04533 -0.01727 -0.00967 65 2PZ 0.01166 0.05184 0.08812 0.05957 -0.02691 66 3S -0.98266 1.80953 -1.35141 -0.74564 -0.80398 67 3PX -0.50936 0.83127 1.05544 0.83227 -0.59902 68 3PY -0.23542 -0.07093 -0.28356 -2.44985 -0.16579 69 3PZ 0.79138 -0.79291 -0.94288 -0.42390 0.13094 70 4XX -0.00646 0.03167 0.11727 0.11192 0.00638 71 4YY -0.01176 0.00255 -0.03422 -0.14061 -0.01739 72 4ZZ 0.02868 -0.02662 -0.08163 0.08169 0.03712 73 4XY -0.03375 -0.17169 -0.18793 0.09158 0.13224 74 4XZ 0.21099 -0.15939 0.16282 0.08465 0.07348 75 4YZ -0.07258 0.13091 0.22975 0.02028 0.09234 76 6 C 1S 0.00188 -0.00450 -0.01768 -0.00211 0.00396 77 2S 0.14187 0.16803 0.13100 0.00021 0.06771 78 2PX 0.04386 0.04934 0.15128 -0.07938 0.05728 79 2PY 0.00465 0.00086 0.06682 -0.09803 -0.00665 80 2PZ -0.00540 -0.05496 -0.13098 0.07339 -0.01882 81 3S -0.48177 -0.02969 0.46406 0.51333 -0.22378 82 3PX -0.24546 -0.09248 0.27400 -0.35282 0.02137 83 3PY -0.12765 0.06324 0.78950 0.99080 -0.04152 84 3PZ 0.10284 0.07887 -0.48662 0.34366 0.09095 85 4XX -0.21378 -0.00479 -0.03573 0.03299 0.16098 86 4YY -0.00277 0.04448 0.03673 0.01939 0.00482 87 4ZZ 0.21623 -0.05442 0.03475 -0.03272 -0.16774 88 4XY -0.13033 -0.01143 -0.09418 -0.16960 0.13021 89 4XZ 0.10746 0.04436 0.21490 -0.11968 0.04569 90 4YZ 0.04152 -0.01576 0.02101 0.12347 -0.00592 91 7 H 1S -0.04525 -0.03567 -0.03569 -0.43005 0.09636 92 2S -0.02919 0.01127 0.00239 -0.27691 -0.02006 93 8 H 1S -0.39388 0.01033 0.07286 0.12932 0.02483 94 2S -0.28396 -0.00098 0.12309 -0.12189 -0.12765 95 9 H 1S -0.39398 -0.00674 -0.07256 0.12925 0.02452 96 2S -0.28387 0.00368 -0.12293 -0.12202 -0.12796 97 10 H 1S -0.04485 0.03633 0.03571 -0.43004 0.09621 98 2S -0.02918 -0.01083 -0.00241 -0.27699 -0.02037 99 11 O 1S -0.00992 -0.00908 0.01221 -0.04690 -0.00457 100 2S -0.12634 -0.18819 0.20581 -0.76898 -0.08558 101 2PX 0.03006 -0.09227 -0.11484 -0.01997 -0.06635 102 2PY -0.01141 -0.01866 0.01424 0.03233 0.03923 103 2PZ 0.03849 0.07910 0.11889 0.01441 -0.04488 104 3S 0.60573 0.67939 -0.86127 3.11656 0.40112 105 3PX 0.05371 0.26838 0.26878 0.08860 0.19617 106 3PY 0.18342 0.23701 -0.27281 0.80581 0.09036 107 3PZ -0.13596 -0.19857 -0.32369 0.13381 0.07121 108 4XX -0.17599 -0.00788 0.26937 -0.07816 -0.00799 109 4YY 0.02618 -0.04970 0.03204 -0.25578 -0.08322 110 4ZZ 0.05878 -0.04435 -0.18182 -0.08686 0.06493 111 4XY -0.07346 0.08064 0.17872 -0.06388 0.15660 112 4XZ 0.17279 0.27306 -0.30849 0.14702 0.10974 113 4YZ -0.15172 -0.15117 -0.09119 -0.01946 0.08138 114 12 O 1S -0.00984 0.00919 -0.01221 -0.04690 -0.00458 115 2S -0.12471 0.18977 -0.20583 -0.76904 -0.08576 116 2PX 0.03096 0.09205 0.11481 -0.01992 -0.06635 117 2PY 0.01125 -0.01868 0.01430 -0.03239 -0.03924 118 2PZ 0.03773 -0.07941 -0.11890 0.01439 -0.04485 119 3S 0.59993 -0.68667 0.86132 3.11694 0.40188 120 3PX 0.05127 -0.26917 -0.26858 0.08913 0.19634 121 3PY -0.18135 0.23893 -0.27300 -0.80577 -0.09035 122 3PZ -0.13405 0.19966 0.32376 0.13390 0.07113 123 4XX -0.17642 0.00937 -0.26962 -0.07819 -0.00790 124 4YY 0.02671 0.04972 -0.03187 -0.25574 -0.08348 125 4ZZ 0.05957 0.04393 0.18190 -0.08691 0.06499 126 4XY 0.07405 0.07997 0.17846 0.06404 -0.15659 127 4XZ 0.17018 -0.27461 0.30850 0.14688 0.10981 128 4YZ 0.15045 -0.15267 -0.09103 0.01952 -0.08125 129 13 C 1S -0.00324 0.00001 0.00000 0.02007 0.01143 130 2S -0.16215 0.00085 0.00005 -0.14851 0.08629 131 2PX -0.07319 0.00023 0.00005 0.09924 -0.04937 132 2PY 0.00089 0.22825 -0.10796 0.00014 0.00016 133 2PZ -0.09257 0.00046 0.00001 -0.07985 0.00548 134 3S 1.12225 -0.00528 -0.00030 -0.48042 0.21150 135 3PX -0.23983 0.00128 0.00009 0.12458 -0.39659 136 3PY -0.00151 -0.28649 -0.00387 0.00001 -0.00009 137 3PZ 0.49240 -0.00220 -0.00011 -0.09076 -0.29033 138 4XX -0.04718 0.00018 0.00001 -0.08313 -0.22836 139 4YY -0.00980 0.00013 -0.00002 0.10735 0.14340 140 4ZZ 0.04681 -0.00028 0.00001 -0.00738 0.08652 141 4XY 0.00078 0.18834 -0.06738 0.00000 -0.00004 142 4XZ -0.29668 0.00146 0.00008 0.04393 -0.08336 143 4YZ -0.00162 -0.34037 0.03895 -0.00013 -0.00018 144 14 H 1S 0.09043 -0.00046 -0.00001 0.06529 0.28677 145 2S -0.19881 0.00089 0.00005 0.01890 0.05327 146 15 H 1S -0.02756 0.00017 0.00000 0.05558 -0.16247 147 2S 0.11931 -0.00049 -0.00002 -0.08154 -0.06347 148 16 C 1S 0.02197 0.01657 0.00262 -0.02335 0.01706 149 2S 0.27427 -0.20804 0.06643 -0.21809 0.20426 150 2PX -0.04050 -0.02547 0.03479 0.01670 -0.03422 151 2PY -0.01745 -0.08629 0.06809 0.03829 -0.03748 152 2PZ -0.07446 0.08301 -0.04064 0.13318 -0.09690 153 3S -1.23622 0.06737 -0.34547 0.85166 -0.89183 154 3PX 0.26462 -0.00484 -0.07045 -0.20506 0.37211 155 3PY -0.57501 0.13900 -0.64179 0.28330 -0.25259 156 3PZ 0.07573 -0.04476 -0.10773 -0.06530 0.15794 157 4XX -0.14541 -0.02441 0.02226 0.05238 -0.16501 158 4YY 0.12524 0.07996 -0.03035 0.00886 0.12149 159 4ZZ -0.02221 -0.01673 0.01247 -0.02061 0.00258 160 4XY 0.03389 0.16319 -0.01218 0.09103 0.13739 161 4XZ -0.14522 -0.07171 0.01594 0.02344 -0.18265 162 4YZ -0.01681 -0.23820 0.05810 -0.13354 0.15982 163 17 H 1S -0.08238 0.07741 -0.10022 0.01401 -0.07114 164 2S -0.07455 -0.00122 -0.20944 0.05366 0.00467 165 18 C 1S -0.00969 -0.00706 -0.00299 0.00684 -0.02175 166 2S -0.13467 0.14710 -0.05487 -0.07729 -0.22767 167 2PX 0.05492 0.04439 -0.03611 0.01576 -0.02860 168 2PY -0.06306 0.11677 -0.03455 -0.05202 -0.02299 169 2PZ -0.02953 -0.09617 0.00994 0.04325 0.09571 170 3S 0.45490 -0.19638 0.77552 -0.25612 0.60870 171 3PX -0.05304 -0.03976 0.22613 -0.05135 -0.00907 172 3PY 0.14312 -0.08792 0.50509 0.07138 -0.06222 173 3PZ -0.32711 0.11148 -0.36155 0.21404 -0.30642 174 4XX -0.16603 0.00637 -0.02662 0.04040 -0.25816 175 4YY 0.04000 0.09440 -0.02306 0.15507 0.01342 176 4ZZ 0.10709 -0.07332 0.04162 -0.17614 0.18337 177 4XY -0.04671 0.02577 -0.00922 0.02343 0.06816 178 4XZ 0.09569 0.07456 -0.01934 0.04225 -0.13378 179 4YZ 0.04701 0.07096 -0.02672 -0.13510 -0.04658 180 19 H 1S 0.04295 0.09068 0.04896 -0.05803 -0.19402 181 2S 0.06648 -0.06660 0.15714 -0.00478 0.06725 182 20 C 1S 0.02179 -0.01677 -0.00264 -0.02336 0.01707 183 2S 0.27565 0.20560 -0.06661 -0.21794 0.20482 184 2PX -0.04032 0.02589 -0.03480 0.01679 -0.03418 185 2PY 0.01678 -0.08642 0.06803 -0.03841 0.03730 186 2PZ -0.07511 -0.08239 0.04071 0.13307 -0.09705 187 3S -1.23474 -0.05610 0.34629 0.85146 -0.89337 188 3PX 0.26428 0.00242 0.07056 -0.20503 0.37206 189 3PY 0.57492 0.13385 -0.64204 -0.28298 0.25417 190 3PZ 0.07673 0.04396 0.10754 -0.06523 0.15800 191 4XX -0.14520 0.02558 -0.02219 0.05252 -0.16485 192 4YY 0.12442 -0.08087 0.03025 0.00865 0.12143 193 4ZZ -0.02197 0.01683 -0.01242 -0.02055 0.00245 194 4XY -0.03268 0.16367 -0.01227 -0.09088 -0.13735 195 4XZ -0.14465 0.07325 -0.01590 0.02336 -0.18251 196 4YZ 0.01467 -0.23830 0.05806 0.13336 -0.16012 197 21 H 1S -0.08288 -0.07669 0.10024 0.01391 -0.07137 198 2S -0.07419 0.00183 0.20943 0.05358 0.00433 199 22 C 1S -0.00961 0.00715 0.00299 0.00684 -0.02176 200 2S -0.13564 -0.14578 0.05495 -0.07750 -0.22796 201 2PX 0.05448 -0.04496 0.03608 0.01568 -0.02862 202 2PY 0.06410 0.11613 -0.03456 0.05212 0.02309 203 2PZ -0.02864 0.09638 -0.00990 0.04335 0.09577 204 3S 0.45388 0.19224 -0.77581 -0.25538 0.61065 205 3PX -0.05299 0.04033 -0.22635 -0.05108 -0.00894 206 3PY -0.14287 -0.08661 0.50495 -0.07203 0.06131 207 3PZ -0.32690 -0.10860 0.36186 0.21370 -0.30726 208 4XX -0.16618 -0.00480 0.02670 0.04040 -0.25813 209 4YY 0.03924 -0.09483 0.02305 0.15493 0.01325 210 4ZZ 0.10772 0.07237 -0.04168 -0.17600 0.18351 211 4XY 0.04676 0.02543 -0.00925 -0.02355 -0.06833 212 4XZ 0.09508 -0.07541 0.01923 0.04211 -0.13378 213 4YZ -0.04639 0.07118 -0.02659 0.13525 0.04660 214 23 H 1S 0.04208 -0.09091 -0.04905 -0.05805 -0.19406 215 2S 0.06673 0.06599 -0.15716 -0.00459 0.06757 156 157 158 159 160 V V V V V Eigenvalues -- 1.91045 1.91981 1.92517 1.94249 1.98305 1 1 C 1S 0.01947 0.01389 0.01246 0.00019 0.01477 2 2S -0.02945 0.21591 0.11416 0.01751 0.17312 3 2PX 0.02149 -0.03257 0.00846 -0.05268 -0.02997 4 2PY 0.00968 0.02926 -0.00995 0.05944 0.11434 5 2PZ -0.05147 0.01862 0.03225 0.03040 0.03324 6 3S -0.50664 -0.66820 -2.06444 0.31906 -2.25483 7 3PX -0.12330 -0.14144 -0.72100 -0.07713 -0.43237 8 3PY 0.06998 0.13414 -0.98573 -0.43812 -1.15795 9 3PZ 0.05110 0.13935 0.72825 0.14803 0.26739 10 4XX -0.12346 0.05312 -0.01222 0.10001 -0.12437 11 4YY 0.10331 -0.11440 -0.02109 -0.06216 0.03411 12 4ZZ 0.02078 0.09770 0.01624 -0.00142 0.07687 13 4XY -0.17124 0.09929 0.02262 0.11035 -0.12758 14 4XZ 0.37760 0.12668 -0.08771 -0.06342 0.23222 15 4YZ 0.28179 -0.05360 0.01647 -0.12393 0.02936 16 2 C 1S 0.01158 -0.01559 0.00008 -0.00650 0.00394 17 2S -0.19559 -0.13432 0.03759 0.15552 -0.09866 18 2PX 0.05196 0.02103 0.04288 0.03690 0.08158 19 2PY 0.00882 0.02690 -0.05534 0.05357 0.10953 20 2PZ -0.02643 0.02024 -0.00317 0.04274 0.02336 21 3S -0.18473 0.94776 -0.63013 -0.42980 0.44796 22 3PX 0.26586 0.11116 -0.40185 0.24733 0.42700 23 3PY 1.28117 0.46842 1.78225 0.77655 2.31114 24 3PZ 0.30618 0.08965 0.61977 -0.31685 0.07585 25 4XX 0.18804 0.04896 0.00600 -0.00297 0.19057 26 4YY -0.29597 -0.04796 0.00684 -0.03335 -0.41388 27 4ZZ 0.20363 0.08234 -0.00145 0.03384 0.30048 28 4XY 0.01357 -0.01296 -0.11327 -0.05721 -0.09217 29 4XZ -0.07507 0.09898 0.08700 0.02636 0.07532 30 4YZ -0.02128 0.01132 0.07652 -0.00724 -0.07808 31 3 C 1S 0.02669 0.01774 -0.04827 0.00872 0.03807 32 2S 0.09036 0.40643 -0.25269 0.20599 0.60629 33 2PX 0.08442 -0.02416 -0.03070 -0.00003 0.03324 34 2PY 0.03460 0.04681 -0.01893 -0.07191 0.06206 35 2PZ -0.02884 0.04429 0.10082 0.05644 0.08249 36 3S -0.57505 -0.89259 1.05386 -0.67176 -3.61682 37 3PX -0.00681 0.22053 0.44198 0.17123 0.61102 38 3PY -0.11324 0.12347 -0.50075 0.18750 -1.35896 39 3PZ -0.29937 -0.29540 -0.48976 -0.24714 -1.08708 40 4XX 0.08184 0.14799 -0.03211 -0.09439 -0.02012 41 4YY 0.10477 -0.14821 0.03090 0.13815 0.02527 42 4ZZ -0.16929 0.02360 -0.02763 -0.10803 -0.05536 43 4XY 0.06796 -0.06154 -0.09196 -0.02388 0.16557 44 4XZ 0.04518 0.16971 0.04666 0.09691 0.21920 45 4YZ 0.00763 0.06774 -0.05309 0.01478 -0.02353 46 4 C 1S 0.02673 0.01804 0.04816 0.00877 -0.03819 47 2S 0.09065 0.40815 0.25015 0.20632 -0.60697 48 2PX 0.08449 -0.02393 0.03072 -0.00004 -0.03300 49 2PY -0.03454 -0.04695 -0.01881 0.07189 0.06252 50 2PZ -0.02888 0.04367 -0.10106 0.05635 -0.08309 51 3S -0.57645 -0.90063 -1.04815 -0.67335 3.62179 52 3PX -0.00720 0.21829 -0.44287 0.17114 -0.60961 53 3PY 0.11314 -0.12577 -0.50017 -0.18779 -1.35676 54 3PZ -0.29922 -0.29297 0.49202 -0.24687 1.08619 55 4XX 0.08192 0.14810 0.03159 -0.09439 0.01694 56 4YY 0.10468 -0.14832 -0.03047 0.13813 -0.02410 57 4ZZ -0.16925 0.02375 0.02772 -0.10800 0.05707 58 4XY -0.06810 0.06118 -0.09228 0.02362 0.16671 59 4XZ 0.04523 0.16945 -0.04754 0.09688 -0.21981 60 4YZ -0.00763 -0.06798 -0.05228 -0.01473 -0.02581 61 5 C 1S 0.01158 -0.01560 0.00002 -0.00650 -0.00401 62 2S -0.19562 -0.13475 -0.03683 0.15543 0.09965 63 2PX 0.05194 0.02079 -0.04310 0.03688 -0.08112 64 2PY -0.00883 -0.02717 -0.05507 -0.05361 0.10854 65 2PZ -0.02644 0.02030 0.00309 0.04275 -0.02409 66 3S -0.18453 0.95219 0.62423 -0.42881 -0.44822 67 3PX 0.26714 0.11425 0.39982 0.24849 -0.43362 68 3PY -1.28033 -0.45889 1.78612 -0.77493 2.30712 69 3PZ 0.30581 0.08591 -0.62077 -0.31753 -0.07261 70 4XX 0.18808 0.04897 -0.00627 -0.00301 -0.18991 71 4YY -0.29605 -0.04804 -0.00649 -0.03330 0.41343 72 4ZZ 0.20368 0.08237 0.00080 0.03384 -0.30046 73 4XY -0.01320 0.01235 -0.11334 0.05713 -0.09209 74 4XZ -0.07514 0.09846 -0.08768 0.02629 -0.07463 75 4YZ 0.02129 -0.01078 0.07655 0.00736 -0.07764 76 6 C 1S 0.01947 0.01382 -0.01256 0.00018 -0.01468 77 2S -0.02955 0.21534 -0.11557 0.01749 -0.17136 78 2PX 0.02147 -0.03260 -0.00824 -0.05262 0.03038 79 2PY -0.00969 -0.02936 -0.00976 -0.05948 0.11449 80 2PZ -0.05148 0.01842 -0.03233 0.03035 -0.03350 81 3S -0.50557 -0.65715 2.06909 0.32058 2.24799 82 3PX -0.12278 -0.13746 0.72275 -0.07691 0.43199 83 3PY -0.07046 -0.13943 -0.98425 0.43738 -1.15998 84 3PZ 0.05058 0.13534 -0.72930 0.14747 -0.26524 85 4XX -0.12365 0.05324 0.01195 0.10017 0.12555 86 4YY 0.10355 -0.11439 0.02179 -0.06228 -0.03401 87 4ZZ 0.02074 0.09765 -0.01690 -0.00144 -0.07845 88 4XY 0.17107 -0.09903 0.02326 -0.11020 -0.12690 89 4XZ 0.37788 0.12719 0.08662 -0.06340 -0.23046 90 4YZ -0.28153 0.05378 0.01628 0.12390 0.02946 91 7 H 1S 0.41759 0.01006 -0.17369 -0.24181 0.14078 92 2S -0.04643 0.07409 -0.33099 -0.09745 -0.17714 93 8 H 1S 0.07415 0.04298 -0.25759 0.06901 0.09598 94 2S -0.00309 0.01894 -0.37757 -0.00501 -0.27727 95 9 H 1S 0.07437 0.04450 0.25759 0.06925 -0.09928 96 2S -0.00286 0.02111 0.37742 -0.00467 0.27702 97 10 H 1S 0.41773 0.01105 0.17345 -0.24166 -0.13938 98 2S -0.04622 0.07589 0.33058 -0.09720 0.17698 99 11 O 1S -0.02625 0.00111 -0.03105 -0.01604 -0.03128 100 2S -0.32449 -0.09809 -0.55358 -0.28369 -0.28048 101 2PX 0.06246 0.00274 -0.05433 -0.01555 0.04441 102 2PY 0.15581 0.00750 -0.04901 -0.00492 0.26814 103 2PZ 0.03737 0.02324 0.04678 -0.00213 0.03519 104 3S 1.58613 0.24497 2.17067 1.10107 1.97418 105 3PX -0.02571 -0.00113 0.24896 0.05581 0.02465 106 3PY 0.37879 0.05402 0.57229 0.30274 0.37687 107 3PZ -0.02608 -0.03562 -0.09810 0.07687 0.02935 108 4XX 0.03682 0.05782 -0.14919 -0.01942 0.07079 109 4YY -0.12643 -0.05303 -0.16726 -0.08572 -0.10863 110 4ZZ -0.04957 -0.00347 0.00149 -0.04583 -0.05922 111 4XY -0.10259 0.02533 0.02548 -0.04502 -0.06449 112 4XZ 0.03429 -0.57389 0.25896 -0.02448 0.01647 113 4YZ -0.08929 0.00117 -0.10577 0.03994 -0.07253 114 12 O 1S -0.02624 0.00128 0.03106 -0.01601 0.03122 115 2S -0.32426 -0.09497 0.55435 -0.28320 0.27965 116 2PX 0.06259 0.00308 0.05429 -0.01550 -0.04482 117 2PY -0.15583 -0.00781 -0.04882 0.00485 0.26773 118 2PZ 0.03735 0.02295 -0.04696 -0.00218 -0.03557 119 3S 1.58534 0.23290 -2.17306 1.09913 -1.97016 120 3PX -0.02554 -0.00260 -0.24935 0.05578 -0.02364 121 3PY -0.37858 -0.05079 0.57265 -0.30216 0.37605 122 3PZ -0.02599 -0.03499 0.09839 0.07700 -0.02897 123 4XX 0.03687 0.05879 0.14877 -0.01932 -0.07090 124 4YY -0.12625 -0.05213 0.16765 -0.08552 0.10792 125 4ZZ -0.04965 -0.00356 -0.00137 -0.04584 0.05968 126 4XY 0.10273 -0.02505 0.02544 0.04512 -0.06548 127 4XZ 0.03410 -0.57542 -0.25533 -0.02470 -0.01724 128 4YZ 0.08924 -0.00220 -0.10595 -0.04006 -0.07376 129 13 C 1S 0.01102 0.01705 -0.00006 -0.01872 -0.00004 130 2S 0.14390 0.04678 -0.00037 0.21418 -0.00091 131 2PX 0.01582 0.01946 0.00006 -0.07119 0.00006 132 2PY -0.00014 -0.00124 -0.41029 -0.00023 0.03742 133 2PZ -0.00287 -0.02634 0.00001 0.06607 -0.00008 134 3S -0.87697 -0.46279 0.00241 0.01084 0.00340 135 3PX 0.16888 0.04813 -0.00030 0.23252 -0.00015 136 3PY -0.00004 -0.00106 -0.34393 -0.00010 0.08823 137 3PZ -0.48608 -0.05626 0.00071 -0.20050 0.00009 138 4XX -0.06081 -0.09218 0.00024 0.11225 0.00044 139 4YY -0.00095 0.13168 -0.00034 -0.31803 -0.00088 140 4ZZ 0.05355 -0.05494 0.00013 0.20876 0.00070 141 4XY -0.00013 -0.00087 -0.26287 -0.00001 -0.10481 142 4XZ 0.11943 -0.08335 0.00009 0.11740 0.00046 143 4YZ 0.00008 0.00035 0.12528 0.00000 0.20742 144 14 H 1S 0.08147 0.13654 -0.00033 -0.16441 -0.00071 145 2S 0.05095 -0.01174 -0.00002 -0.00316 -0.00009 146 15 H 1S -0.04825 0.10883 -0.00030 -0.18061 -0.00074 147 2S -0.08996 -0.04234 0.00029 -0.03995 -0.00046 148 16 C 1S -0.01801 -0.00871 0.04264 -0.00641 -0.03348 149 2S -0.27831 -0.12502 0.92474 -0.30517 -0.18816 150 2PX 0.04101 -0.02564 0.05657 0.14816 0.04527 151 2PY -0.00448 -0.02578 0.22170 -0.02622 0.09140 152 2PZ -0.05730 0.00999 -0.18077 -0.25752 -0.07638 153 3S 0.99073 0.35009 -3.12795 0.40642 0.77040 154 3PX -0.09983 -0.00015 0.18872 -0.22792 -0.26657 155 3PY 0.42517 0.06556 -2.21804 -0.08516 0.32534 156 3PZ 0.18886 -0.04700 -0.36179 0.20369 0.32135 157 4XX -0.00679 -0.05264 0.00349 -0.09007 0.04231 158 4YY -0.07531 0.01662 0.09489 -0.09382 -0.22793 159 4ZZ 0.07767 0.03148 -0.11177 0.14508 0.14408 160 4XY 0.04551 0.02041 -0.21390 -0.10095 0.02700 161 4XZ 0.03452 -0.07779 0.06898 0.02859 -0.09569 162 4YZ 0.01786 -0.07293 0.11982 0.22022 0.07015 163 17 H 1S 0.03678 -0.02971 -0.31912 -0.09120 0.12021 164 2S 0.08899 -0.00078 -0.46672 -0.04981 0.06166 165 18 C 1S 0.00256 -0.00122 -0.01799 -0.00277 0.00170 166 2S 0.00337 -0.08416 -0.46885 -0.11815 -0.14213 167 2PX -0.04165 -0.00021 0.03370 0.02599 -0.01039 168 2PY -0.00517 -0.03554 -0.08186 0.11809 0.05296 169 2PZ 0.05863 0.04860 0.00035 0.03483 0.14659 170 3S -0.50428 -0.07893 3.62467 -0.05473 -0.31747 171 3PX 0.04667 0.02943 0.28824 0.03384 0.02459 172 3PY 0.09827 0.14888 1.34482 -0.01515 0.11678 173 3PZ 0.09877 -0.08075 -1.55945 -0.22996 0.04494 174 4XX -0.06913 0.00523 0.05714 -0.03858 -0.03189 175 4YY 0.03022 0.00808 -0.04191 -0.21262 -0.01019 176 4ZZ 0.01201 -0.01078 0.06010 0.26745 0.01124 177 4XY -0.00446 -0.03683 -0.03169 -0.06738 0.05306 178 4XZ -0.02813 -0.02661 0.01102 0.02319 -0.02523 179 4YZ 0.06529 -0.01644 -0.11250 0.34301 0.11102 180 19 H 1S 0.03563 0.02413 0.00198 0.21924 0.04062 181 2S 0.09191 0.09488 0.45670 0.00927 0.06504 182 20 C 1S -0.01805 -0.00898 -0.04254 -0.00646 0.03349 183 2S -0.27907 -0.13067 -0.92324 -0.30614 0.18959 184 2PX 0.04098 -0.02601 -0.05675 0.14807 -0.04502 185 2PY 0.00465 0.02708 0.22147 0.02659 0.09067 186 2PZ -0.05716 0.01109 0.18106 -0.25734 0.07664 187 3S 0.99321 0.36928 3.12356 0.40989 -0.77347 188 3PX -0.09979 -0.00127 -0.18732 -0.22811 0.26601 189 3PY -0.42672 -0.07902 -2.21714 0.08268 0.32714 190 3PZ 0.18897 -0.04477 0.36111 0.20422 -0.32062 191 4XX -0.00674 -0.05263 -0.00293 -0.09019 -0.04183 192 4YY -0.07543 0.01597 -0.09506 -0.09369 0.22799 193 4ZZ 0.07775 0.03219 0.11143 0.14506 -0.14452 194 4XY -0.04564 -0.02172 -0.21381 0.10074 0.02652 195 4XZ 0.03447 -0.07826 -0.06873 0.02867 0.09661 196 4YZ -0.01779 0.07362 0.11935 -0.22017 0.07029 197 21 H 1S 0.03699 -0.02778 0.31933 -0.09092 -0.12004 198 2S 0.08921 0.00204 0.46667 -0.04933 -0.06184 199 22 C 1S 0.00257 -0.00111 0.01798 -0.00275 -0.00170 200 2S 0.00370 -0.08137 0.46940 -0.11761 0.14187 201 2PX -0.04169 -0.00042 -0.03365 0.02604 0.01063 202 2PY 0.00507 0.03503 -0.08205 -0.11812 0.05332 203 2PZ 0.05864 0.04863 -0.00068 0.03480 -0.14698 204 3S -0.50672 -0.10083 -3.62315 -0.05874 0.31826 205 3PX 0.04663 0.02774 -0.28917 0.03346 -0.02542 206 3PY -0.09748 -0.14082 1.34556 0.01658 0.11651 207 3PZ 0.09980 -0.07133 1.56018 -0.22824 -0.04461 208 4XX -0.06918 0.00487 -0.05705 -0.03873 0.03153 209 4YY 0.03027 0.00836 0.04195 -0.21244 0.01109 210 4ZZ 0.01194 -0.01114 -0.06027 0.26731 -0.01177 211 4XY 0.00436 0.03662 -0.03208 0.06745 0.05268 212 4XZ -0.02810 -0.02665 -0.01103 0.02345 0.02647 213 4YZ -0.06538 0.01573 -0.11210 -0.34315 0.11130 214 23 H 1S 0.03565 0.02413 -0.00259 0.21921 -0.04069 215 2S 0.09164 0.09214 -0.45735 0.00881 -0.06535 161 162 163 164 165 V V V V V Eigenvalues -- 1.98587 2.02452 2.04220 2.05221 2.08275 1 1 C 1S 0.01128 0.00200 0.01533 0.00411 -0.00035 2 2S 0.21933 -0.03690 0.40626 0.07502 0.12293 3 2PX 0.06461 -0.00281 0.10744 0.03261 0.06267 4 2PY -0.02002 -0.08682 0.22305 0.07880 -0.06675 5 2PZ -0.03704 0.00649 -0.10157 -0.03412 -0.06055 6 3S -0.85332 -0.84567 0.17122 -0.13306 -0.06154 7 3PX -0.13130 -0.54191 -0.08723 -0.11691 -0.31954 8 3PY 0.32491 -0.20549 -0.67693 -0.28578 0.06243 9 3PZ 0.26429 0.41216 0.09178 0.07732 -0.15744 10 4XX 0.13804 -0.12112 0.33445 0.03706 -0.32532 11 4YY 0.02855 -0.04422 -0.44940 -0.10067 -0.03550 12 4ZZ -0.20317 0.16389 0.24666 0.11063 0.34757 13 4XY -0.07421 0.04399 -0.15363 -0.09950 -0.06190 14 4XZ 0.22273 -0.09690 0.01107 -0.02455 0.13092 15 4YZ -0.03014 -0.08204 0.11389 0.14728 -0.12867 16 2 C 1S -0.00811 -0.01538 0.00646 0.01441 0.00524 17 2S 0.12643 -0.11361 -0.13353 -0.18086 0.11326 18 2PX 0.06090 0.03932 0.03755 -0.03432 0.04118 19 2PY 0.11425 -0.14945 -0.14252 -0.19769 0.01378 20 2PZ -0.09440 0.00680 -0.05916 -0.02296 0.06965 21 3S -0.05070 0.39752 -0.15102 -0.64525 -0.16799 22 3PX -0.66344 0.01066 0.42785 -0.02916 0.28593 23 3PY 0.35225 1.02614 0.36638 0.89745 -0.22177 24 3PZ 0.41944 0.58252 -0.42351 0.27482 0.29711 25 4XX 0.06672 -0.06204 0.08852 0.00222 -0.04378 26 4YY -0.03264 0.25970 0.07493 0.05042 0.00857 27 4ZZ -0.00648 -0.18479 -0.15434 -0.01294 0.06773 28 4XY -0.07048 0.04124 0.00011 0.03197 0.03538 29 4XZ 0.07889 0.06174 0.04835 0.08522 0.20807 30 4YZ -0.06145 0.08934 -0.00109 0.00048 -0.01173 31 3 C 1S -0.01795 0.01558 -0.00087 -0.00202 0.01219 32 2S -0.11115 0.27746 -0.22870 0.38470 0.20682 33 2PX 0.03376 -0.01399 0.01415 0.05290 0.01781 34 2PY -0.05588 -0.11817 -0.05262 0.23965 -0.13063 35 2PZ -0.08074 0.06131 -0.06326 0.05532 0.06504 36 3S 0.73160 -1.70543 -0.24171 0.03500 -0.42026 37 3PX 0.06834 -0.13202 0.01368 -0.12508 -0.49325 38 3PY -0.34696 -1.00053 0.19661 -0.66633 0.07027 39 3PZ -0.02180 -0.84335 0.04378 -0.01578 -0.06869 40 4XX -0.37991 0.12910 -0.01201 0.15948 0.22546 41 4YY 0.11087 -0.04856 0.13283 -0.36991 -0.10246 42 4ZZ 0.23622 -0.10200 -0.11239 0.23250 -0.14069 43 4XY -0.12637 -0.17240 0.03823 0.16936 -0.05953 44 4XZ -0.07816 -0.23663 -0.09139 0.07997 -0.00944 45 4YZ 0.26238 0.06534 -0.00971 -0.13441 0.12936 46 4 C 1S -0.01765 -0.01560 -0.00086 -0.00206 -0.01220 47 2S -0.10653 -0.27728 -0.22859 0.38417 -0.20708 48 2PX 0.03395 0.01406 0.01413 0.05300 -0.01784 49 2PY 0.05542 -0.11821 0.05260 -0.23974 -0.13040 50 2PZ -0.08011 -0.06129 -0.06326 0.05522 -0.06507 51 3S 0.70464 1.70581 -0.24229 0.03711 0.42059 52 3PX 0.07220 0.13273 0.01383 -0.12522 0.49334 53 3PY 0.35694 -1.00005 -0.19631 0.66618 0.07011 54 3PZ -0.02992 0.84299 0.04382 -0.01537 0.06871 55 4XX -0.38003 -0.12902 -0.01208 0.15945 -0.22559 56 4YY 0.11125 0.04831 0.13284 -0.37001 0.10267 57 4ZZ 0.23560 0.10213 -0.11233 0.23268 0.14057 58 4XY 0.12483 -0.17243 -0.03838 -0.16898 -0.05965 59 4XZ -0.07636 0.23645 -0.09138 0.07988 0.00927 60 4YZ -0.26222 0.06539 0.00970 0.13449 0.12921 61 5 C 1S -0.00807 0.01537 0.00646 0.01440 -0.00526 62 2S 0.12580 0.11358 -0.13357 -0.18090 -0.11294 63 2PX 0.06161 -0.03918 0.03745 -0.03448 -0.04115 64 2PY -0.11512 -0.14949 0.14256 0.19773 0.01351 65 2PZ -0.09420 -0.00686 -0.05919 -0.02307 -0.06961 66 3S -0.04745 -0.39736 -0.15095 -0.64573 0.16836 67 3PX -0.65980 -0.01172 0.42790 -0.02916 -0.28616 68 3PY -0.36880 1.02563 -0.36636 -0.89739 -0.22123 69 3PZ 0.41999 -0.58211 -0.42348 0.27477 -0.29705 70 4XX 0.06815 0.06201 0.08852 0.00216 0.04372 71 4YY -0.03577 -0.25961 0.07492 0.05056 -0.00857 72 4ZZ -0.00418 0.18474 -0.15435 -0.01306 -0.06772 73 4XY 0.07122 0.04155 -0.00005 -0.03198 0.03549 74 4XZ 0.07947 -0.06171 0.04828 0.08505 -0.20810 75 4YZ 0.06211 0.08930 0.00111 -0.00046 -0.01191 76 6 C 1S 0.01139 -0.00200 0.01533 0.00410 0.00035 77 2S 0.22056 0.03704 0.40621 0.07482 -0.12303 78 2PX 0.06438 0.00290 0.10755 0.03261 -0.06267 79 2PY 0.01919 -0.08683 -0.22300 -0.07875 -0.06668 80 2PZ -0.03681 -0.00649 -0.10155 -0.03408 0.06060 81 3S -0.86895 0.84511 0.17100 -0.13252 0.06136 82 3PX -0.13391 0.54188 -0.08763 -0.11682 0.31957 83 3PY -0.31702 -0.20521 0.67694 0.28544 0.06217 84 3PZ 0.26569 -0.41199 0.09194 0.07751 0.15746 85 4XX 0.13690 0.12109 0.33442 0.03724 0.32532 86 4YY 0.02890 0.04429 -0.44921 -0.10055 0.03563 87 4ZZ -0.20245 -0.16397 0.24649 0.11034 -0.34778 88 4XY 0.07529 0.04406 0.15424 0.09951 -0.06179 89 4XZ 0.22462 0.09699 0.01109 -0.02470 -0.13076 90 4YZ 0.03010 -0.08194 -0.11396 -0.14737 -0.12856 91 7 H 1S 0.18456 -0.17634 -0.00164 0.03870 0.01532 92 2S -0.01229 -0.14897 -0.16396 -0.09453 -0.01303 93 8 H 1S -0.41657 -0.19696 0.04297 0.02488 0.07895 94 2S -0.01538 -0.15420 0.03809 -0.05926 0.09003 95 9 H 1S -0.41574 0.19667 0.04301 0.02466 -0.07907 96 2S -0.01737 0.15407 0.03812 -0.05936 -0.08999 97 10 H 1S 0.18579 0.17637 -0.00165 0.03855 -0.01534 98 2S -0.01339 0.14894 -0.16397 -0.09450 0.01314 99 11 O 1S -0.00618 -0.00748 -0.00080 -0.00920 0.00221 100 2S -0.07512 -0.39212 -0.15193 -0.30739 -0.02889 101 2PX -0.02585 -0.02213 0.03006 -0.00780 0.04480 102 2PY 0.04485 -0.21144 -0.07000 -0.07168 -0.03703 103 2PZ -0.04783 0.02827 -0.05950 0.00747 0.05579 104 3S 0.38173 1.02340 0.41264 1.09001 -0.01786 105 3PX 0.16000 0.03385 -0.10345 0.05846 -0.13800 106 3PY 0.07084 0.31354 0.12159 0.29624 0.05571 107 3PZ 0.04518 -0.12024 0.16431 -0.01926 -0.16128 108 4XX -0.03463 -0.05682 -0.14244 -0.00164 0.01650 109 4YY -0.06933 -0.07216 -0.04297 -0.12009 0.05026 110 4ZZ 0.07141 -0.08265 0.12872 -0.00477 -0.06748 111 4XY 0.11525 -0.06596 -0.22927 0.04694 -0.14079 112 4XZ -0.09555 0.00963 0.03628 0.07306 -0.23930 113 4YZ 0.15588 -0.18723 0.22822 -0.07244 -0.19939 114 12 O 1S -0.00640 0.00747 -0.00080 -0.00920 -0.00220 115 2S -0.07685 0.39199 -0.15197 -0.30747 0.02911 116 2PX -0.02542 0.02224 0.02998 -0.00793 -0.04478 117 2PY -0.04697 -0.21141 0.07001 0.07176 -0.03712 118 2PZ -0.04754 -0.02828 -0.05951 0.00740 -0.05577 119 3S 0.39524 -1.02295 0.41283 1.09010 0.01709 120 3PX 0.16007 -0.03396 -0.10327 0.05887 0.13802 121 3PY -0.07322 0.31342 -0.12169 -0.29622 0.05601 122 3PZ 0.04533 0.12021 0.16435 -0.01911 0.16122 123 4XX -0.03391 0.05692 -0.14271 -0.00164 -0.01636 124 4YY -0.07014 0.07201 -0.04273 -0.12021 -0.05036 125 4ZZ 0.07100 0.08264 0.12873 -0.00473 0.06750 126 4XY -0.11466 -0.06605 0.22912 -0.04694 -0.14084 127 4XZ -0.09550 -0.00955 0.03653 0.07331 0.23932 128 4YZ -0.15534 -0.18727 -0.22824 0.07225 -0.19920 129 13 C 1S -0.01643 0.00002 0.01130 -0.06777 0.00002 130 2S -0.27758 0.00005 -0.04364 -0.72091 0.00036 131 2PX 0.01191 -0.00002 0.03754 0.05021 -0.00008 132 2PY -0.00025 0.16669 -0.00001 0.00005 -0.02074 133 2PZ -0.01946 0.00001 -0.04922 -0.04354 0.00005 134 3S 1.15487 -0.00059 -0.41222 2.90657 -0.00078 135 3PX -0.08349 -0.00005 -0.03899 -0.79660 0.00048 136 3PY -0.00044 0.08538 -0.00005 -0.00019 0.15644 137 3PZ 0.11108 -0.00038 0.01501 0.65313 0.00000 138 4XX 0.10718 0.00004 -0.02833 0.16188 -0.00014 139 4YY -0.21506 -0.00005 0.07100 -0.32279 0.00021 140 4ZZ 0.17355 0.00003 -0.03844 0.17161 -0.00009 141 4XY 0.00044 0.00514 -0.00006 0.00022 0.08714 142 4XZ 0.12384 -0.00007 -0.12692 -0.07814 0.00012 143 4YZ -0.00084 0.27075 -0.00007 -0.00007 -0.02949 144 14 H 1S -0.20610 0.00006 0.10489 -0.24934 -0.00001 145 2S -0.03620 0.00006 0.01689 -0.00930 -0.00009 146 15 H 1S -0.20005 -0.00002 0.07181 -0.32386 0.00017 147 2S -0.10887 -0.00010 0.02967 0.07921 0.00001 148 16 C 1S 0.00513 -0.04551 -0.00296 0.01095 -0.01045 149 2S 0.24022 -0.39305 -0.10335 0.31452 -0.15170 150 2PX 0.03229 0.03863 -0.01761 -0.01504 -0.03242 151 2PY 0.08869 0.02503 -0.04117 0.03864 -0.07055 152 2PZ 0.02904 -0.05124 0.02257 0.00345 0.08034 153 3S -0.60557 1.50498 0.30652 -1.31504 0.74286 154 3PX -0.04776 -0.35928 0.06093 -0.10925 -0.01638 155 3PY -0.30070 1.16174 0.22182 -0.79322 0.01092 156 3PZ 0.08107 0.58922 -0.02451 0.20416 -0.18682 157 4XX 0.06138 0.10075 0.02700 0.00726 -0.04070 158 4YY 0.01298 -0.35098 0.02941 0.02721 0.27097 159 4ZZ -0.06641 0.20109 -0.05503 -0.06164 -0.19295 160 4XY 0.01783 0.10895 0.08147 -0.07814 -0.07448 161 4XZ 0.12352 -0.12268 -0.07211 0.13035 0.12749 162 4YZ 0.00250 0.03866 0.01166 -0.01964 -0.00215 163 17 H 1S 0.01857 0.33758 -0.00710 -0.04725 -0.26322 164 2S -0.03881 0.30792 0.06471 -0.11642 -0.02033 165 18 C 1S -0.00049 0.01118 0.00725 0.00882 0.00409 166 2S -0.01594 -0.06881 0.05073 0.17347 0.11880 167 2PX 0.03932 -0.02231 0.02731 0.05999 0.02200 168 2PY -0.03985 0.06860 0.02830 0.00651 -0.11911 169 2PZ -0.06551 0.17383 -0.02526 -0.13317 -0.10340 170 3S 0.15043 -1.42962 -0.10791 -0.02775 -0.31342 171 3PX -0.08990 -0.02192 -0.05806 -0.08180 -0.12130 172 3PY 0.03648 -0.28013 -0.11486 0.12732 0.00134 173 3PZ 0.01412 0.45454 0.17161 -0.06480 0.35929 174 4XX -0.03022 -0.00938 0.08949 0.07589 0.06393 175 4YY 0.09827 -0.02407 -0.01137 -0.05930 -0.03031 176 4ZZ -0.06636 -0.00305 -0.04714 0.01465 -0.00932 177 4XY 0.03950 0.10921 -0.02565 -0.04233 0.00667 178 4XZ 0.17187 -0.00234 -0.04385 0.31089 0.03835 179 4YZ -0.02995 0.17962 0.01691 0.05555 -0.16507 180 19 H 1S 0.00095 0.09824 -0.00600 0.15478 -0.10506 181 2S -0.04371 -0.09541 -0.08237 -0.00817 -0.03390 182 20 C 1S 0.00484 0.04550 -0.00297 0.01098 0.01045 183 2S 0.23833 0.39288 -0.10359 0.31494 0.15159 184 2PX 0.03267 -0.03862 -0.01761 -0.01500 0.03252 185 2PY -0.08927 0.02499 0.04117 -0.03872 -0.07053 186 2PZ 0.02843 0.05120 0.02262 0.00332 -0.08036 187 3S -0.59820 -1.50431 0.30740 -1.31676 -0.74241 188 3PX -0.05013 0.35897 0.06095 -0.10950 0.01608 189 3PY 0.29674 1.16167 -0.22222 0.79366 0.01072 190 3PZ 0.08402 -0.58871 -0.02438 0.20439 0.18650 191 4XX 0.06170 -0.10086 0.02713 0.00718 0.04069 192 4YY 0.01101 0.35110 0.02931 0.02712 -0.27110 193 4ZZ -0.06513 -0.20105 -0.05503 -0.06150 0.19309 194 4XY -0.01821 0.10849 -0.08150 0.07806 -0.07408 195 4XZ 0.12260 0.12268 -0.07212 0.13023 -0.12757 196 4YZ -0.00299 0.03890 -0.01173 0.01976 -0.00231 197 21 H 1S 0.01979 -0.33755 -0.00706 -0.04710 0.26322 198 2S -0.03793 -0.30783 0.06478 -0.11649 0.02030 199 22 C 1S -0.00047 -0.01118 0.00726 0.00881 -0.00411 200 2S -0.01697 0.06864 0.05079 0.17330 -0.11900 201 2PX 0.03915 0.02226 0.02733 0.05999 -0.02197 202 2PY 0.03943 0.06871 -0.02828 -0.00654 -0.11914 203 2PZ -0.06424 -0.17377 -0.02525 -0.13312 0.10353 204 3S 0.14633 1.42943 -0.10883 -0.02654 0.31379 205 3PX -0.08969 0.02193 -0.05826 -0.08161 0.12147 206 3PY -0.03688 -0.28018 0.11511 -0.12761 0.00155 207 3PZ 0.01505 -0.45460 0.17209 -0.06551 -0.35944 208 4XX -0.03049 0.00912 0.08948 0.07578 -0.06405 209 4YY 0.09812 0.02427 -0.01135 -0.05922 0.03036 210 4ZZ -0.06624 0.00312 -0.04715 0.01467 0.00934 211 4XY -0.04010 0.10914 0.02569 0.04240 0.00657 212 4XZ 0.17156 0.00244 -0.04383 0.31090 -0.03865 213 4YZ 0.02910 0.17958 -0.01692 -0.05550 -0.16494 214 23 H 1S 0.00129 -0.09819 -0.00603 0.15486 0.10482 215 2S -0.04338 0.09546 -0.08250 -0.00807 0.03399 166 167 168 169 170 V V V V V Eigenvalues -- 2.09860 2.10509 2.11488 2.13671 2.20205 1 1 C 1S 0.00399 -0.00251 0.00189 -0.00845 0.01063 2 2S 0.00119 -0.11706 -0.14703 -0.22826 -0.09612 3 2PX -0.00712 -0.04368 -0.01428 -0.07910 -0.07714 4 2PY 0.01605 0.01841 -0.09508 0.15282 0.01693 5 2PZ -0.01065 0.05068 0.02043 0.10706 0.05527 6 3S -0.20826 -0.04312 0.23553 0.67079 -0.80419 7 3PX -0.10085 0.09286 0.16722 0.11820 -0.09958 8 3PY -0.13219 -0.17397 0.27546 0.02197 0.29081 9 3PZ 0.18773 -0.06386 -0.14763 -0.48663 0.21894 10 4XX 0.02968 0.00532 -0.03656 -0.31141 0.07053 11 4YY 0.04046 0.01366 0.14600 0.12935 0.06343 12 4ZZ -0.06889 -0.01005 -0.11563 0.21825 -0.10797 13 4XY -0.04209 -0.00019 -0.01255 -0.09076 0.01445 14 4XZ 0.06722 -0.07118 0.05485 -0.08185 0.06331 15 4YZ 0.03932 0.01969 -0.06861 0.04506 -0.03927 16 2 C 1S 0.00340 -0.00407 0.00213 -0.00206 -0.01285 17 2S 0.04050 -0.01286 0.10493 -0.35683 -0.11315 18 2PX 0.05168 0.04281 -0.01189 -0.02943 -0.05201 19 2PY -0.02074 -0.05919 0.13381 -0.15661 -0.06533 20 2PZ -0.02892 -0.02317 0.00028 0.01970 -0.00370 21 3S -0.55434 -0.49403 0.17321 -0.33557 0.20696 22 3PX -0.18791 -0.05828 0.04185 0.37744 -0.54279 23 3PY 1.06029 0.60641 -1.04260 0.20408 0.71453 24 3PZ 0.14513 -0.00537 -0.22210 -0.03398 0.79447 25 4XX 0.01181 -0.04248 0.15667 -0.07511 0.03819 26 4YY -0.04802 0.00175 -0.12460 -0.02915 0.07021 27 4ZZ 0.06296 0.01597 -0.01732 0.11426 -0.12204 28 4XY -0.02240 -0.01722 -0.03792 0.07324 0.00101 29 4XZ 0.01815 -0.10696 -0.07524 -0.35490 -0.04686 30 4YZ -0.02466 0.01224 0.01350 0.03250 0.05572 31 3 C 1S -0.00504 0.00186 0.00282 -0.00663 0.01496 32 2S -0.07500 -0.06152 -0.36589 -0.40076 0.45412 33 2PX -0.05183 0.01229 0.03317 0.13722 -0.01563 34 2PY 0.03009 0.03779 -0.17294 0.12413 0.12822 35 2PZ -0.02621 -0.04093 -0.07992 -0.13216 0.04181 36 3S 0.23191 -0.30341 0.05453 0.83050 0.00170 37 3PX 0.27573 0.04026 -0.19395 -0.32906 -0.22470 38 3PY -0.32366 -0.33668 0.67641 0.46288 -0.74962 39 3PZ -0.18961 0.05612 0.58677 0.50817 -0.41206 40 4XX -0.10259 -0.05489 0.02376 0.10936 -0.11676 41 4YY 0.00377 0.03788 0.16798 0.09356 -0.06636 42 4ZZ 0.10866 0.02044 -0.15510 -0.14041 0.14106 43 4XY 0.03163 0.07610 -0.04168 0.17965 0.04048 44 4XZ 0.02953 0.03310 0.26557 -0.10349 -0.24885 45 4YZ 0.08968 0.02571 -0.11266 0.07609 0.05691 46 4 C 1S -0.00504 -0.00188 0.00283 0.00662 0.01472 47 2S -0.07521 0.06181 -0.36558 0.40056 0.44978 48 2PX -0.05179 -0.01254 0.03310 -0.13730 -0.01627 49 2PY -0.03020 0.03741 0.17303 0.12413 -0.12842 50 2PZ -0.02632 0.04097 -0.07985 0.13215 0.04160 51 3S 0.23147 0.30377 0.05322 -0.83000 0.02885 52 3PX 0.27544 -0.03865 -0.19305 0.32848 -0.22706 53 3PY 0.32457 -0.33461 -0.67655 0.46292 0.73895 54 3PZ -0.18934 -0.05786 0.58623 -0.50767 -0.40365 55 4XX -0.10272 0.05442 0.02362 -0.10953 -0.11473 56 4YY 0.00387 -0.03803 0.16794 -0.09336 -0.06624 57 4ZZ 0.10869 -0.01982 -0.15494 0.14039 0.13966 58 4XY -0.03190 0.07598 0.04146 0.17957 -0.04001 59 4XZ 0.02972 -0.03336 0.26541 0.10348 -0.24737 60 4YZ -0.08976 0.02519 0.11283 0.07621 -0.05706 61 5 C 1S 0.00339 0.00408 0.00212 0.00207 -0.01274 62 2S 0.04057 0.01285 0.10474 0.35686 -0.11011 63 2PX 0.05181 -0.04252 -0.01188 0.02951 -0.05182 64 2PY 0.02093 -0.05888 -0.13383 -0.15662 0.06442 65 2PZ -0.02899 0.02305 0.00030 -0.01969 -0.00348 66 3S -0.55612 0.49145 0.17468 0.33562 0.19559 67 3PX -0.18732 0.05747 0.04138 -0.37776 -0.54385 68 3PY -1.06192 0.60048 1.04237 0.20486 -0.69907 69 3PZ 0.14509 0.00591 -0.22224 0.03420 0.79198 70 4XX 0.01166 0.04232 0.15669 0.07491 0.03777 71 4YY -0.04797 -0.00177 -0.12451 0.02925 0.07044 72 4ZZ 0.06299 -0.01571 -0.01739 -0.11416 -0.12251 73 4XY 0.02253 -0.01716 0.03812 0.07326 -0.00086 74 4XZ 0.01787 0.10717 -0.07515 0.35491 -0.04655 75 4YZ 0.02464 0.01245 -0.01357 0.03272 -0.05577 76 6 C 1S 0.00398 0.00252 0.00190 0.00845 0.01055 77 2S 0.00085 0.11740 -0.14683 0.22824 -0.09722 78 2PX -0.00722 0.04370 -0.01430 0.07899 -0.07684 79 2PY -0.01608 0.01817 0.09509 0.15292 -0.01640 80 2PZ -0.01051 -0.05078 0.02040 -0.10708 0.05505 81 3S -0.20818 0.04232 0.23453 -0.67086 -0.78741 82 3PX -0.10061 -0.09342 0.16698 -0.11812 -0.09353 83 3PY 0.13259 -0.17270 -0.27494 0.02154 -0.29713 84 3PZ 0.18745 0.06480 -0.14715 0.48650 0.21355 85 4XX 0.02966 -0.00510 -0.03653 0.31143 0.07087 86 4YY 0.04053 -0.01386 0.14599 -0.12944 0.06296 87 4ZZ -0.06891 0.01006 -0.11569 -0.21818 -0.10767 88 4XY 0.04205 -0.00002 0.01237 -0.09046 -0.01537 89 4XZ 0.06703 0.07129 0.05480 0.08187 0.06347 90 4YZ -0.03932 0.01945 0.06866 0.04510 0.03897 91 7 H 1S 0.03381 -0.03069 0.05494 0.01698 0.05115 92 2S -0.08969 0.01917 0.08983 0.08731 0.02880 93 8 H 1S -0.18998 -0.00612 0.33537 0.09070 -0.22995 94 2S -0.10553 0.01156 0.25049 0.18611 -0.11806 95 9 H 1S -0.18998 0.00498 0.33530 -0.09056 -0.22890 96 2S -0.10542 -0.01238 0.25038 -0.18596 -0.11656 97 10 H 1S 0.03371 0.03066 0.05488 -0.01690 0.05162 98 2S -0.08961 -0.01974 0.08963 -0.08722 0.03086 99 11 O 1S -0.01779 -0.00833 0.00952 -0.00659 -0.00259 100 2S -0.29980 -0.20557 0.32595 -0.03741 -0.20024 101 2PX 0.00166 -0.01911 0.02078 0.03387 -0.04770 102 2PY 0.01342 -0.01644 0.10052 0.01825 -0.05231 103 2PZ -0.00749 -0.01478 0.01873 0.01686 0.02310 104 3S 1.29368 0.78013 -1.08745 0.28531 0.61287 105 3PX 0.10055 0.07183 -0.07987 -0.10274 0.19821 106 3PY 0.32560 0.20191 -0.28662 0.06421 0.13949 107 3PZ 0.04189 0.05633 -0.01924 -0.02582 -0.14602 108 4XX -0.03073 0.00588 -0.05508 0.00178 0.04119 109 4YY -0.10999 -0.06843 0.08727 0.02135 -0.08466 110 4ZZ 0.00087 -0.02086 0.11638 -0.05885 -0.01715 111 4XY 0.02453 -0.03833 -0.00481 -0.12430 0.17876 112 4XZ 0.05519 0.14873 -0.06131 0.24789 0.04901 113 4YZ 0.01271 0.02915 0.04553 -0.08791 -0.14656 114 12 O 1S -0.01782 0.00824 0.00952 0.00660 -0.00249 115 2S -0.30043 0.20381 0.32606 0.03766 -0.19821 116 2PX 0.00160 0.01912 0.02087 -0.03387 -0.04773 117 2PY -0.01336 -0.01630 -0.10050 0.01823 0.05248 118 2PZ -0.00754 0.01471 0.01874 -0.01683 0.02304 119 3S 1.29590 -0.77311 -1.08779 -0.28635 0.60309 120 3PX 0.10103 -0.07154 -0.08014 0.10263 0.19784 121 3PY -0.32612 0.20005 0.28670 0.06452 -0.13774 122 3PZ 0.04206 -0.05606 -0.01926 0.02568 -0.14597 123 4XX -0.03067 -0.00588 -0.05512 -0.00156 0.04089 124 4YY -0.11023 0.06780 0.08729 -0.02141 -0.08391 125 4ZZ 0.00081 0.02069 0.11640 0.05879 -0.01692 126 4XY -0.02432 -0.03840 0.00460 -0.12429 -0.17812 127 4XZ 0.05560 -0.14845 -0.06139 -0.24790 0.04846 128 4YZ -0.01277 0.02899 -0.04558 -0.08805 0.14631 129 13 C 1S -0.03548 -0.00004 -0.03440 -0.00001 0.03502 130 2S -0.15261 0.00028 -0.57401 -0.00012 -0.25947 131 2PX -0.10196 -0.00028 0.04553 0.00002 0.23853 132 2PY -0.00016 0.07978 0.00008 -0.01437 0.00048 133 2PZ 0.04478 0.00015 -0.06540 -0.00001 -0.14636 134 3S 1.13508 0.00042 1.97600 0.00044 -2.04780 135 3PX 0.50003 0.00147 -0.82856 -0.00022 -0.18644 136 3PY -0.00028 0.19987 -0.00023 -0.04211 0.00077 137 3PZ 1.32012 0.00164 0.80367 0.00010 -0.84307 138 4XX 0.20116 -0.00010 0.14273 0.00009 -0.10785 139 4YY 0.24881 0.00075 -0.14065 -0.00009 0.27196 140 4ZZ -0.49902 -0.00077 0.03064 0.00001 -0.09818 141 4XY -0.00088 0.49352 0.00061 -0.10601 0.00003 142 4XZ -0.11750 0.00006 -0.43542 -0.00001 -0.22075 143 4YZ -0.00059 0.35522 0.00022 -0.21785 0.00031 144 14 H 1S -0.40338 -0.00068 -0.01077 0.00001 0.38209 145 2S -0.32762 -0.00057 0.01415 0.00003 0.25858 146 15 H 1S 0.55051 0.00096 -0.07437 -0.00006 0.06893 147 2S 0.24343 0.00031 0.13371 0.00002 -0.11434 148 16 C 1S 0.01275 -0.03008 0.01585 0.01129 -0.02392 149 2S 0.00798 -0.50956 0.29981 -0.01863 -1.01797 150 2PX 0.00170 0.01462 -0.09880 0.00418 0.06632 151 2PY -0.06982 -0.18669 -0.01237 -0.02790 -0.23629 152 2PZ 0.09296 0.05286 0.07488 -0.02577 -0.04117 153 3S -0.44676 1.81472 -1.06856 -0.26982 2.44627 154 3PX -0.39716 0.02226 0.12943 0.04798 -0.08978 155 3PY -0.25152 1.03156 -0.73357 -0.16984 1.59102 156 3PZ -0.11927 0.61248 -0.07350 -0.13363 0.51674 157 4XX -0.14984 -0.05734 0.09051 -0.15741 0.19879 158 4YY 0.04017 0.22595 0.08923 0.02638 -0.03065 159 4ZZ 0.09339 -0.14505 -0.22812 0.12784 -0.00823 160 4XY -0.28123 0.21253 0.13779 -0.02291 0.26500 161 4XZ -0.04284 -0.08308 -0.04513 0.04859 -0.13072 162 4YZ -0.09939 0.35396 0.10928 -0.05492 0.02999 163 17 H 1S -0.07191 -0.16323 -0.11911 -0.02091 0.14461 164 2S -0.02743 0.34021 -0.15084 -0.05410 0.40234 165 18 C 1S 0.01298 0.01383 0.01451 -0.00299 0.02602 166 2S 0.34051 0.05654 0.51464 0.08294 0.13240 167 2PX 0.01595 0.01705 0.03236 -0.05159 0.00903 168 2PY 0.25039 -0.15689 0.10346 0.02652 0.12024 169 2PZ 0.01211 0.07380 -0.22066 -0.00218 0.02692 170 3S -0.02529 -1.91390 -0.06090 0.15358 -1.26481 171 3PX -0.04693 -0.38309 -0.03525 0.11480 -0.14264 172 3PY -0.44635 -0.59854 -0.17396 0.10543 -0.23974 173 3PZ 0.21749 0.97892 0.17069 -0.23365 0.66712 174 4XX 0.24727 -0.11659 0.23430 -0.14485 0.20060 175 4YY -0.39035 -0.09932 -0.18446 0.02696 -0.08784 176 4ZZ 0.20478 0.16679 -0.04945 0.08557 -0.02793 177 4XY 0.03502 0.21018 -0.06753 -0.21708 -0.11196 178 4XZ -0.08900 -0.01386 0.14132 -0.02300 0.01457 179 4YZ -0.17915 -0.16942 0.03792 -0.00976 0.25477 180 19 H 1S -0.20685 -0.27384 0.10163 0.03487 0.18584 181 2S -0.11455 -0.20755 -0.14000 0.11652 -0.21713 182 20 C 1S 0.01265 0.03010 0.01590 -0.01128 -0.02371 183 2S 0.00627 0.50920 0.30044 0.01881 -1.01531 184 2PX 0.00169 -0.01433 -0.09883 -0.00420 0.06627 185 2PY 0.07049 -0.18646 0.01200 -0.02793 0.23638 186 2PZ 0.09319 -0.05273 0.07484 0.02578 -0.04216 187 3S -0.44031 -1.81488 -1.07092 0.26930 2.43066 188 3PX -0.39722 -0.02452 0.12894 -0.04779 -0.08683 189 3PY 0.24772 1.03153 0.73520 -0.16954 -1.58451 190 3PZ -0.11707 -0.61264 -0.07437 0.13358 0.51430 191 4XX -0.15037 0.05640 0.09071 0.15751 0.19759 192 4YY 0.04137 -0.22586 0.08884 -0.02637 -0.03085 193 4ZZ 0.09281 0.14589 -0.22791 -0.12796 -0.00740 194 4XY 0.28041 0.21397 -0.13733 -0.02284 -0.26478 195 4XZ -0.04305 0.08285 -0.04483 -0.04856 -0.13257 196 4YZ 0.09814 0.35442 -0.10856 -0.05498 -0.03067 197 21 H 1S -0.07264 0.16307 -0.11887 0.02088 0.14438 198 2S -0.02617 -0.34001 -0.15145 0.05402 0.40120 199 22 C 1S 0.01303 -0.01382 0.01449 0.00299 0.02585 200 2S 0.34085 -0.05629 0.51470 -0.08277 0.12895 201 2PX 0.01617 -0.01694 0.03240 0.05159 0.00887 202 2PY -0.24978 -0.15760 -0.10369 0.02657 -0.12024 203 2PZ 0.01225 -0.07341 -0.22085 0.00208 0.02786 204 3S -0.03218 1.91427 -0.05847 -0.15359 -1.24533 205 3PX -0.04862 0.38330 -0.03498 -0.11484 -0.13957 206 3PY 0.44834 -0.59681 0.17323 0.10528 0.23321 207 3PZ 0.22128 -0.97867 0.16942 0.23371 0.65716 208 4XX 0.24689 0.11676 0.23437 0.14510 0.20002 209 4YY -0.39079 0.09854 -0.18416 -0.02717 -0.08792 210 4ZZ 0.20542 -0.16597 -0.04973 -0.08562 -0.02725 211 4XY -0.03527 0.20992 0.06832 -0.21694 0.11196 212 4XZ -0.08912 0.01345 0.14150 0.02300 0.01334 213 4YZ 0.17965 -0.16863 -0.03808 -0.00974 -0.25540 214 23 H 1S -0.20785 0.27287 0.10206 -0.03482 0.18617 215 2S -0.11534 0.20738 -0.13977 -0.11655 -0.21431 171 172 173 174 175 V V V V V Eigenvalues -- 2.20450 2.21754 2.24202 2.27769 2.28225 1 1 C 1S -0.01415 -0.01135 -0.01153 -0.00086 -0.00466 2 2S -0.17451 -0.07754 -0.08548 -0.07245 -0.23005 3 2PX 0.04951 -0.02209 -0.01965 0.00763 -0.07908 4 2PY -0.12602 -0.12892 -0.03243 -0.01870 0.07532 5 2PZ -0.04833 -0.06294 -0.05359 0.04562 0.01897 6 3S 2.68487 0.37947 0.44494 -0.18747 1.72363 7 3PX 0.91085 -0.05842 0.06891 -0.01248 0.52538 8 3PY 0.89333 -0.27180 -0.22830 0.06205 0.85358 9 3PZ -0.87726 -0.25955 -0.11863 0.09937 -0.71385 10 4XX 0.03068 -0.14006 -0.13977 0.11019 -0.06625 11 4YY -0.09485 -0.08845 0.02222 0.08275 0.08005 12 4ZZ 0.08207 0.20248 0.11810 -0.20312 0.06547 13 4XY 0.12456 -0.23728 0.00319 -0.09284 -0.24418 14 4XZ 0.00306 -0.10834 -0.06067 -0.02785 0.04505 15 4YZ -0.00371 -0.37897 0.15730 -0.07290 -0.10693 16 2 C 1S 0.01490 -0.00889 0.00222 0.00226 0.00921 17 2S 0.51320 0.01880 0.01632 0.03578 -0.06335 18 2PX 0.04684 -0.00687 0.08973 0.03325 -0.07127 19 2PY 0.14563 0.00926 -0.02461 -0.02215 -0.04736 20 2PZ 0.02813 -0.05338 -0.10315 0.00053 -0.01659 21 3S -1.72542 0.42254 -0.27887 -0.19799 -1.08043 22 3PX -0.14349 0.51882 0.38240 -0.21278 -0.16912 23 3PY -2.44964 0.22933 0.42951 0.42364 -1.28214 24 3PZ -0.54785 -0.63093 -0.32428 0.29003 0.07715 25 4XX -0.12809 -0.31020 -0.27443 0.39400 -0.05895 26 4YY 0.06957 0.14749 -0.01511 -0.02534 -0.04289 27 4ZZ -0.05606 0.14053 0.30061 -0.36604 0.10366 28 4XY -0.01851 0.07982 0.08718 -0.07080 -0.00147 29 4XZ 0.06989 0.08454 0.04107 0.00142 -0.16425 30 4YZ -0.00170 -0.01222 -0.06681 0.03054 0.00087 31 3 C 1S -0.03927 0.00056 0.01280 -0.00029 -0.04026 32 2S -0.67674 0.00653 0.17982 0.18581 -0.73566 33 2PX -0.13024 -0.06006 0.06069 -0.03271 0.01143 34 2PY 0.01323 -0.00941 0.07920 0.06202 0.09610 35 2PZ -0.01617 0.02943 0.01304 0.01587 -0.12221 36 3S 4.17869 -0.58248 -0.50256 0.08019 3.50958 37 3PX -0.00073 1.10428 0.17954 -0.01447 -0.55744 38 3PY 1.67997 -0.03061 -0.07117 -0.23880 1.22484 39 3PZ 1.20446 -0.61971 -0.20033 -0.19662 1.26007 40 4XX 0.24818 -0.36350 -0.17422 0.19818 0.12626 41 4YY 0.01042 -0.00146 -0.02710 -0.10407 0.07763 42 4ZZ -0.14227 0.37610 0.19503 -0.11734 -0.08536 43 4XY -0.02532 0.19620 -0.13152 0.12329 -0.21405 44 4XZ 0.26403 0.07039 0.09117 0.03059 0.03344 45 4YZ 0.03720 0.08900 0.01368 0.14286 -0.28432 46 4 C 1S 0.03934 -0.00054 0.01278 -0.00003 0.04024 47 2S 0.67946 -0.00690 0.17950 0.19123 0.73440 48 2PX 0.13006 0.06022 0.06072 -0.03279 -0.01132 49 2PY 0.01254 -0.00936 -0.07912 -0.06162 0.09646 50 2PZ 0.01644 -0.02949 0.01299 0.01684 0.12213 51 3S -4.17753 0.58137 -0.50206 0.05665 -3.50869 52 3PX -0.00179 -1.10376 0.18037 -0.01026 0.55651 53 3PY 1.68517 -0.03234 0.07157 0.24442 1.22474 54 3PZ -1.20657 0.61997 -0.20049 -0.20536 -1.25845 55 4XX -0.24883 0.36332 -0.17478 0.19778 -0.12770 56 4YY -0.01090 0.00165 -0.02708 -0.10425 -0.07703 57 4ZZ 0.14313 -0.37602 0.19557 -0.11756 0.08633 58 4XY -0.02596 0.19676 0.13133 -0.12474 -0.21338 59 4XZ -0.26572 -0.06990 0.09110 0.03099 -0.03387 60 4YZ 0.03656 0.08918 -0.01360 -0.14494 -0.28331 61 5 C 1S -0.01497 0.00890 0.00221 0.00221 -0.00925 62 2S -0.51378 -0.01880 0.01629 0.03635 0.06289 63 2PX -0.04731 0.00700 0.08965 0.03385 0.07090 64 2PY 0.14599 0.00926 0.02466 0.02185 -0.04744 65 2PZ -0.02811 0.05328 -0.10319 0.00069 0.01667 66 3S 1.72614 -0.42284 -0.27863 -0.19117 1.08232 67 3PX 0.14099 -0.51751 0.38273 -0.20923 0.17008 68 3PY -2.45389 0.22941 -0.42931 -0.43160 -1.27963 69 3PZ 0.55349 0.62908 -0.32449 0.28742 -0.07745 70 4XX 0.12854 0.30967 -0.27466 0.39456 0.05591 71 4YY -0.06912 -0.14747 -0.01515 -0.02487 0.04316 72 4ZZ 0.05506 -0.13997 0.30085 -0.36708 -0.10092 73 4XY -0.01828 0.08005 -0.08755 0.07141 -0.00195 74 4XZ -0.07014 -0.08446 0.04096 0.00276 0.16419 75 4YZ -0.00216 -0.01205 0.06691 -0.03069 0.00105 76 6 C 1S 0.01423 0.01131 -0.01154 -0.00084 0.00471 77 2S 0.17397 0.07752 -0.08544 -0.07146 0.23081 78 2PX -0.04989 0.02226 -0.01971 0.00818 0.07887 79 2PY -0.12617 -0.12884 0.03235 0.01974 0.07505 80 2PZ 0.04870 0.06279 -0.05366 0.04555 -0.01923 81 3S -2.69051 -0.37757 0.44525 -0.19723 -1.72437 82 3PX -0.91213 0.05888 0.06865 -0.01497 -0.52633 83 3PY 0.89051 -0.27099 0.22814 -0.05491 0.85302 84 3PZ 0.87884 0.25902 -0.11885 0.10318 0.71378 85 4XX -0.03024 0.14004 -0.13999 0.11087 0.06589 86 4YY 0.09541 0.08816 0.02233 0.08174 -0.08106 87 4ZZ -0.08291 -0.20220 0.11821 -0.20337 -0.06396 88 4XY 0.12439 -0.23720 -0.00293 0.09061 -0.24490 89 4XZ -0.00257 0.10838 -0.06053 -0.02859 -0.04450 90 4YZ -0.00335 -0.37916 -0.15699 0.07201 -0.10735 91 7 H 1S 0.03774 -0.14762 -0.00223 0.00472 0.14196 92 2S 0.31986 0.01122 -0.02047 -0.00992 0.26890 93 8 H 1S 0.11168 -0.26527 -0.08070 -0.04853 0.15775 94 2S 0.17881 -0.25924 -0.03966 -0.10179 0.29125 95 9 H 1S -0.11326 0.26563 -0.08108 -0.04906 -0.15772 96 2S -0.17955 0.25932 -0.03986 -0.10359 -0.29060 97 10 H 1S -0.03736 0.14754 -0.00221 0.00337 -0.14192 98 2S -0.31966 -0.01128 -0.02041 -0.01163 -0.26884 99 11 O 1S 0.01491 -0.00023 -0.00545 -0.00480 0.00876 100 2S 0.28875 -0.09971 -0.11892 -0.10633 0.18972 101 2PX 0.00294 0.01571 0.02580 -0.00147 0.01072 102 2PY -0.05657 -0.09405 -0.00300 0.00744 0.02745 103 2PZ -0.02166 -0.06279 -0.02206 0.02312 0.01888 104 3S -1.48712 0.14802 0.51509 0.47360 -0.79336 105 3PX -0.09292 -0.10616 -0.08185 0.06531 -0.04335 106 3PY -0.23047 0.05793 0.13348 0.11841 -0.15836 107 3PZ 0.05228 0.21474 0.12105 -0.07720 -0.07869 108 4XX -0.08161 0.03931 0.12361 -0.17792 0.02491 109 4YY 0.14811 -0.01621 -0.03797 -0.03773 0.05718 110 4ZZ 0.02111 -0.08722 -0.12789 0.18627 0.00632 111 4XY -0.10426 -0.07249 -0.11094 0.05918 -0.03182 112 4XZ -0.07668 0.01199 0.02297 -0.00232 0.04446 113 4YZ 0.08675 0.21852 0.13247 -0.10712 -0.02924 114 12 O 1S -0.01492 0.00023 -0.00545 -0.00485 -0.00873 115 2S -0.29004 0.09986 -0.11894 -0.10758 -0.18909 116 2PX -0.00322 -0.01556 0.02580 -0.00148 -0.01079 117 2PY -0.05622 -0.09412 0.00306 -0.00721 0.02755 118 2PZ 0.02183 0.06271 -0.02211 0.02297 -0.01898 119 3S 1.49105 -0.14839 0.51507 0.47859 0.79034 120 3PX 0.09451 0.10572 -0.08173 0.06516 0.04335 121 3PY -0.23132 0.05810 -0.13353 -0.11943 -0.15754 122 3PZ -0.05333 -0.21430 0.12120 -0.07634 0.07889 123 4XX 0.08185 -0.03905 0.12360 -0.17831 -0.02348 124 4YY -0.14878 0.01619 -0.03785 -0.03808 -0.05699 125 4ZZ -0.02108 0.08703 -0.12801 0.18642 -0.00778 126 4XY -0.10534 -0.07217 0.11099 -0.05889 -0.03164 127 4XZ 0.07693 -0.01215 0.02316 -0.00287 -0.04437 128 4YZ 0.08784 0.21814 -0.13257 0.10660 -0.02982 129 13 C 1S 0.00009 -0.00003 -0.02354 -0.03307 0.00012 130 2S -0.00072 -0.00009 -0.19829 0.24501 -0.00098 131 2PX 0.00071 -0.00006 0.02145 -0.13327 0.00056 132 2PY -0.14251 -0.04414 0.00003 -0.00028 -0.08622 133 2PZ -0.00043 0.00007 0.06830 0.11342 -0.00046 134 3S -0.00570 0.00164 1.13172 0.86748 -0.00337 135 3PX -0.00035 -0.00028 -0.51074 -0.09390 0.00045 136 3PY -0.23762 -0.02362 -0.00011 -0.00079 -0.20889 137 3PZ -0.00243 0.00049 0.12987 0.19993 -0.00099 138 4XX -0.00033 0.00019 0.22119 -0.03005 -0.00009 139 4YY 0.00070 -0.00020 -0.10393 -0.12613 0.00061 140 4ZZ -0.00020 0.00002 -0.08488 0.04344 -0.00009 141 4XY -0.06414 -0.07605 0.00011 0.00063 0.18757 142 4XZ -0.00045 0.00003 -0.11953 -0.00026 0.00011 143 4YZ -0.13102 -0.03850 -0.00003 0.00020 0.06536 144 14 H 1S 0.00104 -0.00020 -0.09268 -0.05398 0.00023 145 2S 0.00072 -0.00004 0.18189 0.01362 -0.00001 146 15 H 1S 0.00012 -0.00008 -0.03312 -0.08451 0.00023 147 2S -0.00030 0.00001 -0.14293 0.02543 -0.00013 148 16 C 1S 0.03522 0.01240 0.01521 0.00819 0.05404 149 2S 0.43081 0.16796 0.06311 0.15334 0.74615 150 2PX 0.01954 -0.00149 0.00674 0.01313 -0.09797 151 2PY -0.02124 0.02223 -0.03370 0.04546 0.11227 152 2PZ -0.18825 -0.02516 -0.04141 -0.04420 0.06157 153 3S -2.65452 -0.50050 -0.76832 -0.69290 -1.70027 154 3PX 0.38309 0.11392 -0.17343 -0.30157 0.31016 155 3PY -1.12590 -0.10975 -0.39527 -0.62518 -0.91279 156 3PZ -0.31652 0.09417 -0.02204 -0.09855 -0.36128 157 4XX -0.28564 0.00968 0.32768 0.21879 0.28762 158 4YY 0.05003 -0.02511 0.00660 -0.06357 -0.08430 159 4ZZ 0.14188 0.00163 -0.32084 -0.18079 -0.23417 160 4XY -0.01879 -0.05282 -0.15553 -0.33214 -0.00775 161 4XZ -0.29987 -0.04977 -0.25638 -0.14934 -0.17306 162 4YZ 0.11071 0.00372 0.14279 0.06863 -0.03908 163 17 H 1S -0.07059 0.05057 -0.06995 -0.09683 0.04343 164 2S -0.18070 -0.01981 -0.02828 -0.13376 -0.25123 165 18 C 1S -0.03119 -0.00351 -0.00995 -0.01422 0.01157 166 2S -0.62615 -0.07522 -0.05217 -0.15610 0.33032 167 2PX -0.03420 0.03022 0.06365 0.03546 0.03275 168 2PY 0.00146 0.01813 -0.08127 -0.10433 -0.02829 169 2PZ 0.16958 0.00760 -0.05242 0.01367 -0.15370 170 3S 3.44156 0.32935 0.28270 0.35373 0.04645 171 3PX 0.47695 -0.06312 0.13583 0.19942 0.26299 172 3PY 1.13075 0.02017 0.08127 0.24681 -0.39416 173 3PZ -1.73375 -0.05771 -0.16899 -0.32814 0.04186 174 4XX -0.11035 0.01975 0.03184 -0.01694 0.24369 175 4YY -0.04003 0.00523 0.08648 0.09694 -0.03679 176 4ZZ 0.15718 -0.01946 -0.14592 -0.11230 -0.23046 177 4XY 0.02293 0.06495 -0.15057 -0.09057 0.16422 178 4XZ -0.21379 -0.02578 -0.26663 -0.25829 -0.27090 179 4YZ 0.09432 0.06669 0.09188 0.00566 0.05869 180 19 H 1S 0.03882 -0.01633 0.05104 0.02235 -0.02062 181 2S 0.48520 -0.02410 0.03801 0.14618 -0.08718 182 20 C 1S -0.03537 -0.01236 0.01525 0.00785 -0.05411 183 2S -0.43663 -0.16680 0.06357 0.14871 -0.74763 184 2PX -0.01908 0.00137 0.00666 0.01375 0.09788 185 2PY -0.01999 0.02203 0.03367 -0.04477 0.11273 186 2PZ 0.18799 0.02521 -0.04140 -0.04462 -0.06129 187 3S 2.66868 0.49717 -0.76927 -0.68252 1.70638 188 3PX -0.38323 -0.11365 -0.17337 -0.30382 -0.30771 189 3PY -1.13535 -0.10790 0.39539 0.61990 -0.91837 190 3PZ 0.31935 -0.09473 -0.02177 -0.09648 0.36226 191 4XX 0.28684 -0.00967 0.32758 0.21658 -0.28907 192 4YY -0.05029 0.02515 0.00671 -0.06268 0.08489 193 4ZZ -0.14189 -0.00184 -0.32089 -0.17931 0.23528 194 4XY -0.01992 -0.05261 0.15581 0.33225 -0.01037 195 4XZ 0.29907 0.04974 -0.25623 -0.14801 0.17401 196 4YZ 0.11080 0.00368 -0.14288 -0.06897 -0.03851 197 21 H 1S 0.07144 -0.05074 -0.06985 -0.09729 -0.04267 198 2S 0.18304 0.01940 -0.02828 -0.13233 0.25248 199 22 C 1S 0.03134 0.00348 -0.00994 -0.01430 -0.01145 200 2S 0.62671 0.07514 -0.05205 -0.15822 -0.32915 201 2PX 0.03427 -0.03020 0.06365 0.03512 -0.03294 202 2PY 0.00089 0.01827 0.08131 0.10421 -0.02909 203 2PZ -0.16939 -0.00770 -0.05249 0.01463 0.15357 204 3S -3.44890 -0.32785 0.28247 0.35446 -0.04980 205 3PX -0.47838 0.06329 0.13559 0.19800 -0.26419 206 3PY 1.13131 0.01999 -0.08078 -0.24967 -0.39251 207 3PZ 1.73776 0.05695 -0.16881 -0.32913 -0.03910 208 4XX 0.11153 -0.01998 0.03169 -0.01867 -0.24354 209 4YY 0.03964 -0.00505 0.08665 0.09723 0.03630 210 4ZZ -0.15744 0.01943 -0.14593 -0.11071 0.23108 211 4XY 0.02361 0.06492 0.15062 0.09187 0.16342 212 4XZ 0.21377 0.02568 -0.26646 -0.25636 0.27260 213 4YZ 0.09304 0.06687 -0.09203 -0.00522 0.05869 214 23 H 1S -0.03770 0.01620 0.05102 0.02257 0.02059 215 2S -0.48641 0.02432 0.03783 0.14695 0.08598 176 177 178 179 180 V V V V V Eigenvalues -- 2.30756 2.32018 2.34415 2.36828 2.40390 1 1 C 1S 0.00944 0.05374 -0.00550 -0.00880 0.00620 2 2S 0.36330 0.38731 0.04852 0.03638 0.24926 3 2PX 0.02969 -0.03468 0.02428 0.04175 0.06540 4 2PY 0.23740 0.20922 -0.02547 -0.02433 0.08546 5 2PZ -0.05138 0.05371 -0.04840 -0.00704 -0.00524 6 3S -0.76129 -2.03165 0.80530 0.15667 -0.82309 7 3PX -0.44075 -0.50285 0.20507 0.03556 -0.40321 8 3PY 1.00776 0.54189 0.32849 -0.02790 0.51551 9 3PZ 0.58353 0.61695 -0.32180 -0.06983 0.65857 10 4XX -0.10354 0.14367 0.00225 0.00077 -0.17868 11 4YY 0.26901 -0.19021 -0.02022 -0.00437 0.12210 12 4ZZ -0.14208 0.12726 -0.00503 -0.03519 0.04336 13 4XY -0.17386 0.17665 -0.15610 -0.03237 0.34106 14 4XZ 0.26441 0.33966 0.02633 -0.05826 0.11796 15 4YZ -0.00864 -0.19857 -0.14988 0.00140 0.27613 16 2 C 1S 0.00055 -0.00273 0.01127 0.00894 -0.00669 17 2S 0.18344 0.02961 0.31683 0.09156 -0.10081 18 2PX -0.05411 -0.16855 -0.00225 0.02568 -0.02227 19 2PY 0.05738 -0.00148 0.07667 -0.01768 0.05106 20 2PZ 0.02556 0.17223 0.02445 0.01356 0.01342 21 3S -0.45425 -0.20413 -0.99200 -0.28425 0.44427 22 3PX -1.52087 -1.75662 -0.25648 0.00980 -0.82860 23 3PY -0.23281 0.04119 -0.95878 -0.14710 0.15135 24 3PZ 1.29076 1.68133 -0.09775 -0.05681 0.75161 25 4XX -0.12980 -0.17504 -0.10639 0.07739 -0.13705 26 4YY -0.02490 0.02112 -0.01799 -0.00419 0.01093 27 4ZZ 0.08784 0.13009 0.04439 -0.07934 0.13684 28 4XY 0.10413 -0.11672 -0.06284 -0.04943 0.14130 29 4XZ -0.02291 -0.02050 0.06067 0.07190 0.07170 30 4YZ -0.08085 0.16520 -0.05178 -0.04903 0.03151 31 3 C 1S -0.00397 -0.04894 -0.03485 -0.01438 -0.03090 32 2S -0.41080 -0.49269 -0.24141 0.09629 -0.51337 33 2PX -0.01505 -0.04813 -0.05851 0.00601 -0.02634 34 2PY -0.17063 -0.18688 0.03396 0.00430 -0.08508 35 2PZ -0.06460 0.02150 0.01333 0.03304 0.00033 36 3S 1.31120 2.27303 2.01757 0.11917 1.70840 37 3PX -0.74086 -0.58537 -0.07868 -0.01157 0.42639 38 3PY -1.03621 -0.58978 0.48356 -0.01908 -0.34236 39 3PZ 0.61027 0.70843 0.51885 0.03633 0.23602 40 4XX -0.01198 -0.06132 -0.03072 0.07180 0.00276 41 4YY -0.25661 0.14285 0.03312 -0.08353 -0.14849 42 4ZZ 0.30834 -0.08887 -0.01340 -0.06516 0.18261 43 4XY -0.20327 0.24830 -0.19811 0.01119 0.22341 44 4XZ -0.19798 -0.17409 0.02803 0.00625 -0.00824 45 4YZ -0.10058 -0.25595 -0.20060 0.00134 0.28386 46 4 C 1S 0.00406 -0.04896 0.03483 -0.01438 0.03089 47 2S 0.41133 -0.49262 0.24130 0.09667 0.51334 48 2PX 0.01530 -0.04822 0.05849 0.00599 0.02634 49 2PY -0.17087 0.18649 0.03398 -0.00435 -0.08500 50 2PZ 0.06450 0.02153 -0.01332 0.03311 -0.00030 51 3S -1.31537 2.27450 -2.01672 0.11790 -1.70820 52 3PX 0.74284 -0.58544 0.07843 -0.01154 -0.42624 53 3PY -1.03706 0.58603 0.48412 0.01970 -0.34257 54 3PZ -0.61130 0.70869 -0.51860 0.03579 -0.23596 55 4XX 0.01182 -0.06074 0.03085 0.07168 -0.00300 56 4YY 0.25637 0.14304 -0.03330 -0.08344 0.14869 57 4ZZ -0.30786 -0.08959 0.01343 -0.06522 -0.18258 58 4XY -0.20268 -0.24845 -0.19811 -0.01110 0.22334 59 4XZ 0.19833 -0.17384 -0.02795 0.00613 0.00802 60 4YZ -0.10057 0.25601 -0.20059 -0.00140 0.28402 61 5 C 1S -0.00056 -0.00272 -0.01128 0.00894 0.00672 62 2S -0.18354 0.02953 -0.31681 0.09156 0.10087 63 2PX 0.05433 -0.16848 0.00216 0.02568 0.02226 64 2PY 0.05737 0.00144 0.07665 0.01767 0.05114 65 2PZ -0.02587 0.17219 -0.02439 0.01356 -0.01347 66 3S 0.45501 -0.20510 0.99198 -0.28388 -0.44503 67 3PX 1.52451 -1.75416 0.25640 0.00967 0.82860 68 3PY -0.23138 -0.04101 -0.95906 0.14669 0.15238 69 3PZ -1.29411 1.67893 0.09843 -0.05665 -0.75169 70 4XX 0.12914 -0.17508 0.10635 0.07738 0.13683 71 4YY 0.02502 0.02128 0.01792 -0.00414 -0.01070 72 4ZZ -0.08729 0.13002 -0.04431 -0.07936 -0.13680 73 4XY 0.10387 0.11680 -0.06272 0.04954 0.14141 74 4XZ 0.02293 -0.02051 -0.06071 0.07198 -0.07148 75 4YZ -0.08048 -0.16528 -0.05189 0.04907 0.03155 76 6 C 1S -0.00953 0.05371 0.00552 -0.00880 -0.00622 77 2S -0.36381 0.38646 -0.04834 0.03646 -0.24941 78 2PX -0.02983 -0.03463 -0.02429 0.04175 -0.06542 79 2PY 0.23767 -0.20889 -0.02560 0.02441 0.08555 80 2PZ 0.05121 0.05379 0.04843 -0.00705 0.00517 81 3S 0.76500 -2.02806 -0.80628 0.15598 0.82364 82 3PX 0.44085 -0.50094 -0.20556 0.03530 0.40309 83 3PY 1.00920 -0.54142 0.32815 0.02815 0.51576 84 3PZ -0.58463 0.61495 0.32216 -0.06956 -0.65882 85 4XX 0.10328 0.14404 -0.00199 0.00078 0.17817 86 4YY -0.26904 -0.19083 0.01996 -0.00440 -0.12162 87 4ZZ 0.14224 0.12756 0.00505 -0.03521 -0.04335 88 4XY -0.17345 -0.17648 -0.15622 0.03237 0.34138 89 4XZ -0.26490 0.33913 -0.02607 -0.05828 -0.11825 90 4YZ -0.00933 0.19886 -0.14980 -0.00140 0.27591 91 7 H 1S 0.22896 0.05798 0.04167 -0.01297 0.04054 92 2S -0.03396 -0.06346 0.09597 0.01237 -0.07904 93 8 H 1S -0.19829 0.06097 0.00307 -0.00278 -0.31877 94 2S 0.01324 0.01972 0.05075 0.03374 -0.14507 95 9 H 1S 0.19818 0.06160 -0.00318 -0.00287 0.31879 96 2S -0.01312 0.02005 -0.05076 0.03361 0.14505 97 10 H 1S -0.22907 0.05777 -0.04166 -0.01302 -0.04049 98 2S 0.03404 -0.06306 -0.09601 0.01227 0.07911 99 11 O 1S 0.00118 -0.00057 0.00562 0.00344 -0.00594 100 2S 0.01007 -0.03531 0.09958 0.00904 -0.01082 101 2PX -0.05541 -0.07444 -0.01494 -0.00911 -0.01941 102 2PY -0.00269 -0.01719 0.00403 0.00572 -0.00992 103 2PZ 0.02359 0.07546 -0.01096 -0.00577 0.01765 104 3S -0.08703 0.07348 -0.48390 -0.06051 0.04716 105 3PX 0.35917 0.41799 0.02263 -0.00383 0.19979 106 3PY -0.01285 0.01857 -0.06585 -0.01157 0.00684 107 3PZ -0.24614 -0.39637 0.01113 0.00208 -0.13012 108 4XX 0.12884 0.09109 0.01633 -0.01251 0.03702 109 4YY -0.02972 -0.02877 0.04606 -0.00071 0.00616 110 4ZZ -0.09225 -0.07797 -0.01711 0.04270 -0.09648 111 4XY 0.34980 0.26363 -0.02949 -0.03920 0.20441 112 4XZ 0.02065 -0.00170 -0.02625 -0.02515 -0.00281 113 4YZ -0.21940 -0.23354 0.00880 -0.04307 -0.03554 114 12 O 1S -0.00117 -0.00056 -0.00562 0.00344 0.00594 115 2S -0.00994 -0.03512 -0.09968 0.00902 0.01083 116 2PX 0.05554 -0.07436 0.01490 -0.00910 0.01941 117 2PY -0.00267 0.01712 0.00404 -0.00574 -0.00988 118 2PZ -0.02377 0.07544 0.01098 -0.00577 -0.01767 119 3S 0.08655 0.07263 0.48430 -0.06032 -0.04727 120 3PX -0.35999 0.41733 -0.02238 -0.00383 -0.19983 121 3PY -0.01298 -0.01814 -0.06596 0.01154 0.00669 122 3PZ 0.24698 -0.39602 -0.01124 0.00208 0.13014 123 4XX -0.12910 0.09123 -0.01624 -0.01257 -0.03725 124 4YY 0.03025 -0.02896 -0.04613 -0.00066 -0.00591 125 4ZZ 0.09202 -0.07783 0.01706 0.04270 0.09645 126 4XY 0.35026 -0.26282 -0.02955 0.03919 0.20441 127 4XZ -0.02046 -0.00189 0.02629 -0.02521 0.00277 128 4YZ -0.22002 0.23324 0.00889 0.04305 -0.03553 129 13 C 1S 0.00006 -0.03828 -0.00001 0.00707 0.00001 130 2S 0.00001 -0.17227 0.00003 0.07688 -0.00001 131 2PX 0.00013 -0.06352 0.00000 -0.00180 0.00007 132 2PY 0.02722 0.00003 -0.04454 -0.00007 -0.10524 133 2PZ -0.00012 0.05719 0.00004 0.08060 -0.00005 134 3S -0.00227 1.95245 0.00042 -0.04840 -0.00036 135 3PX 0.00053 -0.49009 0.00002 -0.01291 0.00025 136 3PY -0.05965 -0.00020 -0.26409 0.00005 -0.36475 137 3PZ -0.00072 0.67146 0.00007 0.06065 -0.00012 138 4XX -0.00010 0.17552 0.00012 0.87409 -0.00010 139 4YY 0.00017 -0.12532 -0.00001 -0.12440 0.00009 140 4ZZ 0.00004 -0.07257 -0.00013 -0.74742 0.00003 141 4XY -0.05746 -0.00002 0.26310 0.00037 0.19857 142 4XZ 0.00003 -0.02510 0.00004 0.00074 0.00010 143 4YZ -0.08243 -0.00006 0.07942 0.00005 0.07862 144 14 H 1S 0.00022 -0.19875 -0.00018 -0.41028 -0.00003 145 2S -0.00003 0.02021 0.00005 0.15241 0.00000 146 15 H 1S 0.00009 -0.03943 0.00007 0.48680 -0.00001 147 2S -0.00018 0.15539 -0.00005 -0.17512 0.00004 148 16 C 1S -0.01039 0.02136 0.02426 0.00720 0.05014 149 2S -0.27511 0.36923 0.34645 0.12701 0.62389 150 2PX 0.05898 -0.00010 -0.03713 0.01947 -0.04693 151 2PY -0.09739 0.07455 0.02839 0.01061 0.10153 152 2PZ -0.06990 0.01229 -0.01600 -0.01156 -0.04093 153 3S 0.15923 -1.43812 -1.24699 -0.60166 -1.75952 154 3PX -0.04850 -0.07690 0.35528 0.19609 0.26711 155 3PY 0.29862 -1.01185 -0.41344 -0.12133 -0.93963 156 3PZ 0.16226 -0.08276 0.07104 -0.13811 0.03697 157 4XX -0.24814 0.07585 0.02894 0.14734 0.27156 158 4YY 0.14043 0.02601 -0.16941 -0.21527 -0.14182 159 4ZZ 0.11659 -0.16231 0.08198 0.03121 -0.18903 160 4XY -0.05939 -0.09695 0.23756 0.31341 0.06124 161 4XZ -0.05066 -0.03263 0.02899 0.04687 -0.15094 162 4YZ 0.03334 0.04999 0.14841 0.14095 0.02213 163 17 H 1S -0.05606 -0.09155 0.13631 0.14889 0.09225 164 2S 0.14862 -0.23772 -0.08477 -0.04620 -0.25905 165 18 C 1S -0.01184 -0.00717 0.00693 -0.01305 -0.00219 166 2S -0.31591 -0.00024 -0.21960 -0.30854 0.12790 167 2PX 0.01493 0.05709 -0.03077 -0.01994 0.01215 168 2PY 0.00443 -0.06428 -0.00639 -0.08526 -0.01586 169 2PZ 0.11125 -0.08401 0.02642 0.07599 -0.10786 170 3S 0.62367 0.49828 0.71978 0.55327 0.62767 171 3PX -0.03875 0.04074 -0.34305 0.00764 0.03681 172 3PY 0.29814 0.11985 0.03563 0.06604 0.06376 173 3PZ -0.22408 -0.21391 -0.54669 -0.37220 -0.24242 174 4XX -0.11281 -0.03214 0.01338 -0.23607 0.07839 175 4YY 0.01233 0.04155 -0.07476 0.12236 -0.03936 176 4ZZ 0.12740 -0.01751 0.11973 0.12617 -0.06906 177 4XY 0.09265 -0.01579 -0.60301 0.01791 -0.22676 178 4XZ -0.03368 -0.10174 0.22448 0.05054 -0.15823 179 4YZ 0.05032 -0.05548 -0.13012 -0.02825 -0.02312 180 19 H 1S -0.05367 -0.05033 0.07415 -0.07005 0.00948 181 2S 0.08919 0.04335 0.01789 0.11851 0.00414 182 20 C 1S 0.01035 0.02142 -0.02426 0.00718 -0.05016 183 2S 0.27435 0.37019 -0.34612 0.12659 -0.62401 184 2PX -0.05895 -0.00025 0.03714 0.01950 0.04691 185 2PY -0.09727 -0.07473 0.02834 -0.01054 0.10153 186 2PZ 0.06991 0.01240 0.01597 -0.01156 0.04096 187 3S -0.15608 -1.43986 1.24610 -0.60061 1.76031 188 3PX 0.04894 -0.07706 -0.35498 0.19575 -0.26657 189 3PY 0.29629 1.01295 -0.41314 0.12052 -0.94021 190 3PZ -0.16201 -0.08318 -0.07114 -0.13766 -0.03710 191 4XX 0.24781 0.07622 -0.02908 0.14768 -0.27172 192 4YY -0.14043 0.02589 0.16955 -0.21570 0.14203 193 4ZZ -0.11611 -0.16263 -0.08207 0.03134 0.18899 194 4XY -0.05975 0.09693 0.23742 -0.31329 0.06083 195 4XZ 0.05084 -0.03268 -0.02918 0.04700 0.15086 196 4YZ 0.03354 -0.04992 0.14837 -0.14104 0.02219 197 21 H 1S 0.05632 -0.09149 -0.13636 0.14917 -0.09228 198 2S -0.14810 -0.23806 0.08470 -0.04595 0.25914 199 22 C 1S 0.01186 -0.00714 -0.00694 -0.01304 0.00220 200 2S 0.31601 0.00033 0.21939 -0.30860 -0.12779 201 2PX -0.01506 0.05702 0.03083 -0.02003 -0.01215 202 2PY 0.00422 0.06437 -0.00628 0.08521 -0.01594 203 2PZ -0.11113 -0.08425 -0.02642 0.07609 0.10785 204 3S -0.62472 0.49789 -0.71932 0.55209 -0.62805 205 3PX 0.03822 0.04090 0.34305 0.00740 -0.03685 206 3PY 0.29864 -0.11915 0.03558 -0.06560 0.06381 207 3PZ 0.22483 -0.21389 0.54641 -0.37189 0.24269 208 4XX 0.11277 -0.03184 -0.01282 -0.23610 -0.07803 209 4YY -0.01240 0.04148 0.07426 0.12230 0.03910 210 4ZZ -0.12721 -0.01778 -0.11977 0.12625 0.06895 211 4XY 0.09259 0.01620 -0.60301 -0.01790 -0.22687 212 4XZ 0.03415 -0.10191 -0.22459 0.05071 0.15822 213 4YZ 0.05030 0.05558 -0.13017 0.02828 -0.02309 214 23 H 1S 0.05369 -0.05026 -0.07418 -0.06997 -0.00942 215 2S -0.08945 0.04321 -0.01781 0.11838 -0.00423 181 182 183 184 185 V V V V V Eigenvalues -- 2.45222 2.47129 2.50715 2.57245 2.57979 1 1 C 1S 0.00212 -0.00380 0.04033 0.05056 -0.01707 2 2S 0.10000 0.00657 0.14974 0.14282 -0.16924 3 2PX 0.01985 -0.01628 -0.09527 -0.01726 0.03264 4 2PY 0.02914 -0.00981 0.17189 -0.16773 -0.06087 5 2PZ -0.00130 0.00588 0.11532 0.01507 0.02513 6 3S 0.05935 -0.85847 -1.03703 -1.84312 1.18051 7 3PX -0.07439 -0.21074 -0.45338 -0.34251 0.50682 8 3PY -0.12521 -0.48042 -0.05786 -0.72494 -0.11015 9 3PZ 0.03723 0.22142 0.50641 0.42447 -0.60680 10 4XX -0.01161 0.10027 0.06364 0.11941 -0.08724 11 4YY -0.03397 -0.03262 -0.01788 -0.31763 -0.07225 12 4ZZ 0.01752 -0.10376 -0.01574 0.17731 0.14913 13 4XY 0.02047 -0.12272 0.11139 -0.14472 0.30428 14 4XZ 0.03423 -0.10574 0.30072 0.32956 -0.10832 15 4YZ -0.01641 -0.08664 -0.12413 0.19318 0.22241 16 2 C 1S -0.01104 0.00829 -0.10792 -0.00707 0.01681 17 2S 0.03295 0.07625 -0.43953 0.10148 0.17655 18 2PX -0.01131 0.08111 0.02494 0.00138 0.05920 19 2PY 0.01936 -0.06572 0.13914 0.04424 -0.01417 20 2PZ 0.01645 -0.02726 -0.02046 -0.04522 0.00270 21 3S 0.14567 0.24862 2.80298 -0.05438 -0.61364 22 3PX 0.17366 0.06484 0.42902 -0.33006 0.56561 23 3PY 0.03165 1.12301 1.38511 -0.06260 -0.43587 24 3PZ -0.20934 0.18190 -0.16183 0.15582 -0.57136 25 4XX -0.03712 0.15412 -0.15247 -0.05768 -0.29246 26 4YY -0.00386 -0.02745 0.19743 -0.07027 -0.01193 27 4ZZ -0.00159 -0.11271 -0.18685 0.08946 0.29616 28 4XY 0.03145 -0.09007 0.15195 -0.05286 -0.11482 29 4XZ -0.05096 0.06986 -0.60487 -0.00644 0.05100 30 4YZ 0.02538 -0.04315 0.15599 0.35104 -0.15850 31 3 C 1S 0.00764 0.04014 0.04595 -0.05721 -0.00263 32 2S 0.09343 0.64916 0.26039 -0.19493 0.27896 33 2PX 0.08377 -0.01852 0.11284 -0.02967 -0.00682 34 2PY -0.00748 -0.04160 0.20896 0.21442 0.04672 35 2PZ -0.00023 0.09569 -0.09321 -0.01324 0.06205 36 3S -0.36132 -3.09653 -1.69828 2.17311 -0.28756 37 3PX -0.05467 -0.05826 0.72285 -0.34271 0.04907 38 3PY 0.15609 -1.30780 0.15684 1.01614 0.33898 39 3PZ 0.07314 -1.15814 -0.67193 0.49478 -0.30891 40 4XX -0.05500 -0.08032 0.01873 -0.22991 -0.24659 41 4YY 0.01841 -0.01776 -0.04725 0.45230 0.09397 42 4ZZ 0.04293 -0.00491 0.03399 -0.18285 0.07639 43 4XY -0.02389 0.02626 -0.17808 -0.23763 -0.25501 44 4XZ 0.06910 -0.15589 0.35813 -0.21047 -0.04141 45 4YZ -0.00656 0.02054 0.16677 0.27320 -0.28896 46 4 C 1S 0.00768 -0.04015 0.04596 0.05720 0.00262 47 2S 0.09385 -0.64935 0.26045 0.19493 -0.27914 48 2PX 0.08381 0.01855 0.11298 0.02952 0.00682 49 2PY 0.00759 -0.04151 -0.20884 0.21445 0.04664 50 2PZ -0.00019 -0.09571 -0.09322 0.01330 -0.06209 51 3S -0.36363 3.09695 -1.69861 -2.17280 0.28825 52 3PX -0.05450 0.05892 0.72295 0.34218 -0.04948 53 3PY -0.15547 -1.30796 -0.15602 1.01651 0.33906 54 3PZ 0.07254 1.15815 -0.67187 -0.49457 0.30927 55 4XX -0.05502 0.08034 0.01852 0.23015 0.24700 56 4YY 0.01834 0.01785 -0.04712 -0.45263 -0.09435 57 4ZZ 0.04299 0.00482 0.03403 0.18292 -0.07635 58 4XY 0.02380 0.02625 0.17815 -0.23725 -0.25474 59 4XZ 0.06910 0.15589 0.35826 0.21021 0.04140 60 4YZ 0.00664 0.02070 -0.16642 0.27319 -0.28902 61 5 C 1S -0.01104 -0.00830 -0.10792 0.00708 -0.01676 62 2S 0.03288 -0.07626 -0.43946 -0.10139 -0.17629 63 2PX -0.01126 -0.08109 0.02503 -0.00143 -0.05929 64 2PY -0.01932 -0.06580 -0.13912 0.04425 -0.01416 65 2PZ 0.01643 0.02730 -0.02043 0.04519 -0.00270 66 3S 0.14614 -0.24842 2.80292 0.05397 0.61294 67 3PX 0.17402 -0.06598 0.42991 0.32998 -0.56567 68 3PY -0.03216 1.12286 -1.38487 -0.06223 -0.43583 69 3PZ -0.20945 -0.18158 -0.16179 -0.15580 0.57131 70 4XX -0.03700 -0.15397 -0.15214 0.05778 0.29291 71 4YY -0.00390 0.02730 0.19723 0.07016 0.01124 72 4ZZ -0.00166 0.11271 -0.18705 -0.08944 -0.29584 73 4XY -0.03148 -0.09021 -0.15221 -0.05298 -0.11469 74 4XZ -0.05096 -0.06990 -0.60476 0.00632 -0.05090 75 4YZ -0.02538 -0.04329 -0.15642 0.35093 -0.15873 76 6 C 1S 0.00212 0.00382 0.04034 -0.05057 0.01708 77 2S 0.09997 -0.00645 0.14981 -0.14283 0.16917 78 2PX 0.01985 0.01629 -0.09516 0.01738 -0.03264 79 2PY -0.02914 -0.00987 -0.17196 -0.16768 -0.06098 80 2PZ -0.00129 -0.00584 0.11529 -0.01510 -0.02508 81 3S 0.05908 0.85796 -1.03730 1.84323 -1.18030 82 3PX -0.07456 0.21090 -0.45355 0.34307 -0.50662 83 3PY 0.12546 -0.48034 0.05765 -0.72472 -0.11046 84 3PZ 0.03725 -0.22126 0.50647 -0.42456 0.60671 85 4XX -0.01157 -0.10009 0.06385 -0.11927 0.08697 86 4YY -0.03398 0.03242 -0.01803 0.31745 0.07245 87 4ZZ 0.01748 0.10380 -0.01583 -0.17731 -0.14898 88 4XY -0.02039 -0.12287 -0.11110 -0.14503 0.30419 89 4XZ 0.03413 0.10587 0.30062 -0.32973 0.10803 90 4YZ 0.01648 -0.08649 0.12454 0.19297 0.22263 91 7 H 1S -0.02238 -0.06608 0.01888 0.21584 -0.05100 92 2S -0.04912 -0.10140 -0.13869 -0.26734 0.15129 93 8 H 1S 0.07107 -0.06108 -0.01372 -0.17768 0.04514 94 2S 0.07836 -0.30177 -0.09135 0.29956 -0.07800 95 9 H 1S 0.07112 0.06116 -0.01369 0.17759 -0.04524 96 2S 0.07824 0.30178 -0.09136 -0.29955 0.07810 97 10 H 1S -0.02243 0.06608 0.01888 -0.21583 0.05085 98 2S -0.04915 0.10136 -0.13874 0.26736 -0.15121 99 11 O 1S 0.00204 -0.00348 0.00991 0.00062 0.00072 100 2S -0.00899 -0.15346 -0.26551 0.00266 0.07310 101 2PX 0.00304 0.00246 -0.00771 -0.02383 0.01051 102 2PY -0.01061 0.02149 -0.12286 0.00846 0.02725 103 2PZ -0.00825 0.00256 -0.02583 0.01993 -0.01389 104 3S -0.01792 0.78877 0.44052 -0.02579 -0.19179 105 3PX -0.02868 0.01937 -0.03110 0.10779 -0.17545 106 3PY -0.00195 0.14256 0.11352 -0.01817 -0.03447 107 3PZ 0.05738 -0.01208 0.10379 0.05410 0.06550 108 4XX 0.01122 0.00598 -0.04100 0.02981 0.07435 109 4YY -0.00570 -0.07501 0.07977 -0.05086 0.02966 110 4ZZ 0.00522 0.06358 -0.01932 0.03024 -0.08845 111 4XY -0.00173 -0.04056 0.00184 -0.00161 -0.21477 112 4XZ 0.00972 -0.00593 0.12504 0.03854 -0.03824 113 4YZ 0.04962 -0.06646 0.08575 0.30452 -0.03151 114 12 O 1S 0.00204 0.00348 0.00991 -0.00062 -0.00072 115 2S -0.00906 0.15347 -0.26552 -0.00265 -0.07269 116 2PX 0.00304 -0.00249 -0.00781 0.02383 -0.01050 117 2PY 0.01061 0.02148 0.12286 0.00848 0.02699 118 2PZ -0.00826 -0.00254 -0.02584 -0.01992 0.01390 119 3S -0.01759 -0.78873 0.44056 0.02580 0.19115 120 3PX -0.02875 -0.01937 -0.03098 -0.10772 0.17561 121 3PY 0.00188 0.14254 -0.11355 -0.01825 -0.03399 122 3PZ 0.05742 0.01200 0.10381 -0.05407 -0.06542 123 4XX 0.01121 -0.00594 -0.04104 -0.02980 -0.07391 124 4YY -0.00572 0.07495 0.07976 0.05080 -0.03011 125 4ZZ 0.00525 -0.06358 -0.01926 -0.03021 0.08860 126 4XY 0.00179 -0.04072 -0.00197 -0.00180 -0.21504 127 4XZ 0.00977 0.00598 0.12511 -0.03876 0.03838 128 4YZ -0.04958 -0.06644 -0.08563 0.30438 -0.03168 129 13 C 1S -0.09300 0.00000 0.02145 0.00001 -0.00001 130 2S -0.26104 0.00004 0.10774 0.00007 -0.00001 131 2PX -0.17863 -0.00006 0.01191 0.00003 -0.00001 132 2PY -0.00010 0.16116 0.00002 -0.09765 -0.06678 133 2PZ 0.22703 0.00001 -0.01379 -0.00002 0.00001 134 3S 2.99334 -0.00011 -0.69738 -0.00030 0.00046 135 3PX -1.23267 0.00001 0.34293 0.00024 -0.00002 136 3PY -0.00057 0.06984 0.00014 -0.24737 -0.15344 137 3PZ 0.77286 0.00002 -0.28446 -0.00011 0.00015 138 4XX -0.35526 0.00004 0.12684 -0.00003 -0.00006 139 4YY 0.36115 -0.00006 -0.11001 0.00012 0.00008 140 4ZZ -0.08900 0.00001 -0.00438 -0.00009 -0.00005 141 4XY -0.00021 0.02460 0.00008 0.13864 0.07918 142 4XZ -0.69387 0.00005 0.05804 0.00015 0.00005 143 4YZ -0.00018 -0.14616 0.00003 -0.21837 -0.09731 144 14 H 1S 0.27200 -0.00002 -0.05676 -0.00003 -0.00003 145 2S 0.07532 -0.00001 -0.03814 -0.00002 -0.00002 146 15 H 1S -0.08050 -0.00001 0.06608 0.00005 0.00000 147 2S -0.02636 0.00004 -0.18615 -0.00002 0.00003 148 16 C 1S 0.07114 -0.04523 -0.01197 0.02195 0.02470 149 2S 0.15889 -1.02803 0.03218 -0.05497 -0.08139 150 2PX -0.09331 0.04166 -0.01069 0.01042 0.02879 151 2PY -0.16749 -0.20690 0.01479 -0.06437 -0.08423 152 2PZ 0.01456 -0.02589 -0.01040 -0.00360 -0.13863 153 3S -2.47899 2.20284 0.35667 -0.31517 -1.24092 154 3PX -0.08104 -0.75179 0.07645 -0.08842 -0.02629 155 3PY -1.12794 1.27748 0.29921 -0.21259 -0.39183 156 3PZ -0.16196 0.32183 0.01904 0.04416 -0.46602 157 4XX 0.36833 0.14198 -0.04018 0.03806 0.16776 158 4YY -0.34051 0.12014 -0.05296 -0.04160 -0.02800 159 4ZZ 0.04000 -0.08706 0.06736 0.03221 -0.08665 160 4XY -0.23367 -0.24246 0.05390 -0.08103 -0.05808 161 4XZ 0.42815 -0.31654 -0.07928 0.07365 0.15625 162 4YZ 0.06987 -0.01053 -0.05190 0.05933 -0.09968 163 17 H 1S 0.15593 -0.06597 0.04660 -0.00734 0.05135 164 2S -0.20351 0.40240 0.09890 -0.03783 -0.05438 165 18 C 1S -0.02722 -0.01245 0.00170 0.01084 -0.06497 166 2S -0.15837 -0.19577 -0.11635 -0.07736 -0.22423 167 2PX 0.01563 0.00497 -0.00564 0.02388 0.01172 168 2PY -0.10138 0.00170 -0.02978 -0.11536 0.16612 169 2PZ -0.08991 0.11541 0.06468 -0.01076 -0.04504 170 3S 1.04467 -0.75382 -0.10910 -0.09851 2.73388 171 3PX 0.08071 -0.01174 -0.00300 -0.01696 0.32037 172 3PY 0.08688 0.07146 0.10881 -0.14872 0.90861 173 3PZ -0.59454 0.45080 -0.02328 0.01437 -1.05931 174 4XX -0.28202 0.01915 -0.01662 0.07195 -0.44027 175 4YY 0.01375 0.04047 0.04824 -0.19600 0.31605 176 4ZZ 0.25186 -0.05151 -0.00788 0.13819 0.12185 177 4XY 0.03423 -0.34048 -0.01787 0.02352 0.05037 178 4XZ -0.00497 -0.44986 0.00678 -0.05317 -0.16739 179 4YZ 0.00282 -0.15140 -0.04849 0.04318 -0.00309 180 19 H 1S -0.08615 -0.11049 -0.00144 -0.02805 -0.10018 181 2S 0.12740 -0.00208 0.06443 -0.03471 0.33008 182 20 C 1S 0.07112 0.04523 -0.01198 -0.02195 -0.02468 183 2S 0.15858 1.02808 0.03212 0.05494 0.08157 184 2PX -0.09340 -0.04152 -0.01068 -0.01035 -0.02873 185 2PY 0.16749 -0.20702 -0.01478 -0.06439 -0.08430 186 2PZ 0.01456 0.02588 -0.01039 0.00355 0.13860 187 3S -2.47825 -2.20277 0.35668 0.31539 1.24015 188 3PX -0.08191 0.75117 0.07665 0.08861 0.02657 189 3PY 1.12752 1.27826 -0.29914 -0.21275 -0.39140 190 3PZ -0.16180 -0.32163 0.01898 -0.04419 0.46585 191 4XX 0.36797 -0.14176 -0.04019 -0.03799 -0.16770 192 4YY -0.34016 -0.12044 -0.05302 0.04155 0.02805 193 4ZZ 0.04004 0.08712 0.06743 -0.03222 0.08650 194 4XY 0.23412 -0.24262 -0.05388 -0.08116 -0.05814 195 4XZ 0.42841 0.31643 -0.07932 -0.07373 -0.15612 196 4YZ -0.06966 -0.01035 0.05177 0.05930 -0.09979 197 21 H 1S 0.15584 0.06598 0.04657 0.00736 -0.05139 198 2S -0.20337 -0.40260 0.09887 0.03788 0.05421 199 22 C 1S -0.02723 0.01245 0.00170 -0.01084 0.06496 200 2S -0.15842 0.19579 -0.11655 0.07725 0.22420 201 2PX 0.01555 -0.00500 -0.00566 -0.02380 -0.01180 202 2PY 0.10141 0.00167 0.02979 -0.11537 0.16614 203 2PZ -0.08987 -0.11536 0.06473 0.01076 0.04502 204 3S 1.04469 0.75388 -0.10868 0.09856 -2.73354 205 3PX 0.08075 0.01163 -0.00303 0.01702 -0.32087 206 3PY -0.08680 0.07154 -0.10896 -0.14868 0.90818 207 3PZ -0.59457 -0.45080 -0.02348 -0.01440 1.05924 208 4XX -0.28214 -0.01875 -0.01659 -0.07197 0.44018 209 4YY 0.01375 -0.04081 0.04819 0.19605 -0.31601 210 4ZZ 0.25198 0.05144 -0.00783 -0.13816 -0.12180 211 4XY -0.03463 -0.34058 0.01789 0.02332 0.05087 212 4XZ -0.00483 0.44996 0.00681 0.05315 0.16736 213 4YZ -0.00285 -0.15103 0.04853 0.04325 -0.00304 214 23 H 1S -0.08620 0.11043 -0.00143 0.02806 0.10017 215 2S 0.12745 0.00210 0.06446 0.03468 -0.33002 186 187 188 189 190 V V V V V Eigenvalues -- 2.59741 2.62873 2.62885 2.63411 2.65580 1 1 C 1S 0.00294 -0.02248 -0.02061 -0.00903 -0.01129 2 2S 0.05114 -0.34781 0.05763 0.02817 0.04100 3 2PX 0.02097 -0.02116 0.06572 0.02483 0.03402 4 2PY -0.01894 -0.08406 -0.15113 -0.09111 -0.06380 5 2PZ -0.00827 0.02150 -0.10457 -0.04190 -0.04594 6 3S -0.27051 1.26215 0.10755 0.60065 0.23240 7 3PX -0.09300 0.68378 -0.01861 0.25888 -0.01535 8 3PY 0.09143 -0.32201 -0.00828 -0.12358 -0.10800 9 3PZ 0.07892 -0.73504 0.01975 -0.39474 0.00381 10 4XX 0.04897 -0.08518 -0.18442 -0.02868 -0.09632 11 4YY 0.03656 -0.13417 0.16816 -0.15070 0.07841 12 4ZZ -0.10534 0.24738 -0.10710 0.09220 -0.05811 13 4XY -0.03487 0.16131 -0.12366 -0.19795 -0.05239 14 4XZ 0.07320 -0.22843 0.07716 -0.06589 0.03504 15 4YZ 0.03604 0.20981 0.18715 -0.02127 0.06879 16 2 C 1S -0.01315 0.03279 -0.00852 0.02244 -0.01453 17 2S -0.14183 0.02850 -0.14393 0.21510 -0.06267 18 2PX 0.09885 -0.00631 -0.00045 -0.05307 -0.00387 19 2PY 0.01442 -0.14454 0.00512 -0.00573 0.01708 20 2PZ 0.09065 -0.09551 -0.02745 -0.04055 -0.00819 21 3S 0.21986 -0.86085 -0.39371 -0.96051 0.19490 22 3PX 0.05234 0.54972 0.04780 -0.04606 0.30348 23 3PY 0.15691 -0.09617 0.36598 -0.86239 0.17101 24 3PZ 0.27550 -0.61065 0.00143 -0.32763 -0.32126 25 4XX -0.18909 -0.04976 -0.23461 0.12715 -0.07400 26 4YY 0.30928 -0.13584 0.44419 -0.14825 0.18888 27 4ZZ -0.12430 0.26698 -0.24356 -0.03043 -0.16070 28 4XY -0.42675 0.22724 0.16183 0.20074 0.12650 29 4XZ -0.08087 0.14703 0.37021 0.16046 0.12644 30 4YZ -0.44029 0.13717 0.10664 0.25590 0.09808 31 3 C 1S -0.00111 0.03656 -0.00764 -0.01349 -0.00241 32 2S -0.00067 0.33734 0.13829 -0.17834 0.14601 33 2PX 0.01295 -0.03817 -0.09557 -0.05174 -0.02279 34 2PY -0.00731 -0.06656 -0.13842 -0.06138 -0.06276 35 2PZ 0.01400 -0.00564 0.07381 0.01511 0.04790 36 3S 0.06156 -1.89448 -0.13028 1.28063 -0.50243 37 3PX 0.01504 -0.22898 0.03645 -0.21808 0.16269 38 3PY -0.09285 -0.42478 -0.02990 0.47734 0.26024 39 3PZ -0.04712 -0.22954 -0.12059 0.43602 -0.16900 40 4XX -0.13478 0.03648 -0.07100 0.21498 -0.00806 41 4YY 0.03996 -0.14600 0.17073 -0.10266 0.05177 42 4ZZ 0.08725 0.05399 -0.20002 -0.09051 -0.13252 43 4XY 0.02334 -0.10739 0.14695 0.00193 0.06554 44 4XZ 0.04834 -0.08636 0.07296 -0.07966 0.09654 45 4YZ -0.03673 -0.26274 -0.13546 0.02173 -0.02065 46 4 C 1S -0.00107 -0.03600 -0.00995 0.01349 -0.00244 47 2S -0.00058 -0.34565 0.11651 0.17825 0.14575 48 2PX 0.01300 0.04429 -0.09293 0.05185 -0.02280 49 2PY 0.00733 -0.07532 0.13369 -0.06149 0.06265 50 2PZ 0.01394 0.00086 0.07397 -0.01519 0.04789 51 3S 0.05985 1.89955 -0.01049 -1.28068 -0.50132 52 3PX 0.01542 0.22611 0.05160 0.21785 0.16342 53 3PY 0.09326 -0.42557 0.00344 0.47739 -0.26079 54 3PZ -0.04757 0.23695 -0.10634 -0.43580 -0.16904 55 4XX -0.13466 -0.03174 -0.07316 -0.21490 -0.00799 56 4YY 0.03988 0.13464 0.17976 0.10245 0.05189 57 4ZZ 0.08726 -0.04096 -0.20310 0.09073 -0.13263 58 4XY -0.02360 -0.09783 -0.15395 0.00187 -0.06562 59 4XZ 0.04853 0.08153 0.07846 0.07955 0.09666 60 4YZ 0.03660 -0.27081 0.11811 0.02161 0.02041 61 5 C 1S -0.01319 -0.03216 -0.01068 -0.02242 -0.01459 62 2S -0.14210 -0.01917 -0.14599 -0.21475 -0.06291 63 2PX 0.09886 0.00642 0.00000 0.05305 -0.00388 64 2PY -0.01441 -0.14389 -0.01449 -0.00567 -0.01728 65 2PZ 0.09066 0.09712 -0.02118 0.04053 -0.00814 66 3S 0.22131 0.88414 -0.33487 0.96062 0.19680 67 3PX 0.05254 -0.55190 0.01237 0.04671 0.30337 68 3PY -0.15769 -0.07255 -0.37338 -0.86175 -0.17127 69 3PZ 0.27563 0.60964 0.04159 0.32727 -0.32082 70 4XX -0.18950 0.06451 -0.23082 -0.12710 -0.07381 71 4YY 0.30990 0.10717 0.45208 0.14792 0.18883 72 4ZZ -0.12449 -0.25065 -0.26036 0.03071 -0.16091 73 4XY 0.42617 0.23727 -0.14733 0.20046 -0.12667 74 4XZ -0.08139 -0.17064 0.35977 -0.16102 0.12634 75 4YZ 0.44030 0.14372 -0.09720 0.25571 -0.09807 76 6 C 1S 0.00293 0.02376 -0.01909 0.00904 -0.01126 77 2S 0.05121 0.34341 0.08008 -0.02831 0.04144 78 2PX 0.02092 0.01694 0.06679 -0.02485 0.03399 79 2PY 0.01874 -0.09363 0.14528 -0.09125 0.06375 80 2PZ -0.00826 -0.01472 -0.10568 0.04200 -0.04594 81 3S -0.27077 -1.26665 0.02362 -0.60035 0.23031 82 3PX -0.09325 -0.68094 -0.06359 -0.25862 -0.01638 83 3PY -0.09187 -0.32249 -0.01254 -0.12373 0.10804 84 3PZ 0.07930 0.73221 0.06831 0.39457 0.00475 85 4XX 0.04885 0.09673 -0.17870 0.02908 -0.09638 86 4YY 0.03694 0.12317 0.17689 0.15029 0.07858 87 4ZZ -0.10553 -0.23992 -0.12298 -0.09206 -0.05826 88 4XY 0.03488 0.15296 0.13330 -0.19819 0.05239 89 4XZ 0.07328 0.22283 0.09208 0.06576 0.03541 90 4YZ -0.03579 0.22162 -0.17310 -0.02103 -0.06862 91 7 H 1S 0.06913 -0.07026 0.12862 0.03878 0.03420 92 2S -0.03146 0.16303 -0.09303 0.02802 -0.06583 93 8 H 1S -0.01026 0.14832 0.12244 0.02657 0.10039 94 2S -0.05169 0.03578 -0.08424 0.08214 -0.06862 95 9 H 1S -0.01025 -0.15593 0.11258 -0.02673 0.10026 96 2S -0.05173 -0.03023 -0.08648 -0.08201 -0.06862 97 10 H 1S 0.06908 0.06183 0.13285 -0.03894 0.03429 98 2S -0.03146 -0.15667 -0.10358 -0.02788 -0.06611 99 11 O 1S -0.00300 -0.00138 -0.00455 0.00238 0.00383 100 2S -0.11968 0.07732 -0.47754 0.13049 -0.21571 101 2PX -0.00665 0.02517 -0.03173 -0.00920 -0.01452 102 2PY -0.06650 0.03566 -0.26124 0.01327 -0.12411 103 2PZ -0.00574 -0.00749 -0.01943 -0.00653 -0.01702 104 3S 0.23305 -0.01529 0.91643 -0.48352 0.29891 105 3PX -0.19437 -0.04708 0.08293 0.10198 0.00829 106 3PY 0.15896 -0.07564 0.40339 -0.12735 0.14406 107 3PZ -0.22249 0.19451 0.06714 0.15403 0.10871 108 4XX -0.15184 0.13940 -0.08423 0.03592 -0.02178 109 4YY 0.22479 -0.15613 0.00900 -0.09935 -0.00675 110 4ZZ -0.12819 0.01771 -0.08788 0.07646 -0.00099 111 4XY -0.43154 0.10964 0.10312 0.21949 0.06390 112 4XZ -0.11463 0.05567 -0.07698 0.04859 -0.02574 113 4YZ -0.44242 0.22432 0.09803 0.27448 0.10759 114 12 O 1S -0.00300 0.00166 -0.00446 -0.00236 0.00384 115 2S -0.11981 -0.04626 -0.48187 -0.12994 -0.21583 116 2PX -0.00669 -0.02308 -0.03348 0.00922 -0.01463 117 2PY 0.06653 0.01868 0.26305 0.01299 0.12416 118 2PZ -0.00574 0.00875 -0.01889 0.00654 -0.01701 119 3S 0.23340 -0.04396 0.91656 0.48239 0.29898 120 3PX -0.19423 0.04167 0.08610 -0.10190 0.00846 121 3PY -0.15919 -0.04941 -0.40763 -0.12692 -0.14413 122 3PZ -0.22253 -0.19856 0.05426 -0.15394 0.10861 123 4XX -0.15243 -0.13385 -0.09298 -0.03602 -0.02182 124 4YY 0.22538 0.15541 0.01903 0.09950 -0.00668 125 4ZZ -0.12820 -0.01206 -0.08892 -0.07630 -0.00101 126 4XY 0.43110 0.11586 -0.09584 0.21932 -0.06392 127 4XZ -0.11496 -0.05080 -0.08038 -0.04866 -0.02568 128 4YZ 0.44245 0.23025 -0.08317 0.27433 -0.10758 129 13 C 1S 0.00024 0.00046 -0.01423 0.00001 0.04085 130 2S -0.12789 -0.00178 0.05495 0.00002 0.17646 131 2PX 0.03129 0.00106 -0.03522 0.00000 0.04510 132 2PY -0.00003 0.26371 0.00845 0.06618 0.00008 133 2PZ -0.00412 -0.00078 0.02494 -0.00002 -0.05759 134 3S 0.25516 0.00261 -0.08990 -0.00004 -0.77151 135 3PX -0.15760 -0.00091 0.02065 -0.00004 0.36864 136 3PY -0.00016 0.48200 0.01559 0.39169 0.00015 137 3PZ 0.00577 -0.00086 0.02262 0.00004 -0.12343 138 4XX -0.03142 0.00126 -0.03480 0.00015 0.00764 139 4YY 0.02370 0.00003 -0.00981 -0.00014 0.15510 140 4ZZ 0.05899 -0.00028 0.01363 -0.00001 -0.17378 141 4XY 0.00001 -0.20443 -0.00662 -0.22561 -0.00008 142 4XZ -0.01893 0.00348 -0.11314 -0.00002 0.30802 143 4YZ -0.00001 0.10541 0.00349 0.37752 0.00007 144 14 H 1S 0.02748 -0.00073 0.02428 -0.00004 -0.02862 145 2S 0.02922 0.00019 -0.00412 -0.00003 -0.04073 146 15 H 1S -0.05556 -0.00004 -0.00128 0.00004 0.13640 147 2S -0.02478 -0.00237 0.07405 -0.00006 -0.09780 148 16 C 1S 0.00724 -0.07643 -0.01898 -0.00163 0.02204 149 2S 0.04062 -0.66324 -0.13391 0.15646 -0.00416 150 2PX -0.00335 -0.00595 -0.02778 0.07174 0.08781 151 2PY -0.02151 -0.02279 0.01332 0.08189 -0.02480 152 2PZ -0.02407 0.21923 0.15869 -0.15601 -0.28975 153 3S -0.27684 3.50306 0.81345 -1.03785 -0.68818 154 3PX 0.03561 -0.38358 -0.16907 0.36295 0.19991 155 3PY -0.04941 1.78025 0.25414 -0.46524 -0.17617 156 3PZ -0.03621 0.68367 0.37230 -0.56075 -0.80910 157 4XX 0.01900 -0.23623 -0.07066 0.02822 0.09049 158 4YY 0.03627 0.14153 -0.16795 0.11149 0.45185 159 4ZZ -0.06502 0.20128 0.29995 -0.16256 -0.59327 160 4XY -0.00457 -0.01827 -0.06469 0.20475 0.10515 161 4XZ 0.02634 -0.24245 -0.12455 -0.01065 0.29780 162 4YZ -0.05713 0.07690 0.19876 -0.15157 -0.30467 163 17 H 1S -0.00275 -0.05492 0.02243 -0.00839 -0.14343 164 2S 0.02768 0.43922 0.05836 -0.10692 -0.05546 165 18 C 1S -0.00477 0.06848 0.02479 -0.07455 -0.04015 166 2S 0.08108 0.23596 -0.04846 -0.23969 0.00862 167 2PX 0.00370 -0.03539 -0.03740 0.02042 0.07099 168 2PY -0.01334 -0.08663 0.06310 0.33071 -0.14154 169 2PZ -0.05442 0.15839 0.18520 -0.04482 -0.31994 170 3S 0.05953 -4.20941 -0.72116 3.38516 1.08709 171 3PX 0.03211 -0.42368 -0.10065 0.12115 0.17320 172 3PY -0.00330 -1.24662 0.02381 1.29187 -0.13667 173 3PZ -0.04301 1.74595 0.38843 -1.04049 -0.63994 174 4XX -0.02984 0.42952 0.13637 -0.48800 -0.22173 175 4YY -0.03098 -0.18857 0.07689 0.64787 -0.10813 176 4ZZ 0.03820 -0.23856 -0.22601 -0.08294 0.40673 177 4XY -0.01624 -0.03997 0.02997 -0.05449 -0.05864 178 4XZ -0.02313 0.14245 0.10141 -0.08155 -0.17211 179 4YZ 0.02512 -0.08138 -0.12338 -0.03654 0.29974 180 19 H 1S 0.00682 0.06471 0.01103 -0.09205 0.00423 181 2S 0.01370 -0.46738 -0.07582 0.34348 0.13133 182 20 C 1S 0.00720 0.07746 -0.01406 0.00165 0.02208 183 2S 0.04056 0.67034 -0.09128 -0.15628 -0.00361 184 2PX -0.00343 0.00768 -0.02741 -0.07174 0.08779 185 2PY 0.02147 -0.02186 -0.01478 0.08183 0.02485 186 2PZ -0.02388 -0.22886 0.14455 0.15578 -0.28994 187 3S -0.27498 -3.54722 0.58935 1.03684 -0.69054 188 3PX 0.03547 0.39259 -0.14448 -0.36243 0.20025 189 3PY 0.04870 1.79293 -0.14046 -0.46528 0.17766 190 3PZ -0.03565 -0.70537 0.32861 0.56001 -0.80961 191 4XX 0.01883 0.24030 -0.05556 -0.02842 0.09079 192 4YY 0.03626 -0.13086 -0.17662 -0.11085 0.45156 193 4ZZ -0.06488 -0.21968 0.28657 0.16202 -0.59341 194 4XY 0.00457 -0.02218 0.06366 0.20471 -0.10556 195 4XZ 0.02616 0.24958 -0.10873 0.01106 0.29767 196 4YZ 0.05707 0.08965 -0.19379 -0.15135 0.30525 197 21 H 1S -0.00279 0.05352 0.02586 0.00829 -0.14338 198 2S 0.02781 -0.44204 0.03026 0.10684 -0.05576 199 22 C 1S -0.00470 -0.06991 0.02047 0.07451 -0.04022 200 2S 0.08138 -0.23230 -0.06306 0.23965 0.00858 201 2PX 0.00366 0.03771 -0.03504 -0.02055 0.07092 202 2PY 0.01355 -0.08249 -0.06812 0.33082 0.14148 203 2PZ -0.05436 -0.16979 0.17474 0.04460 -0.32010 204 3S 0.05606 4.24653 -0.45524 -3.38411 1.09041 205 3PX 0.03178 0.42983 -0.07349 -0.12179 0.17332 206 3PY 0.00447 -1.24198 -0.10191 1.29169 0.13579 207 3PZ -0.04168 -1.76711 0.27754 1.04010 -0.64110 208 4XX -0.02936 -0.43724 0.10938 0.48786 -0.22222 209 4YY -0.03134 0.18326 0.08786 -0.64802 -0.10759 210 4ZZ 0.03805 0.25237 -0.21022 0.08328 0.40670 211 4XY 0.01625 -0.03843 -0.03244 -0.05367 0.05854 212 4XZ -0.02291 -0.14850 0.09210 0.08143 -0.17197 213 4YZ -0.02513 -0.08901 0.11800 -0.03686 -0.29999 214 23 H 1S 0.00693 -0.06534 0.00702 0.09205 0.00416 215 2S 0.01330 0.47119 -0.04626 -0.34337 0.13168 191 192 193 194 195 V V V V V Eigenvalues -- 2.66896 2.68099 2.71168 2.76373 2.83239 1 1 C 1S -0.04191 -0.00889 0.02159 -0.09176 0.03504 2 2S -0.15512 0.00609 -0.14362 -0.47191 0.06860 3 2PX 0.01811 0.02676 0.02139 0.01337 0.03000 4 2PY 0.06362 -0.04373 -0.38937 0.25481 -0.08022 5 2PZ -0.04870 -0.02398 -0.01778 -0.03881 -0.04148 6 3S 2.08291 0.21339 -0.48899 6.46628 -0.16386 7 3PX 0.58666 0.07633 0.34798 1.92870 -0.36422 8 3PY 0.57784 0.01886 -0.61048 1.91514 1.52924 9 3PZ -0.62243 -0.10166 -0.31290 -2.10962 0.66109 10 4XX -0.13029 -0.03551 0.32926 -0.20751 0.13880 11 4YY 0.13149 0.01108 -0.62995 0.46800 -0.13531 12 4ZZ -0.01379 -0.00893 0.24423 -0.19680 0.05968 13 4XY 0.03973 -0.02227 -0.27427 -0.08388 0.36190 14 4XZ -0.24546 -0.02688 -0.09360 -0.34820 0.12058 15 4YZ -0.16104 0.02688 0.27530 0.03100 -0.43427 16 2 C 1S 0.03700 0.00880 0.06318 0.08999 0.03946 17 2S 0.32813 0.07103 0.09322 0.73963 0.40937 18 2PX -0.05478 -0.01779 -0.03519 0.05680 -0.26228 19 2PY -0.08769 -0.00276 -0.22807 -0.19115 -0.15308 20 2PZ -0.00804 0.00710 0.03048 -0.11057 0.22314 21 3S -1.70256 -0.34005 -2.00975 -3.96007 -1.70241 22 3PX -0.18683 0.00879 -0.59025 0.21754 -2.21625 23 3PY -0.76582 -0.32050 -0.86710 -3.28284 -1.58296 24 3PZ -0.19236 -0.08263 0.30858 -0.84508 1.80038 25 4XX 0.14686 -0.01101 0.02597 0.14283 -0.07437 26 4YY -0.16684 0.01893 0.00226 -0.16071 -0.00354 27 4ZZ 0.00706 -0.02225 0.03487 0.10776 0.10704 28 4XY 0.24878 0.02649 -0.24617 -0.11791 -0.20643 29 4XZ 0.19158 0.09623 0.20097 0.17196 0.08189 30 4YZ 0.10151 0.01106 -0.12374 -0.20200 0.13821 31 3 C 1S -0.01647 -0.00458 -0.02619 -0.06282 -0.10758 32 2S 0.00332 -0.03208 -0.62715 -0.84370 -0.85314 33 2PX 0.01012 -0.00947 -0.04580 -0.10179 -0.08172 34 2PY -0.04512 -0.03783 -0.22013 0.08266 0.21017 35 2PZ 0.04112 0.01258 -0.00252 -0.02952 -0.05002 36 3S 0.94065 0.15369 2.19154 5.62414 6.13459 37 3PX -0.37193 -0.12346 -0.62123 -0.74871 -1.65434 38 3PY -0.06166 0.04393 -0.41453 2.35610 0.62770 39 3PZ 0.44373 0.11537 1.15100 1.59456 2.18552 40 4XX 0.17532 -0.00996 0.25306 -0.04287 -0.11525 41 4YY -0.13260 0.02601 -0.42219 0.21759 0.50945 42 4ZZ -0.13222 -0.01264 0.27368 0.07286 -0.22829 43 4XY 0.09027 0.02947 0.27143 -0.20960 0.34621 44 4XZ -0.00256 -0.02885 -0.28046 -0.21010 -0.34623 45 4YZ -0.12236 -0.03627 -0.08626 0.39352 -0.21882 46 4 C 1S 0.01647 -0.00456 0.02620 0.06282 0.10758 47 2S -0.00325 -0.03200 0.62707 0.84363 0.85313 48 2PX -0.01007 -0.00952 0.04595 0.10174 0.08158 49 2PY -0.04522 0.03783 -0.22012 0.08272 0.21025 50 2PZ -0.04116 0.01255 0.00246 0.02951 0.05008 51 3S -0.94089 0.15252 -2.19154 -5.62402 -6.13446 52 3PX 0.37217 -0.12343 0.62154 0.74746 1.65424 53 3PY -0.06129 -0.04391 -0.41407 2.35669 0.62895 54 3PZ -0.44383 0.11501 -1.15088 -1.59396 -2.18519 55 4XX -0.17542 -0.01006 -0.25336 0.04303 0.11478 56 4YY 0.13262 0.02600 0.42245 -0.21793 -0.50904 57 4ZZ 0.13230 -0.01246 -0.27357 -0.07263 0.22835 58 4XY 0.09016 -0.02943 0.27106 -0.20947 0.34657 59 4XZ 0.00266 -0.02897 0.28052 0.20981 0.34638 60 4YZ -0.12243 0.03610 -0.08600 0.39356 -0.21874 61 5 C 1S -0.03700 0.00879 -0.06318 -0.08998 -0.03946 62 2S -0.32810 0.07082 -0.09307 -0.73951 -0.40927 63 2PX 0.05488 -0.01770 0.03533 -0.05668 0.26240 64 2PY -0.08766 0.00276 -0.22802 -0.19120 -0.15288 65 2PZ 0.00802 0.00705 -0.03050 0.11056 -0.22314 66 3S 1.70289 -0.33940 2.00971 3.95981 1.70217 67 3PX 0.18743 0.00884 0.59094 -0.21518 2.21749 68 3PY -0.76593 0.32012 -0.86633 -3.28239 -1.58103 69 3PZ 0.19236 -0.08255 -0.30865 0.84489 -1.80027 70 4XX -0.14708 -0.01106 -0.02554 -0.14269 0.07471 71 4YY 0.16700 0.01899 -0.00280 0.16048 0.00326 72 4ZZ -0.00701 -0.02219 -0.03478 -0.10768 -0.10713 73 4XY 0.24855 -0.02627 -0.24628 -0.11816 -0.20643 74 4XZ -0.19187 0.09615 -0.20098 -0.17181 -0.08193 75 4YZ 0.10140 -0.01085 -0.12398 -0.20209 0.13810 76 6 C 1S 0.04192 -0.00887 -0.02158 0.09176 -0.03504 77 2S 0.15506 0.00607 0.14355 0.47188 -0.06865 78 2PX -0.01820 0.02671 -0.02115 -0.01354 -0.02995 79 2PY 0.06353 0.04383 -0.38942 0.25482 -0.08021 80 2PZ 0.04875 -0.02393 0.01779 0.03880 0.04146 81 3S -2.08301 0.21250 0.48915 -6.46598 0.16399 82 3PX -0.58708 0.07624 -0.34748 -1.92985 0.36327 83 3PY 0.57745 -0.01837 -0.61073 1.91370 1.52944 84 3PZ 0.62250 -0.10156 0.31276 2.10956 -0.66113 85 4XX 0.13032 -0.03542 -0.32890 0.20763 -0.13922 86 4YY -0.13148 0.01096 0.62955 -0.46814 0.13578 87 4ZZ 0.01381 -0.00888 -0.24413 0.19682 -0.05973 88 4XY 0.03987 0.02231 -0.27508 -0.08339 0.36169 89 4XZ 0.24557 -0.02678 0.09335 0.34812 -0.12030 90 4YZ -0.16081 -0.02714 0.27546 0.03118 -0.43436 91 7 H 1S -0.13349 0.01212 0.14920 0.02555 -0.13544 92 2S 0.24413 0.02304 -0.05163 0.71144 0.11032 93 8 H 1S 0.12218 0.03140 -0.07302 -0.23976 0.05118 94 2S -0.02359 0.00966 0.10753 0.55107 0.40533 95 9 H 1S -0.12228 0.03129 0.07297 0.23968 -0.05125 96 2S 0.02363 0.00973 -0.10742 -0.55089 -0.40522 97 10 H 1S 0.13344 0.01225 -0.14925 -0.02556 0.13545 98 2S -0.24412 0.02294 0.05169 -0.71138 -0.11028 99 11 O 1S -0.00043 0.00142 -0.00408 -0.01660 -0.00693 100 2S 0.10124 0.01067 0.20223 0.53917 0.27578 101 2PX 0.00774 -0.00946 -0.01372 0.02645 -0.06430 102 2PY 0.03241 -0.01686 0.03471 0.09972 0.01368 103 2PZ -0.00423 -0.00636 0.00820 -0.01952 0.05739 104 3S -0.22146 -0.13812 -0.41126 -1.54143 -0.90978 105 3PX 0.11379 0.01293 0.01667 -0.22611 0.37784 106 3PY -0.09067 -0.01976 -0.12774 -0.42961 -0.31647 107 3PZ 0.09317 0.02600 -0.12925 0.06827 -0.43249 108 4XX 0.08302 0.01026 -0.02277 -0.01480 0.08159 109 4YY -0.17094 -0.01099 -0.02714 -0.22255 -0.21351 110 4ZZ 0.08893 -0.00336 0.01017 0.05877 0.00770 111 4XY 0.24927 0.02399 -0.13852 -0.17690 0.10068 112 4XZ 0.03119 -0.01231 0.00185 -0.05767 -0.04207 113 4YZ 0.11582 0.02835 -0.12917 -0.02737 -0.17897 114 12 O 1S 0.00043 0.00141 0.00409 0.01660 0.00693 115 2S -0.10113 0.01067 -0.20202 -0.53901 -0.27573 116 2PX -0.00774 -0.00946 0.01371 -0.02651 0.06430 117 2PY 0.03232 0.01685 0.03463 0.09967 0.01373 118 2PZ 0.00424 -0.00636 -0.00820 0.01952 -0.05738 119 3S 0.22141 -0.13799 0.41077 1.54095 0.90961 120 3PX -0.11377 0.01274 -0.01658 0.22637 -0.37765 121 3PY -0.09068 0.01973 -0.12754 -0.42930 -0.31670 122 3PZ -0.09318 0.02592 0.12929 -0.06824 0.43246 123 4XX -0.08331 0.01021 0.02303 0.01503 -0.08174 124 4YY 0.17127 -0.01092 0.02688 0.22231 0.21360 125 4ZZ -0.08891 -0.00343 -0.01011 -0.05877 -0.00767 126 4XY 0.24910 -0.02372 -0.13858 -0.17706 0.10042 127 4XZ -0.03123 -0.01232 -0.00169 0.05770 0.04219 128 4YZ 0.11582 -0.02824 -0.12926 -0.02734 -0.17894 129 13 C 1S -0.00002 0.03247 0.00000 0.00001 0.00001 130 2S -0.00001 -0.06712 -0.00002 0.00002 0.00008 131 2PX 0.00004 0.09879 0.00003 0.00002 -0.00003 132 2PY -0.31001 -0.00013 -0.10294 -0.04321 0.03250 133 2PZ 0.00002 -0.07138 0.00000 -0.00001 0.00000 134 3S 0.00057 -0.53049 0.00017 -0.00021 -0.00026 135 3PX 0.00025 -0.00014 0.00007 0.00007 0.00014 136 3PY -0.88869 -0.00042 -0.29667 0.00096 0.12408 137 3PZ 0.00008 -0.07136 0.00004 -0.00011 -0.00006 138 4XX -0.00035 0.14710 -0.00006 0.00004 0.00008 139 4YY 0.00065 -0.63263 0.00003 -0.00007 -0.00008 140 4ZZ -0.00031 0.52983 0.00004 0.00004 -0.00002 141 4XY 0.47089 0.00054 0.12515 -0.02500 -0.10281 142 4XZ 0.00020 -0.09059 -0.00001 0.00000 -0.00002 143 4YZ -0.48270 -0.00034 -0.05731 0.02690 0.11810 144 14 H 1S -0.00001 -0.00222 -0.00001 0.00000 -0.00002 145 2S -0.00005 0.07806 0.00000 0.00000 -0.00004 146 15 H 1S 0.00011 -0.24348 -0.00002 0.00000 0.00004 147 2S -0.00005 0.11578 0.00000 -0.00005 -0.00004 148 16 C 1S 0.07447 0.01335 0.03640 0.01587 0.01652 149 2S 0.24307 -0.00564 0.36951 0.30863 0.06650 150 2PX -0.03192 0.05489 -0.00001 0.01069 0.08092 151 2PY -0.10597 0.01053 0.02469 0.06023 0.05451 152 2PZ -0.11135 -0.13787 -0.04330 0.06176 0.01302 153 3S -2.59842 -0.39224 -1.42002 -0.68243 -0.29333 154 3PX -0.04346 0.16940 0.25227 0.25603 0.21390 155 3PY -1.30897 0.00615 -0.66660 -0.44067 -0.28671 156 3PZ -0.37717 -0.48297 -0.14651 -0.07428 -0.15995 157 4XX 0.22707 0.27155 -0.00511 -0.09083 -0.07976 158 4YY -0.21175 -0.33364 -0.03143 -0.01653 0.13341 159 4ZZ -0.01674 0.07006 -0.03322 0.05711 -0.00022 160 4XY -0.19519 0.20510 0.00386 0.07469 0.11119 161 4XZ 0.28310 -0.18254 0.06580 -0.05631 -0.05765 162 4YZ 0.07531 -0.54474 0.02153 0.06191 -0.02263 163 17 H 1S 0.06389 0.31872 0.02100 0.00100 -0.07032 164 2S -0.37036 -0.16887 -0.18774 -0.14777 -0.08052 165 18 C 1S -0.01792 -0.02358 -0.00060 0.00862 0.00847 166 2S -0.29758 0.02419 -0.03614 0.09111 0.03297 167 2PX 0.02412 0.04177 0.01404 -0.01622 0.01641 168 2PY -0.15086 0.06809 -0.04708 0.03330 -0.00941 169 2PZ -0.05998 -0.06580 -0.05019 0.01456 -0.03274 170 3S 2.09991 0.66286 0.71804 0.05960 0.06766 171 3PX 0.35460 0.07507 0.05623 0.05819 -0.03124 172 3PY 0.31873 -0.21097 -0.03148 -0.07392 -0.11150 173 3PZ -1.28081 -0.29797 -0.42424 -0.10136 0.06053 174 4XX -0.07260 -0.09534 0.00589 0.04294 0.03560 175 4YY -0.30260 -0.22512 -0.10004 0.03809 0.00839 176 4ZZ 0.38317 0.33316 0.09778 -0.09777 -0.00808 177 4XY 0.07732 0.01312 0.02567 0.07809 0.01054 178 4XZ -0.08402 -0.23622 0.01691 0.06610 -0.01501 179 4YZ 0.10663 -0.14902 0.10533 0.00938 0.06530 180 19 H 1S -0.00394 -0.20038 0.02796 0.04311 0.00580 181 2S 0.26686 0.08378 0.02476 -0.00739 -0.07196 182 20 C 1S -0.07448 0.01325 -0.03639 -0.01586 -0.01653 183 2S -0.24299 -0.00620 -0.36943 -0.30855 -0.06651 184 2PX 0.03193 0.05491 -0.00001 -0.01073 -0.08096 185 2PY -0.10594 -0.01052 0.02468 0.06026 0.05445 186 2PZ 0.11152 -0.13764 0.04333 -0.06179 -0.01301 187 3S 2.59844 -0.38840 1.41978 0.68230 0.29374 188 3PX 0.04406 0.16913 -0.25188 -0.25561 -0.21376 189 3PY -1.30890 -0.00772 -0.66669 -0.44115 -0.28713 190 3PZ 0.37740 -0.48227 0.14638 0.07417 0.16004 191 4XX -0.22706 0.27144 0.00515 0.09077 0.07959 192 4YY 0.21170 -0.33385 0.03127 0.01648 -0.13330 193 4ZZ 0.01678 0.07045 0.03333 -0.05703 0.00028 194 4XY -0.19524 -0.20481 0.00383 0.07466 0.11127 195 4XZ -0.28300 -0.18329 -0.06586 0.05624 0.05764 196 4YZ 0.07462 0.54450 0.02151 0.06207 -0.02268 197 21 H 1S -0.06409 0.31858 -0.02091 -0.00085 0.07034 198 2S 0.37048 -0.16839 0.18770 0.14784 0.08060 199 22 C 1S 0.01794 -0.02353 0.00060 -0.00863 -0.00846 200 2S 0.29747 0.02454 0.03606 -0.09121 -0.03310 201 2PX -0.02406 0.04175 -0.01401 0.01620 -0.01641 202 2PY -0.15082 -0.06815 -0.04711 0.03330 -0.00942 203 2PZ 0.06006 -0.06567 0.05021 -0.01454 0.03280 204 3S -2.10048 0.65929 -0.71794 -0.05939 -0.06781 205 3PX -0.35483 0.07447 -0.05620 -0.05817 0.03126 206 3PY 0.31806 0.21169 -0.03160 -0.07388 -0.11150 207 3PZ 1.28111 -0.29603 0.42420 0.10126 -0.06045 208 4XX 0.07263 -0.09511 -0.00590 -0.04305 -0.03556 209 4YY 0.30288 -0.22498 0.10003 -0.03803 -0.00835 210 4ZZ -0.38348 0.33280 -0.09774 0.09787 0.00807 211 4XY 0.07715 -0.01288 0.02558 0.07808 0.01051 212 4XZ 0.08418 -0.23617 -0.01699 -0.06610 0.01501 213 4YZ 0.10671 0.14904 0.10543 0.00933 0.06532 214 23 H 1S 0.00412 -0.20040 -0.02799 -0.04315 -0.00577 215 2S -0.26693 0.08341 -0.02476 0.00738 0.07190 196 197 198 199 200 V V V V V Eigenvalues -- 2.91144 2.95543 2.96967 2.97908 3.01625 1 1 C 1S 0.00804 -0.00017 -0.00851 0.00652 0.05062 2 2S 0.07630 0.07720 0.14040 -0.08402 0.30568 3 2PX -0.00139 0.02257 0.08721 -0.06646 0.01446 4 2PY -0.02012 -0.03984 0.01529 0.00102 -0.03655 5 2PZ -0.00331 -0.01308 -0.09489 0.07310 0.01218 6 3S -0.56665 -0.05932 -0.00511 0.11994 -3.34581 7 3PX -0.20500 -0.03214 0.03033 -0.03336 -1.09828 8 3PY 0.16320 0.07514 -0.17856 -0.07529 -1.08886 9 3PZ 0.29181 0.02665 -0.03391 0.02273 1.17740 10 4XX 0.01855 0.00782 0.09883 -0.02985 0.08395 11 4YY -0.03612 -0.06979 -0.17060 0.05944 -0.13782 12 4ZZ -0.00332 0.00094 0.13022 -0.05095 0.04823 13 4XY -0.00067 -0.02363 -0.09504 0.05063 0.04301 14 4XZ 0.03717 0.00768 -0.18131 0.08844 0.17307 15 4YZ -0.01745 -0.01706 0.09097 -0.05628 -0.01309 16 2 C 1S 0.00335 0.00622 -0.01038 -0.00300 -0.04057 17 2S -0.13069 0.07886 -0.48526 -0.69399 0.60889 18 2PX -0.00088 -0.02304 0.14256 0.05302 -0.09380 19 2PY 0.10200 0.00642 0.52629 0.70004 -0.74562 20 2PZ 0.03461 0.03047 -0.01012 0.11094 -0.08565 21 3S -0.37507 -0.47443 -0.76206 -1.19447 4.29006 22 3PX -0.55248 -0.30236 -0.02656 0.13873 0.23900 23 3PY 0.20969 -0.26176 0.55689 0.63824 0.84165 24 3PZ 0.53350 0.13875 0.08835 -0.00033 -0.02330 25 4XX 0.01539 -0.01666 0.26305 0.17381 -0.26623 26 4YY -0.03611 -0.02266 -0.38426 -0.45314 0.51091 27 4ZZ 0.03365 0.00567 0.08661 0.29923 -0.30138 28 4XY -0.05605 -0.01697 0.41867 -0.45892 0.19606 29 4XZ 0.04532 0.03422 -0.01158 0.05268 -0.21292 30 4YZ 0.02250 -0.00477 -0.54314 0.29928 0.09815 31 3 C 1S -0.02570 -0.01680 0.01322 -0.01785 0.06289 32 2S -0.15030 -0.23223 -0.10977 0.27523 0.41643 33 2PX -0.01474 -0.01717 0.09775 -0.06085 0.05221 34 2PY 0.01169 0.01101 0.00106 0.00490 -0.02006 35 2PZ 0.00558 -0.01522 -0.08807 0.08354 0.01366 36 3S 1.01984 1.08883 0.00721 -0.06438 -3.63958 37 3PX -0.15048 -0.10209 0.08689 -0.12955 1.12117 38 3PY -0.16682 0.06099 -0.00076 -0.14857 -0.97817 39 3PZ 0.25837 0.43786 -0.10631 0.00795 -1.32212 40 4XX 0.01495 0.02820 -0.08488 0.04789 0.03484 41 4YY 0.04636 0.01323 0.10748 -0.17935 -0.16591 42 4ZZ -0.07279 0.01961 -0.05021 0.03121 0.10441 43 4XY 0.10621 0.04415 -0.08300 0.08815 -0.06300 44 4XZ -0.06131 -0.02731 0.15764 -0.17547 0.22973 45 4YZ -0.02655 -0.00450 0.09590 -0.08282 0.06021 46 4 C 1S 0.02571 0.01680 0.01322 -0.01785 -0.06289 47 2S 0.15028 0.23220 -0.10977 0.27533 -0.41647 48 2PX 0.01474 0.01715 0.09776 -0.06085 -0.05219 49 2PY 0.01171 0.01101 -0.00098 -0.00496 -0.02010 50 2PZ -0.00558 0.01523 -0.08805 0.08352 -0.01369 51 3S -1.01993 -1.08874 0.00724 -0.06459 3.63953 52 3PX 0.15062 0.10210 0.08695 -0.12980 -1.12077 53 3PY -0.16677 0.06116 0.00066 0.14839 -0.97901 54 3PZ -0.25836 -0.43781 -0.10640 0.00792 1.32183 55 4XX -0.01509 -0.02826 -0.08502 0.04802 -0.03468 56 4YY -0.04623 -0.01318 0.10761 -0.17946 0.16586 57 4ZZ 0.07281 -0.01959 -0.05018 0.03114 -0.10449 58 4XY 0.10625 0.04415 0.08284 -0.08791 -0.06309 59 4XZ 0.06135 0.02731 0.15771 -0.17554 -0.22976 60 4YZ -0.02653 -0.00448 -0.09577 0.08270 0.06013 61 5 C 1S -0.00335 -0.00621 -0.01038 -0.00301 0.04057 62 2S 0.13065 -0.07854 -0.48538 -0.69412 -0.60890 63 2PX 0.00082 0.02299 0.14295 0.05354 0.09434 64 2PY 0.10195 0.00673 -0.52625 -0.70009 -0.74544 65 2PZ -0.03461 -0.03050 -0.01010 0.11094 0.08566 66 3S 0.37512 0.47474 -0.76209 -1.19466 -4.28967 67 3PX 0.55238 0.30252 -0.02603 0.13935 -0.23967 68 3PY 0.21017 -0.26123 -0.55693 -0.63812 0.84137 69 3PZ -0.53348 -0.13877 0.08830 -0.00038 0.02338 70 4XX -0.01529 0.01659 0.26361 0.17326 0.26594 71 4YY 0.03599 0.02283 -0.38480 -0.45260 -0.51054 72 4ZZ -0.03365 -0.00577 0.08663 0.29928 0.30137 73 4XY -0.05614 -0.01699 -0.41813 0.45949 0.19672 74 4XZ -0.04535 -0.03422 -0.01197 0.05288 0.21281 75 4YZ 0.02251 -0.00486 0.54314 -0.29923 0.09834 76 6 C 1S -0.00804 0.00017 -0.00851 0.00652 -0.05062 77 2S -0.07629 -0.07723 0.14035 -0.08409 -0.30568 78 2PX 0.00141 -0.02255 0.08721 -0.06647 -0.01444 79 2PY -0.02011 -0.03984 -0.01525 -0.00110 -0.03657 80 2PZ 0.00331 0.01308 -0.09489 0.07311 -0.01217 81 3S 0.56664 0.05935 -0.00482 0.12036 3.34561 82 3PX 0.20490 0.03212 0.03029 -0.03329 1.09896 83 3PY 0.16332 0.07509 0.17851 0.07516 -1.08810 84 3PZ -0.29184 -0.02668 -0.03400 0.02259 -1.17739 85 4XX -0.01855 -0.00781 0.09871 -0.02981 -0.08401 86 4YY 0.03610 0.06980 -0.17044 0.05945 0.13789 87 4ZZ 0.00334 -0.00097 0.13020 -0.05095 -0.04822 88 4XY -0.00071 -0.02370 0.09525 -0.05072 0.04284 89 4XZ -0.03718 -0.00766 -0.18126 0.08839 -0.17303 90 4YZ -0.01748 -0.01706 -0.09109 0.05633 -0.01318 91 7 H 1S 0.01378 0.01462 -0.02521 -0.01482 -0.02901 92 2S -0.03991 -0.00890 0.03778 -0.03512 -0.45849 93 8 H 1S -0.03377 -0.03055 -0.01535 0.00489 -0.03940 94 2S 0.01227 0.06924 -0.05640 0.04957 -0.38800 95 9 H 1S 0.03378 0.03052 -0.01536 0.00494 0.03946 96 2S -0.01225 -0.06924 -0.05640 0.04962 0.38790 97 10 H 1S -0.01378 -0.01461 -0.02522 -0.01482 0.02902 98 2S 0.03994 0.00891 0.03783 -0.03507 0.45848 99 11 O 1S -0.00648 -0.00182 -0.00476 -0.00772 0.01427 100 2S -0.12267 0.02136 -0.36313 -0.47277 0.53498 101 2PX -0.00697 -0.01042 0.02794 0.01345 -0.00966 102 2PY 0.01186 0.00611 0.12500 0.17820 -0.18047 103 2PZ 0.01709 -0.00113 -0.00162 0.02929 -0.01401 104 3S 0.47133 -0.06219 1.32776 1.76354 -1.82926 105 3PX 0.13236 0.06408 0.29212 0.02293 -0.20847 106 3PY 0.22701 -0.00123 0.76527 1.04605 -1.27671 107 3PZ -0.08804 -0.02177 -0.09688 0.22050 -0.11136 108 4XX -0.07071 -0.00802 -0.12700 -0.33395 0.35280 109 4YY 0.13279 0.00316 0.60852 0.87189 -0.98319 110 4ZZ -0.06487 -0.01013 -0.26559 -0.25299 0.36160 111 4XY 0.06342 0.02358 0.46747 -0.04295 -0.20671 112 4XZ -0.00423 0.00331 0.00735 0.03533 -0.00008 113 4YZ -0.01522 -0.00900 -0.23379 0.36779 -0.14886 114 12 O 1S 0.00647 0.00183 -0.00476 -0.00772 -0.01426 115 2S 0.12268 -0.02118 -0.36316 -0.47282 -0.53492 116 2PX 0.00697 0.01040 0.02804 0.01358 0.00978 117 2PY 0.01186 0.00619 -0.12500 -0.17821 -0.18044 118 2PZ -0.01710 0.00113 -0.00162 0.02929 0.01400 119 3S -0.47135 0.06145 1.32790 1.76372 1.82908 120 3PX -0.13253 -0.06415 0.29267 0.02366 0.20942 121 3PY 0.22688 -0.00085 -0.76515 -1.04616 -1.27641 122 3PZ 0.08803 0.02176 -0.09685 0.22054 0.11136 123 4XX 0.07060 0.00813 -0.12644 -0.33404 -0.35249 124 4YY -0.13267 -0.00348 0.60801 0.87205 0.98280 125 4ZZ 0.06484 0.01027 -0.26563 -0.25301 -0.36156 126 4XY 0.06355 0.02369 -0.46811 0.04194 -0.20781 127 4XZ 0.00424 -0.00331 0.00718 0.03560 0.00019 128 4YZ -0.01519 -0.00898 0.23376 -0.36781 -0.14885 129 13 C 1S 0.00000 0.00000 -0.00044 -0.00363 -0.00001 130 2S 0.00002 -0.00002 0.02553 -0.08942 -0.00005 131 2PX 0.00009 -0.00001 -0.01745 0.02030 0.00002 132 2PY -0.28616 0.04688 0.00001 0.00001 -0.03607 133 2PZ -0.00002 0.00000 0.00003 -0.01060 0.00000 134 3S -0.00004 0.00004 0.06218 0.07979 0.00026 135 3PX 0.00035 -0.00001 0.06573 -0.06521 -0.00009 136 3PY -0.96658 -0.02884 0.00006 -0.00003 -0.13556 137 3PZ -0.00006 -0.00001 0.06861 0.03841 0.00008 138 4XX -0.00024 0.00007 0.00077 0.02005 -0.00005 139 4YY 0.00030 -0.00012 -0.00049 0.01063 0.00005 140 4ZZ -0.00004 0.00005 -0.01264 -0.00164 0.00001 141 4XY 0.43755 -0.14170 -0.00003 -0.00001 0.06729 142 4XZ 0.00018 -0.00002 -0.00525 0.00150 0.00001 143 4YZ -0.42004 -0.02643 0.00002 0.00000 -0.05566 144 14 H 1S -0.00001 0.00001 -0.01613 -0.01380 0.00000 145 2S 0.00001 -0.00001 -0.03146 0.03777 0.00003 146 15 H 1S 0.00000 -0.00003 0.01827 -0.00060 -0.00003 147 2S 0.00001 0.00000 0.00343 0.02085 0.00004 148 16 C 1S 0.00975 0.00633 -0.00047 -0.00007 -0.01156 149 2S 0.22180 0.35135 -0.01021 -0.11040 0.10557 150 2PX -0.11651 -0.03334 0.00722 0.01627 -0.06534 151 2PY 0.02475 0.03895 0.00915 -0.01793 -0.01019 152 2PZ 0.31897 0.08797 -0.00421 0.00381 0.01748 153 3S -0.13626 -0.78889 -0.00368 0.12016 0.08422 154 3PX -0.42555 0.18349 -0.05066 -0.09730 -0.06618 155 3PY -0.58137 -0.45782 -0.07029 0.07224 0.11567 156 3PZ 0.93031 -0.12422 -0.01575 0.02079 0.25723 157 4XX -0.10233 -0.02236 0.01314 0.03951 -0.01522 158 4YY -0.26773 -0.39092 0.00340 0.00276 -0.09666 159 4ZZ 0.40939 0.32478 -0.01698 0.01208 0.01884 160 4XY -0.28825 0.12199 0.00084 -0.00569 -0.07828 161 4XZ -0.04211 -0.10545 -0.00260 0.00836 0.00072 162 4YZ 0.49070 -0.32654 0.00781 0.00236 0.04427 163 17 H 1S -0.04023 0.23217 -0.01444 -0.00312 0.04582 164 2S -0.06231 -0.23098 -0.02389 0.03830 0.05663 165 18 C 1S -0.00067 -0.00260 -0.00077 0.00293 -0.00954 166 2S -0.01549 -0.18555 -0.01092 0.00804 -0.01875 167 2PX -0.05382 0.00926 0.00756 0.00742 -0.01921 168 2PY 0.40005 -0.04879 0.00650 0.02078 0.06666 169 2PZ 0.23859 -0.01335 -0.00207 0.00543 0.02694 170 3S 0.43014 0.83727 0.03786 -0.06529 0.24872 171 3PX -0.10062 0.01310 0.00105 -0.01528 -0.03801 172 3PY 1.16473 0.25397 -0.01157 -0.05965 0.37104 173 3PZ 0.61373 -0.35659 -0.01653 0.06567 0.10531 174 4XX -0.03605 0.00822 0.00135 0.01786 -0.04061 175 4YY 0.71122 -0.20234 -0.00567 -0.00665 0.12660 176 4ZZ -0.63216 0.21185 0.01083 0.00347 -0.10384 177 4XY 0.10806 0.24421 0.00230 0.00231 -0.02079 178 4XZ 0.16555 -0.08651 -0.00822 -0.00753 0.03292 179 4YZ -0.26106 -0.81275 -0.00051 0.00633 -0.06192 180 19 H 1S -0.01976 -0.39597 -0.01040 -0.01603 0.00262 181 2S 0.04444 0.26192 0.00471 -0.01916 0.01690 182 20 C 1S -0.00976 -0.00632 -0.00047 -0.00007 0.01156 183 2S -0.22184 -0.35133 -0.01027 -0.11054 -0.10562 184 2PX 0.11650 0.03332 0.00723 0.01627 0.06535 185 2PY 0.02491 0.03899 -0.00915 0.01794 -0.01017 186 2PZ -0.31901 -0.08802 -0.00420 0.00380 -0.01746 187 3S 0.13615 0.78867 -0.00340 0.12056 -0.08435 188 3PX 0.42588 -0.18313 -0.05080 -0.09737 0.06604 189 3PY -0.58088 -0.45796 0.07023 -0.07248 0.11609 190 3PZ -0.93058 0.12409 -0.01557 0.02079 -0.25724 191 4XX 0.10270 0.02229 0.01313 0.03952 0.01532 192 4YY 0.26721 0.39112 0.00348 0.00286 0.09659 193 4ZZ -0.40928 -0.32492 -0.01702 0.01201 -0.01883 194 4XY -0.28842 0.12171 -0.00077 0.00575 -0.07828 195 4XZ 0.04171 0.10566 -0.00259 0.00839 -0.00076 196 4YZ 0.49094 -0.32624 -0.00794 -0.00243 0.04430 197 21 H 1S 0.04026 -0.23208 -0.01451 -0.00317 -0.04588 198 2S 0.06227 0.23097 -0.02385 0.03834 -0.05674 199 22 C 1S 0.00067 0.00259 -0.00076 0.00294 0.00954 200 2S 0.01550 0.18552 -0.01080 0.00816 0.01888 201 2PX 0.05357 -0.00922 0.00755 0.00742 0.01917 202 2PY 0.40015 -0.04876 -0.00653 -0.02077 0.06669 203 2PZ -0.23858 0.01331 -0.00206 0.00543 -0.02696 204 3S -0.42995 -0.83709 0.03743 -0.06588 -0.24879 205 3PX 0.09991 -0.01325 0.00104 -0.01527 0.03784 206 3PY 1.16495 0.25393 0.01158 0.05983 0.37097 207 3PZ -0.61362 0.35656 -0.01626 0.06588 -0.10525 208 4XX 0.03590 -0.00852 0.00136 0.01788 0.04061 209 4YY -0.71105 0.20283 -0.00559 -0.00665 -0.12662 210 4ZZ 0.63216 -0.21205 0.01070 0.00343 0.10380 211 4XY 0.10861 0.24403 -0.00224 -0.00223 -0.02065 212 4XZ -0.16538 0.08701 -0.00819 -0.00752 -0.03290 213 4YZ -0.26144 -0.81263 0.00032 -0.00653 -0.06197 214 23 H 1S 0.01973 0.39595 -0.01029 -0.01593 -0.00260 215 2S -0.04442 -0.26192 0.00462 -0.01925 -0.01686 201 202 203 204 205 V V V V V Eigenvalues -- 3.18202 3.25402 3.99327 4.03201 4.08894 1 1 C 1S 0.00267 -0.06138 0.14055 0.13658 -0.16048 2 2S -0.01213 0.07254 -0.84223 -0.57740 1.24607 3 2PX -0.08645 0.00494 -0.01046 -0.01423 0.01199 4 2PY 0.34560 0.16203 -0.00458 0.10764 0.09945 5 2PZ 0.09939 -0.02684 0.00862 0.01946 -0.01244 6 3S 0.80393 2.54429 -0.28084 -2.18493 0.30060 7 3PX -0.18047 0.70082 -0.17362 -0.61927 -0.29346 8 3PY 0.83411 0.72584 -0.26645 -0.84922 -0.41963 9 3PZ 0.23258 -0.74085 0.18193 0.61815 0.29095 10 4XX -0.19416 -0.30397 0.51103 0.43761 -0.65685 11 4YY 0.55194 0.39899 0.49231 0.53340 -0.65234 12 4ZZ -0.25561 -0.24435 0.49689 0.41618 -0.65766 13 4XY 0.16443 -0.36626 0.01125 0.02400 -0.01293 14 4XZ 0.23722 -0.00124 0.06941 0.10718 0.06387 15 4YZ -0.14905 0.46064 -0.01540 -0.04977 0.01698 16 2 C 1S -0.00066 0.05018 0.14161 0.16369 -0.07257 17 2S -0.03521 0.17471 -1.14919 -1.42531 0.14678 18 2PX -0.09128 -0.02468 0.02714 0.03067 0.01551 19 2PY -0.01787 -0.25333 -0.06507 -0.06597 0.09392 20 2PZ 0.08353 -0.03816 -0.01622 -0.01979 0.01805 21 3S 0.31527 -1.90886 -1.22024 -0.25135 -1.10399 22 3PX -0.04087 -0.04823 0.18313 0.21387 0.23512 23 3PY 0.14483 -1.12103 1.35675 1.95117 1.78223 24 3PZ 0.11142 -0.21990 0.02656 0.17159 0.09728 25 4XX -0.09975 -0.22285 0.61875 0.77291 -0.10748 26 4YY 0.05323 0.53940 0.71867 0.88488 -0.20954 27 4ZZ 0.07997 -0.22365 0.59605 0.72525 -0.11137 28 4XY -0.52592 0.04444 0.04862 0.06934 0.00025 29 4XZ 0.01207 0.44932 0.03280 -0.01656 -0.05365 30 4YZ 0.55642 0.00437 -0.01391 -0.00156 0.00060 31 3 C 1S 0.01458 -0.06011 0.03706 0.04316 -0.12874 32 2S 0.21119 -0.09401 -0.11882 0.09104 0.96132 33 2PX -0.09444 -0.06001 0.04495 0.07724 -0.01404 34 2PY -0.28131 0.10234 0.01392 0.01479 0.06828 35 2PZ 0.10441 0.01009 -0.01960 0.00069 0.02492 36 3S -1.56548 2.54471 -0.26013 -1.74546 0.14640 37 3PX -0.11841 -0.44224 0.14338 0.42259 0.31317 38 3PY -1.06742 0.88964 -0.13362 -0.74007 -0.33053 39 3PZ -0.06801 0.70607 -0.20082 -0.76134 -0.38260 40 4XX 0.25325 -0.16225 0.06719 0.03195 -0.52148 41 4YY -0.54789 0.39584 0.11003 0.05160 -0.49139 42 4ZZ 0.19904 -0.30320 0.09469 0.06364 -0.53591 43 4XY 0.12623 0.35088 -0.00932 -0.06410 0.02485 44 4XZ -0.21280 -0.02158 0.09112 0.13864 0.07396 45 4YZ -0.16385 -0.30528 0.03124 0.03250 0.00081 46 4 C 1S -0.01458 0.06011 0.03710 -0.04311 -0.12877 47 2S -0.21119 0.09400 -0.11878 -0.09139 0.96138 48 2PX 0.09460 0.05997 0.04502 -0.07722 -0.01403 49 2PY -0.28124 0.10241 -0.01391 0.01474 -0.06828 50 2PZ -0.10443 -0.01005 -0.01962 -0.00073 0.02491 51 3S 1.56549 -2.54470 -0.26146 1.74528 0.14713 52 3PX 0.11901 0.44178 0.14361 -0.42214 0.31272 53 3PY -1.06736 0.88995 0.13416 -0.74035 0.33032 54 3PZ 0.06783 -0.70583 -0.20140 0.76114 -0.38241 55 4XX -0.25341 0.16184 0.06720 -0.03168 -0.52151 56 4YY 0.54806 -0.39540 0.11014 -0.05147 -0.49146 57 4ZZ -0.19904 0.30318 0.09476 -0.06348 -0.53600 58 4XY 0.12570 0.35123 0.00934 -0.06404 -0.02488 59 4XZ 0.21291 0.02181 0.09126 -0.13861 0.07392 60 4YZ -0.16358 -0.30535 -0.03121 0.03240 -0.00074 61 5 C 1S 0.00066 -0.05017 0.14176 -0.16355 -0.07262 62 2S 0.03519 -0.17468 -1.15046 1.42430 0.14718 63 2PX 0.09131 0.02486 0.02711 -0.03059 0.01557 64 2PY -0.01782 -0.25330 0.06515 -0.06591 -0.09393 65 2PZ -0.08352 0.03818 -0.01623 0.01978 0.01805 66 3S -0.31526 1.90872 -1.22069 0.25061 -1.10409 67 3PX 0.04077 0.04908 0.18437 -0.21523 0.23647 68 3PY 0.14479 -1.12084 -1.35834 1.95025 -1.78144 69 3PZ -0.11137 0.21983 0.02668 -0.17161 0.09720 70 4XX 0.10043 0.22285 0.61949 -0.77245 -0.10769 71 4YY -0.05392 -0.53933 0.71940 -0.88413 -0.20979 72 4ZZ -0.07996 0.22358 0.59669 -0.72471 -0.11159 73 4XY -0.52581 0.04506 -0.04876 0.06941 -0.00016 74 4XZ -0.01247 -0.44928 0.03278 0.01660 -0.05364 75 4YZ 0.55636 0.00402 0.01393 -0.00151 -0.00063 76 6 C 1S -0.00267 0.06137 0.14066 -0.13641 -0.16052 77 2S 0.01212 -0.07254 -0.84272 0.57635 1.24618 78 2PX 0.08621 -0.00504 -0.01048 0.01415 0.01206 79 2PY 0.34565 0.16205 0.00448 0.10768 -0.09942 80 2PZ -0.09937 0.02684 0.00863 -0.01944 -0.01245 81 3S -0.80397 -2.54415 -0.28258 2.18458 0.30144 82 3PX 0.17988 -0.70128 -0.17430 0.61977 -0.29351 83 3PY 0.83424 0.72534 0.26707 -0.84864 0.41916 84 3PZ -0.23253 0.74085 0.18242 -0.61808 0.29066 85 4XX 0.19397 0.30441 0.51140 -0.43702 -0.65698 86 4YY -0.55173 -0.39945 0.49275 -0.53277 -0.65244 87 4ZZ 0.25560 0.24435 0.49725 -0.41559 -0.65775 88 4XY 0.16502 -0.36569 -0.01125 0.02408 0.01294 89 4XZ -0.23711 0.00091 0.06949 -0.10711 0.06385 90 4YZ -0.14925 0.46060 0.01549 -0.04982 -0.01696 91 7 H 1S -0.00716 0.24929 -0.07862 -0.07981 0.04557 92 2S 0.01103 0.11185 -0.05449 -0.19025 -0.38372 93 8 H 1S 0.02227 0.18494 -0.01873 -0.04041 0.01852 94 2S -0.06471 0.07483 -0.06145 -0.23368 -0.33914 95 9 H 1S -0.02227 -0.18493 -0.01875 0.04039 0.01854 96 2S 0.06469 -0.07476 -0.06158 0.23366 -0.33905 97 10 H 1S 0.00716 -0.24929 -0.07869 0.07973 0.04559 98 2S -0.01104 -0.11185 -0.05464 0.19030 -0.38363 99 11 O 1S -0.00025 -0.01563 -0.24855 -0.24660 -0.27772 100 2S 0.01224 -0.11219 -0.31563 -0.32548 -0.32055 101 2PX -0.00169 -0.03426 -0.02616 -0.02626 -0.01143 102 2PY -0.00067 -0.22011 -0.19690 -0.21143 -0.08392 103 2PZ 0.00356 -0.02531 -0.01943 -0.01809 -0.00752 104 3S -0.01616 -0.10187 3.39232 3.46740 3.99376 105 3PX -0.23046 -0.02081 0.10416 0.10175 0.14052 106 3PY -0.02782 -0.03362 0.70857 0.64990 0.95810 107 3PZ 0.21939 0.02481 0.08136 0.05657 0.09246 108 4XX -0.07762 -0.03514 -0.84381 -0.82295 -0.95315 109 4YY -0.00250 -0.27040 -0.77857 -0.81827 -0.71760 110 4ZZ 0.06981 -0.01619 -0.84352 -0.82877 -0.95385 111 4XY -0.34303 -0.05241 0.02019 0.01507 0.04617 112 4XZ 0.01616 -0.08371 0.00925 0.01715 0.03739 113 4YZ 0.34651 -0.00802 0.00969 -0.00138 0.02056 114 12 O 1S 0.00025 0.01563 -0.24880 0.24647 -0.27766 115 2S -0.01226 0.11220 -0.31594 0.32528 -0.32046 116 2PX 0.00169 0.03443 -0.02634 0.02639 -0.01148 117 2PY -0.00068 -0.22007 0.19709 -0.21128 0.08386 118 2PZ -0.00356 0.02531 -0.01945 0.01807 -0.00751 119 3S 0.01621 0.10182 3.39575 -3.46560 3.99295 120 3PX 0.23050 0.02081 0.10478 -0.10215 0.14118 121 3PY -0.02768 -0.03359 -0.70915 0.64947 -0.95786 122 3PZ -0.21938 -0.02479 0.08143 -0.05653 0.09246 123 4XX 0.07807 0.03518 -0.84463 0.82252 -0.95292 124 4YY 0.00210 0.27030 -0.77941 0.81786 -0.71747 125 4ZZ -0.06982 0.01619 -0.84438 0.82835 -0.95367 126 4XY -0.34299 -0.05261 -0.02026 0.01507 -0.04637 127 4XZ -0.01640 0.08372 0.00928 -0.01715 0.03740 128 4YZ 0.34646 -0.00798 -0.00968 -0.00139 -0.02054 129 13 C 1S 0.00000 0.00000 -0.01460 -0.00002 0.07363 130 2S -0.00001 0.00000 0.00297 0.00006 -0.29219 131 2PX -0.00001 0.00000 -0.01115 -0.00001 -0.01787 132 2PY 0.02107 0.00553 -0.00001 0.01717 0.00000 133 2PZ 0.00001 0.00000 -0.02239 -0.00001 -0.01912 134 3S 0.00006 -0.00006 0.40159 0.00026 -0.46619 135 3PX -0.00002 0.00000 0.03130 0.00002 0.22633 136 3PY -0.01232 0.06938 0.00008 -0.13168 0.00007 137 3PZ 0.00003 -0.00003 0.23259 0.00014 -0.01283 138 4XX -0.00002 0.00003 -0.01918 -0.00004 0.23985 139 4YY 0.00002 -0.00002 -0.06550 -0.00010 0.23609 140 4ZZ 0.00001 0.00000 -0.03811 -0.00005 0.22487 141 4XY 0.02138 -0.03735 0.00002 -0.02148 0.00000 142 4XZ -0.00001 0.00000 0.00854 -0.00002 0.03582 143 4YZ -0.00292 0.01556 0.00000 0.02735 0.00003 144 14 H 1S 0.00000 0.00000 -0.06305 -0.00002 -0.03613 145 2S 0.00000 0.00000 -0.03063 -0.00002 -0.00757 146 15 H 1S -0.00001 0.00001 0.01848 0.00001 0.01237 147 2S 0.00001 -0.00002 0.03560 0.00004 0.05912 148 16 C 1S -0.00562 0.01334 0.04473 0.08291 0.05877 149 2S -0.03427 -0.02274 -0.31479 -0.56160 -0.41452 150 2PX -0.01595 0.03211 0.03073 0.01286 0.00753 151 2PY -0.01900 0.00913 -0.00300 0.00876 0.01944 152 2PZ -0.00170 0.00733 -0.06466 -0.06446 0.04775 153 3S 0.16939 -0.27142 -0.17517 -0.25634 -0.06900 154 3PX -0.02372 0.08898 -0.12222 -0.09625 -0.04079 155 3PY 0.22673 -0.15953 -0.12363 -0.14398 0.12444 156 3PZ 0.02762 -0.18614 -0.00027 0.08805 0.01397 157 4XX -0.00387 0.00970 0.18998 0.37035 0.21989 158 4YY -0.01399 0.05259 0.18582 0.30101 0.24923 159 4ZZ 0.00549 0.01813 0.09363 0.28287 0.28518 160 4XY -0.02578 0.03690 -0.00806 0.00233 -0.02458 161 4XZ 0.01554 -0.00916 0.02556 0.02675 -0.03644 162 4YZ -0.01954 -0.01387 -0.03011 -0.01501 0.04091 163 17 H 1S 0.02834 -0.01908 -0.03667 -0.04257 -0.02748 164 2S 0.06045 -0.05689 0.00681 0.02591 0.10733 165 18 C 1S 0.00028 0.00213 0.14902 0.09848 -0.07401 166 2S 0.01358 -0.00668 -1.04723 -0.78304 0.49518 167 2PX -0.00117 0.00199 0.03724 0.02859 -0.01172 168 2PY -0.00723 -0.01027 -0.02914 0.09662 0.05671 169 2PZ 0.00281 -0.00634 -0.01542 0.02037 0.05742 170 3S -0.25213 0.15486 -0.23736 -0.06577 0.18064 171 3PX -0.02749 0.05680 -0.03583 -0.09081 0.00848 172 3PY -0.13721 -0.08542 -0.01777 0.11545 -0.06936 173 3PZ 0.06768 -0.16478 -0.03033 -0.11017 0.02312 174 4XX -0.00135 0.00773 0.58408 0.38510 -0.28582 175 4YY -0.02592 -0.02076 0.53984 0.51662 -0.27410 176 4ZZ 0.01179 0.02738 0.63033 0.41985 -0.34889 177 4XY 0.00034 0.01398 0.00357 -0.01338 0.00838 178 4XZ 0.00298 -0.00990 -0.01554 -0.00429 0.00278 179 4YZ -0.00798 0.01808 -0.00242 -0.03445 -0.02503 180 19 H 1S -0.01019 0.00378 -0.10316 -0.08296 0.01596 181 2S -0.02534 0.02256 0.12717 0.14423 -0.06636 182 20 C 1S 0.00562 -0.01334 0.04480 -0.08288 0.05873 183 2S 0.03426 0.02276 -0.31529 0.56145 -0.41434 184 2PX 0.01596 -0.03212 0.03075 -0.01284 0.00755 185 2PY -0.01900 0.00913 0.00302 0.00875 -0.01946 186 2PZ 0.00170 -0.00733 -0.06470 0.06438 0.04782 187 3S -0.16944 0.27145 -0.17526 0.25614 -0.06865 188 3PX 0.02356 -0.08885 -0.12248 0.09628 -0.04082 189 3PY 0.22689 -0.15975 0.12363 -0.14370 -0.12459 190 3PZ -0.02759 0.18614 -0.00006 -0.08815 0.01401 191 4XX 0.00390 -0.00975 0.19027 -0.37024 0.21970 192 4YY 0.01398 -0.05255 0.18607 -0.30090 0.24915 193 4ZZ -0.00550 -0.01813 0.09389 -0.28291 0.28508 194 4XY -0.02576 0.03690 0.00808 0.00226 0.02459 195 4XZ -0.01553 0.00917 0.02555 -0.02669 -0.03643 196 4YZ -0.01955 -0.01388 0.03013 -0.01497 -0.04097 197 21 H 1S -0.02837 0.01911 -0.03672 0.04254 -0.02748 198 2S -0.06048 0.05693 0.00688 -0.02597 0.10736 199 22 C 1S -0.00028 -0.00213 0.14908 -0.09828 -0.07409 200 2S -0.01354 0.00665 -1.04766 0.78169 0.49583 201 2PX 0.00118 -0.00199 0.03724 -0.02861 -0.01171 202 2PY -0.00722 -0.01027 0.02911 0.09665 -0.05666 203 2PZ -0.00282 0.00635 -0.01539 -0.02041 0.05742 204 3S 0.25213 -0.15486 -0.23761 0.06550 0.18058 205 3PX 0.02758 -0.05676 -0.03590 0.09070 0.00851 206 3PY -0.13722 -0.08545 0.01766 0.11554 0.06935 207 3PZ -0.06772 0.16479 -0.03026 0.11015 0.02336 208 4XX 0.00134 -0.00774 0.58431 -0.38432 -0.28611 209 4YY 0.02591 0.02078 0.54014 -0.51592 -0.27455 210 4ZZ -0.01180 -0.02738 0.63057 -0.41902 -0.34926 211 4XY 0.00032 0.01395 -0.00351 -0.01331 -0.00839 212 4XZ -0.00298 0.00990 -0.01554 0.00428 0.00277 213 4YZ -0.00797 0.01809 0.00241 -0.03447 0.02504 214 23 H 1S 0.01020 -0.00378 -0.10320 0.08282 0.01603 215 2S 0.02536 -0.02258 0.12723 -0.14407 -0.06648 206 207 208 209 210 V V V V V Eigenvalues -- 4.18673 4.25667 4.30665 4.35425 4.36559 1 1 C 1S -0.21634 -0.03741 -0.11795 0.17030 -0.23455 2 2S 1.29795 0.24839 0.69804 -0.85646 1.39677 3 2PX -0.05550 -0.00017 -0.05694 0.03608 -0.04164 4 2PY 0.05155 -0.00166 0.05548 0.11035 -0.24382 5 2PZ 0.04071 -0.03627 0.07128 -0.03633 0.04366 6 3S 0.72965 -0.02816 0.57132 -1.99163 0.20266 7 3PX 0.13910 -0.04712 0.10728 -0.40427 -0.34335 8 3PY 0.03511 -0.02133 -0.04093 -0.46595 -0.51726 9 3PZ -0.13672 0.07624 -0.11945 0.46697 0.25978 10 4XX -0.84445 -0.13637 -0.47928 0.63052 -0.90616 11 4YY -0.77333 -0.13475 -0.43790 0.77679 -1.19819 12 4ZZ -0.85028 -0.12530 -0.50511 0.62181 -0.89408 13 4XY 0.01476 -0.02761 0.04400 -0.04548 0.00953 14 4XZ -0.00009 -0.00927 0.03832 0.00137 0.04863 15 4YZ -0.01220 0.04212 -0.05425 0.01992 -0.02943 16 2 C 1S 0.01108 -0.12863 0.18781 -0.01403 -0.07680 17 2S -0.05347 0.73196 -1.09010 0.02168 -0.08196 18 2PX -0.08106 -0.00003 -0.02179 0.09140 -0.00425 19 2PY -0.00389 0.06330 -0.06032 0.03804 0.06806 20 2PZ 0.06019 -0.02586 0.02837 -0.03056 0.04065 21 3S 0.21621 0.15930 -0.81786 -0.71657 -0.99347 22 3PX 0.14090 0.03623 0.02150 -0.35884 0.37172 23 3PY -0.41232 0.24014 -0.08620 1.17127 2.37267 24 3PZ -0.12430 0.13089 -0.05085 0.41959 0.13816 25 4XX 0.03122 -0.46022 0.72083 0.00021 -0.06581 26 4YY 0.02728 -0.58614 0.85077 -0.05731 -0.20362 27 4ZZ 0.05527 -0.44552 0.73420 -0.04081 -0.05489 28 4XY -0.09635 -0.01262 -0.01515 0.06589 -0.05473 29 4XZ -0.02382 -0.01404 -0.04870 0.03383 -0.12424 30 4YZ 0.09443 -0.03582 0.07204 -0.07229 0.03727 31 3 C 1S 0.17946 -0.10844 0.09232 -0.14880 -0.05855 32 2S -1.06202 0.69979 -0.26017 0.94658 0.48429 33 2PX -0.00045 -0.03439 0.04945 0.00363 0.03869 34 2PY -0.05574 0.02101 0.02888 -0.09809 -0.08667 35 2PZ 0.02210 -0.02310 0.00805 -0.01816 0.01295 36 3S -0.66833 0.19732 -0.37291 0.40638 -1.03396 37 3PX -0.04472 -0.03121 -0.18858 -0.18803 0.29648 38 3PY 0.18205 -0.08192 -0.04531 -0.50719 -0.68471 39 3PZ 0.04302 0.01209 -0.08633 -0.13371 -0.62536 40 4XX 0.71270 -0.44840 0.22580 -0.61493 -0.24175 41 4YY 0.61750 -0.38522 0.25226 -0.68944 -0.35697 42 4ZZ 0.70330 -0.40181 0.29243 -0.60757 -0.25470 43 4XY 0.01666 0.02780 -0.04850 0.00586 -0.00567 44 4XZ -0.00154 -0.03006 0.00774 -0.01761 0.03817 45 4YZ -0.00574 -0.04008 0.03702 -0.00909 -0.02553 46 4 C 1S 0.17946 -0.10839 0.09234 0.14880 0.05852 47 2S -1.06200 0.69927 -0.26023 -0.94661 -0.48412 48 2PX -0.00048 -0.03438 0.04946 -0.00357 -0.03864 49 2PY 0.05574 -0.02107 -0.02887 -0.09809 -0.08672 50 2PZ 0.02210 -0.02311 0.00806 0.01815 -0.01298 51 3S -0.66843 0.19780 -0.37311 -0.40620 1.03413 52 3PX -0.04452 -0.03149 -0.18854 0.18846 -0.29606 53 3PY -0.18204 0.08169 0.04526 -0.50703 -0.68490 54 3PZ 0.04304 0.01244 -0.08641 0.13366 0.62524 55 4XX 0.71271 -0.44809 0.22577 0.61493 0.24164 56 4YY 0.61748 -0.38492 0.25237 0.68946 0.35686 57 4ZZ 0.70329 -0.40157 0.29250 0.60756 0.25456 58 4XY -0.01659 -0.02785 0.04849 0.00584 -0.00570 59 4XZ -0.00154 -0.03011 0.00777 0.01765 -0.03814 60 4YZ 0.00572 0.04007 -0.03701 -0.00906 -0.02553 61 5 C 1S 0.01108 -0.12862 0.18780 0.01408 0.07684 62 2S -0.05350 0.73204 -1.09007 -0.02198 0.08169 63 2PX -0.08106 0.00000 -0.02184 -0.09141 0.00421 64 2PY 0.00383 -0.06332 0.06031 0.03798 0.06807 65 2PZ 0.06019 -0.02584 0.02836 0.03056 -0.04066 66 3S 0.21602 0.15875 -0.81758 0.71599 0.99324 67 3PX 0.14063 0.03631 0.02147 0.35797 -0.37345 68 3PY 0.41223 -0.23977 0.08634 1.17119 2.37227 69 3PZ -0.12435 0.13090 -0.05085 -0.41960 -0.13817 70 4XX 0.03111 -0.46025 0.72078 -0.00009 0.06605 71 4YY 0.02742 -0.58618 0.85077 0.05763 0.20375 72 4ZZ 0.05530 -0.44552 0.73417 0.04103 0.05508 73 4XY 0.09636 0.01276 0.01505 0.06583 -0.05486 74 4XZ -0.02375 -0.01405 -0.04865 -0.03378 0.12419 75 4YZ -0.09444 0.03579 -0.07207 -0.07232 0.03735 76 6 C 1S -0.21634 -0.03745 -0.11797 -0.17029 0.23453 77 2S 1.29799 0.24856 0.69815 0.85642 -1.39664 78 2PX -0.05546 -0.00017 -0.05691 -0.03615 0.04180 79 2PY -0.05159 0.00169 -0.05550 0.11031 -0.24381 80 2PZ 0.04071 -0.03627 0.07128 0.03634 -0.04365 81 3S 0.72959 -0.02743 0.57151 1.99166 -0.20259 82 3PX 0.13911 -0.04695 0.10726 0.40455 0.34370 83 3PY -0.03490 0.02103 0.04090 -0.46556 -0.51697 84 3PZ -0.13670 0.07605 -0.11946 -0.46695 -0.25977 85 4XX -0.84445 -0.13654 -0.47931 -0.63042 0.90608 86 4YY -0.77338 -0.13487 -0.43805 -0.77682 1.19813 87 4ZZ -0.85030 -0.12543 -0.50518 -0.62178 0.89399 88 4XY -0.01481 0.02761 -0.04404 -0.04537 0.00929 89 4XZ -0.00009 -0.00925 0.03828 -0.00137 -0.04859 90 4YZ 0.01221 -0.04212 0.05428 0.01992 -0.02943 91 7 H 1S 0.09347 0.02987 0.03112 -0.06617 0.04692 92 2S -0.09962 -0.07628 -0.04638 -0.03172 -0.38751 93 8 H 1S -0.03721 0.04855 -0.03491 0.03245 -0.01024 94 2S 0.22427 -0.05837 0.10831 -0.24491 -0.29523 95 9 H 1S -0.03721 0.04854 -0.03493 -0.03247 0.01024 96 2S 0.22429 -0.05819 0.10829 0.24484 0.29515 97 10 H 1S 0.09347 0.02990 0.03112 0.06616 -0.04692 98 2S -0.09965 -0.07623 -0.04638 0.03169 0.38747 99 11 O 1S 0.05096 -0.01573 -0.02039 -0.13699 -0.26923 100 2S 0.08745 -0.00059 -0.04881 -0.25977 -0.44332 101 2PX 0.00300 0.01936 -0.01948 -0.02040 -0.01283 102 2PY 0.02290 0.07148 -0.10847 -0.05325 -0.07383 103 2PZ 0.01219 0.01232 -0.00660 -0.00716 -0.00779 104 3S -0.80770 0.32540 0.23294 2.29176 4.41194 105 3PX -0.06564 -0.00670 0.00154 0.20104 0.14234 106 3PY -0.19043 0.15655 -0.05461 0.57640 1.09050 107 3PZ -0.02322 -0.02019 0.00010 0.01115 0.11192 108 4XX 0.16660 -0.06177 -0.05228 -0.45635 -0.92341 109 4YY 0.14154 0.06077 -0.19750 -0.34380 -0.65735 110 4ZZ 0.17282 -0.06614 -0.05618 -0.47516 -0.92285 111 4XY -0.02574 0.00831 -0.02157 0.06214 0.03371 112 4XZ -0.00416 0.00318 0.01426 0.01385 0.05096 113 4YZ 0.00192 -0.00073 -0.00976 0.00038 0.02433 114 12 O 1S 0.05093 -0.01573 -0.02036 0.13694 0.26922 115 2S 0.08741 -0.00058 -0.04877 0.25967 0.44329 116 2PX 0.00301 0.01941 -0.01956 0.02042 0.01289 117 2PY -0.02288 -0.07147 0.10844 -0.05319 -0.07379 118 2PZ 0.01219 0.01232 -0.00660 0.00716 0.00779 119 3S -0.80729 0.32530 0.23254 -2.29091 -4.41170 120 3PX -0.06576 -0.00657 0.00147 -0.20141 -0.14314 121 3PY 0.19029 -0.15658 0.05471 0.57606 1.09036 122 3PZ -0.02320 -0.02020 0.00010 -0.01114 -0.11194 123 4XX 0.16648 -0.06175 -0.05222 0.45611 0.92332 124 4YY 0.14150 0.06080 -0.19741 0.34371 0.65732 125 4ZZ 0.17273 -0.06613 -0.05610 0.47499 0.92280 126 4XY 0.02576 -0.00842 0.02170 0.06222 0.03393 127 4XZ -0.00416 0.00318 0.01425 -0.01385 -0.05097 128 4YZ -0.00193 0.00072 0.00978 0.00037 0.02431 129 13 C 1S 0.06583 -0.27619 -0.31384 0.00008 0.00000 130 2S -0.45784 1.41028 1.66249 -0.00039 -0.00002 131 2PX 0.02048 0.04257 0.06764 -0.00002 -0.00001 132 2PY 0.00001 0.00001 0.00001 -0.02114 0.01658 133 2PZ -0.00686 -0.04604 -0.03203 0.00001 -0.00001 134 3S -0.03557 1.09401 1.42555 -0.00037 -0.00002 135 3PX -0.10961 0.03678 -0.07947 -0.00001 0.00008 136 3PY -0.00004 0.00004 0.00001 0.13102 -0.16537 137 3PZ 0.03409 0.09746 -0.07808 0.00002 0.00004 138 4XX 0.28177 -1.05601 -1.17578 0.00028 0.00003 139 4YY 0.20750 -0.98929 -1.14163 0.00034 -0.00001 140 4ZZ 0.27491 -0.98149 -1.19974 0.00029 0.00002 141 4XY 0.00003 -0.00001 -0.00001 0.05159 -0.02912 142 4XZ 0.03608 -0.05741 -0.00410 0.00004 -0.00001 143 4YZ 0.00000 -0.00003 0.00000 -0.07171 0.01971 144 14 H 1S -0.05270 0.07214 0.09174 -0.00002 -0.00001 145 2S 0.13905 -0.31674 -0.26565 0.00007 -0.00001 146 15 H 1S -0.04260 0.07046 0.07091 -0.00001 0.00000 147 2S 0.05446 -0.18950 -0.34981 0.00008 0.00004 148 16 C 1S 0.09625 -0.12487 -0.11595 -0.18302 0.06542 149 2S -0.62541 0.63167 0.40708 0.76967 -0.43619 150 2PX -0.00873 0.04390 0.05774 0.04058 0.00130 151 2PY -0.00776 -0.03982 0.00330 -0.04582 0.04548 152 2PZ -0.04915 -0.10534 -0.00457 0.05628 0.04376 153 3S -0.17607 0.79723 0.45989 1.04391 -0.32644 154 3PX -0.06544 -0.08567 -0.22903 -0.12996 -0.13410 155 3PY -0.04905 0.25624 0.12501 0.41459 -0.08120 156 3PZ 0.01248 0.27023 0.12896 0.08856 0.09602 157 4XX 0.39292 -0.45539 -0.33340 -0.68200 0.27418 158 4YY 0.38602 -0.40647 -0.35591 -0.60405 0.27056 159 4ZZ 0.30687 -0.56207 -0.33050 -0.57508 0.33110 160 4XY -0.02997 0.07907 0.07723 -0.02500 -0.01493 161 4XZ 0.02873 -0.00871 -0.03988 -0.03495 -0.03400 162 4YZ -0.00993 -0.11225 -0.05123 0.04219 0.04136 163 17 H 1S -0.06392 0.07212 0.06726 0.05777 -0.03381 164 2S 0.06514 -0.01165 -0.03599 0.01672 0.06319 165 18 C 1S 0.16491 0.21990 -0.10794 -0.19152 -0.08619 166 2S -1.02930 -1.10240 0.71612 1.06071 0.64280 167 2PX -0.03207 -0.00210 0.01567 0.04456 -0.01498 168 2PY -0.03657 -0.03311 0.02519 -0.13673 -0.06047 169 2PZ -0.00668 -0.12486 0.01614 0.02139 0.06629 170 3S -0.43745 -1.14126 0.03838 0.66169 0.20351 171 3PX 0.07252 -0.04702 -0.04433 -0.16088 0.05766 172 3PY 0.05948 -0.05269 -0.03081 0.12381 -0.02240 173 3PZ -0.01474 0.40597 0.11239 0.13574 0.00848 174 4XX 0.64573 0.83369 -0.41586 -0.72193 -0.33283 175 4YY 0.58443 0.72077 -0.40996 -0.88524 -0.49239 176 4ZZ 0.63234 0.87193 -0.42482 -0.67164 -0.42875 177 4XY -0.00621 -0.02357 -0.02308 -0.02640 0.01149 178 4XZ 0.00157 -0.01753 0.01494 -0.02877 0.01935 179 4YZ -0.00929 0.04793 0.04854 0.00522 -0.01927 180 19 H 1S -0.04544 -0.07486 0.07397 0.03015 0.04872 181 2S 0.14909 0.06056 -0.13907 -0.17465 -0.06561 182 20 C 1S 0.09627 -0.12478 -0.11591 0.18308 -0.06540 183 2S -0.62547 0.63123 0.40688 -0.76990 0.43611 184 2PX -0.00873 0.04386 0.05773 -0.04057 -0.00133 185 2PY 0.00777 0.03986 -0.00327 -0.04586 0.04548 186 2PZ -0.04917 -0.10537 -0.00456 -0.05626 -0.04377 187 3S -0.17614 0.79679 0.45978 -1.04435 0.32630 188 3PX -0.06547 -0.08546 -0.22900 0.12978 0.13417 189 3PY 0.04900 -0.25612 -0.12526 0.41490 -0.08105 190 3PZ 0.01251 0.27012 0.12899 -0.08865 -0.09612 191 4XX 0.39293 -0.45496 -0.33318 0.68222 -0.27410 192 4YY 0.38609 -0.40629 -0.35589 0.60418 -0.27052 193 4ZZ 0.30690 -0.56176 -0.33032 0.57531 -0.33106 194 4XY 0.02998 -0.07913 -0.07722 -0.02489 -0.01495 195 4XZ 0.02872 -0.00878 -0.03994 0.03492 0.03397 196 4YZ 0.00997 0.11229 0.05118 0.04216 0.04140 197 21 H 1S -0.06392 0.07208 0.06728 -0.05781 0.03380 198 2S 0.06518 -0.01168 -0.03591 -0.01677 -0.06320 199 22 C 1S 0.16493 0.21999 -0.10795 0.19143 0.08621 200 2S -1.02945 -1.10295 0.71625 -1.06038 -0.64291 201 2PX -0.03208 -0.00213 0.01566 -0.04446 0.01502 202 2PY 0.03653 0.03306 -0.02518 -0.13678 -0.06047 203 2PZ -0.00667 -0.12487 0.01615 -0.02136 -0.06631 204 3S -0.43756 -1.14154 0.03825 -0.66104 -0.20342 205 3PX 0.07253 -0.04701 -0.04430 0.16079 -0.05764 206 3PY -0.05937 0.05266 0.03080 0.12395 -0.02231 207 3PZ -0.01476 0.40594 0.11247 -0.13596 -0.00849 208 4XX 0.64581 0.83401 -0.41593 0.72165 0.33289 209 4YY 0.58453 0.72125 -0.40998 0.88495 0.49246 210 4ZZ 0.63243 0.87226 -0.42492 0.67134 0.42884 211 4XY 0.00625 0.02365 0.02307 -0.02654 0.01136 212 4XZ 0.00156 -0.01748 0.01499 0.02876 -0.01934 213 4YZ 0.00928 -0.04798 -0.04853 0.00531 -0.01927 214 23 H 1S -0.04545 -0.07489 0.07399 -0.03015 -0.04875 215 2S 0.14910 0.06063 -0.13910 0.17463 0.06561 211 212 213 214 215 V V V V V Eigenvalues -- 4.52481 4.54471 4.63820 4.66215 4.94530 1 1 C 1S 0.07991 -0.05078 -0.13724 0.02353 -0.07459 2 2S -0.40380 0.32743 0.61301 -0.12716 0.23571 3 2PX 0.04452 -0.01618 -0.05580 -0.00242 -0.00071 4 2PY -0.01745 -0.00390 -0.08564 0.00673 -0.01991 5 2PZ -0.04164 0.03692 0.04633 -0.02297 0.00252 6 3S -0.51087 0.77021 1.57385 -0.22251 3.90352 7 3PX -0.23389 0.21924 0.35684 -0.27099 1.14138 8 3PY -0.14099 -0.01906 0.30095 -0.42196 1.67399 9 3PZ 0.21218 -0.21573 -0.35785 0.29184 -1.08945 10 4XX 0.30760 -0.20271 -0.49328 0.10037 -0.22517 11 4YY 0.29328 -0.29073 -0.63061 0.11856 -0.35062 12 4ZZ 0.32879 -0.24999 -0.51085 0.09183 -0.26438 13 4XY -0.02843 0.06138 0.04920 -0.03476 0.05950 14 4XZ -0.00992 0.05485 0.02523 -0.00190 0.02317 15 4YZ 0.04777 -0.07825 -0.04199 0.06775 -0.10661 16 2 C 1S -0.15595 0.20905 0.08320 -0.16017 0.25799 17 2S 0.71508 -0.89347 -0.44222 0.55723 -0.63380 18 2PX -0.01217 0.01435 0.01806 0.00565 -0.03573 19 2PY 0.04976 -0.03900 -0.00534 0.08424 -0.06615 20 2PZ 0.01637 0.04230 -0.00403 0.04156 -0.02001 21 3S 0.45251 -0.07612 -1.12170 -0.02624 -2.22330 22 3PX 0.18340 0.12388 0.07022 0.55423 -0.89467 23 3PY 0.98380 -0.63167 -0.04646 2.28266 -4.38013 24 3PZ 0.06073 -0.39152 0.01146 -0.06286 -0.14226 25 4XX -0.57609 0.70946 0.35188 -0.53236 0.78571 26 4YY -0.67806 0.89315 0.35650 -0.66426 0.97031 27 4ZZ -0.58207 0.70854 0.35567 -0.55094 0.83301 28 4XY -0.04570 -0.00360 -0.01040 -0.06693 0.05267 29 4XZ 0.08297 0.03010 -0.06691 0.10462 -0.11025 30 4YZ -0.00758 0.09582 0.03852 0.04471 -0.03405 31 3 C 1S 0.11055 0.25072 0.00760 0.24959 -0.31071 32 2S -0.59777 -0.79584 0.38180 -0.78100 0.65516 33 2PX 0.00113 0.01008 0.01018 -0.03737 -0.02912 34 2PY -0.01653 0.12512 -0.01843 0.01350 -0.03957 35 2PZ 0.04890 0.07839 -0.02151 0.11408 -0.11208 36 3S -0.66679 -2.61090 -0.78821 -2.09634 7.49735 37 3PX 0.15710 -0.00366 -0.58459 0.24162 -0.74300 38 3PY -0.13137 -0.42563 -0.21805 -0.16873 2.01683 39 3PZ -0.15243 -0.59591 -0.11313 -0.78275 2.05071 40 4XX 0.46102 0.75771 -0.14447 0.82187 -0.92969 41 4YY 0.39827 0.96345 -0.08561 0.77309 -1.15282 42 4ZZ 0.46884 0.79785 -0.09832 0.86261 -0.94197 43 4XY 0.04541 -0.07054 -0.02904 0.09028 -0.09182 44 4XZ -0.00231 0.04440 -0.02139 -0.05280 0.03203 45 4YZ -0.04815 -0.00123 0.00707 -0.01105 0.12810 46 4 C 1S 0.11042 -0.25081 -0.00737 0.24964 0.31067 47 2S -0.59739 0.79625 -0.38259 -0.78090 -0.65505 48 2PX 0.00111 -0.01014 -0.01019 -0.03738 0.02912 49 2PY 0.01658 0.12512 -0.01843 -0.01354 -0.03955 50 2PZ 0.04885 -0.07840 0.02161 0.11405 0.11203 51 3S -0.66519 2.61156 0.78623 -2.09720 -7.49701 52 3PX 0.15685 0.00377 0.58494 0.24078 0.74194 53 3PY 0.13132 -0.42573 -0.21769 0.16896 2.01742 54 3PZ -0.15186 0.59594 0.11246 -0.78276 -2.05003 55 4XX 0.46071 -0.75796 0.14530 0.82203 0.92964 56 4YY 0.39770 -0.96382 0.08633 0.77316 1.15255 57 4ZZ 0.46843 -0.79822 0.09915 0.86265 0.94191 58 4XY -0.04542 -0.07040 -0.02910 -0.09024 -0.09197 59 4XZ -0.00238 -0.04438 0.02134 -0.05288 -0.03210 60 4YZ 0.04812 -0.00133 0.00709 0.01099 0.12808 61 5 C 1S -0.15608 -0.20893 -0.08336 -0.16014 -0.25795 62 2S 0.71570 0.89292 0.44278 0.55707 0.63371 63 2PX -0.01215 -0.01429 -0.01806 0.00573 0.03577 64 2PY -0.04978 -0.03898 -0.00542 -0.08425 -0.06612 65 2PZ 0.01634 -0.04229 0.00406 0.04156 0.02000 66 3S 0.45271 0.07530 1.12203 -0.02730 2.22309 67 3PX 0.18387 -0.12367 -0.06964 0.55605 0.89777 68 3PY -0.98366 -0.63144 -0.04839 -2.28207 -4.37857 69 3PZ 0.06109 0.39147 -0.01152 -0.06286 0.14217 70 4XX -0.57663 -0.70899 -0.35240 -0.53230 -0.78567 71 4YY -0.67856 -0.89263 -0.35715 -0.66404 -0.97008 72 4ZZ -0.58253 -0.70808 -0.35621 -0.55079 -0.83284 73 4XY 0.04579 -0.00348 -0.01034 0.06708 0.05280 74 4XZ 0.08296 -0.03022 0.06698 0.10464 0.11026 75 4YZ 0.00770 0.09581 0.03852 -0.04465 -0.03397 76 6 C 1S 0.07995 0.05073 0.13727 0.02343 0.07457 77 2S -0.40406 -0.32718 -0.61318 -0.12680 -0.23570 78 2PX 0.04452 0.01616 0.05586 -0.00246 0.00072 79 2PY 0.01747 -0.00390 -0.08561 -0.00667 -0.01988 80 2PZ -0.04167 -0.03690 -0.04636 -0.02294 -0.00253 81 3S -0.51118 -0.76988 -1.57411 -0.22088 -3.90323 82 3PX -0.23408 -0.21910 -0.35731 -0.27087 -1.14235 83 3PY 0.14056 -0.01923 0.30105 0.42139 1.67303 84 3PZ 0.21229 0.21564 0.35813 0.29138 1.08933 85 4XX 0.30772 0.20245 0.49336 0.09997 0.22506 86 4YY 0.29355 0.29063 0.63082 0.11819 0.35065 87 4ZZ 0.32898 0.24978 0.51099 0.09147 0.26433 88 4XY 0.02847 0.06130 0.04912 0.03472 0.05938 89 4XZ -0.00993 -0.05478 -0.02520 -0.00186 -0.02311 90 4YZ -0.04783 -0.07824 -0.04206 -0.06774 -0.10662 91 7 H 1S -0.03764 0.00353 0.04662 -0.04500 0.08562 92 2S -0.06016 0.00424 0.01584 -0.18028 0.42854 93 8 H 1S -0.04539 -0.02327 0.08093 -0.08246 0.00403 94 2S 0.06809 0.06647 0.06540 0.02514 0.23878 95 9 H 1S -0.04537 0.02330 -0.08099 -0.08236 -0.00403 96 2S 0.06814 -0.06657 -0.06532 0.02534 -0.23862 97 10 H 1S -0.03763 -0.00351 -0.04667 -0.04496 -0.08560 98 2S -0.06010 -0.00423 -0.01599 -0.18020 -0.42845 99 11 O 1S -0.07399 0.06019 -0.03197 -0.21115 0.24472 100 2S -0.16069 0.09139 -0.06599 -0.48300 0.63819 101 2PX 0.00831 -0.01779 -0.00570 -0.00727 -0.00729 102 2PY 0.04295 -0.08867 -0.04941 -0.02404 -0.00464 103 2PZ 0.00165 -0.01467 0.00015 0.00388 -0.00626 104 3S 1.40017 -1.10815 0.52472 3.83884 -5.00712 105 3PX 0.03555 -0.05914 0.00365 0.12416 -0.11903 106 3PY 0.45588 -0.40739 0.10237 1.08193 -1.32171 107 3PZ 0.05598 0.04549 0.00126 0.13544 -0.15796 108 4XX -0.27019 0.22899 -0.09601 -0.73188 0.82812 109 4YY -0.05317 -0.01815 -0.13923 -0.39533 0.43616 110 4ZZ -0.26762 0.22623 -0.10756 -0.73925 0.84135 111 4XY 0.02174 -0.02679 -0.00590 0.05106 -0.05580 112 4XZ -0.01193 -0.00508 0.01612 -0.01120 0.00706 113 4YZ 0.03209 0.00785 -0.00799 0.06073 -0.06323 114 12 O 1S -0.07398 -0.06018 0.03180 -0.21118 -0.24467 115 2S -0.16066 -0.09138 0.06561 -0.48306 -0.63804 116 2PX 0.00835 0.01784 0.00574 -0.00729 0.00730 117 2PY -0.04302 -0.08861 -0.04940 0.02406 -0.00464 118 2PZ 0.00166 0.01466 -0.00013 0.00388 0.00625 119 3S 1.40011 1.10800 -0.52168 3.83928 5.00599 120 3PX 0.03591 0.05950 -0.00365 0.12495 0.11993 121 3PY -0.45591 -0.40724 0.10150 -1.08197 -1.32132 122 3PZ 0.05593 -0.04549 -0.00117 0.13548 0.15798 123 4XX -0.27014 -0.22891 0.09544 -0.73190 -0.82787 124 4YY -0.05308 0.01803 0.13893 -0.39547 -0.43613 125 4ZZ -0.26761 -0.22618 0.10697 -0.73936 -0.84117 126 4XY -0.02193 -0.02700 -0.00598 -0.05134 -0.05611 127 4XZ -0.01191 0.00509 -0.01614 -0.01115 -0.00701 128 4YZ -0.03209 0.00787 -0.00805 -0.06075 -0.06325 129 13 C 1S -0.28163 0.00009 0.00007 0.08416 0.00000 130 2S 1.42465 -0.00044 -0.00032 -0.45802 0.00001 131 2PX 0.08827 -0.00004 -0.00002 0.02731 0.00001 132 2PY 0.00004 -0.00196 0.04314 -0.00002 -0.07605 133 2PZ -0.07799 0.00003 0.00003 0.02786 -0.00001 134 3S 2.52768 -0.00067 -0.00125 -1.86283 0.00017 135 3PX -0.29940 0.00007 0.00002 0.23128 0.00007 136 3PY -0.00010 0.04630 0.44361 -0.00011 -0.20625 137 3PZ 0.16486 0.00004 -0.00033 -0.54550 0.00000 138 4XX -1.02629 0.00031 0.00021 0.32244 0.00002 139 4YY -1.19657 0.00039 0.00041 0.45831 -0.00004 140 4ZZ -1.10614 0.00034 0.00024 0.30029 0.00000 141 4XY 0.00007 0.02245 0.09402 -0.00010 -0.02311 142 4XZ 0.09614 -0.00001 0.00003 -0.03029 0.00000 143 4YZ 0.00001 -0.04403 -0.11327 0.00006 0.03532 144 14 H 1S -0.02288 0.00000 0.00005 0.07175 -0.00002 145 2S -0.22645 0.00006 0.00011 0.17853 -0.00002 146 15 H 1S 0.01056 0.00000 0.00002 0.03780 0.00000 147 2S -0.37817 0.00014 -0.00003 -0.06006 -0.00003 148 16 C 1S 0.20732 -0.09369 -0.33203 -0.23805 0.14073 149 2S -1.20258 0.02449 1.13395 0.84961 0.04705 150 2PX -0.01442 0.01551 0.06856 0.04677 0.01075 151 2PY 0.08180 -0.02768 -0.16097 -0.11187 0.06891 152 2PZ 0.02394 0.01814 -0.03434 -0.02399 0.01323 153 3S -1.69736 0.50151 3.67398 2.37562 -2.60809 154 3PX -0.07260 -0.29785 -0.42609 -0.23648 0.57134 155 3PY -0.22726 0.20124 1.25939 0.73602 -1.01576 156 3PZ 0.08496 -0.14563 0.34559 0.11649 -0.34073 157 4XX 0.82313 -0.22668 -1.11375 -0.75331 0.27930 158 4YY 0.91705 -0.22657 -1.08702 -0.89843 0.33361 159 4ZZ 0.88640 -0.14783 -1.26776 -0.81050 0.37439 160 4XY 0.04629 -0.05779 -0.02757 -0.01439 0.06779 161 4XZ -0.05726 -0.00026 0.04192 0.03899 -0.05054 162 4YZ -0.03384 0.04300 -0.04062 0.00263 0.00651 163 17 H 1S -0.04522 0.00117 0.07267 0.07651 0.00363 164 2S 0.25254 0.00769 0.03292 -0.04154 -0.17324 165 18 C 1S -0.06517 -0.22515 0.16561 -0.04217 -0.03344 166 2S 0.38291 0.93238 -0.79080 0.24232 0.06827 167 2PX -0.00967 0.01385 0.03481 0.02755 -0.00947 168 2PY 0.02140 -0.11520 0.04273 -0.00452 0.00676 169 2PZ 0.08543 0.09873 -0.11950 0.01399 -0.00329 170 3S 0.51095 2.08261 -3.30001 -0.60802 1.88914 171 3PX -0.00049 0.01048 -0.17996 -0.06043 0.12118 172 3PY -0.00464 0.66421 -0.68199 0.02747 0.27281 173 3PZ -0.14457 -0.45106 1.06466 0.28640 -0.79774 174 4XX -0.26521 -0.80138 0.59730 -0.15367 -0.10778 175 4YY -0.23093 -0.93902 0.73533 -0.15059 -0.10781 176 4ZZ -0.36735 -0.76196 0.75362 -0.10891 -0.12667 177 4XY -0.00671 -0.03946 -0.02674 -0.02450 0.02919 178 4XZ 0.06422 0.00488 -0.08545 -0.03173 0.02389 179 4YZ -0.04818 -0.02067 0.09044 0.07930 -0.01637 180 19 H 1S 0.02367 0.07922 -0.04833 0.04749 0.01220 181 2S -0.04653 -0.03682 -0.08415 -0.04834 0.08482 182 20 C 1S 0.20740 0.09358 0.33181 -0.23840 -0.14067 183 2S -1.20271 -0.02383 -1.13310 0.85076 -0.04718 184 2PX -0.01437 -0.01547 -0.06842 0.04677 -0.01082 185 2PY -0.08183 -0.02765 -0.16092 0.11205 0.06889 186 2PZ 0.02394 -0.01816 0.03430 -0.02401 -0.01323 187 3S -1.69783 -0.50077 -3.67162 2.37964 2.60745 188 3PX -0.07261 0.29778 0.42517 -0.23652 -0.57062 189 3PY 0.22729 0.20153 1.25902 -0.73747 -1.01617 190 3PZ 0.08504 0.14553 -0.34528 0.11670 0.34054 191 4XX 0.82341 0.22628 1.11304 -0.75448 -0.27920 192 4YY 0.91722 0.22601 1.08614 -0.89953 -0.33336 193 4ZZ 0.88661 0.14734 1.26697 -0.81181 -0.37416 194 4XY -0.04638 -0.05774 -0.02750 0.01452 0.06781 195 4XZ -0.05728 0.00025 -0.04186 0.03906 0.05055 196 4YZ 0.03382 0.04299 -0.04070 -0.00259 0.00655 197 21 H 1S -0.04523 -0.00120 -0.07262 0.07656 -0.00359 198 2S 0.25258 -0.00796 -0.03300 -0.04152 0.17334 199 22 C 1S -0.06502 0.22516 -0.16565 -0.04199 0.03341 200 2S 0.38228 -0.93253 0.79094 0.24148 -0.06822 201 2PX -0.00967 -0.01376 -0.03482 0.02756 0.00946 202 2PY -0.02150 -0.11518 0.04268 0.00450 0.00679 203 2PZ 0.08539 -0.09880 0.11955 0.01385 0.00330 204 3S 0.50974 -2.08267 3.29953 -0.61154 -1.88885 205 3PX -0.00049 -0.01088 0.18028 -0.06052 -0.12132 206 3PY 0.00508 0.66408 -0.68173 -0.02695 0.27255 207 3PZ -0.14431 0.45111 -1.06458 0.28758 0.79766 208 4XX -0.26468 0.80149 -0.59739 -0.15305 0.10765 209 4YY -0.23032 0.93904 -0.73550 -0.14973 0.10777 210 4ZZ -0.36686 0.76211 -0.75367 -0.10813 0.12656 211 4XY 0.00665 -0.03956 -0.02664 0.02453 0.02919 212 4XZ 0.06419 -0.00491 0.08536 -0.03175 -0.02386 213 4YZ 0.04824 -0.02067 0.09044 -0.07943 -0.01638 214 23 H 1S 0.02362 -0.07922 0.04837 0.04746 -0.01218 215 2S -0.04651 0.03688 0.08412 -0.04841 -0.08484 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05475 2 2S -0.06604 0.33271 3 2PX 0.00082 0.00026 0.36085 4 2PY 0.00119 -0.00064 0.00454 0.44126 5 2PZ -0.00081 -0.00124 -0.05352 -0.00259 0.37300 6 3S -0.19826 0.31901 0.04177 -0.08118 -0.03702 7 3PX -0.00561 0.00116 0.19089 -0.01350 0.02197 8 3PY 0.00083 -0.00937 -0.01062 0.12000 0.00623 9 3PZ 0.00403 0.00281 0.02382 0.01054 0.18496 10 4XX -0.01487 -0.00868 0.00093 -0.00815 0.00332 11 4YY -0.01819 -0.00058 -0.00111 0.01162 0.00178 12 4ZZ -0.01598 -0.00658 -0.00277 -0.01030 -0.00188 13 4XY -0.00144 0.00268 -0.00221 -0.00081 0.01553 14 4XZ 0.00466 -0.00944 0.00125 0.01042 -0.00193 15 4YZ 0.00151 -0.00292 0.01563 0.00098 -0.00585 16 2 C 1S 0.01383 -0.02918 -0.03983 0.03690 0.04795 17 2S -0.02710 0.05105 0.08444 -0.08184 -0.09907 18 2PX 0.03908 -0.07865 -0.04558 0.08836 0.15472 19 2PY -0.03446 0.06329 0.08538 -0.07489 -0.11508 20 2PZ -0.04764 0.09863 0.16027 -0.11626 -0.09806 21 3S 0.00155 0.02102 0.07706 -0.06846 -0.09856 22 3PX -0.00432 0.00218 0.01981 0.01331 0.02028 23 3PY -0.00260 0.01619 0.03062 0.02402 -0.04404 24 3PZ 0.00269 0.00355 0.02939 -0.01284 0.00422 25 4XX -0.00054 -0.00014 -0.00969 -0.00175 -0.00060 26 4YY 0.00072 -0.00208 -0.00088 0.01239 0.00139 27 4ZZ -0.00291 0.00428 0.00516 -0.00676 0.00672 28 4XY 0.00546 -0.01075 -0.00358 0.00570 0.01437 29 4XZ 0.00355 -0.00630 0.00150 0.00607 0.00171 30 4YZ -0.00572 0.01114 0.01286 -0.00486 -0.00670 31 3 C 1S -0.00575 0.01225 0.01388 -0.00746 -0.01521 32 2S 0.01187 -0.02549 -0.03168 0.01643 0.03359 33 2PX -0.01560 0.03725 0.02564 -0.01991 -0.04960 34 2PY -0.00631 0.01340 0.02106 -0.01615 -0.01715 35 2PZ 0.01455 -0.03211 -0.04015 0.02264 0.03258 36 3S 0.02803 -0.06314 -0.09763 0.04053 0.09606 37 3PX -0.00960 0.02523 0.02738 -0.00852 -0.04223 38 3PY -0.00597 0.00650 0.02912 -0.01435 -0.02715 39 3PZ 0.00732 -0.01698 -0.02462 0.00733 0.02494 40 4XX -0.00039 0.00064 -0.00055 -0.00118 -0.00423 41 4YY 0.00028 -0.00041 -0.00210 0.00089 0.00212 42 4ZZ -0.00093 0.00206 0.00550 -0.00197 -0.00171 43 4XY 0.00051 -0.00091 -0.00208 0.00084 0.00102 44 4XZ 0.00054 -0.00115 -0.00325 0.00160 0.00275 45 4YZ -0.00067 0.00153 0.00057 -0.00053 -0.00243 46 4 C 1S -0.00073 0.00028 0.00242 0.00158 -0.00220 47 2S 0.00096 -0.00164 -0.00754 -0.00270 0.00498 48 2PX -0.00512 0.01359 -0.00858 0.00620 -0.03003 49 2PY -0.00244 0.00595 0.00492 0.00209 -0.01367 50 2PZ 0.00084 0.00011 -0.02033 -0.00776 -0.01445 51 3S 0.00022 0.00996 -0.00245 -0.01055 0.00272 52 3PX -0.00489 0.01034 -0.01074 0.00716 -0.01584 53 3PY -0.00125 -0.00062 -0.00718 0.01008 -0.00565 54 3PZ 0.00211 -0.00037 -0.00080 -0.00812 -0.00925 55 4XX 0.00009 -0.00038 -0.00173 -0.00077 -0.00148 56 4YY 0.00003 -0.00002 -0.00077 0.00106 0.00026 57 4ZZ -0.00012 -0.00005 0.00163 -0.00037 0.00121 58 4XY 0.00046 -0.00115 -0.00110 0.00118 0.00109 59 4XZ -0.00018 0.00027 -0.00095 0.00105 -0.00023 60 4YZ -0.00034 0.00088 0.00073 -0.00165 -0.00147 61 5 C 1S -0.00349 0.00777 0.00386 0.01409 -0.00387 62 2S 0.00919 -0.01901 -0.00736 -0.03825 0.01121 63 2PX -0.00691 0.01648 0.02272 0.01790 0.00295 64 2PY -0.01004 0.02512 0.01216 0.03849 -0.00589 65 2PZ 0.00813 -0.02010 0.00249 -0.03016 0.01991 66 3S 0.00151 -0.01517 -0.04150 -0.05012 0.03063 67 3PX -0.00262 0.00756 0.01560 0.01003 -0.01372 68 3PY 0.00908 -0.01303 0.00703 -0.02557 -0.00148 69 3PZ -0.00006 -0.00315 -0.01247 -0.00627 0.01734 70 4XX 0.00031 -0.00058 -0.00548 -0.00180 -0.00475 71 4YY -0.00177 0.00373 0.00017 0.00904 -0.00136 72 4ZZ 0.00090 -0.00197 0.00611 -0.00313 0.00608 73 4XY 0.00013 -0.00035 -0.00668 0.00130 -0.00672 74 4XZ -0.00044 0.00101 0.00199 0.00134 0.00160 75 4YZ 0.00020 -0.00046 -0.00590 -0.00187 -0.00373 76 6 C 1S 0.01874 -0.03878 -0.00144 -0.08564 0.00019 77 2S -0.03878 0.06963 0.00044 0.17214 0.00091 78 2PX -0.00149 0.00055 0.18199 -0.00080 0.13309 79 2PY 0.08564 -0.17214 0.00114 -0.32373 -0.00232 80 2PZ 0.00020 0.00090 0.13308 0.00239 0.14640 81 3S 0.02188 -0.01350 0.01562 0.13314 -0.00214 82 3PX 0.00569 -0.00623 0.11873 -0.01173 0.09376 83 3PY 0.00298 -0.01903 0.01415 -0.09359 -0.01072 84 3PZ -0.00574 0.00392 0.09190 0.01305 0.09552 85 4XX 0.00255 -0.00590 0.00104 -0.00952 0.00151 86 4YY -0.00590 0.01036 0.00026 0.00540 -0.00014 87 4ZZ 0.00277 -0.00634 -0.00180 -0.01005 -0.00113 88 4XY -0.00005 -0.00007 -0.01375 -0.00125 0.00080 89 4XZ -0.00086 0.00198 -0.00037 0.00297 -0.00006 90 4YZ 0.00005 0.00011 0.00050 0.00122 -0.01400 91 7 H 1S -0.06122 0.11759 -0.15358 -0.14362 0.16809 92 2S -0.01072 0.02286 -0.13450 -0.10707 0.14549 93 8 H 1S -0.00677 0.01538 0.01994 -0.01010 -0.01909 94 2S -0.01405 0.02920 0.05169 -0.02781 -0.04031 95 9 H 1S 0.00033 -0.00082 0.00506 0.00628 0.00554 96 2S 0.00450 -0.00951 0.00817 0.00167 0.01750 97 10 H 1S 0.01309 -0.02723 0.01015 -0.04203 -0.01583 98 2S 0.01513 -0.02764 0.02587 -0.07079 -0.03370 99 11 O 1S -0.00262 0.00603 0.00090 -0.01097 -0.00321 100 2S 0.00744 -0.01598 -0.00511 0.02451 0.01173 101 2PX -0.02041 0.04346 0.01827 -0.04717 -0.04702 102 2PY 0.01439 -0.02498 -0.02276 0.04175 0.03469 103 2PZ 0.02563 -0.04848 -0.05105 0.06667 0.02838 104 3S 0.00088 -0.00180 0.01479 0.06116 -0.00700 105 3PX -0.01696 0.03697 0.01216 -0.03988 -0.04785 106 3PY 0.00678 -0.01173 -0.00658 0.03508 0.01889 107 3PZ 0.02024 -0.03976 -0.04767 0.05679 0.02099 108 4XX 0.00023 -0.00050 -0.00172 -0.00140 0.00107 109 4YY 0.00065 -0.00117 -0.00079 -0.00143 0.00005 110 4ZZ 0.00018 -0.00046 -0.00006 -0.00185 0.00154 111 4XY 0.00022 -0.00015 -0.00068 0.00065 0.00242 112 4XZ 0.00004 -0.00026 0.00065 0.00132 -0.00020 113 4YZ 0.00003 0.00020 0.00201 -0.00065 -0.00155 114 12 O 1S 0.00124 -0.00301 -0.00159 -0.00565 0.00041 115 2S -0.00252 0.00586 0.00332 0.01128 0.00081 116 2PX 0.00595 -0.01176 -0.05742 -0.01523 -0.05198 117 2PY 0.00753 -0.01929 -0.02073 -0.03205 -0.01186 118 2PZ -0.00948 0.01689 -0.04710 0.03725 -0.03594 119 3S -0.00880 0.01871 0.01044 0.04452 -0.00897 120 3PX 0.00455 -0.00989 -0.04750 -0.01235 -0.03791 121 3PY 0.00579 -0.01474 -0.01838 -0.02822 -0.00615 122 3PZ -0.00690 0.01331 -0.03361 0.03050 -0.03139 123 4XX 0.00024 -0.00076 -0.00153 -0.00150 -0.00056 124 4YY 0.00020 -0.00018 0.00079 -0.00100 0.00123 125 4ZZ 0.00032 -0.00090 -0.00009 -0.00165 0.00094 126 4XY 0.00010 -0.00020 0.00182 -0.00024 0.00203 127 4XZ -0.00022 0.00042 -0.00040 0.00095 -0.00026 128 4YZ 0.00000 0.00000 0.00198 -0.00037 0.00128 129 13 C 1S -0.00028 0.00089 -0.00025 -0.00009 -0.00143 130 2S 0.00086 -0.00319 0.00154 0.00059 0.00546 131 2PX -0.00029 0.00012 -0.00901 0.00022 -0.00799 132 2PY 0.00007 -0.00035 -0.00133 -0.00046 -0.00057 133 2PZ -0.00084 0.00053 0.00213 -0.00200 -0.00303 134 3S 0.00105 -0.00032 0.00250 -0.00121 0.00198 135 3PX 0.00053 -0.00317 -0.00809 0.00308 -0.00070 136 3PY 0.00007 -0.00023 -0.00196 -0.00047 -0.00160 137 3PZ -0.00081 0.00310 0.00515 -0.00281 -0.00593 138 4XX -0.00001 -0.00003 -0.00149 -0.00002 -0.00167 139 4YY 0.00002 -0.00013 0.00075 0.00006 0.00084 140 4ZZ 0.00007 0.00003 0.00116 0.00009 0.00136 141 4XY -0.00002 0.00001 0.00039 -0.00010 0.00012 142 4XZ -0.00011 0.00018 -0.00011 -0.00006 -0.00041 143 4YZ -0.00003 0.00005 0.00029 -0.00011 -0.00010 144 14 H 1S -0.00036 -0.00030 -0.00895 -0.00028 -0.00935 145 2S -0.00119 0.00240 -0.01237 -0.00178 -0.01747 146 15 H 1S 0.00058 -0.00039 0.00333 0.00101 0.00593 147 2S 0.00016 0.00167 0.00813 -0.00072 0.00505 148 16 C 1S -0.00002 0.00075 0.00164 -0.00059 -0.00001 149 2S 0.00021 -0.00014 0.00115 -0.00039 0.00003 150 2PX -0.00035 0.00333 0.01463 -0.00008 0.01273 151 2PY -0.00018 0.00000 0.00208 -0.00064 0.00084 152 2PZ -0.00051 0.00314 0.00163 -0.00039 0.00065 153 3S 0.00065 -0.00889 -0.02337 0.01188 0.00351 154 3PX 0.00132 0.00075 0.01834 -0.00051 0.01685 155 3PY -0.00160 0.00016 -0.00700 -0.00053 -0.00325 156 3PZ 0.00019 0.00052 -0.00236 0.00339 0.00702 157 4XX 0.00017 -0.00021 0.00004 -0.00005 0.00010 158 4YY 0.00008 0.00000 0.00058 -0.00029 0.00007 159 4ZZ -0.00002 0.00060 0.00085 -0.00022 -0.00020 160 4XY -0.00002 0.00011 0.00055 -0.00016 0.00040 161 4XZ -0.00002 0.00052 -0.00005 -0.00002 -0.00033 162 4YZ -0.00003 0.00009 -0.00004 -0.00003 -0.00005 163 17 H 1S 0.00015 -0.00048 0.00037 -0.00023 0.00080 164 2S -0.00250 0.00460 0.00039 -0.00598 -0.00844 165 18 C 1S -0.00067 0.00083 0.00129 -0.00017 0.00111 166 2S 0.00024 -0.00194 -0.00919 0.00086 -0.00685 167 2PX -0.00073 0.01021 0.00237 0.00183 0.00119 168 2PY -0.00011 -0.00013 -0.00073 -0.00250 0.00009 169 2PZ 0.00114 -0.00179 -0.00499 0.00284 -0.00085 170 3S 0.00445 -0.00120 0.01186 -0.00401 -0.00273 171 3PX -0.00234 0.00799 -0.00607 0.00166 -0.00723 172 3PY 0.00123 -0.00080 0.00306 0.00115 0.00788 173 3PZ 0.00011 -0.00124 -0.01299 0.00514 -0.00561 174 4XX -0.00071 0.00075 0.00154 -0.00004 0.00065 175 4YY -0.00018 0.00003 -0.00101 0.00004 -0.00086 176 4ZZ -0.00020 -0.00011 -0.00125 0.00014 -0.00120 177 4XY -0.00008 0.00028 0.00037 -0.00019 0.00000 178 4XZ 0.00002 -0.00010 -0.00029 0.00003 -0.00029 179 4YZ -0.00018 0.00036 0.00019 -0.00024 -0.00011 180 19 H 1S 0.00075 -0.00346 -0.00537 0.00208 -0.00256 181 2S 0.00051 -0.00162 0.00392 -0.00049 0.00881 182 20 C 1S -0.00005 0.00020 0.00083 -0.00064 0.00025 183 2S 0.00040 -0.00050 0.00150 0.00070 0.00210 184 2PX -0.00064 0.00130 0.02581 -0.00251 0.01984 185 2PY -0.00033 0.00089 0.00341 -0.00023 0.00266 186 2PZ -0.00011 0.00115 0.00910 0.00019 0.00672 187 3S -0.00087 -0.00100 -0.01158 0.00776 -0.00459 188 3PX -0.00059 0.00090 0.02936 -0.00285 0.02290 189 3PY -0.00097 0.00397 0.01023 -0.00153 0.00090 190 3PZ -0.00144 0.00243 0.00621 0.00026 0.00402 191 4XX -0.00002 0.00007 -0.00041 -0.00024 -0.00064 192 4YY 0.00009 -0.00025 0.00072 -0.00014 0.00080 193 4ZZ -0.00001 0.00020 0.00060 0.00009 0.00047 194 4XY -0.00003 0.00002 -0.00037 0.00011 -0.00036 195 4XZ -0.00015 0.00060 0.00026 -0.00004 -0.00056 196 4YZ 0.00000 -0.00007 -0.00013 0.00001 -0.00010 197 21 H 1S 0.00006 -0.00038 0.00408 -0.00046 0.00428 198 2S 0.00091 -0.00303 -0.00468 -0.00238 0.00094 199 22 C 1S -0.00018 0.00049 0.00156 0.00020 0.00080 200 2S 0.00045 -0.00070 -0.00812 0.00038 -0.00595 201 2PX -0.00191 0.01009 0.01237 0.00055 0.00389 202 2PY -0.00029 0.00139 0.00181 0.00175 0.00045 203 2PZ -0.00070 0.00233 -0.00343 -0.00091 -0.00553 204 3S -0.00052 -0.00040 0.00408 -0.00411 0.00248 205 3PX -0.00110 0.00699 0.00023 0.00168 -0.00628 206 3PY 0.00142 -0.00125 -0.00361 0.00053 -0.00179 207 3PZ -0.00140 0.00304 -0.00623 0.00126 -0.00715 208 4XX -0.00016 0.00027 0.00140 0.00025 0.00083 209 4YY -0.00004 -0.00003 -0.00084 0.00006 -0.00073 210 4ZZ 0.00002 -0.00006 -0.00140 0.00022 -0.00130 211 4XY -0.00010 -0.00025 0.00040 0.00007 0.00020 212 4XZ 0.00002 -0.00005 -0.00070 0.00008 -0.00050 213 4YZ -0.00007 0.00003 -0.00017 -0.00008 -0.00035 214 23 H 1S 0.00005 -0.00036 -0.00600 -0.00009 -0.00539 215 2S -0.00007 -0.00003 0.00293 -0.00144 0.00081 6 7 8 9 10 6 3S 0.46610 7 3PX 0.04111 0.11495 8 3PY 0.00959 -0.00530 0.06208 9 3PZ -0.02636 0.03309 0.00290 0.10581 10 4XX -0.00582 0.00110 -0.00136 0.00140 0.00068 11 4YY -0.00444 -0.00129 0.00140 0.00141 -0.00011 12 4ZZ -0.00348 -0.00134 -0.00184 -0.00144 0.00043 13 4XY 0.00312 0.00157 0.00016 0.00725 0.00000 14 4XZ -0.00939 0.00027 0.00238 -0.00081 -0.00005 15 4YZ -0.00300 0.00725 -0.00046 -0.00010 -0.00001 16 2 C 1S 0.02212 0.00570 0.01796 -0.00328 -0.00091 17 2S -0.01059 0.00461 -0.02666 -0.00867 0.00121 18 2PX -0.10992 -0.01434 0.05642 0.07122 0.00657 19 2PY 0.11828 0.05510 0.02140 -0.06943 0.00113 20 2PZ 0.11358 0.07368 -0.07146 -0.03651 0.00087 21 3S -0.01677 0.00729 -0.01595 -0.01571 0.00127 22 3PX 0.00169 0.00873 0.00263 0.01209 0.00188 23 3PY -0.01181 0.00090 0.00198 -0.00759 -0.00112 24 3PZ -0.01879 0.00977 -0.01177 0.00691 0.00162 25 4XX 0.00150 -0.00397 0.00083 -0.00334 0.00007 26 4YY -0.00444 -0.00101 0.00173 0.00098 -0.00019 27 4ZZ 0.01154 0.00619 -0.00026 0.00217 0.00004 28 4XY -0.02257 -0.00123 0.00038 0.00823 0.00016 29 4XZ -0.00536 0.00107 0.00157 0.00119 -0.00003 30 4YZ 0.02525 0.00786 -0.00002 -0.00215 -0.00032 31 3 C 1S 0.02144 0.00542 -0.01024 -0.00519 -0.00091 32 2S -0.05705 -0.01684 0.01018 0.01525 0.00172 33 2PX 0.09142 0.01370 -0.03678 -0.03351 -0.00069 34 2PY 0.03603 0.00918 -0.01374 -0.00351 -0.00172 35 2PZ -0.08715 -0.03425 0.03486 0.02095 0.00479 36 3S -0.16553 -0.04214 0.00277 0.02883 0.00298 37 3PX 0.04541 0.00801 -0.02153 -0.01955 -0.00011 38 3PY 0.00216 0.01547 -0.01961 -0.01376 -0.00079 39 3PZ -0.03364 -0.01278 0.01592 0.00808 0.00248 40 4XX 0.00109 -0.00077 0.00052 -0.00193 -0.00008 41 4YY -0.00022 -0.00136 -0.00028 0.00127 -0.00005 42 4ZZ 0.00383 0.00316 -0.00140 -0.00069 0.00003 43 4XY -0.00279 -0.00183 0.00116 0.00095 0.00011 44 4XZ -0.00020 -0.00128 0.00011 0.00092 -0.00006 45 4YZ 0.00410 0.00108 -0.00138 -0.00212 -0.00018 46 4 C 1S 0.00701 0.00548 0.00245 -0.00490 -0.00017 47 2S 0.00151 -0.00815 0.00245 0.00589 0.00004 48 2PX 0.02420 -0.01207 -0.00128 -0.02075 0.00068 49 2PY 0.00664 0.00155 0.00849 -0.00884 0.00066 50 2PZ -0.00651 -0.01268 -0.00438 -0.01396 0.00079 51 3S 0.05833 -0.00942 0.02920 0.01407 0.00029 52 3PX 0.01861 -0.00921 0.00114 -0.01301 0.00034 53 3PY -0.02815 -0.00496 -0.00256 -0.00678 0.00036 54 3PZ -0.00553 -0.00278 -0.00438 -0.00466 0.00064 55 4XX -0.00135 -0.00083 -0.00068 -0.00089 -0.00003 56 4YY -0.00021 -0.00043 0.00044 -0.00006 0.00002 57 4ZZ 0.00025 0.00093 -0.00008 0.00063 0.00003 58 4XY -0.00289 -0.00082 0.00150 0.00078 -0.00002 59 4XZ 0.00043 -0.00037 0.00055 -0.00024 -0.00003 60 4YZ 0.00282 0.00092 -0.00141 -0.00131 -0.00014 61 5 C 1S -0.01426 -0.00462 0.00054 0.00399 -0.00040 62 2S 0.00310 0.00324 -0.01200 -0.00002 0.00101 63 2PX 0.01197 0.00846 0.00212 -0.00434 -0.00022 64 2PY 0.08121 0.00895 0.04248 -0.00399 0.00006 65 2PZ 0.00088 -0.00029 0.00033 0.00249 0.00082 66 3S 0.00302 -0.01007 -0.01715 0.00209 0.00082 67 3PX 0.01678 0.00574 0.00020 -0.01166 -0.00037 68 3PY -0.01776 0.00141 -0.00892 0.00174 0.00088 69 3PZ 0.00379 -0.00747 0.00830 0.00375 0.00037 70 4XX -0.00223 -0.00388 -0.00060 -0.00300 0.00002 71 4YY 0.00431 -0.00071 0.00334 -0.00025 -0.00024 72 4ZZ -0.00543 0.00407 -0.00278 0.00408 0.00009 73 4XY -0.00596 -0.00492 -0.00371 -0.00559 -0.00013 74 4XZ 0.00194 0.00146 0.00062 0.00126 -0.00001 75 4YZ 0.00602 -0.00406 0.00491 -0.00251 -0.00001 76 6 C 1S 0.02188 0.00569 -0.00297 -0.00574 0.00255 77 2S -0.01350 -0.00624 0.01903 0.00392 -0.00590 78 2PX 0.01569 0.11872 -0.01402 0.09192 0.00102 79 2PY -0.13312 0.01187 -0.09358 -0.01300 0.00953 80 2PZ -0.00216 0.09374 0.01077 0.09553 0.00151 81 3S -0.17237 -0.00665 -0.03917 0.00736 -0.00369 82 3PX -0.00669 0.07767 -0.01417 0.06543 0.00093 83 3PY 0.03916 0.01421 -0.00714 -0.00932 0.00228 84 3PZ 0.00735 0.06541 0.00935 0.06233 0.00048 85 4XX -0.00369 0.00094 -0.00228 0.00048 0.00036 86 4YY 0.01092 -0.00004 0.00234 0.00023 -0.00030 87 4ZZ -0.00489 -0.00072 -0.00272 -0.00084 0.00031 88 4XY 0.00009 -0.00750 0.00031 -0.00179 -0.00001 89 4XZ 0.00383 -0.00027 0.00173 0.00009 -0.00006 90 4YZ -0.00047 -0.00176 -0.00014 -0.00726 -0.00016 91 7 H 1S 0.11315 -0.05490 -0.03377 0.06144 0.00092 92 2S 0.00684 -0.04810 -0.02190 0.05034 0.00254 93 8 H 1S 0.03773 0.01763 -0.01967 -0.01551 -0.00140 94 2S 0.07896 0.03636 -0.01791 -0.02489 -0.00151 95 9 H 1S 0.00036 -0.00046 0.00814 0.00626 0.00034 96 2S -0.02524 0.00330 -0.00102 0.01186 0.00078 97 10 H 1S -0.04855 0.00515 -0.01711 -0.00822 0.00094 98 2S -0.02074 0.01251 -0.01629 -0.01495 0.00157 99 11 O 1S 0.00273 -0.00563 -0.00053 0.00520 -0.00017 100 2S -0.01889 0.00598 -0.00586 -0.00411 0.00037 101 2PX 0.17238 0.00432 0.01584 -0.02901 0.00331 102 2PY -0.12475 -0.05295 -0.02889 0.06596 -0.00264 103 2PZ -0.26100 -0.05728 -0.03935 0.01888 0.00201 104 3S 0.00600 0.02351 0.00968 -0.02267 -0.00011 105 3PX 0.13208 0.00272 0.00908 -0.02916 0.00181 106 3PY -0.06917 -0.02642 -0.01230 0.03741 -0.00173 107 3PZ -0.18863 -0.04554 -0.02178 0.01192 0.00118 108 4XX 0.00259 -0.00020 0.00089 -0.00038 0.00011 109 4YY -0.00742 -0.00343 -0.00259 0.00357 -0.00014 110 4ZZ 0.00029 0.00068 -0.00028 0.00021 0.00006 111 4XY 0.00287 -0.00079 0.00169 0.00129 0.00029 112 4XZ -0.00127 0.00005 -0.00003 0.00003 0.00003 113 4YZ -0.00843 -0.00076 -0.00382 0.00000 0.00012 114 12 O 1S -0.00147 0.00227 -0.00255 -0.00345 0.00013 115 2S 0.01265 -0.00259 0.00827 0.00673 -0.00011 116 2PX -0.06635 -0.04263 -0.05361 -0.05684 0.00005 117 2PY -0.08439 -0.02369 -0.03731 -0.00632 -0.00017 118 2PZ 0.12318 -0.03778 0.09301 -0.02507 -0.00141 119 3S 0.00706 -0.00404 0.01249 0.00442 -0.00125 120 3PX -0.05157 -0.03406 -0.03875 -0.04072 0.00000 121 3PY -0.04882 -0.01656 -0.02338 -0.00444 0.00016 122 3PZ 0.08591 -0.02750 0.06545 -0.01997 -0.00119 123 4XX -0.00217 -0.00101 -0.00133 -0.00073 0.00003 124 4YY 0.00421 0.00155 0.00129 0.00056 0.00009 125 4ZZ -0.00084 -0.00001 -0.00027 0.00051 0.00003 126 4XY 0.00143 0.00149 0.00160 0.00250 0.00001 127 4XZ 0.00097 -0.00037 0.00063 -0.00028 -0.00003 128 4YZ -0.00541 0.00160 -0.00385 0.00124 0.00002 129 13 C 1S 0.00160 -0.00034 -0.00014 -0.00147 0.00007 130 2S -0.00341 0.00235 0.00072 0.00436 -0.00015 131 2PX 0.00414 -0.00640 0.00029 -0.00777 0.00053 132 2PY 0.00073 -0.00293 0.00449 -0.00163 -0.00023 133 2PZ 0.00654 0.00407 0.00043 -0.00312 -0.00011 134 3S -0.00075 0.00167 0.00005 0.00022 -0.00002 135 3PX -0.00177 -0.00423 0.00259 -0.00216 0.00028 136 3PY -0.00005 -0.00226 0.00145 -0.00227 -0.00026 137 3PZ 0.00530 0.00234 -0.00139 -0.00464 0.00007 138 4XX 0.00111 -0.00082 -0.00009 -0.00137 0.00006 139 4YY -0.00044 0.00060 0.00022 0.00062 -0.00003 140 4ZZ -0.00095 0.00047 0.00000 0.00106 -0.00001 141 4XY 0.00079 0.00031 -0.00015 0.00008 0.00003 142 4XZ 0.00041 -0.00017 -0.00015 -0.00028 0.00002 143 4YZ 0.00043 0.00006 0.00005 0.00003 0.00000 144 14 H 1S 0.00564 -0.00519 -0.00020 -0.00793 0.00034 145 2S 0.01001 -0.00831 -0.00214 -0.01296 0.00040 146 15 H 1S -0.00535 0.00033 -0.00056 0.00525 -0.00004 147 2S -0.00462 0.00195 -0.00153 0.00460 0.00003 148 16 C 1S -0.00126 -0.00013 -0.00074 0.00039 0.00019 149 2S 0.00498 0.00277 0.00307 -0.00076 -0.00021 150 2PX -0.01841 0.00940 -0.00304 0.01126 -0.00101 151 2PY 0.00670 0.00314 -0.00503 -0.00056 0.00036 152 2PZ 0.00008 -0.00097 0.00206 -0.00209 -0.00037 153 3S -0.00707 -0.01197 0.01151 0.00136 -0.00051 154 3PX -0.01880 0.01221 -0.00465 0.01292 -0.00066 155 3PY 0.01221 -0.00233 0.00266 -0.00219 -0.00005 156 3PZ -0.00543 -0.00211 0.00349 0.00345 -0.00010 157 4XX -0.00051 -0.00012 -0.00026 0.00000 0.00012 158 4YY -0.00021 0.00046 0.00012 0.00027 -0.00007 159 4ZZ 0.00066 0.00036 -0.00050 -0.00008 -0.00002 160 4XY -0.00011 0.00036 -0.00016 0.00032 0.00000 161 4XZ -0.00037 -0.00035 -0.00044 -0.00029 0.00002 162 4YZ 0.00016 -0.00008 0.00026 -0.00016 -0.00001 163 17 H 1S -0.00313 0.00049 0.00400 0.00161 -0.00043 164 2S 0.01503 0.00086 0.00447 -0.00469 -0.00032 165 18 C 1S 0.00019 0.00130 0.00083 0.00068 -0.00044 166 2S 0.00322 -0.00502 0.00108 -0.00538 0.00009 167 2PX -0.01650 -0.00601 -0.00330 0.00142 -0.00031 168 2PY -0.00015 -0.00068 -0.00213 -0.00067 0.00012 169 2PZ -0.01374 -0.00401 -0.00246 0.00287 0.00021 170 3S 0.00622 0.00825 -0.00462 -0.00219 0.00045 171 3PX -0.01180 -0.00947 -0.00339 -0.00421 -0.00013 172 3PY -0.00131 0.00274 0.00005 0.00446 0.00023 173 3PZ -0.00688 -0.00938 0.00276 -0.00241 -0.00016 174 4XX 0.00008 0.00078 -0.00017 0.00065 -0.00001 175 4YY -0.00041 -0.00077 -0.00007 -0.00044 -0.00003 176 4ZZ 0.00026 -0.00072 0.00003 -0.00082 -0.00001 177 4XY 0.00011 -0.00010 -0.00011 0.00019 0.00005 178 4XZ 0.00027 -0.00029 0.00009 -0.00024 0.00005 179 4YZ 0.00043 -0.00012 0.00020 -0.00021 -0.00001 180 19 H 1S -0.00210 -0.00178 0.00008 -0.00013 0.00017 181 2S -0.00423 0.00429 -0.00221 0.00683 0.00037 182 20 C 1S 0.00184 0.00031 0.00025 -0.00040 0.00015 183 2S -0.00719 0.00094 -0.00096 0.00294 -0.00022 184 2PX 0.00659 0.01375 0.00221 0.01487 -0.00010 185 2PY 0.00169 0.00235 -0.00328 0.00138 0.00022 186 2PZ -0.00137 0.00385 -0.00367 0.00710 0.00037 187 3S -0.00993 -0.00471 0.00073 -0.00076 -0.00056 188 3PX 0.01118 0.01764 0.00316 0.01770 0.00018 189 3PY 0.01058 0.00531 0.00234 0.00073 0.00012 190 3PZ 0.00461 0.00334 -0.00329 0.00352 0.00005 191 4XX 0.00098 -0.00022 0.00021 -0.00070 0.00004 192 4YY 0.00011 0.00075 -0.00007 0.00049 -0.00001 193 4ZZ -0.00024 0.00008 -0.00003 0.00047 0.00002 194 4XY 0.00024 -0.00016 -0.00013 -0.00025 0.00001 195 4XZ 0.00055 -0.00026 0.00000 -0.00025 0.00004 196 4YZ 0.00015 -0.00008 0.00021 -0.00006 -0.00001 197 21 H 1S -0.00117 0.00338 -0.00217 0.00291 -0.00003 198 2S -0.00793 -0.00215 -0.00715 -0.00104 0.00002 199 22 C 1S 0.00057 0.00167 0.00046 0.00051 -0.00004 200 2S -0.00392 -0.00675 -0.00165 -0.00323 0.00005 201 2PX -0.00214 -0.00128 -0.00125 0.00645 0.00040 202 2PY -0.00203 -0.00011 0.00017 0.00154 -0.00012 203 2PZ 0.00528 -0.00458 0.00277 -0.00474 -0.00005 204 3S -0.00498 -0.00074 -0.00023 0.00304 0.00020 205 3PX 0.00006 -0.00690 0.00096 -0.00192 0.00030 206 3PY -0.00200 -0.00270 -0.00021 -0.00093 0.00017 207 3PZ 0.00180 -0.00523 -0.00115 -0.00461 0.00001 208 4XX 0.00044 0.00088 0.00014 0.00056 0.00000 209 4YY 0.00036 -0.00048 0.00007 -0.00058 0.00000 210 4ZZ -0.00023 -0.00087 0.00024 -0.00082 -0.00003 211 4XY 0.00079 0.00049 0.00013 0.00021 0.00001 212 4XZ 0.00003 -0.00031 -0.00003 -0.00045 0.00002 213 4YZ 0.00078 -0.00007 0.00028 -0.00040 -0.00002 214 23 H 1S 0.00100 -0.00436 0.00127 -0.00428 -0.00017 215 2S 0.00361 0.00163 0.00254 -0.00051 -0.00022 11 12 13 14 15 11 4YY 0.00077 12 4ZZ -0.00020 0.00072 13 4XY -0.00002 -0.00002 0.00111 14 4XZ 0.00033 -0.00015 -0.00018 0.00067 15 4YZ 0.00003 0.00002 -0.00054 0.00020 0.00126 16 2 C 1S 0.00017 -0.00245 0.00338 0.00323 -0.00421 17 2S -0.00183 0.00401 -0.00659 -0.00650 0.00805 18 2PX 0.00076 -0.00279 0.00293 -0.00004 -0.00758 19 2PY -0.00938 0.00322 -0.00119 -0.00705 0.00099 20 2PZ -0.00081 -0.00500 -0.00755 -0.00254 0.00541 21 3S -0.00233 0.00308 -0.00723 -0.00412 0.00742 22 3PX 0.00061 -0.00228 -0.00076 -0.00013 -0.00185 23 3PY 0.00081 0.00013 -0.00247 -0.00054 0.00285 24 3PZ 0.00070 -0.00214 -0.00271 -0.00049 0.00086 25 4XX -0.00024 0.00004 0.00017 -0.00007 -0.00058 26 4YY 0.00057 -0.00034 -0.00011 0.00046 -0.00001 27 4ZZ -0.00041 0.00001 0.00057 -0.00023 -0.00014 28 4XY 0.00025 0.00026 0.00067 0.00016 0.00025 29 4XZ 0.00021 -0.00008 0.00007 0.00045 0.00016 30 4YZ -0.00023 -0.00006 0.00011 -0.00011 0.00054 31 3 C 1S 0.00029 -0.00065 -0.00047 0.00070 0.00072 32 2S -0.00040 0.00114 0.00098 -0.00136 -0.00136 33 2PX 0.00273 -0.00501 -0.00243 0.00314 0.00083 34 2PY 0.00048 -0.00083 -0.00012 0.00141 0.00092 35 2PZ -0.00168 0.00071 0.00024 -0.00334 -0.00241 36 3S -0.00006 0.00151 0.00442 -0.00138 -0.00425 37 3PX 0.00158 -0.00286 -0.00247 0.00134 0.00153 38 3PY -0.00049 0.00000 -0.00037 0.00039 0.00134 39 3PZ -0.00109 0.00017 0.00138 -0.00144 -0.00176 40 4XX -0.00012 0.00020 -0.00010 -0.00008 0.00010 41 4YY 0.00017 -0.00008 0.00002 0.00013 -0.00007 42 4ZZ 0.00001 -0.00016 -0.00016 0.00000 0.00020 43 4XY -0.00001 0.00015 0.00010 -0.00014 -0.00004 44 4XZ 0.00013 -0.00012 0.00011 0.00022 -0.00014 45 4YZ 0.00005 -0.00007 -0.00001 0.00013 0.00014 46 4 C 1S 0.00007 -0.00003 0.00038 -0.00017 -0.00044 47 2S 0.00003 -0.00017 -0.00097 0.00024 0.00104 48 2PX 0.00094 -0.00112 0.00074 -0.00008 -0.00119 49 2PY -0.00075 0.00008 -0.00187 -0.00059 0.00155 50 2PZ -0.00008 -0.00043 -0.00148 -0.00055 0.00154 51 3S -0.00009 -0.00083 -0.00418 0.00027 0.00373 52 3PX 0.00068 -0.00049 0.00124 -0.00026 -0.00131 53 3PY -0.00035 0.00012 -0.00117 -0.00039 0.00137 54 3PZ 0.00006 -0.00039 -0.00119 -0.00030 0.00151 55 4XX 0.00000 0.00008 -0.00004 -0.00001 -0.00015 56 4YY -0.00004 0.00002 -0.00004 -0.00001 0.00003 57 4ZZ 0.00003 -0.00001 0.00018 -0.00001 -0.00003 58 4XY -0.00005 0.00015 0.00015 -0.00009 -0.00011 59 4XZ -0.00002 0.00001 -0.00009 0.00003 0.00008 60 4YZ 0.00001 0.00001 -0.00006 0.00008 0.00015 61 5 C 1S -0.00048 -0.00030 -0.00145 0.00006 0.00171 62 2S 0.00098 0.00082 0.00300 -0.00028 -0.00347 63 2PX -0.00147 -0.00081 -0.00209 0.00014 0.00614 64 2PY -0.00209 -0.00018 -0.00330 0.00055 0.00469 65 2PZ 0.00193 0.00036 0.00636 -0.00082 -0.00378 66 3S 0.00027 0.00151 0.00427 -0.00071 -0.00509 67 3PX -0.00005 -0.00048 0.00019 0.00029 0.00123 68 3PY -0.00058 0.00062 -0.00166 -0.00009 0.00213 69 3PZ 0.00018 0.00013 0.00164 -0.00054 -0.00037 70 4XX 0.00003 0.00004 -0.00039 -0.00004 -0.00002 71 4YY 0.00007 -0.00022 -0.00004 0.00014 0.00006 72 4ZZ 0.00006 0.00002 0.00023 -0.00003 0.00025 73 4XY 0.00019 0.00002 0.00010 0.00004 -0.00062 74 4XZ -0.00013 -0.00003 0.00009 0.00002 0.00006 75 4YZ -0.00025 0.00014 -0.00053 -0.00003 0.00021 76 6 C 1S -0.00590 0.00277 0.00005 -0.00086 -0.00005 77 2S 0.01036 -0.00634 0.00005 0.00198 -0.00011 78 2PX 0.00028 -0.00181 0.01376 -0.00037 -0.00051 79 2PY -0.00540 0.01005 -0.00123 -0.00297 0.00121 80 2PZ -0.00015 -0.00113 -0.00080 -0.00007 0.01400 81 3S 0.01092 -0.00489 -0.00010 0.00383 0.00048 82 3PX -0.00003 -0.00073 0.00750 -0.00027 0.00176 83 3PY -0.00234 0.00272 0.00032 -0.00173 -0.00014 84 3PZ 0.00023 -0.00084 0.00179 0.00008 0.00726 85 4XX -0.00030 0.00031 0.00001 -0.00006 0.00016 86 4YY 0.00006 -0.00027 0.00003 -0.00017 0.00000 87 4ZZ -0.00027 0.00039 -0.00014 -0.00005 -0.00004 88 4XY -0.00003 0.00014 0.00039 -0.00008 -0.00095 89 4XZ -0.00017 -0.00005 0.00008 0.00003 -0.00010 90 4YZ 0.00000 0.00004 -0.00095 0.00010 0.00058 91 7 H 1S -0.00279 0.00172 0.00925 -0.00828 -0.01053 92 2S -0.00257 0.00276 0.00826 -0.00526 -0.00944 93 8 H 1S 0.00085 -0.00086 -0.00076 0.00119 0.00131 94 2S -0.00036 -0.00080 -0.00123 0.00077 0.00249 95 9 H 1S -0.00001 0.00006 0.00063 -0.00015 -0.00074 96 2S 0.00004 0.00027 0.00212 -0.00046 -0.00183 97 10 H 1S 0.00164 0.00106 -0.00675 -0.00002 0.00725 98 2S -0.00101 0.00187 -0.00672 -0.00048 0.00709 99 11 O 1S -0.00115 -0.00021 0.00021 -0.00004 -0.00044 100 2S 0.00219 0.00040 -0.00023 0.00058 0.00081 101 2PX -0.00154 -0.00339 -0.00635 -0.00099 -0.00575 102 2PY 0.00785 0.00026 -0.00163 0.00364 0.00616 103 2PZ 0.00608 -0.00474 -0.00598 0.00110 -0.00163 104 3S 0.00166 -0.00071 0.00010 0.00031 -0.00025 105 3PX -0.00143 -0.00204 -0.00472 -0.00084 -0.00377 106 3PY 0.00448 -0.00020 -0.00062 0.00217 0.00343 107 3PZ 0.00420 -0.00291 -0.00369 0.00096 -0.00168 108 4XX -0.00014 -0.00004 0.00003 0.00000 -0.00025 109 4YY 0.00035 0.00021 -0.00016 0.00008 0.00054 110 4ZZ -0.00010 -0.00004 0.00007 0.00000 -0.00009 111 4XY 0.00004 -0.00022 -0.00023 -0.00003 -0.00038 112 4XZ 0.00007 -0.00009 -0.00011 0.00003 0.00000 113 4YZ 0.00026 -0.00032 -0.00049 -0.00001 0.00010 114 12 O 1S 0.00023 0.00018 -0.00006 -0.00010 -0.00004 115 2S -0.00036 -0.00028 0.00001 0.00029 0.00036 116 2PX -0.00046 0.00116 0.00063 0.00016 -0.00307 117 2PY 0.00085 0.00022 0.00098 -0.00060 -0.00203 118 2PZ 0.00001 -0.00073 -0.00290 0.00023 0.00134 119 3S 0.00035 -0.00146 0.00075 0.00044 -0.00045 120 3PX -0.00020 0.00093 0.00053 0.00005 -0.00289 121 3PY 0.00029 0.00049 0.00039 -0.00040 -0.00122 122 3PZ -0.00007 -0.00058 -0.00263 0.00031 0.00107 123 4XX -0.00002 0.00005 -0.00006 -0.00001 0.00002 124 4YY -0.00007 0.00007 -0.00004 0.00001 0.00005 125 4ZZ 0.00000 0.00004 0.00000 -0.00001 0.00006 126 4XY 0.00006 -0.00002 0.00004 -0.00001 -0.00005 127 4XZ 0.00001 -0.00002 0.00003 0.00001 -0.00002 128 4YZ -0.00003 0.00000 -0.00004 0.00001 0.00004 129 13 C 1S 0.00011 -0.00010 -0.00001 -0.00001 0.00002 130 2S -0.00028 0.00022 0.00011 -0.00002 0.00009 131 2PX 0.00009 -0.00069 -0.00031 0.00026 -0.00019 132 2PY 0.00015 -0.00007 0.00013 0.00018 0.00007 133 2PZ -0.00015 -0.00025 -0.00010 0.00019 -0.00004 134 3S -0.00043 0.00012 -0.00022 -0.00035 -0.00062 135 3PX -0.00010 -0.00023 -0.00016 0.00023 -0.00007 136 3PY 0.00010 0.00004 0.00020 0.00015 0.00021 137 3PZ 0.00005 -0.00029 -0.00029 -0.00013 -0.00021 138 4XX 0.00000 -0.00010 -0.00006 0.00006 -0.00003 139 4YY -0.00001 0.00003 0.00003 -0.00001 0.00002 140 4ZZ 0.00002 0.00006 0.00005 -0.00005 0.00004 141 4XY 0.00000 -0.00006 -0.00003 0.00004 0.00001 142 4XZ 0.00002 -0.00004 -0.00001 0.00001 0.00000 143 4YZ 0.00000 -0.00004 -0.00002 0.00003 0.00002 144 14 H 1S -0.00005 -0.00056 -0.00035 0.00030 -0.00022 145 2S 0.00014 -0.00073 -0.00052 0.00034 -0.00030 146 15 H 1S 0.00006 0.00031 0.00020 -0.00023 0.00013 147 2S 0.00027 0.00021 0.00015 -0.00038 0.00019 148 16 C 1S 0.00007 0.00017 -0.00006 -0.00009 -0.00006 149 2S -0.00002 0.00015 0.00018 0.00015 0.00018 150 2PX 0.00009 0.00156 0.00106 -0.00114 0.00046 151 2PY -0.00008 -0.00019 -0.00041 -0.00003 -0.00015 152 2PZ 0.00040 0.00076 0.00044 -0.00040 0.00019 153 3S 0.00033 0.00043 0.00028 0.00063 -0.00010 154 3PX 0.00009 0.00110 0.00138 -0.00073 0.00094 155 3PY -0.00021 0.00021 -0.00020 0.00012 -0.00003 156 3PZ 0.00025 0.00051 0.00042 -0.00046 -0.00027 157 4XX -0.00002 -0.00010 -0.00005 -0.00001 -0.00003 158 4YY -0.00004 0.00005 0.00005 0.00000 0.00005 159 4ZZ 0.00003 0.00000 0.00001 -0.00001 0.00004 160 4XY -0.00001 0.00001 -0.00001 -0.00003 0.00001 161 4XZ 0.00007 -0.00004 -0.00001 -0.00004 -0.00001 162 4YZ 0.00001 0.00001 0.00001 -0.00001 0.00001 163 17 H 1S -0.00005 0.00030 0.00041 0.00004 0.00022 164 2S -0.00042 0.00029 -0.00014 -0.00015 -0.00013 165 18 C 1S -0.00016 -0.00030 0.00005 -0.00018 0.00012 166 2S -0.00001 0.00026 -0.00024 0.00038 -0.00024 167 2PX 0.00133 0.00070 0.00029 -0.00154 0.00019 168 2PY 0.00000 -0.00012 0.00004 -0.00020 0.00009 169 2PZ -0.00006 -0.00006 -0.00024 -0.00007 -0.00038 170 3S -0.00029 -0.00029 0.00001 0.00044 0.00042 171 3PX 0.00089 0.00035 -0.00023 -0.00104 -0.00022 172 3PY -0.00007 -0.00025 0.00027 -0.00007 -0.00008 173 3PZ 0.00024 0.00037 -0.00013 -0.00012 -0.00033 174 4XX 0.00002 -0.00001 0.00002 -0.00006 0.00004 175 4YY 0.00000 0.00003 -0.00002 0.00000 -0.00003 176 4ZZ -0.00001 0.00000 -0.00006 0.00003 -0.00004 177 4XY 0.00003 -0.00004 -0.00005 -0.00002 0.00000 178 4XZ 0.00000 -0.00006 -0.00003 0.00002 0.00000 179 4YZ 0.00003 -0.00001 0.00000 -0.00003 0.00003 180 19 H 1S -0.00030 0.00000 -0.00026 0.00047 -0.00036 181 2S -0.00027 -0.00027 0.00003 0.00016 -0.00032 182 20 C 1S 0.00003 -0.00011 0.00007 -0.00001 -0.00001 183 2S -0.00014 0.00033 0.00010 -0.00001 -0.00011 184 2PX 0.00030 -0.00060 0.00025 0.00021 0.00055 185 2PY 0.00012 -0.00027 -0.00013 0.00009 0.00005 186 2PZ 0.00011 -0.00037 -0.00008 0.00012 -0.00003 187 3S -0.00031 0.00034 -0.00063 0.00040 0.00013 188 3PX 0.00017 -0.00063 0.00055 0.00021 0.00083 189 3PY 0.00002 -0.00013 -0.00002 -0.00026 0.00015 190 3PZ 0.00007 -0.00047 -0.00012 0.00033 0.00031 191 4XX -0.00001 -0.00004 0.00000 0.00000 0.00002 192 4YY -0.00002 0.00001 0.00002 0.00000 -0.00001 193 4ZZ 0.00003 -0.00001 0.00003 -0.00003 -0.00001 194 4XY 0.00000 -0.00002 -0.00001 0.00002 -0.00001 195 4XZ 0.00005 -0.00004 -0.00003 -0.00004 0.00002 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00001 -0.00002 0.00002 0.00010 0.00003 198 2S 0.00003 -0.00001 0.00015 0.00020 -0.00045 199 22 C 1S -0.00001 -0.00002 -0.00003 -0.00001 0.00002 200 2S -0.00004 0.00007 -0.00028 0.00010 -0.00033 201 2PX 0.00108 -0.00052 -0.00043 -0.00082 0.00030 202 2PY 0.00002 -0.00003 -0.00012 0.00000 -0.00010 203 2PZ 0.00029 -0.00024 -0.00037 -0.00016 0.00013 204 3S 0.00026 0.00025 0.00038 -0.00039 0.00001 205 3PX 0.00075 -0.00039 -0.00066 -0.00057 -0.00008 206 3PY -0.00008 -0.00007 -0.00014 0.00004 -0.00041 207 3PZ 0.00012 -0.00037 -0.00059 0.00006 -0.00015 208 4XX 0.00002 -0.00004 0.00005 -0.00001 0.00003 209 4YY 0.00000 0.00001 -0.00004 0.00001 -0.00004 210 4ZZ -0.00002 0.00003 -0.00005 0.00000 -0.00006 211 4XY -0.00004 -0.00004 -0.00001 0.00006 0.00000 212 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 213 4YZ -0.00001 0.00000 0.00000 0.00001 0.00001 214 23 H 1S -0.00005 0.00006 -0.00022 0.00008 -0.00012 215 2S -0.00002 0.00016 0.00011 -0.00005 0.00037 16 17 18 19 20 16 2 C 1S 2.05393 17 2S -0.07106 0.35893 18 2PX -0.00042 0.00234 0.35083 19 2PY -0.00315 0.00827 0.01828 0.42511 20 2PZ 0.00113 -0.00373 -0.07308 0.01262 0.35656 21 3S -0.14865 0.25178 0.00324 0.04104 0.01455 22 3PX -0.00851 0.00971 0.09902 -0.02225 0.04794 23 3PY -0.06261 0.08421 -0.01335 -0.00906 -0.00452 24 3PZ -0.00688 0.00946 0.04583 -0.01333 0.10196 25 4XX -0.01176 -0.01381 0.00148 0.01380 -0.00163 26 4YY -0.01515 -0.00380 0.00054 -0.01736 0.00105 27 4ZZ -0.01176 -0.01366 -0.00081 0.01484 0.00237 28 4XY -0.00067 0.00224 0.00093 -0.00288 -0.01475 29 4XZ 0.00267 -0.00583 -0.00234 -0.00756 -0.00237 30 4YZ -0.00057 0.00148 -0.01464 -0.00071 0.00227 31 3 C 1S 0.01430 -0.03014 -0.04901 -0.03346 0.03987 32 2S -0.03003 0.05494 0.09857 0.05884 -0.07955 33 2PX 0.04837 -0.10200 -0.08232 -0.11346 0.16452 34 2PY 0.03623 -0.08133 -0.11691 -0.06413 0.08376 35 2PZ -0.04281 0.09185 0.16414 0.08373 -0.06004 36 3S 0.02147 -0.00342 0.13518 0.11996 -0.11690 37 3PX 0.00201 -0.01794 -0.03620 -0.06386 0.09358 38 3PY 0.01943 -0.03211 -0.06600 0.01822 0.04993 39 3PZ 0.00471 0.00731 0.07115 0.06109 -0.02878 40 4XX -0.00240 0.00395 -0.00422 0.00303 -0.00343 41 4YY 0.00050 -0.00235 -0.00166 -0.00969 0.00113 42 4ZZ -0.00068 0.00029 -0.00028 0.00009 0.00747 43 4XY -0.00402 0.00797 0.00489 0.00038 -0.00749 44 4XZ 0.00357 -0.00741 -0.00343 -0.00750 0.00137 45 4YZ 0.00332 -0.00643 -0.00771 -0.00049 0.00269 46 4 C 1S -0.00330 0.00880 0.00738 0.00944 -0.00832 47 2S 0.00758 -0.01833 -0.01898 -0.02334 0.01803 48 2PX -0.00220 0.01244 0.01572 0.00378 0.00753 49 2PY -0.01401 0.03692 0.03465 0.03553 -0.01198 50 2PZ 0.00381 -0.00607 -0.00839 -0.00901 0.01812 51 3S -0.01197 0.00042 -0.01402 -0.07422 0.03482 52 3PX 0.00060 0.00815 0.01174 0.00272 -0.00979 53 3PY 0.00024 0.01060 0.00918 0.04310 -0.00219 54 3PZ -0.00401 0.00426 -0.00199 -0.00673 0.01603 55 4XX -0.00022 0.00062 -0.00028 0.00014 -0.00104 56 4YY -0.00058 0.00104 0.00161 0.00159 -0.00155 57 4ZZ -0.00048 0.00127 0.00123 0.00016 -0.00076 58 4XY -0.00146 0.00307 0.00261 0.00419 -0.00582 59 4XZ -0.00009 0.00021 -0.00062 -0.00002 -0.00082 60 4YZ 0.00140 -0.00291 -0.00607 -0.00272 0.00217 61 5 C 1S -0.00388 0.00590 -0.00034 0.00832 0.00034 62 2S 0.00590 -0.01270 0.00122 -0.02204 0.00223 63 2PX -0.00034 0.00120 -0.02261 0.00185 0.01578 64 2PY -0.00832 0.02204 -0.00188 0.02733 0.00028 65 2PZ 0.00034 0.00223 0.01578 -0.00026 -0.02586 66 3S 0.01969 -0.02696 -0.00129 -0.02664 -0.02064 67 3PX 0.00061 0.00064 -0.00865 0.00270 0.00248 68 3PY -0.01745 0.02245 -0.00196 -0.01005 0.00906 69 3PZ 0.00273 -0.00244 0.00455 0.00303 -0.00810 70 4XX -0.00055 0.00082 -0.00006 0.00004 0.00061 71 4YY -0.00043 -0.00026 -0.00090 -0.00154 -0.00083 72 4ZZ -0.00058 0.00059 0.00078 -0.00022 0.00022 73 4XY 0.00002 -0.00018 0.00063 0.00032 -0.00268 74 4XZ -0.00016 0.00003 -0.00021 -0.00023 -0.00011 75 4YZ -0.00014 -0.00009 -0.00258 0.00057 0.00062 76 6 C 1S -0.00349 0.00919 -0.00691 0.01004 0.00813 77 2S 0.00777 -0.01901 0.01650 -0.02511 -0.02010 78 2PX 0.00387 -0.00739 0.02274 -0.01216 0.00246 79 2PY -0.01409 0.03824 -0.01791 0.03847 0.03016 80 2PZ -0.00387 0.01121 0.00295 0.00590 0.01991 81 3S -0.01427 0.00310 0.01203 -0.08121 0.00087 82 3PX -0.00462 0.00323 0.00847 -0.00898 -0.00029 83 3PY -0.00054 0.01200 -0.00215 0.04248 -0.00033 84 3PZ 0.00399 -0.00002 -0.00435 0.00399 0.00249 85 4XX -0.00040 0.00101 -0.00022 -0.00005 0.00083 86 4YY -0.00047 0.00098 -0.00147 0.00208 0.00193 87 4ZZ -0.00030 0.00083 -0.00081 0.00018 0.00036 88 4XY 0.00145 -0.00300 0.00209 -0.00330 -0.00636 89 4XZ 0.00007 -0.00028 0.00015 -0.00055 -0.00082 90 4YZ -0.00171 0.00347 -0.00614 0.00469 0.00378 91 7 H 1S 0.01118 -0.02464 0.03222 -0.01465 -0.03620 92 2S 0.02051 -0.03682 0.06359 0.00999 -0.06802 93 8 H 1S 0.01057 -0.02370 -0.03593 -0.01179 0.02696 94 2S 0.01894 -0.03653 -0.06586 0.00943 0.05525 95 9 H 1S -0.00715 0.01651 0.02616 0.01592 -0.01422 96 2S -0.00978 0.02054 0.04143 0.02336 -0.02513 97 10 H 1S -0.00870 0.01984 -0.02050 0.02157 0.02622 98 2S -0.01164 0.02370 -0.03374 0.03191 0.04403 99 11 O 1S 0.01198 -0.01352 0.00587 0.04791 0.00441 100 2S -0.02019 0.02283 -0.01437 -0.10931 -0.01152 101 2PX -0.01443 0.02839 0.19029 -0.08777 0.11282 102 2PY -0.10095 0.21650 -0.08651 -0.37726 -0.06845 103 2PZ -0.00994 0.02131 0.11514 -0.06613 0.18700 104 3S -0.01542 -0.03041 0.00372 -0.02843 0.00358 105 3PX -0.00793 0.01419 0.10949 -0.04900 0.08139 106 3PY -0.05778 0.11231 -0.04661 -0.19834 -0.03863 107 3PZ -0.00549 0.01108 0.08265 -0.03827 0.10513 108 4XX 0.00417 -0.00502 0.00431 0.00412 0.00086 109 4YY -0.00877 0.01902 -0.00784 -0.02078 -0.00615 110 4ZZ 0.00428 -0.00521 0.00084 0.00478 0.00280 111 4XY -0.00201 0.00379 0.01673 -0.00675 0.00290 112 4XZ -0.00018 0.00046 0.00202 -0.00184 0.00265 113 4YZ -0.00135 0.00243 0.00293 -0.00488 0.01710 114 12 O 1S -0.00038 0.00090 0.00020 -0.00037 0.00015 115 2S -0.00075 0.00027 -0.00125 -0.00236 -0.00068 116 2PX 0.00016 -0.00113 -0.00827 0.00274 -0.01468 117 2PY 0.00199 -0.00844 -0.00112 -0.00815 -0.00278 118 2PZ -0.00017 -0.00163 -0.01108 0.00276 -0.00524 119 3S 0.01076 -0.01491 0.00148 0.01327 -0.00077 120 3PX 0.00074 -0.00216 -0.00364 0.00219 -0.01308 121 3PY -0.00103 -0.00191 -0.00165 -0.00863 -0.00318 122 3PZ -0.00015 -0.00170 -0.01013 0.00195 -0.00158 123 4XX -0.00071 0.00063 -0.00047 -0.00110 -0.00030 124 4YY -0.00048 0.00076 0.00017 -0.00033 0.00039 125 4ZZ -0.00072 0.00061 -0.00030 -0.00118 -0.00030 126 4XY -0.00001 -0.00006 0.00089 -0.00045 0.00032 127 4XZ 0.00013 -0.00027 -0.00018 -0.00012 -0.00030 128 4YZ 0.00006 -0.00014 0.00017 -0.00031 0.00094 129 13 C 1S 0.00064 -0.00136 -0.00061 -0.00150 0.00306 130 2S -0.00211 0.00349 0.00037 0.00365 -0.00892 131 2PX 0.00170 -0.00527 0.00333 -0.00588 0.01031 132 2PY 0.00108 -0.00467 -0.00379 -0.00228 0.00125 133 2PZ 0.00147 -0.00157 -0.00304 -0.00238 0.00371 134 3S 0.00063 0.00274 0.01973 0.01101 -0.00047 135 3PX -0.00108 -0.00029 0.00328 -0.00306 -0.00235 136 3PY 0.00115 -0.00412 -0.01020 -0.00116 -0.00150 137 3PZ 0.00135 0.00118 0.00966 0.00389 0.01144 138 4XX 0.00049 -0.00099 -0.00024 -0.00091 0.00137 139 4YY -0.00005 0.00020 -0.00003 0.00030 -0.00052 140 4ZZ -0.00027 0.00072 0.00067 0.00084 -0.00067 141 4XY 0.00043 -0.00105 -0.00026 -0.00097 0.00162 142 4XZ 0.00005 -0.00025 -0.00004 -0.00057 0.00080 143 4YZ 0.00013 -0.00068 -0.00046 -0.00054 0.00088 144 14 H 1S 0.00151 -0.00432 0.00005 -0.00482 0.00686 145 2S 0.00321 -0.00689 -0.00474 -0.00783 0.01284 146 15 H 1S -0.00202 0.00337 0.00309 0.00388 -0.00502 147 2S -0.00129 0.00425 0.00711 0.00593 0.00249 148 16 C 1S -0.00136 0.00288 0.00432 0.00208 0.00038 149 2S 0.00375 -0.00716 -0.01331 -0.00152 0.00081 150 2PX -0.00681 0.02261 -0.00004 0.01917 -0.02886 151 2PY -0.00016 0.00133 0.00717 -0.00124 0.00457 152 2PZ -0.00106 0.00430 -0.00636 0.00369 -0.00975 153 3S -0.00551 0.00077 -0.01957 -0.02225 -0.02711 154 3PX -0.00452 0.01466 -0.00839 0.01687 -0.02210 155 3PY -0.00489 0.00248 -0.00684 -0.00706 -0.01080 156 3PZ -0.00601 0.01129 0.01183 0.00024 -0.01489 157 4XX -0.00052 0.00071 0.00315 0.00045 0.00160 158 4YY -0.00010 -0.00007 -0.00189 0.00051 -0.00088 159 4ZZ 0.00006 -0.00030 -0.00090 -0.00002 0.00055 160 4XY -0.00026 0.00075 0.00088 0.00052 -0.00019 161 4XZ 0.00005 0.00030 0.00146 0.00017 0.00114 162 4YZ 0.00006 0.00002 -0.00014 -0.00001 -0.00016 163 17 H 1S 0.00070 -0.00179 -0.01145 0.00064 -0.00600 164 2S -0.00093 -0.00125 -0.00499 0.00275 -0.00139 165 18 C 1S -0.00144 0.00187 0.00260 0.00071 0.00091 166 2S 0.00057 -0.00312 -0.00900 -0.00407 -0.00565 167 2PX -0.00505 0.02017 0.01799 0.01264 -0.00398 168 2PY -0.00049 0.00202 0.00264 -0.00032 0.00265 169 2PZ -0.00281 0.00782 0.01447 0.00578 -0.00472 170 3S 0.01618 -0.01800 -0.01135 0.01254 0.01530 171 3PX -0.00431 0.01439 0.01529 0.00997 0.00035 172 3PY 0.00231 -0.00204 0.00806 0.00197 0.00250 173 3PZ -0.00812 0.01199 0.00447 -0.00264 -0.01759 174 4XX -0.00102 0.00132 0.00095 0.00036 0.00053 175 4YY -0.00047 0.00022 -0.00059 0.00000 -0.00064 176 4ZZ 0.00002 -0.00051 -0.00078 -0.00031 0.00014 177 4XY -0.00009 0.00018 0.00118 -0.00022 0.00154 178 4XZ -0.00001 -0.00031 0.00056 -0.00038 0.00114 179 4YZ 0.00000 0.00000 -0.00017 -0.00016 0.00077 180 19 H 1S 0.00048 -0.00240 -0.00079 -0.00049 -0.00468 181 2S 0.00109 -0.00237 0.01015 0.00067 0.00536 182 20 C 1S 0.00044 -0.00078 0.00151 -0.00140 0.00329 183 2S -0.00118 0.00248 0.00038 0.00421 -0.00767 184 2PX 0.00336 -0.01222 0.00016 -0.01194 0.02321 185 2PY 0.00147 -0.00461 -0.00003 -0.00597 0.00956 186 2PZ 0.00165 -0.00576 0.00477 -0.00572 0.01344 187 3S 0.00165 -0.00238 -0.01536 0.00264 -0.00950 188 3PX 0.00215 -0.00934 0.00057 -0.01215 0.01860 189 3PY -0.00072 0.00217 0.00966 0.00503 0.00568 190 3PZ 0.00456 -0.01138 -0.00857 -0.01036 0.01410 191 4XX 0.00027 -0.00013 0.00020 0.00003 0.00038 192 4YY 0.00010 -0.00015 -0.00001 0.00003 -0.00023 193 4ZZ -0.00012 0.00039 0.00113 0.00034 0.00024 194 4XY 0.00029 -0.00051 -0.00038 -0.00028 0.00035 195 4XZ -0.00007 0.00044 0.00105 0.00010 0.00131 196 4YZ -0.00005 0.00007 -0.00009 -0.00003 -0.00017 197 21 H 1S 0.00092 -0.00307 -0.00209 -0.00300 0.00290 198 2S 0.00199 -0.00613 -0.00549 -0.00822 0.00229 199 22 C 1S 0.00026 0.00003 -0.00032 0.00025 0.00028 200 2S 0.00058 -0.00071 0.00017 0.00070 -0.00099 201 2PX -0.00156 0.00533 0.02103 -0.00099 0.02517 202 2PY -0.00041 -0.00009 0.00288 0.00121 0.00181 203 2PZ -0.00026 0.00136 0.00303 -0.00153 0.00756 204 3S -0.01012 0.01397 0.01175 -0.00156 -0.00530 205 3PX -0.00148 0.00495 0.01656 0.00153 0.01677 206 3PY 0.00247 -0.00264 0.00431 0.00287 0.00215 207 3PZ 0.00419 -0.00568 -0.00101 -0.00148 0.01207 208 4XX 0.00025 -0.00021 0.00027 0.00019 0.00058 209 4YY 0.00018 -0.00022 -0.00028 -0.00020 0.00004 210 4ZZ -0.00004 0.00035 0.00011 0.00081 -0.00096 211 4XY 0.00019 -0.00100 -0.00076 -0.00072 0.00061 212 4XZ -0.00004 0.00020 -0.00004 0.00019 -0.00045 213 4YZ 0.00005 -0.00024 -0.00072 -0.00012 -0.00007 214 23 H 1S -0.00011 0.00004 -0.00185 0.00036 -0.00162 215 2S -0.00126 0.00225 -0.00310 0.00171 -0.00367 21 22 23 24 25 21 3S 0.22047 22 3PX 0.01065 0.05211 23 3PY 0.05837 0.00020 0.03644 24 3PZ 0.01066 0.03074 0.00022 0.05180 25 4XX -0.00733 -0.00229 -0.00509 -0.00083 0.00204 26 4YY -0.00677 0.00227 0.00275 0.00145 -0.00101 27 4ZZ -0.00691 -0.00094 -0.00474 -0.00130 0.00091 28 4XY -0.00141 -0.00606 0.00023 -0.00187 0.00044 29 4XZ -0.00402 -0.00075 -0.00027 -0.00117 -0.00021 30 4YZ 0.00093 -0.00162 0.00093 -0.00586 -0.00038 31 3 C 1S 0.01050 0.00683 0.00871 -0.00530 -0.00256 32 2S 0.00990 0.00251 0.00752 0.00240 0.00355 33 2PX -0.08717 0.01180 -0.03669 0.02632 0.00821 34 2PY -0.06267 -0.01233 0.02127 0.00809 -0.00660 35 2PZ 0.07431 0.02613 0.02421 0.01753 0.00597 36 3S -0.04750 -0.01867 -0.02522 0.00536 0.01386 37 3PX -0.01688 0.01174 -0.00860 0.01651 0.00442 38 3PY -0.01980 -0.01055 0.00081 0.00062 -0.00077 39 3PZ 0.00296 0.00364 -0.00393 0.00442 0.00719 40 4XX 0.00430 -0.00200 0.00088 -0.00233 -0.00002 41 4YY -0.00247 0.00071 0.00095 0.00046 -0.00046 42 4ZZ 0.00054 0.00149 -0.00166 0.00201 0.00006 43 4XY 0.00504 0.00040 0.00196 -0.00169 -0.00009 44 4XZ -0.00457 -0.00046 -0.00148 -0.00021 0.00006 45 4YZ -0.00690 -0.00270 -0.00189 -0.00071 0.00036 46 4 C 1S -0.00274 -0.00029 -0.01160 -0.00426 0.00037 47 2S -0.01121 -0.00379 0.01306 0.00969 -0.00096 48 2PX -0.00368 0.01025 -0.00392 -0.00610 0.00582 49 2PY 0.05527 0.00600 -0.01755 -0.00286 0.00458 50 2PZ -0.04139 -0.01608 0.00212 0.01369 0.00358 51 3S 0.01574 0.00107 0.02642 0.02458 -0.00367 52 3PX -0.01214 0.00356 -0.00171 -0.00870 0.00373 53 3PY 0.01291 -0.00779 -0.00919 0.00261 0.00483 54 3PZ -0.01253 -0.00653 0.00437 0.00963 0.00226 55 4XX 0.00056 -0.00030 -0.00034 -0.00050 -0.00001 56 4YY -0.00024 0.00004 0.00033 -0.00010 0.00004 57 4ZZ 0.00168 0.00063 -0.00095 -0.00055 0.00004 58 4XY 0.00285 -0.00023 0.00143 -0.00105 -0.00031 59 4XZ -0.00023 -0.00051 0.00009 -0.00024 -0.00008 60 4YZ -0.00373 -0.00150 -0.00094 -0.00031 -0.00024 61 5 C 1S 0.01969 0.00060 0.01745 0.00273 -0.00055 62 2S -0.02696 0.00065 -0.02245 -0.00244 0.00082 63 2PX -0.00131 -0.00866 0.00196 0.00456 -0.00006 64 2PY 0.02665 -0.00270 -0.01004 -0.00303 -0.00004 65 2PZ -0.02063 0.00249 -0.00906 -0.00810 0.00061 66 3S -0.04381 -0.00413 -0.02727 -0.01050 0.00112 67 3PX -0.00415 0.00236 -0.00177 -0.00551 -0.00045 68 3PY 0.02726 0.00176 0.00388 0.00458 -0.00091 69 3PZ -0.01050 -0.00550 -0.00459 0.00352 0.00088 70 4XX 0.00112 -0.00046 0.00091 0.00088 0.00038 71 4YY -0.00088 0.00008 0.00105 -0.00032 -0.00026 72 4ZZ 0.00195 0.00054 0.00055 -0.00002 -0.00026 73 4XY -0.00017 0.00203 -0.00034 -0.00242 0.00014 74 4XZ -0.00079 -0.00007 0.00008 -0.00029 -0.00012 75 4YZ 0.00181 -0.00213 0.00039 0.00213 -0.00005 76 6 C 1S 0.00151 -0.00261 -0.00908 -0.00006 0.00031 77 2S -0.01516 0.00755 0.01304 -0.00315 -0.00058 78 2PX -0.04151 0.01562 -0.00698 -0.01248 -0.00549 79 2PY 0.05009 -0.01000 -0.02558 0.00626 0.00179 80 2PZ 0.03066 -0.01372 0.00149 0.01734 -0.00476 81 3S 0.00302 0.01677 0.01777 0.00378 -0.00224 82 3PX -0.01007 0.00575 -0.00139 -0.00747 -0.00389 83 3PY 0.01715 -0.00019 -0.00892 -0.00830 0.00060 84 3PZ 0.00211 -0.01165 -0.00174 0.00375 -0.00300 85 4XX 0.00082 -0.00037 -0.00088 0.00037 0.00002 86 4YY 0.00027 -0.00005 0.00058 0.00018 0.00003 87 4ZZ 0.00150 -0.00048 -0.00062 0.00013 0.00004 88 4XY -0.00427 -0.00019 -0.00167 -0.00164 0.00039 89 4XZ -0.00072 0.00029 0.00009 -0.00054 -0.00003 90 4YZ 0.00508 -0.00123 0.00213 0.00037 0.00003 91 7 H 1S -0.04028 -0.00038 -0.03063 -0.00822 0.00413 92 2S -0.04595 -0.00196 -0.03041 -0.00901 0.00500 93 8 H 1S -0.03546 -0.00773 -0.02342 -0.00017 0.00230 94 2S -0.03512 -0.00880 -0.02089 -0.00286 0.00104 95 9 H 1S 0.03718 0.01238 -0.00065 -0.00518 0.00091 96 2S 0.03359 0.01506 -0.00189 -0.00805 0.00105 97 10 H 1S 0.04564 -0.01160 0.00411 0.01358 -0.00005 98 2S 0.04649 -0.01255 0.00529 0.01612 -0.00038 99 11 O 1S 0.03099 0.00006 -0.00118 0.00036 0.00509 100 2S -0.07942 0.00283 0.02826 0.00024 -0.01122 101 2PX 0.04187 0.13954 0.00959 0.04628 -0.01350 102 2PY 0.15589 -0.01118 0.06286 -0.01370 -0.01760 103 2PZ 0.01338 0.04686 0.00230 0.13647 0.00004 104 3S -0.13615 0.00640 0.02986 0.00447 -0.00940 105 3PX 0.02572 0.08947 0.00684 0.02801 -0.00906 106 3PY 0.08296 -0.00706 0.03557 -0.00797 -0.00908 107 3PZ 0.00579 0.02801 0.00151 0.08694 0.00042 108 4XX -0.00142 0.00144 -0.00253 0.00040 0.00045 109 4YY 0.01497 -0.00208 0.00434 -0.00201 -0.00105 110 4ZZ -0.00172 -0.00002 -0.00255 0.00092 0.00048 111 4XY 0.00348 0.00853 0.00078 0.00347 -0.00072 112 4XZ -0.00004 0.00139 0.00044 0.00156 -0.00018 113 4YZ 0.00210 0.00356 0.00041 0.00842 -0.00018 114 12 O 1S -0.00314 0.00030 -0.00210 -0.00068 0.00011 115 2S 0.00508 -0.00102 -0.00112 0.00025 -0.00031 116 2PX -0.00512 0.02021 -0.00962 -0.02682 0.00055 117 2PY 0.00053 0.00203 0.01967 0.00398 0.00035 118 2PZ 0.00700 -0.02099 -0.00376 0.02331 0.00017 119 3S -0.00883 -0.00035 0.00963 0.00138 0.00016 120 3PX -0.00387 0.01471 -0.00586 -0.01910 0.00045 121 3PY 0.00400 0.00089 0.00833 0.00149 0.00018 122 3PZ 0.00700 -0.01461 -0.00105 0.01670 -0.00001 123 4XX 0.00061 0.00008 0.00014 -0.00022 -0.00001 124 4YY 0.00021 -0.00007 -0.00181 -0.00021 0.00000 125 4ZZ 0.00079 -0.00019 0.00013 0.00014 -0.00008 126 4XY 0.00021 -0.00051 0.00059 0.00101 -0.00004 127 4XZ -0.00042 -0.00008 -0.00005 -0.00006 -0.00002 128 4YZ 0.00016 0.00080 0.00055 -0.00061 -0.00003 129 13 C 1S -0.00289 -0.00033 -0.00299 0.00119 0.00060 130 2S 0.01125 0.00092 0.00446 -0.00560 -0.00134 131 2PX -0.00942 0.00366 -0.00949 0.00960 0.00191 132 2PY -0.00536 -0.00409 -0.00439 0.00894 0.00052 133 2PZ -0.01567 -0.00576 -0.01060 0.00489 0.00015 134 3S 0.01217 0.01277 0.00666 -0.00032 -0.00270 135 3PX -0.00062 0.00057 -0.00629 0.00307 0.00058 136 3PY -0.00564 -0.00635 -0.00402 0.00229 0.00076 137 3PZ -0.00655 0.00406 -0.00372 0.00710 0.00023 138 4XX -0.00138 -0.00005 -0.00167 0.00048 0.00041 139 4YY -0.00018 -0.00048 0.00011 0.00009 -0.00013 140 4ZZ 0.00138 0.00043 0.00119 -0.00020 -0.00018 141 4XY -0.00018 0.00024 -0.00065 0.00011 0.00020 142 4XZ -0.00047 0.00019 -0.00012 0.00036 0.00010 143 4YZ 0.00034 0.00002 -0.00027 0.00038 0.00013 144 14 H 1S -0.00679 0.00153 -0.00855 0.00455 0.00171 145 2S -0.01253 -0.00031 -0.00978 0.00444 0.00336 146 15 H 1S 0.01481 0.00503 0.01013 -0.00493 -0.00105 147 2S 0.01037 0.00615 0.00916 0.00029 -0.00065 148 16 C 1S 0.00675 0.00417 -0.00115 0.00040 -0.00087 149 2S -0.01192 -0.01172 -0.00822 -0.00203 0.00106 150 2PX 0.00049 -0.00408 0.02699 -0.00709 -0.00744 151 2PY 0.00376 0.00956 -0.00356 -0.00692 -0.00003 152 2PZ -0.01262 -0.00328 -0.00010 0.00332 -0.00284 153 3S -0.00613 -0.02020 -0.00774 -0.00773 0.00093 154 3PX -0.00241 -0.00865 0.01540 -0.00639 -0.00439 155 3PY 0.00129 -0.00146 -0.00093 -0.00806 -0.00056 156 3PZ -0.00284 0.00266 0.00689 0.00151 -0.00317 157 4XX 0.00100 0.00146 -0.00043 0.00094 0.00028 158 4YY 0.00012 -0.00108 0.00055 -0.00043 -0.00016 159 4ZZ -0.00041 0.00014 0.00036 -0.00017 -0.00002 160 4XY 0.00064 0.00043 0.00030 -0.00005 -0.00009 161 4XZ -0.00122 0.00032 0.00041 0.00086 0.00022 162 4YZ -0.00085 -0.00029 -0.00021 0.00039 -0.00002 163 17 H 1S -0.00508 -0.01119 0.00207 0.00121 -0.00034 164 2S -0.00410 -0.00232 0.00432 0.00095 -0.00177 165 18 C 1S 0.00559 0.00231 0.00034 0.00157 -0.00044 166 2S -0.00772 -0.00405 -0.00210 -0.00274 -0.00012 167 2PX -0.01535 0.00010 0.02409 0.00829 -0.00075 168 2PY -0.00413 0.00316 0.00574 0.00007 -0.00001 169 2PZ 0.01046 0.00309 0.01437 -0.00039 0.00045 170 3S -0.00791 -0.00153 -0.00783 -0.00163 0.00274 171 3PX -0.00831 0.00171 0.01633 0.00653 0.00035 172 3PY 0.00050 0.00383 0.00023 0.00035 0.00042 173 3PZ 0.00184 -0.00276 0.00989 -0.00336 -0.00056 174 4XX 0.00069 0.00050 0.00069 0.00041 -0.00017 175 4YY 0.00047 -0.00019 0.00068 -0.00023 -0.00003 176 4ZZ 0.00007 -0.00039 -0.00082 -0.00028 0.00017 177 4XY 0.00052 0.00058 0.00031 0.00068 0.00022 178 4XZ 0.00028 0.00033 -0.00062 0.00041 0.00027 179 4YZ -0.00108 -0.00029 -0.00012 0.00069 0.00007 180 19 H 1S 0.00743 -0.00081 -0.00061 -0.00382 0.00036 181 2S 0.00909 0.00499 -0.00064 0.00098 0.00006 182 20 C 1S -0.00332 0.00017 -0.00104 0.00150 0.00055 183 2S 0.00738 -0.00013 0.00454 -0.00123 -0.00108 184 2PX -0.00072 0.00367 -0.00101 0.01202 0.00053 185 2PY -0.00437 0.00482 -0.00079 0.00116 0.00033 186 2PZ 0.01389 0.00874 0.00150 0.00149 0.00095 187 3S 0.00593 -0.00859 0.00173 -0.00332 -0.00076 188 3PX 0.00115 0.00307 -0.00133 0.00777 0.00047 189 3PY -0.00063 0.00529 0.00141 0.00334 -0.00030 190 3PZ 0.00180 0.00206 -0.00196 0.00038 0.00116 191 4XX -0.00114 -0.00020 -0.00074 0.00030 0.00017 192 4YY -0.00033 0.00007 -0.00013 -0.00032 -0.00013 193 4ZZ 0.00089 0.00056 0.00059 0.00010 0.00008 194 4XY -0.00037 0.00005 -0.00012 -0.00020 0.00005 195 4XZ -0.00028 0.00033 0.00039 0.00054 0.00027 196 4YZ 0.00004 -0.00022 -0.00002 -0.00003 -0.00001 197 21 H 1S -0.00232 0.00174 0.00054 0.00017 -0.00052 198 2S -0.00414 0.00245 -0.00149 -0.00295 -0.00005 199 22 C 1S -0.00184 -0.00147 -0.00387 0.00010 0.00006 200 2S 0.00456 0.00215 0.00563 -0.00100 0.00027 201 2PX 0.00101 0.00842 0.01536 0.01440 0.00348 202 2PY 0.01007 0.00149 -0.00192 0.00095 0.00021 203 2PZ -0.01319 -0.00251 0.00208 0.00672 0.00128 204 3S 0.00439 0.00364 0.01006 0.00329 -0.00112 205 3PX 0.00078 0.00590 0.00957 0.01019 0.00312 206 3PY 0.00563 0.00264 -0.00179 -0.00048 0.00103 207 3PZ -0.00560 -0.00009 0.00041 0.00390 0.00193 208 4XX -0.00020 0.00010 -0.00022 0.00025 0.00001 209 4YY -0.00059 0.00001 -0.00012 -0.00004 -0.00001 210 4ZZ 0.00060 -0.00019 -0.00001 -0.00025 -0.00002 211 4XY 0.00072 0.00014 -0.00088 -0.00021 0.00004 212 4XZ -0.00046 -0.00018 -0.00018 -0.00029 0.00004 213 4YZ -0.00063 -0.00037 -0.00059 -0.00002 -0.00002 214 23 H 1S -0.00204 -0.00201 -0.00070 0.00068 -0.00006 215 2S -0.00312 -0.00357 -0.00160 0.00062 -0.00085 26 27 28 29 30 26 4YY 0.00224 27 4ZZ -0.00086 0.00197 28 4XY -0.00008 -0.00059 0.00342 29 4XZ 0.00057 -0.00027 0.00028 0.00061 30 4YZ -0.00006 0.00032 -0.00139 0.00036 0.00360 31 3 C 1S 0.00093 -0.00098 -0.00529 0.00362 0.00555 32 2S -0.00244 0.00037 0.00977 -0.00645 -0.01060 33 2PX 0.00062 -0.00106 -0.00520 0.00195 0.01504 34 2PY 0.01290 -0.00253 -0.00363 0.00638 0.00449 35 2PZ -0.00266 -0.01043 0.01263 0.00168 -0.00354 36 3S -0.00699 0.00157 0.02525 -0.00723 -0.02373 37 3PX -0.00041 -0.00298 -0.00197 0.00089 0.01027 38 3PY 0.00247 0.00096 -0.00002 0.00159 -0.00039 39 3PZ -0.00313 -0.00337 0.00878 0.00091 -0.00046 40 4XX -0.00022 -0.00016 0.00003 0.00012 0.00036 41 4YY 0.00071 -0.00032 -0.00025 0.00028 0.00022 42 4ZZ -0.00026 0.00030 -0.00047 -0.00018 0.00019 43 4XY -0.00010 -0.00045 0.00043 -0.00003 0.00011 44 4XZ 0.00037 -0.00017 0.00003 0.00047 0.00028 45 4YZ -0.00013 0.00048 -0.00014 -0.00016 0.00034 46 4 C 1S -0.00186 0.00073 -0.00042 -0.00047 -0.00040 47 2S 0.00374 -0.00160 0.00085 0.00110 0.00045 48 2PX -0.00206 -0.00272 0.00194 -0.00047 0.00551 49 2PY -0.00969 0.00168 -0.00170 -0.00175 0.00266 50 2PZ -0.00003 -0.00254 0.00197 -0.00053 0.00284 51 3S 0.00454 -0.00364 -0.00539 0.00240 0.00843 52 3PX -0.00108 -0.00183 0.00152 -0.00041 0.00429 53 3PY -0.00468 0.00038 0.00473 -0.00147 -0.00301 54 3PZ -0.00093 -0.00147 0.00109 -0.00044 0.00287 55 4XX -0.00015 0.00005 -0.00018 -0.00007 -0.00015 56 4YY 0.00012 -0.00003 0.00022 -0.00013 -0.00023 57 4ZZ -0.00029 0.00011 0.00001 -0.00001 0.00009 58 4XY 0.00001 0.00007 0.00013 -0.00008 -0.00063 59 4XZ 0.00012 0.00000 -0.00002 -0.00001 -0.00012 60 4YZ 0.00013 0.00036 -0.00049 -0.00011 0.00006 61 5 C 1S -0.00043 -0.00058 -0.00002 -0.00016 0.00014 62 2S -0.00026 0.00059 0.00018 0.00003 0.00009 63 2PX -0.00090 0.00078 -0.00063 -0.00021 0.00258 64 2PY 0.00154 0.00022 0.00032 0.00023 0.00057 65 2PZ -0.00083 0.00022 0.00269 -0.00011 -0.00062 66 3S -0.00088 0.00195 0.00017 -0.00079 -0.00182 67 3PX 0.00007 0.00054 -0.00203 -0.00007 0.00213 68 3PY -0.00105 -0.00055 -0.00034 -0.00008 0.00039 69 3PZ -0.00031 -0.00002 0.00242 -0.00029 -0.00213 70 4XX -0.00026 -0.00026 -0.00014 -0.00012 0.00005 71 4YY 0.00060 -0.00023 -0.00001 0.00013 -0.00006 72 4ZZ -0.00023 0.00029 0.00024 0.00006 0.00009 73 4XY 0.00001 -0.00024 -0.00037 -0.00008 -0.00039 74 4XZ 0.00013 0.00006 0.00008 0.00003 0.00005 75 4YZ 0.00006 -0.00009 -0.00039 -0.00005 -0.00036 76 6 C 1S -0.00177 0.00090 -0.00013 -0.00044 -0.00020 77 2S 0.00373 -0.00197 0.00035 0.00101 0.00046 78 2PX 0.00018 0.00611 0.00667 0.00198 0.00590 79 2PY -0.00904 0.00313 0.00131 -0.00134 -0.00186 80 2PZ -0.00135 0.00608 0.00671 0.00160 0.00373 81 3S 0.00431 -0.00542 0.00595 0.00195 -0.00601 82 3PX -0.00070 0.00407 0.00492 0.00146 0.00406 83 3PY -0.00335 0.00278 -0.00370 -0.00062 0.00491 84 3PZ -0.00024 0.00408 0.00559 0.00126 0.00251 85 4XX -0.00024 0.00009 0.00013 -0.00001 0.00001 86 4YY 0.00007 0.00006 -0.00019 -0.00013 0.00025 87 4ZZ -0.00022 0.00002 -0.00002 -0.00003 -0.00014 88 4XY 0.00004 -0.00023 0.00010 -0.00009 -0.00053 89 4XZ 0.00014 -0.00003 -0.00004 0.00002 0.00003 90 4YZ -0.00006 -0.00025 -0.00062 -0.00006 0.00021 91 7 H 1S -0.00416 0.00485 0.00140 -0.00429 -0.00182 92 2S -0.00354 0.00362 0.00601 -0.00271 -0.00711 93 8 H 1S -0.00360 0.00647 -0.00324 -0.00507 -0.00014 94 2S -0.00278 0.00711 -0.00740 -0.00292 0.00559 95 9 H 1S -0.00236 0.00004 0.00068 0.00013 0.00003 96 2S -0.00298 0.00016 0.00217 -0.00003 -0.00115 97 10 H 1S -0.00227 0.00058 -0.00075 -0.00019 0.00039 98 2S -0.00285 0.00120 -0.00265 -0.00051 0.00177 99 11 O 1S -0.01296 0.00527 -0.00271 -0.00171 -0.00167 100 2S 0.02386 -0.01174 0.00554 0.00378 0.00334 101 2PX 0.00840 0.00051 -0.04057 -0.00219 0.01190 102 2PY 0.00552 -0.01942 0.00816 0.00442 0.00428 103 2PZ 0.00503 -0.00804 0.01231 -0.00463 -0.04301 104 3S 0.02828 -0.00949 0.00450 0.00377 0.00282 105 3PX 0.00561 0.00100 -0.02889 -0.00157 0.00907 106 3PY 0.00258 -0.01015 0.00478 0.00254 0.00230 107 3PZ 0.00333 -0.00538 0.00940 -0.00320 -0.03056 108 4XX -0.00048 0.00047 -0.00047 -0.00008 -0.00003 109 4YY -0.00017 -0.00119 0.00064 0.00014 0.00038 110 4ZZ -0.00054 0.00054 -0.00007 -0.00010 -0.00037 111 4XY 0.00046 -0.00022 -0.00159 -0.00014 0.00005 112 4XZ 0.00029 -0.00017 -0.00011 0.00002 -0.00022 113 4YZ 0.00030 -0.00040 0.00007 -0.00024 -0.00168 114 12 O 1S -0.00036 0.00008 -0.00004 0.00002 -0.00007 115 2S 0.00118 -0.00004 0.00015 0.00014 0.00018 116 2PX 0.00129 -0.00201 -0.00309 -0.00033 -0.00376 117 2PY -0.00244 -0.00065 -0.00113 -0.00072 -0.00102 118 2PZ 0.00103 -0.00131 -0.00332 -0.00019 -0.00260 119 3S 0.00191 -0.00024 0.00017 0.00028 0.00032 120 3PX 0.00102 -0.00161 -0.00218 -0.00023 -0.00320 121 3PY -0.00163 -0.00034 -0.00081 -0.00052 -0.00086 122 3PZ 0.00086 -0.00102 -0.00288 -0.00010 -0.00178 123 4XX -0.00005 -0.00006 -0.00006 -0.00002 -0.00004 124 4YY 0.00005 0.00007 0.00005 0.00003 0.00005 125 4ZZ -0.00006 0.00000 0.00001 0.00001 -0.00001 126 4XY -0.00003 0.00005 0.00013 0.00002 0.00009 127 4XZ 0.00006 -0.00001 -0.00003 0.00001 -0.00003 128 4YZ -0.00002 0.00004 0.00008 0.00001 0.00012 129 13 C 1S -0.00009 -0.00024 0.00034 -0.00002 0.00044 130 2S 0.00022 0.00055 -0.00021 0.00001 -0.00119 131 2PX -0.00066 -0.00129 0.00113 0.00019 0.00136 132 2PY -0.00066 -0.00016 0.00000 0.00013 0.00001 133 2PZ 0.00008 0.00060 -0.00047 -0.00009 0.00020 134 3S 0.00105 0.00113 -0.00332 -0.00059 -0.00214 135 3PX -0.00031 -0.00059 0.00077 0.00026 -0.00027 136 3PY -0.00069 -0.00013 0.00071 0.00022 0.00027 137 3PZ -0.00036 0.00062 -0.00143 -0.00083 -0.00010 138 4XX -0.00013 -0.00017 0.00018 0.00005 0.00028 139 4YY 0.00004 0.00008 -0.00005 0.00000 -0.00012 140 4ZZ -0.00001 0.00010 -0.00002 -0.00005 -0.00014 141 4XY -0.00004 -0.00010 0.00014 0.00011 0.00024 142 4XZ -0.00002 -0.00007 0.00006 0.00000 0.00012 143 4YZ -0.00006 -0.00006 0.00008 0.00005 0.00016 144 14 H 1S -0.00056 -0.00096 0.00079 0.00021 0.00127 145 2S -0.00096 -0.00171 0.00141 0.00031 0.00297 146 15 H 1S 0.00011 0.00017 -0.00015 -0.00011 -0.00071 147 2S -0.00032 0.00048 -0.00034 -0.00066 -0.00077 148 16 C 1S 0.00005 0.00007 -0.00029 -0.00054 -0.00047 149 2S -0.00024 0.00007 0.00036 0.00111 0.00084 150 2PX 0.00287 0.00374 -0.00420 -0.00264 -0.00591 151 2PY -0.00021 0.00032 0.00016 -0.00013 0.00064 152 2PZ 0.00044 0.00170 -0.00228 -0.00074 -0.00194 153 3S 0.00029 -0.00215 0.00275 0.00218 0.00034 154 3PX 0.00106 0.00301 -0.00073 -0.00173 -0.00413 155 3PY 0.00053 -0.00027 -0.00036 0.00042 0.00134 156 3PZ 0.00151 0.00070 -0.00208 -0.00074 -0.00222 157 4XX -0.00014 -0.00016 0.00022 -0.00004 0.00008 158 4YY 0.00007 0.00009 -0.00009 0.00003 -0.00009 159 4ZZ -0.00005 0.00010 -0.00006 -0.00006 0.00010 160 4XY -0.00004 0.00009 -0.00007 -0.00008 -0.00007 161 4XZ -0.00010 -0.00003 0.00008 -0.00017 0.00005 162 4YZ -0.00001 0.00002 -0.00006 -0.00001 -0.00002 163 17 H 1S 0.00047 0.00009 -0.00032 0.00043 -0.00049 164 2S 0.00150 0.00061 -0.00357 0.00000 0.00035 165 18 C 1S -0.00040 -0.00054 0.00001 -0.00042 -0.00018 166 2S 0.00015 0.00037 -0.00058 0.00053 -0.00009 167 2PX -0.00003 0.00040 -0.00048 -0.00305 -0.00152 168 2PY 0.00029 -0.00041 -0.00001 -0.00042 -0.00023 169 2PZ 0.00025 -0.00045 0.00084 -0.00090 -0.00073 170 3S -0.00191 0.00106 0.00167 0.00071 0.00187 171 3PX -0.00026 -0.00016 -0.00034 -0.00236 -0.00118 172 3PY -0.00007 -0.00023 0.00078 0.00020 0.00006 173 3PZ 0.00064 -0.00073 -0.00012 -0.00054 -0.00040 174 4XX 0.00006 0.00004 -0.00008 -0.00009 -0.00006 175 4YY 0.00005 -0.00002 -0.00006 -0.00003 -0.00008 176 4ZZ -0.00005 -0.00007 0.00006 0.00007 0.00007 177 4XY -0.00010 -0.00013 0.00015 0.00001 0.00021 178 4XZ -0.00010 -0.00018 0.00020 0.00007 0.00019 179 4YZ -0.00005 -0.00006 0.00001 -0.00001 0.00007 180 19 H 1S 0.00005 0.00011 0.00035 0.00052 0.00007 181 2S 0.00017 0.00037 0.00042 0.00022 -0.00055 182 20 C 1S -0.00007 -0.00023 0.00030 0.00014 0.00058 183 2S 0.00031 0.00081 -0.00080 -0.00033 -0.00117 184 2PX -0.00031 -0.00070 0.00160 0.00142 0.00250 185 2PY 0.00002 -0.00072 0.00075 0.00040 0.00108 186 2PZ 0.00010 -0.00059 0.00130 0.00077 0.00168 187 3S 0.00081 0.00051 0.00018 -0.00004 -0.00270 188 3PX -0.00027 -0.00046 0.00179 0.00149 0.00331 189 3PY -0.00040 0.00056 -0.00123 -0.00052 0.00080 190 3PZ 0.00023 -0.00081 0.00148 0.00111 0.00224 191 4XX -0.00009 -0.00005 0.00004 -0.00001 0.00016 192 4YY 0.00004 0.00007 -0.00004 0.00002 -0.00006 193 4ZZ -0.00006 -0.00004 0.00008 -0.00002 0.00009 194 4XY 0.00005 -0.00005 0.00003 0.00004 0.00005 195 4XZ -0.00012 -0.00015 0.00014 -0.00003 0.00029 196 4YZ 0.00001 -0.00001 -0.00001 0.00000 -0.00001 197 21 H 1S 0.00028 0.00000 0.00009 0.00024 0.00001 198 2S 0.00052 -0.00071 0.00059 0.00067 0.00008 199 22 C 1S 0.00011 0.00020 0.00002 0.00008 0.00009 200 2S 0.00022 -0.00028 -0.00025 -0.00009 -0.00045 201 2PX -0.00131 -0.00224 0.00276 -0.00053 0.00383 202 2PY -0.00029 -0.00015 0.00023 0.00008 0.00030 203 2PZ -0.00070 -0.00119 0.00045 -0.00029 0.00113 204 3S -0.00002 0.00012 -0.00112 -0.00096 -0.00040 205 3PX -0.00120 -0.00213 0.00174 -0.00039 0.00278 206 3PY -0.00041 -0.00051 0.00076 0.00030 0.00037 207 3PZ -0.00030 -0.00123 0.00105 0.00017 0.00103 208 4XX -0.00002 0.00001 0.00007 0.00003 0.00008 209 4YY 0.00002 -0.00002 -0.00006 0.00001 -0.00003 210 4ZZ 0.00000 0.00002 -0.00012 -0.00005 -0.00014 211 4XY 0.00002 -0.00004 0.00005 0.00015 0.00012 212 4XZ 0.00000 -0.00001 0.00002 -0.00002 -0.00001 213 4YZ -0.00001 0.00001 -0.00007 0.00003 0.00001 214 23 H 1S -0.00011 -0.00016 -0.00053 -0.00012 -0.00038 215 2S -0.00016 0.00054 -0.00077 -0.00020 -0.00034 31 32 33 34 35 31 3 C 1S 2.05568 32 2S -0.05950 0.31926 33 2PX 0.00296 -0.00999 0.35918 34 2PY 0.00291 -0.00011 0.00505 0.42056 35 2PZ 0.00372 -0.00841 -0.03787 0.00975 0.38844 36 3S -0.23341 0.34054 -0.01470 -0.07885 0.06719 37 3PX -0.00047 0.00475 0.21736 -0.00154 0.02302 38 3PY -0.00473 -0.00240 -0.00525 0.13044 -0.01737 39 3PZ -0.01464 0.00449 0.02887 -0.01731 0.19503 40 4XX -0.01278 -0.01075 -0.00469 -0.00542 0.00409 41 4YY -0.01643 -0.00195 0.00160 0.01322 -0.00056 42 4ZZ -0.01568 -0.00419 0.00606 -0.01175 -0.00724 43 4XY -0.00032 0.00080 -0.00273 -0.00300 0.01060 44 4XZ 0.00386 -0.00785 0.00423 0.00772 0.00204 45 4YZ -0.00249 0.00482 0.00993 -0.00267 -0.01181 46 4 C 1S 0.01654 -0.03534 -0.00990 -0.07771 -0.00848 47 2S -0.03534 0.06310 0.01879 0.15750 0.01464 48 2PX -0.00994 0.01887 0.14406 -0.01398 0.08711 49 2PY 0.07771 -0.15750 0.01423 -0.31930 0.01097 50 2PZ -0.00847 0.01461 0.08712 -0.01098 0.08460 51 3S 0.03072 -0.01027 0.05373 0.13474 0.04028 52 3PX -0.01140 0.01592 0.09003 -0.01086 0.06347 53 3PY -0.00387 -0.01432 0.01441 -0.11232 0.02763 54 3PZ 0.00404 0.00311 0.06814 -0.02131 0.05206 55 4XX 0.00244 -0.00551 -0.00272 -0.00853 -0.00203 56 4YY -0.00645 0.01086 0.00005 0.00629 0.00002 57 4ZZ 0.00258 -0.00613 -0.00015 -0.01011 -0.00084 58 4XY -0.00043 0.00093 -0.01290 0.00161 -0.00037 59 4XZ -0.00070 0.00139 -0.00126 0.00196 -0.00103 60 4YZ -0.00041 0.00058 0.00039 -0.00096 -0.01298 61 5 C 1S -0.00330 0.00758 -0.00221 0.01401 0.00381 62 2S 0.00880 -0.01833 0.01247 -0.03691 -0.00607 63 2PX 0.00739 -0.01900 0.01574 -0.03466 -0.00841 64 2PY -0.00944 0.02333 -0.00379 0.03549 0.00901 65 2PZ -0.00832 0.01803 0.00753 0.01198 0.01812 66 3S -0.00274 -0.01122 -0.00367 -0.05527 -0.04140 67 3PX -0.00030 -0.00378 0.01025 -0.00598 -0.01607 68 3PY 0.01160 -0.01306 0.00395 -0.01755 -0.00213 69 3PZ -0.00426 0.00969 -0.00609 0.00286 0.01369 70 4XX 0.00037 -0.00096 0.00583 -0.00457 0.00358 71 4YY -0.00186 0.00374 -0.00206 0.00969 -0.00003 72 4ZZ 0.00073 -0.00160 -0.00272 -0.00168 -0.00254 73 4XY 0.00042 -0.00085 -0.00193 -0.00171 -0.00197 74 4XZ -0.00047 0.00110 -0.00046 0.00175 -0.00053 75 4YZ 0.00040 -0.00045 -0.00551 0.00266 -0.00284 76 6 C 1S -0.00073 0.00097 -0.00512 0.00244 0.00084 77 2S 0.00028 -0.00164 0.01359 -0.00594 0.00011 78 2PX 0.00242 -0.00754 -0.00858 -0.00493 -0.02033 79 2PY -0.00158 0.00270 -0.00621 0.00208 0.00775 80 2PZ -0.00221 0.00499 -0.03004 0.01365 -0.01445 81 3S 0.00701 0.00151 0.02422 -0.00662 -0.00650 82 3PX 0.00548 -0.00814 -0.01207 -0.00156 -0.01268 83 3PY -0.00245 -0.00245 0.00125 0.00848 0.00437 84 3PZ -0.00490 0.00590 -0.02076 0.00883 -0.01396 85 4XX -0.00017 0.00004 0.00068 -0.00065 0.00079 86 4YY 0.00007 0.00004 0.00094 0.00075 -0.00007 87 4ZZ -0.00003 -0.00017 -0.00112 -0.00008 -0.00043 88 4XY -0.00038 0.00097 -0.00074 -0.00187 0.00148 89 4XZ -0.00017 0.00024 -0.00008 0.00059 -0.00054 90 4YZ 0.00044 -0.00104 0.00119 0.00155 -0.00154 91 7 H 1S -0.00680 0.01425 -0.02059 -0.00870 0.01857 92 2S -0.01484 0.02811 -0.05276 -0.02489 0.04343 93 8 H 1S -0.06040 0.11597 0.09479 -0.13174 -0.21154 94 2S -0.01007 0.02369 0.08519 -0.09669 -0.18159 95 9 H 1S 0.01233 -0.02671 -0.01145 -0.03917 0.01263 96 2S 0.01576 -0.02921 -0.02531 -0.06273 0.02819 97 10 H 1S 0.00074 -0.00096 -0.00062 0.00861 -0.00274 98 2S 0.00640 -0.01073 0.00122 0.00617 -0.01198 99 11 O 1S -0.00276 0.00534 -0.00290 -0.01027 0.00120 100 2S 0.00589 -0.01292 0.00991 0.02336 -0.00539 101 2PX 0.02536 -0.04070 0.01504 0.06182 -0.06338 102 2PY 0.01301 -0.02149 0.03280 0.03620 -0.01807 103 2PZ -0.02343 0.04810 -0.06476 -0.04732 0.00620 104 3S 0.00882 -0.00220 -0.00452 0.05465 0.01148 105 3PX 0.01957 -0.03351 0.00893 0.05370 -0.05602 106 3PY 0.00726 -0.00885 0.01717 0.02917 -0.00302 107 3PZ -0.01823 0.03921 -0.06155 -0.03924 0.00365 108 4XX -0.00063 -0.00021 0.00120 -0.00161 0.00020 109 4YY 0.00006 -0.00096 0.00011 -0.00124 -0.00044 110 4ZZ -0.00069 -0.00019 0.00036 -0.00131 -0.00185 111 4XY -0.00004 0.00052 -0.00154 -0.00080 0.00156 112 4XZ 0.00002 -0.00020 -0.00015 0.00119 0.00033 113 4YZ 0.00018 0.00004 0.00203 0.00037 -0.00164 114 12 O 1S 0.00116 -0.00274 0.00069 -0.00564 -0.00104 115 2S -0.00232 0.00537 -0.00193 0.01222 0.00009 116 2PX -0.00801 0.01240 -0.02514 0.04467 -0.01500 117 2PY 0.00740 -0.01879 -0.00353 -0.03073 -0.00740 118 2PZ 0.00932 -0.01407 -0.03713 -0.00954 -0.02052 119 3S -0.00878 0.01636 -0.00292 0.03907 0.01520 120 3PX -0.00578 0.01010 -0.02275 0.03664 -0.00835 121 3PY 0.00545 -0.01376 -0.00370 -0.02574 -0.01011 122 3PZ 0.00745 -0.01231 -0.02788 -0.00747 -0.01872 123 4XX 0.00019 -0.00066 0.00018 -0.00137 -0.00086 124 4YY 0.00025 -0.00010 0.00052 -0.00069 -0.00020 125 4ZZ 0.00028 -0.00080 -0.00060 -0.00120 -0.00122 126 4XY -0.00001 0.00006 0.00080 -0.00065 0.00073 127 4XZ -0.00019 0.00034 -0.00051 0.00089 -0.00037 128 4YZ -0.00008 -0.00001 0.00143 -0.00020 0.00045 129 13 C 1S -0.00286 0.00516 0.01181 0.00042 0.00302 130 2S 0.00584 -0.01202 -0.03029 -0.00336 -0.00774 131 2PX -0.00831 0.01764 0.03375 0.00334 0.01275 132 2PY -0.00041 0.00511 -0.00111 -0.00556 -0.01282 133 2PZ -0.00283 0.00504 0.00542 -0.00485 -0.01288 134 3S 0.00917 -0.02068 -0.05281 -0.00513 -0.02011 135 3PX -0.00344 0.00561 -0.00038 -0.00368 0.00298 136 3PY -0.00062 0.00343 0.00474 -0.00283 -0.00597 137 3PZ -0.00383 0.00479 0.00989 -0.01949 -0.01328 138 4XX -0.00113 0.00189 0.00817 -0.00089 0.00356 139 4YY 0.00028 -0.00066 -0.00300 -0.00003 -0.00146 140 4ZZ 0.00042 -0.00091 -0.00409 -0.00057 -0.00154 141 4XY -0.00030 0.00007 0.00465 0.00025 0.00268 142 4XZ -0.00054 0.00135 0.00309 0.00071 0.00096 143 4YZ -0.00015 0.00045 0.00248 -0.00024 0.00067 144 14 H 1S -0.00541 0.01041 0.03258 -0.00193 0.01284 145 2S -0.00775 0.01597 0.07261 -0.00176 0.03249 146 15 H 1S 0.00460 -0.00834 -0.02096 0.00121 -0.00173 147 2S 0.00058 -0.00144 -0.01125 -0.00937 -0.00844 148 16 C 1S -0.00218 0.00219 -0.00677 -0.00074 -0.00720 149 2S 0.00169 -0.01448 0.00988 0.00195 0.00959 150 2PX 0.00918 -0.01119 -0.13337 0.02342 -0.08119 151 2PY -0.00199 -0.00056 0.01643 -0.01290 0.00655 152 2PZ 0.00253 -0.00245 -0.05616 0.00925 -0.05396 153 3S 0.01602 -0.01270 -0.00209 0.01354 0.02920 154 3PX -0.00305 0.00219 -0.08488 0.01372 -0.05589 155 3PY 0.00327 0.00228 0.00054 0.01260 0.00149 156 3PZ 0.00073 0.00203 -0.05380 0.01904 -0.02397 157 4XX -0.00139 0.00239 0.00525 -0.00211 0.00522 158 4YY 0.00047 -0.00220 -0.00421 0.00137 -0.00200 159 4ZZ -0.00064 0.00033 0.00124 -0.00080 -0.00237 160 4XY -0.00006 -0.00036 -0.00157 -0.00191 -0.00129 161 4XZ -0.00124 0.00319 0.00558 -0.00251 0.00142 162 4YZ 0.00011 -0.00027 -0.00119 -0.00045 -0.00131 163 17 H 1S 0.00447 -0.00840 -0.01955 0.01376 -0.00580 164 2S 0.00623 -0.00770 -0.02868 0.02588 -0.02111 165 18 C 1S -0.00122 0.00134 0.00192 -0.00052 0.00490 166 2S 0.00147 -0.00339 -0.01046 0.00311 -0.01755 167 2PX -0.00780 0.02010 0.00172 -0.01089 0.00486 168 2PY -0.00006 0.00165 0.00022 0.00066 0.00610 169 2PZ -0.00418 0.01312 0.00999 -0.00416 0.02128 170 3S -0.00203 -0.00289 0.03608 -0.01222 0.00482 171 3PX -0.00777 0.01811 0.01456 -0.01614 0.01044 172 3PY 0.00160 -0.00163 0.00333 0.00181 0.01678 173 3PZ -0.00185 0.00856 -0.00679 0.00421 0.00835 174 4XX -0.00055 0.00065 -0.00148 0.00037 -0.00054 175 4YY -0.00015 0.00008 -0.00150 0.00047 -0.00103 176 4ZZ -0.00041 -0.00025 0.00242 -0.00081 0.00122 177 4XY -0.00054 0.00073 0.00500 -0.00089 0.00406 178 4XZ -0.00043 0.00067 0.00495 -0.00039 0.00452 179 4YZ -0.00011 0.00024 0.00176 0.00013 0.00103 180 19 H 1S 0.00052 -0.00025 0.00083 -0.00022 0.00071 181 2S 0.00034 -0.00052 -0.00012 -0.00285 0.00436 182 20 C 1S -0.00132 0.00220 0.01083 0.00193 0.00764 183 2S 0.00423 -0.00346 -0.02677 -0.00696 -0.01873 184 2PX -0.00159 0.00358 0.01971 0.02130 0.01247 185 2PY -0.00502 0.00693 0.01966 0.01451 0.01233 186 2PZ -0.00177 0.00437 0.02070 0.01065 0.01575 187 3S -0.00154 -0.00126 -0.03343 0.00499 -0.02241 188 3PX -0.00006 0.00173 0.02746 0.01897 0.01915 189 3PY 0.00158 0.00048 0.00402 -0.01356 -0.00617 190 3PZ -0.00375 0.00543 0.03186 0.02257 0.01719 191 4XX -0.00036 0.00059 0.00376 -0.00123 0.00193 192 4YY 0.00002 -0.00038 -0.00210 0.00048 -0.00116 193 4ZZ 0.00000 0.00021 0.00161 -0.00068 0.00190 194 4XY -0.00057 0.00064 0.00144 0.00182 0.00107 195 4XZ -0.00054 0.00087 0.00666 -0.00086 0.00511 196 4YZ -0.00003 -0.00002 0.00020 0.00044 0.00041 197 21 H 1S -0.00141 0.00205 -0.00386 0.01008 -0.00366 198 2S -0.00292 0.00285 0.00232 0.02354 0.00594 199 22 C 1S -0.00071 0.00013 0.00150 0.00043 0.00056 200 2S 0.00123 0.00021 -0.00522 0.00150 -0.00146 201 2PX -0.00844 0.01895 0.08497 -0.00521 0.07280 202 2PY -0.00103 0.00063 0.00745 -0.00122 0.00589 203 2PZ -0.00466 0.00692 0.03504 0.00061 0.02730 204 3S 0.00329 -0.00104 -0.01300 -0.01907 -0.01110 205 3PX -0.00535 0.01141 0.06736 -0.00859 0.06148 206 3PY -0.00050 0.00033 0.01282 0.00154 0.01823 207 3PZ -0.00546 0.00758 0.03800 0.00805 0.02945 208 4XX -0.00032 0.00046 0.00083 0.00064 0.00080 209 4YY -0.00012 0.00005 -0.00037 0.00062 -0.00058 210 4ZZ 0.00008 -0.00028 -0.00158 -0.00104 -0.00084 211 4XY 0.00023 -0.00067 0.00048 0.00119 0.00030 212 4XZ -0.00017 0.00027 0.00086 -0.00036 0.00082 213 4YZ 0.00007 -0.00058 -0.00064 0.00004 -0.00102 214 23 H 1S 0.00005 -0.00102 -0.00226 -0.00026 -0.00314 215 2S 0.00107 -0.00301 -0.01301 -0.00269 -0.01412 36 37 38 39 40 36 3S 0.55233 37 3PX -0.00105 0.14607 38 3PY 0.01285 -0.00732 0.07150 39 3PZ 0.07388 0.03722 -0.01104 0.11604 40 4XX -0.00898 -0.00229 -0.00089 0.00164 0.00093 41 4YY -0.00621 0.00092 0.00199 -0.00146 -0.00013 42 4ZZ -0.00269 0.00287 -0.00270 -0.00254 0.00020 43 4XY 0.00210 -0.00018 -0.00232 0.00485 0.00012 44 4XZ -0.00806 0.00193 0.00230 0.00126 0.00015 45 4YZ 0.00550 0.00461 -0.00064 -0.00387 -0.00037 46 4 C 1S 0.03072 -0.01140 0.00386 0.00404 0.00244 47 2S -0.01027 0.01592 0.01433 0.00311 -0.00551 48 2PX 0.05377 0.09004 -0.01429 0.06811 -0.00274 49 2PY -0.13473 0.01096 -0.11232 0.02133 0.00853 50 2PZ 0.04025 0.06350 -0.02761 0.05206 -0.00202 51 3S -0.18422 0.04221 -0.05177 0.00532 -0.00421 52 3PX 0.04216 0.05802 -0.01403 0.04912 -0.00210 53 3PY 0.05178 0.01407 -0.02164 0.02925 0.00213 54 3PZ 0.00532 0.04915 -0.02922 0.03311 -0.00146 55 4XX -0.00421 -0.00209 -0.00213 -0.00146 0.00038 56 4YY 0.01296 0.00056 0.00333 0.00011 -0.00037 57 4ZZ -0.00499 -0.00066 -0.00297 0.00009 0.00028 58 4XY 0.00016 -0.00859 0.00058 -0.00195 0.00008 59 4XZ 0.00257 -0.00140 0.00143 -0.00103 -0.00004 60 4YZ -0.00025 -0.00126 0.00085 -0.00682 -0.00014 61 5 C 1S -0.01197 0.00060 -0.00024 -0.00401 -0.00022 62 2S 0.00041 0.00816 -0.01060 0.00426 0.00062 63 2PX -0.01408 0.01175 -0.00921 -0.00199 -0.00028 64 2PY 0.07420 -0.00273 0.04308 0.00673 -0.00015 65 2PZ 0.03483 -0.00979 0.00219 0.01603 -0.00104 66 3S 0.01574 -0.01214 -0.01291 -0.01253 0.00056 67 3PX 0.00108 0.00356 0.00780 -0.00652 -0.00030 68 3PY -0.02641 0.00173 -0.00918 -0.00437 0.00034 69 3PZ 0.02458 -0.00870 -0.00261 0.00963 -0.00050 70 4XX -0.00368 0.00373 -0.00484 0.00226 -0.00001 71 4YY 0.00454 -0.00108 0.00468 -0.00093 -0.00015 72 4ZZ -0.00364 -0.00183 -0.00038 -0.00147 0.00005 73 4XY 0.00538 -0.00152 0.00473 -0.00109 0.00018 74 4XZ 0.00241 -0.00040 0.00147 -0.00043 -0.00007 75 4YZ -0.00843 -0.00429 -0.00301 -0.00287 0.00015 76 6 C 1S 0.00022 -0.00489 0.00124 0.00212 0.00009 77 2S 0.00995 0.01034 0.00062 -0.00037 -0.00038 78 2PX -0.00249 -0.01073 0.00715 -0.00082 -0.00173 79 2PY 0.01055 -0.00717 0.01008 0.00812 0.00077 80 2PZ 0.00269 -0.01584 0.00562 -0.00927 -0.00148 81 3S 0.05833 0.01861 0.02816 -0.00552 -0.00135 82 3PX -0.00942 -0.00920 0.00494 -0.00279 -0.00083 83 3PY -0.02921 -0.00115 -0.00256 0.00437 0.00068 84 3PZ 0.01404 -0.01301 0.00676 -0.00467 -0.00089 85 4XX 0.00029 0.00034 -0.00035 0.00064 -0.00003 86 4YY -0.00008 0.00068 0.00035 0.00006 0.00000 87 4ZZ -0.00083 -0.00049 -0.00012 -0.00039 0.00008 88 4XY 0.00418 -0.00124 -0.00117 0.00119 0.00004 89 4XZ 0.00028 -0.00026 0.00039 -0.00029 -0.00001 90 4YZ -0.00373 0.00131 0.00137 -0.00151 0.00015 91 7 H 1S 0.04514 -0.02150 -0.01479 0.01577 -0.00069 92 2S 0.08859 -0.04110 -0.01266 0.03016 -0.00039 93 8 H 1S 0.11212 0.03928 -0.03217 -0.08495 -0.00523 94 2S -0.00279 0.03308 -0.02220 -0.07425 -0.00223 95 9 H 1S -0.04699 -0.00651 -0.02109 0.00996 0.00135 96 2S -0.02018 -0.01354 -0.01611 0.01768 0.00221 97 10 H 1S -0.00770 0.00382 0.00592 -0.00547 0.00037 98 2S -0.04024 0.00438 -0.00158 -0.01122 0.00072 99 11 O 1S 0.00201 0.00422 -0.00138 -0.00517 -0.00033 100 2S -0.02015 -0.00453 -0.00300 0.00341 0.00089 101 2PX -0.26802 0.00923 -0.03052 -0.08666 -0.00461 102 2PY -0.11180 0.05171 -0.02308 -0.05181 0.00097 103 2PZ 0.19645 -0.05350 0.01926 -0.01447 -0.00524 104 3S 0.00362 -0.01892 0.01019 0.01951 0.00005 105 3PX -0.19406 0.00356 -0.01537 -0.06568 -0.00287 106 3PY -0.05644 0.02919 -0.00973 -0.02473 0.00027 107 3PZ 0.14708 -0.04801 0.01176 -0.01042 -0.00332 108 4XX 0.00019 0.00029 -0.00040 0.00054 -0.00007 109 4YY -0.00638 0.00270 -0.00204 -0.00304 0.00024 110 4ZZ 0.00279 -0.00060 0.00085 -0.00020 -0.00007 111 4XY -0.00856 -0.00029 -0.00340 -0.00227 -0.00029 112 4XZ -0.00066 -0.00015 0.00030 -0.00033 -0.00007 113 4YZ 0.00407 0.00071 0.00185 -0.00189 -0.00032 114 12 O 1S -0.00167 -0.00161 -0.00194 0.00184 0.00016 115 2S 0.01150 0.00228 0.00805 -0.00317 -0.00031 116 2PX 0.11207 -0.01618 0.09699 -0.00942 0.00021 117 2PY -0.07050 -0.00333 -0.03524 -0.01029 0.00032 118 2PZ -0.09389 -0.04196 -0.05297 -0.01826 0.00221 119 3S 0.01263 0.00544 0.01078 0.00324 -0.00095 120 3PX 0.07839 -0.01434 0.06900 -0.00661 0.00025 121 3PY -0.04083 -0.00410 -0.02081 -0.00901 0.00042 122 3PZ -0.07313 -0.02970 -0.03760 -0.01612 0.00175 123 4XX -0.00060 -0.00012 -0.00016 -0.00056 0.00002 124 4YY 0.00288 0.00032 0.00107 0.00043 0.00004 125 4ZZ -0.00254 -0.00080 -0.00114 -0.00081 0.00004 126 4XY -0.00476 0.00048 -0.00386 0.00031 -0.00002 127 4XZ 0.00040 -0.00051 0.00042 -0.00030 -0.00001 128 4YZ 0.00242 0.00206 0.00172 0.00034 -0.00006 129 13 C 1S 0.01056 0.00879 -0.00132 0.00496 -0.00106 130 2S -0.02313 -0.01915 0.00474 -0.01305 0.00239 131 2PX 0.03796 0.02766 -0.00700 0.02077 -0.00532 132 2PY -0.01708 -0.01350 -0.02065 -0.00321 -0.00217 133 2PZ 0.02276 -0.00401 -0.00928 -0.00387 -0.00087 134 3S -0.03456 -0.03150 0.00630 -0.02405 0.00227 135 3PX 0.01292 -0.00019 -0.00292 0.00530 -0.00193 136 3PY 0.00063 -0.00433 -0.00650 0.00196 -0.00087 137 3PZ 0.01408 0.00488 -0.01108 -0.00357 -0.00094 138 4XX 0.00396 0.00505 -0.00106 0.00355 -0.00032 139 4YY -0.00058 -0.00242 -0.00007 -0.00128 0.00015 140 4ZZ -0.00235 -0.00205 0.00042 -0.00146 0.00009 141 4XY 0.00165 0.00380 0.00129 0.00232 0.00016 142 4XZ 0.00206 0.00244 -0.00027 0.00122 -0.00021 143 4YZ -0.00093 0.00186 -0.00073 0.00062 0.00000 144 14 H 1S 0.02440 0.02304 -0.00591 0.01597 -0.00285 145 2S 0.03522 0.04944 -0.00925 0.03248 -0.00323 146 15 H 1S -0.02597 -0.00820 0.00800 -0.00705 0.00146 147 2S -0.01279 -0.00173 0.00087 -0.00645 0.00034 148 16 C 1S 0.01394 0.00429 -0.00077 -0.00187 -0.00141 149 2S 0.00293 -0.00447 0.01057 0.01156 0.00265 150 2PX -0.02582 -0.08699 0.00036 -0.06898 -0.00059 151 2PY 0.02239 0.01609 0.02026 0.00347 0.00179 152 2PZ -0.00318 -0.05257 0.00050 -0.02787 -0.00455 153 3S 0.00039 -0.01466 0.00925 0.01976 0.00317 154 3PX 0.00312 -0.05790 0.00280 -0.04285 -0.00115 155 3PY -0.00354 -0.00091 0.00836 -0.00154 0.00050 156 3PZ -0.00866 -0.04244 -0.00177 -0.02068 -0.00256 157 4XX 0.00415 0.00465 -0.00086 0.00347 -0.00017 158 4YY -0.00485 -0.00346 -0.00045 -0.00211 0.00022 159 4ZZ 0.00037 0.00100 0.00005 -0.00087 -0.00016 160 4XY 0.00043 -0.00047 -0.00023 -0.00095 0.00005 161 4XZ 0.00461 0.00412 -0.00217 0.00177 -0.00024 162 4YZ -0.00041 -0.00150 -0.00073 -0.00035 -0.00015 163 17 H 1S -0.02219 -0.01991 -0.00742 -0.00517 0.00065 164 2S -0.04323 -0.02642 -0.00699 -0.01907 -0.00036 165 18 C 1S 0.00102 0.00364 -0.00106 0.00376 0.00003 166 2S -0.00103 -0.01387 0.00560 -0.00825 -0.00080 167 2PX 0.04087 0.01006 -0.02332 0.00628 -0.00315 168 2PY -0.00487 0.00167 -0.00180 0.00163 0.00050 169 2PZ 0.00993 0.02546 -0.01586 0.00353 0.00071 170 3S 0.02345 0.02848 0.01176 0.01375 -0.00010 171 3PX 0.03344 0.01787 -0.01977 0.00844 -0.00205 172 3PY 0.00415 0.00649 0.00427 0.00897 0.00083 173 3PZ 0.00326 -0.00106 -0.01072 -0.00019 -0.00028 174 4XX 0.00004 -0.00063 -0.00033 -0.00076 -0.00006 175 4YY -0.00174 -0.00073 -0.00061 -0.00117 0.00003 176 4ZZ 0.00098 0.00137 0.00064 0.00108 0.00017 177 4XY 0.00163 0.00466 -0.00071 0.00283 0.00004 178 4XZ 0.00111 0.00354 -0.00023 0.00322 0.00000 179 4YZ 0.00132 0.00062 -0.00036 0.00154 -0.00010 180 19 H 1S -0.00219 0.00585 0.00076 -0.00370 0.00076 181 2S -0.00113 0.00751 0.00143 -0.00277 0.00104 182 20 C 1S 0.00299 0.00715 -0.00013 0.00883 -0.00034 183 2S -0.02526 -0.02161 -0.00872 -0.02310 0.00064 184 2PX 0.00811 0.02346 0.01131 0.01529 0.00125 185 2PY 0.04043 0.02178 0.02225 0.01289 -0.00065 186 2PZ -0.00101 0.03432 0.01034 0.00853 0.00030 187 3S -0.01583 -0.02723 -0.00053 -0.02744 0.00113 188 3PX -0.00388 0.02706 0.00570 0.01734 0.00082 189 3PY 0.00445 0.00509 -0.00401 -0.00058 -0.00052 190 3PZ 0.00931 0.03303 0.01610 0.01290 0.00056 191 4XX 0.00160 0.00212 -0.00141 0.00215 -0.00022 192 4YY 0.00088 -0.00167 0.00167 -0.00095 0.00017 193 4ZZ -0.00023 0.00207 -0.00056 0.00136 0.00000 194 4XY 0.00088 0.00091 0.00113 0.00057 -0.00002 195 4XZ 0.00251 0.00542 -0.00124 0.00391 -0.00006 196 4YZ -0.00053 -0.00029 -0.00018 0.00021 0.00005 197 21 H 1S 0.01536 -0.00112 0.01345 -0.00344 0.00023 198 2S 0.02470 0.00446 0.02549 0.00375 0.00050 199 22 C 1S 0.00626 -0.00054 0.00176 0.00212 -0.00015 200 2S -0.01339 0.00133 -0.00238 -0.00548 0.00036 201 2PX 0.03553 0.08381 -0.01663 0.05241 -0.00045 202 2PY 0.00475 0.01026 0.00149 0.00334 0.00025 203 2PZ 0.03424 0.02333 -0.00438 0.02734 -0.00024 204 3S -0.02487 -0.00945 -0.02375 -0.00873 -0.00125 205 3PX 0.02654 0.06244 -0.01400 0.04431 -0.00021 206 3PY 0.00835 0.01442 0.00543 0.01132 0.00058 207 3PZ 0.02363 0.03107 0.00323 0.02225 0.00041 208 4XX 0.00125 0.00076 0.00042 0.00082 -0.00002 209 4YY 0.00103 -0.00053 0.00095 -0.00007 -0.00002 210 4ZZ -0.00134 -0.00153 -0.00083 -0.00107 0.00006 211 4XY -0.00161 0.00028 0.00135 0.00007 0.00013 212 4XZ 0.00068 0.00017 -0.00025 0.00052 -0.00008 213 4YZ -0.00046 -0.00148 0.00033 -0.00014 0.00002 214 23 H 1S 0.00377 -0.00501 -0.00061 0.00008 0.00012 215 2S 0.00009 -0.01576 -0.00160 -0.00602 -0.00012 41 42 43 44 45 41 4YY 0.00091 42 4ZZ -0.00025 0.00090 43 4XY -0.00001 -0.00025 0.00093 44 4XZ 0.00030 -0.00016 -0.00018 0.00064 45 4YZ -0.00011 0.00030 -0.00036 -0.00020 0.00124 46 4 C 1S -0.00645 0.00258 0.00044 -0.00070 0.00041 47 2S 0.01086 -0.00613 -0.00094 0.00139 -0.00058 48 2PX 0.00006 -0.00016 0.01289 -0.00126 -0.00039 49 2PY -0.00629 0.01011 0.00162 -0.00196 -0.00097 50 2PZ 0.00002 -0.00083 0.00037 -0.00103 0.01298 51 3S 0.01296 -0.00499 -0.00017 0.00257 0.00026 52 3PX 0.00057 -0.00066 0.00859 -0.00140 0.00126 53 3PY -0.00333 0.00297 0.00059 -0.00143 0.00085 54 3PZ 0.00011 0.00010 0.00195 -0.00104 0.00682 55 4XX -0.00037 0.00028 -0.00008 -0.00004 0.00014 56 4YY 0.00003 -0.00025 0.00002 -0.00015 0.00009 57 4ZZ -0.00025 0.00038 0.00025 -0.00004 -0.00025 58 4XY -0.00002 -0.00025 0.00030 -0.00017 -0.00053 59 4XZ -0.00015 -0.00004 0.00017 -0.00002 0.00014 60 4YZ -0.00009 0.00025 -0.00053 -0.00014 0.00089 61 5 C 1S -0.00058 -0.00048 0.00146 -0.00009 -0.00140 62 2S 0.00103 0.00127 -0.00307 0.00021 0.00291 63 2PX 0.00161 0.00123 -0.00261 -0.00062 0.00607 64 2PY -0.00159 -0.00016 0.00419 0.00002 -0.00272 65 2PZ -0.00154 -0.00076 0.00582 -0.00081 -0.00217 66 3S -0.00025 0.00168 -0.00285 -0.00023 0.00373 67 3PX 0.00004 0.00063 0.00023 -0.00051 0.00150 68 3PY -0.00033 0.00095 0.00143 -0.00008 -0.00094 69 3PZ -0.00010 -0.00055 0.00105 -0.00024 0.00031 70 4XX 0.00004 0.00004 0.00031 -0.00008 0.00024 71 4YY 0.00012 -0.00029 -0.00001 0.00012 -0.00013 72 4ZZ -0.00003 0.00011 -0.00007 0.00000 -0.00036 73 4XY -0.00022 -0.00001 0.00013 0.00002 -0.00049 74 4XZ -0.00013 -0.00001 0.00008 -0.00001 0.00011 75 4YZ 0.00023 -0.00009 -0.00063 0.00012 0.00006 76 6 C 1S 0.00003 -0.00012 -0.00046 -0.00018 0.00034 77 2S -0.00002 -0.00005 0.00115 0.00027 -0.00088 78 2PX -0.00076 0.00163 0.00110 -0.00095 -0.00073 79 2PY -0.00106 0.00037 0.00118 -0.00104 -0.00165 80 2PZ 0.00026 0.00121 -0.00109 -0.00023 0.00147 81 3S -0.00021 0.00025 0.00289 0.00043 -0.00281 82 3PX -0.00043 0.00093 0.00082 -0.00037 -0.00092 83 3PY -0.00044 0.00008 0.00150 -0.00055 -0.00141 84 3PZ -0.00006 0.00063 -0.00078 -0.00024 0.00131 85 4XX 0.00002 0.00003 0.00002 -0.00003 0.00014 86 4YY -0.00004 0.00003 0.00005 -0.00002 -0.00001 87 4ZZ 0.00002 -0.00001 -0.00015 0.00001 -0.00001 88 4XY 0.00004 -0.00018 0.00015 0.00009 -0.00006 89 4XZ -0.00001 -0.00001 0.00009 0.00003 -0.00008 90 4YZ -0.00003 0.00003 -0.00011 -0.00008 0.00015 91 7 H 1S 0.00080 -0.00163 0.00111 0.00099 -0.00107 92 2S -0.00050 -0.00224 0.00171 0.00033 -0.00211 93 8 H 1S -0.00404 0.00768 -0.00529 -0.00574 0.01189 94 2S -0.00323 0.00734 -0.00537 -0.00341 0.01004 95 9 H 1S 0.00187 0.00066 0.00344 0.00020 -0.00831 96 2S -0.00093 0.00114 0.00371 -0.00016 -0.00793 97 10 H 1S -0.00005 0.00042 -0.00073 -0.00025 0.00059 98 2S -0.00002 0.00098 -0.00224 -0.00040 0.00169 99 11 O 1S -0.00117 0.00000 -0.00035 0.00003 0.00031 100 2S 0.00258 0.00039 0.00061 0.00049 -0.00057 101 2PX 0.00725 0.00261 -0.00087 -0.00077 -0.00391 102 2PY 0.00754 -0.00258 0.00533 0.00369 -0.00288 103 2PZ -0.00216 0.00372 -0.00415 -0.00211 -0.00262 104 3S 0.00221 -0.00064 -0.00035 -0.00055 0.00016 105 3PX 0.00505 0.00163 -0.00112 -0.00046 -0.00210 106 3PY 0.00424 -0.00194 0.00300 0.00202 -0.00146 107 3PZ -0.00180 0.00206 -0.00255 -0.00172 -0.00190 108 4XX -0.00008 0.00009 -0.00010 0.00005 -0.00001 109 4YY 0.00030 -0.00012 0.00047 0.00011 -0.00023 110 4ZZ -0.00016 0.00013 -0.00020 0.00003 0.00009 111 4XY 0.00031 0.00011 0.00014 -0.00011 -0.00041 112 4XZ 0.00007 0.00003 -0.00004 0.00001 -0.00009 113 4YZ -0.00001 0.00035 -0.00034 -0.00005 -0.00006 114 12 O 1S 0.00019 0.00015 -0.00003 -0.00008 0.00001 115 2S -0.00026 -0.00015 0.00032 0.00027 0.00001 116 2PX 0.00024 -0.00196 0.00027 0.00077 -0.00343 117 2PY 0.00034 0.00000 -0.00181 -0.00024 0.00058 118 2PZ -0.00004 0.00083 -0.00367 0.00106 -0.00019 119 3S 0.00027 -0.00158 -0.00053 0.00022 0.00032 120 3PX 0.00017 -0.00171 0.00013 0.00069 -0.00299 121 3PY 0.00000 0.00037 -0.00095 -0.00009 0.00018 122 3PZ 0.00007 0.00066 -0.00324 0.00085 -0.00012 123 4XX 0.00000 0.00004 0.00005 -0.00001 0.00002 124 4YY -0.00004 0.00010 0.00006 0.00001 -0.00001 125 4ZZ -0.00001 0.00006 0.00000 0.00001 -0.00005 126 4XY -0.00003 0.00004 0.00005 -0.00002 -0.00001 127 4XZ 0.00001 -0.00003 -0.00002 0.00001 0.00001 128 4YZ 0.00004 -0.00001 -0.00002 -0.00002 0.00008 129 13 C 1S 0.00026 0.00006 0.00011 -0.00009 0.00034 130 2S -0.00089 -0.00059 -0.00039 0.00036 -0.00047 131 2PX 0.00127 0.00132 0.00018 -0.00111 0.00090 132 2PY 0.00063 0.00133 -0.00064 -0.00055 0.00053 133 2PZ 0.00023 0.00063 -0.00004 0.00075 0.00070 134 3S -0.00081 -0.00033 -0.00085 -0.00044 -0.00125 135 3PX 0.00026 0.00079 -0.00041 -0.00007 0.00007 136 3PY 0.00003 0.00059 -0.00066 0.00007 0.00037 137 3PZ 0.00001 0.00103 0.00010 -0.00078 0.00044 138 4XX 0.00003 0.00014 0.00018 0.00008 0.00021 139 4YY 0.00000 -0.00005 -0.00014 0.00003 -0.00009 140 4ZZ -0.00004 0.00000 -0.00005 -0.00014 -0.00011 141 4XY -0.00009 0.00002 -0.00028 0.00024 -0.00016 142 4XZ 0.00009 -0.00001 0.00005 -0.00007 0.00007 143 4YZ 0.00000 0.00008 -0.00020 0.00007 -0.00005 144 14 H 1S 0.00049 0.00086 0.00054 -0.00017 0.00099 145 2S 0.00067 0.00078 0.00173 0.00002 0.00182 146 15 H 1S -0.00046 -0.00053 -0.00021 -0.00063 -0.00077 147 2S -0.00027 0.00016 -0.00012 -0.00145 -0.00048 148 16 C 1S -0.00017 -0.00029 0.00080 -0.00098 0.00075 149 2S -0.00115 -0.00051 -0.00189 0.00283 -0.00157 150 2PX 0.00207 -0.00288 0.00344 -0.00522 0.00188 151 2PY -0.00193 0.00084 0.00098 0.00137 0.00051 152 2PZ 0.00100 0.00124 0.00231 -0.00248 0.00178 153 3S -0.00084 -0.00170 -0.00171 0.00430 -0.00276 154 3PX 0.00108 -0.00164 0.00278 -0.00375 0.00216 155 3PY -0.00019 -0.00039 0.00063 0.00101 0.00047 156 3PZ 0.00137 -0.00067 0.00284 -0.00202 0.00074 157 4XX -0.00004 0.00010 0.00013 -0.00005 0.00002 158 4YY 0.00008 -0.00010 -0.00012 0.00004 -0.00009 159 4ZZ 0.00002 0.00011 0.00011 -0.00018 0.00022 160 4XY -0.00006 0.00004 0.00002 -0.00010 0.00001 161 4XZ 0.00003 0.00003 0.00024 -0.00026 0.00031 162 4YZ 0.00004 0.00008 -0.00004 -0.00005 -0.00001 163 17 H 1S 0.00092 -0.00122 -0.00140 0.00023 -0.00106 164 2S 0.00160 -0.00101 -0.00069 -0.00051 -0.00024 165 18 C 1S -0.00028 -0.00079 0.00004 -0.00001 -0.00017 166 2S 0.00015 0.00083 0.00008 -0.00006 0.00045 167 2PX 0.00166 -0.00163 0.00547 -0.00564 0.00349 168 2PY 0.00034 -0.00014 -0.00064 -0.00027 -0.00022 169 2PZ 0.00111 -0.00184 0.00156 -0.00236 0.00090 170 3S -0.00093 0.00164 -0.00126 0.00030 0.00032 171 3PX 0.00093 -0.00097 0.00391 -0.00405 0.00288 172 3PY -0.00014 -0.00026 -0.00067 0.00061 -0.00123 173 3PZ 0.00101 -0.00148 0.00232 -0.00147 0.00100 174 4XX 0.00005 -0.00005 0.00007 -0.00013 0.00003 175 4YY 0.00008 -0.00004 -0.00005 -0.00007 -0.00002 176 4ZZ -0.00011 0.00003 -0.00009 0.00020 -0.00005 177 4XY 0.00000 0.00001 -0.00004 0.00001 -0.00009 178 4XZ -0.00004 0.00004 -0.00006 0.00015 -0.00007 179 4YZ 0.00002 -0.00001 -0.00002 0.00000 0.00000 180 19 H 1S 0.00000 -0.00015 -0.00009 0.00016 -0.00009 181 2S -0.00022 -0.00005 -0.00060 0.00029 -0.00075 182 20 C 1S 0.00001 -0.00017 -0.00036 0.00011 -0.00047 183 2S 0.00003 0.00044 0.00044 -0.00039 0.00046 184 2PX -0.00015 0.00020 -0.00661 0.00229 -0.00434 185 2PY -0.00001 -0.00026 -0.00139 0.00045 -0.00058 186 2PZ -0.00007 0.00055 -0.00292 0.00109 -0.00279 187 3S 0.00004 -0.00010 -0.00035 0.00031 0.00140 188 3PX 0.00014 0.00017 -0.00442 0.00206 -0.00318 189 3PY -0.00026 0.00060 -0.00013 -0.00097 0.00017 190 3PZ 0.00008 -0.00013 -0.00295 0.00182 -0.00146 191 4XX 0.00005 0.00004 0.00019 -0.00007 0.00023 192 4YY -0.00010 -0.00002 -0.00015 0.00011 -0.00007 193 4ZZ 0.00000 0.00000 0.00006 -0.00007 -0.00014 194 4XY 0.00002 -0.00004 0.00003 0.00007 0.00004 195 4XZ 0.00007 -0.00005 0.00021 -0.00006 0.00001 196 4YZ -0.00001 -0.00007 0.00008 0.00002 0.00004 197 21 H 1S -0.00010 -0.00011 -0.00121 0.00047 -0.00035 198 2S -0.00003 -0.00064 -0.00159 0.00138 -0.00124 199 22 C 1S -0.00018 -0.00030 0.00012 0.00015 0.00013 200 2S 0.00026 0.00032 -0.00063 -0.00009 -0.00075 201 2PX 0.00095 -0.00077 0.00000 -0.00128 -0.00126 202 2PY -0.00052 -0.00011 0.00016 0.00055 -0.00056 203 2PZ 0.00028 -0.00104 0.00046 -0.00032 0.00054 204 3S 0.00059 0.00069 0.00178 -0.00221 0.00037 205 3PX 0.00056 -0.00057 0.00059 -0.00077 -0.00083 206 3PY -0.00037 -0.00016 -0.00016 0.00080 -0.00114 207 3PZ 0.00017 -0.00066 -0.00075 0.00069 -0.00013 208 4XX 0.00001 -0.00003 -0.00008 0.00003 -0.00005 209 4YY 0.00000 0.00001 -0.00006 0.00002 -0.00002 210 4ZZ -0.00003 0.00000 0.00014 -0.00002 0.00007 211 4XY -0.00005 0.00006 -0.00031 0.00026 -0.00021 212 4XZ 0.00001 -0.00002 0.00022 -0.00006 0.00020 213 4YZ -0.00006 0.00005 -0.00005 0.00011 -0.00002 214 23 H 1S -0.00019 -0.00013 0.00019 0.00020 0.00013 215 2S -0.00025 0.00005 0.00042 -0.00011 0.00050 46 47 48 49 50 46 4 C 1S 2.05568 47 2S -0.05950 0.31926 48 2PX 0.00296 -0.00998 0.35918 49 2PY -0.00291 0.00011 -0.00509 0.42055 50 2PZ 0.00372 -0.00840 -0.03787 -0.00978 0.38844 51 3S -0.23341 0.34055 -0.01473 0.07884 0.06720 52 3PX -0.00048 0.00475 0.21734 0.00159 0.02300 53 3PY 0.00473 0.00240 0.00530 0.13044 0.01738 54 3PZ -0.01465 0.00450 0.02886 0.01732 0.19503 55 4XX -0.01278 -0.01075 -0.00470 0.00542 0.00410 56 4YY -0.01643 -0.00195 0.00162 -0.01322 -0.00058 57 4ZZ -0.01568 -0.00419 0.00605 0.01175 -0.00724 58 4XY 0.00033 -0.00080 0.00272 -0.00299 -0.01059 59 4XZ 0.00386 -0.00785 0.00424 -0.00771 0.00203 60 4YZ 0.00249 -0.00482 -0.00993 -0.00268 0.01181 61 5 C 1S 0.01430 -0.03003 0.04840 -0.03620 -0.04281 62 2S -0.03013 0.05493 -0.10206 0.08125 0.09185 63 2PX -0.04904 0.09862 -0.08251 0.11689 0.16420 64 2PY 0.03342 -0.05877 0.11344 -0.06396 -0.08361 65 2PZ 0.03986 -0.07954 0.16457 -0.08364 -0.06003 66 3S 0.01050 0.00989 -0.08723 0.06261 0.07431 67 3PX 0.00684 0.00251 0.01175 0.01233 0.02615 68 3PY -0.00870 -0.00752 0.03670 0.02131 -0.02419 69 3PZ -0.00530 0.00240 0.02633 -0.00808 0.01753 70 4XX -0.00256 0.00356 0.00819 0.00661 0.00598 71 4YY 0.00093 -0.00246 0.00063 -0.01291 -0.00268 72 4ZZ -0.00098 0.00037 -0.00106 0.00253 -0.01043 73 4XY 0.00529 -0.00976 0.00521 -0.00361 -0.01263 74 4XZ 0.00362 -0.00646 0.00196 -0.00638 0.00168 75 4YZ -0.00555 0.01060 -0.01504 0.00447 0.00354 76 6 C 1S -0.00575 0.01186 -0.01560 0.00630 0.01455 77 2S 0.01225 -0.02549 0.03726 -0.01338 -0.03212 78 2PX 0.01387 -0.03168 0.02564 -0.02103 -0.04014 79 2PY 0.00747 -0.01645 0.01995 -0.01615 -0.02267 80 2PZ -0.01521 0.03358 -0.04962 0.01712 0.03258 81 3S 0.02143 -0.05705 0.09147 -0.03596 -0.08714 82 3PX 0.00541 -0.01684 0.01369 -0.00916 -0.03422 83 3PY 0.01024 -0.01019 0.03679 -0.01372 -0.03488 84 3PZ -0.00519 0.01524 -0.03352 0.00349 0.02094 85 4XX -0.00092 0.00172 -0.00070 0.00172 0.00479 86 4YY 0.00029 -0.00040 0.00273 -0.00048 -0.00168 87 4ZZ -0.00065 0.00114 -0.00501 0.00082 0.00071 88 4XY 0.00047 -0.00098 0.00243 -0.00012 -0.00023 89 4XZ 0.00070 -0.00136 0.00314 -0.00141 -0.00334 90 4YZ -0.00072 0.00136 -0.00083 0.00092 0.00240 91 7 H 1S 0.00074 -0.00096 -0.00062 -0.00861 -0.00275 92 2S 0.00641 -0.01073 0.00123 -0.00616 -0.01198 93 8 H 1S 0.01233 -0.02671 -0.01147 0.03916 0.01264 94 2S 0.01576 -0.02922 -0.02535 0.06272 0.02819 95 9 H 1S -0.06040 0.11597 0.09469 0.13182 -0.21153 96 2S -0.01007 0.02369 0.08514 0.09676 -0.18158 97 10 H 1S -0.00680 0.01425 -0.02060 0.00869 0.01857 98 2S -0.01484 0.02811 -0.05278 0.02485 0.04343 99 11 O 1S 0.00116 -0.00274 0.00069 0.00565 -0.00104 100 2S -0.00232 0.00537 -0.00192 -0.01222 0.00009 101 2PX -0.00800 0.01238 -0.02513 -0.04466 -0.01502 102 2PY -0.00740 0.01880 0.00352 -0.03077 0.00738 103 2PZ 0.00933 -0.01407 -0.03713 0.00954 -0.02052 104 3S -0.00878 0.01636 -0.00290 -0.03908 0.01519 105 3PX -0.00578 0.01009 -0.02273 -0.03663 -0.00837 106 3PY -0.00545 0.01376 0.00369 -0.02577 0.01010 107 3PZ 0.00745 -0.01231 -0.02788 0.00746 -0.01871 108 4XX 0.00019 -0.00066 0.00018 0.00137 -0.00086 109 4YY 0.00025 -0.00010 0.00052 0.00069 -0.00020 110 4ZZ 0.00028 -0.00080 -0.00060 0.00120 -0.00122 111 4XY 0.00001 -0.00006 -0.00080 -0.00065 -0.00073 112 4XZ -0.00019 0.00034 -0.00051 -0.00089 -0.00037 113 4YZ 0.00008 0.00001 -0.00143 -0.00020 -0.00045 114 12 O 1S -0.00276 0.00534 -0.00291 0.01026 0.00120 115 2S 0.00589 -0.01292 0.00993 -0.02336 -0.00539 116 2PX 0.02537 -0.04072 0.01512 -0.06184 -0.06340 117 2PY -0.01299 0.02147 -0.03281 0.03613 0.01802 118 2PZ -0.02343 0.04809 -0.06479 0.04727 0.00620 119 3S 0.00882 -0.00220 -0.00448 -0.05465 0.01148 120 3PX 0.01958 -0.03352 0.00899 -0.05372 -0.05602 121 3PY -0.00724 0.00883 -0.01718 0.02912 0.00298 122 3PZ -0.01823 0.03921 -0.06158 0.03920 0.00365 123 4XX -0.00063 -0.00021 0.00120 0.00161 0.00020 124 4YY 0.00006 -0.00096 0.00011 0.00124 -0.00044 125 4ZZ -0.00069 -0.00019 0.00036 0.00131 -0.00185 126 4XY 0.00004 -0.00052 0.00154 -0.00080 -0.00156 127 4XZ 0.00002 -0.00020 -0.00015 -0.00119 0.00033 128 4YZ -0.00018 -0.00004 -0.00203 0.00037 0.00164 129 13 C 1S -0.00286 0.00516 0.01181 -0.00041 0.00302 130 2S 0.00584 -0.01202 -0.03030 0.00334 -0.00774 131 2PX -0.00831 0.01765 0.03375 -0.00332 0.01274 132 2PY 0.00040 -0.00510 0.00113 -0.00557 0.01283 133 2PZ -0.00283 0.00504 0.00541 0.00486 -0.01287 134 3S 0.00918 -0.02069 -0.05281 0.00510 -0.02011 135 3PX -0.00344 0.00562 -0.00038 0.00369 0.00297 136 3PY 0.00062 -0.00343 -0.00475 -0.00284 0.00597 137 3PZ -0.00383 0.00479 0.00988 0.01949 -0.01328 138 4XX -0.00114 0.00189 0.00817 0.00089 0.00356 139 4YY 0.00028 -0.00066 -0.00301 0.00002 -0.00146 140 4ZZ 0.00042 -0.00091 -0.00410 0.00056 -0.00154 141 4XY 0.00029 -0.00007 -0.00464 0.00025 -0.00268 142 4XZ -0.00054 0.00135 0.00309 -0.00071 0.00096 143 4YZ 0.00015 -0.00045 -0.00248 -0.00024 -0.00067 144 14 H 1S -0.00541 0.01041 0.03257 0.00195 0.01284 145 2S -0.00775 0.01597 0.07260 0.00179 0.03248 146 15 H 1S 0.00460 -0.00834 -0.02096 -0.00122 -0.00173 147 2S 0.00058 -0.00144 -0.01126 0.00937 -0.00845 148 16 C 1S -0.00132 0.00220 0.01083 -0.00193 0.00764 149 2S 0.00423 -0.00346 -0.02677 0.00694 -0.01873 150 2PX -0.00160 0.00358 0.01974 -0.02129 0.01247 151 2PY 0.00502 -0.00693 -0.01965 0.01449 -0.01232 152 2PZ -0.00177 0.00437 0.02070 -0.01063 0.01574 153 3S -0.00154 -0.00126 -0.03340 -0.00501 -0.02241 154 3PX -0.00006 0.00173 0.02747 -0.01895 0.01914 155 3PY -0.00158 -0.00048 -0.00401 -0.01356 0.00617 156 3PZ -0.00375 0.00543 0.03186 -0.02256 0.01718 157 4XX -0.00036 0.00059 0.00376 0.00123 0.00193 158 4YY 0.00003 -0.00038 -0.00210 -0.00048 -0.00116 159 4ZZ 0.00000 0.00021 0.00161 0.00068 0.00190 160 4XY 0.00057 -0.00064 -0.00144 0.00182 -0.00107 161 4XZ -0.00054 0.00087 0.00666 0.00087 0.00511 162 4YZ 0.00003 0.00002 -0.00020 0.00044 -0.00041 163 17 H 1S -0.00140 0.00205 -0.00386 -0.01008 -0.00366 164 2S -0.00292 0.00285 0.00232 -0.02354 0.00593 165 18 C 1S -0.00071 0.00013 0.00150 -0.00043 0.00056 166 2S 0.00123 0.00021 -0.00522 -0.00150 -0.00146 167 2PX -0.00844 0.01896 0.08496 0.00525 0.07279 168 2PY 0.00103 -0.00062 -0.00740 -0.00122 -0.00585 169 2PZ -0.00466 0.00692 0.03504 -0.00060 0.02730 170 3S 0.00328 -0.00104 -0.01300 0.01906 -0.01108 171 3PX -0.00535 0.01142 0.06735 0.00862 0.06149 172 3PY 0.00050 -0.00033 -0.01278 0.00154 -0.01819 173 3PZ -0.00546 0.00758 0.03800 -0.00803 0.02944 174 4XX -0.00032 0.00046 0.00083 -0.00064 0.00080 175 4YY -0.00012 0.00005 -0.00037 -0.00062 -0.00058 176 4ZZ 0.00008 -0.00028 -0.00158 0.00104 -0.00084 177 4XY -0.00023 0.00067 -0.00048 0.00119 -0.00030 178 4XZ -0.00017 0.00027 0.00086 0.00036 0.00082 179 4YZ -0.00007 0.00058 0.00064 0.00004 0.00102 180 19 H 1S 0.00005 -0.00102 -0.00226 0.00026 -0.00314 181 2S 0.00107 -0.00301 -0.01301 0.00268 -0.01412 182 20 C 1S -0.00218 0.00219 -0.00678 0.00074 -0.00720 183 2S 0.00169 -0.01447 0.00990 -0.00194 0.00960 184 2PX 0.00918 -0.01121 -0.13335 -0.02348 -0.08120 185 2PY 0.00199 0.00056 -0.01647 -0.01292 -0.00659 186 2PZ 0.00254 -0.00246 -0.05617 -0.00929 -0.05397 187 3S 0.01601 -0.01269 -0.00207 -0.01355 0.02921 188 3PX -0.00305 0.00218 -0.08486 -0.01377 -0.05589 189 3PY -0.00327 -0.00228 -0.00057 0.01260 -0.00152 190 3PZ 0.00073 0.00203 -0.05379 -0.01906 -0.02397 191 4XX -0.00139 0.00239 0.00525 0.00211 0.00522 192 4YY 0.00047 -0.00220 -0.00421 -0.00137 -0.00200 193 4ZZ -0.00064 0.00033 0.00124 0.00080 -0.00237 194 4XY 0.00006 0.00036 0.00158 -0.00191 0.00130 195 4XZ -0.00124 0.00319 0.00557 0.00251 0.00142 196 4YZ -0.00011 0.00027 0.00119 -0.00045 0.00131 197 21 H 1S 0.00447 -0.00840 -0.01954 -0.01377 -0.00581 198 2S 0.00623 -0.00770 -0.02866 -0.02589 -0.02110 199 22 C 1S -0.00122 0.00134 0.00192 0.00052 0.00490 200 2S 0.00147 -0.00339 -0.01046 -0.00311 -0.01756 201 2PX -0.00780 0.02010 0.00171 0.01089 0.00487 202 2PY 0.00006 -0.00164 -0.00023 0.00067 -0.00610 203 2PZ -0.00418 0.01312 0.00999 0.00417 0.02129 204 3S -0.00203 -0.00290 0.03606 0.01224 0.00481 205 3PX -0.00777 0.01811 0.01456 0.01615 0.01046 206 3PY -0.00161 0.00164 -0.00331 0.00182 -0.01677 207 3PZ -0.00186 0.00857 -0.00679 -0.00422 0.00836 208 4XX -0.00055 0.00065 -0.00147 -0.00037 -0.00053 209 4YY -0.00015 0.00008 -0.00150 -0.00047 -0.00104 210 4ZZ -0.00041 -0.00025 0.00242 0.00082 0.00122 211 4XY 0.00054 -0.00073 -0.00500 -0.00090 -0.00406 212 4XZ -0.00043 0.00067 0.00495 0.00039 0.00452 213 4YZ 0.00011 -0.00024 -0.00176 0.00013 -0.00103 214 23 H 1S 0.00052 -0.00025 0.00083 0.00022 0.00071 215 2S 0.00034 -0.00052 -0.00012 0.00285 0.00436 51 52 53 54 55 51 3S 0.55236 52 3PX -0.00104 0.14603 53 3PY -0.01285 0.00736 0.07151 54 3PZ 0.07389 0.03721 0.01105 0.11604 55 4XX -0.00898 -0.00230 0.00089 0.00165 0.00093 56 4YY -0.00621 0.00092 -0.00199 -0.00147 -0.00013 57 4ZZ -0.00269 0.00287 0.00270 -0.00254 0.00020 58 4XY -0.00210 0.00018 -0.00232 -0.00485 -0.00012 59 4XZ -0.00806 0.00193 -0.00230 0.00125 0.00015 60 4YZ -0.00550 -0.00461 -0.00064 0.00387 0.00037 61 5 C 1S 0.02147 0.00202 -0.01943 0.00470 -0.00240 62 2S -0.00342 -0.01796 0.03209 0.00731 0.00396 63 2PX 0.13527 -0.03631 0.06596 0.07119 -0.00421 64 2PY -0.11984 0.06382 0.01831 -0.06102 -0.00303 65 2PZ -0.11688 0.09361 -0.04986 -0.02878 -0.00344 66 3S -0.04750 -0.01690 0.01979 0.00295 0.00431 67 3PX -0.01869 0.01172 0.01056 0.00364 -0.00200 68 3PY 0.02520 0.00862 0.00082 0.00393 -0.00089 69 3PZ 0.00537 0.01651 -0.00061 0.00442 -0.00233 70 4XX 0.01389 0.00442 0.00078 0.00720 -0.00002 71 4YY -0.00702 -0.00040 -0.00247 -0.00314 -0.00022 72 4ZZ 0.00157 -0.00298 -0.00097 -0.00337 -0.00016 73 4XY -0.02524 0.00198 -0.00001 -0.00877 -0.00003 74 4XZ -0.00725 0.00090 -0.00159 0.00091 0.00012 75 4YZ 0.02372 -0.01027 -0.00040 0.00046 -0.00036 76 6 C 1S 0.02803 -0.00960 0.00596 0.00732 -0.00039 77 2S -0.06313 0.02523 -0.00648 -0.01698 0.00064 78 2PX -0.09757 0.02739 -0.02911 -0.02460 -0.00055 79 2PY -0.04061 0.00855 -0.01436 -0.00735 0.00118 80 2PZ 0.09610 -0.04227 0.02710 0.02496 -0.00423 81 3S -0.16553 0.04543 -0.00213 -0.03362 0.00109 82 3PX -0.04212 0.00800 -0.01547 -0.01275 -0.00077 83 3PY -0.00280 0.02154 -0.01961 -0.01593 -0.00052 84 3PZ 0.02886 -0.01957 0.01373 0.00809 -0.00192 85 4XX 0.00299 -0.00012 0.00079 0.00248 -0.00008 86 4YY -0.00007 0.00159 0.00049 -0.00109 -0.00012 87 4ZZ 0.00151 -0.00286 0.00000 0.00017 0.00020 88 4XY -0.00442 0.00247 -0.00037 -0.00138 0.00010 89 4XZ -0.00138 0.00134 -0.00039 -0.00145 -0.00008 90 4YZ 0.00425 -0.00153 0.00134 0.00175 -0.00010 91 7 H 1S -0.00770 0.00382 -0.00592 -0.00547 0.00037 92 2S -0.04024 0.00438 0.00158 -0.01122 0.00072 93 8 H 1S -0.04698 -0.00653 0.02109 0.00997 0.00135 94 2S -0.02018 -0.01355 0.01611 0.01769 0.00221 95 9 H 1S 0.11212 0.03926 0.03220 -0.08495 -0.00524 96 2S -0.00279 0.03307 0.02223 -0.07424 -0.00224 97 10 H 1S 0.04514 -0.02151 0.01478 0.01577 -0.00068 98 2S 0.08858 -0.04110 0.01263 0.03016 -0.00038 99 11 O 1S -0.00167 -0.00161 0.00194 0.00184 0.00016 100 2S 0.01150 0.00229 -0.00805 -0.00317 -0.00031 101 2PX 0.11198 -0.01613 -0.09696 -0.00946 0.00021 102 2PY 0.07060 0.00333 -0.03532 0.01028 -0.00031 103 2PZ -0.09394 -0.04197 0.05298 -0.01826 0.00221 104 3S 0.01264 0.00544 -0.01078 0.00324 -0.00095 105 3PX 0.07833 -0.01431 -0.06898 -0.00664 0.00025 106 3PY 0.04090 0.00409 -0.02087 0.00901 -0.00042 107 3PZ -0.07317 -0.02970 0.03761 -0.01612 0.00175 108 4XX -0.00061 -0.00012 0.00017 -0.00056 0.00002 109 4YY 0.00289 0.00032 -0.00108 0.00043 0.00004 110 4ZZ -0.00254 -0.00080 0.00114 -0.00081 0.00004 111 4XY 0.00476 -0.00048 -0.00386 -0.00031 0.00002 112 4XZ 0.00040 -0.00051 -0.00042 -0.00030 -0.00001 113 4YZ -0.00242 -0.00206 0.00172 -0.00034 0.00006 114 12 O 1S 0.00201 0.00422 0.00139 -0.00517 -0.00033 115 2S -0.02015 -0.00453 0.00300 0.00341 0.00089 116 2PX -0.26814 0.00928 0.03055 -0.08668 -0.00461 117 2PY 0.11158 -0.05168 -0.02309 0.05173 -0.00098 118 2PZ 0.19640 -0.05348 -0.01926 -0.01450 -0.00524 119 3S 0.00362 -0.01891 -0.01020 0.01951 0.00005 120 3PX -0.19414 0.00359 0.01539 -0.06569 -0.00287 121 3PY 0.05628 -0.02917 -0.00974 0.02467 -0.00028 122 3PZ 0.14704 -0.04799 -0.01177 -0.01044 -0.00332 123 4XX 0.00018 0.00029 0.00040 0.00054 -0.00007 124 4YY -0.00636 0.00270 0.00204 -0.00303 0.00024 125 4ZZ 0.00279 -0.00060 -0.00085 -0.00020 -0.00007 126 4XY 0.00856 0.00029 -0.00340 0.00228 0.00029 127 4XZ -0.00066 -0.00015 -0.00030 -0.00033 -0.00007 128 4YZ -0.00407 -0.00071 0.00185 0.00189 0.00032 129 13 C 1S 0.01056 0.00879 0.00132 0.00496 -0.00106 130 2S -0.02314 -0.01914 -0.00475 -0.01306 0.00239 131 2PX 0.03797 0.02764 0.00703 0.02078 -0.00532 132 2PY 0.01710 0.01353 -0.02065 0.00322 0.00217 133 2PZ 0.02277 -0.00402 0.00927 -0.00387 -0.00087 134 3S -0.03458 -0.03148 -0.00632 -0.02405 0.00227 135 3PX 0.01293 -0.00020 0.00292 0.00530 -0.00193 136 3PY -0.00063 0.00433 -0.00650 -0.00196 0.00087 137 3PZ 0.01409 0.00487 0.01108 -0.00357 -0.00094 138 4XX 0.00397 0.00505 0.00106 0.00355 -0.00032 139 4YY -0.00059 -0.00243 0.00007 -0.00128 0.00015 140 4ZZ -0.00235 -0.00205 -0.00042 -0.00146 0.00009 141 4XY -0.00165 -0.00379 0.00129 -0.00231 -0.00016 142 4XZ 0.00206 0.00244 0.00027 0.00122 -0.00021 143 4YZ 0.00093 -0.00186 -0.00073 -0.00062 0.00000 144 14 H 1S 0.02441 0.02303 0.00593 0.01598 -0.00286 145 2S 0.03524 0.04942 0.00928 0.03249 -0.00323 146 15 H 1S -0.02598 -0.00819 -0.00800 -0.00706 0.00146 147 2S -0.01280 -0.00173 -0.00086 -0.00645 0.00034 148 16 C 1S 0.00299 0.00714 0.00013 0.00882 -0.00034 149 2S -0.02526 -0.02161 0.00871 -0.02310 0.00064 150 2PX 0.00813 0.02348 -0.01131 0.01529 0.00124 151 2PY -0.04043 -0.02178 0.02223 -0.01287 0.00065 152 2PZ -0.00102 0.03431 -0.01031 0.00853 0.00030 153 3S -0.01584 -0.02721 0.00052 -0.02744 0.00113 154 3PX -0.00387 0.02707 -0.00568 0.01733 0.00081 155 3PY -0.00446 -0.00508 -0.00402 0.00058 0.00052 156 3PZ 0.00931 0.03303 -0.01609 0.01289 0.00055 157 4XX 0.00161 0.00212 0.00141 0.00215 -0.00022 158 4YY 0.00088 -0.00167 -0.00167 -0.00096 0.00017 159 4ZZ -0.00023 0.00207 0.00056 0.00136 0.00000 160 4XY -0.00087 -0.00091 0.00113 -0.00057 0.00002 161 4XZ 0.00251 0.00542 0.00124 0.00391 -0.00006 162 4YZ 0.00054 0.00029 -0.00018 -0.00021 -0.00005 163 17 H 1S 0.01536 -0.00112 -0.01345 -0.00344 0.00023 164 2S 0.02470 0.00447 -0.02549 0.00374 0.00050 165 18 C 1S 0.00626 -0.00054 -0.00176 0.00212 -0.00015 166 2S -0.01339 0.00133 0.00239 -0.00548 0.00036 167 2PX 0.03555 0.08380 0.01667 0.05241 -0.00045 168 2PY -0.00474 -0.01021 0.00150 -0.00332 -0.00025 169 2PZ 0.03424 0.02333 0.00439 0.02733 -0.00024 170 3S -0.02486 -0.00946 0.02375 -0.00872 -0.00125 171 3PX 0.02656 0.06243 0.01403 0.04431 -0.00021 172 3PY -0.00834 -0.01438 0.00543 -0.01129 -0.00058 173 3PZ 0.02363 0.03106 -0.00321 0.02224 0.00041 174 4XX 0.00125 0.00076 -0.00042 0.00082 -0.00002 175 4YY 0.00103 -0.00053 -0.00095 -0.00007 -0.00002 176 4ZZ -0.00134 -0.00153 0.00083 -0.00107 0.00006 177 4XY 0.00161 -0.00028 0.00135 -0.00007 -0.00013 178 4XZ 0.00068 0.00017 0.00025 0.00052 -0.00008 179 4YZ 0.00047 0.00148 0.00033 0.00014 -0.00002 180 19 H 1S 0.00377 -0.00500 0.00061 0.00007 0.00012 181 2S 0.00009 -0.01575 0.00159 -0.00602 -0.00012 182 20 C 1S 0.01394 0.00429 0.00078 -0.00188 -0.00141 183 2S 0.00293 -0.00446 -0.01058 0.01156 0.00265 184 2PX -0.02582 -0.08698 -0.00041 -0.06898 -0.00058 185 2PY -0.02240 -0.01614 0.02026 -0.00350 -0.00179 186 2PZ -0.00318 -0.05258 -0.00052 -0.02786 -0.00455 187 3S 0.00039 -0.01465 -0.00926 0.01976 0.00317 188 3PX 0.00311 -0.05789 -0.00283 -0.04285 -0.00115 189 3PY 0.00354 0.00089 0.00836 0.00152 -0.00050 190 3PZ -0.00865 -0.04244 0.00175 -0.02067 -0.00255 191 4XX 0.00415 0.00465 0.00086 0.00347 -0.00017 192 4YY -0.00485 -0.00346 0.00045 -0.00211 0.00022 193 4ZZ 0.00037 0.00100 -0.00005 -0.00087 -0.00016 194 4XY -0.00042 0.00047 -0.00023 0.00095 -0.00005 195 4XZ 0.00461 0.00411 0.00218 0.00177 -0.00024 196 4YZ 0.00041 0.00151 -0.00073 0.00035 0.00015 197 21 H 1S -0.02220 -0.01992 0.00741 -0.00517 0.00065 198 2S -0.04323 -0.02642 0.00698 -0.01906 -0.00036 199 22 C 1S 0.00102 0.00364 0.00106 0.00376 0.00003 200 2S -0.00103 -0.01387 -0.00560 -0.00825 -0.00080 201 2PX 0.04089 0.01005 0.02333 0.00629 -0.00315 202 2PY 0.00490 -0.00167 -0.00179 -0.00163 -0.00050 203 2PZ 0.00993 0.02546 0.01587 0.00353 0.00071 204 3S 0.02344 0.02848 -0.01174 0.01374 -0.00010 205 3PX 0.03345 0.01787 0.01978 0.00845 -0.00204 206 3PY -0.00412 -0.00648 0.00428 -0.00896 -0.00083 207 3PZ 0.00327 -0.00107 0.01072 -0.00018 -0.00028 208 4XX 0.00004 -0.00062 0.00033 -0.00075 -0.00006 209 4YY -0.00174 -0.00073 0.00061 -0.00117 0.00003 210 4ZZ 0.00098 0.00137 -0.00064 0.00108 0.00017 211 4XY -0.00163 -0.00466 -0.00071 -0.00283 -0.00004 212 4XZ 0.00111 0.00354 0.00023 0.00322 0.00000 213 4YZ -0.00132 -0.00061 -0.00036 -0.00154 0.00010 214 23 H 1S -0.00219 0.00585 -0.00075 -0.00370 0.00076 215 2S -0.00114 0.00752 -0.00143 -0.00278 0.00104 56 57 58 59 60 56 4YY 0.00091 57 4ZZ -0.00025 0.00090 58 4XY 0.00001 0.00025 0.00093 59 4XZ 0.00030 -0.00016 0.00018 0.00064 60 4YZ 0.00011 -0.00030 -0.00036 0.00020 0.00124 61 5 C 1S 0.00051 -0.00068 0.00402 0.00357 -0.00331 62 2S -0.00236 0.00029 -0.00796 -0.00742 0.00642 63 2PX -0.00168 -0.00028 -0.00490 -0.00344 0.00771 64 2PY 0.00969 -0.00009 0.00036 0.00750 -0.00048 65 2PZ 0.00114 0.00747 0.00748 0.00137 -0.00269 66 3S -0.00247 0.00054 -0.00503 -0.00458 0.00689 67 3PX 0.00071 0.00148 -0.00040 -0.00047 0.00270 68 3PY -0.00095 0.00166 0.00196 0.00148 -0.00189 69 3PZ 0.00046 0.00201 0.00169 -0.00021 0.00071 70 4XX -0.00047 0.00006 0.00009 0.00006 -0.00036 71 4YY 0.00071 -0.00026 0.00010 0.00037 0.00013 72 4ZZ -0.00032 0.00030 0.00045 -0.00017 -0.00048 73 4XY 0.00025 0.00047 0.00043 -0.00003 -0.00014 74 4XZ 0.00028 -0.00018 0.00003 0.00047 0.00016 75 4YZ -0.00022 -0.00019 0.00011 -0.00028 0.00034 76 6 C 1S 0.00028 -0.00093 -0.00051 0.00054 0.00067 77 2S -0.00041 0.00206 0.00091 -0.00115 -0.00153 78 2PX -0.00210 0.00550 0.00208 -0.00325 -0.00057 79 2PY -0.00089 0.00198 0.00084 -0.00160 -0.00053 80 2PZ 0.00212 -0.00171 -0.00102 0.00274 0.00244 81 3S -0.00022 0.00383 0.00279 -0.00020 -0.00410 82 3PX -0.00135 0.00316 0.00183 -0.00128 -0.00108 83 3PY 0.00028 0.00140 0.00117 -0.00011 -0.00138 84 3PZ 0.00127 -0.00069 -0.00095 0.00092 0.00212 85 4XX -0.00005 0.00003 -0.00011 -0.00006 0.00018 86 4YY 0.00017 0.00001 0.00001 0.00013 -0.00005 87 4ZZ -0.00008 -0.00016 -0.00015 -0.00012 0.00007 88 4XY -0.00002 0.00016 0.00010 -0.00011 -0.00001 89 4XZ 0.00013 0.00000 0.00014 0.00022 -0.00013 90 4YZ 0.00007 -0.00020 -0.00004 0.00014 0.00014 91 7 H 1S -0.00005 0.00042 0.00073 -0.00025 -0.00059 92 2S -0.00002 0.00098 0.00224 -0.00040 -0.00169 93 8 H 1S 0.00186 0.00066 -0.00344 0.00020 0.00831 94 2S -0.00094 0.00114 -0.00371 -0.00016 0.00793 95 9 H 1S -0.00403 0.00768 0.00529 -0.00573 -0.01190 96 2S -0.00322 0.00734 0.00537 -0.00340 -0.01004 97 10 H 1S 0.00080 -0.00163 -0.00111 0.00098 0.00107 98 2S -0.00050 -0.00224 -0.00171 0.00032 0.00211 99 11 O 1S 0.00019 0.00015 0.00003 -0.00008 -0.00001 100 2S -0.00026 -0.00015 -0.00032 0.00027 -0.00001 101 2PX 0.00024 -0.00196 -0.00027 0.00077 0.00343 102 2PY -0.00034 0.00000 -0.00181 0.00024 0.00058 103 2PZ -0.00003 0.00083 0.00368 0.00106 0.00019 104 3S 0.00027 -0.00158 0.00053 0.00022 -0.00032 105 3PX 0.00017 -0.00171 -0.00013 0.00068 0.00299 106 3PY 0.00000 -0.00037 -0.00095 0.00009 0.00018 107 3PZ 0.00008 0.00066 0.00324 0.00085 0.00012 108 4XX 0.00000 0.00004 -0.00005 -0.00001 -0.00002 109 4YY -0.00004 0.00010 -0.00006 0.00001 0.00001 110 4ZZ -0.00001 0.00006 0.00000 0.00001 0.00005 111 4XY 0.00003 -0.00004 0.00005 0.00002 -0.00001 112 4XZ 0.00001 -0.00003 0.00002 0.00001 -0.00001 113 4YZ -0.00004 0.00001 -0.00002 0.00002 0.00008 114 12 O 1S -0.00117 0.00000 0.00035 0.00003 -0.00031 115 2S 0.00258 0.00039 -0.00061 0.00049 0.00057 116 2PX 0.00726 0.00261 0.00086 -0.00077 0.00391 117 2PY -0.00753 0.00258 0.00534 -0.00369 -0.00288 118 2PZ -0.00215 0.00372 0.00415 -0.00211 0.00262 119 3S 0.00221 -0.00064 0.00035 -0.00055 -0.00016 120 3PX 0.00505 0.00163 0.00112 -0.00046 0.00210 121 3PY -0.00424 0.00194 0.00300 -0.00202 -0.00146 122 3PZ -0.00179 0.00206 0.00255 -0.00172 0.00190 123 4XX -0.00008 0.00009 0.00010 0.00005 0.00001 124 4YY 0.00030 -0.00012 -0.00047 0.00011 0.00023 125 4ZZ -0.00016 0.00013 0.00020 0.00003 -0.00009 126 4XY -0.00031 -0.00011 0.00014 0.00011 -0.00041 127 4XZ 0.00007 0.00003 0.00004 0.00001 0.00009 128 4YZ 0.00001 -0.00035 -0.00034 0.00005 -0.00006 129 13 C 1S 0.00026 0.00006 -0.00011 -0.00009 -0.00034 130 2S -0.00089 -0.00059 0.00039 0.00036 0.00047 131 2PX 0.00127 0.00132 -0.00018 -0.00111 -0.00090 132 2PY -0.00063 -0.00133 -0.00064 0.00055 0.00053 133 2PZ 0.00023 0.00063 0.00004 0.00075 -0.00070 134 3S -0.00081 -0.00033 0.00086 -0.00044 0.00125 135 3PX 0.00026 0.00079 0.00041 -0.00007 -0.00007 136 3PY -0.00003 -0.00059 -0.00066 -0.00007 0.00037 137 3PZ 0.00001 0.00103 -0.00010 -0.00078 -0.00044 138 4XX 0.00003 0.00014 -0.00018 0.00008 -0.00021 139 4YY 0.00000 -0.00005 0.00014 0.00003 0.00009 140 4ZZ -0.00004 0.00000 0.00005 -0.00014 0.00011 141 4XY 0.00009 -0.00002 -0.00028 -0.00024 -0.00016 142 4XZ 0.00009 -0.00001 -0.00005 -0.00007 -0.00007 143 4YZ 0.00000 -0.00008 -0.00020 -0.00007 -0.00005 144 14 H 1S 0.00049 0.00086 -0.00055 -0.00017 -0.00099 145 2S 0.00067 0.00078 -0.00173 0.00003 -0.00182 146 15 H 1S -0.00046 -0.00053 0.00021 -0.00063 0.00077 147 2S -0.00027 0.00016 0.00012 -0.00145 0.00047 148 16 C 1S 0.00001 -0.00017 0.00035 0.00011 0.00047 149 2S 0.00003 0.00044 -0.00044 -0.00039 -0.00046 150 2PX -0.00014 0.00020 0.00661 0.00229 0.00434 151 2PY 0.00001 0.00026 -0.00138 -0.00045 -0.00057 152 2PZ -0.00007 0.00056 0.00292 0.00109 0.00279 153 3S 0.00004 -0.00010 0.00036 0.00031 -0.00140 154 3PX 0.00015 0.00017 0.00443 0.00205 0.00318 155 3PY 0.00026 -0.00060 -0.00013 0.00097 0.00017 156 3PZ 0.00008 -0.00013 0.00295 0.00182 0.00146 157 4XX 0.00005 0.00004 -0.00019 -0.00007 -0.00023 158 4YY -0.00010 -0.00002 0.00015 0.00011 0.00007 159 4ZZ 0.00000 0.00000 -0.00006 -0.00007 0.00014 160 4XY -0.00002 0.00004 0.00003 -0.00007 0.00004 161 4XZ 0.00007 -0.00005 -0.00021 -0.00006 -0.00001 162 4YZ 0.00001 0.00007 0.00008 -0.00002 0.00004 163 17 H 1S -0.00010 -0.00011 0.00121 0.00047 0.00035 164 2S -0.00003 -0.00064 0.00159 0.00138 0.00124 165 18 C 1S -0.00018 -0.00030 -0.00011 0.00015 -0.00013 166 2S 0.00026 0.00032 0.00063 -0.00009 0.00075 167 2PX 0.00095 -0.00077 0.00000 -0.00128 0.00126 168 2PY 0.00052 0.00011 0.00016 -0.00055 -0.00056 169 2PZ 0.00027 -0.00104 -0.00046 -0.00032 -0.00054 170 3S 0.00059 0.00069 -0.00178 -0.00221 -0.00037 171 3PX 0.00056 -0.00057 -0.00059 -0.00077 0.00083 172 3PY 0.00037 0.00016 -0.00016 -0.00080 -0.00114 173 3PZ 0.00017 -0.00066 0.00075 0.00069 0.00013 174 4XX 0.00001 -0.00003 0.00008 0.00003 0.00005 175 4YY 0.00000 0.00001 0.00006 0.00002 0.00002 176 4ZZ -0.00003 0.00000 -0.00014 -0.00002 -0.00007 177 4XY 0.00005 -0.00006 -0.00031 -0.00026 -0.00021 178 4XZ 0.00001 -0.00002 -0.00022 -0.00006 -0.00020 179 4YZ 0.00006 -0.00005 -0.00005 -0.00011 -0.00002 180 19 H 1S -0.00019 -0.00013 -0.00019 0.00020 -0.00013 181 2S -0.00025 0.00005 -0.00042 -0.00011 -0.00050 182 20 C 1S -0.00017 -0.00029 -0.00080 -0.00098 -0.00075 183 2S -0.00115 -0.00051 0.00190 0.00283 0.00157 184 2PX 0.00206 -0.00288 -0.00344 -0.00522 -0.00189 185 2PY 0.00193 -0.00084 0.00098 -0.00137 0.00051 186 2PZ 0.00100 0.00124 -0.00231 -0.00248 -0.00179 187 3S -0.00084 -0.00170 0.00171 0.00430 0.00277 188 3PX 0.00108 -0.00164 -0.00278 -0.00375 -0.00217 189 3PY 0.00019 0.00039 0.00063 -0.00101 0.00047 190 3PZ 0.00136 -0.00067 -0.00285 -0.00202 -0.00074 191 4XX -0.00004 0.00010 -0.00013 -0.00005 -0.00002 192 4YY 0.00008 -0.00010 0.00012 0.00004 0.00009 193 4ZZ 0.00002 0.00011 -0.00011 -0.00018 -0.00022 194 4XY 0.00006 -0.00004 0.00002 0.00010 0.00001 195 4XZ 0.00003 0.00003 -0.00024 -0.00026 -0.00031 196 4YZ -0.00004 -0.00008 -0.00004 0.00005 -0.00001 197 21 H 1S 0.00092 -0.00122 0.00140 0.00023 0.00106 198 2S 0.00160 -0.00101 0.00069 -0.00051 0.00024 199 22 C 1S -0.00028 -0.00079 -0.00004 -0.00001 0.00017 200 2S 0.00015 0.00083 -0.00008 -0.00006 -0.00045 201 2PX 0.00166 -0.00164 -0.00547 -0.00564 -0.00350 202 2PY -0.00034 0.00014 -0.00064 0.00027 -0.00022 203 2PZ 0.00110 -0.00184 -0.00156 -0.00236 -0.00091 204 3S -0.00093 0.00164 0.00126 0.00030 -0.00032 205 3PX 0.00092 -0.00097 -0.00391 -0.00405 -0.00288 206 3PY 0.00014 0.00026 -0.00067 -0.00061 -0.00123 207 3PZ 0.00100 -0.00148 -0.00232 -0.00147 -0.00100 208 4XX 0.00005 -0.00005 -0.00007 -0.00013 -0.00003 209 4YY 0.00008 -0.00004 0.00005 -0.00007 0.00002 210 4ZZ -0.00011 0.00003 0.00009 0.00020 0.00005 211 4XY 0.00000 -0.00001 -0.00004 -0.00001 -0.00009 212 4XZ -0.00004 0.00004 0.00006 0.00015 0.00007 213 4YZ -0.00002 0.00001 -0.00002 0.00000 0.00000 214 23 H 1S 0.00000 -0.00015 0.00009 0.00016 0.00009 215 2S -0.00022 -0.00005 0.00060 0.00029 0.00075 61 62 63 64 65 61 5 C 1S 2.05393 62 2S -0.07106 0.35893 63 2PX -0.00043 0.00235 0.35086 64 2PY 0.00315 -0.00827 -0.01833 0.42508 65 2PZ 0.00113 -0.00373 -0.07307 -0.01267 0.35655 66 3S -0.14865 0.25178 0.00327 -0.04105 0.01454 67 3PX -0.00856 0.00977 0.09899 0.02233 0.04793 68 3PY 0.06260 -0.08420 0.01343 -0.00902 0.00455 69 3PZ -0.00688 0.00946 0.04581 0.01337 0.10196 70 4XX -0.01176 -0.01381 0.00149 -0.01380 -0.00165 71 4YY -0.01515 -0.00380 0.00052 0.01736 0.00107 72 4ZZ -0.01176 -0.01366 -0.00080 -0.01484 0.00237 73 4XY 0.00068 -0.00225 -0.00093 -0.00291 0.01475 74 4XZ 0.00267 -0.00583 -0.00236 0.00756 -0.00237 75 4YZ 0.00057 -0.00148 0.01464 -0.00069 -0.00227 76 6 C 1S 0.01383 -0.02710 0.03905 0.03449 -0.04764 77 2S -0.02918 0.05105 -0.07861 -0.06334 0.09862 78 2PX -0.03981 0.08438 -0.04547 -0.08536 0.16018 79 2PY -0.03693 0.08190 -0.08835 -0.07502 0.11637 80 2PZ 0.04795 -0.09907 0.15463 0.11519 -0.09805 81 3S 0.02212 -0.01059 -0.10984 -0.11834 0.11357 82 3PX 0.00571 0.00459 -0.01426 -0.05512 0.07363 83 3PY -0.01796 0.02667 -0.05645 0.02131 0.07151 84 3PZ -0.00328 -0.00867 0.07117 0.06948 -0.03650 85 4XX -0.00091 0.00120 0.00657 -0.00112 0.00086 86 4YY 0.00017 -0.00183 0.00075 0.00938 -0.00080 87 4ZZ -0.00245 0.00401 -0.00278 -0.00322 -0.00500 88 4XY -0.00338 0.00659 -0.00292 -0.00120 0.00755 89 4XZ 0.00322 -0.00649 -0.00005 0.00705 -0.00253 90 4YZ 0.00422 -0.00806 0.00758 0.00100 -0.00541 91 7 H 1S -0.00870 0.01984 -0.02049 -0.02159 0.02622 92 2S -0.01164 0.02370 -0.03372 -0.03194 0.04403 93 8 H 1S -0.00715 0.01651 0.02617 -0.01590 -0.01421 94 2S -0.00978 0.02054 0.04145 -0.02333 -0.02513 95 9 H 1S 0.01057 -0.02370 -0.03594 0.01176 0.02695 96 2S 0.01894 -0.03653 -0.06585 -0.00948 0.05525 97 10 H 1S 0.01118 -0.02464 0.03221 0.01467 -0.03620 98 2S 0.02051 -0.03682 0.06360 -0.00994 -0.06802 99 11 O 1S -0.00038 0.00090 0.00020 0.00037 0.00015 100 2S -0.00075 0.00027 -0.00125 0.00236 -0.00068 101 2PX 0.00016 -0.00113 -0.00827 -0.00274 -0.01468 102 2PY -0.00199 0.00844 0.00112 -0.00815 0.00277 103 2PZ -0.00017 -0.00163 -0.01108 -0.00277 -0.00524 104 3S 0.01076 -0.01491 0.00149 -0.01326 -0.00078 105 3PX 0.00074 -0.00216 -0.00364 -0.00218 -0.01308 106 3PY 0.00103 0.00191 0.00165 -0.00863 0.00317 107 3PZ -0.00015 -0.00170 -0.01013 -0.00196 -0.00157 108 4XX -0.00071 0.00063 -0.00047 0.00110 -0.00030 109 4YY -0.00048 0.00076 0.00017 0.00033 0.00039 110 4ZZ -0.00072 0.00062 -0.00030 0.00118 -0.00030 111 4XY 0.00001 0.00006 -0.00089 -0.00045 -0.00032 112 4XZ 0.00013 -0.00027 -0.00018 0.00012 -0.00030 113 4YZ -0.00006 0.00014 -0.00017 -0.00031 -0.00094 114 12 O 1S 0.01198 -0.01352 0.00590 -0.04791 0.00441 115 2S -0.02019 0.02283 -0.01445 0.10930 -0.01152 116 2PX -0.01450 0.02855 0.19015 0.08819 0.11278 117 2PY 0.10093 -0.21648 0.08692 -0.37713 0.06854 118 2PZ -0.00995 0.02131 0.11509 0.06623 0.18702 119 3S -0.01542 -0.03041 0.00370 0.02842 0.00358 120 3PX -0.00797 0.01427 0.10941 0.04923 0.08137 121 3PY 0.05777 -0.11230 0.04683 -0.19827 0.03870 122 3PZ -0.00549 0.01108 0.08263 0.03834 0.10514 123 4XX 0.00416 -0.00502 0.00433 -0.00411 0.00086 124 4YY -0.00877 0.01901 -0.00788 0.02077 -0.00615 125 4ZZ 0.00428 -0.00521 0.00085 -0.00477 0.00280 126 4XY 0.00202 -0.00381 -0.01672 -0.00679 -0.00289 127 4XZ -0.00018 0.00046 0.00202 0.00184 0.00266 128 4YZ 0.00135 -0.00243 -0.00293 -0.00488 -0.01710 129 13 C 1S 0.00064 -0.00136 -0.00061 0.00150 0.00306 130 2S -0.00211 0.00349 0.00038 -0.00365 -0.00892 131 2PX 0.00170 -0.00527 0.00332 0.00589 0.01031 132 2PY -0.00108 0.00466 0.00379 -0.00228 -0.00125 133 2PZ 0.00147 -0.00157 -0.00305 0.00238 0.00371 134 3S 0.00063 0.00274 0.01974 -0.01100 -0.00047 135 3PX -0.00108 -0.00029 0.00327 0.00306 -0.00235 136 3PY -0.00115 0.00412 0.01020 -0.00115 0.00150 137 3PZ 0.00135 0.00118 0.00967 -0.00389 0.01145 138 4XX 0.00049 -0.00099 -0.00025 0.00091 0.00137 139 4YY -0.00006 0.00020 -0.00003 -0.00030 -0.00052 140 4ZZ -0.00027 0.00072 0.00067 -0.00084 -0.00067 141 4XY -0.00043 0.00105 0.00026 -0.00097 -0.00162 142 4XZ 0.00005 -0.00025 -0.00004 0.00057 0.00081 143 4YZ -0.00013 0.00068 0.00046 -0.00054 -0.00088 144 14 H 1S 0.00151 -0.00432 0.00005 0.00482 0.00686 145 2S 0.00321 -0.00689 -0.00474 0.00783 0.01284 146 15 H 1S -0.00202 0.00337 0.00309 -0.00388 -0.00502 147 2S -0.00129 0.00424 0.00712 -0.00592 0.00249 148 16 C 1S 0.00044 -0.00078 0.00151 0.00140 0.00328 149 2S -0.00118 0.00248 0.00039 -0.00421 -0.00767 150 2PX 0.00337 -0.01223 0.00014 0.01195 0.02322 151 2PY -0.00147 0.00461 0.00004 -0.00597 -0.00955 152 2PZ 0.00166 -0.00576 0.00476 0.00573 0.01344 153 3S 0.00165 -0.00238 -0.01535 -0.00265 -0.00949 154 3PX 0.00215 -0.00935 0.00056 0.01215 0.01860 155 3PY 0.00072 -0.00217 -0.00966 0.00502 -0.00568 156 3PZ 0.00456 -0.01138 -0.00859 0.01036 0.01409 157 4XX 0.00027 -0.00013 0.00020 -0.00003 0.00038 158 4YY 0.00010 -0.00015 -0.00001 -0.00003 -0.00023 159 4ZZ -0.00012 0.00039 0.00113 -0.00034 0.00024 160 4XY -0.00029 0.00051 0.00038 -0.00028 -0.00035 161 4XZ -0.00007 0.00044 0.00105 -0.00009 0.00131 162 4YZ 0.00005 -0.00007 0.00009 -0.00003 0.00017 163 17 H 1S 0.00092 -0.00307 -0.00210 0.00300 0.00290 164 2S 0.00198 -0.00613 -0.00549 0.00821 0.00229 165 18 C 1S 0.00026 0.00003 -0.00032 -0.00025 0.00028 166 2S 0.00058 -0.00071 0.00017 -0.00070 -0.00099 167 2PX -0.00155 0.00533 0.02102 0.00101 0.02517 168 2PY 0.00041 0.00009 -0.00287 0.00120 -0.00179 169 2PZ -0.00026 0.00136 0.00303 0.00154 0.00756 170 3S -0.01012 0.01398 0.01175 0.00157 -0.00530 171 3PX -0.00148 0.00494 0.01656 -0.00152 0.01677 172 3PY -0.00247 0.00265 -0.00430 0.00287 -0.00214 173 3PZ 0.00419 -0.00569 -0.00101 0.00148 0.01207 174 4XX 0.00025 -0.00021 0.00027 -0.00019 0.00058 175 4YY 0.00018 -0.00022 -0.00028 0.00020 0.00004 176 4ZZ -0.00004 0.00035 0.00011 -0.00081 -0.00096 177 4XY -0.00019 0.00100 0.00076 -0.00072 -0.00061 178 4XZ -0.00004 0.00021 -0.00004 -0.00019 -0.00045 179 4YZ -0.00005 0.00024 0.00072 -0.00012 0.00007 180 19 H 1S -0.00011 0.00004 -0.00185 -0.00036 -0.00162 181 2S -0.00126 0.00225 -0.00310 -0.00171 -0.00367 182 20 C 1S -0.00136 0.00288 0.00432 -0.00208 0.00038 183 2S 0.00375 -0.00716 -0.01331 0.00151 0.00082 184 2PX -0.00681 0.02262 -0.00001 -0.01917 -0.02886 185 2PY 0.00016 -0.00132 -0.00716 -0.00125 -0.00458 186 2PZ -0.00106 0.00430 -0.00636 -0.00370 -0.00975 187 3S -0.00550 0.00077 -0.01958 0.02224 -0.02711 188 3PX -0.00453 0.01466 -0.00837 -0.01688 -0.02211 189 3PY 0.00489 -0.00248 0.00684 -0.00707 0.01080 190 3PZ -0.00601 0.01129 0.01184 -0.00023 -0.01489 191 4XX -0.00052 0.00071 0.00315 -0.00045 0.00160 192 4YY -0.00010 -0.00007 -0.00189 -0.00051 -0.00088 193 4ZZ 0.00006 -0.00030 -0.00090 0.00002 0.00055 194 4XY 0.00026 -0.00075 -0.00088 0.00052 0.00020 195 4XZ 0.00005 0.00030 0.00146 -0.00017 0.00114 196 4YZ -0.00006 -0.00002 0.00015 -0.00001 0.00016 197 21 H 1S 0.00070 -0.00179 -0.01145 -0.00065 -0.00600 198 2S -0.00093 -0.00124 -0.00499 -0.00274 -0.00139 199 22 C 1S -0.00144 0.00187 0.00260 -0.00070 0.00091 200 2S 0.00057 -0.00312 -0.00900 0.00407 -0.00565 201 2PX -0.00505 0.02017 0.01801 -0.01263 -0.00397 202 2PY 0.00048 -0.00201 -0.00263 -0.00033 -0.00265 203 2PZ -0.00281 0.00781 0.01448 -0.00577 -0.00471 204 3S 0.01618 -0.01801 -0.01134 -0.01255 0.01531 205 3PX -0.00431 0.01439 0.01531 -0.00996 0.00035 206 3PY -0.00231 0.00205 -0.00806 0.00196 -0.00251 207 3PZ -0.00812 0.01199 0.00447 0.00264 -0.01759 208 4XX -0.00102 0.00132 0.00095 -0.00036 0.00053 209 4YY -0.00047 0.00021 -0.00059 0.00000 -0.00064 210 4ZZ 0.00002 -0.00051 -0.00078 0.00030 0.00014 211 4XY 0.00009 -0.00018 -0.00118 -0.00022 -0.00154 212 4XZ -0.00001 -0.00031 0.00055 0.00038 0.00114 213 4YZ 0.00000 0.00000 0.00017 -0.00016 -0.00077 214 23 H 1S 0.00048 -0.00240 -0.00079 0.00049 -0.00468 215 2S 0.00108 -0.00237 0.01014 -0.00067 0.00536 66 67 68 69 70 66 3S 0.22048 67 3PX 0.01069 0.05211 68 3PY -0.05837 -0.00018 0.03644 69 3PZ 0.01066 0.03074 -0.00020 0.05180 70 4XX -0.00733 -0.00231 0.00509 -0.00083 0.00204 71 4YY -0.00677 0.00228 -0.00275 0.00145 -0.00101 72 4ZZ -0.00691 -0.00094 0.00474 -0.00130 0.00091 73 4XY 0.00142 0.00605 0.00025 0.00187 -0.00044 74 4XZ -0.00402 -0.00075 0.00027 -0.00118 -0.00021 75 4YZ -0.00093 0.00162 0.00093 0.00586 0.00038 76 6 C 1S 0.00155 -0.00432 0.00260 0.00269 -0.00053 77 2S 0.02101 0.00219 -0.01618 0.00355 -0.00016 78 2PX 0.07699 0.01983 -0.03061 0.02938 -0.00969 79 2PY 0.06852 -0.01331 0.02399 0.01286 0.00173 80 2PZ -0.09858 0.02024 0.04408 0.00422 -0.00058 81 3S -0.01678 0.00168 0.01182 -0.01880 0.00147 82 3PX 0.00726 0.00873 -0.00088 0.00976 -0.00397 83 3PY 0.01596 -0.00263 0.00197 0.01178 -0.00083 84 3PZ -0.01572 0.01208 0.00761 0.00692 -0.00333 85 4XX 0.00126 0.00188 0.00112 0.00161 0.00007 86 4YY -0.00233 0.00061 -0.00081 0.00070 -0.00024 87 4ZZ 0.00308 -0.00228 -0.00013 -0.00214 0.00004 88 4XY 0.00723 0.00076 -0.00247 0.00271 -0.00017 89 4XZ -0.00411 -0.00013 0.00054 -0.00049 -0.00007 90 4YZ -0.00742 0.00185 0.00285 -0.00086 0.00058 91 7 H 1S 0.04564 -0.01160 -0.00412 0.01358 -0.00006 92 2S 0.04649 -0.01255 -0.00530 0.01612 -0.00039 93 8 H 1S 0.03717 0.01238 0.00066 -0.00517 0.00091 94 2S 0.03359 0.01506 0.00190 -0.00805 0.00105 95 9 H 1S -0.03547 -0.00775 0.02341 -0.00018 0.00229 96 2S -0.03513 -0.00882 0.02089 -0.00287 0.00103 97 10 H 1S -0.04028 -0.00040 0.03063 -0.00822 0.00413 98 2S -0.04595 -0.00198 0.03040 -0.00901 0.00501 99 11 O 1S -0.00314 0.00029 0.00209 -0.00068 0.00011 100 2S 0.00508 -0.00102 0.00112 0.00025 -0.00031 101 2PX -0.00510 0.02021 0.00961 -0.02681 0.00054 102 2PY -0.00055 -0.00203 0.01969 -0.00400 -0.00034 103 2PZ 0.00702 -0.02100 0.00372 0.02331 0.00017 104 3S -0.00883 -0.00035 -0.00963 0.00138 0.00016 105 3PX -0.00385 0.01471 0.00585 -0.01909 0.00044 106 3PY -0.00401 -0.00089 0.00834 -0.00150 -0.00018 107 3PZ 0.00702 -0.01461 0.00102 0.01670 -0.00001 108 4XX 0.00061 0.00008 -0.00014 -0.00022 -0.00001 109 4YY 0.00021 -0.00007 0.00181 -0.00022 0.00000 110 4ZZ 0.00079 -0.00019 -0.00013 0.00014 -0.00008 111 4XY -0.00021 0.00051 0.00059 -0.00101 0.00004 112 4XZ -0.00042 -0.00008 0.00005 -0.00006 -0.00002 113 4YZ -0.00016 -0.00080 0.00055 0.00061 0.00003 114 12 O 1S 0.03099 0.00006 0.00118 0.00036 0.00509 115 2S -0.07942 0.00285 -0.02825 0.00024 -0.01121 116 2PX 0.04199 0.13954 -0.00953 0.04626 -0.01357 117 2PY -0.15584 0.01125 0.06284 0.01373 0.01758 118 2PZ 0.01340 0.04686 -0.00229 0.13648 0.00005 119 3S -0.13614 0.00642 -0.02985 0.00447 -0.00940 120 3PX 0.02578 0.08947 -0.00680 0.02800 -0.00911 121 3PY -0.08293 0.00711 0.03556 0.00800 0.00907 122 3PZ 0.00580 0.02801 -0.00150 0.08695 0.00044 123 4XX -0.00142 0.00144 0.00253 0.00040 0.00045 124 4YY 0.01497 -0.00209 -0.00434 -0.00201 -0.00104 125 4ZZ -0.00172 -0.00002 0.00255 0.00092 0.00048 126 4XY -0.00350 -0.00853 0.00078 -0.00346 0.00072 127 4XZ -0.00004 0.00139 -0.00043 0.00156 -0.00018 128 4YZ -0.00210 -0.00356 0.00040 -0.00842 0.00018 129 13 C 1S -0.00289 -0.00034 0.00299 0.00119 0.00060 130 2S 0.01126 0.00092 -0.00446 -0.00560 -0.00134 131 2PX -0.00944 0.00365 0.00950 0.00961 0.00191 132 2PY 0.00536 0.00409 -0.00438 -0.00894 -0.00052 133 2PZ -0.01567 -0.00577 0.01060 0.00488 0.00015 134 3S 0.01219 0.01278 -0.00666 -0.00032 -0.00271 135 3PX -0.00063 0.00056 0.00629 0.00307 0.00058 136 3PY 0.00565 0.00635 -0.00401 -0.00229 -0.00077 137 3PZ -0.00655 0.00406 0.00372 0.00710 0.00023 138 4XX -0.00138 -0.00005 0.00168 0.00048 0.00041 139 4YY -0.00017 -0.00048 -0.00011 0.00009 -0.00013 140 4ZZ 0.00138 0.00043 -0.00119 -0.00020 -0.00018 141 4XY 0.00018 -0.00024 -0.00065 -0.00011 -0.00020 142 4XZ -0.00047 0.00019 0.00012 0.00036 0.00010 143 4YZ -0.00034 -0.00002 -0.00027 -0.00038 -0.00013 144 14 H 1S -0.00680 0.00152 0.00856 0.00455 0.00171 145 2S -0.01254 -0.00032 0.00979 0.00444 0.00337 146 15 H 1S 0.01481 0.00504 -0.01013 -0.00493 -0.00105 147 2S 0.01038 0.00616 -0.00916 0.00029 -0.00065 148 16 C 1S -0.00332 0.00016 0.00103 0.00150 0.00055 149 2S 0.00738 -0.00012 -0.00454 -0.00123 -0.00108 150 2PX -0.00072 0.00367 0.00101 0.01202 0.00053 151 2PY 0.00437 -0.00481 -0.00079 -0.00116 -0.00033 152 2PZ 0.01389 0.00874 -0.00149 0.00149 0.00095 153 3S 0.00594 -0.00859 -0.00173 -0.00332 -0.00076 154 3PX 0.00115 0.00307 0.00133 0.00777 0.00048 155 3PY 0.00064 -0.00528 0.00141 -0.00334 0.00030 156 3PZ 0.00180 0.00205 0.00196 0.00037 0.00116 157 4XX -0.00114 -0.00020 0.00074 0.00030 0.00017 158 4YY -0.00033 0.00007 0.00013 -0.00032 -0.00013 159 4ZZ 0.00089 0.00056 -0.00059 0.00010 0.00008 160 4XY 0.00037 -0.00005 -0.00012 0.00020 -0.00005 161 4XZ -0.00028 0.00033 -0.00039 0.00054 0.00028 162 4YZ -0.00004 0.00022 -0.00002 0.00003 0.00001 163 17 H 1S -0.00232 0.00173 -0.00055 0.00018 -0.00052 164 2S -0.00414 0.00245 0.00148 -0.00295 -0.00005 165 18 C 1S -0.00184 -0.00148 0.00387 0.00010 0.00006 166 2S 0.00456 0.00215 -0.00563 -0.00100 0.00027 167 2PX 0.00101 0.00843 -0.01536 0.01440 0.00348 168 2PY -0.01006 -0.00148 -0.00193 -0.00094 -0.00021 169 2PZ -0.01318 -0.00251 -0.00209 0.00672 0.00128 170 3S 0.00439 0.00364 -0.01005 0.00329 -0.00112 171 3PX 0.00078 0.00590 -0.00956 0.01019 0.00312 172 3PY -0.00562 -0.00264 -0.00180 0.00049 -0.00103 173 3PZ -0.00559 -0.00008 -0.00041 0.00389 0.00193 174 4XX -0.00020 0.00010 0.00022 0.00025 0.00001 175 4YY -0.00059 0.00001 0.00012 -0.00004 -0.00001 176 4ZZ 0.00060 -0.00019 0.00001 -0.00025 -0.00002 177 4XY -0.00072 -0.00014 -0.00088 0.00022 -0.00004 178 4XZ -0.00046 -0.00018 0.00018 -0.00029 0.00004 179 4YZ 0.00063 0.00037 -0.00059 0.00002 0.00002 180 19 H 1S -0.00204 -0.00201 0.00069 0.00068 -0.00006 181 2S -0.00312 -0.00357 0.00159 0.00062 -0.00085 182 20 C 1S 0.00675 0.00416 0.00115 0.00040 -0.00087 183 2S -0.01192 -0.01172 0.00821 -0.00203 0.00106 184 2PX 0.00050 -0.00405 -0.02699 -0.00709 -0.00745 185 2PY -0.00376 -0.00956 -0.00357 0.00692 0.00002 186 2PZ -0.01263 -0.00329 0.00009 0.00333 -0.00284 187 3S -0.00613 -0.02020 0.00772 -0.00773 0.00093 188 3PX -0.00241 -0.00864 -0.01540 -0.00639 -0.00439 189 3PY -0.00129 0.00146 -0.00093 0.00806 0.00056 190 3PZ -0.00285 0.00266 -0.00688 0.00152 -0.00317 191 4XX 0.00100 0.00146 0.00043 0.00094 0.00028 192 4YY 0.00012 -0.00107 -0.00055 -0.00043 -0.00016 193 4ZZ -0.00041 0.00014 -0.00036 -0.00017 -0.00002 194 4XY -0.00064 -0.00043 0.00030 0.00005 0.00010 195 4XZ -0.00122 0.00032 -0.00041 0.00086 0.00022 196 4YZ 0.00085 0.00029 -0.00021 -0.00039 0.00002 197 21 H 1S -0.00508 -0.01119 -0.00208 0.00121 -0.00034 198 2S -0.00409 -0.00232 -0.00432 0.00095 -0.00178 199 22 C 1S 0.00558 0.00231 -0.00033 0.00157 -0.00044 200 2S -0.00772 -0.00405 0.00210 -0.00273 -0.00012 201 2PX -0.01536 0.00012 -0.02409 0.00830 -0.00075 202 2PY 0.00411 -0.00317 0.00573 -0.00007 0.00001 203 2PZ 0.01047 0.00311 -0.01436 -0.00039 0.00045 204 3S -0.00791 -0.00153 0.00783 -0.00162 0.00274 205 3PX -0.00832 0.00172 -0.01633 0.00654 0.00036 206 3PY -0.00051 -0.00383 0.00022 -0.00035 -0.00042 207 3PZ 0.00184 -0.00275 -0.00989 -0.00336 -0.00056 208 4XX 0.00069 0.00050 -0.00069 0.00041 -0.00017 209 4YY 0.00047 -0.00019 -0.00068 -0.00023 -0.00003 210 4ZZ 0.00007 -0.00039 0.00082 -0.00028 0.00017 211 4XY -0.00052 -0.00058 0.00031 -0.00068 -0.00022 212 4XZ 0.00028 0.00033 0.00062 0.00041 0.00027 213 4YZ 0.00108 0.00029 -0.00012 -0.00069 -0.00007 214 23 H 1S 0.00744 -0.00081 0.00060 -0.00382 0.00036 215 2S 0.00910 0.00500 0.00064 0.00097 0.00006 71 72 73 74 75 71 4YY 0.00224 72 4ZZ -0.00086 0.00197 73 4XY 0.00009 0.00059 0.00341 74 4XZ 0.00057 -0.00027 -0.00027 0.00061 75 4YZ 0.00005 -0.00032 -0.00139 -0.00036 0.00360 76 6 C 1S 0.00071 -0.00291 -0.00546 0.00354 0.00572 77 2S -0.00206 0.00428 0.01075 -0.00629 -0.01115 78 2PX -0.00087 0.00516 0.00357 0.00152 -0.01286 79 2PY -0.01239 0.00676 0.00571 -0.00607 -0.00487 80 2PZ 0.00138 0.00672 -0.01437 0.00171 0.00670 81 3S -0.00441 0.01154 0.02258 -0.00534 -0.02526 82 3PX -0.00101 0.00619 0.00123 0.00107 -0.00786 83 3PY -0.00173 0.00027 0.00038 -0.00157 -0.00003 84 3PZ 0.00097 0.00217 -0.00823 0.00119 0.00215 85 4XX -0.00019 0.00004 -0.00016 -0.00003 0.00032 86 4YY 0.00057 -0.00041 -0.00025 0.00021 0.00023 87 4ZZ -0.00034 0.00001 -0.00026 -0.00008 0.00006 88 4XY 0.00011 -0.00057 0.00067 -0.00007 0.00011 89 4XZ 0.00046 -0.00023 -0.00016 0.00045 0.00011 90 4YZ 0.00001 0.00014 0.00025 -0.00016 0.00054 91 7 H 1S -0.00227 0.00058 0.00075 -0.00019 -0.00039 92 2S -0.00284 0.00120 0.00266 -0.00051 -0.00177 93 8 H 1S -0.00236 0.00004 -0.00068 0.00013 -0.00003 94 2S -0.00299 0.00016 -0.00216 -0.00003 0.00115 95 9 H 1S -0.00360 0.00647 0.00324 -0.00507 0.00014 96 2S -0.00277 0.00711 0.00740 -0.00292 -0.00560 97 10 H 1S -0.00416 0.00485 -0.00139 -0.00429 0.00181 98 2S -0.00355 0.00362 -0.00601 -0.00271 0.00710 99 11 O 1S -0.00036 0.00008 0.00004 0.00002 0.00007 100 2S 0.00118 -0.00004 -0.00015 0.00014 -0.00018 101 2PX 0.00129 -0.00201 0.00309 -0.00034 0.00376 102 2PY 0.00244 0.00065 -0.00113 0.00072 -0.00101 103 2PZ 0.00104 -0.00131 0.00332 -0.00019 0.00260 104 3S 0.00191 -0.00024 -0.00017 0.00028 -0.00032 105 3PX 0.00102 -0.00161 0.00218 -0.00024 0.00320 106 3PY 0.00163 0.00034 -0.00081 0.00052 -0.00085 107 3PZ 0.00086 -0.00102 0.00287 -0.00011 0.00178 108 4XX -0.00005 -0.00006 0.00005 -0.00002 0.00004 109 4YY 0.00005 0.00007 -0.00005 0.00003 -0.00005 110 4ZZ -0.00006 0.00000 -0.00001 0.00001 0.00001 111 4XY 0.00003 -0.00005 0.00013 -0.00002 0.00009 112 4XZ 0.00006 -0.00001 0.00003 0.00001 0.00003 113 4YZ 0.00002 -0.00004 0.00008 -0.00001 0.00012 114 12 O 1S -0.01296 0.00527 0.00273 -0.00172 0.00167 115 2S 0.02385 -0.01174 -0.00557 0.00379 -0.00334 116 2PX 0.00846 0.00050 0.04055 -0.00218 -0.01191 117 2PY -0.00550 0.01942 0.00821 -0.00442 0.00426 118 2PZ 0.00502 -0.00805 -0.01232 -0.00466 0.04301 119 3S 0.02827 -0.00949 -0.00454 0.00377 -0.00282 120 3PX 0.00565 0.00099 0.02888 -0.00156 -0.00907 121 3PY -0.00257 0.01015 0.00481 -0.00254 0.00229 122 3PZ 0.00332 -0.00538 -0.00940 -0.00322 0.03055 123 4XX -0.00048 0.00047 0.00048 -0.00008 0.00003 124 4YY -0.00017 -0.00119 -0.00064 0.00014 -0.00038 125 4ZZ -0.00054 0.00054 0.00007 -0.00010 0.00037 126 4XY -0.00046 0.00022 -0.00158 0.00014 0.00005 127 4XZ 0.00029 -0.00017 0.00010 0.00002 0.00022 128 4YZ -0.00030 0.00040 0.00007 0.00025 -0.00168 129 13 C 1S -0.00009 -0.00024 -0.00034 -0.00002 -0.00044 130 2S 0.00022 0.00055 0.00021 0.00001 0.00119 131 2PX -0.00066 -0.00129 -0.00113 0.00019 -0.00136 132 2PY 0.00066 0.00016 0.00000 -0.00013 0.00001 133 2PZ 0.00008 0.00060 0.00047 -0.00009 -0.00020 134 3S 0.00106 0.00113 0.00332 -0.00059 0.00213 135 3PX -0.00031 -0.00059 -0.00077 0.00026 0.00027 136 3PY 0.00069 0.00013 0.00071 -0.00022 0.00027 137 3PZ -0.00036 0.00062 0.00143 -0.00083 0.00010 138 4XX -0.00013 -0.00017 -0.00018 0.00006 -0.00028 139 4YY 0.00004 0.00008 0.00005 0.00000 0.00012 140 4ZZ -0.00001 0.00010 0.00002 -0.00005 0.00014 141 4XY 0.00004 0.00010 0.00014 -0.00011 0.00024 142 4XZ -0.00002 -0.00007 -0.00006 0.00000 -0.00012 143 4YZ 0.00006 0.00006 0.00008 -0.00006 0.00016 144 14 H 1S -0.00056 -0.00096 -0.00079 0.00021 -0.00127 145 2S -0.00096 -0.00171 -0.00141 0.00031 -0.00296 146 15 H 1S 0.00011 0.00017 0.00015 -0.00011 0.00071 147 2S -0.00032 0.00048 0.00034 -0.00066 0.00077 148 16 C 1S -0.00007 -0.00023 -0.00030 0.00014 -0.00058 149 2S 0.00031 0.00081 0.00080 -0.00033 0.00117 150 2PX -0.00031 -0.00070 -0.00160 0.00142 -0.00250 151 2PY -0.00002 0.00072 0.00075 -0.00040 0.00108 152 2PZ 0.00009 -0.00059 -0.00130 0.00077 -0.00168 153 3S 0.00081 0.00051 -0.00018 -0.00004 0.00270 154 3PX -0.00027 -0.00045 -0.00179 0.00149 -0.00330 155 3PY 0.00040 -0.00056 -0.00123 0.00052 0.00080 156 3PZ 0.00023 -0.00081 -0.00147 0.00111 -0.00224 157 4XX -0.00009 -0.00005 -0.00004 -0.00001 -0.00016 158 4YY 0.00004 0.00007 0.00004 0.00002 0.00006 159 4ZZ -0.00006 -0.00004 -0.00008 -0.00002 -0.00009 160 4XY -0.00005 0.00005 0.00003 -0.00004 0.00005 161 4XZ -0.00012 -0.00015 -0.00014 -0.00003 -0.00029 162 4YZ -0.00001 0.00001 -0.00001 0.00000 -0.00001 163 17 H 1S 0.00028 0.00000 -0.00009 0.00024 -0.00001 164 2S 0.00052 -0.00071 -0.00059 0.00067 -0.00007 165 18 C 1S 0.00011 0.00020 -0.00002 0.00008 -0.00009 166 2S 0.00022 -0.00028 0.00025 -0.00009 0.00045 167 2PX -0.00132 -0.00224 -0.00275 -0.00052 -0.00383 168 2PY 0.00029 0.00015 0.00023 -0.00008 0.00029 169 2PZ -0.00070 -0.00119 -0.00045 -0.00029 -0.00113 170 3S -0.00002 0.00012 0.00111 -0.00096 0.00040 171 3PX -0.00120 -0.00213 -0.00173 -0.00039 -0.00278 172 3PY 0.00041 0.00051 0.00075 -0.00030 0.00036 173 3PZ -0.00030 -0.00123 -0.00105 0.00017 -0.00103 174 4XX -0.00002 0.00001 -0.00007 0.00003 -0.00009 175 4YY 0.00002 -0.00002 0.00006 0.00001 0.00003 176 4ZZ 0.00000 0.00002 0.00012 -0.00005 0.00014 177 4XY -0.00002 0.00004 0.00005 -0.00015 0.00012 178 4XZ 0.00000 -0.00001 -0.00002 -0.00002 0.00001 179 4YZ 0.00001 -0.00001 -0.00007 -0.00003 0.00001 180 19 H 1S -0.00011 -0.00016 0.00053 -0.00012 0.00038 181 2S -0.00016 0.00054 0.00076 -0.00020 0.00034 182 20 C 1S 0.00005 0.00007 0.00029 -0.00054 0.00047 183 2S -0.00024 0.00007 -0.00036 0.00111 -0.00084 184 2PX 0.00287 0.00374 0.00419 -0.00264 0.00590 185 2PY 0.00021 -0.00031 0.00016 0.00013 0.00065 186 2PZ 0.00044 0.00170 0.00228 -0.00074 0.00194 187 3S 0.00029 -0.00215 -0.00275 0.00218 -0.00034 188 3PX 0.00106 0.00301 0.00073 -0.00174 0.00413 189 3PY -0.00053 0.00028 -0.00035 -0.00042 0.00134 190 3PZ 0.00151 0.00070 0.00208 -0.00074 0.00222 191 4XX -0.00015 -0.00016 -0.00022 -0.00004 -0.00008 192 4YY 0.00007 0.00009 0.00009 0.00003 0.00009 193 4ZZ -0.00005 0.00010 0.00006 -0.00006 -0.00010 194 4XY 0.00004 -0.00009 -0.00007 0.00008 -0.00007 195 4XZ -0.00010 -0.00003 -0.00008 -0.00017 -0.00005 196 4YZ 0.00001 -0.00002 -0.00006 0.00001 -0.00002 197 21 H 1S 0.00047 0.00009 0.00031 0.00043 0.00049 198 2S 0.00151 0.00060 0.00357 0.00000 -0.00035 199 22 C 1S -0.00040 -0.00054 -0.00001 -0.00042 0.00018 200 2S 0.00015 0.00037 0.00058 0.00053 0.00009 201 2PX -0.00003 0.00040 0.00048 -0.00305 0.00152 202 2PY -0.00029 0.00041 -0.00001 0.00042 -0.00023 203 2PZ 0.00025 -0.00045 -0.00084 -0.00090 0.00073 204 3S -0.00192 0.00106 -0.00166 0.00071 -0.00187 205 3PX -0.00026 -0.00016 0.00034 -0.00236 0.00117 206 3PY 0.00007 0.00023 0.00078 -0.00020 0.00006 207 3PZ 0.00064 -0.00073 0.00012 -0.00054 0.00040 208 4XX 0.00006 0.00004 0.00008 -0.00009 0.00006 209 4YY 0.00005 -0.00002 0.00006 -0.00003 0.00008 210 4ZZ -0.00005 -0.00007 -0.00006 0.00007 -0.00007 211 4XY 0.00010 0.00013 0.00015 -0.00001 0.00021 212 4XZ -0.00010 -0.00018 -0.00020 0.00007 -0.00019 213 4YZ 0.00005 0.00006 0.00001 0.00001 0.00007 214 23 H 1S 0.00005 0.00011 -0.00035 0.00052 -0.00007 215 2S 0.00017 0.00037 -0.00042 0.00022 0.00055 76 77 78 79 80 76 6 C 1S 2.05475 77 2S -0.06604 0.33271 78 2PX 0.00082 0.00026 0.36086 79 2PY -0.00119 0.00064 -0.00459 0.44125 80 2PZ -0.00081 -0.00124 -0.05352 0.00256 0.37300 81 3S -0.19826 0.31902 0.04174 0.08120 -0.03700 82 3PX -0.00561 0.00116 0.19088 0.01355 0.02198 83 3PY -0.00084 0.00937 0.01066 0.12003 -0.00623 84 3PZ 0.00403 0.00280 0.02382 -0.01053 0.18495 85 4XX -0.01487 -0.00868 0.00092 0.00815 0.00334 86 4YY -0.01819 -0.00058 -0.00110 -0.01162 0.00176 87 4ZZ -0.01598 -0.00658 -0.00278 0.01030 -0.00188 88 4XY 0.00144 -0.00269 0.00221 -0.00079 -0.01553 89 4XZ 0.00466 -0.00944 0.00127 -0.01042 -0.00193 90 4YZ -0.00151 0.00291 -0.01563 0.00096 0.00585 91 7 H 1S 0.01309 -0.02723 0.01012 0.04204 -0.01583 92 2S 0.01513 -0.02764 0.02582 0.07081 -0.03370 93 8 H 1S 0.00033 -0.00082 0.00506 -0.00627 0.00554 94 2S 0.00450 -0.00951 0.00815 -0.00166 0.01749 95 9 H 1S -0.00677 0.01538 0.01994 0.01011 -0.01909 96 2S -0.01405 0.02920 0.05169 0.02784 -0.04030 97 10 H 1S -0.06122 0.11759 -0.15368 0.14351 0.16809 98 2S -0.01072 0.02286 -0.13457 0.10697 0.14550 99 11 O 1S 0.00124 -0.00301 -0.00159 0.00565 0.00041 100 2S -0.00252 0.00586 0.00333 -0.01128 0.00080 101 2PX 0.00596 -0.01177 -0.05744 0.01522 -0.05199 102 2PY -0.00753 0.01929 0.02071 -0.03203 0.01182 103 2PZ -0.00948 0.01689 -0.04707 -0.03728 -0.03594 104 3S -0.00880 0.01871 0.01047 -0.04452 -0.00897 105 3PX 0.00455 -0.00990 -0.04752 0.01234 -0.03792 106 3PY -0.00579 0.01473 0.01836 -0.02820 0.00612 107 3PZ -0.00690 0.01331 -0.03359 -0.03052 -0.03139 108 4XX 0.00024 -0.00076 -0.00152 0.00150 -0.00056 109 4YY 0.00020 -0.00018 0.00079 0.00100 0.00122 110 4ZZ 0.00032 -0.00090 -0.00009 0.00165 0.00094 111 4XY -0.00010 0.00020 -0.00182 -0.00024 -0.00203 112 4XZ -0.00022 0.00042 -0.00040 -0.00095 -0.00026 113 4YZ 0.00000 0.00000 -0.00198 -0.00038 -0.00128 114 12 O 1S -0.00262 0.00603 0.00089 0.01097 -0.00321 115 2S 0.00744 -0.01598 -0.00509 -0.02452 0.01173 116 2PX -0.02041 0.04345 0.01822 0.04716 -0.04700 117 2PY -0.01440 0.02502 0.02274 0.04180 -0.03472 118 2PZ 0.02563 -0.04847 -0.05100 -0.06670 0.02837 119 3S 0.00088 -0.00180 0.01483 -0.06115 -0.00701 120 3PX -0.01696 0.03697 0.01214 0.03987 -0.04784 121 3PY -0.00679 0.01175 0.00656 0.03511 -0.01892 122 3PZ 0.02024 -0.03976 -0.04763 -0.05682 0.02098 123 4XX 0.00023 -0.00050 -0.00172 0.00139 0.00107 124 4YY 0.00065 -0.00117 -0.00079 0.00144 0.00005 125 4ZZ 0.00018 -0.00046 -0.00006 0.00185 0.00154 126 4XY -0.00022 0.00015 0.00068 0.00065 -0.00242 127 4XZ 0.00004 -0.00026 0.00065 -0.00132 -0.00020 128 4YZ -0.00003 -0.00020 -0.00201 -0.00065 0.00155 129 13 C 1S -0.00028 0.00089 -0.00025 0.00009 -0.00143 130 2S 0.00086 -0.00319 0.00154 -0.00059 0.00546 131 2PX -0.00029 0.00012 -0.00901 -0.00022 -0.00799 132 2PY -0.00007 0.00035 0.00133 -0.00046 0.00057 133 2PZ -0.00084 0.00053 0.00213 0.00200 -0.00303 134 3S 0.00105 -0.00032 0.00250 0.00121 0.00198 135 3PX 0.00053 -0.00317 -0.00809 -0.00309 -0.00070 136 3PY -0.00006 0.00023 0.00196 -0.00047 0.00160 137 3PZ -0.00081 0.00310 0.00515 0.00281 -0.00593 138 4XX -0.00001 -0.00003 -0.00149 0.00002 -0.00167 139 4YY 0.00002 -0.00013 0.00075 -0.00006 0.00084 140 4ZZ 0.00007 0.00003 0.00116 -0.00009 0.00136 141 4XY 0.00002 -0.00001 -0.00039 -0.00010 -0.00012 142 4XZ -0.00011 0.00018 -0.00011 0.00006 -0.00041 143 4YZ 0.00003 -0.00005 -0.00029 -0.00011 0.00010 144 14 H 1S -0.00036 -0.00030 -0.00895 0.00028 -0.00935 145 2S -0.00119 0.00240 -0.01237 0.00177 -0.01747 146 15 H 1S 0.00058 -0.00039 0.00333 -0.00100 0.00593 147 2S 0.00016 0.00167 0.00813 0.00072 0.00505 148 16 C 1S -0.00005 0.00020 0.00083 0.00064 0.00025 149 2S 0.00040 -0.00050 0.00150 -0.00070 0.00210 150 2PX -0.00064 0.00130 0.02581 0.00253 0.01985 151 2PY 0.00033 -0.00089 -0.00341 -0.00023 -0.00265 152 2PZ -0.00011 0.00115 0.00911 -0.00018 0.00672 153 3S -0.00087 -0.00100 -0.01157 -0.00777 -0.00459 154 3PX -0.00059 0.00090 0.02937 0.00287 0.02291 155 3PY 0.00097 -0.00397 -0.01022 -0.00153 -0.00088 156 3PZ -0.00144 0.00243 0.00621 -0.00025 0.00402 157 4XX -0.00002 0.00007 -0.00041 0.00024 -0.00064 158 4YY 0.00009 -0.00025 0.00072 0.00014 0.00080 159 4ZZ -0.00001 0.00020 0.00060 -0.00009 0.00047 160 4XY 0.00003 -0.00002 0.00037 0.00011 0.00035 161 4XZ -0.00015 0.00060 0.00026 0.00004 -0.00056 162 4YZ 0.00000 0.00007 0.00013 0.00001 0.00010 163 17 H 1S 0.00006 -0.00038 0.00408 0.00046 0.00428 164 2S 0.00091 -0.00303 -0.00468 0.00238 0.00094 165 18 C 1S -0.00018 0.00049 0.00156 -0.00020 0.00080 166 2S 0.00045 -0.00070 -0.00812 -0.00038 -0.00595 167 2PX -0.00191 0.01008 0.01237 -0.00054 0.00389 168 2PY 0.00029 -0.00138 -0.00181 0.00175 -0.00045 169 2PZ -0.00070 0.00233 -0.00343 0.00091 -0.00553 170 3S -0.00052 -0.00040 0.00407 0.00411 0.00248 171 3PX -0.00110 0.00698 0.00023 -0.00168 -0.00627 172 3PY -0.00142 0.00125 0.00361 0.00053 0.00179 173 3PZ -0.00140 0.00304 -0.00622 -0.00126 -0.00715 174 4XX -0.00016 0.00027 0.00140 -0.00025 0.00083 175 4YY -0.00004 -0.00003 -0.00084 -0.00006 -0.00073 176 4ZZ 0.00002 -0.00006 -0.00140 -0.00022 -0.00130 177 4XY 0.00010 0.00025 -0.00040 0.00007 -0.00020 178 4XZ 0.00002 -0.00005 -0.00070 -0.00008 -0.00051 179 4YZ 0.00007 -0.00003 0.00017 -0.00008 0.00035 180 19 H 1S 0.00005 -0.00036 -0.00600 0.00008 -0.00539 181 2S -0.00007 -0.00003 0.00293 0.00144 0.00080 182 20 C 1S -0.00002 0.00075 0.00164 0.00059 -0.00001 183 2S 0.00021 -0.00014 0.00115 0.00040 0.00003 184 2PX -0.00035 0.00334 0.01463 0.00009 0.01273 185 2PY 0.00018 0.00000 -0.00208 -0.00064 -0.00083 186 2PZ -0.00051 0.00314 0.00162 0.00039 0.00065 187 3S 0.00064 -0.00889 -0.02337 -0.01190 0.00350 188 3PX 0.00132 0.00075 0.01833 0.00052 0.01685 189 3PY 0.00160 -0.00016 0.00702 -0.00052 0.00325 190 3PZ 0.00019 0.00052 -0.00236 -0.00339 0.00702 191 4XX 0.00017 -0.00021 0.00004 0.00005 0.00010 192 4YY 0.00008 0.00000 0.00058 0.00029 0.00007 193 4ZZ -0.00002 0.00060 0.00085 0.00022 -0.00020 194 4XY 0.00002 -0.00011 -0.00055 -0.00016 -0.00040 195 4XZ -0.00002 0.00052 -0.00005 0.00002 -0.00033 196 4YZ 0.00003 -0.00009 0.00004 -0.00003 0.00005 197 21 H 1S 0.00015 -0.00048 0.00037 0.00023 0.00080 198 2S -0.00250 0.00459 0.00038 0.00597 -0.00844 199 22 C 1S -0.00067 0.00082 0.00129 0.00017 0.00111 200 2S 0.00024 -0.00194 -0.00918 -0.00087 -0.00685 201 2PX -0.00073 0.01021 0.00237 -0.00183 0.00120 202 2PY 0.00011 0.00014 0.00074 -0.00250 -0.00009 203 2PZ 0.00114 -0.00179 -0.00499 -0.00284 -0.00085 204 3S 0.00444 -0.00120 0.01186 0.00402 -0.00273 205 3PX -0.00234 0.00799 -0.00607 -0.00166 -0.00722 206 3PY -0.00123 0.00080 -0.00306 0.00114 -0.00788 207 3PZ 0.00011 -0.00124 -0.01300 -0.00515 -0.00561 208 4XX -0.00071 0.00075 0.00154 0.00004 0.00065 209 4YY -0.00018 0.00003 -0.00101 -0.00004 -0.00086 210 4ZZ -0.00020 -0.00011 -0.00125 -0.00014 -0.00120 211 4XY 0.00008 -0.00028 -0.00037 -0.00019 0.00000 212 4XZ 0.00002 -0.00010 -0.00029 -0.00003 -0.00029 213 4YZ 0.00018 -0.00036 -0.00019 -0.00024 0.00011 214 23 H 1S 0.00075 -0.00346 -0.00537 -0.00208 -0.00256 215 2S 0.00050 -0.00162 0.00392 0.00050 0.00880 81 82 83 84 85 81 3S 0.46611 82 3PX 0.04113 0.11496 83 3PY -0.00956 0.00533 0.06208 84 3PZ -0.02635 0.03309 -0.00288 0.10580 85 4XX -0.00581 0.00111 0.00136 0.00141 0.00068 86 4YY -0.00445 -0.00129 -0.00140 0.00140 -0.00011 87 4ZZ -0.00348 -0.00134 0.00184 -0.00144 0.00043 88 4XY -0.00312 -0.00157 0.00016 -0.00725 0.00000 89 4XZ -0.00939 0.00028 -0.00238 -0.00081 -0.00005 90 4YZ 0.00299 -0.00725 -0.00047 0.00010 0.00001 91 7 H 1S -0.04856 0.00514 0.01711 -0.00821 0.00093 92 2S -0.02074 0.01249 0.01630 -0.01495 0.00156 93 8 H 1S 0.00036 -0.00046 -0.00814 0.00626 0.00034 94 2S -0.02524 0.00329 0.00102 0.01185 0.00078 95 9 H 1S 0.03773 0.01762 0.01968 -0.01551 -0.00140 96 2S 0.07897 0.03636 0.01794 -0.02489 -0.00151 97 10 H 1S 0.11315 -0.05492 0.03373 0.06144 0.00093 98 2S 0.00684 -0.04811 0.02187 0.05034 0.00255 99 11 O 1S -0.00147 0.00227 0.00255 -0.00345 0.00013 100 2S 0.01265 -0.00258 -0.00827 0.00673 -0.00011 101 2PX -0.06643 -0.04268 0.05362 -0.05684 0.00005 102 2PY 0.08436 0.02368 -0.03727 0.00627 0.00017 103 2PZ 0.12317 -0.03773 -0.09302 -0.02506 -0.00141 104 3S 0.00706 -0.00403 -0.01249 0.00443 -0.00125 105 3PX -0.05162 -0.03411 0.03875 -0.04072 0.00000 106 3PY 0.04879 0.01656 -0.02334 0.00441 -0.00016 107 3PZ 0.08590 -0.02746 -0.06546 -0.01996 -0.00119 108 4XX -0.00217 -0.00101 0.00133 -0.00073 0.00003 109 4YY 0.00421 0.00155 -0.00129 0.00056 0.00009 110 4ZZ -0.00084 -0.00001 0.00027 0.00051 0.00003 111 4XY -0.00144 -0.00149 0.00161 -0.00250 -0.00001 112 4XZ 0.00097 -0.00037 -0.00063 -0.00028 -0.00003 113 4YZ 0.00541 -0.00160 -0.00385 -0.00124 -0.00002 114 12 O 1S 0.00273 -0.00563 0.00053 0.00520 -0.00017 115 2S -0.01888 0.00598 0.00586 -0.00411 0.00037 116 2PX 0.17229 0.00430 -0.01581 -0.02896 0.00330 117 2PY 0.12486 0.05297 -0.02886 -0.06598 0.00264 118 2PZ -0.26102 -0.05731 0.03931 0.01889 0.00200 119 3S 0.00600 0.02351 -0.00967 -0.02267 -0.00011 120 3PX 0.13202 0.00271 -0.00906 -0.02913 0.00180 121 3PY 0.06926 0.02643 -0.01228 -0.03743 0.00173 122 3PZ -0.18864 -0.04556 0.02175 0.01193 0.00117 123 4XX 0.00259 -0.00020 -0.00089 -0.00038 0.00011 124 4YY -0.00742 -0.00343 0.00259 0.00357 -0.00014 125 4ZZ 0.00029 0.00068 0.00028 0.00021 0.00006 126 4XY -0.00286 0.00079 0.00168 -0.00129 -0.00029 127 4XZ -0.00128 0.00004 0.00004 0.00003 0.00003 128 4YZ 0.00843 0.00077 -0.00382 0.00000 -0.00012 129 13 C 1S 0.00160 -0.00034 0.00014 -0.00147 0.00007 130 2S -0.00342 0.00234 -0.00071 0.00436 -0.00015 131 2PX 0.00415 -0.00640 -0.00031 -0.00778 0.00052 132 2PY -0.00073 0.00292 0.00449 0.00163 0.00023 133 2PZ 0.00654 0.00407 -0.00043 -0.00313 -0.00011 134 3S -0.00076 0.00166 -0.00004 0.00022 -0.00002 135 3PX -0.00177 -0.00423 -0.00260 -0.00217 0.00028 136 3PY 0.00004 0.00226 0.00145 0.00228 0.00026 137 3PZ 0.00530 0.00234 0.00139 -0.00465 0.00007 138 4XX 0.00112 -0.00082 0.00009 -0.00137 0.00006 139 4YY -0.00044 0.00060 -0.00022 0.00062 -0.00003 140 4ZZ -0.00095 0.00047 0.00000 0.00106 -0.00001 141 4XY -0.00079 -0.00031 -0.00015 -0.00009 -0.00003 142 4XZ 0.00041 -0.00017 0.00015 -0.00028 0.00002 143 4YZ -0.00043 -0.00006 0.00005 -0.00003 0.00000 144 14 H 1S 0.00564 -0.00519 0.00019 -0.00793 0.00034 145 2S 0.01003 -0.00830 0.00213 -0.01296 0.00040 146 15 H 1S -0.00536 0.00033 0.00056 0.00525 -0.00004 147 2S -0.00462 0.00195 0.00153 0.00461 0.00003 148 16 C 1S 0.00184 0.00031 -0.00025 -0.00040 0.00015 149 2S -0.00719 0.00094 0.00096 0.00294 -0.00022 150 2PX 0.00659 0.01375 -0.00219 0.01488 -0.00010 151 2PY -0.00168 -0.00235 -0.00328 -0.00138 -0.00022 152 2PZ -0.00136 0.00385 0.00367 0.00710 0.00037 153 3S -0.00992 -0.00471 -0.00074 -0.00076 -0.00056 154 3PX 0.01118 0.01764 -0.00315 0.01770 0.00018 155 3PY -0.01058 -0.00530 0.00233 -0.00072 -0.00012 156 3PZ 0.00461 0.00334 0.00330 0.00352 0.00005 157 4XX 0.00098 -0.00022 -0.00021 -0.00070 0.00004 158 4YY 0.00011 0.00075 0.00007 0.00049 -0.00001 159 4ZZ -0.00024 0.00009 0.00003 0.00047 0.00002 160 4XY -0.00024 0.00016 -0.00013 0.00025 -0.00001 161 4XZ 0.00055 -0.00026 0.00000 -0.00025 0.00004 162 4YZ -0.00015 0.00008 0.00021 0.00006 0.00001 163 17 H 1S -0.00117 0.00337 0.00217 0.00291 -0.00003 164 2S -0.00794 -0.00216 0.00715 -0.00104 0.00002 165 18 C 1S 0.00057 0.00167 -0.00046 0.00051 -0.00004 166 2S -0.00392 -0.00675 0.00165 -0.00323 0.00005 167 2PX -0.00214 -0.00128 0.00125 0.00646 0.00040 168 2PY 0.00203 0.00011 0.00017 -0.00153 0.00012 169 2PZ 0.00528 -0.00458 -0.00277 -0.00474 -0.00005 170 3S -0.00499 -0.00074 0.00023 0.00304 0.00020 171 3PX 0.00006 -0.00690 -0.00096 -0.00191 0.00030 172 3PY 0.00200 0.00270 -0.00021 0.00093 -0.00017 173 3PZ 0.00180 -0.00522 0.00115 -0.00461 0.00001 174 4XX 0.00044 0.00088 -0.00014 0.00056 0.00000 175 4YY 0.00036 -0.00048 -0.00008 -0.00058 0.00000 176 4ZZ -0.00023 -0.00087 -0.00024 -0.00082 -0.00003 177 4XY -0.00079 -0.00049 0.00013 -0.00021 -0.00001 178 4XZ 0.00003 -0.00031 0.00002 -0.00045 0.00002 179 4YZ -0.00078 0.00006 0.00028 0.00040 0.00002 180 19 H 1S 0.00099 -0.00436 -0.00127 -0.00428 -0.00017 181 2S 0.00361 0.00163 -0.00254 -0.00051 -0.00022 182 20 C 1S -0.00127 -0.00014 0.00074 0.00039 0.00019 183 2S 0.00499 0.00278 -0.00307 -0.00075 -0.00021 184 2PX -0.01842 0.00939 0.00305 0.01126 -0.00100 185 2PY -0.00671 -0.00313 -0.00503 0.00057 -0.00036 186 2PZ 0.00008 -0.00096 -0.00206 -0.00209 -0.00037 187 3S -0.00707 -0.01196 -0.01151 0.00135 -0.00051 188 3PX -0.01879 0.01221 0.00465 0.01292 -0.00066 189 3PY -0.01220 0.00234 0.00267 0.00220 0.00005 190 3PZ -0.00544 -0.00211 -0.00349 0.00345 -0.00010 191 4XX -0.00051 -0.00012 0.00026 0.00000 0.00012 192 4YY -0.00021 0.00046 -0.00012 0.00027 -0.00007 193 4ZZ 0.00066 0.00036 0.00050 -0.00008 -0.00002 194 4XY 0.00011 -0.00036 -0.00016 -0.00032 0.00000 195 4XZ -0.00037 -0.00035 0.00044 -0.00029 0.00002 196 4YZ -0.00016 0.00008 0.00026 0.00016 0.00001 197 21 H 1S -0.00313 0.00049 -0.00400 0.00161 -0.00043 198 2S 0.01501 0.00085 -0.00447 -0.00468 -0.00032 199 22 C 1S 0.00019 0.00130 -0.00083 0.00067 -0.00044 200 2S 0.00322 -0.00502 -0.00108 -0.00538 0.00008 201 2PX -0.01650 -0.00602 0.00329 0.00142 -0.00031 202 2PY 0.00014 0.00068 -0.00213 0.00067 -0.00012 203 2PZ -0.01374 -0.00401 0.00246 0.00287 0.00021 204 3S 0.00623 0.00825 0.00463 -0.00219 0.00045 205 3PX -0.01180 -0.00947 0.00338 -0.00421 -0.00013 206 3PY 0.00130 -0.00275 0.00005 -0.00446 -0.00023 207 3PZ -0.00689 -0.00939 -0.00277 -0.00241 -0.00016 208 4XX 0.00008 0.00078 0.00017 0.00065 -0.00001 209 4YY -0.00041 -0.00077 0.00007 -0.00044 -0.00003 210 4ZZ 0.00026 -0.00072 -0.00003 -0.00082 -0.00001 211 4XY -0.00011 0.00010 -0.00011 -0.00019 -0.00005 212 4XZ 0.00027 -0.00029 -0.00009 -0.00024 0.00005 213 4YZ -0.00043 0.00012 0.00020 0.00021 0.00001 214 23 H 1S -0.00210 -0.00178 -0.00007 -0.00013 0.00017 215 2S -0.00422 0.00430 0.00222 0.00683 0.00037 86 87 88 89 90 86 4YY 0.00077 87 4ZZ -0.00020 0.00072 88 4XY 0.00002 0.00002 0.00111 89 4XZ 0.00033 -0.00015 0.00018 0.00067 90 4YZ -0.00003 -0.00002 -0.00054 -0.00020 0.00126 91 7 H 1S 0.00165 0.00106 0.00675 -0.00001 -0.00725 92 2S -0.00100 0.00187 0.00672 -0.00048 -0.00709 93 8 H 1S -0.00001 0.00006 -0.00063 -0.00015 0.00074 94 2S 0.00004 0.00027 -0.00212 -0.00046 0.00183 95 9 H 1S 0.00085 -0.00086 0.00076 0.00119 -0.00131 96 2S -0.00036 -0.00080 0.00123 0.00077 -0.00249 97 10 H 1S -0.00281 0.00172 -0.00925 -0.00829 0.01053 98 2S -0.00258 0.00276 -0.00826 -0.00527 0.00943 99 11 O 1S 0.00023 0.00018 0.00006 -0.00010 0.00004 100 2S -0.00036 -0.00028 -0.00001 0.00029 -0.00036 101 2PX -0.00046 0.00116 -0.00063 0.00016 0.00307 102 2PY -0.00084 -0.00022 0.00098 0.00060 -0.00203 103 2PZ 0.00001 -0.00073 0.00290 0.00023 -0.00134 104 3S 0.00035 -0.00146 -0.00076 0.00044 0.00045 105 3PX -0.00020 0.00093 -0.00053 0.00005 0.00290 106 3PY -0.00029 -0.00049 0.00038 0.00040 -0.00122 107 3PZ -0.00007 -0.00058 0.00262 0.00031 -0.00107 108 4XX -0.00002 0.00005 0.00006 -0.00001 -0.00002 109 4YY -0.00007 0.00007 0.00004 0.00001 -0.00005 110 4ZZ 0.00000 0.00004 0.00000 -0.00001 -0.00006 111 4XY -0.00006 0.00002 0.00004 0.00001 -0.00005 112 4XZ 0.00001 -0.00002 -0.00003 0.00001 0.00002 113 4YZ 0.00003 0.00000 -0.00004 -0.00001 0.00004 114 12 O 1S -0.00115 -0.00021 -0.00021 -0.00004 0.00044 115 2S 0.00219 0.00040 0.00022 0.00058 -0.00081 116 2PX -0.00153 -0.00339 0.00635 -0.00099 0.00575 117 2PY -0.00785 -0.00027 -0.00162 -0.00365 0.00616 118 2PZ 0.00609 -0.00474 0.00598 0.00110 0.00163 119 3S 0.00166 -0.00071 -0.00010 0.00031 0.00025 120 3PX -0.00142 -0.00204 0.00472 -0.00084 0.00376 121 3PY -0.00448 0.00020 -0.00061 -0.00218 0.00343 122 3PZ 0.00420 -0.00291 0.00369 0.00096 0.00168 123 4XX -0.00014 -0.00004 -0.00003 0.00000 0.00025 124 4YY 0.00035 0.00021 0.00016 0.00008 -0.00054 125 4ZZ -0.00011 -0.00004 -0.00007 0.00000 0.00009 126 4XY -0.00004 0.00022 -0.00023 0.00003 -0.00038 127 4XZ 0.00008 -0.00009 0.00011 0.00003 0.00000 128 4YZ -0.00026 0.00032 -0.00049 0.00001 0.00010 129 13 C 1S 0.00011 -0.00010 0.00001 -0.00001 -0.00002 130 2S -0.00028 0.00022 -0.00011 -0.00002 -0.00009 131 2PX 0.00009 -0.00069 0.00031 0.00026 0.00019 132 2PY -0.00015 0.00007 0.00013 -0.00018 0.00007 133 2PZ -0.00015 -0.00025 0.00010 0.00019 0.00004 134 3S -0.00043 0.00012 0.00022 -0.00035 0.00062 135 3PX -0.00010 -0.00023 0.00016 0.00023 0.00007 136 3PY -0.00010 -0.00004 0.00020 -0.00015 0.00021 137 3PZ 0.00005 -0.00029 0.00029 -0.00013 0.00021 138 4XX 0.00000 -0.00010 0.00006 0.00006 0.00003 139 4YY -0.00001 0.00003 -0.00003 -0.00001 -0.00002 140 4ZZ 0.00002 0.00006 -0.00005 -0.00005 -0.00004 141 4XY 0.00000 0.00006 -0.00003 -0.00004 0.00001 142 4XZ 0.00002 -0.00004 0.00001 0.00001 0.00000 143 4YZ 0.00000 0.00004 -0.00002 -0.00003 0.00002 144 14 H 1S -0.00005 -0.00056 0.00035 0.00030 0.00022 145 2S 0.00014 -0.00073 0.00052 0.00034 0.00030 146 15 H 1S 0.00006 0.00031 -0.00020 -0.00023 -0.00013 147 2S 0.00027 0.00021 -0.00015 -0.00038 -0.00019 148 16 C 1S 0.00003 -0.00011 -0.00007 -0.00001 0.00001 149 2S -0.00014 0.00033 -0.00010 -0.00001 0.00011 150 2PX 0.00030 -0.00060 -0.00025 0.00021 -0.00055 151 2PY -0.00012 0.00027 -0.00013 -0.00009 0.00005 152 2PZ 0.00011 -0.00037 0.00008 0.00012 0.00003 153 3S -0.00031 0.00034 0.00063 0.00040 -0.00013 154 3PX 0.00017 -0.00063 -0.00055 0.00021 -0.00083 155 3PY -0.00002 0.00013 -0.00003 0.00026 0.00015 156 3PZ 0.00007 -0.00047 0.00012 0.00033 -0.00031 157 4XX -0.00001 -0.00004 0.00000 0.00000 -0.00002 158 4YY -0.00002 0.00001 -0.00002 0.00000 0.00001 159 4ZZ 0.00003 -0.00001 -0.00003 -0.00003 0.00001 160 4XY 0.00000 0.00002 -0.00001 -0.00002 -0.00001 161 4XZ 0.00005 -0.00004 0.00003 -0.00004 -0.00002 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S -0.00001 -0.00002 -0.00002 0.00010 -0.00003 164 2S 0.00003 -0.00001 -0.00015 0.00020 0.00045 165 18 C 1S -0.00001 -0.00002 0.00003 -0.00001 -0.00002 166 2S -0.00004 0.00007 0.00028 0.00010 0.00033 167 2PX 0.00108 -0.00052 0.00043 -0.00082 -0.00030 168 2PY -0.00002 0.00003 -0.00011 0.00000 -0.00010 169 2PZ 0.00029 -0.00024 0.00037 -0.00016 -0.00013 170 3S 0.00026 0.00025 -0.00038 -0.00039 -0.00001 171 3PX 0.00075 -0.00039 0.00066 -0.00057 0.00008 172 3PY 0.00008 0.00007 -0.00014 -0.00004 -0.00041 173 3PZ 0.00012 -0.00037 0.00059 0.00006 0.00015 174 4XX 0.00002 -0.00004 -0.00005 -0.00001 -0.00003 175 4YY 0.00000 0.00001 0.00004 0.00001 0.00004 176 4ZZ -0.00002 0.00003 0.00005 0.00000 0.00006 177 4XY 0.00004 0.00004 -0.00001 -0.00006 0.00000 178 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00001 0.00000 0.00000 -0.00001 0.00001 180 19 H 1S -0.00005 0.00006 0.00022 0.00008 0.00012 181 2S -0.00002 0.00016 -0.00011 -0.00005 -0.00037 182 20 C 1S 0.00007 0.00017 0.00006 -0.00009 0.00006 183 2S -0.00002 0.00015 -0.00018 0.00015 -0.00018 184 2PX 0.00009 0.00156 -0.00106 -0.00114 -0.00046 185 2PY 0.00008 0.00019 -0.00041 0.00003 -0.00015 186 2PZ 0.00040 0.00076 -0.00044 -0.00040 -0.00019 187 3S 0.00033 0.00043 -0.00028 0.00063 0.00010 188 3PX 0.00009 0.00110 -0.00138 -0.00073 -0.00094 189 3PY 0.00021 -0.00021 -0.00020 -0.00012 -0.00003 190 3PZ 0.00025 0.00051 -0.00042 -0.00046 0.00027 191 4XX -0.00002 -0.00010 0.00005 -0.00001 0.00003 192 4YY -0.00004 0.00005 -0.00005 0.00000 -0.00005 193 4ZZ 0.00003 0.00000 -0.00001 -0.00001 -0.00004 194 4XY 0.00001 -0.00001 -0.00001 0.00003 0.00001 195 4XZ 0.00007 -0.00004 0.00001 -0.00004 0.00001 196 4YZ -0.00001 -0.00001 0.00001 0.00001 0.00001 197 21 H 1S -0.00005 0.00030 -0.00041 0.00004 -0.00022 198 2S -0.00042 0.00029 0.00014 -0.00015 0.00013 199 22 C 1S -0.00016 -0.00030 -0.00005 -0.00018 -0.00012 200 2S -0.00001 0.00026 0.00024 0.00038 0.00024 201 2PX 0.00133 0.00069 -0.00029 -0.00154 -0.00019 202 2PY 0.00000 0.00012 0.00004 0.00020 0.00009 203 2PZ -0.00005 -0.00006 0.00024 -0.00007 0.00038 204 3S -0.00029 -0.00029 -0.00001 0.00044 -0.00042 205 3PX 0.00089 0.00035 0.00023 -0.00104 0.00022 206 3PY 0.00007 0.00025 0.00026 0.00007 -0.00008 207 3PZ 0.00024 0.00037 0.00013 -0.00012 0.00033 208 4XX 0.00002 -0.00001 -0.00002 -0.00006 -0.00004 209 4YY 0.00000 0.00003 0.00002 0.00000 0.00003 210 4ZZ -0.00001 0.00000 0.00006 0.00003 0.00004 211 4XY -0.00003 0.00004 -0.00005 0.00002 0.00000 212 4XZ 0.00000 -0.00006 0.00003 0.00002 0.00000 213 4YZ -0.00003 0.00001 0.00000 0.00003 0.00003 214 23 H 1S -0.00030 0.00000 0.00026 0.00047 0.00036 215 2S -0.00027 -0.00027 -0.00003 0.00016 0.00032 91 92 93 94 95 91 7 H 1S 0.21482 92 2S 0.15694 0.14022 93 8 H 1S -0.01153 -0.02116 0.21431 94 2S -0.02065 -0.03441 0.15589 0.13785 95 9 H 1S 0.00191 0.00815 -0.02228 -0.02573 0.21431 96 2S 0.00857 0.02209 -0.02573 -0.02916 0.15589 97 10 H 1S -0.02337 -0.02616 0.00191 0.00857 -0.01153 98 2S -0.02616 -0.03123 0.00815 0.02209 -0.02116 99 11 O 1S 0.00327 -0.00447 0.00307 -0.00397 0.00149 100 2S -0.00635 0.00737 -0.00637 0.00634 -0.00252 101 2PX 0.00655 -0.03998 -0.00186 0.02802 -0.01750 102 2PY -0.01531 -0.05046 -0.01830 -0.04899 -0.00864 103 2PZ -0.01798 0.02325 0.02179 -0.03601 0.00254 104 3S -0.02236 0.00516 -0.01801 0.00678 -0.01226 105 3PX 0.00311 -0.03072 0.00026 0.02434 -0.01661 106 3PY -0.01315 -0.03116 -0.01491 -0.03122 -0.00812 107 3PZ -0.01176 0.02066 0.01508 -0.02714 0.00337 108 4XX 0.00142 0.00122 0.00051 0.00065 0.00060 109 4YY -0.00059 -0.00307 -0.00076 -0.00293 0.00025 110 4ZZ 0.00099 0.00123 0.00149 0.00121 0.00043 111 4XY 0.00112 -0.00032 -0.00111 -0.00098 -0.00009 112 4XZ -0.00090 -0.00066 -0.00059 -0.00057 -0.00007 113 4YZ -0.00182 -0.00119 0.00176 -0.00012 -0.00034 114 12 O 1S 0.00161 0.00265 0.00149 0.00198 0.00308 115 2S -0.00301 -0.00550 -0.00252 -0.00336 -0.00637 116 2PX 0.00960 0.02311 -0.01751 -0.02866 -0.00188 117 2PY 0.01210 0.02060 0.00862 0.01362 0.01830 118 2PZ -0.01231 -0.02263 0.00254 0.01125 0.02179 119 3S -0.01183 -0.01102 -0.01226 -0.01091 -0.01801 120 3PX 0.00993 0.02061 -0.01662 -0.02527 0.00024 121 3PY 0.01079 0.01503 0.00811 0.01004 0.01491 122 3PZ -0.01262 -0.02061 0.00337 0.01040 0.01508 123 4XX 0.00040 0.00039 0.00060 0.00050 0.00051 124 4YY 0.00016 -0.00028 0.00025 0.00003 -0.00076 125 4ZZ 0.00048 0.00044 0.00043 0.00044 0.00149 126 4XY 0.00020 0.00005 0.00009 0.00016 0.00111 127 4XZ -0.00007 -0.00011 -0.00008 -0.00012 -0.00058 128 4YZ -0.00015 -0.00022 0.00034 0.00030 -0.00176 129 13 C 1S -0.00029 -0.00083 0.00338 0.00083 0.00338 130 2S 0.00056 0.00234 -0.00697 -0.00320 -0.00697 131 2PX -0.00063 -0.00246 0.00990 0.00602 0.00991 132 2PY -0.00012 -0.00009 0.01150 0.01076 -0.01150 133 2PZ -0.00114 -0.00087 0.00871 -0.00035 0.00871 134 3S 0.00159 0.00402 -0.00817 -0.00232 -0.00817 135 3PX 0.00009 0.00036 0.00311 0.00240 0.00312 136 3PY -0.00020 -0.00013 0.00681 0.00620 -0.00681 137 3PZ -0.00181 -0.00157 0.01566 0.00833 0.01566 138 4XX -0.00022 -0.00043 0.00109 0.00050 0.00109 139 4YY 0.00003 0.00021 -0.00031 -0.00036 -0.00031 140 4ZZ 0.00013 0.00022 -0.00014 0.00040 -0.00014 141 4XY -0.00018 -0.00045 -0.00071 -0.00071 0.00071 142 4XZ -0.00008 -0.00027 0.00055 0.00017 0.00055 143 4YZ -0.00020 -0.00040 0.00033 0.00012 -0.00033 144 14 H 1S -0.00095 -0.00211 0.00658 0.00329 0.00658 145 2S -0.00172 -0.00454 0.00753 0.00284 0.00753 146 15 H 1S 0.00092 0.00127 -0.00616 0.00077 -0.00616 147 2S 0.00005 0.00022 0.00524 0.00729 0.00524 148 16 C 1S 0.00004 -0.00004 0.00512 0.00350 -0.00151 149 2S -0.00040 -0.00012 -0.01126 -0.00585 0.00459 150 2PX 0.00336 0.00798 0.00477 0.00485 -0.01332 151 2PY -0.00039 -0.00179 0.00225 0.00108 0.00343 152 2PZ 0.00152 0.00155 0.01742 0.02204 -0.00861 153 3S 0.00251 0.00356 -0.02924 -0.02350 0.00370 154 3PX 0.00200 0.00650 0.01041 0.00798 -0.01318 155 3PY 0.00110 -0.00185 -0.00422 -0.00177 -0.00921 156 3PZ 0.00409 0.00497 -0.00159 0.00098 -0.00898 157 4XX -0.00003 0.00003 0.00008 -0.00067 0.00083 158 4YY -0.00005 0.00013 -0.00125 -0.00061 -0.00032 159 4ZZ -0.00019 -0.00048 0.00217 0.00208 -0.00050 160 4XY 0.00007 0.00008 0.00073 0.00044 0.00048 161 4XZ 0.00003 -0.00012 0.00271 0.00137 -0.00061 162 4YZ 0.00005 0.00004 0.00057 0.00078 0.00030 163 17 H 1S 0.00036 0.00171 -0.00922 -0.00585 -0.00155 164 2S 0.00055 -0.00140 -0.00544 0.00116 -0.01075 165 18 C 1S 0.00051 0.00044 -0.00194 -0.00245 0.00031 166 2S -0.00056 -0.00029 0.00573 0.00865 -0.00206 167 2PX 0.00319 0.00248 0.01499 0.00701 -0.01107 168 2PY 0.00124 0.00072 -0.00310 -0.00132 0.00195 169 2PZ 0.00012 0.00250 -0.00285 -0.01278 -0.00342 170 3S -0.00538 -0.00436 0.00900 0.01010 0.00948 171 3PX 0.00195 0.00145 0.01416 0.00618 -0.01036 172 3PY 0.00176 0.00226 -0.01076 -0.00973 0.00869 173 3PZ 0.00094 0.00170 -0.00317 -0.00648 -0.00698 174 4XX 0.00004 -0.00007 0.00018 -0.00004 -0.00029 175 4YY 0.00004 0.00005 0.00003 -0.00013 0.00005 176 4ZZ -0.00015 -0.00016 -0.00014 -0.00027 0.00031 177 4XY -0.00008 -0.00033 -0.00058 -0.00098 0.00098 178 4XZ -0.00011 -0.00023 -0.00092 -0.00083 0.00031 179 4YZ 0.00005 -0.00016 0.00003 0.00023 -0.00011 180 19 H 1S -0.00110 0.00044 -0.00134 -0.00435 0.00048 181 2S 0.00167 0.00292 -0.00342 -0.00729 0.00452 182 20 C 1S 0.00008 -0.00041 -0.00151 -0.00096 0.00512 183 2S 0.00027 0.00144 0.00459 0.00250 -0.01126 184 2PX -0.00156 -0.00496 -0.01332 -0.01542 0.00478 185 2PY -0.00031 -0.00268 -0.00344 -0.00349 -0.00225 186 2PZ -0.00099 -0.00352 -0.00861 -0.01173 0.01742 187 3S -0.00219 -0.00110 0.00370 0.00106 -0.02924 188 3PX -0.00160 -0.00556 -0.01318 -0.01231 0.01041 189 3PY -0.00129 -0.00274 0.00921 0.00905 0.00423 190 3PZ -0.00148 -0.00526 -0.00898 -0.00993 -0.00158 191 4XX -0.00004 -0.00014 0.00083 0.00095 0.00008 192 4YY 0.00008 0.00018 -0.00032 -0.00017 -0.00125 193 4ZZ 0.00008 0.00007 -0.00050 -0.00061 0.00217 194 4XY -0.00004 -0.00013 -0.00048 -0.00034 -0.00073 195 4XZ -0.00015 -0.00042 -0.00061 -0.00094 0.00271 196 4YZ -0.00001 0.00003 -0.00030 -0.00022 -0.00057 197 21 H 1S 0.00008 -0.00067 -0.00155 -0.00185 -0.00921 198 2S 0.00246 0.00261 -0.01075 -0.01070 -0.00544 199 22 C 1S -0.00013 -0.00008 0.00031 0.00043 -0.00194 200 2S 0.00018 -0.00015 -0.00206 -0.00323 0.00573 201 2PX -0.00112 -0.00638 -0.01106 -0.01874 0.01499 202 2PY -0.00071 -0.00131 -0.00196 -0.00562 0.00311 203 2PZ -0.00055 -0.00237 -0.00342 -0.00478 -0.00285 204 3S 0.00182 0.00193 0.00948 0.00890 0.00901 205 3PX -0.00153 -0.00477 -0.01035 -0.01459 0.01415 206 3PY 0.00030 0.00082 -0.00869 -0.00989 0.01077 207 3PZ -0.00098 -0.00298 -0.00698 -0.00932 -0.00317 208 4XX -0.00012 -0.00012 -0.00029 -0.00033 0.00018 209 4YY -0.00001 -0.00003 0.00005 0.00021 0.00003 210 4ZZ -0.00004 0.00015 0.00031 0.00014 -0.00014 211 4XY -0.00022 -0.00028 -0.00098 -0.00062 0.00058 212 4XZ 0.00004 0.00011 0.00031 0.00053 -0.00092 213 4YZ -0.00005 -0.00011 0.00011 0.00046 -0.00003 214 23 H 1S -0.00014 -0.00033 0.00048 -0.00016 -0.00134 215 2S -0.00043 -0.00047 0.00452 0.00519 -0.00342 96 97 98 99 100 96 2S 0.13785 97 10 H 1S -0.02065 0.21482 98 2S -0.03441 0.15694 0.14022 99 11 O 1S 0.00198 0.00161 0.00265 2.07870 100 2S -0.00336 -0.00301 -0.00549 -0.18242 0.50228 101 2PX -0.02866 0.00961 0.02312 0.00534 -0.01408 102 2PY -0.01364 -0.01210 -0.02058 0.04127 -0.08228 103 2PZ 0.01125 -0.01231 -0.02264 0.00324 -0.00848 104 3S -0.01092 -0.01183 -0.01102 -0.24487 0.59902 105 3PX -0.02526 0.00994 0.02062 0.00420 -0.01000 106 3PY -0.01005 -0.01078 -0.01501 0.03471 -0.06389 107 3PZ 0.01040 -0.01262 -0.02062 0.00254 -0.00579 108 4XX 0.00050 0.00040 0.00039 -0.01244 -0.00951 109 4YY 0.00003 0.00016 -0.00028 -0.01052 -0.01114 110 4ZZ 0.00044 0.00048 0.00044 -0.01235 -0.00972 111 4XY -0.00016 -0.00020 -0.00005 0.00043 -0.00071 112 4XZ -0.00012 -0.00007 -0.00011 -0.00139 0.00303 113 4YZ -0.00030 0.00015 0.00022 0.00036 -0.00063 114 12 O 1S -0.00397 0.00327 -0.00447 0.00020 -0.00028 115 2S 0.00634 -0.00635 0.00737 -0.00028 0.00221 116 2PX 0.02799 0.00654 -0.04002 0.00001 0.00073 117 2PY 0.04900 0.01532 0.05042 0.00020 -0.00434 118 2PZ -0.03603 -0.01798 0.02324 0.00001 0.00027 119 3S 0.00678 -0.02236 0.00516 -0.00138 -0.00211 120 3PX 0.02432 0.00310 -0.03075 -0.00007 0.00037 121 3PY 0.03124 0.01315 0.03114 0.00030 -0.00145 122 3PZ -0.02715 -0.01176 0.02065 0.00008 0.00000 123 4XX 0.00065 0.00142 0.00121 0.00005 0.00026 124 4YY -0.00293 -0.00059 -0.00307 0.00013 0.00025 125 4ZZ 0.00121 0.00099 0.00123 0.00005 0.00030 126 4XY 0.00098 -0.00111 0.00033 -0.00002 0.00002 127 4XZ -0.00057 -0.00090 -0.00066 -0.00001 -0.00001 128 4YZ 0.00012 0.00182 0.00119 -0.00003 0.00003 129 13 C 1S 0.00083 -0.00029 -0.00083 0.00024 -0.00018 130 2S -0.00320 0.00056 0.00234 0.00049 -0.00110 131 2PX 0.00603 -0.00063 -0.00246 0.00035 0.00017 132 2PY -0.01076 0.00012 0.00009 0.00074 -0.00163 133 2PZ -0.00035 -0.00114 -0.00087 0.00016 0.00044 134 3S -0.00233 0.00159 0.00401 -0.00476 0.00804 135 3PX 0.00241 0.00009 0.00036 0.00143 -0.00148 136 3PY -0.00620 0.00020 0.00013 0.00147 -0.00307 137 3PZ 0.00833 -0.00181 -0.00157 -0.00081 0.00101 138 4XX 0.00050 -0.00022 -0.00043 0.00014 -0.00011 139 4YY -0.00036 0.00003 0.00021 0.00003 -0.00008 140 4ZZ 0.00040 0.00013 0.00022 0.00007 -0.00033 141 4XY 0.00071 0.00018 0.00045 -0.00007 0.00025 142 4XZ 0.00017 -0.00008 -0.00027 0.00004 -0.00005 143 4YZ -0.00012 0.00020 0.00039 0.00007 -0.00012 144 14 H 1S 0.00329 -0.00095 -0.00211 0.00040 0.00007 145 2S 0.00284 -0.00172 -0.00454 0.00027 0.00025 146 15 H 1S 0.00077 0.00092 0.00127 -0.00013 -0.00052 147 2S 0.00729 0.00005 0.00022 0.00001 -0.00150 148 16 C 1S -0.00096 0.00008 -0.00041 0.00002 0.00104 149 2S 0.00250 0.00027 0.00144 0.00013 -0.00046 150 2PX -0.01543 -0.00156 -0.00496 -0.00136 -0.00094 151 2PY 0.00349 0.00031 0.00267 -0.00116 0.00385 152 2PZ -0.01173 -0.00099 -0.00351 -0.00019 -0.00023 153 3S 0.00106 -0.00220 -0.00110 0.00331 -0.00026 154 3PX -0.01231 -0.00160 -0.00557 0.00187 -0.00775 155 3PY -0.00905 0.00129 0.00274 -0.00005 0.00302 156 3PZ -0.00993 -0.00148 -0.00526 -0.00172 0.00380 157 4XX 0.00095 -0.00004 -0.00014 0.00012 -0.00036 158 4YY -0.00017 0.00008 0.00018 0.00003 -0.00040 159 4ZZ -0.00061 0.00008 0.00007 -0.00011 -0.00010 160 4XY 0.00034 0.00004 0.00013 0.00009 -0.00030 161 4XZ -0.00094 -0.00015 -0.00042 -0.00001 -0.00018 162 4YZ 0.00022 0.00001 -0.00003 -0.00004 0.00007 163 17 H 1S -0.00185 0.00008 -0.00067 0.00088 -0.00275 164 2S -0.01070 0.00246 0.00261 -0.00261 0.00491 165 18 C 1S 0.00043 -0.00013 -0.00008 0.00008 0.00050 166 2S -0.00323 0.00018 -0.00015 -0.00042 0.00099 167 2PX -0.01876 -0.00112 -0.00638 -0.00090 -0.00313 168 2PY 0.00561 0.00071 0.00131 -0.00047 0.00003 169 2PZ -0.00478 -0.00055 -0.00237 -0.00006 -0.00187 170 3S 0.00889 0.00182 0.00193 0.00257 -0.00913 171 3PX -0.01460 -0.00153 -0.00477 -0.00070 -0.00255 172 3PY 0.00989 -0.00030 -0.00082 0.00022 -0.00128 173 3PZ -0.00932 -0.00098 -0.00298 -0.00037 0.00119 174 4XX -0.00033 -0.00012 -0.00012 -0.00008 0.00012 175 4YY 0.00021 -0.00001 -0.00003 0.00002 -0.00021 176 4ZZ 0.00014 -0.00004 0.00015 -0.00002 0.00012 177 4XY 0.00062 0.00022 0.00028 0.00004 -0.00017 178 4XZ 0.00053 0.00004 0.00011 0.00008 -0.00009 179 4YZ -0.00046 0.00005 0.00011 0.00005 -0.00015 180 19 H 1S -0.00016 -0.00014 -0.00033 0.00021 -0.00021 181 2S 0.00519 -0.00043 -0.00047 -0.00054 0.00131 182 20 C 1S 0.00350 0.00004 -0.00004 -0.00016 0.00044 183 2S -0.00585 -0.00040 -0.00012 0.00014 -0.00059 184 2PX 0.00485 0.00335 0.00798 -0.00043 0.00120 185 2PY -0.00108 0.00039 0.00180 -0.00067 0.00200 186 2PZ 0.02205 0.00152 0.00155 -0.00020 0.00108 187 3S -0.02351 0.00251 0.00356 0.00201 -0.00485 188 3PX 0.00798 0.00201 0.00650 -0.00043 0.00187 189 3PY 0.00179 -0.00110 0.00185 -0.00120 0.00195 190 3PZ 0.00098 0.00409 0.00497 -0.00053 0.00157 191 4XX -0.00067 -0.00003 0.00003 -0.00002 0.00001 192 4YY -0.00061 -0.00005 0.00013 -0.00006 0.00015 193 4ZZ 0.00208 -0.00019 -0.00048 0.00000 -0.00009 194 4XY -0.00044 -0.00007 -0.00008 -0.00007 0.00016 195 4XZ 0.00137 0.00003 -0.00012 0.00000 -0.00014 196 4YZ -0.00078 -0.00005 -0.00004 0.00002 0.00000 197 21 H 1S -0.00585 0.00036 0.00171 -0.00040 0.00113 198 2S 0.00115 0.00055 -0.00139 -0.00039 0.00158 199 22 C 1S -0.00245 0.00051 0.00044 0.00009 0.00046 200 2S 0.00865 -0.00056 -0.00029 0.00004 -0.00094 201 2PX 0.00701 0.00319 0.00248 -0.00058 -0.00178 202 2PY 0.00133 -0.00123 -0.00072 0.00026 0.00031 203 2PZ -0.01278 0.00012 0.00250 -0.00030 -0.00045 204 3S 0.01010 -0.00538 -0.00436 -0.00129 0.00332 205 3PX 0.00617 0.00196 0.00145 -0.00031 -0.00128 206 3PY 0.00973 -0.00175 -0.00226 0.00079 -0.00159 207 3PZ -0.00648 0.00094 0.00170 0.00006 -0.00128 208 4XX -0.00005 0.00004 -0.00007 -0.00001 -0.00004 209 4YY -0.00013 0.00004 0.00005 -0.00007 0.00014 210 4ZZ -0.00027 -0.00015 -0.00016 0.00003 -0.00012 211 4XY 0.00098 0.00008 0.00033 -0.00001 0.00023 212 4XZ -0.00083 -0.00011 -0.00023 0.00000 0.00002 213 4YZ -0.00024 -0.00005 0.00016 -0.00002 0.00008 214 23 H 1S -0.00436 -0.00110 0.00044 0.00003 0.00001 215 2S -0.00729 0.00167 0.00292 -0.00002 0.00020 101 102 103 104 105 101 2PX 0.68659 102 2PY 0.00026 0.60049 103 2PZ -0.13538 0.01050 0.70008 104 3S -0.01766 -0.24258 -0.00872 0.76575 105 3PX 0.46895 -0.01100 -0.10557 -0.00898 0.32257 106 3PY -0.00678 0.32746 0.00476 -0.14986 -0.01066 107 3PZ -0.10561 0.00122 0.47860 -0.00388 -0.08095 108 4XX 0.00606 -0.00547 -0.00172 -0.01016 0.00412 109 4YY -0.00330 0.04158 -0.00188 -0.02361 -0.00290 110 4ZZ -0.00199 -0.00537 0.00449 -0.01036 -0.00131 111 4XY 0.03360 0.00297 -0.00060 -0.00163 0.02228 112 4XZ 0.00305 -0.00024 0.00472 0.00377 0.00196 113 4YZ -0.00077 0.00208 0.03375 -0.00115 -0.00103 114 12 O 1S 0.00001 -0.00020 0.00001 -0.00138 -0.00007 115 2S 0.00073 0.00434 0.00027 -0.00211 0.00037 116 2PX 0.03809 -0.00765 0.02647 -0.00448 0.02822 117 2PY 0.00768 -0.00191 0.00734 0.01445 0.00667 118 2PZ 0.02648 -0.00732 0.02922 -0.00330 0.02151 119 3S -0.00446 -0.01446 -0.00329 0.01464 -0.00214 120 3PX 0.02822 -0.00664 0.02151 -0.00215 0.02092 121 3PY 0.00684 0.00267 0.00649 0.00378 0.00538 122 3PZ 0.02247 -0.00551 0.02087 -0.00185 0.01820 123 4XX 0.00071 0.00112 0.00048 -0.00017 0.00051 124 4YY -0.00022 0.00065 -0.00040 -0.00177 -0.00030 125 4ZZ 0.00015 0.00132 0.00005 -0.00023 0.00008 126 4XY -0.00107 0.00048 -0.00087 0.00035 -0.00086 127 4XZ 0.00034 0.00006 0.00033 0.00007 0.00027 128 4YZ -0.00093 0.00033 -0.00091 0.00034 -0.00071 129 13 C 1S -0.00441 0.00109 -0.00306 -0.00232 -0.00333 130 2S 0.00436 -0.00039 0.00799 -0.00094 0.00352 131 2PX -0.01328 0.00294 -0.00969 -0.00568 -0.01190 132 2PY -0.00695 -0.00039 0.00075 -0.00405 -0.00475 133 2PZ 0.00371 -0.00110 0.00060 -0.00527 0.00345 134 3S 0.05111 -0.02349 0.01831 0.01702 0.03584 135 3PX -0.00742 0.00417 0.00310 -0.00857 -0.00637 136 3PY -0.01811 0.00315 -0.00360 -0.00603 -0.01207 137 3PZ 0.01649 -0.01204 0.00839 0.00312 0.01109 138 4XX -0.00258 0.00049 -0.00196 -0.00138 -0.00204 139 4YY 0.00060 -0.00022 0.00103 0.00010 0.00059 140 4ZZ 0.00040 -0.00035 0.00114 0.00051 0.00026 141 4XY -0.00188 0.00065 -0.00237 -0.00029 -0.00142 142 4XZ -0.00059 0.00052 -0.00095 -0.00009 -0.00053 143 4YZ -0.00144 0.00048 -0.00164 -0.00055 -0.00107 144 14 H 1S -0.01045 0.00265 -0.00951 -0.00632 -0.00896 145 2S -0.02176 0.00584 -0.02377 -0.00584 -0.01707 146 15 H 1S 0.00395 -0.00092 0.00395 0.00512 0.00246 147 2S 0.00371 -0.00566 0.01007 0.00637 0.00189 148 16 C 1S 0.00671 -0.00220 0.00470 -0.00433 0.00330 149 2S -0.01577 0.00161 -0.01021 -0.00427 -0.00847 150 2PX 0.05927 -0.01340 0.05466 0.02493 0.04593 151 2PY 0.00596 -0.00120 -0.00482 -0.00043 0.00206 152 2PZ 0.02464 -0.00545 0.01915 0.00379 0.01829 153 3S -0.03817 0.03809 -0.01564 -0.01614 -0.02435 154 3PX 0.00778 -0.00519 0.04016 0.00654 0.00848 155 3PY 0.01146 0.01182 -0.02447 -0.00237 0.00817 156 3PZ 0.04102 -0.00074 0.01840 0.01047 0.02893 157 4XX -0.00119 -0.00034 0.00021 -0.00078 -0.00131 158 4YY 0.00008 0.00000 0.00047 -0.00004 0.00042 159 4ZZ -0.00010 -0.00018 -0.00073 0.00046 -0.00009 160 4XY 0.00108 -0.00035 0.00078 -0.00015 0.00069 161 4XZ -0.00080 -0.00058 0.00055 0.00090 -0.00072 162 4YZ 0.00044 -0.00016 0.00023 0.00020 0.00036 163 17 H 1S -0.00388 0.00241 0.00152 -0.00001 0.00023 164 2S 0.04713 -0.00930 -0.01200 0.01213 0.03572 165 18 C 1S 0.00106 0.00007 0.00187 -0.00226 -0.00032 166 2S 0.00278 0.00268 -0.00135 0.00114 0.00332 167 2PX 0.00947 -0.00752 0.02236 0.02867 0.00678 168 2PY 0.00493 0.00040 0.00513 0.00725 0.00323 169 2PZ -0.00299 -0.00178 0.00694 0.00981 -0.00225 170 3S -0.03982 -0.01594 -0.01539 -0.00790 -0.02783 171 3PX 0.00558 -0.00769 0.01976 0.01908 0.00372 172 3PY -0.00490 -0.00239 -0.00043 0.00026 -0.00433 173 3PZ 0.00944 0.01046 -0.00289 0.00706 0.00720 174 4XX 0.00184 0.00002 0.00118 0.00055 0.00123 175 4YY 0.00042 0.00030 0.00057 0.00013 0.00041 176 4ZZ -0.00163 0.00025 -0.00081 -0.00075 -0.00110 177 4XY -0.00163 0.00043 -0.00180 0.00014 -0.00134 178 4XZ -0.00229 0.00054 -0.00157 -0.00078 -0.00182 179 4YZ -0.00050 0.00019 -0.00041 0.00012 -0.00035 180 19 H 1S -0.00501 0.00096 -0.00450 -0.00342 -0.00306 181 2S -0.00046 -0.00495 0.00822 -0.00043 -0.00099 182 20 C 1S -0.00266 0.00117 -0.00560 0.00056 -0.00217 183 2S 0.00982 -0.00433 0.01017 0.00111 0.00756 184 2PX -0.01953 0.01040 -0.03096 0.00180 -0.01465 185 2PY -0.00519 0.00526 -0.01113 0.00264 -0.00487 186 2PZ -0.01286 0.00550 -0.01975 -0.00158 -0.01099 187 3S -0.01025 0.00083 0.02950 -0.00843 -0.00481 188 3PX -0.01780 0.01263 -0.03848 0.00013 -0.01394 189 3PY 0.01746 -0.00929 -0.00808 0.00699 0.01142 190 3PZ -0.01896 0.00991 -0.02547 -0.00196 -0.01390 191 4XX -0.00061 -0.00026 -0.00122 -0.00022 -0.00051 192 4YY 0.00095 -0.00015 0.00017 0.00017 0.00072 193 4ZZ -0.00086 -0.00008 -0.00094 0.00037 -0.00076 194 4XY -0.00005 0.00011 -0.00042 0.00013 -0.00003 195 4XZ -0.00175 0.00025 -0.00241 0.00055 -0.00142 196 4YZ 0.00022 0.00008 0.00002 -0.00010 0.00019 197 21 H 1S 0.00137 0.00223 -0.00144 0.00208 0.00090 198 2S -0.00358 0.00788 -0.00426 -0.00011 -0.00258 199 22 C 1S -0.00046 -0.00019 -0.00115 -0.00315 -0.00024 200 2S 0.00235 -0.00120 0.00363 0.00322 0.00183 201 2PX -0.03084 0.00652 -0.03452 0.01708 -0.02463 202 2PY -0.00431 -0.00088 -0.00468 -0.00512 -0.00384 203 2PZ -0.00643 0.00231 -0.00916 0.00704 -0.00453 204 3S 0.02006 0.00263 0.00704 0.01101 0.01329 205 3PX -0.02065 0.00226 -0.02470 0.01144 -0.01669 206 3PY -0.00979 -0.00250 -0.00560 -0.00404 -0.00775 207 3PZ -0.01611 0.00062 -0.00729 0.00217 -0.01145 208 4XX -0.00073 -0.00012 -0.00091 -0.00005 -0.00057 209 4YY 0.00069 -0.00004 0.00021 0.00027 0.00053 210 4ZZ 0.00112 -0.00087 0.00124 -0.00028 0.00087 211 4XY -0.00072 0.00055 -0.00158 -0.00098 -0.00054 212 4XZ -0.00005 -0.00012 0.00039 -0.00004 -0.00004 213 4YZ 0.00040 -0.00004 -0.00016 -0.00034 0.00035 214 23 H 1S 0.00415 -0.00131 0.00334 -0.00032 0.00339 215 2S 0.00749 -0.00161 0.00216 -0.00066 0.00597 106 107 108 109 110 106 3PY 0.18078 107 3PZ 0.00023 0.32940 108 4XX -0.00285 -0.00121 0.00051 109 4YY 0.02263 -0.00160 -0.00019 0.00322 110 4ZZ -0.00272 0.00308 0.00042 -0.00016 0.00049 111 4XY 0.00129 -0.00092 0.00029 0.00001 -0.00012 112 4XZ -0.00024 0.00310 -0.00004 -0.00011 -0.00004 113 4YZ 0.00100 0.02240 -0.00007 -0.00001 0.00021 114 12 O 1S -0.00030 0.00008 0.00005 0.00013 0.00005 115 2S 0.00145 0.00000 0.00026 0.00025 0.00030 116 2PX -0.00682 0.02246 0.00071 -0.00022 0.00015 117 2PY 0.00267 0.00552 -0.00112 -0.00065 -0.00132 118 2PZ -0.00647 0.02087 0.00048 -0.00040 0.00005 119 3S -0.00378 -0.00185 -0.00017 -0.00177 -0.00023 120 3PX -0.00537 0.01819 0.00051 -0.00030 0.00008 121 3PY 0.00210 0.00482 -0.00049 0.00009 -0.00060 122 3PZ -0.00480 0.01490 0.00035 -0.00035 0.00001 123 4XX 0.00049 0.00035 -0.00002 0.00009 -0.00003 124 4YY -0.00009 -0.00035 0.00009 0.00011 0.00011 125 4ZZ 0.00060 0.00001 -0.00003 0.00011 -0.00002 126 4XY 0.00039 -0.00072 -0.00003 0.00001 -0.00001 127 4XZ 0.00006 0.00027 0.00000 -0.00001 0.00000 128 4YZ 0.00028 -0.00072 -0.00002 0.00000 0.00000 129 13 C 1S 0.00033 -0.00278 0.00017 0.00009 0.00007 130 2S -0.00066 0.00754 -0.00018 0.00004 0.00010 131 2PX 0.00095 -0.01007 0.00051 0.00031 0.00015 132 2PY -0.00137 -0.00078 0.00031 -0.00013 -0.00001 133 2PZ -0.00201 -0.00084 0.00033 0.00011 0.00039 134 3S -0.01371 0.01476 0.00003 -0.00184 0.00004 135 3PX 0.00091 0.00135 0.00040 0.00050 0.00028 136 3PY 0.00135 -0.00312 0.00010 0.00031 0.00003 137 3PZ -0.00691 0.00469 0.00020 -0.00084 0.00012 138 4XX 0.00007 -0.00171 0.00009 0.00007 0.00004 139 4YY -0.00012 0.00080 -0.00001 -0.00002 0.00000 140 4ZZ 0.00002 0.00096 -0.00006 -0.00003 -0.00003 141 4XY 0.00033 -0.00189 0.00003 0.00004 0.00001 142 4XZ 0.00035 -0.00082 0.00000 0.00002 -0.00002 143 4YZ 0.00017 -0.00131 0.00003 0.00002 0.00000 144 14 H 1S 0.00038 -0.00874 0.00044 0.00034 0.00020 145 2S 0.00285 -0.01975 0.00043 0.00052 -0.00001 146 15 H 1S 0.00059 0.00441 -0.00039 -0.00020 -0.00026 147 2S -0.00145 0.00773 -0.00041 -0.00056 -0.00027 148 16 C 1S -0.00274 0.00334 0.00048 0.00036 0.00073 149 2S 0.00043 -0.00740 0.00031 0.00023 0.00009 150 2PX -0.00291 0.04436 -0.00178 -0.00147 -0.00061 151 2PY -0.00079 -0.00322 -0.00016 0.00053 0.00048 152 2PZ -0.00220 0.01412 -0.00043 -0.00012 0.00011 153 3S 0.01949 -0.01010 0.00008 0.00291 -0.00029 154 3PX 0.00064 0.03220 -0.00132 -0.00044 -0.00009 155 3PY 0.00586 -0.01638 -0.00005 0.00108 -0.00010 156 3PZ 0.00053 0.01438 -0.00044 -0.00023 -0.00030 157 4XX -0.00021 -0.00014 0.00005 0.00000 0.00002 158 4YY 0.00000 0.00052 -0.00002 -0.00003 -0.00002 159 4ZZ 0.00008 -0.00052 -0.00006 -0.00001 -0.00002 160 4XY -0.00015 0.00061 -0.00002 -0.00001 0.00001 161 4XZ 0.00000 0.00021 -0.00004 -0.00008 -0.00006 162 4YZ -0.00008 0.00011 0.00000 -0.00002 -0.00002 163 17 H 1S 0.00145 0.00167 0.00006 -0.00026 -0.00034 164 2S -0.00562 -0.00769 0.00025 -0.00122 -0.00049 165 18 C 1S -0.00071 0.00063 0.00032 0.00034 0.00028 166 2S 0.00164 -0.00010 -0.00025 0.00017 -0.00015 167 2PX 0.00482 0.01590 -0.00192 -0.00124 -0.00161 168 2PY 0.00228 0.00359 -0.00033 -0.00025 -0.00049 169 2PZ 0.00137 0.00624 -0.00063 -0.00081 -0.00069 170 3S -0.00747 -0.01180 0.00014 -0.00087 0.00051 171 3PX 0.00156 0.01391 -0.00120 -0.00104 -0.00108 172 3PY -0.00056 -0.00062 0.00008 -0.00023 0.00000 173 3PZ 0.00744 -0.00043 -0.00063 0.00044 -0.00080 174 4XX 0.00009 0.00079 -0.00003 -0.00001 -0.00002 175 4YY 0.00020 0.00053 -0.00002 -0.00001 -0.00003 176 4ZZ -0.00006 -0.00059 0.00004 0.00005 0.00004 177 4XY 0.00043 -0.00151 -0.00001 0.00000 -0.00005 178 4XZ 0.00022 -0.00135 0.00006 0.00005 0.00001 179 4YZ 0.00026 -0.00048 0.00000 0.00001 -0.00003 180 19 H 1S -0.00075 -0.00209 0.00009 -0.00001 0.00014 181 2S -0.00400 0.00594 0.00020 -0.00052 0.00033 182 20 C 1S 0.00108 -0.00457 0.00004 0.00008 -0.00007 183 2S -0.00314 0.00850 -0.00004 -0.00042 0.00008 184 2PX 0.00729 -0.02574 0.00006 0.00023 -0.00042 185 2PY 0.00444 -0.00948 -0.00009 0.00042 -0.00008 186 2PZ 0.00286 -0.01550 0.00025 0.00010 0.00001 187 3S -0.00128 0.02281 0.00005 0.00004 0.00058 188 3PX 0.00802 -0.03047 0.00008 0.00051 -0.00034 189 3PY -0.00424 -0.00637 -0.00002 -0.00064 -0.00018 190 3PZ 0.00560 -0.01981 0.00015 0.00044 -0.00003 191 4XX -0.00017 -0.00100 0.00003 0.00000 0.00000 192 4YY -0.00006 0.00018 -0.00001 0.00000 0.00002 193 4ZZ 0.00010 -0.00070 -0.00002 -0.00002 -0.00004 194 4XY 0.00008 -0.00032 0.00001 0.00000 0.00001 195 4XZ 0.00046 -0.00194 -0.00003 0.00000 -0.00007 196 4YZ 0.00001 0.00005 0.00000 0.00001 0.00000 197 21 H 1S 0.00193 -0.00145 -0.00011 0.00014 0.00000 198 2S 0.00485 -0.00338 -0.00004 0.00054 -0.00001 199 22 C 1S -0.00087 -0.00101 0.00024 0.00017 0.00029 200 2S -0.00006 0.00317 -0.00010 -0.00035 -0.00025 201 2PX 0.01074 -0.02874 -0.00093 -0.00044 -0.00164 202 2PY -0.00209 -0.00378 0.00037 0.00018 0.00042 203 2PZ 0.00438 -0.00829 -0.00040 0.00005 -0.00067 204 3S 0.00266 0.00535 -0.00051 -0.00013 -0.00076 205 3PX 0.00603 -0.02051 -0.00053 -0.00035 -0.00117 206 3PY -0.00177 -0.00428 0.00028 -0.00003 0.00023 207 3PZ 0.00199 -0.00675 -0.00004 -0.00017 -0.00025 208 4XX -0.00002 -0.00074 0.00001 -0.00001 0.00001 209 4YY 0.00003 0.00016 -0.00001 0.00000 -0.00001 210 4ZZ -0.00065 0.00104 0.00003 -0.00004 0.00003 211 4XY -0.00002 -0.00118 0.00007 0.00005 0.00005 212 4XZ -0.00008 0.00033 0.00000 0.00001 0.00001 213 4YZ -0.00012 -0.00013 0.00002 0.00003 0.00002 214 23 H 1S -0.00100 0.00243 0.00006 0.00004 0.00005 215 2S -0.00127 0.00172 -0.00002 0.00013 0.00011 111 112 113 114 115 111 4XY 0.00188 112 4XZ 0.00020 0.00009 113 4YZ 0.00016 0.00028 0.00187 114 12 O 1S 0.00002 -0.00001 0.00003 2.07870 115 2S -0.00002 -0.00001 -0.00003 -0.18242 0.50228 116 2PX 0.00107 0.00034 0.00093 0.00537 -0.01414 117 2PY 0.00048 -0.00006 0.00033 -0.04127 0.08227 118 2PZ 0.00087 0.00033 0.00091 0.00324 -0.00849 119 3S -0.00035 0.00007 -0.00034 -0.24486 0.59901 120 3PX 0.00087 0.00027 0.00071 0.00423 -0.01004 121 3PY 0.00039 -0.00006 0.00029 -0.03471 0.06389 122 3PZ 0.00072 0.00027 0.00072 0.00254 -0.00579 123 4XX 0.00003 0.00000 0.00002 -0.01244 -0.00951 124 4YY -0.00001 -0.00001 0.00000 -0.01052 -0.01113 125 4ZZ 0.00001 0.00000 0.00000 -0.01235 -0.00972 126 4XY -0.00001 -0.00001 -0.00003 -0.00043 0.00071 127 4XZ 0.00001 0.00001 0.00000 -0.00139 0.00303 128 4YZ -0.00003 0.00000 -0.00001 -0.00036 0.00063 129 13 C 1S -0.00022 -0.00006 -0.00005 0.00024 -0.00018 130 2S 0.00023 0.00007 0.00015 0.00049 -0.00110 131 2PX -0.00064 -0.00010 -0.00022 0.00035 0.00017 132 2PY -0.00048 0.00003 -0.00005 -0.00074 0.00163 133 2PZ 0.00016 -0.00001 0.00002 0.00016 0.00045 134 3S 0.00261 0.00047 0.00081 -0.00476 0.00804 135 3PX -0.00029 -0.00001 0.00003 0.00144 -0.00148 136 3PY -0.00106 -0.00011 -0.00027 -0.00147 0.00307 137 3PZ 0.00096 0.00009 0.00061 -0.00081 0.00101 138 4XX -0.00013 -0.00002 -0.00005 0.00014 -0.00011 139 4YY 0.00003 0.00001 0.00002 0.00003 -0.00008 140 4ZZ 0.00004 0.00000 0.00004 0.00007 -0.00033 141 4XY -0.00009 -0.00001 -0.00005 0.00007 -0.00025 142 4XZ -0.00003 -0.00001 -0.00002 0.00004 -0.00005 143 4YZ -0.00008 -0.00001 -0.00004 -0.00007 0.00012 144 14 H 1S -0.00055 -0.00010 -0.00027 0.00040 0.00007 145 2S -0.00117 -0.00026 -0.00070 0.00027 0.00025 146 15 H 1S 0.00023 0.00006 0.00013 -0.00013 -0.00052 147 2S 0.00035 0.00004 0.00055 0.00001 -0.00150 148 16 C 1S 0.00027 0.00001 0.00020 -0.00016 0.00044 149 2S -0.00091 -0.00004 -0.00049 0.00014 -0.00059 150 2PX 0.00280 0.00028 0.00144 -0.00043 0.00120 151 2PY 0.00045 -0.00006 0.00009 0.00067 -0.00200 152 2PZ 0.00088 0.00012 0.00039 -0.00020 0.00108 153 3S -0.00180 -0.00016 -0.00134 0.00201 -0.00485 154 3PX 0.00030 -0.00002 0.00095 -0.00043 0.00188 155 3PY 0.00030 -0.00012 -0.00118 0.00120 -0.00195 156 3PZ 0.00211 0.00028 0.00035 -0.00053 0.00157 157 4XX 0.00002 0.00000 0.00005 -0.00002 0.00001 158 4YY -0.00004 0.00000 -0.00001 -0.00006 0.00015 159 4ZZ -0.00003 -0.00002 -0.00001 0.00000 -0.00009 160 4XY 0.00008 0.00000 0.00003 0.00007 -0.00016 161 4XZ 0.00001 -0.00002 0.00005 0.00000 -0.00014 162 4YZ 0.00002 0.00000 0.00000 -0.00002 0.00000 163 17 H 1S -0.00040 0.00004 -0.00021 -0.00040 0.00113 164 2S 0.00175 0.00022 -0.00057 -0.00039 0.00158 165 18 C 1S 0.00001 -0.00004 0.00003 0.00009 0.00046 166 2S -0.00005 0.00004 -0.00019 0.00004 -0.00094 167 2PX 0.00120 -0.00022 0.00078 -0.00058 -0.00178 168 2PY 0.00026 -0.00011 0.00037 -0.00026 -0.00031 169 2PZ 0.00037 0.00000 0.00023 -0.00030 -0.00045 170 3S -0.00216 -0.00029 -0.00034 -0.00129 0.00331 171 3PX 0.00085 -0.00013 0.00081 -0.00031 -0.00128 172 3PY -0.00004 -0.00003 0.00007 -0.00079 0.00159 173 3PZ 0.00068 -0.00005 -0.00052 0.00006 -0.00128 174 4XX 0.00011 0.00002 0.00007 -0.00001 -0.00004 175 4YY 0.00001 0.00000 0.00001 -0.00007 0.00014 176 4ZZ -0.00009 0.00000 -0.00003 0.00003 -0.00012 177 4XY -0.00003 -0.00001 -0.00002 0.00001 -0.00023 178 4XZ -0.00009 -0.00001 -0.00003 0.00000 0.00002 179 4YZ -0.00002 -0.00001 0.00000 0.00002 -0.00008 180 19 H 1S -0.00021 0.00008 -0.00029 0.00003 0.00001 181 2S 0.00026 0.00021 0.00050 -0.00002 0.00020 182 20 C 1S -0.00006 -0.00001 -0.00014 0.00002 0.00104 183 2S 0.00041 0.00009 0.00018 0.00013 -0.00045 184 2PX -0.00078 0.00003 -0.00053 -0.00136 -0.00094 185 2PY -0.00026 -0.00006 -0.00014 0.00116 -0.00385 186 2PZ -0.00046 0.00002 -0.00032 -0.00019 -0.00023 187 3S -0.00082 0.00011 0.00087 0.00331 -0.00026 188 3PX -0.00073 -0.00006 -0.00099 0.00187 -0.00775 189 3PY 0.00095 0.00000 -0.00018 0.00005 -0.00302 190 3PZ -0.00107 -0.00006 -0.00058 -0.00172 0.00380 191 4XX -0.00003 -0.00002 -0.00005 0.00012 -0.00036 192 4YY 0.00004 0.00000 0.00001 0.00003 -0.00040 193 4ZZ -0.00001 -0.00001 -0.00003 -0.00011 -0.00010 194 4XY -0.00002 0.00000 -0.00001 -0.00009 0.00030 195 4XZ -0.00004 -0.00003 -0.00006 -0.00001 -0.00018 196 4YZ 0.00001 0.00001 -0.00001 0.00004 -0.00007 197 21 H 1S -0.00001 0.00001 0.00005 0.00088 -0.00275 198 2S -0.00031 0.00001 -0.00003 -0.00261 0.00490 199 22 C 1S -0.00002 0.00001 -0.00007 0.00008 0.00050 200 2S 0.00009 0.00002 0.00019 -0.00042 0.00099 201 2PX -0.00056 -0.00032 -0.00062 -0.00090 -0.00313 202 2PY -0.00013 0.00008 -0.00018 0.00047 -0.00003 203 2PZ -0.00008 -0.00013 -0.00017 -0.00006 -0.00187 204 3S 0.00128 0.00004 0.00021 0.00257 -0.00912 205 3PX -0.00033 -0.00023 -0.00050 -0.00070 -0.00255 206 3PY -0.00036 -0.00001 -0.00018 -0.00022 0.00128 207 3PZ -0.00070 -0.00008 0.00004 -0.00037 0.00119 208 4XX -0.00003 0.00000 -0.00003 -0.00008 0.00012 209 4YY 0.00002 0.00000 0.00001 0.00002 -0.00021 210 4ZZ 0.00005 0.00001 0.00002 -0.00002 0.00012 211 4XY -0.00006 0.00001 -0.00004 -0.00004 0.00017 212 4XZ -0.00001 -0.00001 0.00000 0.00008 -0.00009 213 4YZ 0.00000 0.00000 -0.00001 -0.00005 0.00015 214 23 H 1S 0.00014 0.00004 0.00007 0.00021 -0.00021 215 2S 0.00026 0.00002 -0.00006 -0.00054 0.00131 116 117 118 119 120 116 2PX 0.68661 117 2PY -0.00020 0.60050 118 2PZ -0.13538 -0.01060 0.70006 119 3S -0.01785 0.24258 -0.00871 0.76574 120 3PX 0.46894 0.01110 -0.10557 -0.00910 0.32256 121 3PY 0.00689 0.32747 -0.00484 0.14986 0.01076 122 3PZ -0.10561 -0.00129 0.47858 -0.00387 -0.08096 123 4XX 0.00610 0.00547 -0.00172 -0.01016 0.00415 124 4YY -0.00331 -0.04158 -0.00188 -0.02361 -0.00291 125 4ZZ -0.00199 0.00536 0.00449 -0.01036 -0.00131 126 4XY -0.03360 0.00299 0.00060 0.00165 -0.02227 127 4XZ 0.00305 0.00024 0.00475 0.00376 0.00196 128 4YZ 0.00077 0.00208 -0.03374 0.00116 0.00103 129 13 C 1S -0.00440 -0.00109 -0.00306 -0.00232 -0.00333 130 2S 0.00436 0.00040 0.00799 -0.00094 0.00352 131 2PX -0.01328 -0.00295 -0.00969 -0.00568 -0.01190 132 2PY 0.00694 -0.00038 -0.00075 0.00404 0.00474 133 2PZ 0.00371 0.00110 0.00060 -0.00527 0.00345 134 3S 0.05109 0.02354 0.01831 0.01702 0.03583 135 3PX -0.00743 -0.00418 0.00310 -0.00857 -0.00638 136 3PY 0.01810 0.00315 0.00360 0.00602 0.01206 137 3PZ 0.01648 0.01206 0.00839 0.00312 0.01108 138 4XX -0.00258 -0.00050 -0.00196 -0.00138 -0.00204 139 4YY 0.00060 0.00022 0.00103 0.00010 0.00059 140 4ZZ 0.00040 0.00035 0.00114 0.00051 0.00026 141 4XY 0.00188 0.00065 0.00237 0.00029 0.00142 142 4XZ -0.00059 -0.00052 -0.00095 -0.00009 -0.00053 143 4YZ 0.00144 0.00048 0.00164 0.00055 0.00107 144 14 H 1S -0.01044 -0.00265 -0.00951 -0.00632 -0.00895 145 2S -0.02174 -0.00585 -0.02377 -0.00584 -0.01706 146 15 H 1S 0.00394 0.00092 0.00395 0.00512 0.00246 147 2S 0.00371 0.00566 0.01007 0.00637 0.00189 148 16 C 1S -0.00265 -0.00117 -0.00560 0.00056 -0.00217 149 2S 0.00981 0.00433 0.01017 0.00111 0.00755 150 2PX -0.01952 -0.01042 -0.03097 0.00180 -0.01464 151 2PY 0.00517 0.00526 0.01112 -0.00264 0.00486 152 2PZ -0.01284 -0.00551 -0.01975 -0.00158 -0.01098 153 3S -0.01026 -0.00083 0.02948 -0.00843 -0.00482 154 3PX -0.01777 -0.01265 -0.03848 0.00013 -0.01392 155 3PY -0.01745 -0.00931 0.00806 -0.00699 -0.01142 156 3PZ -0.01894 -0.00993 -0.02547 -0.00196 -0.01388 157 4XX -0.00061 0.00026 -0.00122 -0.00022 -0.00052 158 4YY 0.00095 0.00015 0.00017 0.00017 0.00072 159 4ZZ -0.00086 0.00008 -0.00094 0.00037 -0.00076 160 4XY 0.00004 0.00011 0.00042 -0.00013 0.00003 161 4XZ -0.00175 -0.00025 -0.00241 0.00055 -0.00142 162 4YZ -0.00022 0.00008 -0.00003 0.00010 -0.00019 163 17 H 1S 0.00138 -0.00222 -0.00144 0.00209 0.00090 164 2S -0.00356 -0.00788 -0.00425 -0.00010 -0.00256 165 18 C 1S -0.00046 0.00019 -0.00115 -0.00315 -0.00024 166 2S 0.00235 0.00120 0.00362 0.00322 0.00183 167 2PX -0.03083 -0.00654 -0.03453 0.01708 -0.02462 168 2PY 0.00429 -0.00088 0.00466 0.00512 0.00382 169 2PZ -0.00643 -0.00232 -0.00916 0.00705 -0.00452 170 3S 0.02002 -0.00262 0.00704 0.01100 0.01327 171 3PX -0.02065 -0.00228 -0.02471 0.01144 -0.01669 172 3PY 0.00977 -0.00249 0.00559 0.00404 0.00773 173 3PZ -0.01610 -0.00063 -0.00730 0.00218 -0.01144 174 4XX -0.00073 0.00011 -0.00091 -0.00005 -0.00057 175 4YY 0.00069 0.00004 0.00021 0.00027 0.00053 176 4ZZ 0.00112 0.00087 0.00124 -0.00028 0.00087 177 4XY 0.00072 0.00055 0.00157 0.00098 0.00054 178 4XZ -0.00005 0.00012 0.00039 -0.00004 -0.00004 179 4YZ -0.00040 -0.00004 0.00016 0.00034 -0.00035 180 19 H 1S 0.00415 0.00132 0.00334 -0.00032 0.00339 181 2S 0.00749 0.00162 0.00217 -0.00066 0.00596 182 20 C 1S 0.00671 0.00221 0.00471 -0.00433 0.00330 183 2S -0.01576 -0.00163 -0.01021 -0.00427 -0.00847 184 2PX 0.05925 0.01345 0.05466 0.02493 0.04591 185 2PY -0.00593 -0.00119 0.00484 0.00045 -0.00204 186 2PZ 0.02463 0.00547 0.01915 0.00380 0.01828 187 3S -0.03814 -0.03812 -0.01565 -0.01613 -0.02433 188 3PX 0.00777 0.00519 0.04014 0.00653 0.00847 189 3PY -0.01145 0.01183 0.02447 0.00238 -0.00816 190 3PZ 0.04099 0.00076 0.01842 0.01046 0.02891 191 4XX -0.00119 0.00034 0.00021 -0.00078 -0.00131 192 4YY 0.00008 0.00000 0.00047 -0.00004 0.00041 193 4ZZ -0.00010 0.00018 -0.00073 0.00046 -0.00009 194 4XY -0.00108 -0.00035 -0.00078 0.00015 -0.00069 195 4XZ -0.00080 0.00058 0.00055 0.00090 -0.00072 196 4YZ -0.00044 -0.00016 -0.00023 -0.00020 -0.00036 197 21 H 1S -0.00387 -0.00241 0.00152 0.00000 0.00023 198 2S 0.04709 0.00932 -0.01198 0.01212 0.03569 199 22 C 1S 0.00106 -0.00007 0.00187 -0.00226 -0.00032 200 2S 0.00279 -0.00267 -0.00134 0.00115 0.00332 201 2PX 0.00945 0.00753 0.02235 0.02868 0.00677 202 2PY -0.00492 0.00040 -0.00511 -0.00723 -0.00323 203 2PZ -0.00300 0.00178 0.00694 0.00981 -0.00226 204 3S -0.03979 0.01593 -0.01540 -0.00789 -0.02781 205 3PX 0.00556 0.00770 0.01975 0.01908 0.00372 206 3PY 0.00489 -0.00239 0.00044 -0.00026 0.00432 207 3PZ 0.00943 -0.01046 -0.00287 0.00706 0.00719 208 4XX 0.00184 -0.00002 0.00118 0.00055 0.00123 209 4YY 0.00043 -0.00030 0.00057 0.00013 0.00042 210 4ZZ -0.00163 -0.00025 -0.00081 -0.00075 -0.00110 211 4XY 0.00163 0.00043 0.00180 -0.00014 0.00134 212 4XZ -0.00229 -0.00054 -0.00157 -0.00078 -0.00182 213 4YZ 0.00050 0.00019 0.00041 -0.00012 0.00035 214 23 H 1S -0.00500 -0.00096 -0.00450 -0.00342 -0.00306 215 2S -0.00045 0.00495 0.00821 -0.00043 -0.00099 121 122 123 124 125 121 3PY 0.18080 122 3PZ -0.00029 0.32939 123 4XX 0.00285 -0.00121 0.00051 124 4YY -0.02264 -0.00160 -0.00019 0.00322 125 4ZZ 0.00272 0.00308 0.00042 -0.00016 0.00049 126 4XY 0.00130 0.00092 -0.00029 -0.00001 0.00012 127 4XZ 0.00024 0.00311 -0.00004 -0.00011 -0.00004 128 4YZ 0.00100 -0.02240 0.00007 0.00001 -0.00021 129 13 C 1S -0.00033 -0.00278 0.00016 0.00009 0.00007 130 2S 0.00066 0.00754 -0.00018 0.00004 0.00010 131 2PX -0.00096 -0.01007 0.00051 0.00031 0.00015 132 2PY -0.00137 0.00078 -0.00031 0.00013 0.00001 133 2PZ 0.00201 -0.00084 0.00033 0.00011 0.00039 134 3S 0.01374 0.01476 0.00003 -0.00185 0.00004 135 3PX -0.00092 0.00135 0.00040 0.00050 0.00028 136 3PY 0.00136 0.00312 -0.00010 -0.00031 -0.00003 137 3PZ 0.00692 0.00470 0.00021 -0.00084 0.00012 138 4XX -0.00007 -0.00171 0.00009 0.00007 0.00004 139 4YY 0.00012 0.00080 -0.00001 -0.00002 0.00000 140 4ZZ -0.00002 0.00096 -0.00006 -0.00003 -0.00003 141 4XY 0.00033 0.00189 -0.00003 -0.00004 -0.00001 142 4XZ -0.00035 -0.00083 0.00000 0.00002 -0.00002 143 4YZ 0.00017 0.00131 -0.00003 -0.00002 0.00000 144 14 H 1S -0.00038 -0.00874 0.00044 0.00034 0.00020 145 2S -0.00286 -0.01975 0.00043 0.00052 -0.00001 146 15 H 1S -0.00059 0.00442 -0.00039 -0.00021 -0.00026 147 2S 0.00145 0.00774 -0.00041 -0.00056 -0.00027 148 16 C 1S -0.00108 -0.00457 0.00004 0.00008 -0.00007 149 2S 0.00314 0.00850 -0.00004 -0.00042 0.00008 150 2PX -0.00730 -0.02575 0.00006 0.00023 -0.00042 151 2PY 0.00445 0.00947 0.00009 -0.00042 0.00008 152 2PZ -0.00286 -0.01549 0.00025 0.00010 0.00001 153 3S 0.00128 0.02279 0.00005 0.00004 0.00058 154 3PX -0.00803 -0.03048 0.00008 0.00051 -0.00034 155 3PY -0.00425 0.00635 0.00002 0.00064 0.00018 156 3PZ -0.00561 -0.01981 0.00015 0.00045 -0.00003 157 4XX 0.00017 -0.00100 0.00003 0.00000 0.00000 158 4YY 0.00006 0.00019 -0.00001 0.00000 0.00002 159 4ZZ -0.00010 -0.00070 -0.00002 -0.00002 -0.00004 160 4XY 0.00008 0.00031 -0.00001 0.00000 -0.00001 161 4XZ -0.00047 -0.00194 -0.00003 0.00000 -0.00007 162 4YZ 0.00001 -0.00005 0.00000 -0.00001 0.00000 163 17 H 1S -0.00193 -0.00144 -0.00011 0.00014 0.00000 164 2S -0.00485 -0.00338 -0.00004 0.00054 -0.00001 165 18 C 1S 0.00087 -0.00101 0.00024 0.00017 0.00029 166 2S 0.00006 0.00317 -0.00010 -0.00035 -0.00025 167 2PX -0.01076 -0.02875 -0.00094 -0.00044 -0.00164 168 2PY -0.00210 0.00376 -0.00037 -0.00018 -0.00042 169 2PZ -0.00438 -0.00830 -0.00040 0.00005 -0.00067 170 3S -0.00265 0.00535 -0.00051 -0.00013 -0.00076 171 3PX -0.00604 -0.02052 -0.00053 -0.00035 -0.00117 172 3PY -0.00177 0.00427 -0.00028 0.00003 -0.00023 173 3PZ -0.00200 -0.00675 -0.00004 -0.00017 -0.00025 174 4XX 0.00002 -0.00075 0.00001 -0.00001 0.00001 175 4YY -0.00002 0.00016 -0.00001 0.00000 -0.00001 176 4ZZ 0.00066 0.00104 0.00003 -0.00004 0.00003 177 4XY -0.00002 0.00118 -0.00007 -0.00005 -0.00005 178 4XZ 0.00008 0.00033 0.00000 0.00001 0.00001 179 4YZ -0.00012 0.00013 -0.00002 -0.00003 -0.00002 180 19 H 1S 0.00101 0.00243 0.00006 0.00004 0.00005 181 2S 0.00128 0.00172 -0.00002 0.00013 0.00011 182 20 C 1S 0.00274 0.00335 0.00048 0.00036 0.00073 183 2S -0.00043 -0.00741 0.00031 0.00023 0.00009 184 2PX 0.00295 0.04435 -0.00178 -0.00148 -0.00061 185 2PY -0.00079 0.00324 0.00015 -0.00053 -0.00048 186 2PZ 0.00221 0.01412 -0.00043 -0.00012 0.00011 187 3S -0.01951 -0.01010 0.00008 0.00291 -0.00029 188 3PX -0.00063 0.03219 -0.00132 -0.00044 -0.00009 189 3PY 0.00587 0.01638 0.00005 -0.00108 0.00010 190 3PZ -0.00051 0.01440 -0.00043 -0.00023 -0.00030 191 4XX 0.00021 -0.00014 0.00005 0.00000 0.00002 192 4YY 0.00000 0.00052 -0.00002 -0.00003 -0.00002 193 4ZZ -0.00009 -0.00052 -0.00006 -0.00001 -0.00002 194 4XY -0.00015 -0.00061 0.00002 0.00001 -0.00001 195 4XZ 0.00000 0.00021 -0.00004 -0.00008 -0.00006 196 4YZ -0.00008 -0.00011 0.00000 0.00002 0.00002 197 21 H 1S -0.00145 0.00167 0.00006 -0.00026 -0.00034 198 2S 0.00564 -0.00767 0.00025 -0.00122 -0.00049 199 22 C 1S 0.00071 0.00063 0.00032 0.00034 0.00028 200 2S -0.00163 -0.00009 -0.00025 0.00017 -0.00015 201 2PX -0.00482 0.01590 -0.00192 -0.00124 -0.00161 202 2PY 0.00228 -0.00357 0.00033 0.00025 0.00049 203 2PZ -0.00137 0.00623 -0.00063 -0.00081 -0.00069 204 3S 0.00746 -0.01181 0.00014 -0.00087 0.00051 205 3PX -0.00156 0.01391 -0.00120 -0.00104 -0.00108 206 3PY -0.00056 0.00063 -0.00008 0.00023 0.00000 207 3PZ -0.00743 -0.00042 -0.00063 0.00044 -0.00080 208 4XX -0.00009 0.00079 -0.00003 -0.00001 -0.00002 209 4YY -0.00019 0.00053 -0.00002 -0.00001 -0.00003 210 4ZZ 0.00006 -0.00059 0.00004 0.00005 0.00004 211 4XY 0.00043 0.00151 0.00001 0.00000 0.00005 212 4XZ -0.00023 -0.00135 0.00006 0.00005 0.00001 213 4YZ 0.00026 0.00048 0.00000 -0.00001 0.00003 214 23 H 1S 0.00074 -0.00209 0.00009 -0.00001 0.00014 215 2S 0.00400 0.00593 0.00020 -0.00052 0.00033 126 127 128 129 130 126 4XY 0.00188 127 4XZ -0.00020 0.00009 128 4YZ 0.00016 -0.00028 0.00187 129 13 C 1S 0.00022 -0.00006 0.00005 2.05187 130 2S -0.00023 0.00007 -0.00015 -0.05528 0.31100 131 2PX 0.00064 -0.00010 0.00022 -0.00158 -0.00201 132 2PY -0.00048 -0.00003 -0.00005 0.00000 0.00000 133 2PZ -0.00016 -0.00001 -0.00002 0.00255 -0.00190 134 3S -0.00261 0.00047 -0.00081 -0.19056 0.29251 135 3PX 0.00029 -0.00001 -0.00003 0.00014 0.00624 136 3PY -0.00106 0.00011 -0.00027 0.00000 0.00001 137 3PZ -0.00096 0.00009 -0.00061 0.00024 -0.00887 138 4XX 0.00013 -0.00002 0.00005 -0.01727 -0.00161 139 4YY -0.00003 0.00001 -0.00002 -0.01415 -0.00803 140 4ZZ -0.00004 0.00000 -0.00004 -0.01848 0.00061 141 4XY -0.00009 0.00001 -0.00005 0.00000 0.00000 142 4XZ 0.00003 -0.00001 0.00002 -0.00027 0.00081 143 4YZ -0.00008 0.00001 -0.00004 0.00000 0.00000 144 14 H 1S 0.00055 -0.00010 0.00027 -0.05176 0.09980 145 2S 0.00117 -0.00026 0.00070 -0.00266 0.01302 146 15 H 1S -0.00023 0.00006 -0.00013 -0.05585 0.10753 147 2S -0.00035 0.00004 -0.00055 -0.00830 0.02187 148 16 C 1S 0.00006 -0.00001 0.00014 0.01234 -0.02332 149 2S -0.00041 0.00009 -0.00018 -0.02270 0.04045 150 2PX 0.00078 0.00003 0.00053 -0.02741 0.05236 151 2PY -0.00026 0.00006 -0.00014 -0.04717 0.09368 152 2PZ 0.00046 0.00002 0.00032 0.03281 -0.07181 153 3S 0.00082 0.00011 -0.00087 -0.00036 0.01920 154 3PX 0.00073 -0.00006 0.00099 -0.00242 0.00915 155 3PY 0.00095 0.00000 -0.00018 -0.00890 0.02545 156 3PZ 0.00107 -0.00006 0.00058 0.00171 -0.01186 157 4XX 0.00003 -0.00002 0.00005 0.00006 -0.00058 158 4YY -0.00004 0.00000 -0.00001 -0.00269 0.00464 159 4ZZ 0.00001 -0.00001 0.00003 0.00080 -0.00256 160 4XY -0.00002 0.00000 -0.00001 -0.00385 0.00711 161 4XZ 0.00004 -0.00003 0.00006 0.00226 -0.00455 162 4YZ 0.00001 -0.00001 0.00000 0.00407 -0.00790 163 17 H 1S 0.00001 0.00001 -0.00005 0.01052 -0.02182 164 2S 0.00031 0.00001 0.00003 0.01002 -0.01987 165 18 C 1S 0.00002 0.00001 0.00007 -0.00480 0.01059 166 2S -0.00009 0.00002 -0.00019 0.00976 -0.02364 167 2PX 0.00056 -0.00032 0.00062 0.00847 -0.02964 168 2PY -0.00013 -0.00008 -0.00018 0.00735 -0.01200 169 2PZ 0.00008 -0.00013 0.00017 -0.00985 0.02333 170 3S -0.00128 0.00004 -0.00021 0.01725 -0.03554 171 3PX 0.00033 -0.00023 0.00050 0.00734 -0.02178 172 3PY -0.00036 0.00001 -0.00018 0.00159 -0.00164 173 3PZ 0.00070 -0.00008 -0.00004 -0.00609 0.01038 174 4XX 0.00003 0.00000 0.00003 -0.00071 0.00132 175 4YY -0.00002 0.00000 -0.00001 0.00079 -0.00151 176 4ZZ -0.00005 0.00001 -0.00002 -0.00154 0.00325 177 4XY -0.00006 -0.00001 -0.00004 -0.00001 -0.00010 178 4XZ 0.00001 -0.00001 0.00000 0.00102 -0.00229 179 4YZ 0.00000 0.00000 -0.00001 0.00112 -0.00248 180 19 H 1S -0.00014 0.00004 -0.00007 -0.00796 0.01726 181 2S -0.00026 0.00002 0.00006 -0.01012 0.02305 182 20 C 1S -0.00027 0.00001 -0.00020 0.01234 -0.02332 183 2S 0.00091 -0.00004 0.00049 -0.02270 0.04044 184 2PX -0.00280 0.00028 -0.00144 -0.02744 0.05242 185 2PY 0.00045 0.00006 0.00009 0.04714 -0.09363 186 2PZ -0.00088 0.00012 -0.00039 0.03282 -0.07183 187 3S 0.00180 -0.00016 0.00134 -0.00036 0.01920 188 3PX -0.00030 -0.00002 -0.00095 -0.00242 0.00917 189 3PY 0.00030 0.00012 -0.00118 0.00890 -0.02544 190 3PZ -0.00211 0.00028 -0.00035 0.00171 -0.01186 191 4XX -0.00002 0.00000 -0.00005 0.00006 -0.00057 192 4YY 0.00004 0.00000 0.00001 -0.00268 0.00462 193 4ZZ 0.00003 -0.00002 0.00001 0.00080 -0.00256 194 4XY 0.00008 0.00000 0.00003 0.00385 -0.00711 195 4XZ -0.00001 -0.00002 -0.00005 0.00226 -0.00456 196 4YZ 0.00002 0.00000 0.00000 -0.00407 0.00790 197 21 H 1S 0.00039 0.00004 0.00021 0.01051 -0.02182 198 2S -0.00175 0.00022 0.00057 0.01002 -0.01987 199 22 C 1S -0.00001 -0.00004 -0.00003 -0.00480 0.01059 200 2S 0.00005 0.00004 0.00019 0.00976 -0.02364 201 2PX -0.00120 -0.00021 -0.00078 0.00847 -0.02964 202 2PY 0.00026 0.00011 0.00037 -0.00734 0.01198 203 2PZ -0.00037 0.00000 -0.00023 -0.00985 0.02333 204 3S 0.00216 -0.00029 0.00034 0.01725 -0.03554 205 3PX -0.00085 -0.00013 -0.00081 0.00734 -0.02177 206 3PY -0.00004 0.00003 0.00007 -0.00159 0.00162 207 3PZ -0.00068 -0.00005 0.00052 -0.00609 0.01038 208 4XX -0.00011 0.00002 -0.00007 -0.00071 0.00132 209 4YY -0.00001 0.00000 -0.00001 0.00079 -0.00151 210 4ZZ 0.00009 0.00000 0.00003 -0.00154 0.00325 211 4XY -0.00003 0.00001 -0.00002 0.00000 0.00011 212 4XZ 0.00009 -0.00001 0.00003 0.00102 -0.00229 213 4YZ -0.00002 0.00001 0.00000 -0.00112 0.00248 214 23 H 1S 0.00021 0.00008 0.00029 -0.00796 0.01726 215 2S -0.00026 0.00021 -0.00050 -0.01012 0.02306 131 132 133 134 135 131 2PX 0.39924 132 2PY 0.00001 0.37725 133 2PZ 0.00372 0.00000 0.41347 134 3S -0.01634 0.00000 0.00966 0.32791 135 3PX 0.18216 0.00000 0.00489 -0.01334 0.09215 136 3PY 0.00000 0.17512 0.00000 0.00000 0.00000 137 3PZ 0.01071 0.00000 0.17862 0.01053 -0.00127 138 4XX 0.01977 0.00001 0.00945 -0.00232 0.00955 139 4YY -0.01043 -0.00001 0.00933 -0.00697 -0.00450 140 4ZZ -0.00375 0.00000 -0.02213 0.00270 -0.00233 141 4XY 0.00001 -0.01210 0.00000 0.00000 0.00001 142 4XZ 0.01335 0.00000 -0.00246 0.00055 0.00552 143 4YZ 0.00000 0.01399 0.00000 0.00000 0.00000 144 14 H 1S 0.25425 0.00008 0.07076 0.08464 0.11957 145 2S 0.21437 0.00007 0.05598 -0.00339 0.09700 146 15 H 1S -0.02040 0.00002 -0.26754 0.10177 -0.01103 147 2S -0.01480 0.00001 -0.22273 0.02474 -0.01386 148 16 C 1S 0.03363 0.05276 -0.02847 0.00432 0.00700 149 2S -0.07142 -0.11482 0.05587 0.01307 -0.02199 150 2PX -0.02303 -0.12815 0.06868 0.07377 -0.02166 151 2PY -0.10746 -0.17858 0.09597 0.11597 -0.04868 152 2PZ 0.08923 0.14490 -0.05633 -0.04975 0.03340 153 3S -0.07060 -0.07349 0.06261 -0.02552 -0.01236 154 3PX -0.00863 -0.05915 0.02008 0.01737 -0.01023 155 3PY -0.03463 -0.04487 0.03099 0.02001 -0.00916 156 3PZ 0.02968 0.06714 -0.01563 0.00222 0.00871 157 4XX 0.01081 -0.00120 0.00088 -0.00006 0.00452 158 4YY -0.00657 0.00678 0.00588 0.00194 -0.00171 159 4ZZ 0.00155 0.00140 -0.01146 -0.00041 -0.00070 160 4XY 0.00089 -0.00661 0.00604 0.00903 -0.00026 161 4XZ -0.00093 0.00403 0.00112 -0.00347 -0.00216 162 4YZ 0.00612 0.00616 -0.00013 -0.01039 0.00366 163 17 H 1S 0.01166 0.04678 -0.00965 -0.05206 0.01272 164 2S 0.01629 0.07857 -0.01113 -0.04277 0.01534 165 18 C 1S -0.00908 -0.00127 0.01438 0.01978 -0.00697 166 2S 0.01967 0.00956 -0.03538 -0.04001 0.01539 167 2PX -0.01932 -0.00955 -0.02352 -0.00430 -0.04249 168 2PY 0.01448 -0.02193 -0.01069 -0.08450 0.03280 169 2PZ -0.02847 -0.03483 0.02657 0.05176 -0.03393 170 3S 0.04372 -0.06033 -0.07185 -0.04265 0.01783 171 3PX -0.01546 -0.01125 -0.02426 -0.00180 -0.03171 172 3PY -0.00020 -0.04735 0.00893 -0.02404 0.00843 173 3PZ -0.01871 0.00650 0.01858 0.01547 -0.01619 174 4XX 0.00044 -0.00083 0.00216 0.00279 -0.00046 175 4YY 0.00166 0.00316 -0.00279 -0.00327 0.00135 176 4ZZ -0.00587 -0.00421 0.00508 0.00503 -0.00294 177 4XY -0.00157 -0.00021 0.00066 0.00158 -0.00218 178 4XZ 0.00282 0.00406 -0.00441 -0.00428 0.00196 179 4YZ 0.00323 0.00526 -0.00361 -0.00350 0.00121 180 19 H 1S -0.01844 -0.02217 0.01944 0.04675 -0.01855 181 2S -0.03410 -0.04501 0.03718 0.05482 -0.02527 182 20 C 1S 0.03366 -0.05273 -0.02848 0.00432 0.00701 183 2S -0.07150 0.11475 0.05589 0.01307 -0.02201 184 2PX -0.02320 0.12822 0.06876 0.07382 -0.02174 185 2PY 0.10754 -0.17839 -0.09594 -0.11591 0.04871 186 2PZ 0.08935 -0.14487 -0.05637 -0.04978 0.03346 187 3S -0.07065 0.07343 0.06261 -0.02552 -0.01237 188 3PX -0.00870 0.05917 0.02011 0.01737 -0.01026 189 3PY 0.03465 -0.04480 -0.03098 -0.02000 0.00917 190 3PZ 0.02973 -0.06712 -0.01565 0.00221 0.00873 191 4XX 0.01081 0.00121 0.00089 -0.00005 0.00452 192 4YY -0.00656 -0.00680 0.00587 0.00193 -0.00170 193 4ZZ 0.00155 -0.00140 -0.01146 -0.00041 -0.00070 194 4XY -0.00088 -0.00660 -0.00604 -0.00903 0.00027 195 4XZ -0.00093 -0.00403 0.00112 -0.00348 -0.00216 196 4YZ -0.00613 0.00615 0.00014 0.01039 -0.00366 197 21 H 1S 0.01169 -0.04677 -0.00966 -0.05206 0.01273 198 2S 0.01634 -0.07856 -0.01115 -0.04278 0.01537 199 22 C 1S -0.00908 0.00126 0.01438 0.01978 -0.00697 200 2S 0.01968 -0.00954 -0.03538 -0.04000 0.01540 201 2PX -0.01932 0.00956 -0.02352 -0.00436 -0.04248 202 2PY -0.01447 -0.02194 0.01067 0.08449 -0.03281 203 2PZ -0.02850 0.03480 0.02658 0.05177 -0.03396 204 3S 0.04368 0.06036 -0.07183 -0.04263 0.01781 205 3PX -0.01547 0.01127 -0.02425 -0.00182 -0.03171 206 3PY 0.00023 -0.04734 -0.00896 0.02402 -0.00843 207 3PZ -0.01871 -0.00652 0.01857 0.01547 -0.01619 208 4XX 0.00043 0.00083 0.00216 0.00279 -0.00046 209 4YY 0.00166 -0.00316 -0.00279 -0.00327 0.00135 210 4ZZ -0.00588 0.00421 0.00508 0.00503 -0.00294 211 4XY 0.00157 -0.00020 -0.00065 -0.00158 0.00218 212 4XZ 0.00282 -0.00406 -0.00441 -0.00428 0.00196 213 4YZ -0.00323 0.00525 0.00360 0.00349 -0.00121 214 23 H 1S -0.01846 0.02216 0.01945 0.04675 -0.01857 215 2S -0.03413 0.04498 0.03719 0.05482 -0.02530 136 137 138 139 140 136 3PY 0.08713 137 3PZ 0.00000 0.08815 138 4XX 0.00001 0.00350 0.00181 139 4YY -0.00001 0.00363 -0.00030 0.00134 140 4ZZ 0.00000 -0.00846 -0.00082 -0.00051 0.00194 141 4XY -0.00465 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 -0.00054 0.00062 -0.00031 -0.00020 143 4YZ 0.00581 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00004 0.03144 0.01513 -0.00789 -0.00637 145 2S 0.00003 0.02581 0.01416 -0.00560 -0.00648 146 15 H 1S 0.00001 -0.11485 -0.00796 -0.00865 0.01637 147 2S 0.00000 -0.08621 -0.00768 -0.00620 0.01512 148 16 C 1S 0.00818 -0.00352 0.00124 -0.00353 0.00047 149 2S -0.02866 0.01407 -0.00314 0.00601 -0.00127 150 2PX -0.07242 0.04435 -0.00523 0.00378 -0.00115 151 2PY -0.08080 0.04130 -0.00135 -0.00468 0.00000 152 2PZ 0.07848 -0.00979 0.00121 -0.00645 0.00936 153 3S -0.00493 0.00382 -0.00148 0.00802 -0.00493 154 3PX -0.03468 0.01598 -0.00298 0.00192 0.00031 155 3PY -0.01945 0.00449 0.00062 -0.00138 -0.00124 156 3PZ 0.03260 -0.00093 0.00024 -0.00254 0.00315 157 4XX -0.00141 0.00067 0.00082 -0.00043 -0.00039 158 4YY 0.00286 0.00133 -0.00031 0.00059 -0.00041 159 4ZZ 0.00052 -0.00353 -0.00026 -0.00055 0.00092 160 4XY -0.00331 0.00350 0.00003 -0.00013 -0.00016 161 4XZ 0.00157 0.00221 -0.00007 0.00006 0.00002 162 4YZ 0.00353 -0.00007 0.00015 0.00010 0.00012 163 17 H 1S 0.02698 -0.01141 -0.00132 0.00672 -0.00234 164 2S 0.03443 -0.01192 -0.00053 0.00420 -0.00191 165 18 C 1S -0.00269 0.00859 0.00036 0.00094 -0.00205 166 2S 0.00983 -0.01781 -0.00085 -0.00196 0.00461 167 2PX -0.00165 0.02933 -0.00727 -0.00090 0.00880 168 2PY -0.01087 -0.01881 -0.00049 0.00078 -0.00047 169 2PZ -0.04178 0.02252 -0.00175 0.00427 -0.00636 170 3S -0.02841 -0.02544 -0.00057 -0.00303 0.00582 171 3PX -0.00724 0.01659 -0.00453 -0.00073 0.00545 172 3PY -0.02261 -0.00101 -0.00022 0.00113 -0.00119 173 3PZ -0.00251 0.01146 -0.00089 0.00202 -0.00254 174 4XX -0.00073 0.00146 0.00003 0.00010 -0.00023 175 4YY 0.00063 -0.00155 -0.00006 0.00006 0.00007 176 4ZZ -0.00126 0.00194 -0.00001 0.00011 -0.00022 177 4XY -0.00039 0.00176 -0.00021 -0.00004 0.00018 178 4XZ 0.00210 -0.00269 0.00029 -0.00015 -0.00002 179 4YZ 0.00439 -0.00115 -0.00003 0.00011 0.00012 180 19 H 1S -0.02232 0.01052 0.00011 0.00096 -0.00257 181 2S -0.03402 0.01961 -0.00053 0.00135 -0.00282 182 20 C 1S -0.00817 -0.00352 0.00124 -0.00352 0.00047 183 2S 0.02864 0.01407 -0.00313 0.00599 -0.00127 184 2PX 0.07244 0.04438 -0.00524 0.00378 -0.00115 185 2PY -0.08070 -0.04128 0.00134 0.00470 -0.00001 186 2PZ -0.07848 -0.00981 0.00120 -0.00644 0.00937 187 3S 0.00492 0.00382 -0.00147 0.00802 -0.00493 188 3PX 0.03468 0.01598 -0.00298 0.00192 0.00031 189 3PY -0.01943 -0.00449 -0.00062 0.00139 0.00124 190 3PZ -0.03260 -0.00094 0.00023 -0.00253 0.00315 191 4XX 0.00142 0.00068 0.00082 -0.00043 -0.00039 192 4YY -0.00286 0.00132 -0.00031 0.00059 -0.00041 193 4ZZ -0.00052 -0.00353 -0.00026 -0.00055 0.00092 194 4XY -0.00331 -0.00350 -0.00003 0.00013 0.00016 195 4XZ -0.00158 0.00221 -0.00007 0.00007 0.00002 196 4YZ 0.00352 0.00007 -0.00015 -0.00010 -0.00012 197 21 H 1S -0.02696 -0.01142 -0.00132 0.00672 -0.00234 198 2S -0.03442 -0.01193 -0.00054 0.00420 -0.00191 199 22 C 1S 0.00269 0.00859 0.00036 0.00094 -0.00205 200 2S -0.00981 -0.01781 -0.00085 -0.00196 0.00461 201 2PX 0.00162 0.02932 -0.00728 -0.00090 0.00880 202 2PY -0.01091 0.01882 0.00048 -0.00078 0.00048 203 2PZ 0.04175 0.02252 -0.00175 0.00427 -0.00636 204 3S 0.02842 -0.02543 -0.00057 -0.00303 0.00582 205 3PX 0.00723 0.01660 -0.00454 -0.00073 0.00545 206 3PY -0.02261 0.00102 0.00022 -0.00113 0.00119 207 3PZ 0.00249 0.01146 -0.00089 0.00202 -0.00254 208 4XX 0.00073 0.00146 0.00003 0.00010 -0.00023 209 4YY -0.00063 -0.00155 -0.00006 0.00006 0.00007 210 4ZZ 0.00126 0.00194 -0.00001 0.00011 -0.00022 211 4XY -0.00039 -0.00176 0.00021 0.00004 -0.00018 212 4XZ -0.00210 -0.00269 0.00029 -0.00015 -0.00002 213 4YZ 0.00439 0.00115 0.00003 -0.00011 -0.00012 214 23 H 1S 0.02231 0.01052 0.00011 0.00096 -0.00257 215 2S 0.03400 0.01962 -0.00052 0.00135 -0.00282 141 142 143 144 145 141 4XY 0.00090 142 4XZ 0.00000 0.00065 143 4YZ -0.00028 0.00000 0.00093 144 14 H 1S 0.00001 0.00848 0.00000 0.21008 145 2S 0.00001 0.00741 0.00000 0.15713 0.14021 146 15 H 1S 0.00000 0.00082 0.00000 -0.02396 -0.04469 147 2S 0.00000 0.00022 0.00000 -0.04396 -0.04355 148 16 C 1S -0.00377 0.00243 0.00390 0.00917 0.01372 149 2S 0.00764 -0.00456 -0.00780 -0.02463 -0.03127 150 2PX -0.00483 0.00033 -0.00831 0.00057 -0.02442 151 2PY 0.00746 -0.00600 -0.00791 -0.01688 -0.03500 152 2PZ -0.00751 -0.00078 -0.00235 0.01761 0.02261 153 3S 0.00714 -0.00389 -0.00690 -0.02690 -0.02698 154 3PX -0.00444 0.00028 -0.00536 -0.00657 -0.01419 155 3PY 0.00167 -0.00200 -0.00273 -0.00455 -0.00819 156 3PZ -0.00585 -0.00009 -0.00203 0.00977 0.00744 157 4XX 0.00008 0.00050 0.00022 0.00754 0.00735 158 4YY -0.00035 -0.00019 0.00041 -0.00194 -0.00319 159 4ZZ -0.00015 0.00006 -0.00011 -0.00195 -0.00093 160 4XY 0.00017 0.00005 -0.00025 0.00360 0.00104 161 4XZ -0.00027 0.00009 0.00014 -0.00187 0.00047 162 4YZ -0.00018 0.00004 0.00005 0.00086 0.00200 163 17 H 1S -0.00168 0.00134 0.00180 -0.00537 -0.00175 164 2S -0.00441 0.00137 0.00304 -0.00065 0.00107 165 18 C 1S -0.00023 0.00046 0.00131 0.00093 -0.00010 166 2S 0.00005 -0.00103 -0.00276 -0.00318 -0.00104 167 2PX -0.00394 -0.00037 -0.00507 -0.03756 -0.02060 168 2PY 0.00089 0.00094 0.00045 0.00223 0.00163 169 2PZ -0.00212 0.00448 0.00416 -0.00625 -0.00298 170 3S 0.00429 0.00097 -0.00166 0.00201 0.00934 171 3PX -0.00284 0.00025 -0.00259 -0.02690 -0.01169 172 3PY 0.00263 0.00033 -0.00040 0.00004 -0.00113 173 3PZ -0.00260 0.00127 -0.00026 -0.00512 -0.00204 174 4XX -0.00013 0.00013 -0.00003 0.00095 0.00047 175 4YY -0.00024 0.00011 0.00039 -0.00008 0.00004 176 4ZZ 0.00039 -0.00030 -0.00018 -0.00144 -0.00164 177 4XY 0.00028 0.00000 0.00030 -0.00117 -0.00060 178 4XZ 0.00011 0.00014 0.00034 0.00091 0.00199 179 4YZ 0.00003 0.00018 -0.00018 0.00041 0.00107 180 19 H 1S 0.00011 0.00062 0.00160 -0.00114 -0.00296 181 2S 0.00117 -0.00023 0.00187 -0.00724 -0.01108 182 20 C 1S 0.00378 0.00243 -0.00390 0.00917 0.01373 183 2S -0.00765 -0.00456 0.00780 -0.02464 -0.03127 184 2PX 0.00482 0.00032 0.00832 0.00056 -0.02444 185 2PY 0.00746 0.00601 -0.00790 0.01687 0.03498 186 2PZ 0.00751 -0.00078 0.00234 0.01761 0.02262 187 3S -0.00715 -0.00390 0.00690 -0.02691 -0.02699 188 3PX 0.00443 0.00027 0.00536 -0.00657 -0.01419 189 3PY 0.00167 0.00200 -0.00272 0.00454 0.00818 190 3PZ 0.00585 -0.00009 0.00203 0.00977 0.00744 191 4XX -0.00008 0.00050 -0.00022 0.00754 0.00735 192 4YY 0.00035 -0.00019 -0.00041 -0.00194 -0.00319 193 4ZZ 0.00015 0.00006 0.00011 -0.00195 -0.00093 194 4XY 0.00017 -0.00005 -0.00025 -0.00359 -0.00103 195 4XZ 0.00027 0.00009 -0.00014 -0.00187 0.00047 196 4YZ -0.00018 -0.00004 0.00005 -0.00087 -0.00200 197 21 H 1S 0.00168 0.00134 -0.00180 -0.00538 -0.00175 198 2S 0.00440 0.00137 -0.00304 -0.00065 0.00107 199 22 C 1S 0.00023 0.00046 -0.00130 0.00093 -0.00010 200 2S -0.00005 -0.00103 0.00276 -0.00318 -0.00104 201 2PX 0.00393 -0.00038 0.00507 -0.03756 -0.02060 202 2PY 0.00089 -0.00094 0.00045 -0.00225 -0.00164 203 2PZ 0.00211 0.00449 -0.00416 -0.00625 -0.00298 204 3S -0.00429 0.00097 0.00166 0.00201 0.00933 205 3PX 0.00284 0.00025 0.00259 -0.02690 -0.01169 206 3PY 0.00263 -0.00033 -0.00040 -0.00006 0.00112 207 3PZ 0.00259 0.00127 0.00026 -0.00512 -0.00204 208 4XX 0.00013 0.00013 0.00003 0.00095 0.00047 209 4YY 0.00024 0.00011 -0.00039 -0.00008 0.00004 210 4ZZ -0.00039 -0.00030 0.00018 -0.00144 -0.00164 211 4XY 0.00028 0.00000 0.00030 0.00117 0.00060 212 4XZ -0.00011 0.00014 -0.00034 0.00091 0.00199 213 4YZ 0.00003 -0.00018 -0.00018 -0.00041 -0.00106 214 23 H 1S -0.00011 0.00063 -0.00160 -0.00114 -0.00297 215 2S -0.00117 -0.00023 -0.00187 -0.00724 -0.01108 146 147 148 149 150 146 15 H 1S 0.21453 147 2S 0.15997 0.14145 148 16 C 1S 0.00792 0.01097 2.05590 149 2S -0.01694 -0.02030 -0.06329 0.33144 150 2PX -0.01897 -0.01341 -0.00145 0.00655 0.31538 151 2PY -0.01545 -0.02756 0.00371 0.00249 0.00021 152 2PZ 0.02686 0.05862 -0.00187 0.00428 -0.03449 153 3S -0.03785 -0.04637 -0.20671 0.31134 -0.03955 154 3PX -0.00584 0.00094 0.00760 -0.00539 0.18698 155 3PY -0.01045 -0.01929 -0.01131 -0.00268 -0.01297 156 3PZ 0.01180 0.01928 0.00377 -0.01378 0.04062 157 4XX -0.00181 -0.00210 -0.01098 -0.01388 -0.00441 158 4YY -0.00247 -0.00361 -0.01913 0.00304 0.00585 159 4ZZ 0.00736 0.00790 -0.01373 -0.00741 -0.00152 160 4XY -0.00104 -0.00175 0.00043 -0.00062 0.00654 161 4XZ -0.00189 0.00066 0.00236 -0.00502 0.00329 162 4YZ -0.00255 0.00032 -0.00163 0.00338 -0.00232 163 17 H 1S -0.00896 -0.00739 -0.06319 0.11911 0.03752 164 2S -0.00672 -0.00711 -0.01549 0.02817 0.04015 165 18 C 1S -0.00814 -0.01159 0.01657 -0.03099 0.01756 166 2S 0.01957 0.02716 -0.03335 0.05696 -0.03339 167 2PX 0.02719 0.07062 -0.00873 0.02167 0.16730 168 2PY -0.00427 -0.00161 0.02729 -0.06162 0.02442 169 2PZ -0.01955 -0.02949 0.07318 -0.14671 0.12743 170 3S 0.03771 0.04766 0.01489 0.00960 -0.05457 171 3PX 0.02107 0.04779 0.00836 -0.00932 0.11300 172 3PY -0.00938 -0.00867 0.00690 -0.01092 0.00528 173 3PZ -0.01149 -0.01368 0.00324 -0.02791 0.06885 174 4XX -0.00112 -0.00126 0.00150 -0.00322 0.00562 175 4YY 0.00094 0.00096 0.00247 -0.00596 0.00241 176 4ZZ -0.00183 -0.00260 -0.00512 0.00943 -0.00454 177 4XY 0.00023 0.00147 0.00109 -0.00186 -0.00260 178 4XZ 0.00131 0.00077 0.00204 -0.00374 -0.00962 179 4YZ 0.00127 0.00198 -0.00382 0.00712 -0.00297 180 19 H 1S -0.00913 -0.01888 0.01287 -0.02707 0.01158 181 2S -0.01636 -0.02359 0.01728 -0.02976 0.02333 182 20 C 1S 0.00792 0.01097 -0.00488 0.00911 -0.00610 183 2S -0.01694 -0.02029 0.00911 -0.02480 0.01323 184 2PX -0.01898 -0.01343 -0.00609 0.01319 -0.10527 185 2PY 0.01544 0.02754 -0.01323 0.03585 0.00042 186 2PZ 0.02687 0.05863 0.00342 -0.00193 -0.03555 187 3S -0.03785 -0.04637 0.02222 -0.03424 0.02564 188 3PX -0.00584 0.00093 -0.00604 0.00915 -0.08736 189 3PY 0.01044 0.01929 -0.01036 0.01534 0.01739 190 3PZ 0.01180 0.01929 -0.00039 0.00557 -0.04921 191 4XX -0.00182 -0.00210 0.00056 -0.00212 -0.00047 192 4YY -0.00247 -0.00361 -0.00298 0.00643 0.00208 193 4ZZ 0.00736 0.00790 0.00081 -0.00217 -0.00169 194 4XY 0.00104 0.00175 -0.00010 0.00079 -0.00199 195 4XZ -0.00189 0.00066 -0.00029 0.00073 0.00095 196 4YZ 0.00254 -0.00032 -0.00040 0.00079 -0.00045 197 21 H 1S -0.00896 -0.00739 -0.00895 0.02099 0.00331 198 2S -0.00672 -0.00711 -0.01124 0.02905 -0.01433 199 22 C 1S -0.00814 -0.01159 -0.00485 0.01201 0.00081 200 2S 0.01957 0.02717 0.01143 -0.02722 -0.00377 201 2PX 0.02719 0.07062 0.00595 -0.00889 -0.00495 202 2PY 0.00430 0.00166 -0.01039 0.03223 -0.01251 203 2PZ -0.01955 -0.02949 -0.00933 0.02208 0.00809 204 3S 0.03771 0.04766 0.00620 -0.03283 0.02316 205 3PX 0.02106 0.04778 0.00048 -0.00090 -0.01543 206 3PY 0.00940 0.00870 -0.00307 0.01513 -0.01915 207 3PZ -0.01149 -0.01368 0.00260 0.00313 -0.01218 208 4XX -0.00112 -0.00126 -0.00010 0.00046 -0.00090 209 4YY 0.00094 0.00096 -0.00149 0.00321 -0.00140 210 4ZZ -0.00183 -0.00260 0.00006 0.00026 0.00172 211 4XY -0.00024 -0.00147 0.00020 -0.00046 -0.00839 212 4XZ 0.00131 0.00077 0.00037 -0.00097 0.00187 213 4YZ -0.00127 -0.00198 -0.00241 0.00511 -0.00475 214 23 H 1S -0.00913 -0.01888 -0.00897 0.02075 -0.00410 215 2S -0.01636 -0.02360 -0.01359 0.02909 0.00056 151 152 153 154 155 151 2PY 0.42636 152 2PZ 0.01290 0.40298 153 3S -0.02363 -0.00878 0.34778 154 3PX -0.01260 0.02040 -0.03015 0.12137 155 3PY 0.13326 0.00871 0.00643 -0.00859 0.05358 156 3PZ -0.00686 0.17278 -0.01841 0.04354 0.00228 157 4XX 0.00349 -0.00536 -0.01164 -0.00305 0.00109 158 4YY -0.01409 -0.01207 0.00568 0.00241 -0.00373 159 4ZZ 0.00580 0.01397 -0.00883 0.00081 0.00123 160 4XY 0.01016 -0.00270 -0.00286 0.00275 0.00209 161 4XZ -0.00318 0.00144 -0.00631 0.00242 -0.00207 162 4YZ -0.00916 0.00964 0.00459 -0.00011 -0.00199 163 17 H 1S -0.25552 -0.06627 0.13243 0.02077 -0.07892 164 2S -0.21193 -0.04175 0.04373 0.02534 -0.05812 165 18 C 1S -0.02188 -0.07270 -0.00805 0.00162 -0.00840 166 2S 0.03992 0.15468 0.03681 -0.00184 0.02300 167 2PX 0.00480 0.15031 -0.03762 0.11260 -0.02603 168 2PY -0.01296 -0.13046 -0.02114 0.00971 0.02050 169 2PZ -0.08646 -0.23910 -0.17112 0.05897 -0.04446 170 3S 0.06965 0.06869 -0.02743 -0.02339 0.01650 171 3PX -0.00678 0.06978 -0.05223 0.07430 -0.02246 172 3PY 0.02189 -0.08372 0.00131 -0.00448 0.01160 173 3PZ -0.03434 -0.03609 -0.03132 0.04118 -0.01118 174 4XX -0.00178 -0.00419 -0.00296 0.00291 -0.00116 175 4YY -0.01057 -0.00786 -0.00534 0.00115 -0.00307 176 4ZZ 0.00880 0.00062 0.00842 -0.00352 0.00213 177 4XY 0.00243 -0.00345 -0.00463 -0.00265 -0.00105 178 4XZ -0.00365 -0.00394 -0.00074 -0.00581 -0.00034 179 4YZ -0.00678 0.00781 0.01032 -0.00103 -0.00179 180 19 H 1S 0.00322 -0.04706 -0.05737 0.00235 -0.00891 181 2S 0.01820 -0.09168 -0.06038 0.00212 -0.00893 182 20 C 1S 0.01323 0.00342 0.02222 -0.00605 0.01036 183 2S -0.03584 -0.00193 -0.03424 0.00918 -0.01534 184 2PX -0.00049 -0.03556 0.02559 -0.08736 -0.01742 185 2PY 0.03906 -0.00361 0.05772 0.00769 0.01076 186 2PZ 0.00361 -0.04359 -0.07155 -0.03730 -0.03048 187 3S -0.05770 -0.07155 -0.02904 0.01719 -0.01193 188 3PX -0.00774 -0.03732 0.01716 -0.06745 -0.01290 189 3PY 0.01075 0.03047 0.01194 0.01288 -0.00363 190 3PZ 0.02649 -0.05373 -0.02179 -0.04347 -0.00754 191 4XX -0.00422 0.00314 -0.00082 0.00036 -0.00057 192 4YY 0.01251 -0.00425 0.00839 0.00066 0.00491 193 4ZZ -0.00449 0.00157 -0.00503 -0.00100 -0.00303 194 4XY 0.00088 -0.00053 0.00171 -0.00033 0.00109 195 4XZ 0.00216 -0.00124 -0.00103 0.00022 -0.00065 196 4YZ 0.00072 0.00037 0.00163 -0.00050 0.00024 197 21 H 1S 0.02900 -0.01433 0.04222 0.00518 0.01186 198 2S 0.05705 -0.03236 0.05015 -0.00967 0.02249 199 22 C 1S 0.01446 0.00751 0.01209 0.00083 0.00361 200 2S -0.03230 -0.02773 -0.03595 -0.00474 -0.01271 201 2PX -0.00549 -0.00855 -0.07508 -0.01891 -0.04422 202 2PY 0.02037 0.03871 0.00507 -0.01456 -0.02448 203 2PZ 0.02272 -0.00027 0.07329 0.00308 0.00982 204 3S -0.11012 0.05768 -0.03218 0.02434 -0.03481 205 3PX 0.00140 0.00571 -0.03714 -0.01856 -0.02622 206 3PY 0.03796 -0.00599 0.00012 -0.01733 -0.00098 207 3PZ 0.01495 -0.05753 0.01442 -0.01579 0.00073 208 4XX 0.00009 -0.00150 0.00074 -0.00101 -0.00046 209 4YY 0.00444 0.00452 0.00463 -0.00016 0.00253 210 4ZZ 0.00040 0.00096 -0.00041 0.00088 -0.00029 211 4XY -0.00070 -0.00645 0.00128 -0.00569 0.00060 212 4XZ -0.00094 0.00090 -0.00029 0.00226 0.00098 213 4YZ 0.00554 0.00782 0.00811 -0.00257 0.00283 214 23 H 1S 0.01551 0.02823 0.04451 -0.00256 0.00314 215 2S 0.02822 0.06260 0.05035 0.00331 0.00884 156 157 158 159 160 156 3PZ 0.09384 157 4XX -0.00264 0.00124 158 4YY -0.00336 -0.00036 0.00176 159 4ZZ 0.00524 0.00024 -0.00089 0.00137 160 4XY -0.00053 0.00019 -0.00023 0.00005 0.00058 161 4XZ 0.00146 0.00012 -0.00001 0.00019 0.00000 162 4YZ 0.00318 -0.00035 0.00020 0.00000 -0.00043 163 17 H 1S -0.02011 -0.00726 0.01364 -0.00887 -0.00565 164 2S -0.00186 -0.00432 0.01181 -0.00639 -0.00496 165 18 C 1S -0.01382 0.00228 0.00284 -0.00567 0.00077 166 2S 0.04138 -0.00497 -0.00623 0.01026 -0.00169 167 2PX 0.08808 -0.00575 -0.00309 0.00769 0.00297 168 2PY -0.05884 0.00165 0.00950 -0.00652 -0.00226 169 2PZ -0.08056 0.00688 0.00628 -0.00120 0.00354 170 3S -0.01123 0.00034 -0.00996 0.01086 0.00024 171 3PX 0.04682 -0.00239 -0.00190 0.00522 0.00201 172 3PY -0.04185 0.00158 0.00245 -0.00328 0.00033 173 3PZ 0.00108 0.00017 0.00254 0.00038 0.00088 174 4XX 0.00014 0.00020 0.00019 -0.00031 0.00017 175 4YY -0.00283 0.00009 0.00075 -0.00032 -0.00024 176 4ZZ -0.00085 -0.00018 -0.00037 -0.00002 0.00020 177 4XY -0.00320 0.00017 -0.00020 0.00025 0.00018 178 4XZ -0.00281 0.00036 0.00007 -0.00024 -0.00030 179 4YZ 0.00345 -0.00033 0.00002 -0.00014 -0.00027 180 19 H 1S -0.02465 0.00193 -0.00239 0.00408 0.00202 181 2S -0.04025 0.00267 -0.00061 0.00077 0.00290 182 20 C 1S -0.00040 0.00056 -0.00298 0.00081 0.00010 183 2S 0.00558 -0.00212 0.00643 -0.00217 -0.00079 184 2PX -0.04919 -0.00047 0.00209 -0.00169 0.00199 185 2PY -0.02650 0.00422 -0.01251 0.00449 0.00090 186 2PZ -0.05374 0.00314 -0.00425 0.00157 0.00054 187 3S -0.02179 -0.00082 0.00839 -0.00503 -0.00171 188 3PX -0.04347 0.00036 0.00066 -0.00100 0.00033 189 3PY 0.00752 0.00057 -0.00491 0.00303 0.00110 190 3PZ -0.04816 0.00235 -0.00254 0.00017 0.00106 191 4XX 0.00235 0.00036 -0.00017 0.00001 -0.00004 192 4YY -0.00254 -0.00017 -0.00011 -0.00018 0.00031 193 4ZZ 0.00017 0.00001 -0.00018 0.00039 -0.00013 194 4XY -0.00106 0.00004 -0.00031 0.00013 -0.00024 195 4XZ -0.00128 0.00010 -0.00031 0.00021 0.00012 196 4YZ 0.00196 -0.00011 0.00011 -0.00003 0.00011 197 21 H 1S -0.01864 0.00094 -0.00372 0.00075 0.00062 198 2S -0.03100 0.00138 -0.00413 0.00011 0.00083 199 22 C 1S 0.00513 0.00022 -0.00140 0.00018 0.00086 200 2S -0.01855 -0.00013 0.00345 -0.00031 -0.00200 201 2PX -0.03183 -0.00034 -0.00210 0.00512 0.00228 202 2PY 0.02741 0.00131 -0.00673 0.00100 0.00302 203 2PZ 0.01263 0.00033 -0.00311 0.00097 0.00235 204 3S 0.03727 -0.00176 0.00374 0.00141 -0.00357 205 3PX -0.01549 -0.00005 -0.00266 0.00406 0.00134 206 3PY -0.00780 0.00141 -0.00410 0.00098 0.00155 207 3PZ -0.02868 0.00132 -0.00012 -0.00102 0.00118 208 4XX -0.00080 0.00011 -0.00010 -0.00008 0.00013 209 4YY 0.00062 -0.00013 -0.00042 0.00036 -0.00002 210 4ZZ 0.00226 -0.00011 0.00020 -0.00020 0.00007 211 4XY -0.00473 0.00023 0.00009 -0.00027 -0.00016 212 4XZ 0.00113 0.00011 -0.00014 0.00010 -0.00014 213 4YZ 0.00379 -0.00029 -0.00009 -0.00009 -0.00003 214 23 H 1S 0.02618 -0.00034 -0.00194 -0.00019 0.00097 215 2S 0.04212 -0.00162 -0.00216 0.00042 0.00124 161 162 163 164 165 161 4XZ 0.00073 162 4YZ 0.00007 0.00098 163 17 H 1S -0.00009 0.00598 0.21366 164 2S 0.00057 0.00524 0.15464 0.13511 165 18 C 1S 0.00187 -0.00340 0.01213 0.01191 2.05355 166 2S -0.00351 0.00685 -0.02455 -0.02093 -0.06412 167 2PX 0.01148 0.00394 -0.00532 -0.01104 -0.00138 168 2PY 0.00104 0.00835 0.03113 0.05959 0.00025 169 2PZ 0.00422 -0.00921 0.03317 0.04478 -0.00207 170 3S -0.00253 0.00257 -0.06097 -0.06040 -0.16688 171 3PX 0.00821 0.00115 -0.00426 -0.00530 0.00107 172 3PY -0.00037 0.00115 0.00120 0.00470 0.00347 173 3PZ 0.00233 -0.00149 0.02121 0.02507 -0.00652 174 4XX 0.00022 -0.00030 0.00072 0.00094 -0.01193 175 4YY 0.00011 0.00026 0.00617 0.00690 -0.01738 176 4ZZ -0.00028 -0.00047 -0.00299 -0.00534 -0.01814 177 4XY 0.00028 -0.00020 -0.00252 -0.00298 -0.00124 178 4XZ 0.00001 0.00011 0.00064 0.00102 0.00282 179 4YZ 0.00021 0.00055 0.00543 0.00283 0.00254 180 19 H 1S -0.00209 -0.00622 -0.01575 -0.01677 -0.06265 181 2S -0.00130 -0.00747 -0.01721 -0.01946 -0.01329 182 20 C 1S -0.00029 0.00040 -0.00895 -0.01124 -0.00485 183 2S 0.00073 -0.00078 0.02099 0.02905 0.01201 184 2PX 0.00095 0.00046 0.00334 -0.01429 0.00082 185 2PY -0.00216 0.00072 -0.02899 -0.05705 -0.01446 186 2PZ -0.00124 -0.00037 -0.01433 -0.03237 0.00750 187 3S -0.00102 -0.00162 0.04223 0.05015 0.01209 188 3PX 0.00022 0.00050 0.00520 -0.00965 0.00083 189 3PY 0.00065 0.00024 -0.01185 -0.02248 -0.00361 190 3PZ -0.00128 -0.00196 -0.01864 -0.03101 0.00513 191 4XX 0.00010 0.00011 0.00094 0.00138 0.00022 192 4YY -0.00031 -0.00011 -0.00372 -0.00413 -0.00140 193 4ZZ 0.00021 0.00003 0.00075 0.00011 0.00018 194 4XY -0.00012 0.00011 -0.00062 -0.00082 -0.00085 195 4XZ 0.00048 -0.00002 -0.00144 -0.00250 -0.00012 196 4YZ 0.00002 -0.00050 -0.00040 -0.00044 0.00215 197 21 H 1S -0.00144 0.00040 -0.01145 -0.02282 -0.00879 198 2S -0.00250 0.00044 -0.02282 -0.03280 -0.01198 199 22 C 1S -0.00012 -0.00215 -0.00879 -0.01198 0.01683 200 2S -0.00007 0.00429 0.01970 0.02544 -0.03329 201 2PX 0.00919 0.00079 -0.00913 -0.02884 -0.00202 202 2PY 0.00050 -0.01003 -0.03143 -0.06051 0.07815 203 2PZ 0.00338 -0.00170 -0.00870 -0.02241 -0.00470 204 3S 0.00297 0.00647 0.05355 0.05854 -0.00217 205 3PX 0.00639 0.00031 -0.01132 -0.02584 -0.00268 206 3PY -0.00062 -0.00395 -0.02845 -0.04016 0.01170 207 3PZ 0.00150 -0.00164 -0.00297 -0.01150 0.00023 208 4XX 0.00004 -0.00024 -0.00023 -0.00100 0.00213 209 4YY -0.00020 0.00035 -0.00203 -0.00197 -0.00701 210 4ZZ 0.00004 -0.00043 -0.00023 -0.00006 0.00325 211 4XY -0.00047 -0.00007 0.00051 0.00037 -0.00002 212 4XZ -0.00005 0.00008 0.00020 0.00097 -0.00054 213 4YZ -0.00012 0.00017 -0.00222 -0.00211 0.00025 214 23 H 1S 0.00023 -0.00235 -0.01000 -0.01895 0.01278 215 2S 0.00041 -0.00212 -0.01718 -0.02273 0.01418 166 167 168 169 170 166 2S 0.33134 167 2PX 0.00479 0.34559 168 2PY 0.00331 -0.00296 0.41954 169 2PZ -0.00493 -0.03448 -0.00856 0.40627 170 3S 0.25603 -0.01048 -0.00888 0.05249 0.27305 171 3PX -0.00298 0.21780 -0.00996 0.02363 -0.00206 172 3PY -0.01855 -0.01863 0.13629 0.00933 -0.00011 173 3PZ 0.02690 0.02984 -0.00159 0.11707 0.01518 174 4XX -0.01398 0.00288 -0.00191 0.00174 -0.01043 175 4YY -0.00239 -0.00199 0.01285 0.00773 -0.00158 176 4ZZ -0.00116 -0.00398 -0.01516 -0.00416 0.00069 177 4XY 0.00219 0.00355 -0.00286 0.00719 0.00612 178 4XZ -0.00611 -0.00578 0.00646 -0.00379 -0.00392 179 4YZ -0.00474 0.00782 0.00405 -0.01408 -0.00748 180 19 H 1S 0.11706 -0.07939 -0.15429 0.20129 0.13195 181 2S 0.02370 -0.07029 -0.12885 0.17552 0.05962 182 20 C 1S 0.01143 0.00594 0.01039 -0.00933 0.00620 183 2S -0.02722 -0.00887 -0.03224 0.02208 -0.03282 184 2PX -0.00379 -0.00496 0.01250 0.00811 0.02308 185 2PY 0.03231 0.00547 0.02039 -0.02271 0.11013 186 2PZ -0.02773 -0.00854 -0.03872 -0.00028 0.05771 187 3S -0.03595 -0.07506 -0.00513 0.07328 -0.03218 188 3PX -0.00475 -0.01895 0.01455 0.00309 0.02431 189 3PY 0.01271 0.04424 -0.02442 -0.00982 0.03482 190 3PZ -0.01855 -0.03181 -0.02744 0.01262 0.03728 191 4XX -0.00014 -0.00033 -0.00131 0.00033 -0.00176 192 4YY 0.00345 -0.00211 0.00673 -0.00311 0.00375 193 4ZZ -0.00031 0.00512 -0.00100 0.00097 0.00141 194 4XY 0.00199 -0.00228 0.00301 -0.00235 0.00356 195 4XZ -0.00006 0.00919 -0.00048 0.00338 0.00297 196 4YZ -0.00428 -0.00078 -0.01003 0.00170 -0.00647 197 21 H 1S 0.01970 -0.00916 0.03142 -0.00870 0.05356 198 2S 0.02544 -0.02889 0.06049 -0.02241 0.05855 199 22 C 1S -0.03329 -0.00197 -0.07815 -0.00471 -0.00217 200 2S 0.05779 -0.00385 0.16106 0.01445 0.03532 201 2PX -0.00376 0.19923 -0.00847 0.05886 0.06927 202 2PY -0.16107 0.00878 -0.31832 -0.02245 -0.12014 203 2PZ 0.01442 0.05884 0.02243 0.03989 -0.01786 204 3S 0.03532 0.06921 0.12020 -0.01783 -0.01993 205 3PX 0.00241 0.13633 -0.01425 0.03197 0.04537 206 3PY -0.04008 -0.00858 -0.09528 -0.00470 -0.00927 207 3PZ -0.00886 0.00623 0.03053 0.04612 0.00379 208 4XX -0.00488 -0.00026 -0.00678 0.00114 -0.00238 209 4YY 0.01258 0.00018 0.00646 -0.00270 0.01062 210 4ZZ -0.00751 -0.00097 -0.01183 -0.00012 -0.00906 211 4XY 0.00004 -0.01358 0.00083 0.00038 0.00252 212 4XZ 0.00151 -0.00078 0.00182 -0.00038 0.00130 213 4YZ -0.00001 0.00001 0.00126 -0.01309 -0.00595 214 23 H 1S -0.02602 0.00338 -0.04438 -0.01973 -0.06124 215 2S -0.02437 0.01945 -0.07835 -0.04378 -0.06426 171 172 173 174 175 171 3PX 0.14491 172 3PY -0.01388 0.05521 173 3PZ 0.03059 -0.00519 0.05201 174 4XX 0.00211 0.00000 0.00010 0.00081 175 4YY -0.00035 0.00349 0.00162 0.00014 0.00114 176 4ZZ -0.00282 -0.00373 -0.00182 0.00013 -0.00058 177 4XY 0.00320 0.00001 0.00114 -0.00014 -0.00004 178 4XZ -0.00371 0.00240 -0.00265 0.00009 0.00022 179 4YZ 0.00314 0.00042 -0.00266 0.00021 -0.00011 180 19 H 1S -0.02734 -0.04525 0.05712 -0.00407 -0.00137 181 2S -0.02335 -0.02892 0.03768 -0.00068 -0.00079 182 20 C 1S 0.00048 0.00307 0.00260 -0.00010 -0.00149 183 2S -0.00088 -0.01513 0.00313 0.00046 0.00321 184 2PX -0.01544 0.01912 -0.01217 -0.00091 -0.00139 185 2PY -0.00143 0.03797 -0.01494 -0.00009 -0.00444 186 2PZ 0.00571 0.00602 -0.05754 -0.00151 0.00453 187 3S -0.03713 -0.00015 0.01443 0.00074 0.00463 188 3PX -0.01859 0.01732 -0.01578 -0.00101 -0.00015 189 3PY 0.02621 -0.00095 -0.00074 0.00046 -0.00253 190 3PZ -0.01549 0.00780 -0.02868 -0.00080 0.00063 191 4XX -0.00005 -0.00141 0.00132 0.00011 -0.00013 192 4YY -0.00266 0.00410 -0.00012 -0.00010 -0.00042 193 4ZZ 0.00406 -0.00098 -0.00102 -0.00008 0.00036 194 4XY -0.00134 0.00155 -0.00118 -0.00013 0.00002 195 4XZ 0.00639 0.00063 0.00149 0.00004 -0.00020 196 4YZ -0.00031 -0.00394 0.00164 0.00024 -0.00035 197 21 H 1S -0.01135 0.02844 -0.00297 -0.00023 -0.00203 198 2S -0.02588 0.04014 -0.01150 -0.00100 -0.00197 199 22 C 1S -0.00268 -0.01171 0.00023 0.00213 -0.00701 200 2S 0.00239 0.04009 -0.00886 -0.00488 0.01258 201 2PX 0.13632 0.00872 0.00626 -0.00028 0.00020 202 2PY 0.01439 -0.09525 -0.03056 0.00678 -0.00646 203 2PZ 0.03196 0.00469 0.04612 0.00114 -0.00270 204 3S 0.04537 0.00930 0.00380 -0.00238 0.01061 205 3PX 0.09276 0.00144 0.00696 -0.00029 -0.00079 206 3PY -0.00137 -0.02146 -0.01712 0.00123 -0.00208 207 3PZ 0.00694 0.01711 0.01442 0.00013 0.00074 208 4XX -0.00028 -0.00123 0.00013 0.00029 -0.00045 209 4YY -0.00080 0.00208 0.00074 -0.00045 -0.00018 210 4ZZ -0.00010 -0.00446 -0.00004 0.00031 -0.00012 211 4XY -0.00868 0.00153 -0.00219 -0.00015 0.00004 212 4XZ -0.00024 0.00032 0.00081 0.00001 -0.00011 213 4YZ -0.00180 -0.00087 -0.00261 -0.00005 -0.00019 214 23 H 1S -0.00042 -0.02322 0.00247 0.00108 0.00058 215 2S 0.00527 -0.03486 0.00208 0.00174 -0.00295 176 177 178 179 180 176 4ZZ 0.00117 177 4XY 0.00013 0.00072 178 4XZ -0.00020 -0.00007 0.00063 179 4YZ -0.00016 -0.00034 0.00032 0.00146 180 19 H 1S 0.00482 0.00525 -0.00571 -0.01296 0.21460 181 2S 0.00468 0.00483 -0.00392 -0.01150 0.16043 182 20 C 1S 0.00007 -0.00020 0.00036 0.00241 -0.00897 183 2S 0.00026 0.00046 -0.00096 -0.00511 0.02075 184 2PX 0.00172 0.00839 0.00187 0.00474 -0.00409 185 2PY -0.00040 -0.00069 0.00093 0.00554 -0.01552 186 2PZ 0.00095 0.00644 0.00091 -0.00782 0.02822 187 3S -0.00041 -0.00128 -0.00028 -0.00811 0.04450 188 3PX 0.00088 0.00569 0.00226 0.00257 -0.00255 189 3PY 0.00029 0.00061 -0.00098 0.00283 -0.00315 190 3PZ 0.00226 0.00473 0.00113 -0.00379 0.02618 191 4XX -0.00011 -0.00023 0.00011 0.00029 -0.00034 192 4YY 0.00020 -0.00009 -0.00014 0.00009 -0.00194 193 4ZZ -0.00020 0.00027 0.00010 0.00009 -0.00019 194 4XY -0.00007 -0.00016 0.00014 -0.00003 -0.00096 195 4XZ 0.00004 0.00047 -0.00005 0.00012 0.00023 196 4YZ 0.00043 -0.00007 -0.00008 0.00017 0.00235 197 21 H 1S -0.00023 -0.00051 0.00019 0.00222 -0.01000 198 2S -0.00005 -0.00037 0.00097 0.00211 -0.01895 199 22 C 1S 0.00325 0.00002 -0.00054 -0.00026 0.01278 200 2S -0.00751 -0.00005 0.00151 0.00001 -0.02602 201 2PX -0.00098 0.01358 -0.00078 -0.00001 0.00335 202 2PY 0.01183 0.00085 -0.00182 0.00126 0.04439 203 2PZ -0.00011 -0.00038 -0.00038 0.01309 -0.01972 204 3S -0.00906 -0.00253 0.00130 0.00596 -0.06124 205 3PX -0.00010 0.00868 -0.00024 0.00179 -0.00044 206 3PY 0.00446 0.00154 -0.00032 -0.00087 0.02322 207 3PZ -0.00004 0.00219 0.00081 0.00261 0.00247 208 4XX 0.00031 0.00015 0.00001 0.00006 0.00108 209 4YY -0.00012 -0.00004 -0.00011 0.00019 0.00059 210 4ZZ 0.00047 -0.00015 -0.00014 -0.00020 0.00191 211 4XY 0.00015 0.00001 0.00029 -0.00039 0.00279 212 4XZ -0.00014 -0.00029 0.00005 -0.00011 -0.00032 213 4YZ 0.00020 -0.00039 0.00010 0.00085 -0.00742 214 23 H 1S 0.00191 -0.00279 -0.00033 0.00742 -0.01557 215 2S 0.00346 -0.00276 -0.00127 0.00699 -0.01615 181 182 183 184 185 181 2S 0.14179 182 20 C 1S -0.01359 2.05590 183 2S 0.02908 -0.06329 0.33143 184 2PX 0.00058 -0.00144 0.00655 0.31539 185 2PY -0.02824 -0.00371 -0.00249 -0.00026 0.42636 186 2PZ 0.06260 -0.00188 0.00428 -0.03448 -0.01291 187 3S 0.05035 -0.20672 0.31134 -0.03956 0.02360 188 3PX 0.00332 0.00760 -0.00540 0.18696 0.01261 189 3PY -0.00884 0.01132 0.00267 0.01298 0.13327 190 3PZ 0.04212 0.00377 -0.01379 0.04062 0.00687 191 4XX -0.00162 -0.01098 -0.01388 -0.00440 -0.00350 192 4YY -0.00216 -0.01913 0.00304 0.00584 0.01411 193 4ZZ 0.00042 -0.01373 -0.00742 -0.00152 -0.00581 194 4XY -0.00124 -0.00043 0.00062 -0.00655 0.01015 195 4XZ 0.00041 0.00236 -0.00502 0.00329 0.00318 196 4YZ 0.00212 0.00163 -0.00338 0.00233 -0.00915 197 21 H 1S -0.01718 -0.06319 0.11911 0.03741 0.25555 198 2S -0.02273 -0.01549 0.02817 0.04005 0.21198 199 22 C 1S 0.01418 0.01657 -0.03100 0.01755 0.02191 200 2S -0.02437 -0.03335 0.05697 -0.03336 -0.03998 201 2PX 0.01940 -0.00870 0.02162 0.16732 -0.00474 202 2PY 0.07838 -0.02731 0.06166 -0.02432 -0.01302 203 2PZ -0.04377 0.07318 -0.14671 0.12735 0.08658 204 3S -0.06426 0.01490 0.00960 -0.05454 -0.06970 205 3PX 0.00525 0.00837 -0.00933 0.11299 0.00680 206 3PY 0.03486 -0.00690 0.01092 -0.00524 0.02187 207 3PZ 0.00209 0.00324 -0.02791 0.06883 0.03439 208 4XX 0.00173 0.00151 -0.00323 0.00562 0.00178 209 4YY -0.00294 0.00247 -0.00595 0.00241 0.01058 210 4ZZ 0.00345 -0.00512 0.00943 -0.00454 -0.00880 211 4XY 0.00276 -0.00109 0.00186 0.00260 0.00242 212 4XZ -0.00127 0.00204 -0.00373 -0.00962 0.00365 213 4YZ -0.00699 0.00382 -0.00713 0.00297 -0.00677 214 23 H 1S -0.01615 0.01288 -0.02707 0.01158 -0.00320 215 2S -0.01856 0.01728 -0.02976 0.02333 -0.01817 186 187 188 189 190 186 2PZ 0.40298 187 3S -0.00879 0.34779 188 3PX 0.02042 -0.03015 0.12136 189 3PY -0.00871 -0.00645 0.00861 0.05359 190 3PZ 0.17278 -0.01842 0.04354 -0.00227 0.09384 191 4XX -0.00536 -0.01164 -0.00305 -0.00110 -0.00264 192 4YY -0.01206 0.00568 0.00241 0.00374 -0.00336 193 4ZZ 0.01397 -0.00883 0.00081 -0.00123 0.00524 194 4XY 0.00270 0.00286 -0.00276 0.00209 0.00053 195 4XZ 0.00145 -0.00630 0.00242 0.00207 0.00147 196 4YZ -0.00965 -0.00458 0.00011 -0.00199 -0.00318 197 21 H 1S -0.06620 0.13243 0.02073 0.07893 -0.02008 198 2S -0.04170 0.04374 0.02531 0.05814 -0.00184 199 22 C 1S -0.07270 -0.00805 0.00162 0.00840 -0.01382 200 2S 0.15469 0.03681 -0.00182 -0.02301 0.04138 201 2PX 0.15022 -0.03765 0.11260 0.02606 0.08805 202 2PY 0.13060 0.02115 -0.00965 0.02048 0.05892 203 2PZ -0.23907 -0.17111 0.05893 0.04451 -0.08054 204 3S 0.06868 -0.02744 -0.02338 -0.01650 -0.01123 205 3PX 0.06973 -0.05224 0.07428 0.02247 0.04680 206 3PY 0.08378 -0.00134 0.00451 0.01160 0.04188 207 3PZ -0.03606 -0.03131 0.04118 0.01120 0.00110 208 4XX -0.00419 -0.00297 0.00291 0.00116 0.00013 209 4YY -0.00785 -0.00533 0.00115 0.00307 -0.00282 210 4ZZ 0.00061 0.00842 -0.00352 -0.00214 -0.00086 211 4XY 0.00345 0.00463 0.00266 -0.00105 0.00320 212 4XZ -0.00393 -0.00073 -0.00581 0.00033 -0.00281 213 4YZ -0.00781 -0.01033 0.00103 -0.00178 -0.00345 214 23 H 1S -0.04706 -0.05737 0.00234 0.00891 -0.02464 215 2S -0.09168 -0.06038 0.00211 0.00893 -0.04025 191 192 193 194 195 191 4XX 0.00124 192 4YY -0.00036 0.00176 193 4ZZ 0.00024 -0.00089 0.00137 194 4XY -0.00019 0.00023 -0.00005 0.00058 195 4XZ 0.00012 0.00000 0.00019 0.00000 0.00073 196 4YZ 0.00035 -0.00020 0.00000 -0.00043 -0.00007 197 21 H 1S -0.00726 0.01364 -0.00887 0.00564 -0.00008 198 2S -0.00433 0.01181 -0.00640 0.00496 0.00057 199 22 C 1S 0.00228 0.00284 -0.00567 -0.00077 0.00186 200 2S -0.00497 -0.00623 0.01025 0.00169 -0.00351 201 2PX -0.00574 -0.00309 0.00768 -0.00297 0.01149 202 2PY -0.00165 -0.00951 0.00653 -0.00226 -0.00104 203 2PZ 0.00688 0.00627 -0.00120 -0.00354 0.00421 204 3S 0.00034 -0.00996 0.01086 -0.00024 -0.00253 205 3PX -0.00239 -0.00190 0.00521 -0.00202 0.00821 206 3PY -0.00159 -0.00245 0.00328 0.00033 0.00037 207 3PZ 0.00017 0.00254 0.00038 -0.00088 0.00233 208 4XX 0.00020 0.00019 -0.00031 -0.00017 0.00022 209 4YY 0.00008 0.00075 -0.00032 0.00024 0.00011 210 4ZZ -0.00018 -0.00037 -0.00002 -0.00020 -0.00028 211 4XY -0.00017 0.00020 -0.00025 0.00018 -0.00027 212 4XZ 0.00036 0.00007 -0.00024 0.00030 0.00001 213 4YZ 0.00033 -0.00002 0.00014 -0.00027 -0.00021 214 23 H 1S 0.00193 -0.00239 0.00408 -0.00201 -0.00209 215 2S 0.00267 -0.00062 0.00077 -0.00290 -0.00131 196 197 198 199 200 196 4YZ 0.00098 197 21 H 1S -0.00597 0.21366 198 2S -0.00523 0.15465 0.13512 199 22 C 1S 0.00341 0.01213 0.01192 2.05355 200 2S -0.00686 -0.02455 -0.02093 -0.06412 0.33134 201 2PX -0.00394 -0.00530 -0.01101 -0.00138 0.00479 202 2PY 0.00834 -0.03114 -0.05960 -0.00025 -0.00330 203 2PZ 0.00922 0.03316 0.04477 -0.00207 -0.00494 204 3S -0.00258 -0.06098 -0.06040 -0.16688 0.25603 205 3PX -0.00115 -0.00426 -0.00531 0.00107 -0.00299 206 3PY 0.00115 -0.00121 -0.00471 -0.00347 0.01855 207 3PZ 0.00150 0.02121 0.02507 -0.00653 0.02690 208 4XX 0.00030 0.00072 0.00094 -0.01193 -0.01397 209 4YY -0.00026 0.00617 0.00691 -0.01738 -0.00239 210 4ZZ 0.00047 -0.00299 -0.00534 -0.01815 -0.00115 211 4XY -0.00020 0.00251 0.00298 0.00125 -0.00220 212 4XZ -0.00011 0.00064 0.00103 0.00283 -0.00611 213 4YZ 0.00055 -0.00543 -0.00282 -0.00254 0.00474 214 23 H 1S 0.00621 -0.01576 -0.01677 -0.06265 0.11706 215 2S 0.00747 -0.01722 -0.01946 -0.01329 0.02370 201 202 203 204 205 201 2PX 0.34558 202 2PY 0.00293 0.41954 203 2PZ -0.03449 0.00854 0.40628 204 3S -0.01048 0.00884 0.05250 0.27304 205 3PX 0.21778 0.01001 0.02363 -0.00206 0.14489 206 3PY 0.01867 0.13632 -0.00932 0.00011 0.01393 207 3PZ 0.02984 0.00162 0.11706 0.01518 0.03059 208 4XX 0.00288 0.00192 0.00175 -0.01043 0.00211 209 4YY -0.00199 -0.01286 0.00772 -0.00158 -0.00035 210 4ZZ -0.00399 0.01516 -0.00415 0.00069 -0.00283 211 4XY -0.00354 -0.00285 -0.00720 -0.00613 -0.00320 212 4XZ -0.00577 -0.00646 -0.00380 -0.00393 -0.00371 213 4YZ -0.00782 0.00404 0.01409 0.00748 -0.00314 214 23 H 1S -0.07948 0.15420 0.20132 0.13194 -0.02736 215 2S -0.07037 0.12877 0.17555 0.05961 -0.02337 206 207 208 209 210 206 3PY 0.05524 207 3PZ 0.00522 0.05201 208 4XX 0.00000 0.00010 0.00081 209 4YY -0.00349 0.00161 0.00014 0.00114 210 4ZZ 0.00373 -0.00181 0.00013 -0.00058 0.00117 211 4XY 0.00001 -0.00114 0.00014 0.00004 -0.00013 212 4XZ -0.00240 -0.00265 0.00009 0.00022 -0.00020 213 4YZ 0.00041 0.00266 -0.00021 0.00011 0.00016 214 23 H 1S 0.04523 0.05713 -0.00406 -0.00138 0.00482 215 2S 0.02890 0.03768 -0.00067 -0.00079 0.00468 211 212 213 214 215 211 4XY 0.00072 212 4XZ 0.00007 0.00063 213 4YZ -0.00034 -0.00032 0.00146 214 23 H 1S -0.00525 -0.00572 0.01295 0.21460 215 2S -0.00483 -0.00393 0.01150 0.16043 0.14180 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05475 2 2S -0.01447 0.33271 3 2PX 0.00000 0.00000 0.36085 4 2PY 0.00000 0.00000 0.00000 0.44126 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.37300 6 3S -0.03653 0.25913 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10876 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.06837 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.10538 10 4XX -0.00118 -0.00616 0.00000 0.00000 0.00000 11 4YY -0.00144 -0.00041 0.00000 0.00000 0.00000 12 4ZZ -0.00126 -0.00467 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00028 -0.00050 -0.00046 -0.00073 17 2S -0.00026 0.00716 0.00950 0.00909 0.01367 18 2PX -0.00049 0.00885 0.00117 0.00881 0.01916 19 2PY -0.00043 0.00703 0.00852 0.00174 0.01407 20 2PZ -0.00073 0.01361 0.01985 0.01421 0.00750 21 3S 0.00008 0.00629 0.00958 0.00840 0.01502 22 3PX 0.00026 -0.00061 0.00159 0.00158 0.00299 23 3PY -0.00016 0.00444 0.00363 0.00201 0.00641 24 3PZ 0.00020 0.00121 0.00433 0.00187 0.00008 25 4XX 0.00000 -0.00002 -0.00035 0.00019 0.00008 26 4YY 0.00001 -0.00023 -0.00010 -0.00042 -0.00019 27 4ZZ -0.00003 0.00060 0.00073 0.00095 -0.00054 28 4XY -0.00006 0.00101 0.00013 0.00020 0.00179 29 4XZ -0.00005 0.00074 -0.00007 0.00076 0.00015 30 4YZ -0.00008 0.00129 0.00161 0.00021 0.00059 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00007 -0.00014 0.00000 -0.00015 33 2PX 0.00000 -0.00016 -0.00015 0.00000 -0.00036 34 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 35 2PZ 0.00000 -0.00014 -0.00029 0.00000 -0.00020 36 3S 0.00013 -0.00287 -0.00384 -0.00003 -0.00384 37 3PX 0.00012 -0.00238 -0.00151 -0.00001 -0.00359 38 3PY 0.00000 0.00001 0.00004 -0.00041 0.00004 39 3PZ 0.00009 -0.00163 -0.00210 -0.00001 -0.00144 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00001 0.00003 0.00000 0.00001 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00002 0.00000 0.00002 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 48 2PX 0.00000 -0.00001 0.00001 -0.00001 -0.00003 49 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 50 2PZ 0.00000 0.00000 -0.00002 -0.00001 0.00001 51 3S 0.00000 0.00019 -0.00004 -0.00013 -0.00004 52 3PX 0.00002 -0.00041 0.00024 -0.00019 -0.00056 53 3PY 0.00000 0.00002 0.00019 -0.00009 -0.00015 54 3PZ 0.00001 -0.00002 -0.00003 -0.00022 0.00022 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00006 -0.00002 -0.00025 -0.00003 63 2PX 0.00000 -0.00004 -0.00001 -0.00009 0.00001 64 2PY 0.00000 -0.00016 -0.00006 -0.00044 -0.00003 65 2PZ 0.00000 -0.00006 0.00001 -0.00018 -0.00003 66 3S 0.00001 -0.00076 -0.00082 -0.00264 -0.00074 67 3PX 0.00002 -0.00036 0.00020 -0.00051 -0.00032 68 3PY -0.00015 0.00164 -0.00036 0.00265 -0.00009 69 3PZ 0.00000 -0.00018 -0.00029 -0.00039 0.00006 70 4XX 0.00000 0.00000 0.00000 -0.00001 0.00001 71 4YY 0.00000 0.00002 0.00000 0.00009 0.00001 72 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 73 4XY 0.00000 0.00000 -0.00001 0.00001 0.00002 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00002 0.00001 -0.00001 76 6 C 1S 0.00000 -0.00076 0.00000 -0.00366 0.00000 77 2S -0.00076 0.01418 0.00000 0.04863 0.00000 78 2PX 0.00000 0.00000 0.02111 0.00000 0.00000 79 2PY -0.00366 0.04863 0.00000 0.10806 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.01698 81 3S 0.00141 -0.00485 0.00000 0.03376 0.00000 82 3PX 0.00000 0.00000 0.02884 0.00000 0.00000 83 3PY -0.00039 0.01071 0.00000 0.01596 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.02320 85 4XX 0.00000 -0.00055 0.00000 -0.00136 0.00000 86 4YY -0.00031 0.00347 0.00000 0.00224 0.00000 87 4ZZ 0.00000 -0.00059 0.00000 -0.00143 0.00000 88 4XY 0.00000 0.00000 0.00253 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00257 91 7 H 1S -0.00203 0.03238 0.03256 0.02847 0.03885 92 2S -0.00099 0.01091 0.02043 0.01520 0.02409 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00012 0.00021 0.00003 0.00020 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 -0.00001 0.00001 0.00000 -0.00002 97 10 H 1S 0.00000 -0.00021 -0.00005 -0.00064 -0.00008 98 2S 0.00021 -0.00302 -0.00085 -0.00723 -0.00121 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00002 0.00000 -0.00006 -0.00002 101 2PX 0.00000 -0.00002 0.00000 -0.00006 -0.00003 102 2PY 0.00000 -0.00004 -0.00003 -0.00016 -0.00008 103 2PZ 0.00000 -0.00005 -0.00004 -0.00015 -0.00002 104 3S 0.00000 -0.00005 0.00017 -0.00222 0.00014 105 3PX 0.00003 -0.00084 0.00011 -0.00123 -0.00081 106 3PY 0.00004 -0.00084 -0.00020 -0.00276 -0.00100 107 3PZ 0.00006 -0.00155 -0.00080 -0.00300 -0.00021 108 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 109 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00001 0.00000 0.00003 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00001 -0.00001 121 3PY 0.00000 0.00002 0.00001 0.00007 0.00000 122 3PZ 0.00000 0.00001 -0.00001 0.00002 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00001 -0.00006 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00019 0.00000 0.00004 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 -0.00001 0.00009 0.00000 0.00000 171 3PX 0.00000 -0.00016 0.00017 0.00000 0.00004 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00007 0.00000 -0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00001 0.00003 0.00000 0.00003 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 188 3PX 0.00000 0.00000 -0.00007 0.00000 0.00001 189 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00001 -0.00001 0.00000 205 3PX 0.00000 -0.00006 0.00000 -0.00001 0.00001 206 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00001 0.00000 -0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.46610 7 3PX 0.00000 0.11495 8 3PY 0.00000 0.00000 0.06208 9 3PZ 0.00000 0.00000 0.00000 0.10581 10 4XX -0.00366 0.00000 0.00000 0.00000 0.00068 11 4YY -0.00280 0.00000 0.00000 0.00000 -0.00004 12 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00014 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00113 0.00035 -0.00108 0.00024 -0.00001 17 2S -0.00317 0.00128 0.00732 0.00296 0.00014 18 2PX 0.01366 -0.00115 0.00670 0.01049 -0.00024 19 2PY 0.01452 0.00654 0.00179 0.01010 0.00012 20 2PZ 0.01730 0.01085 0.01039 -0.00073 0.00012 21 3S -0.00860 0.00232 0.00501 0.00612 0.00030 22 3PX -0.00054 0.00276 0.00051 0.00292 -0.00029 23 3PY -0.00371 0.00018 0.00063 0.00181 -0.00027 24 3PZ -0.00732 0.00236 0.00281 0.00150 0.00048 25 4XX 0.00036 -0.00060 -0.00020 0.00099 0.00000 26 4YY -0.00105 -0.00025 -0.00026 -0.00029 -0.00002 27 4ZZ 0.00290 0.00159 0.00007 -0.00044 0.00001 28 4XY 0.00108 -0.00003 -0.00001 0.00049 -0.00001 29 4XZ 0.00032 0.00004 0.00009 0.00000 0.00000 30 4YZ 0.00148 0.00047 0.00000 -0.00001 -0.00005 31 3 C 1S 0.00010 0.00007 0.00000 0.00006 0.00000 32 2S -0.00259 -0.00159 -0.00002 -0.00146 0.00000 33 2PX -0.00359 -0.00076 -0.00006 -0.00285 0.00000 34 2PY 0.00003 0.00001 -0.00039 0.00001 0.00000 35 2PZ -0.00348 -0.00291 -0.00005 -0.00121 0.00003 36 3S -0.02427 -0.00849 -0.00001 -0.00590 0.00013 37 3PX -0.00915 -0.00104 -0.00011 -0.00550 0.00001 38 3PY 0.00001 0.00008 -0.00287 0.00007 0.00000 39 3PZ -0.00689 -0.00360 -0.00008 -0.00113 0.00025 40 4XX 0.00005 -0.00006 0.00000 0.00019 0.00000 41 4YY -0.00001 -0.00008 0.00000 -0.00008 0.00000 42 4ZZ 0.00017 0.00032 0.00000 0.00005 0.00000 43 4XY 0.00000 0.00000 -0.00003 0.00000 0.00000 44 4XZ 0.00001 0.00006 0.00000 0.00004 0.00000 45 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 46 4 C 1S 0.00001 0.00002 0.00001 0.00002 0.00000 47 2S 0.00003 -0.00032 0.00008 -0.00024 0.00000 48 2PX -0.00039 0.00027 0.00003 -0.00073 0.00000 49 2PY -0.00008 -0.00004 -0.00008 -0.00024 0.00000 50 2PZ -0.00011 -0.00044 -0.00012 0.00033 0.00000 51 3S 0.00483 -0.00107 0.00259 -0.00163 0.00001 52 3PX -0.00212 0.00068 -0.00014 -0.00207 -0.00001 53 3PY 0.00249 0.00060 0.00003 -0.00084 -0.00001 54 3PZ -0.00064 -0.00044 -0.00054 0.00037 0.00003 55 4XX -0.00002 -0.00002 -0.00002 0.00003 0.00000 56 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 57 4ZZ 0.00000 0.00004 0.00000 -0.00002 0.00000 58 4XY -0.00003 -0.00001 0.00001 -0.00002 0.00000 59 4XZ -0.00001 0.00001 -0.00001 0.00000 0.00000 60 4YZ -0.00003 -0.00002 0.00001 -0.00002 0.00000 61 5 C 1S -0.00007 -0.00003 0.00001 -0.00003 0.00000 62 2S 0.00016 0.00015 -0.00151 0.00000 0.00000 63 2PX -0.00024 0.00011 -0.00011 -0.00010 0.00000 64 2PY -0.00428 -0.00045 -0.00440 -0.00025 0.00000 65 2PZ 0.00002 -0.00001 0.00002 0.00001 0.00000 66 3S 0.00047 -0.00098 -0.00446 -0.00025 0.00003 67 3PX -0.00163 0.00056 -0.00003 -0.00086 0.00001 68 3PY 0.00462 -0.00023 0.00244 0.00034 -0.00008 69 3PZ 0.00045 -0.00055 0.00164 0.00025 0.00002 70 4XX -0.00007 -0.00008 -0.00006 0.00013 0.00000 71 4YY 0.00025 -0.00004 0.00041 0.00002 0.00000 72 4ZZ -0.00019 0.00015 -0.00027 -0.00012 0.00000 73 4XY -0.00011 0.00005 -0.00014 0.00013 0.00000 74 4XZ -0.00002 0.00001 -0.00001 0.00000 0.00000 75 4YZ -0.00014 0.00009 -0.00024 0.00000 0.00000 76 6 C 1S 0.00141 0.00000 -0.00039 0.00000 0.00000 77 2S -0.00486 0.00000 0.01070 0.00000 -0.00055 78 2PX 0.00000 0.02884 0.00000 0.00000 0.00000 79 2PY 0.03376 0.00000 0.01596 0.00000 -0.00136 80 2PZ 0.00000 0.00000 0.00000 0.02320 0.00000 81 3S -0.09996 0.00000 -0.02371 0.00000 -0.00095 82 3PX 0.00000 0.04504 0.00000 0.00000 0.00000 83 3PY -0.02371 0.00000 0.00037 0.00000 -0.00101 84 3PZ 0.00000 0.00000 0.00000 0.03614 0.00000 85 4XX -0.00095 0.00000 -0.00101 0.00000 0.00003 86 4YY 0.00386 0.00000 0.00099 0.00000 -0.00005 87 4ZZ -0.00125 0.00000 -0.00120 0.00000 0.00001 88 4XY 0.00000 0.00121 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00117 0.00000 91 7 H 1S 0.04278 0.01616 0.00929 0.01972 0.00021 92 2S 0.00483 0.01600 0.00681 0.01826 0.00096 93 8 H 1S 0.00008 0.00009 0.00003 0.00010 0.00000 94 2S 0.00231 0.00172 0.00023 0.00147 -0.00001 95 9 H 1S 0.00000 0.00000 0.00001 -0.00001 0.00000 96 2S -0.00028 0.00006 -0.00002 -0.00026 0.00000 97 10 H 1S -0.00358 -0.00029 -0.00303 -0.00051 0.00000 98 2S -0.00542 -0.00154 -0.00622 -0.00201 0.00012 99 11 O 1S 0.00001 -0.00002 0.00001 -0.00004 0.00000 100 2S -0.00066 0.00018 0.00054 0.00021 0.00000 101 2PX -0.00155 0.00005 0.00038 -0.00038 0.00000 102 2PY -0.00351 -0.00128 0.00166 -0.00272 0.00000 103 2PZ -0.00400 -0.00075 0.00162 -0.00008 0.00000 104 3S 0.00073 0.00173 -0.00224 0.00285 0.00000 105 3PX -0.00767 0.00022 0.00101 -0.00176 -0.00001 106 3PY -0.01263 -0.00293 0.00284 -0.00710 -0.00008 107 3PZ -0.01873 -0.00275 0.00413 0.00017 0.00003 108 4XX 0.00011 0.00000 -0.00010 0.00002 0.00000 109 4YY -0.00053 -0.00020 0.00037 -0.00036 0.00000 110 4ZZ 0.00001 0.00003 0.00003 -0.00001 0.00000 111 4XY -0.00005 -0.00002 0.00006 0.00003 0.00000 112 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 113 4YZ -0.00026 -0.00002 0.00023 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00001 0.00000 0.00003 -0.00001 0.00000 116 2PX 0.00001 -0.00001 0.00005 -0.00002 0.00000 117 2PY 0.00009 0.00002 0.00017 -0.00001 0.00000 118 2PZ 0.00004 -0.00001 0.00015 0.00000 0.00000 119 3S 0.00006 -0.00002 0.00034 -0.00004 0.00000 120 3PX 0.00021 -0.00020 0.00050 -0.00017 0.00000 121 3PY 0.00104 0.00021 0.00140 -0.00010 0.00000 122 3PZ 0.00059 -0.00012 0.00144 -0.00002 0.00000 123 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 124 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00001 0.00000 0.00002 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00001 0.00000 0.00000 0.00000 135 3PX 0.00001 0.00008 -0.00001 -0.00001 0.00000 136 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 137 3PZ 0.00001 0.00002 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00002 0.00000 0.00000 0.00000 150 2PX 0.00005 -0.00010 0.00000 0.00002 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00011 -0.00053 -0.00007 -0.00001 0.00000 154 3PX 0.00083 -0.00133 -0.00008 0.00030 0.00001 155 3PY 0.00007 -0.00004 0.00004 0.00001 0.00000 156 3PZ -0.00005 -0.00005 -0.00001 0.00004 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00009 0.00001 -0.00003 0.00002 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00002 -0.00010 0.00000 -0.00002 0.00000 167 2PX 0.00013 0.00017 0.00000 -0.00001 0.00000 168 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 169 2PZ 0.00002 0.00002 0.00000 0.00001 0.00000 170 3S 0.00022 0.00073 0.00000 -0.00004 0.00000 171 3PX 0.00104 0.00180 -0.00001 0.00018 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00011 0.00039 0.00000 -0.00006 0.00000 174 4XX 0.00000 0.00002 0.00000 0.00000 0.00000 175 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 176 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 181 2S -0.00016 0.00035 0.00004 0.00027 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 -0.00003 0.00000 0.00001 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S -0.00006 -0.00008 0.00001 0.00000 0.00000 188 3PX -0.00019 -0.00075 -0.00008 0.00016 0.00000 189 3PY -0.00009 -0.00013 -0.00001 0.00000 0.00000 190 3PZ 0.00002 0.00003 -0.00002 0.00002 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00001 -0.00001 -0.00002 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S -0.00001 -0.00006 -0.00001 -0.00001 0.00000 201 2PX 0.00001 0.00001 0.00001 -0.00002 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 204 3S -0.00010 -0.00004 0.00000 0.00003 0.00000 205 3PX 0.00000 0.00075 -0.00005 0.00005 0.00000 206 3PY 0.00004 0.00014 0.00000 0.00001 0.00000 207 3PZ -0.00002 0.00012 0.00001 -0.00007 0.00000 208 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 215 2S 0.00005 0.00005 0.00005 -0.00001 0.00000 11 12 13 14 15 11 4YY 0.00077 12 4ZZ -0.00007 0.00072 13 4XY 0.00000 0.00000 0.00111 14 4XZ 0.00000 0.00000 0.00000 0.00067 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00126 16 2 C 1S 0.00000 -0.00003 -0.00004 -0.00005 -0.00006 17 2S -0.00021 0.00057 0.00062 0.00076 0.00093 18 2PX -0.00008 0.00039 0.00011 0.00000 0.00095 19 2PY -0.00032 0.00045 0.00004 0.00088 0.00004 20 2PZ -0.00011 -0.00040 0.00094 0.00023 0.00048 21 3S -0.00055 0.00077 0.00035 0.00024 0.00044 22 3PX -0.00015 0.00059 0.00002 0.00000 0.00011 23 3PY 0.00012 0.00003 -0.00007 0.00003 -0.00010 24 3PZ 0.00021 -0.00044 0.00016 0.00000 0.00000 25 4XX -0.00003 0.00001 -0.00001 0.00000 -0.00009 26 4YY 0.00002 -0.00005 0.00000 -0.00007 0.00000 27 4ZZ -0.00006 0.00000 -0.00009 0.00002 -0.00001 28 4XY -0.00001 -0.00004 0.00002 0.00001 -0.00002 29 4XZ -0.00003 0.00001 0.00001 0.00003 -0.00002 30 4YZ -0.00001 -0.00001 -0.00001 0.00001 0.00003 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00000 0.00001 0.00000 33 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00002 0.00000 36 3S 0.00000 0.00007 0.00000 0.00004 0.00000 37 3PX -0.00010 0.00029 0.00000 0.00006 0.00000 38 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00003 39 3PZ -0.00007 0.00001 0.00000 0.00007 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00000 -0.00001 -0.00004 0.00000 -0.00003 52 3PX -0.00002 0.00002 -0.00002 0.00000 -0.00003 53 3PY 0.00001 0.00000 0.00001 -0.00001 0.00001 54 3PZ 0.00000 -0.00001 -0.00003 0.00001 -0.00002 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00001 0.00000 0.00001 0.00000 0.00001 63 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 64 2PY 0.00002 0.00000 0.00002 0.00000 0.00004 65 2PZ 0.00001 0.00000 0.00002 0.00000 0.00001 66 3S 0.00002 0.00005 0.00008 0.00001 0.00011 67 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 68 3PY 0.00007 -0.00006 0.00006 0.00000 0.00010 69 3PZ 0.00001 0.00000 0.00004 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00031 0.00000 0.00000 0.00000 0.00000 77 2S 0.00347 -0.00059 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00253 0.00000 0.00000 79 2PY 0.00224 -0.00143 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00257 81 3S 0.00386 -0.00125 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.00121 0.00000 0.00000 83 3PY 0.00099 -0.00120 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00117 85 4XX -0.00005 0.00001 0.00000 0.00000 0.00000 86 4YY 0.00003 -0.00004 0.00000 0.00000 0.00000 87 4ZZ -0.00004 0.00003 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 -0.00012 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00018 91 7 H 1S -0.00060 0.00043 0.00166 0.00173 0.00206 92 2S -0.00096 0.00106 0.00035 0.00026 0.00044 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00002 0.00000 0.00005 0.00000 0.00005 98 2S -0.00012 0.00014 0.00019 0.00000 0.00022 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00002 0.00000 0.00000 0.00000 0.00001 103 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 104 3S 0.00006 -0.00001 0.00000 0.00000 -0.00001 105 3PX 0.00005 0.00004 0.00004 0.00000 0.00008 106 3PY 0.00037 -0.00001 0.00002 -0.00005 0.00019 107 3PZ 0.00025 -0.00005 0.00008 0.00000 -0.00003 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX -0.00001 0.00000 0.00000 0.00001 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05393 17 2S -0.01557 0.35893 18 2PX 0.00000 0.00000 0.35083 19 2PY 0.00000 0.00000 0.00000 0.42511 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.35656 21 3S -0.02739 0.20452 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.05642 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 -0.00516 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.05809 25 4XX -0.00093 -0.00981 0.00000 0.00000 0.00000 26 4YY -0.00120 -0.00270 0.00000 0.00000 0.00000 27 4ZZ -0.00093 -0.00970 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00030 -0.00078 -0.00041 -0.00053 32 2S -0.00030 0.00788 0.01384 0.00642 0.00943 33 2PX -0.00077 0.01433 0.00632 0.01359 0.02138 34 2PY -0.00045 0.00888 0.01400 0.00102 0.00846 35 2PZ -0.00057 0.01088 0.02133 0.00846 0.00194 36 3S 0.00111 -0.00104 0.02071 0.01429 0.01511 37 3PX -0.00015 0.00614 -0.00081 0.00896 0.01425 38 3PY -0.00113 0.00855 0.00926 0.00171 0.00591 39 3PZ 0.00030 0.00211 0.01083 0.00723 -0.00214 40 4XX -0.00003 0.00057 -0.00034 0.00042 0.00051 41 4YY 0.00000 -0.00026 -0.00022 -0.00028 -0.00013 42 4ZZ -0.00001 0.00003 -0.00004 0.00001 -0.00031 43 4XY -0.00006 0.00090 0.00042 0.00001 0.00095 44 4XZ -0.00006 0.00091 0.00032 0.00095 0.00007 45 4YZ -0.00004 0.00061 0.00097 0.00001 0.00011 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00005 -0.00005 -0.00013 -0.00004 48 2PX 0.00000 -0.00003 -0.00002 -0.00002 0.00001 49 2PY 0.00000 -0.00021 -0.00018 -0.00036 -0.00005 50 2PZ 0.00000 -0.00001 -0.00002 -0.00004 -0.00001 51 3S -0.00006 0.00002 -0.00031 -0.00367 -0.00065 52 3PX 0.00000 -0.00043 0.00004 -0.00016 -0.00021 53 3PY 0.00000 -0.00126 -0.00053 -0.00429 -0.00011 54 3PZ -0.00002 0.00019 -0.00004 -0.00033 0.00018 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00001 0.00001 0.00001 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00001 0.00000 0.00003 0.00002 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00001 0.00002 0.00001 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 -0.00002 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 -0.00002 0.00000 -0.00006 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00003 -0.00046 0.00000 -0.00063 0.00000 67 3PX 0.00000 0.00000 -0.00009 0.00000 0.00000 68 3PY 0.00010 -0.00131 0.00000 0.00073 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00008 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00006 -0.00004 -0.00016 -0.00006 78 2PX 0.00000 -0.00002 -0.00001 -0.00006 0.00001 79 2PY 0.00000 -0.00025 -0.00009 -0.00044 -0.00018 80 2PZ 0.00000 -0.00003 0.00001 -0.00003 -0.00003 81 3S -0.00007 0.00016 -0.00024 -0.00428 0.00002 82 3PX -0.00003 0.00015 0.00011 -0.00045 -0.00001 83 3PY 0.00001 -0.00151 -0.00011 -0.00439 0.00002 84 3PZ -0.00003 0.00000 -0.00010 -0.00025 0.00001 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00001 0.00002 0.00001 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00001 0.00000 0.00002 0.00002 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00002 0.00003 0.00001 91 7 H 1S 0.00000 -0.00015 -0.00028 -0.00002 -0.00036 92 2S 0.00025 -0.00361 -0.00428 0.00010 -0.00534 93 8 H 1S 0.00000 -0.00016 -0.00033 -0.00002 -0.00031 94 2S 0.00025 -0.00378 -0.00439 0.00010 -0.00468 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00009 0.00010 0.00012 0.00008 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00009 0.00008 0.00015 0.00013 99 11 O 1S 0.00000 -0.00027 -0.00003 -0.00197 -0.00002 100 2S -0.00015 0.00376 0.00050 0.02845 0.00027 101 2PX -0.00003 0.00074 0.01507 0.00407 -0.00047 102 2PY -0.00177 0.04211 0.00401 0.09891 0.00215 103 2PZ -0.00002 0.00037 -0.00048 0.00208 0.01544 104 3S -0.00099 -0.01110 -0.00016 0.00932 -0.00011 105 3PX -0.00015 0.00107 0.02912 0.00354 -0.00053 106 3PY -0.00836 0.06337 0.00337 0.05267 0.00189 107 3PZ -0.00007 0.00057 -0.00054 0.00187 0.02851 108 4XX 0.00002 -0.00068 0.00005 -0.00080 -0.00001 109 4YY -0.00079 0.00760 0.00075 0.00903 0.00040 110 4ZZ 0.00001 -0.00070 -0.00002 -0.00090 0.00002 111 4XY -0.00004 0.00024 0.00380 0.00061 -0.00003 112 4XZ 0.00000 0.00000 0.00004 0.00002 0.00008 113 4YZ -0.00002 0.00010 -0.00003 0.00030 0.00403 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00003 0.00001 0.00000 135 3PX 0.00000 0.00000 -0.00002 0.00001 0.00000 136 3PY 0.00000 0.00001 0.00003 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00001 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 150 2PX 0.00000 -0.00003 0.00000 -0.00001 0.00001 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00001 0.00002 -0.00054 -0.00007 -0.00008 154 3PX 0.00003 -0.00099 0.00068 -0.00017 0.00022 155 3PY 0.00000 -0.00002 0.00007 -0.00008 0.00001 156 3PZ 0.00000 -0.00008 -0.00012 0.00000 -0.00017 157 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 -0.00002 -0.00009 -0.00001 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 -0.00001 -0.00001 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 170 3S 0.00001 -0.00022 -0.00016 0.00005 0.00014 171 3PX 0.00001 -0.00051 -0.00053 -0.00013 -0.00001 172 3PY 0.00000 0.00002 -0.00010 0.00001 -0.00002 173 3PZ 0.00002 -0.00027 -0.00012 0.00002 0.00017 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00002 0.00008 0.00000 0.00005 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 188 3PX 0.00000 0.00003 0.00000 0.00005 -0.00001 189 3PY 0.00000 -0.00001 -0.00004 -0.00001 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00003 0.00002 0.00000 -0.00001 205 3PX 0.00000 -0.00003 -0.00009 -0.00001 -0.00007 206 3PY 0.00000 0.00001 -0.00002 -0.00001 -0.00001 207 3PZ 0.00000 0.00002 0.00000 0.00001 -0.00002 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.22047 22 3PX 0.00000 0.05211 23 3PY 0.00000 0.00000 0.03644 24 3PZ 0.00000 0.00000 0.00000 0.05180 25 4XX -0.00462 0.00000 0.00000 0.00000 0.00204 26 4YY -0.00426 0.00000 0.00000 0.00000 -0.00034 27 4ZZ -0.00435 0.00000 0.00000 0.00000 0.00030 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00054 0.00051 0.00051 0.00034 -0.00003 32 2S 0.00299 0.00086 0.00200 -0.00069 0.00051 33 2PX 0.01336 0.00026 0.00515 0.00401 -0.00067 34 2PY 0.00747 0.00173 0.00200 0.00096 0.00091 35 2PZ 0.00960 0.00398 0.00287 0.00130 0.00089 36 3S -0.02455 -0.00729 -0.00765 -0.00177 0.00352 37 3PX 0.00659 0.00261 0.00197 0.00410 -0.00091 38 3PY 0.00601 0.00242 0.00027 0.00012 0.00019 39 3PZ 0.00097 0.00091 -0.00076 0.00136 0.00192 40 4XX 0.00109 -0.00041 0.00022 0.00062 0.00000 41 4YY -0.00058 0.00021 0.00014 -0.00012 -0.00007 42 4ZZ 0.00013 0.00045 -0.00039 -0.00032 0.00001 43 4XY 0.00029 0.00000 -0.00008 0.00010 -0.00001 44 4XZ 0.00028 0.00000 0.00009 0.00001 -0.00001 45 4YZ 0.00033 0.00016 -0.00007 0.00002 -0.00006 46 4 C 1S -0.00001 0.00000 -0.00018 0.00002 0.00000 47 2S -0.00052 -0.00020 0.00155 -0.00044 0.00000 48 2PX 0.00008 0.00004 0.00023 -0.00013 0.00000 49 2PY -0.00274 -0.00035 0.00175 -0.00014 -0.00001 50 2PZ -0.00078 -0.00035 0.00010 0.00015 0.00000 51 3S 0.00235 0.00012 0.00664 -0.00234 -0.00012 52 3PX 0.00137 0.00023 0.00033 -0.00062 -0.00010 53 3PY -0.00324 0.00148 0.00251 0.00042 -0.00044 54 3PZ -0.00119 -0.00047 0.00070 0.00086 0.00008 55 4XX 0.00002 -0.00001 -0.00003 0.00002 0.00000 56 4YY -0.00001 0.00000 0.00004 0.00001 0.00000 57 4ZZ 0.00005 0.00002 -0.00008 0.00001 0.00000 58 4XY 0.00006 0.00000 0.00007 0.00002 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00007 0.00003 0.00004 0.00000 0.00000 61 5 C 1S 0.00003 0.00000 0.00010 0.00000 0.00000 62 2S -0.00046 0.00000 -0.00131 0.00000 0.00000 63 2PX 0.00000 -0.00009 0.00000 0.00000 0.00000 64 2PY -0.00063 0.00000 0.00073 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 66 3S -0.00335 0.00000 -0.00473 0.00000 0.00001 67 3PX 0.00000 0.00018 0.00000 0.00000 0.00000 68 3PY -0.00472 0.00000 -0.00123 0.00000 0.00003 69 3PZ 0.00000 0.00000 0.00000 0.00027 0.00000 70 4XX 0.00001 0.00000 0.00003 0.00000 0.00000 71 4YY -0.00002 0.00000 0.00008 0.00000 0.00000 72 4ZZ 0.00002 0.00000 0.00002 0.00000 0.00000 73 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 76 6 C 1S 0.00001 0.00002 -0.00015 0.00000 0.00000 77 2S -0.00076 -0.00036 0.00164 -0.00018 0.00000 78 2PX -0.00082 0.00020 -0.00035 -0.00029 0.00000 79 2PY -0.00264 -0.00051 0.00265 -0.00039 -0.00001 80 2PZ -0.00074 -0.00032 -0.00009 0.00006 0.00001 81 3S 0.00047 -0.00163 0.00462 0.00045 -0.00008 82 3PX -0.00098 0.00056 -0.00022 -0.00055 -0.00008 83 3PY -0.00446 -0.00003 0.00244 0.00164 -0.00006 84 3PZ -0.00025 -0.00086 0.00034 0.00025 0.00013 85 4XX 0.00003 0.00001 -0.00008 0.00002 0.00000 86 4YY 0.00002 0.00000 0.00007 0.00001 0.00000 87 4ZZ 0.00005 0.00002 -0.00006 0.00000 0.00000 88 4XY 0.00008 0.00000 0.00007 0.00004 0.00000 89 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00011 0.00003 0.00010 0.00000 0.00000 91 7 H 1S -0.00263 0.00004 -0.00052 -0.00111 0.00002 92 2S -0.01118 0.00051 -0.00116 -0.00275 0.00043 93 8 H 1S -0.00246 -0.00089 -0.00044 0.00003 0.00001 94 2S -0.00885 -0.00224 -0.00086 0.00093 0.00009 95 9 H 1S 0.00008 0.00004 0.00000 0.00002 0.00000 96 2S 0.00099 0.00045 -0.00011 0.00030 0.00000 97 10 H 1S 0.00009 0.00004 0.00003 0.00005 0.00000 98 2S 0.00131 0.00038 0.00031 0.00057 0.00000 99 11 O 1S 0.00152 0.00000 0.00011 0.00000 0.00001 100 2S -0.02248 -0.00017 -0.01279 -0.00001 -0.00063 101 2PX 0.00080 0.02076 -0.00030 -0.00013 0.00020 102 2PY 0.02242 0.00035 -0.00515 0.00029 -0.00137 103 2PZ 0.00017 -0.00013 -0.00005 0.02061 0.00000 104 3S -0.07475 -0.00054 -0.01898 -0.00026 -0.00225 105 3PX 0.00172 0.04687 -0.00053 -0.00020 -0.00017 106 3PY 0.04168 0.00055 -0.00169 0.00042 -0.00386 107 3PZ 0.00026 -0.00020 -0.00008 0.04603 0.00002 108 4XX -0.00043 -0.00005 0.00118 -0.00002 0.00005 109 4YY 0.00583 0.00017 -0.00178 0.00011 -0.00023 110 4ZZ -0.00051 0.00000 0.00118 -0.00002 0.00002 111 4XY 0.00007 0.00140 -0.00001 -0.00001 0.00002 112 4XZ 0.00000 0.00002 0.00000 0.00003 0.00000 113 4YZ 0.00003 -0.00001 0.00000 0.00141 -0.00001 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00001 0.00000 0.00006 0.00000 0.00000 120 3PX 0.00000 0.00002 0.00000 0.00000 0.00000 121 3PY -0.00002 0.00000 -0.00016 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00001 0.00000 0.00001 0.00000 0.00000 131 2PX 0.00002 -0.00002 0.00003 0.00001 0.00000 132 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00015 0.00044 0.00010 0.00000 0.00000 135 3PX 0.00002 -0.00005 0.00024 0.00003 0.00000 136 3PY 0.00008 0.00025 0.00001 0.00001 0.00000 137 3PZ -0.00003 0.00004 -0.00002 0.00008 0.00000 138 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 146 15 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 147 2S 0.00009 0.00014 0.00009 0.00000 0.00000 148 16 C 1S 0.00001 0.00003 0.00000 0.00000 0.00000 149 2S -0.00024 -0.00079 -0.00006 -0.00001 0.00000 150 2PX -0.00001 0.00033 -0.00028 0.00007 0.00002 151 2PY -0.00001 -0.00010 -0.00004 0.00001 0.00000 152 2PZ 0.00004 0.00003 0.00000 0.00004 0.00000 153 3S -0.00053 -0.00382 -0.00016 -0.00016 0.00003 154 3PX 0.00046 0.00283 -0.00070 0.00028 0.00039 155 3PY -0.00003 0.00007 -0.00008 0.00004 0.00001 156 3PZ 0.00006 -0.00012 -0.00003 0.00012 0.00004 157 4XX 0.00003 0.00013 -0.00001 0.00001 0.00000 158 4YY 0.00000 -0.00004 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S -0.00004 -0.00029 -0.00001 0.00000 0.00000 164 2S -0.00025 -0.00033 -0.00015 0.00000 -0.00003 165 18 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 166 2S -0.00009 -0.00014 -0.00002 -0.00006 0.00000 167 2PX 0.00022 0.00000 -0.00031 -0.00022 0.00000 168 2PY 0.00002 -0.00004 0.00002 0.00000 0.00000 169 2PZ -0.00009 -0.00008 -0.00012 0.00000 0.00000 170 3S -0.00048 -0.00018 -0.00028 -0.00012 0.00004 171 3PX 0.00098 -0.00028 -0.00114 -0.00095 -0.00001 172 3PY -0.00002 -0.00027 0.00001 -0.00002 -0.00001 173 3PZ -0.00014 0.00040 -0.00044 0.00011 0.00002 174 4XX 0.00001 0.00002 0.00001 0.00001 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 177 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 178 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00003 -0.00001 0.00000 -0.00005 0.00000 181 2S 0.00042 0.00037 0.00000 0.00008 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00000 0.00001 0.00000 0.00000 184 2PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 185 2PY 0.00000 -0.00002 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00007 -0.00021 0.00004 -0.00001 0.00000 188 3PX -0.00003 -0.00013 0.00007 -0.00004 0.00000 189 3PY 0.00001 -0.00027 -0.00005 -0.00002 0.00000 190 3PZ 0.00000 -0.00001 0.00001 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00001 0.00001 -0.00001 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00001 0.00001 0.00003 0.00000 0.00000 201 2PX 0.00000 -0.00004 -0.00008 -0.00006 0.00000 202 2PY -0.00002 -0.00001 0.00001 0.00000 0.00000 203 2PZ 0.00002 0.00001 -0.00001 -0.00001 0.00000 204 3S 0.00008 0.00012 0.00030 0.00007 0.00000 205 3PX -0.00003 -0.00029 -0.00055 -0.00043 -0.00002 206 3PY -0.00017 -0.00015 0.00006 0.00002 -0.00001 207 3PZ 0.00012 0.00000 -0.00002 -0.00004 -0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00001 -0.00003 -0.00002 0.00001 0.00000 26 27 28 29 30 26 4YY 0.00224 27 4ZZ -0.00029 0.00197 28 4XY 0.00000 0.00000 0.00342 29 4XZ 0.00000 0.00000 0.00000 0.00061 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00360 31 3 C 1S 0.00001 -0.00001 -0.00008 -0.00006 -0.00007 32 2S -0.00027 0.00004 0.00110 0.00079 0.00101 33 2PX -0.00008 0.00015 0.00044 0.00018 0.00190 34 2PY -0.00038 0.00028 0.00012 0.00081 0.00013 35 2PZ -0.00030 -0.00043 0.00160 -0.00009 0.00015 36 3S -0.00166 0.00038 0.00143 0.00044 0.00113 37 3PX 0.00012 0.00090 -0.00001 0.00000 0.00061 38 3PY -0.00035 -0.00023 0.00000 0.00009 0.00001 39 3PZ -0.00078 -0.00054 0.00052 0.00003 -0.00001 40 4XX -0.00003 -0.00003 0.00000 -0.00001 -0.00006 41 4YY 0.00002 -0.00004 -0.00001 -0.00004 -0.00001 42 4ZZ -0.00003 0.00001 -0.00007 0.00001 -0.00001 43 4XY 0.00000 -0.00007 0.00002 0.00000 -0.00001 44 4XZ -0.00006 0.00001 0.00000 0.00003 0.00002 45 4YZ 0.00000 -0.00002 0.00001 -0.00001 0.00001 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00002 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00001 0.00000 0.00000 0.00000 0.00001 49 2PY 0.00008 0.00000 0.00001 0.00000 0.00001 50 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 51 3S 0.00025 -0.00011 -0.00011 -0.00002 -0.00015 52 3PX 0.00007 0.00007 0.00000 0.00000 0.00009 53 3PY 0.00055 -0.00003 -0.00022 -0.00003 -0.00012 54 3PZ -0.00005 -0.00003 0.00002 0.00000 0.00003 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00002 0.00002 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 68 3PY 0.00008 0.00002 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00002 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00001 -0.00001 0.00000 0.00002 79 2PY 0.00009 -0.00001 0.00001 0.00000 0.00001 80 2PZ 0.00001 0.00000 0.00002 0.00000 -0.00001 81 3S 0.00025 -0.00019 -0.00011 -0.00002 -0.00014 82 3PX -0.00004 0.00015 0.00005 0.00001 0.00009 83 3PY 0.00042 -0.00027 -0.00014 -0.00001 -0.00024 84 3PZ 0.00002 -0.00012 0.00013 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00001 0.00004 0.00000 0.00004 0.00000 92 2S -0.00022 0.00034 -0.00004 0.00013 -0.00005 93 8 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 94 2S -0.00018 0.00073 -0.00005 0.00015 -0.00004 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00000 0.00001 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00000 0.00001 0.00000 0.00000 99 11 O 1S -0.00072 0.00001 -0.00003 0.00000 -0.00001 100 2S 0.00793 -0.00062 0.00036 0.00002 0.00015 101 2PX 0.00061 0.00001 0.00614 0.00003 0.00012 102 2PY 0.00193 -0.00143 0.00071 0.00004 0.00025 103 2PZ 0.00025 0.00009 0.00012 0.00010 0.00684 104 3S 0.01144 -0.00225 0.00018 0.00001 0.00007 105 3PX 0.00054 0.00006 0.00682 0.00003 0.00006 106 3PY 0.00112 -0.00429 0.00017 0.00002 0.00006 107 3PZ 0.00022 -0.00007 0.00006 0.00010 0.00737 108 4XX -0.00010 0.00002 0.00002 0.00000 0.00000 109 4YY -0.00008 -0.00025 0.00008 0.00000 0.00003 110 4ZZ -0.00011 0.00006 0.00000 0.00000 0.00001 111 4XY 0.00005 -0.00001 0.00054 0.00001 0.00000 112 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 113 4YZ 0.00002 0.00001 0.00000 0.00002 0.00060 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00002 0.00001 0.00001 0.00000 154 3PX -0.00004 -0.00012 0.00001 0.00002 0.00001 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ -0.00001 0.00000 0.00000 -0.00001 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00001 0.00000 0.00002 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00001 0.00001 0.00001 0.00001 0.00001 171 3PX 0.00001 0.00000 0.00000 0.00006 0.00001 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ -0.00001 0.00001 0.00000 0.00001 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX 0.00001 0.00001 -0.00001 0.00000 -0.00001 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05568 32 2S -0.01303 0.31926 33 2PX 0.00000 0.00000 0.35918 34 2PY 0.00000 0.00000 0.00000 0.42056 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38844 36 3S -0.04301 0.27661 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.12384 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07432 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.11112 40 4XX -0.00101 -0.00763 0.00000 0.00000 0.00000 41 4YY -0.00130 -0.00138 0.00000 0.00000 0.00000 42 4ZZ -0.00124 -0.00297 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00051 0.00000 -0.00255 0.00000 47 2S -0.00051 0.01091 0.00000 0.03913 0.00000 48 2PX 0.00000 0.00000 0.01380 0.00000 0.00000 49 2PY -0.00255 0.03913 0.00000 0.09866 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00810 51 3S 0.00178 -0.00340 0.00000 0.03292 0.00000 52 3PX 0.00000 0.00000 0.02010 0.00000 0.00000 53 3PY 0.00047 0.00779 0.00000 0.02182 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.01162 55 4XX 0.00000 -0.00042 0.00000 -0.00103 0.00000 56 4YY -0.00024 0.00321 0.00000 0.00241 0.00000 57 4ZZ 0.00000 -0.00046 0.00000 -0.00122 0.00000 58 4XY 0.00000 0.00000 0.00198 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00200 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00005 -0.00003 -0.00021 -0.00001 63 2PX 0.00000 -0.00005 -0.00002 -0.00018 -0.00002 64 2PY 0.00000 -0.00013 -0.00002 -0.00036 -0.00004 65 2PZ 0.00000 -0.00004 0.00001 -0.00005 -0.00001 66 3S -0.00001 -0.00052 0.00008 -0.00274 -0.00078 67 3PX 0.00000 -0.00020 0.00003 -0.00035 -0.00035 68 3PY -0.00018 0.00155 0.00023 0.00175 0.00010 69 3PZ 0.00002 -0.00044 -0.00013 -0.00014 0.00015 70 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 71 4YY 0.00000 0.00002 0.00001 0.00008 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 78 2PX 0.00000 -0.00001 0.00001 0.00000 -0.00002 79 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 80 2PZ 0.00000 0.00000 -0.00003 -0.00001 0.00001 81 3S 0.00001 0.00003 -0.00039 -0.00008 -0.00011 82 3PX 0.00002 -0.00032 0.00027 -0.00004 -0.00044 83 3PY 0.00001 0.00008 0.00003 -0.00008 -0.00012 84 3PZ 0.00002 -0.00024 -0.00073 -0.00024 0.00033 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00011 0.00022 0.00002 0.00019 93 8 H 1S -0.00201 0.03202 0.01167 0.02440 0.06302 94 2S -0.00093 0.01132 0.00750 0.01280 0.03868 95 9 H 1S 0.00000 -0.00018 -0.00003 -0.00052 -0.00007 96 2S 0.00021 -0.00300 -0.00045 -0.00609 -0.00122 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00001 -0.00001 -0.00005 0.00000 101 2PX 0.00000 -0.00004 -0.00001 -0.00013 -0.00005 102 2PY 0.00000 -0.00003 -0.00007 -0.00012 -0.00002 103 2PZ 0.00000 -0.00003 -0.00005 -0.00006 0.00000 104 3S 0.00001 -0.00006 0.00009 -0.00186 0.00014 105 3PX 0.00006 -0.00130 -0.00011 -0.00277 -0.00104 106 3PY 0.00004 -0.00059 -0.00089 -0.00209 -0.00010 107 3PZ 0.00004 -0.00095 -0.00115 -0.00127 0.00002 108 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 109 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 111 4XY 0.00000 0.00000 0.00001 0.00001 0.00001 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00002 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 121 3PY 0.00000 0.00001 0.00000 0.00005 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00002 -0.00010 0.00000 0.00000 131 2PX 0.00000 -0.00006 -0.00023 -0.00001 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 134 3S 0.00003 -0.00069 -0.00216 -0.00006 -0.00014 135 3PX 0.00004 -0.00056 0.00004 0.00013 -0.00006 136 3PY 0.00000 -0.00009 -0.00016 -0.00003 0.00003 137 3PZ 0.00001 -0.00008 -0.00020 0.00011 -0.00023 138 4XX 0.00000 0.00000 0.00005 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00003 0.00021 0.00000 0.00002 146 15 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 147 2S 0.00000 -0.00005 -0.00048 -0.00011 0.00010 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00017 0.00019 -0.00001 0.00011 150 2PX 0.00000 0.00022 0.00394 0.00020 0.00171 151 2PY 0.00000 0.00000 0.00014 -0.00004 0.00003 152 2PZ 0.00000 0.00003 0.00118 0.00005 0.00041 153 3S 0.00018 -0.00115 -0.00017 -0.00027 0.00147 154 3PX 0.00009 -0.00043 0.01077 0.00062 0.00627 155 3PY 0.00002 0.00011 0.00002 0.00059 0.00004 156 3PZ -0.00001 -0.00024 0.00604 0.00052 0.00024 157 4XX 0.00000 0.00004 0.00015 0.00002 0.00011 158 4YY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 159 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00001 160 4XY 0.00000 0.00000 0.00002 0.00001 0.00001 161 4XZ 0.00000 0.00005 0.00015 0.00002 0.00002 162 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 -0.00002 -0.00001 0.00000 164 2S 0.00002 -0.00029 -0.00101 -0.00067 -0.00032 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 167 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00001 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 -0.00001 -0.00002 0.00000 -0.00005 170 3S 0.00000 -0.00006 0.00054 0.00000 0.00012 171 3PX 0.00003 -0.00067 -0.00021 0.00000 -0.00045 172 3PY 0.00000 0.00000 0.00000 0.00002 0.00000 173 3PZ 0.00001 -0.00050 0.00030 0.00000 -0.00047 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00002 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 -0.00002 -0.00001 -0.00001 184 2PX 0.00000 0.00000 -0.00002 -0.00003 -0.00001 185 2PY 0.00000 -0.00001 -0.00003 -0.00002 -0.00001 186 2PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 187 3S 0.00000 -0.00003 -0.00061 0.00009 -0.00025 188 3PX 0.00000 -0.00008 -0.00076 -0.00077 -0.00047 189 3PY -0.00001 -0.00002 -0.00016 0.00038 0.00015 190 3PZ 0.00001 -0.00015 -0.00078 -0.00056 -0.00004 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00001 0.00001 0.00007 0.00001 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00002 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 204 3S 0.00000 -0.00001 -0.00008 -0.00011 -0.00011 205 3PX 0.00001 -0.00017 -0.00039 0.00009 -0.00107 206 3PY 0.00000 0.00000 -0.00013 -0.00001 -0.00029 207 3PZ 0.00001 -0.00018 -0.00066 -0.00013 -0.00066 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 36 37 38 39 40 36 3S 0.55233 37 3PX 0.00000 0.14607 38 3PY 0.00000 0.00000 0.07150 39 3PZ 0.00000 0.00000 0.00000 0.11604 40 4XX -0.00566 0.00000 0.00000 0.00000 0.00093 41 4YY -0.00391 0.00000 0.00000 0.00000 -0.00004 42 4ZZ -0.00169 0.00000 0.00000 0.00000 0.00007 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00178 0.00000 0.00047 0.00000 0.00000 47 2S -0.00340 0.00000 0.00779 0.00000 -0.00042 48 2PX 0.00000 0.02010 0.00000 0.00000 0.00000 49 2PY 0.03292 0.00000 0.02182 0.00000 -0.00103 50 2PZ 0.00000 0.00000 0.00000 0.01162 0.00000 51 3S -0.10121 -0.00001 -0.03113 0.00000 -0.00099 52 3PX 0.00001 0.03188 0.00000 0.00000 0.00000 53 3PY -0.03114 0.00000 0.00235 0.00000 -0.00090 54 3PZ 0.00000 0.00000 0.00000 0.01819 0.00000 55 4XX -0.00099 0.00000 -0.00090 0.00000 0.00002 56 4YY 0.00430 0.00000 0.00141 0.00000 -0.00005 57 4ZZ -0.00117 0.00000 -0.00126 0.00000 0.00001 58 4XY 0.00000 0.00133 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00105 0.00000 61 5 C 1S -0.00006 0.00000 0.00000 -0.00002 0.00000 62 2S 0.00002 -0.00044 -0.00126 0.00019 0.00000 63 2PX -0.00031 0.00004 -0.00053 -0.00004 0.00000 64 2PY -0.00367 -0.00016 -0.00429 -0.00033 0.00000 65 2PZ -0.00065 -0.00022 -0.00011 0.00018 0.00000 66 3S 0.00235 0.00137 -0.00324 -0.00119 0.00002 67 3PX 0.00012 0.00023 0.00148 -0.00047 -0.00001 68 3PY 0.00663 0.00033 0.00250 0.00070 -0.00003 69 3PZ -0.00234 -0.00063 0.00042 0.00086 0.00002 70 4XX -0.00012 -0.00010 -0.00044 0.00008 0.00000 71 4YY 0.00025 0.00007 0.00055 -0.00005 0.00000 72 4ZZ -0.00011 0.00007 -0.00003 -0.00003 0.00000 73 4XY -0.00011 0.00000 -0.00022 0.00002 0.00000 74 4XZ -0.00002 0.00000 -0.00003 0.00000 0.00000 75 4YZ -0.00015 0.00009 -0.00012 0.00003 0.00000 76 6 C 1S 0.00000 0.00002 0.00000 0.00001 0.00000 77 2S 0.00019 -0.00041 0.00002 -0.00002 0.00000 78 2PX -0.00004 0.00024 0.00019 -0.00003 0.00000 79 2PY -0.00013 -0.00019 -0.00009 -0.00022 0.00000 80 2PZ -0.00004 -0.00056 -0.00015 0.00022 0.00000 81 3S 0.00483 -0.00212 0.00249 -0.00064 -0.00002 82 3PX -0.00107 0.00068 0.00060 -0.00044 -0.00002 83 3PY 0.00258 -0.00014 0.00003 -0.00054 -0.00002 84 3PZ -0.00162 -0.00207 -0.00084 0.00037 0.00003 85 4XX 0.00000 -0.00001 -0.00001 0.00003 0.00000 86 4YY 0.00000 -0.00002 0.00001 0.00000 0.00000 87 4ZZ -0.00001 0.00002 0.00000 -0.00001 0.00000 88 4XY -0.00004 -0.00002 0.00001 -0.00003 0.00000 89 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 90 4YZ -0.00003 -0.00003 0.00001 -0.00002 0.00000 91 7 H 1S 0.00009 0.00012 0.00002 0.00009 0.00000 92 2S 0.00247 0.00208 0.00015 0.00158 0.00000 93 8 H 1S 0.04244 0.00671 0.00826 0.03508 -0.00082 94 2S -0.00197 0.00638 0.00644 0.03463 -0.00081 95 9 H 1S -0.00323 -0.00020 -0.00353 -0.00074 0.00000 96 2S -0.00506 -0.00093 -0.00599 -0.00293 0.00015 97 10 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 98 2S -0.00040 -0.00008 -0.00002 -0.00021 0.00000 99 11 O 1S 0.00001 -0.00003 0.00002 -0.00002 0.00000 100 2S -0.00068 0.00023 0.00026 0.00011 0.00000 101 2PX -0.00411 -0.00006 0.00124 -0.00127 0.00000 102 2PY -0.00298 -0.00210 0.00122 -0.00132 0.00000 103 2PZ -0.00189 -0.00078 0.00049 -0.00012 0.00000 104 3S 0.00043 0.00241 -0.00225 0.00156 0.00000 105 3PX -0.01953 0.00002 0.00291 -0.00449 -0.00005 106 3PY -0.00985 -0.00552 0.00208 -0.00293 0.00002 107 3PZ -0.00928 -0.00328 0.00139 -0.00074 0.00007 108 4XX 0.00001 -0.00001 0.00005 0.00002 0.00000 109 4YY -0.00043 -0.00027 0.00027 -0.00019 0.00000 110 4ZZ 0.00012 0.00004 -0.00009 0.00000 0.00000 111 4XY -0.00026 0.00000 0.00019 -0.00006 0.00000 112 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 113 4YZ -0.00008 0.00002 0.00007 -0.00003 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00001 0.00000 0.00003 0.00000 0.00000 116 2PX 0.00003 0.00000 0.00013 0.00000 0.00000 117 2PY 0.00006 0.00000 0.00013 0.00001 0.00000 118 2PZ 0.00002 -0.00001 0.00005 0.00000 0.00000 119 3S 0.00009 -0.00004 0.00025 0.00002 0.00000 120 3PX 0.00048 0.00000 0.00137 -0.00003 0.00000 121 3PY 0.00075 -0.00008 0.00108 0.00011 0.00000 122 3PZ 0.00028 -0.00012 0.00047 -0.00007 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00001 0.00000 0.00002 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 129 13 C 1S 0.00003 0.00010 0.00000 0.00001 0.00000 130 2S -0.00077 -0.00190 0.00013 -0.00021 0.00001 131 2PX -0.00155 -0.00286 0.00024 -0.00043 0.00003 132 2PY 0.00020 0.00047 -0.00023 0.00002 0.00000 133 2PZ -0.00015 0.00008 0.00005 -0.00007 0.00000 134 3S -0.00414 -0.00739 0.00041 -0.00094 0.00010 135 3PX -0.00303 0.00007 0.00037 -0.00040 0.00023 136 3PY -0.00004 0.00056 -0.00054 -0.00004 0.00003 137 3PZ -0.00055 -0.00037 0.00024 -0.00038 0.00002 138 4XX 0.00018 0.00059 -0.00004 0.00008 0.00000 139 4YY -0.00001 -0.00016 0.00000 -0.00001 0.00000 140 4ZZ -0.00005 -0.00013 0.00001 -0.00001 0.00000 141 4XY 0.00002 0.00013 -0.00001 0.00002 0.00000 142 4XZ 0.00001 0.00005 0.00000 -0.00002 0.00000 143 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 144 14 H 1S 0.00002 0.00008 0.00000 0.00001 0.00000 145 2S 0.00059 0.00226 -0.00008 0.00029 -0.00001 146 15 H 1S -0.00057 -0.00056 0.00016 0.00013 0.00000 147 2S -0.00161 -0.00041 0.00006 0.00041 0.00002 148 16 C 1S 0.00015 0.00013 0.00001 -0.00003 0.00000 149 2S 0.00026 -0.00087 -0.00050 0.00137 0.00005 150 2PX 0.00215 0.01104 0.00002 0.00774 0.00002 151 2PY 0.00045 0.00072 0.00095 0.00009 0.00002 152 2PZ 0.00016 0.00590 0.00001 0.00028 0.00010 153 3S 0.00009 -0.00486 -0.00075 0.00397 0.00030 154 3PX -0.00103 0.01407 0.00032 0.01234 0.00020 155 3PY -0.00029 -0.00010 0.00170 -0.00011 0.00003 156 3PZ 0.00174 0.01222 -0.00012 -0.00117 0.00035 157 4XX 0.00040 0.00080 0.00005 0.00048 0.00000 158 4YY -0.00028 -0.00048 0.00001 -0.00018 0.00000 159 4ZZ 0.00003 0.00017 0.00000 -0.00006 0.00000 160 4XY -0.00001 0.00001 0.00001 0.00002 0.00000 161 4XZ 0.00019 0.00029 0.00005 0.00002 -0.00001 162 4YZ 0.00000 0.00004 0.00002 0.00000 0.00000 163 17 H 1S -0.00050 -0.00111 0.00031 -0.00012 0.00000 164 2S -0.00547 -0.00510 0.00100 -0.00159 -0.00001 165 18 C 1S 0.00000 0.00001 0.00000 0.00002 0.00000 166 2S -0.00002 -0.00051 0.00000 -0.00048 0.00000 167 2PX -0.00062 -0.00015 0.00000 -0.00027 0.00000 168 2PY 0.00000 0.00000 -0.00002 0.00000 0.00000 169 2PZ -0.00024 -0.00111 0.00000 -0.00020 0.00000 170 3S 0.00205 0.00292 0.00000 0.00224 0.00000 171 3PX -0.00343 -0.00060 0.00001 -0.00162 0.00005 172 3PY 0.00000 0.00000 0.00037 -0.00001 0.00000 173 3PZ -0.00053 0.00020 0.00001 0.00004 0.00001 174 4XX 0.00000 -0.00001 0.00000 -0.00004 0.00000 175 4YY -0.00002 -0.00002 0.00000 -0.00004 0.00000 176 4ZZ 0.00002 0.00007 0.00000 0.00007 0.00000 177 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 178 4XZ 0.00002 0.00006 0.00000 0.00012 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00002 0.00000 -0.00003 0.00000 181 2S -0.00003 0.00019 -0.00002 -0.00019 0.00000 182 20 C 1S 0.00000 0.00003 0.00000 0.00002 0.00000 183 2S -0.00052 -0.00096 -0.00039 -0.00062 0.00000 184 2PX -0.00015 -0.00065 -0.00046 -0.00037 0.00000 185 2PY -0.00074 -0.00088 -0.00063 -0.00032 0.00000 186 2PZ 0.00001 -0.00084 -0.00025 -0.00002 0.00000 187 3S -0.00137 -0.00338 -0.00007 -0.00207 0.00002 188 3PX 0.00048 -0.00246 -0.00102 -0.00187 -0.00003 189 3PY -0.00056 -0.00091 0.00038 0.00006 0.00002 190 3PZ -0.00070 -0.00357 -0.00175 0.00027 -0.00002 191 4XX 0.00003 0.00007 -0.00006 0.00006 0.00000 192 4YY 0.00002 -0.00008 0.00006 -0.00003 0.00000 193 4ZZ 0.00000 0.00007 -0.00002 0.00002 0.00000 194 4XY 0.00001 0.00002 0.00003 0.00001 0.00000 195 4XZ 0.00002 0.00008 -0.00002 0.00001 0.00000 196 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 197 21 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 198 2S 0.00050 0.00014 0.00115 0.00005 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S -0.00011 0.00002 -0.00003 -0.00013 0.00000 201 2PX -0.00021 -0.00049 0.00017 -0.00091 0.00000 202 2PY -0.00003 -0.00010 -0.00001 -0.00005 0.00000 203 2PZ -0.00033 -0.00040 0.00007 -0.00061 0.00000 204 3S -0.00120 -0.00054 -0.00125 -0.00079 -0.00001 205 3PX -0.00150 -0.00115 0.00086 -0.00469 0.00000 206 3PY -0.00044 -0.00089 -0.00005 -0.00111 -0.00001 207 3PZ -0.00213 -0.00329 -0.00032 -0.00267 -0.00001 208 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 209 4YY 0.00001 -0.00001 0.00001 0.00000 0.00000 210 4ZZ -0.00001 -0.00003 -0.00001 -0.00003 0.00000 211 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 213 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00013 -0.00002 -0.00013 0.00000 41 42 43 44 45 41 4YY 0.00091 42 4ZZ -0.00008 0.00090 43 4XY 0.00000 0.00000 0.00093 44 4XZ 0.00000 0.00000 0.00000 0.00064 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00124 46 4 C 1S -0.00024 0.00000 0.00000 0.00000 0.00000 47 2S 0.00321 -0.00046 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00198 0.00000 0.00000 49 2PY 0.00241 -0.00122 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00199 51 3S 0.00430 -0.00117 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00133 0.00000 0.00000 53 3PY 0.00141 -0.00126 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00105 55 4XX -0.00005 0.00001 0.00000 0.00000 0.00000 56 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 57 4ZZ -0.00003 0.00002 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00008 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00024 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00001 0.00000 0.00001 63 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 64 2PY 0.00001 0.00000 0.00003 0.00000 0.00001 65 2PZ 0.00001 0.00000 0.00002 0.00000 0.00000 66 3S -0.00001 0.00005 0.00006 0.00000 0.00007 67 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 68 3PY 0.00004 -0.00008 0.00007 0.00000 0.00004 69 3PZ 0.00001 0.00001 0.00002 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 -0.00003 -0.00001 -0.00003 82 3PX -0.00001 0.00004 -0.00001 0.00001 -0.00002 83 3PY 0.00001 0.00000 0.00001 -0.00001 0.00001 84 3PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00002 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 93 8 H 1S -0.00082 0.00259 0.00051 0.00090 0.00280 94 2S -0.00120 0.00297 0.00012 0.00013 0.00056 95 9 H 1S 0.00002 0.00000 0.00001 0.00000 0.00007 96 2S -0.00011 0.00009 0.00006 0.00000 0.00029 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00002 0.00000 0.00001 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00008 -0.00001 -0.00001 0.00000 0.00000 105 3PX 0.00029 0.00004 -0.00002 0.00000 0.00005 106 3PY 0.00032 -0.00008 0.00016 -0.00005 0.00005 107 3PZ 0.00006 -0.00001 0.00006 0.00001 0.00001 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 -0.00001 -0.00001 0.00000 0.00000 135 3PX -0.00002 -0.00005 0.00001 0.00000 0.00000 136 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 137 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 0.00000 0.00002 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00001 0.00004 0.00001 150 2PX -0.00002 0.00005 0.00004 0.00014 0.00001 151 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 152 2PZ 0.00000 -0.00001 0.00002 0.00003 0.00001 153 3S -0.00005 -0.00012 0.00003 0.00018 0.00003 154 3PX -0.00015 0.00027 0.00008 0.00026 0.00005 155 3PY 0.00000 -0.00002 0.00002 0.00002 0.00001 156 3PZ -0.00011 0.00005 0.00007 0.00002 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00005 -0.00002 0.00001 -0.00001 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00001 0.00004 0.00000 0.00000 0.00000 171 3PX -0.00002 0.00005 0.00000 0.00007 0.00000 172 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 173 3PZ -0.00003 0.00009 0.00000 0.00006 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00001 188 3PX -0.00001 -0.00001 0.00010 -0.00003 0.00006 189 3PY 0.00001 -0.00002 0.00000 0.00002 0.00000 190 3PZ 0.00000 0.00000 0.00006 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00001 0.00001 -0.00001 0.00000 205 3PX -0.00001 0.00001 0.00000 0.00000 0.00001 206 3PY 0.00000 0.00000 0.00000 -0.00001 0.00001 207 3PZ 0.00000 0.00002 0.00001 -0.00001 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05568 47 2S -0.01303 0.31926 48 2PX 0.00000 0.00000 0.35918 49 2PY 0.00000 0.00000 0.00000 0.42055 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.38844 51 3S -0.04301 0.27662 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.12383 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07432 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.11112 55 4XX -0.00101 -0.00763 0.00000 0.00000 0.00000 56 4YY -0.00130 -0.00138 0.00000 0.00000 0.00000 57 4ZZ -0.00124 -0.00297 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00030 -0.00077 -0.00045 -0.00057 62 2S -0.00030 0.00788 0.01434 0.00886 0.01088 63 2PX -0.00078 0.01386 0.00635 0.01399 0.02135 64 2PY -0.00041 0.00641 0.01358 0.00100 0.00844 65 2PZ -0.00053 0.00942 0.02140 0.00844 0.00194 66 3S 0.00054 0.00299 0.01337 0.00745 0.00960 67 3PX 0.00051 0.00086 0.00026 0.00173 0.00398 68 3PY 0.00051 0.00200 0.00515 0.00200 0.00286 69 3PZ 0.00034 -0.00069 0.00401 0.00096 0.00130 70 4XX -0.00003 0.00051 -0.00067 0.00091 0.00089 71 4YY 0.00001 -0.00027 -0.00008 -0.00037 -0.00030 72 4ZZ -0.00001 0.00004 0.00015 0.00028 -0.00043 73 4XY -0.00008 0.00110 0.00045 0.00012 0.00159 74 4XZ -0.00006 0.00079 0.00018 0.00081 -0.00009 75 4YZ -0.00007 0.00101 0.00190 0.00013 0.00015 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00007 -0.00016 0.00000 -0.00014 78 2PX 0.00000 -0.00014 -0.00015 0.00000 -0.00029 79 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 80 2PZ 0.00000 -0.00015 -0.00036 0.00000 -0.00020 81 3S 0.00010 -0.00259 -0.00360 0.00003 -0.00348 82 3PX 0.00007 -0.00159 -0.00076 0.00001 -0.00291 83 3PY 0.00000 -0.00002 -0.00006 -0.00039 -0.00006 84 3PZ 0.00006 -0.00146 -0.00285 0.00001 -0.00121 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00003 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00001 0.00002 0.00000 0.00002 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 93 8 H 1S 0.00000 -0.00018 -0.00003 -0.00052 -0.00007 94 2S 0.00021 -0.00300 -0.00045 -0.00609 -0.00122 95 9 H 1S -0.00201 0.03202 0.01165 0.02443 0.06301 96 2S -0.00093 0.01132 0.00749 0.01282 0.03868 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00011 0.00022 0.00002 0.00019 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00002 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 106 3PY 0.00000 0.00001 0.00000 0.00005 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00001 -0.00001 -0.00005 0.00000 116 2PX 0.00000 -0.00004 -0.00001 -0.00013 -0.00005 117 2PY 0.00000 -0.00003 -0.00007 -0.00012 -0.00002 118 2PZ 0.00000 -0.00003 -0.00005 -0.00006 0.00000 119 3S 0.00001 -0.00006 0.00009 -0.00186 0.00014 120 3PX 0.00006 -0.00130 -0.00011 -0.00277 -0.00104 121 3PY 0.00004 -0.00059 -0.00089 -0.00209 -0.00010 122 3PZ 0.00004 -0.00095 -0.00115 -0.00127 0.00002 123 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 124 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 126 4XY 0.00000 0.00000 0.00001 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00002 -0.00010 0.00000 0.00000 131 2PX 0.00000 -0.00006 -0.00023 -0.00001 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 134 3S 0.00003 -0.00069 -0.00216 -0.00006 -0.00014 135 3PX 0.00004 -0.00056 0.00004 0.00013 -0.00006 136 3PY 0.00000 -0.00009 -0.00016 -0.00003 0.00003 137 3PZ 0.00001 -0.00008 -0.00020 0.00011 -0.00023 138 4XX 0.00000 0.00000 0.00005 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00003 0.00021 0.00000 0.00002 146 15 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 147 2S 0.00000 -0.00005 -0.00048 -0.00011 0.00010 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00002 -0.00001 -0.00001 150 2PX 0.00000 0.00000 -0.00002 -0.00003 -0.00001 151 2PY 0.00000 -0.00001 -0.00003 -0.00002 -0.00001 152 2PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 153 3S 0.00000 -0.00003 -0.00061 0.00009 -0.00025 154 3PX 0.00000 -0.00008 -0.00076 -0.00077 -0.00047 155 3PY -0.00001 -0.00002 -0.00016 0.00038 0.00015 156 3PZ 0.00001 -0.00015 -0.00078 -0.00056 -0.00004 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 0.00001 0.00007 0.00001 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00002 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 170 3S 0.00000 -0.00001 -0.00008 -0.00011 -0.00011 171 3PX 0.00001 -0.00017 -0.00039 0.00009 -0.00107 172 3PY 0.00000 0.00000 -0.00013 -0.00001 -0.00029 173 3PZ 0.00001 -0.00018 -0.00066 -0.00013 -0.00066 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00017 0.00019 -0.00001 0.00011 184 2PX 0.00000 0.00022 0.00393 0.00020 0.00171 185 2PY 0.00000 0.00000 0.00014 -0.00004 0.00003 186 2PZ 0.00000 0.00003 0.00118 0.00005 0.00041 187 3S 0.00018 -0.00115 -0.00017 -0.00027 0.00147 188 3PX 0.00009 -0.00042 0.01076 0.00062 0.00628 189 3PY 0.00002 0.00011 0.00003 0.00059 0.00004 190 3PZ -0.00001 -0.00024 0.00604 0.00052 0.00024 191 4XX 0.00000 0.00004 0.00015 0.00002 0.00011 192 4YY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 193 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00001 194 4XY 0.00000 0.00000 0.00002 0.00001 0.00001 195 4XZ 0.00000 0.00005 0.00015 0.00002 0.00002 196 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 -0.00002 -0.00001 0.00000 198 2S 0.00002 -0.00029 -0.00100 -0.00067 -0.00032 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 201 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00001 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 -0.00001 -0.00002 0.00000 -0.00005 204 3S 0.00000 -0.00006 0.00054 0.00000 0.00012 205 3PX 0.00003 -0.00067 -0.00021 0.00000 -0.00046 206 3PY 0.00000 0.00000 0.00000 0.00002 0.00000 207 3PZ 0.00001 -0.00050 0.00030 0.00000 -0.00047 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00002 51 52 53 54 55 51 3S 0.55236 52 3PX 0.00000 0.14603 53 3PY 0.00000 0.00000 0.07151 54 3PZ 0.00000 0.00000 0.00000 0.11604 55 4XX -0.00565 0.00000 0.00000 0.00000 0.00093 56 4YY -0.00391 0.00000 0.00000 0.00000 -0.00004 57 4ZZ -0.00169 0.00000 0.00000 0.00000 0.00007 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00111 -0.00015 -0.00113 0.00030 -0.00003 62 2S -0.00103 0.00616 0.00854 0.00211 0.00057 63 2PX 0.02074 -0.00081 0.00925 0.01085 -0.00034 64 2PY 0.01426 0.00895 0.00172 0.00722 0.00042 65 2PZ 0.01511 0.01426 0.00590 -0.00214 0.00051 66 3S -0.02455 0.00660 0.00600 0.00097 0.00109 67 3PX -0.00730 0.00260 0.00242 0.00091 -0.00041 68 3PY -0.00764 0.00197 0.00028 -0.00076 0.00022 69 3PZ -0.00177 0.00411 0.00012 0.00136 0.00062 70 4XX 0.00353 -0.00091 0.00019 0.00192 0.00000 71 4YY -0.00167 0.00012 -0.00035 -0.00078 -0.00003 72 4ZZ 0.00038 0.00090 -0.00023 -0.00054 -0.00003 73 4XY 0.00143 -0.00001 0.00000 0.00052 0.00000 74 4XZ 0.00045 0.00000 0.00009 0.00003 -0.00001 75 4YZ 0.00113 0.00061 0.00001 -0.00001 -0.00006 76 6 C 1S 0.00013 0.00012 0.00000 0.00009 0.00000 77 2S -0.00287 -0.00238 0.00001 -0.00163 0.00000 78 2PX -0.00384 -0.00151 0.00005 -0.00209 0.00000 79 2PY -0.00003 -0.00001 -0.00041 -0.00001 0.00000 80 2PZ -0.00384 -0.00360 0.00004 -0.00144 0.00002 81 3S -0.02427 -0.00916 0.00001 -0.00688 0.00005 82 3PX -0.00849 -0.00104 0.00008 -0.00359 -0.00006 83 3PY -0.00001 -0.00011 -0.00287 -0.00008 0.00000 84 3PZ -0.00591 -0.00551 0.00007 -0.00113 0.00019 85 4XX 0.00013 0.00001 0.00000 0.00025 0.00000 86 4YY 0.00000 -0.00010 0.00000 -0.00007 0.00000 87 4ZZ 0.00007 0.00029 0.00000 0.00001 0.00000 88 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 89 4XZ 0.00004 0.00006 0.00000 0.00007 0.00000 90 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 92 2S -0.00040 -0.00008 -0.00002 -0.00021 0.00000 93 8 H 1S -0.00323 -0.00020 -0.00353 -0.00074 0.00000 94 2S -0.00506 -0.00093 -0.00598 -0.00293 0.00015 95 9 H 1S 0.04244 0.00669 0.00827 0.03508 -0.00082 96 2S -0.00197 0.00637 0.00645 0.03462 -0.00081 97 10 H 1S 0.00009 0.00012 0.00002 0.00009 0.00000 98 2S 0.00247 0.00208 0.00015 0.00158 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00003 0.00000 0.00000 101 2PX 0.00003 0.00000 0.00013 0.00000 0.00000 102 2PY 0.00006 0.00000 0.00013 0.00001 0.00000 103 2PZ 0.00002 -0.00001 0.00005 0.00000 0.00000 104 3S 0.00009 -0.00004 0.00025 0.00002 0.00000 105 3PX 0.00048 0.00000 0.00137 -0.00003 0.00000 106 3PY 0.00075 -0.00008 0.00109 0.00011 0.00000 107 3PZ 0.00028 -0.00012 0.00047 -0.00007 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00001 0.00000 0.00002 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 O 1S 0.00001 -0.00003 0.00002 -0.00002 0.00000 115 2S -0.00068 0.00023 0.00026 0.00011 0.00000 116 2PX -0.00412 -0.00006 0.00124 -0.00127 0.00000 117 2PY -0.00297 -0.00210 0.00122 -0.00132 0.00000 118 2PZ -0.00189 -0.00079 0.00049 -0.00012 0.00000 119 3S 0.00043 0.00241 -0.00225 0.00156 0.00000 120 3PX -0.01956 0.00002 0.00291 -0.00450 -0.00005 121 3PY -0.00982 -0.00553 0.00208 -0.00292 0.00002 122 3PZ -0.00927 -0.00329 0.00139 -0.00075 0.00007 123 4XX 0.00001 -0.00001 0.00005 0.00002 0.00000 124 4YY -0.00043 -0.00027 0.00027 -0.00019 0.00000 125 4ZZ 0.00012 0.00004 -0.00009 0.00000 0.00000 126 4XY -0.00026 0.00000 0.00019 -0.00006 0.00000 127 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 128 4YZ -0.00008 0.00002 0.00007 -0.00003 0.00000 129 13 C 1S 0.00003 0.00010 0.00000 0.00001 0.00000 130 2S -0.00077 -0.00190 0.00013 -0.00021 0.00001 131 2PX -0.00155 -0.00286 0.00024 -0.00043 0.00003 132 2PY 0.00020 0.00047 -0.00023 0.00002 0.00000 133 2PZ -0.00015 0.00008 0.00005 -0.00007 0.00000 134 3S -0.00414 -0.00739 0.00041 -0.00094 0.00010 135 3PX -0.00303 0.00007 0.00037 -0.00040 0.00023 136 3PY -0.00004 0.00055 -0.00055 -0.00004 0.00003 137 3PZ -0.00055 -0.00037 0.00024 -0.00038 0.00002 138 4XX 0.00018 0.00059 -0.00004 0.00008 0.00000 139 4YY -0.00001 -0.00016 0.00000 -0.00001 0.00000 140 4ZZ -0.00005 -0.00013 0.00001 -0.00001 0.00000 141 4XY 0.00002 0.00013 -0.00001 0.00002 0.00000 142 4XZ 0.00001 0.00005 0.00000 -0.00002 0.00000 143 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 144 14 H 1S 0.00002 0.00008 0.00000 0.00001 0.00000 145 2S 0.00059 0.00226 -0.00008 0.00029 -0.00001 146 15 H 1S -0.00057 -0.00056 0.00015 0.00013 0.00000 147 2S -0.00161 -0.00041 0.00006 0.00041 0.00002 148 16 C 1S 0.00000 0.00003 0.00000 0.00002 0.00000 149 2S -0.00052 -0.00096 -0.00039 -0.00062 0.00000 150 2PX -0.00015 -0.00065 -0.00046 -0.00037 0.00000 151 2PY -0.00074 -0.00088 -0.00063 -0.00032 0.00000 152 2PZ 0.00001 -0.00084 -0.00025 -0.00002 0.00000 153 3S -0.00137 -0.00338 -0.00007 -0.00207 0.00002 154 3PX 0.00048 -0.00247 -0.00102 -0.00187 -0.00003 155 3PY -0.00056 -0.00091 0.00038 0.00006 0.00002 156 3PZ -0.00070 -0.00357 -0.00175 0.00027 -0.00002 157 4XX 0.00003 0.00007 -0.00006 0.00006 0.00000 158 4YY 0.00002 -0.00008 0.00006 -0.00003 0.00000 159 4ZZ 0.00000 0.00007 -0.00002 0.00002 0.00000 160 4XY 0.00001 0.00002 0.00003 0.00001 0.00000 161 4XZ 0.00002 0.00008 -0.00002 0.00001 0.00000 162 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 163 17 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 164 2S 0.00050 0.00014 0.00115 0.00005 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00011 0.00002 -0.00003 -0.00013 0.00000 167 2PX -0.00021 -0.00049 0.00017 -0.00091 0.00000 168 2PY -0.00003 -0.00010 -0.00001 -0.00005 0.00000 169 2PZ -0.00033 -0.00040 0.00007 -0.00061 0.00000 170 3S -0.00120 -0.00054 -0.00125 -0.00078 -0.00001 171 3PX -0.00150 -0.00115 0.00087 -0.00469 0.00000 172 3PY -0.00044 -0.00089 -0.00005 -0.00111 -0.00001 173 3PZ -0.00213 -0.00329 -0.00032 -0.00267 -0.00001 174 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 175 4YY 0.00001 -0.00001 0.00001 0.00000 0.00000 176 4ZZ -0.00001 -0.00003 -0.00001 -0.00003 0.00000 177 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 179 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00013 -0.00002 -0.00013 0.00000 182 20 C 1S 0.00015 0.00013 0.00001 -0.00003 0.00000 183 2S 0.00026 -0.00087 -0.00050 0.00137 0.00005 184 2PX 0.00215 0.01103 0.00002 0.00775 0.00002 185 2PY 0.00045 0.00073 0.00095 0.00010 0.00002 186 2PZ 0.00016 0.00590 0.00001 0.00028 0.00010 187 3S 0.00009 -0.00485 -0.00075 0.00398 0.00030 188 3PX -0.00103 0.01406 0.00033 0.01234 0.00020 189 3PY -0.00029 -0.00010 0.00170 -0.00011 0.00003 190 3PZ 0.00174 0.01222 -0.00012 -0.00117 0.00035 191 4XX 0.00040 0.00080 0.00005 0.00048 0.00000 192 4YY -0.00028 -0.00048 0.00001 -0.00018 0.00000 193 4ZZ 0.00003 0.00017 0.00000 -0.00006 0.00000 194 4XY -0.00001 0.00001 0.00001 0.00002 0.00000 195 4XZ 0.00019 0.00029 0.00005 0.00002 -0.00001 196 4YZ 0.00000 0.00004 0.00002 0.00000 0.00000 197 21 H 1S -0.00050 -0.00111 0.00031 -0.00012 0.00000 198 2S -0.00547 -0.00510 0.00100 -0.00159 -0.00001 199 22 C 1S 0.00000 0.00001 0.00000 0.00002 0.00000 200 2S -0.00002 -0.00051 0.00000 -0.00048 0.00000 201 2PX -0.00062 -0.00015 0.00000 -0.00027 0.00000 202 2PY 0.00000 0.00000 -0.00002 0.00000 0.00000 203 2PZ -0.00024 -0.00111 0.00000 -0.00020 0.00000 204 3S 0.00205 0.00292 0.00000 0.00224 0.00000 205 3PX -0.00343 -0.00060 0.00001 -0.00162 0.00005 206 3PY 0.00000 0.00000 0.00037 -0.00001 0.00000 207 3PZ -0.00053 0.00020 0.00001 0.00004 0.00001 208 4XX 0.00000 -0.00001 0.00000 -0.00004 0.00000 209 4YY -0.00002 -0.00002 0.00000 -0.00004 0.00000 210 4ZZ 0.00002 0.00007 0.00000 0.00007 0.00000 211 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 212 4XZ 0.00002 0.00006 0.00000 0.00012 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00002 0.00000 -0.00003 0.00000 215 2S -0.00003 0.00019 -0.00002 -0.00019 0.00000 56 57 58 59 60 56 4YY 0.00091 57 4ZZ -0.00008 0.00090 58 4XY 0.00000 0.00000 0.00093 59 4XZ 0.00000 0.00000 0.00000 0.00064 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00124 61 5 C 1S 0.00000 -0.00001 -0.00006 -0.00006 -0.00004 62 2S -0.00026 0.00003 0.00090 0.00091 0.00061 63 2PX -0.00022 -0.00004 0.00042 0.00032 0.00097 64 2PY -0.00028 0.00001 0.00001 0.00095 0.00001 65 2PZ -0.00013 -0.00031 0.00094 0.00007 0.00011 66 3S -0.00059 0.00013 0.00028 0.00028 0.00033 67 3PX 0.00021 0.00045 0.00000 0.00000 0.00016 68 3PY 0.00014 -0.00039 -0.00008 0.00009 -0.00007 69 3PZ -0.00012 -0.00032 0.00010 0.00001 0.00002 70 4XX -0.00007 0.00001 -0.00001 -0.00001 -0.00006 71 4YY 0.00002 -0.00003 0.00000 -0.00006 0.00000 72 4ZZ -0.00004 0.00001 -0.00007 0.00001 -0.00002 73 4XY -0.00001 -0.00007 0.00002 0.00000 0.00001 74 4XZ -0.00004 0.00001 0.00000 0.00003 -0.00001 75 4YZ -0.00001 -0.00001 -0.00001 0.00002 0.00001 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00001 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00001 0.00000 0.00002 0.00000 81 3S -0.00001 0.00017 0.00000 0.00001 0.00000 82 3PX -0.00008 0.00032 0.00000 0.00006 0.00000 83 3PY 0.00000 0.00000 -0.00003 0.00000 -0.00003 84 3PZ -0.00008 0.00005 0.00000 0.00004 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00002 0.00000 0.00001 0.00000 0.00007 94 2S -0.00011 0.00009 0.00006 0.00000 0.00029 95 9 H 1S -0.00082 0.00259 0.00051 0.00090 0.00280 96 2S -0.00120 0.00297 0.00012 0.00013 0.00056 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00002 0.00000 0.00001 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00008 -0.00001 -0.00001 0.00000 0.00000 120 3PX 0.00029 0.00004 -0.00002 0.00000 0.00005 121 3PY 0.00032 -0.00008 0.00016 -0.00005 0.00005 122 3PZ 0.00006 -0.00001 0.00006 0.00001 0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 -0.00001 -0.00001 0.00000 0.00000 135 3PX -0.00002 -0.00005 0.00001 0.00000 0.00000 136 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 137 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 0.00000 0.00002 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00001 154 3PX -0.00001 -0.00001 0.00010 -0.00003 0.00006 155 3PY 0.00001 -0.00002 0.00000 0.00002 0.00000 156 3PZ 0.00000 0.00000 0.00006 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00001 0.00001 -0.00001 0.00000 171 3PX -0.00001 0.00001 0.00000 0.00000 0.00001 172 3PY 0.00000 0.00000 0.00000 -0.00001 0.00001 173 3PZ 0.00000 0.00002 0.00001 -0.00001 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00001 0.00004 0.00001 184 2PX -0.00002 0.00005 0.00004 0.00014 0.00001 185 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 186 2PZ 0.00000 -0.00001 0.00002 0.00003 0.00001 187 3S -0.00005 -0.00012 0.00003 0.00018 0.00003 188 3PX -0.00015 0.00028 0.00008 0.00026 0.00005 189 3PY 0.00000 -0.00002 0.00002 0.00002 0.00001 190 3PZ -0.00011 0.00005 0.00007 0.00002 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00005 -0.00002 0.00001 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00001 0.00004 0.00000 0.00000 0.00000 205 3PX -0.00002 0.00005 0.00000 0.00007 0.00000 206 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 207 3PZ -0.00003 0.00009 0.00000 0.00006 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05393 62 2S -0.01557 0.35893 63 2PX 0.00000 0.00000 0.35086 64 2PY 0.00000 0.00000 0.00000 0.42508 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.35655 66 3S -0.02739 0.20451 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.05640 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 -0.00514 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.05809 70 4XX -0.00093 -0.00981 0.00000 0.00000 0.00000 71 4YY -0.00120 -0.00270 0.00000 0.00000 0.00000 72 4ZZ -0.00093 -0.00970 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00026 -0.00049 -0.00043 -0.00073 77 2S -0.00028 0.00716 0.00884 0.00704 0.01360 78 2PX -0.00050 0.00949 0.00116 0.00852 0.01982 79 2PY -0.00046 0.00911 0.00881 0.00175 0.01424 80 2PZ -0.00073 0.01366 0.01914 0.01409 0.00750 81 3S 0.00113 -0.00317 0.01365 0.01453 0.01730 82 3PX 0.00035 0.00128 -0.00115 0.00654 0.01084 83 3PY -0.00108 0.00733 0.00670 0.00178 0.01041 84 3PZ 0.00024 0.00296 0.01048 0.01011 -0.00073 85 4XX -0.00001 0.00014 -0.00024 0.00012 0.00012 86 4YY 0.00000 -0.00020 -0.00008 -0.00032 -0.00011 87 4ZZ -0.00003 0.00057 0.00039 0.00045 -0.00040 88 4XY -0.00004 0.00062 0.00011 0.00004 0.00094 89 4XZ -0.00005 0.00076 0.00000 0.00088 0.00023 90 4YZ -0.00006 0.00093 0.00095 0.00004 0.00048 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00009 0.00008 0.00015 0.00013 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00009 0.00010 0.00012 0.00008 95 9 H 1S 0.00000 -0.00016 -0.00033 -0.00002 -0.00031 96 2S 0.00025 -0.00378 -0.00439 0.00010 -0.00468 97 10 H 1S 0.00000 -0.00015 -0.00028 -0.00002 -0.00036 98 2S 0.00025 -0.00361 -0.00428 0.00010 -0.00534 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 -0.00027 -0.00003 -0.00197 -0.00002 115 2S -0.00015 0.00376 0.00050 0.02844 0.00027 116 2PX -0.00003 0.00075 0.01505 0.00411 -0.00048 117 2PY -0.00177 0.04211 0.00405 0.09885 0.00215 118 2PZ -0.00002 0.00037 -0.00049 0.00208 0.01544 119 3S -0.00099 -0.01110 -0.00016 0.00932 -0.00011 120 3PX -0.00015 0.00108 0.02909 0.00357 -0.00053 121 3PY -0.00836 0.06336 0.00340 0.05263 0.00189 122 3PZ -0.00007 0.00057 -0.00054 0.00188 0.02851 123 4XX 0.00002 -0.00068 0.00005 -0.00080 -0.00002 124 4YY -0.00079 0.00759 0.00076 0.00902 0.00040 125 4ZZ 0.00001 -0.00070 -0.00002 -0.00090 0.00002 126 4XY -0.00004 0.00024 0.00379 0.00062 -0.00003 127 4XZ 0.00000 0.00000 0.00004 0.00002 0.00008 128 4YZ -0.00002 0.00010 -0.00003 0.00030 0.00403 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00003 0.00001 0.00000 135 3PX 0.00000 0.00000 -0.00002 0.00001 0.00000 136 3PY 0.00000 0.00001 0.00003 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00001 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 154 3PX 0.00000 0.00003 0.00000 0.00005 -0.00001 155 3PY 0.00000 -0.00001 -0.00004 -0.00001 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00003 0.00002 0.00000 -0.00001 171 3PX 0.00000 -0.00003 -0.00009 -0.00001 -0.00007 172 3PY 0.00000 0.00001 -0.00002 -0.00001 -0.00001 173 3PZ 0.00000 0.00002 0.00000 0.00001 -0.00002 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 184 2PX 0.00000 -0.00003 0.00000 -0.00001 0.00001 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S -0.00001 0.00002 -0.00054 -0.00007 -0.00008 188 3PX 0.00003 -0.00099 0.00068 -0.00017 0.00022 189 3PY 0.00000 -0.00002 0.00007 -0.00008 0.00001 190 3PZ 0.00000 -0.00008 -0.00012 0.00000 -0.00017 191 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 -0.00002 -0.00009 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 -0.00001 -0.00001 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 204 3S 0.00001 -0.00022 -0.00016 0.00005 0.00014 205 3PX 0.00001 -0.00051 -0.00054 -0.00013 -0.00001 206 3PY 0.00000 0.00002 -0.00010 0.00001 -0.00002 207 3PZ 0.00002 -0.00027 -0.00012 0.00002 0.00017 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00002 0.00008 0.00000 0.00005 66 67 68 69 70 66 3S 0.22048 67 3PX 0.00000 0.05211 68 3PY 0.00000 0.00000 0.03644 69 3PZ 0.00000 0.00000 0.00000 0.05180 70 4XX -0.00462 0.00000 0.00000 0.00000 0.00204 71 4YY -0.00426 0.00000 0.00000 0.00000 -0.00034 72 4ZZ -0.00435 0.00000 0.00000 0.00000 0.00030 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00008 0.00026 -0.00016 0.00020 0.00000 77 2S 0.00629 -0.00061 0.00445 0.00121 -0.00002 78 2PX 0.00956 0.00160 0.00363 0.00433 -0.00035 79 2PY 0.00842 0.00158 0.00200 0.00187 0.00019 80 2PZ 0.01502 0.00298 0.00642 0.00008 0.00008 81 3S -0.00861 -0.00053 -0.00371 -0.00732 0.00035 82 3PX 0.00231 0.00276 0.00017 0.00236 -0.00060 83 3PY 0.00501 0.00051 0.00063 0.00281 -0.00020 84 3PZ 0.00612 0.00291 0.00182 0.00150 0.00099 85 4XX 0.00030 -0.00029 -0.00027 0.00048 0.00000 86 4YY -0.00055 -0.00015 0.00012 0.00021 -0.00003 87 4ZZ 0.00077 0.00059 0.00003 -0.00044 0.00001 88 4XY 0.00035 0.00002 -0.00007 0.00016 -0.00001 89 4XZ 0.00024 0.00000 0.00003 0.00000 0.00000 90 4YZ 0.00044 0.00011 -0.00010 0.00000 -0.00009 91 7 H 1S 0.00009 0.00004 0.00003 0.00005 0.00000 92 2S 0.00131 0.00038 0.00031 0.00057 0.00000 93 8 H 1S 0.00008 0.00004 0.00000 0.00002 0.00000 94 2S 0.00099 0.00045 -0.00012 0.00030 0.00000 95 9 H 1S -0.00246 -0.00089 -0.00043 0.00003 0.00001 96 2S -0.00885 -0.00225 -0.00085 0.00093 0.00009 97 10 H 1S -0.00263 0.00005 -0.00052 -0.00111 0.00002 98 2S -0.01118 0.00052 -0.00117 -0.00275 0.00043 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00001 0.00000 0.00006 0.00000 0.00000 105 3PX 0.00000 0.00002 0.00000 0.00000 0.00000 106 3PY -0.00002 0.00000 -0.00016 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00152 0.00000 0.00011 0.00000 0.00001 115 2S -0.02248 -0.00017 -0.01278 -0.00001 -0.00063 116 2PX 0.00081 0.02075 -0.00030 -0.00013 0.00021 117 2PY 0.02241 0.00035 -0.00514 0.00029 -0.00137 118 2PZ 0.00017 -0.00013 -0.00005 0.02061 0.00000 119 3S -0.07475 -0.00055 -0.01897 -0.00026 -0.00225 120 3PX 0.00174 0.04686 -0.00053 -0.00020 -0.00017 121 3PY 0.04166 0.00055 -0.00168 0.00042 -0.00386 122 3PZ 0.00026 -0.00020 -0.00008 0.04604 0.00002 123 4XX -0.00042 -0.00005 0.00118 -0.00002 0.00005 124 4YY 0.00583 0.00017 -0.00178 0.00011 -0.00023 125 4ZZ -0.00051 0.00000 0.00118 -0.00002 0.00002 126 4XY 0.00007 0.00140 -0.00001 -0.00001 0.00003 127 4XZ 0.00000 0.00002 0.00000 0.00004 0.00000 128 4YZ 0.00003 -0.00001 0.00000 0.00141 -0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00001 0.00000 0.00001 0.00000 0.00000 131 2PX 0.00002 -0.00002 0.00003 0.00001 0.00000 132 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00015 0.00044 0.00009 0.00000 0.00000 135 3PX 0.00002 -0.00004 0.00024 0.00003 0.00000 136 3PY 0.00008 0.00025 0.00001 0.00001 0.00000 137 3PZ -0.00003 0.00004 -0.00002 0.00008 0.00000 138 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 146 15 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 147 2S 0.00009 0.00014 0.00009 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00000 0.00001 0.00000 0.00000 150 2PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 151 2PY 0.00000 -0.00002 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00007 -0.00021 0.00004 -0.00001 0.00000 154 3PX -0.00003 -0.00013 0.00007 -0.00004 0.00000 155 3PY 0.00001 -0.00027 -0.00005 -0.00002 0.00000 156 3PZ 0.00000 -0.00001 0.00001 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00001 0.00001 -0.00001 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00001 0.00001 0.00003 0.00000 0.00000 167 2PX 0.00000 -0.00004 -0.00008 -0.00006 0.00000 168 2PY -0.00002 -0.00001 0.00001 0.00000 0.00000 169 2PZ 0.00002 0.00001 -0.00001 -0.00001 0.00000 170 3S 0.00008 0.00012 0.00030 0.00007 0.00000 171 3PX -0.00003 -0.00029 -0.00055 -0.00043 -0.00002 172 3PY -0.00017 -0.00015 0.00006 0.00002 -0.00001 173 3PZ 0.00012 0.00000 -0.00002 -0.00004 -0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00001 -0.00003 -0.00002 0.00001 0.00000 182 20 C 1S 0.00001 0.00003 0.00000 0.00000 0.00000 183 2S -0.00024 -0.00079 -0.00006 -0.00001 0.00000 184 2PX -0.00001 0.00033 -0.00027 0.00007 0.00002 185 2PY -0.00001 -0.00010 -0.00004 0.00001 0.00000 186 2PZ 0.00004 0.00003 0.00000 0.00004 0.00000 187 3S -0.00053 -0.00382 -0.00016 -0.00016 0.00003 188 3PX 0.00046 0.00283 -0.00069 0.00028 0.00039 189 3PY -0.00003 0.00007 -0.00008 0.00004 0.00001 190 3PZ 0.00006 -0.00012 -0.00003 0.00012 0.00004 191 4XX 0.00003 0.00013 -0.00001 0.00001 0.00000 192 4YY 0.00000 -0.00004 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00004 -0.00029 -0.00001 0.00000 0.00000 198 2S -0.00025 -0.00033 -0.00015 0.00000 -0.00003 199 22 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 200 2S -0.00009 -0.00014 -0.00002 -0.00006 0.00000 201 2PX 0.00022 0.00000 -0.00031 -0.00022 0.00000 202 2PY 0.00002 -0.00004 0.00002 0.00000 0.00000 203 2PZ -0.00009 -0.00008 -0.00012 0.00000 0.00000 204 3S -0.00048 -0.00018 -0.00028 -0.00012 0.00004 205 3PX 0.00098 -0.00029 -0.00113 -0.00095 -0.00001 206 3PY -0.00002 -0.00027 0.00001 -0.00002 -0.00001 207 3PZ -0.00014 0.00040 -0.00044 0.00011 0.00002 208 4XX 0.00001 0.00002 0.00001 0.00001 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 211 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 212 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00003 -0.00001 0.00000 -0.00005 0.00000 215 2S 0.00042 0.00037 0.00000 0.00008 0.00000 71 72 73 74 75 71 4YY 0.00224 72 4ZZ -0.00029 0.00197 73 4XY 0.00000 0.00000 0.00341 74 4XZ 0.00000 0.00000 0.00000 0.00061 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00360 76 6 C 1S 0.00001 -0.00003 -0.00006 -0.00005 -0.00008 77 2S -0.00023 0.00060 0.00101 0.00073 0.00129 78 2PX -0.00010 0.00073 0.00013 -0.00007 0.00161 79 2PY -0.00042 0.00095 0.00020 0.00076 0.00021 80 2PZ -0.00019 -0.00054 0.00179 0.00015 0.00059 81 3S -0.00104 0.00290 0.00108 0.00032 0.00148 82 3PX -0.00024 0.00159 -0.00003 0.00004 0.00047 83 3PY -0.00026 0.00007 -0.00001 0.00009 0.00000 84 3PZ -0.00029 -0.00044 0.00049 0.00000 -0.00001 85 4XX -0.00002 0.00001 -0.00001 0.00000 -0.00005 86 4YY 0.00002 -0.00006 -0.00001 -0.00003 -0.00001 87 4ZZ -0.00005 0.00000 -0.00004 0.00001 -0.00001 88 4XY 0.00000 -0.00009 0.00002 0.00001 -0.00001 89 4XZ -0.00007 0.00002 0.00001 0.00003 0.00001 90 4YZ 0.00000 -0.00001 -0.00002 -0.00002 0.00003 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 0.00000 0.00001 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00001 0.00000 0.00001 0.00000 0.00000 95 9 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 96 2S -0.00018 0.00073 -0.00005 0.00015 -0.00004 97 10 H 1S -0.00001 0.00004 0.00000 0.00004 0.00000 98 2S -0.00022 0.00034 -0.00004 0.00013 -0.00005 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00072 0.00001 -0.00003 0.00000 -0.00001 115 2S 0.00793 -0.00062 0.00036 0.00002 0.00015 116 2PX 0.00061 0.00000 0.00613 0.00003 0.00012 117 2PY 0.00192 -0.00143 0.00072 0.00004 0.00025 118 2PZ 0.00025 0.00009 0.00012 0.00010 0.00684 119 3S 0.01144 -0.00225 0.00018 0.00001 0.00007 120 3PX 0.00055 0.00006 0.00682 0.00003 0.00006 121 3PY 0.00112 -0.00429 0.00018 0.00002 0.00006 122 3PZ 0.00022 -0.00007 0.00006 0.00010 0.00737 123 4XX -0.00010 0.00002 0.00002 0.00000 0.00000 124 4YY -0.00008 -0.00025 0.00008 0.00000 0.00003 125 4ZZ -0.00011 0.00006 0.00000 0.00000 0.00001 126 4XY 0.00006 -0.00001 0.00054 0.00001 0.00000 127 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 128 4YZ 0.00002 0.00001 0.00000 0.00002 0.00060 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX 0.00001 0.00001 -0.00001 0.00000 -0.00001 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 -0.00002 0.00001 0.00001 0.00000 188 3PX -0.00004 -0.00012 0.00001 0.00002 0.00001 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ -0.00001 0.00000 0.00000 -0.00001 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00001 0.00000 0.00002 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00001 0.00001 0.00001 0.00001 0.00001 205 3PX 0.00001 0.00000 0.00000 0.00006 0.00001 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ -0.00001 0.00001 0.00000 0.00001 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05475 77 2S -0.01447 0.33271 78 2PX 0.00000 0.00000 0.36086 79 2PY 0.00000 0.00000 0.00000 0.44125 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.37300 81 3S -0.03653 0.25913 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.10876 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.06839 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.10537 85 4XX -0.00118 -0.00616 0.00000 0.00000 0.00000 86 4YY -0.00144 -0.00041 0.00000 0.00000 0.00000 87 4ZZ -0.00126 -0.00467 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00021 -0.00005 -0.00064 -0.00008 92 2S 0.00021 -0.00302 -0.00085 -0.00723 -0.00121 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 -0.00001 0.00001 0.00000 -0.00002 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00012 0.00021 0.00003 0.00020 97 10 H 1S -0.00203 0.03238 0.03260 0.02842 0.03885 98 2S -0.00099 0.01091 0.02045 0.01518 0.02409 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00001 0.00000 0.00003 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00001 -0.00001 106 3PY 0.00000 0.00002 0.00001 0.00007 0.00000 107 3PZ 0.00000 0.00001 -0.00001 0.00002 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00002 0.00000 -0.00006 -0.00002 116 2PX 0.00000 -0.00002 0.00000 -0.00006 -0.00003 117 2PY 0.00000 -0.00004 -0.00003 -0.00016 -0.00008 118 2PZ 0.00000 -0.00005 -0.00004 -0.00015 -0.00002 119 3S 0.00000 -0.00005 0.00017 -0.00222 0.00014 120 3PX 0.00003 -0.00084 0.00011 -0.00123 -0.00080 121 3PY 0.00004 -0.00084 -0.00020 -0.00276 -0.00100 122 3PZ 0.00006 -0.00155 -0.00080 -0.00300 -0.00021 123 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 124 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00007 0.00000 0.00001 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00001 -0.00001 0.00000 171 3PX 0.00000 -0.00006 0.00000 -0.00001 0.00001 172 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00001 0.00000 -0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 -0.00001 -0.00006 0.00000 0.00000 188 3PX 0.00000 0.00000 -0.00019 0.00000 0.00004 189 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 -0.00001 0.00009 0.00000 0.00000 205 3PX 0.00000 -0.00016 0.00017 0.00000 0.00004 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00007 0.00000 -0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00003 0.00000 0.00003 81 82 83 84 85 81 3S 0.46611 82 3PX 0.00000 0.11496 83 3PY 0.00000 0.00000 0.06208 84 3PZ 0.00000 0.00000 0.00000 0.10580 85 4XX -0.00366 0.00000 0.00000 0.00000 0.00068 86 4YY -0.00280 0.00000 0.00000 0.00000 -0.00004 87 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00014 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00358 -0.00029 -0.00303 -0.00051 0.00000 92 2S -0.00543 -0.00154 -0.00623 -0.00201 0.00012 93 8 H 1S 0.00000 0.00000 0.00001 -0.00001 0.00000 94 2S -0.00028 0.00006 -0.00002 -0.00026 0.00000 95 9 H 1S 0.00008 0.00009 0.00003 0.00010 0.00000 96 2S 0.00231 0.00172 0.00023 0.00147 -0.00001 97 10 H 1S 0.04278 0.01618 0.00928 0.01972 0.00021 98 2S 0.00482 0.01602 0.00680 0.01826 0.00096 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00003 -0.00001 0.00000 101 2PX 0.00001 -0.00001 0.00005 -0.00002 0.00000 102 2PY 0.00009 0.00002 0.00017 -0.00001 0.00000 103 2PZ 0.00004 -0.00001 0.00015 0.00000 0.00000 104 3S 0.00006 -0.00002 0.00034 -0.00004 0.00000 105 3PX 0.00021 -0.00020 0.00050 -0.00017 0.00000 106 3PY 0.00104 0.00021 0.00139 -0.00010 0.00000 107 3PZ 0.00059 -0.00012 0.00145 -0.00002 0.00000 108 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 109 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00001 0.00000 0.00002 0.00000 0.00000 114 12 O 1S 0.00001 -0.00002 0.00001 -0.00004 0.00000 115 2S -0.00066 0.00018 0.00054 0.00021 0.00000 116 2PX -0.00154 0.00005 0.00038 -0.00038 0.00000 117 2PY -0.00352 -0.00127 0.00166 -0.00272 0.00000 118 2PZ -0.00400 -0.00075 0.00162 -0.00008 0.00000 119 3S 0.00073 0.00172 -0.00223 0.00285 0.00000 120 3PX -0.00765 0.00022 0.00100 -0.00176 -0.00001 121 3PY -0.01265 -0.00293 0.00284 -0.00710 -0.00008 122 3PZ -0.01873 -0.00275 0.00413 0.00017 0.00003 123 4XX 0.00011 0.00000 -0.00010 0.00002 0.00000 124 4YY -0.00053 -0.00020 0.00037 -0.00036 0.00000 125 4ZZ 0.00001 0.00003 0.00004 -0.00001 0.00000 126 4XY -0.00005 -0.00002 0.00006 0.00003 0.00000 127 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 128 4YZ -0.00026 -0.00002 0.00023 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00001 0.00000 0.00000 0.00000 135 3PX 0.00001 0.00008 -0.00001 -0.00001 0.00000 136 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 137 3PZ 0.00001 0.00002 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 -0.00003 0.00000 0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00006 -0.00008 0.00001 0.00000 0.00000 154 3PX -0.00019 -0.00075 -0.00008 0.00016 0.00000 155 3PY -0.00009 -0.00013 -0.00001 0.00000 0.00000 156 3PZ 0.00002 0.00003 -0.00002 0.00002 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00001 -0.00001 -0.00002 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00001 -0.00006 -0.00001 -0.00001 0.00000 167 2PX 0.00001 0.00001 0.00001 -0.00002 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 170 3S -0.00010 -0.00004 0.00000 0.00003 0.00000 171 3PX 0.00000 0.00075 -0.00005 0.00005 0.00000 172 3PY 0.00004 0.00014 0.00000 0.00001 0.00000 173 3PZ -0.00002 0.00012 0.00001 -0.00007 0.00000 174 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 181 2S 0.00005 0.00005 0.00005 -0.00001 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00002 0.00000 0.00000 0.00000 184 2PX 0.00005 -0.00010 0.00000 0.00002 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S -0.00011 -0.00053 -0.00007 -0.00001 0.00000 188 3PX 0.00083 -0.00133 -0.00008 0.00030 0.00001 189 3PY 0.00007 -0.00004 0.00004 0.00001 0.00000 190 3PZ -0.00005 -0.00005 -0.00001 0.00004 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00009 0.00001 -0.00003 0.00002 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00002 -0.00010 0.00000 -0.00002 0.00000 201 2PX 0.00013 0.00017 0.00000 -0.00001 0.00000 202 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 203 2PZ 0.00002 0.00002 0.00000 0.00001 0.00000 204 3S 0.00022 0.00073 0.00000 -0.00004 0.00000 205 3PX 0.00104 0.00180 -0.00001 0.00018 0.00000 206 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 207 3PZ 0.00011 0.00039 0.00000 -0.00006 0.00000 208 4XX 0.00000 0.00002 0.00000 0.00000 0.00000 209 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 210 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 215 2S -0.00015 0.00035 0.00004 0.00027 0.00000 86 87 88 89 90 86 4YY 0.00077 87 4ZZ -0.00007 0.00072 88 4XY 0.00000 0.00000 0.00111 89 4XZ 0.00000 0.00000 0.00000 0.00067 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00126 91 7 H 1S 0.00002 0.00000 0.00005 0.00000 0.00005 92 2S -0.00012 0.00014 0.00019 0.00000 0.00022 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S -0.00060 0.00043 0.00166 0.00174 0.00206 98 2S -0.00097 0.00106 0.00035 0.00026 0.00044 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00002 0.00000 0.00000 0.00000 0.00001 118 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 119 3S 0.00006 -0.00001 0.00000 0.00000 -0.00001 120 3PX 0.00005 0.00004 0.00004 0.00000 0.00008 121 3PY 0.00037 -0.00001 0.00002 -0.00005 0.00019 122 3PZ 0.00025 -0.00005 0.00008 0.00000 -0.00003 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX -0.00001 0.00000 0.00000 0.00001 0.00000 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21482 92 2S 0.10332 0.14022 93 8 H 1S 0.00000 0.00000 0.21431 94 2S 0.00000 -0.00015 0.10262 0.13785 95 9 H 1S 0.00000 0.00000 -0.00001 -0.00093 0.21431 96 2S 0.00000 0.00002 -0.00093 -0.00487 0.10262 97 10 H 1S -0.00001 -0.00091 0.00000 0.00000 0.00000 98 2S -0.00091 -0.00512 0.00000 0.00002 0.00000 99 11 O 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 100 2S 0.00000 0.00016 0.00000 0.00013 0.00000 101 2PX 0.00000 0.00042 0.00000 0.00034 0.00000 102 2PY 0.00000 -0.00060 0.00000 -0.00057 0.00000 103 2PZ 0.00000 0.00035 0.00000 0.00047 0.00000 104 3S -0.00017 0.00044 -0.00013 0.00056 0.00000 105 3PX -0.00004 0.00240 0.00000 0.00221 0.00000 106 3PY -0.00020 -0.00275 -0.00022 -0.00271 0.00000 107 3PZ -0.00023 0.00227 -0.00025 0.00261 0.00000 108 4XX 0.00000 0.00004 0.00000 0.00002 0.00000 109 4YY 0.00000 -0.00011 0.00000 -0.00010 0.00000 110 4ZZ 0.00000 0.00005 0.00000 0.00004 0.00000 111 4XY 0.00000 0.00000 0.00000 -0.00002 0.00000 112 4XZ 0.00000 0.00001 0.00000 0.00001 0.00000 113 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 -0.00001 0.00000 -0.00001 -0.00013 120 3PX 0.00000 -0.00001 0.00000 -0.00002 0.00000 121 3PY 0.00000 -0.00003 0.00000 -0.00002 -0.00022 122 3PZ 0.00000 -0.00002 0.00000 -0.00001 -0.00025 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 -0.00008 0.00000 131 2PX 0.00000 0.00000 0.00000 -0.00015 0.00000 132 2PY 0.00000 0.00000 0.00000 -0.00016 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 134 3S 0.00000 0.00000 -0.00012 -0.00023 -0.00012 135 3PX 0.00000 0.00000 -0.00012 -0.00038 -0.00012 136 3PY 0.00000 0.00000 -0.00015 -0.00057 -0.00015 137 3PZ 0.00000 0.00000 -0.00037 -0.00079 -0.00037 138 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 141 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00001 0.00004 0.00001 146 15 H 1S 0.00000 0.00000 0.00000 0.00003 0.00000 147 2S 0.00000 0.00000 0.00020 0.00128 0.00020 148 16 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 149 2S 0.00000 0.00000 -0.00002 -0.00031 0.00000 150 2PX 0.00000 0.00000 -0.00001 -0.00018 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 -0.00005 -0.00112 0.00000 153 3S 0.00000 0.00001 -0.00098 -0.00381 0.00001 154 3PX 0.00000 -0.00006 -0.00065 -0.00146 0.00005 155 3PY 0.00000 0.00000 0.00002 0.00002 -0.00006 156 3PZ 0.00000 0.00001 0.00013 -0.00024 0.00005 157 4XX 0.00000 0.00000 0.00000 -0.00003 0.00000 158 4YY 0.00000 0.00000 0.00000 -0.00002 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00012 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00001 0.00004 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 -0.00017 0.00000 164 2S 0.00000 0.00000 -0.00016 0.00017 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00003 0.00000 167 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00007 0.00000 170 3S 0.00000 -0.00004 0.00002 0.00026 0.00000 171 3PX 0.00000 -0.00004 -0.00003 -0.00014 0.00000 172 3PY 0.00000 -0.00001 0.00001 0.00011 0.00001 173 3PZ 0.00000 0.00000 0.00002 0.00042 0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00006 0.00000 -0.00005 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00001 -0.00002 184 2PX 0.00000 0.00000 0.00000 0.00004 -0.00001 185 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00004 -0.00005 187 3S 0.00000 0.00000 0.00001 0.00003 -0.00098 188 3PX 0.00000 0.00001 0.00005 0.00041 -0.00065 189 3PY 0.00000 0.00000 -0.00006 -0.00049 0.00002 190 3PZ 0.00000 0.00000 0.00005 0.00045 0.00013 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00007 -0.00016 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 204 3S 0.00000 0.00001 0.00000 0.00008 0.00002 205 3PX 0.00000 0.00005 0.00000 0.00012 -0.00003 206 3PY 0.00000 0.00000 0.00001 0.00014 0.00001 207 3PZ 0.00000 0.00000 0.00001 0.00022 0.00002 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.13785 97 10 H 1S 0.00000 0.21482 98 2S -0.00015 0.10331 0.14022 99 11 O 1S 0.00000 0.00000 0.00000 2.07870 100 2S 0.00000 0.00000 0.00000 -0.04263 0.50228 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00001 0.00000 -0.00001 -0.04096 0.45744 105 3PX -0.00002 0.00000 -0.00001 0.00000 0.00000 106 3PY -0.00002 0.00000 -0.00003 0.00000 0.00000 107 3PZ -0.00001 0.00000 -0.00002 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00042 -0.00520 109 4YY 0.00000 0.00000 0.00000 -0.00035 -0.00609 110 4ZZ 0.00000 0.00000 0.00000 -0.00041 -0.00532 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00001 0.00000 -0.00001 0.00000 0.00000 115 2S 0.00013 0.00000 0.00016 0.00000 0.00000 116 2PX 0.00034 0.00000 0.00042 0.00000 0.00000 117 2PY -0.00057 0.00000 -0.00060 0.00000 0.00000 118 2PZ 0.00047 0.00000 0.00035 0.00000 0.00000 119 3S 0.00056 -0.00017 0.00044 0.00000 0.00000 120 3PX 0.00221 -0.00004 0.00240 0.00000 0.00000 121 3PY -0.00271 -0.00020 -0.00275 0.00000 0.00000 122 3PZ 0.00261 -0.00023 0.00227 0.00000 0.00000 123 4XX 0.00002 0.00000 0.00004 0.00000 0.00000 124 4YY -0.00010 0.00000 -0.00011 0.00000 0.00000 125 4ZZ 0.00004 0.00000 0.00005 0.00000 0.00000 126 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00008 0.00000 0.00000 0.00000 0.00000 131 2PX -0.00015 0.00000 0.00000 0.00000 0.00000 132 2PY -0.00016 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 134 3S -0.00023 0.00000 0.00000 0.00000 0.00000 135 3PX -0.00039 0.00000 0.00000 0.00000 0.00000 136 3PY -0.00057 0.00000 0.00000 0.00000 0.00000 137 3PZ -0.00079 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 139 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 141 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00004 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 147 2S 0.00128 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00004 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00004 0.00000 0.00000 0.00000 0.00000 153 3S 0.00003 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00041 0.00000 0.00001 0.00000 0.00006 155 3PY -0.00049 0.00000 0.00000 0.00000 -0.00001 156 3PZ 0.00045 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00007 0.00000 0.00000 0.00000 0.00002 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 170 3S 0.00008 0.00000 0.00001 0.00000 0.00000 171 3PX 0.00012 0.00000 0.00005 0.00000 0.00000 172 3PY 0.00014 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00022 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 183 2S -0.00031 0.00000 0.00000 0.00000 0.00000 184 2PX -0.00018 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ -0.00112 0.00000 0.00000 0.00000 0.00000 187 3S -0.00381 0.00000 0.00001 0.00000 0.00000 188 3PX -0.00146 0.00000 -0.00006 0.00000 0.00000 189 3PY 0.00002 0.00000 0.00000 0.00000 0.00000 190 3PZ -0.00024 0.00000 0.00001 0.00000 0.00000 191 4XX -0.00003 0.00000 0.00000 0.00000 0.00000 192 4YY -0.00002 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00012 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00004 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00017 0.00000 0.00000 0.00000 0.00000 198 2S 0.00017 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00003 0.00000 0.00000 0.00000 0.00000 201 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00007 0.00000 0.00000 0.00000 0.00000 204 3S 0.00026 0.00000 -0.00004 0.00000 0.00000 205 3PX -0.00014 0.00000 -0.00004 0.00000 0.00000 206 3PY 0.00011 0.00000 -0.00001 0.00000 0.00000 207 3PZ 0.00042 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00005 0.00000 0.00006 0.00000 0.00000 101 102 103 104 105 101 2PX 0.68659 102 2PY 0.00000 0.60049 103 2PZ 0.00000 0.00000 0.70008 104 3S 0.00000 0.00000 0.00000 0.76575 105 3PX 0.23519 0.00000 0.00000 0.00000 0.32257 106 3PY 0.00000 0.16423 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.24003 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00710 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.01650 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00724 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00001 0.00005 135 3PX 0.00000 0.00000 0.00000 0.00001 0.00003 136 3PY 0.00000 0.00000 0.00000 0.00001 0.00004 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 150 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00021 151 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 153 3S -0.00008 0.00004 0.00000 -0.00023 -0.00078 154 3PX -0.00006 0.00002 -0.00005 -0.00027 -0.00066 155 3PY -0.00005 -0.00001 0.00001 0.00005 -0.00038 156 3PZ -0.00005 0.00000 0.00001 -0.00006 -0.00036 157 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00022 -0.00001 0.00000 0.00030 0.00202 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00002 -0.00001 -0.00001 -0.00005 -0.00032 171 3PX -0.00001 0.00001 -0.00002 -0.00028 -0.00009 172 3PY 0.00001 0.00000 0.00000 0.00000 0.00009 173 3PZ -0.00001 -0.00001 0.00000 -0.00007 -0.00013 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00001 0.00000 -0.00001 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 189 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00001 205 3PX 0.00000 0.00000 0.00000 -0.00001 0.00002 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 3PY 0.18078 107 3PZ 0.00000 0.32940 108 4XX 0.00000 0.00000 0.00051 109 4YY 0.00000 0.00000 -0.00006 0.00322 110 4ZZ 0.00000 0.00000 0.00014 -0.00005 0.00049 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00001 -0.00003 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00032 -0.00004 0.00000 0.00001 0.00000 154 3PX -0.00003 -0.00040 0.00003 0.00001 0.00000 155 3PY -0.00006 0.00010 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00017 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00005 -0.00002 0.00000 -0.00001 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00006 -0.00009 0.00000 0.00000 0.00000 171 3PX -0.00003 -0.00026 0.00001 0.00000 0.00000 172 3PY 0.00001 0.00001 0.00000 0.00000 0.00000 173 3PZ -0.00010 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00003 0.00008 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX -0.00001 0.00002 0.00000 0.00000 0.00000 206 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 4XY 0.00188 112 4XZ 0.00000 0.00009 113 4YZ 0.00000 0.00000 0.00187 114 12 O 1S 0.00000 0.00000 0.00000 2.07870 115 2S 0.00000 0.00000 0.00000 -0.04263 0.50228 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 -0.04096 0.45743 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00042 -0.00520 124 4YY 0.00000 0.00000 0.00000 -0.00035 -0.00609 125 4ZZ 0.00000 0.00000 0.00000 -0.00041 -0.00532 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00001 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00006 189 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00002 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 2PX 0.68661 117 2PY 0.00000 0.60050 118 2PZ 0.00000 0.00000 0.70006 119 3S 0.00000 0.00000 0.00000 0.76574 120 3PX 0.23518 0.00000 0.00000 0.00000 0.32256 121 3PY 0.00000 0.16423 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.24002 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00710 0.00000 124 4YY 0.00000 0.00000 0.00000 -0.01650 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00724 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00001 0.00005 135 3PX 0.00000 0.00000 0.00000 0.00001 0.00003 136 3PY 0.00000 0.00000 0.00000 0.00001 0.00004 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00001 171 3PX 0.00000 0.00000 0.00000 -0.00001 0.00002 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 184 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00021 185 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 186 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 187 3S -0.00008 0.00004 0.00000 -0.00023 -0.00078 188 3PX -0.00006 0.00002 -0.00005 -0.00027 -0.00066 189 3PY -0.00005 -0.00001 0.00001 0.00005 -0.00038 190 3PZ -0.00005 0.00000 0.00001 -0.00006 -0.00036 191 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00022 -0.00001 0.00000 0.00030 0.00202 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00002 -0.00001 -0.00001 -0.00005 -0.00032 205 3PX -0.00001 0.00001 -0.00002 -0.00028 -0.00009 206 3PY 0.00001 0.00000 0.00000 0.00000 0.00009 207 3PZ -0.00001 -0.00001 0.00000 -0.00007 -0.00013 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00001 0.00000 -0.00001 121 122 123 124 125 121 3PY 0.18080 122 3PZ 0.00000 0.32939 123 4XX 0.00000 0.00000 0.00051 124 4YY 0.00000 0.00000 -0.00006 0.00322 125 4ZZ 0.00000 0.00000 0.00014 -0.00005 0.00049 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX -0.00001 0.00002 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00001 -0.00003 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00032 -0.00004 0.00000 0.00001 0.00000 188 3PX -0.00003 -0.00040 0.00003 0.00001 0.00000 189 3PY -0.00006 0.00010 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00017 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00005 -0.00002 0.00000 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00006 -0.00009 0.00000 0.00000 0.00000 205 3PX -0.00003 -0.00026 0.00001 0.00000 0.00000 206 3PY 0.00001 0.00001 0.00000 0.00000 0.00000 207 3PZ -0.00010 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00003 0.00008 0.00000 0.00000 0.00000 126 127 128 129 130 126 4XY 0.00188 127 4XZ 0.00000 0.00009 128 4YZ 0.00000 0.00000 0.00187 129 13 C 1S 0.00000 0.00000 0.00000 2.05187 130 2S 0.00000 0.00000 0.00000 -0.01211 0.31100 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.03511 0.23760 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00137 -0.00114 139 4YY 0.00000 0.00000 0.00000 -0.00112 -0.00570 140 4ZZ 0.00000 0.00000 0.00000 -0.00146 0.00043 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 -0.00160 0.02653 145 2S 0.00000 0.00000 0.00000 -0.00024 0.00613 146 15 H 1S 0.00000 0.00000 0.00000 -0.00182 0.02934 147 2S 0.00000 0.00000 0.00000 -0.00076 0.01040 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 149 2S 0.00000 0.00000 0.00000 -0.00019 0.00531 150 2PX 0.00000 0.00000 0.00000 -0.00026 0.00468 151 2PY 0.00000 0.00000 0.00000 -0.00075 0.01423 152 2PZ 0.00000 0.00000 0.00000 -0.00032 0.00662 153 3S 0.00000 0.00000 0.00000 -0.00002 0.00557 154 3PX 0.00000 0.00000 0.00000 -0.00012 0.00210 155 3PY 0.00000 0.00000 0.00000 -0.00075 0.00991 156 3PZ 0.00000 0.00000 0.00000 -0.00009 0.00281 157 4XX 0.00000 0.00000 0.00000 0.00000 -0.00005 158 4YY 0.00000 0.00000 0.00000 -0.00003 0.00074 159 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00024 160 4XY 0.00000 0.00000 0.00000 -0.00005 0.00077 161 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00030 162 4YZ 0.00000 0.00000 0.00000 -0.00005 0.00089 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00008 164 2S 0.00000 0.00000 0.00000 0.00009 -0.00158 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 167 2PX 0.00000 0.00000 0.00000 0.00000 -0.00018 168 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 169 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00027 170 3S 0.00000 0.00000 0.00000 0.00013 -0.00244 171 3PX 0.00000 0.00000 0.00000 0.00009 -0.00176 172 3PY 0.00000 0.00000 0.00000 0.00001 -0.00009 173 3PZ 0.00000 0.00000 0.00000 0.00014 -0.00166 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00012 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 183 2S 0.00000 0.00000 0.00000 -0.00019 0.00531 184 2PX 0.00000 0.00000 0.00000 -0.00026 0.00469 185 2PY 0.00000 0.00000 0.00000 -0.00075 0.01421 186 2PZ 0.00000 0.00000 0.00000 -0.00032 0.00663 187 3S -0.00001 0.00000 0.00000 -0.00002 0.00556 188 3PX 0.00000 0.00000 0.00000 -0.00012 0.00210 189 3PY 0.00000 0.00000 0.00000 -0.00075 0.00991 190 3PZ 0.00000 0.00000 0.00000 -0.00009 0.00281 191 4XX 0.00000 0.00000 0.00000 0.00000 -0.00005 192 4YY 0.00000 0.00000 0.00000 -0.00003 0.00074 193 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00024 194 4XY 0.00000 0.00000 0.00000 -0.00005 0.00077 195 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00030 196 4YZ 0.00000 0.00000 0.00000 -0.00005 0.00089 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00008 198 2S 0.00000 0.00000 0.00000 0.00009 -0.00158 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 201 2PX 0.00000 0.00000 0.00000 0.00000 -0.00018 202 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 203 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00027 204 3S 0.00000 0.00000 0.00000 0.00013 -0.00244 205 3PX 0.00000 0.00000 0.00000 0.00009 -0.00176 206 3PY 0.00000 0.00000 0.00000 0.00001 -0.00009 207 3PZ 0.00000 0.00000 0.00000 0.00014 -0.00166 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00012 131 132 133 134 135 131 2PX 0.39924 132 2PY 0.00000 0.37725 133 2PZ 0.00000 0.00000 0.41347 134 3S 0.00000 0.00000 0.00000 0.32791 135 3PX 0.10379 0.00000 0.00000 0.00000 0.09215 136 3PY 0.00000 0.09977 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.10177 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00146 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00439 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00170 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.08876 0.00000 0.00661 0.03149 0.05937 145 2S 0.05497 0.00000 0.00384 -0.00237 0.05478 146 15 H 1S 0.00038 0.00000 0.09846 0.03831 0.00029 147 2S 0.00020 0.00000 0.05911 0.01741 0.00041 148 16 C 1S -0.00032 -0.00084 -0.00028 0.00021 -0.00035 149 2S 0.00638 0.01743 0.00515 0.00379 0.00504 150 2PX -0.00005 0.01476 0.00480 0.00755 -0.00238 151 2PY 0.01237 0.02246 0.01140 0.02017 0.00697 152 2PZ 0.00624 0.01722 0.00013 0.00525 0.00290 153 3S 0.00722 0.01278 0.00661 -0.01282 0.00327 154 3PX -0.00095 0.00847 0.00174 0.00460 -0.00371 155 3PY 0.00496 0.00221 0.00458 0.00901 0.00217 156 3PZ 0.00258 0.00992 -0.00163 -0.00061 0.00126 157 4XX -0.00017 0.00015 0.00007 -0.00001 -0.00054 158 4YY 0.00090 -0.00091 0.00084 0.00050 0.00038 159 4ZZ -0.00012 -0.00018 -0.00021 -0.00009 0.00014 160 4XY -0.00001 0.00077 0.00061 0.00052 -0.00002 161 4XZ -0.00001 0.00041 -0.00001 0.00012 0.00008 162 4YZ 0.00062 0.00074 0.00000 0.00062 0.00019 163 17 H 1S -0.00002 -0.00037 -0.00002 -0.00269 -0.00042 164 2S -0.00032 -0.00657 -0.00019 -0.00902 -0.00126 165 18 C 1S 0.00000 0.00000 0.00000 0.00015 0.00008 166 2S -0.00012 -0.00004 -0.00041 -0.00274 -0.00125 167 2PX 0.00005 0.00004 -0.00026 -0.00015 -0.00009 168 2PY -0.00006 0.00000 -0.00008 -0.00200 -0.00095 169 2PZ -0.00032 -0.00027 -0.00051 -0.00349 -0.00278 170 3S -0.00150 0.00143 -0.00484 -0.00821 -0.00269 171 3PX -0.00003 0.00032 -0.00199 -0.00027 -0.00236 172 3PY 0.00001 -0.00112 0.00051 -0.00252 -0.00069 173 3PZ -0.00154 0.00037 -0.00219 -0.00460 -0.00377 174 4XX 0.00000 0.00000 0.00002 0.00014 0.00002 175 4YY 0.00000 0.00000 -0.00001 -0.00015 -0.00008 176 4ZZ 0.00006 0.00003 0.00009 0.00038 0.00029 177 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 178 4XZ 0.00001 0.00002 0.00006 0.00013 0.00000 179 4YZ 0.00002 0.00000 0.00004 0.00007 0.00003 180 19 H 1S 0.00000 0.00000 0.00000 0.00012 0.00008 181 2S 0.00011 0.00014 0.00025 0.00188 0.00088 182 20 C 1S -0.00032 -0.00084 -0.00028 0.00021 -0.00035 183 2S 0.00640 0.01742 0.00515 0.00379 0.00505 184 2PX -0.00005 0.01477 0.00481 0.00756 -0.00238 185 2PY 0.01239 0.02240 0.01140 0.02015 0.00698 186 2PZ 0.00626 0.01721 0.00013 0.00526 0.00291 187 3S 0.00724 0.01276 0.00661 -0.01281 0.00328 188 3PX -0.00095 0.00847 0.00175 0.00461 -0.00372 189 3PY 0.00496 0.00219 0.00457 0.00900 0.00218 190 3PZ 0.00259 0.00991 -0.00163 -0.00060 0.00126 191 4XX -0.00017 0.00015 0.00007 -0.00001 -0.00054 192 4YY 0.00090 -0.00091 0.00083 0.00050 0.00038 193 4ZZ -0.00012 -0.00018 -0.00021 -0.00009 0.00014 194 4XY -0.00001 0.00077 0.00062 0.00052 -0.00002 195 4XZ -0.00001 0.00041 -0.00001 0.00012 0.00008 196 4YZ 0.00062 0.00074 0.00000 0.00062 0.00019 197 21 H 1S -0.00002 -0.00037 -0.00002 -0.00269 -0.00042 198 2S -0.00032 -0.00657 -0.00019 -0.00902 -0.00126 199 22 C 1S 0.00000 0.00000 0.00000 0.00015 0.00008 200 2S -0.00012 -0.00004 -0.00041 -0.00274 -0.00125 201 2PX 0.00006 0.00004 -0.00026 -0.00015 -0.00008 202 2PY -0.00006 0.00000 -0.00008 -0.00200 -0.00095 203 2PZ -0.00032 -0.00027 -0.00051 -0.00349 -0.00279 204 3S -0.00150 0.00143 -0.00484 -0.00821 -0.00269 205 3PX -0.00003 0.00033 -0.00199 -0.00028 -0.00235 206 3PY 0.00001 -0.00112 0.00051 -0.00251 -0.00069 207 3PZ -0.00154 0.00037 -0.00219 -0.00460 -0.00378 208 4XX 0.00000 0.00000 0.00002 0.00014 0.00002 209 4YY 0.00000 0.00000 -0.00001 -0.00015 -0.00008 210 4ZZ 0.00006 0.00003 0.00009 0.00038 0.00029 211 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 212 4XZ 0.00001 0.00002 0.00006 0.00013 0.00000 213 4YZ 0.00002 0.00000 0.00004 0.00007 0.00003 214 23 H 1S 0.00000 0.00000 0.00000 0.00012 0.00008 215 2S 0.00011 0.00014 0.00025 0.00188 0.00088 136 137 138 139 140 136 3PY 0.08713 137 3PZ 0.00000 0.08815 138 4XX 0.00000 0.00000 0.00181 139 4YY 0.00000 0.00000 -0.00010 0.00134 140 4ZZ 0.00000 0.00000 -0.00027 -0.00017 0.00194 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00418 0.00641 -0.00090 -0.00086 145 2S 0.00000 0.00390 0.00599 -0.00194 -0.00228 146 15 H 1S 0.00000 0.05906 -0.00094 -0.00101 0.00743 147 2S 0.00000 0.05019 -0.00270 -0.00218 0.00652 148 16 C 1S -0.00069 -0.00018 0.00001 -0.00004 0.00000 149 2S 0.01116 0.00333 -0.00028 0.00096 -0.00012 150 2PX 0.01036 0.00385 -0.00008 0.00052 -0.00009 151 2PY 0.00397 0.00610 -0.00017 -0.00063 0.00000 152 2PZ 0.01159 -0.00102 -0.00009 0.00092 -0.00017 153 3S 0.00222 0.00105 -0.00033 0.00207 -0.00110 154 3PX 0.00823 0.00230 -0.00035 0.00043 0.00006 155 3PY -0.00192 0.00110 0.00020 -0.00035 -0.00041 156 3PZ 0.00799 -0.00033 -0.00005 0.00059 -0.00039 157 4XX 0.00046 0.00013 0.00002 -0.00006 -0.00003 158 4YY -0.00073 0.00031 -0.00004 0.00007 -0.00006 159 4ZZ -0.00017 -0.00044 -0.00002 -0.00008 0.00003 160 4XY 0.00007 0.00018 0.00000 -0.00002 -0.00002 161 4XZ 0.00008 0.00007 0.00000 -0.00001 0.00000 162 4YZ 0.00008 0.00000 -0.00002 -0.00001 0.00000 163 17 H 1S -0.00382 -0.00033 0.00000 0.00005 0.00000 164 2S -0.01209 -0.00085 -0.00003 0.00040 -0.00010 165 18 C 1S 0.00002 0.00020 0.00000 0.00000 0.00000 166 2S -0.00055 -0.00284 0.00000 0.00000 0.00005 167 2PX 0.00005 0.00241 -0.00001 0.00000 0.00010 168 2PY -0.00026 -0.00107 0.00000 0.00000 0.00000 169 2PZ -0.00238 -0.00266 0.00001 -0.00002 0.00011 170 3S 0.00297 -0.00757 -0.00003 -0.00014 0.00044 171 3PX 0.00059 0.00387 -0.00019 -0.00004 0.00054 172 3PY -0.00307 -0.00016 -0.00001 0.00003 -0.00008 173 3PZ -0.00040 -0.00306 0.00011 -0.00024 0.00038 174 4XX 0.00003 0.00019 0.00000 0.00000 0.00000 175 4YY -0.00002 -0.00018 0.00000 0.00000 0.00000 176 4ZZ 0.00009 0.00029 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00005 0.00000 0.00000 0.00000 178 4XZ 0.00006 0.00015 0.00000 0.00000 0.00000 179 4YZ -0.00009 0.00005 0.00000 0.00000 0.00000 180 19 H 1S 0.00010 0.00010 0.00000 0.00000 0.00000 181 2S 0.00118 0.00143 0.00000 0.00000 -0.00002 182 20 C 1S -0.00069 -0.00018 0.00001 -0.00004 0.00000 183 2S 0.01115 0.00333 -0.00028 0.00096 -0.00012 184 2PX 0.01037 0.00386 -0.00008 0.00052 -0.00009 185 2PY 0.00395 0.00610 -0.00017 -0.00063 0.00000 186 2PZ 0.01159 -0.00102 -0.00009 0.00091 -0.00017 187 3S 0.00221 0.00105 -0.00033 0.00207 -0.00110 188 3PX 0.00824 0.00231 -0.00035 0.00043 0.00006 189 3PY -0.00193 0.00110 0.00020 -0.00035 -0.00041 190 3PZ 0.00798 -0.00033 -0.00005 0.00059 -0.00039 191 4XX 0.00046 0.00013 0.00002 -0.00006 -0.00003 192 4YY -0.00073 0.00031 -0.00004 0.00007 -0.00006 193 4ZZ -0.00017 -0.00044 -0.00002 -0.00008 0.00003 194 4XY 0.00007 0.00018 0.00000 -0.00002 -0.00002 195 4XZ 0.00008 0.00007 0.00000 -0.00001 0.00000 196 4YZ 0.00008 0.00000 -0.00002 -0.00001 0.00000 197 21 H 1S -0.00381 -0.00033 0.00000 0.00005 0.00000 198 2S -0.01209 -0.00086 -0.00003 0.00040 -0.00010 199 22 C 1S 0.00002 0.00020 0.00000 0.00000 0.00000 200 2S -0.00055 -0.00284 0.00000 0.00000 0.00005 201 2PX 0.00005 0.00241 -0.00001 0.00000 0.00010 202 2PY -0.00026 -0.00107 0.00000 0.00000 0.00000 203 2PZ -0.00237 -0.00266 0.00001 -0.00002 0.00011 204 3S 0.00297 -0.00756 -0.00003 -0.00014 0.00044 205 3PX 0.00059 0.00387 -0.00019 -0.00004 0.00054 206 3PY -0.00307 -0.00016 -0.00001 0.00003 -0.00008 207 3PZ -0.00040 -0.00306 0.00011 -0.00024 0.00038 208 4XX 0.00003 0.00019 0.00000 0.00000 0.00000 209 4YY -0.00002 -0.00018 0.00000 0.00000 0.00000 210 4ZZ 0.00009 0.00029 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00005 0.00000 0.00000 0.00000 212 4XZ 0.00006 0.00015 0.00000 0.00000 0.00000 213 4YZ -0.00009 0.00005 0.00000 0.00000 0.00000 214 23 H 1S 0.00010 0.00010 0.00000 0.00000 0.00000 215 2S 0.00118 0.00144 0.00000 0.00000 -0.00002 141 142 143 144 145 141 4XY 0.00090 142 4XZ 0.00000 0.00065 143 4YZ 0.00000 0.00000 0.00093 144 14 H 1S 0.00000 0.00122 0.00000 0.21008 145 2S 0.00000 0.00026 0.00000 0.10344 0.14021 146 15 H 1S 0.00000 0.00002 0.00000 -0.00045 -0.00674 147 2S 0.00000 0.00000 0.00000 -0.00663 -0.01761 148 16 C 1S -0.00005 -0.00002 -0.00005 0.00000 0.00020 149 2S 0.00083 0.00030 0.00088 -0.00019 -0.00342 150 2PX -0.00006 0.00000 0.00085 0.00001 -0.00226 151 2PY 0.00087 0.00061 0.00095 -0.00015 -0.00215 152 2PZ 0.00076 -0.00001 -0.00004 -0.00006 -0.00050 153 3S 0.00041 0.00014 0.00041 -0.00198 -0.00706 154 3PX 0.00026 0.00001 0.00028 -0.00105 -0.00492 155 3PY 0.00004 0.00010 0.00006 -0.00048 -0.00188 156 3PZ 0.00030 0.00000 0.00011 -0.00037 -0.00061 157 4XX 0.00000 0.00000 -0.00003 0.00009 0.00082 158 4YY -0.00005 0.00003 -0.00006 -0.00001 -0.00028 159 4ZZ -0.00002 0.00000 0.00000 0.00000 -0.00007 160 4XY 0.00001 0.00000 0.00004 0.00004 0.00005 161 4XZ 0.00001 0.00000 0.00000 0.00001 -0.00001 162 4YZ 0.00003 0.00000 0.00000 0.00000 -0.00002 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 164 2S -0.00008 -0.00001 -0.00005 -0.00001 0.00013 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00001 0.00001 0.00000 -0.00003 167 2PX -0.00001 0.00000 0.00003 -0.00002 -0.00055 168 2PY 0.00000 -0.00001 0.00000 0.00000 0.00001 169 2PZ 0.00001 0.00007 0.00004 0.00000 0.00007 170 3S 0.00005 -0.00003 0.00003 0.00003 0.00097 171 3PX 0.00000 0.00000 0.00007 -0.00112 -0.00190 172 3PY -0.00003 -0.00001 -0.00001 0.00000 -0.00006 173 3PZ 0.00007 0.00007 -0.00001 0.00017 0.00027 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00004 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 179 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00020 182 20 C 1S -0.00005 -0.00002 -0.00005 0.00000 0.00020 183 2S 0.00083 0.00030 0.00087 -0.00019 -0.00342 184 2PX -0.00006 0.00000 0.00085 0.00001 -0.00227 185 2PY 0.00087 0.00061 0.00095 -0.00015 -0.00214 186 2PZ 0.00077 -0.00001 -0.00004 -0.00006 -0.00050 187 3S 0.00041 0.00014 0.00041 -0.00198 -0.00706 188 3PX 0.00026 0.00001 0.00028 -0.00105 -0.00492 189 3PY 0.00003 0.00010 0.00006 -0.00048 -0.00187 190 3PZ 0.00030 0.00000 0.00011 -0.00037 -0.00062 191 4XX 0.00000 0.00000 -0.00003 0.00009 0.00082 192 4YY -0.00005 0.00003 -0.00006 -0.00001 -0.00028 193 4ZZ -0.00002 0.00000 0.00000 0.00000 -0.00007 194 4XY 0.00001 0.00000 0.00004 0.00004 0.00005 195 4XZ 0.00001 0.00000 0.00000 0.00001 -0.00001 196 4YZ 0.00003 0.00000 0.00000 0.00000 -0.00002 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 198 2S -0.00008 -0.00001 -0.00005 -0.00001 0.00013 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00001 0.00001 0.00000 -0.00003 201 2PX -0.00001 0.00000 0.00003 -0.00002 -0.00055 202 2PY 0.00000 -0.00001 0.00000 0.00000 0.00001 203 2PZ 0.00001 0.00007 0.00004 0.00000 0.00007 204 3S 0.00005 -0.00003 0.00003 0.00003 0.00097 205 3PX 0.00000 0.00000 0.00007 -0.00112 -0.00190 206 3PY -0.00003 -0.00001 -0.00001 0.00000 -0.00006 207 3PZ 0.00007 0.00007 -0.00001 0.00017 0.00027 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00004 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 213 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00020 146 147 148 149 150 146 15 H 1S 0.21453 147 2S 0.10530 0.14145 148 16 C 1S 0.00000 0.00013 2.05590 149 2S -0.00009 -0.00188 -0.01386 0.33144 150 2PX -0.00006 -0.00037 0.00000 0.00000 0.31538 151 2PY -0.00009 -0.00142 0.00000 0.00000 0.00000 152 2PZ -0.00025 -0.00469 0.00000 0.00000 0.00000 153 3S -0.00232 -0.01085 -0.03809 0.25289 0.00000 154 3PX -0.00028 0.00010 0.00000 0.00000 0.10653 155 3PY -0.00092 -0.00395 0.00000 0.00000 0.00000 156 3PZ -0.00162 -0.00613 0.00000 0.00000 0.00000 157 4XX 0.00000 -0.00013 -0.00087 -0.00986 0.00000 158 4YY -0.00001 -0.00027 -0.00151 0.00216 0.00000 159 4ZZ 0.00005 0.00075 -0.00109 -0.00527 0.00000 160 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 161 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00000 162 4YZ 0.00002 -0.00001 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 -0.00015 -0.00212 0.03300 0.00215 164 2S -0.00014 -0.00085 -0.00144 0.01348 0.00164 165 18 C 1S 0.00000 0.00000 0.00000 -0.00045 -0.00014 166 2S 0.00000 0.00018 -0.00049 0.00996 0.00197 167 2PX 0.00000 0.00021 -0.00007 0.00128 0.01247 168 2PY 0.00000 0.00000 -0.00029 0.00500 0.00076 169 2PZ 0.00000 0.00028 -0.00224 0.03371 0.01119 170 3S 0.00013 0.00193 0.00087 0.00320 0.00314 171 3PX 0.00009 0.00140 0.00024 -0.00119 0.02277 172 3PY -0.00003 -0.00019 -0.00027 0.00193 0.00017 173 3PZ 0.00015 0.00130 -0.00037 0.01395 0.00619 174 4XX 0.00000 0.00000 0.00000 -0.00029 0.00004 175 4YY 0.00000 0.00000 0.00001 -0.00060 -0.00010 176 4ZZ 0.00000 -0.00002 -0.00017 0.00248 0.00053 177 4XY 0.00000 0.00000 -0.00001 0.00005 0.00010 178 4XZ 0.00000 0.00000 -0.00003 0.00031 0.00100 179 4YZ 0.00000 0.00000 -0.00007 0.00081 0.00016 180 19 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00004 181 2S 0.00000 -0.00011 0.00020 -0.00279 -0.00069 182 20 C 1S 0.00000 0.00013 0.00000 0.00000 0.00000 183 2S -0.00009 -0.00188 0.00000 -0.00018 0.00000 184 2PX -0.00006 -0.00038 0.00000 0.00000 -0.00034 185 2PY -0.00009 -0.00142 0.00000 -0.00056 0.00000 186 2PZ -0.00025 -0.00470 0.00000 0.00000 0.00000 187 3S -0.00232 -0.01085 0.00019 -0.00250 0.00000 188 3PX -0.00028 0.00010 0.00000 0.00000 -0.00407 189 3PY -0.00092 -0.00395 0.00030 -0.00303 0.00000 190 3PZ -0.00162 -0.00613 0.00000 0.00000 0.00000 191 4XX 0.00000 -0.00013 0.00000 0.00000 0.00000 192 4YY -0.00001 -0.00027 0.00000 0.00010 0.00000 193 4ZZ 0.00005 0.00075 0.00000 0.00000 0.00000 194 4XY 0.00000 -0.00002 0.00000 0.00000 0.00001 195 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00000 196 4YZ 0.00002 -0.00001 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00015 0.00000 0.00000 0.00000 198 2S -0.00014 -0.00085 0.00000 0.00016 -0.00001 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00018 0.00000 -0.00022 0.00001 201 2PX 0.00000 0.00021 0.00000 -0.00002 -0.00001 202 2PY 0.00000 0.00000 0.00000 -0.00045 -0.00006 203 2PZ 0.00000 0.00028 0.00000 -0.00022 0.00002 204 3S 0.00013 0.00193 0.00006 -0.00253 -0.00029 205 3PX 0.00009 0.00140 0.00000 -0.00003 -0.00068 206 3PY -0.00003 -0.00019 0.00008 -0.00253 -0.00054 207 3PZ 0.00015 0.00130 -0.00004 -0.00036 -0.00024 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00004 0.00001 210 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00003 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00006 0.00002 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00011 -0.00001 0.00018 0.00000 151 152 153 154 155 151 2PY 0.42636 152 2PZ 0.00000 0.40298 153 3S 0.00000 0.00000 0.34778 154 3PX 0.00000 0.00000 0.00000 0.12137 155 3PY 0.07592 0.00000 0.00000 0.00000 0.05358 156 3PZ 0.00000 0.09844 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00733 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00358 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00556 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.09143 0.00577 0.05021 0.00165 0.03905 164 2S 0.05409 0.00259 0.03092 0.00227 0.03246 165 18 C 1S -0.00024 -0.00222 -0.00047 -0.00005 -0.00033 166 2S 0.00324 0.03555 0.01228 0.00024 0.00406 167 2PX 0.00015 0.01320 -0.00217 0.02269 -0.00083 168 2PY -0.00071 0.01577 0.00168 0.00031 0.00371 169 2PZ 0.01045 0.05872 0.03843 0.00530 0.00550 170 3S 0.00552 0.01543 -0.01513 0.00331 0.00321 171 3PX -0.00021 0.00627 -0.00738 0.03828 -0.00112 172 3PY 0.00396 0.01036 -0.00025 -0.00022 0.00560 173 3PZ 0.00425 0.00455 0.01727 0.00582 0.00218 174 4XX -0.00008 -0.00056 -0.00071 -0.00017 -0.00016 175 4YY 0.00004 -0.00121 -0.00131 -0.00012 -0.00026 176 4ZZ 0.00141 0.00018 0.00268 0.00047 0.00039 177 4XY 0.00004 0.00018 0.00006 0.00012 -0.00003 178 4XZ 0.00020 0.00045 0.00003 0.00074 0.00001 179 4YZ 0.00047 0.00124 0.00052 0.00002 0.00020 180 19 H 1S 0.00000 -0.00053 -0.00356 -0.00012 0.00012 181 2S -0.00014 -0.00873 -0.01423 -0.00025 0.00028 182 20 C 1S 0.00000 0.00000 0.00019 0.00000 0.00030 183 2S -0.00056 0.00000 -0.00250 0.00000 -0.00303 184 2PX 0.00000 0.00000 0.00000 -0.00407 0.00000 185 2PY -0.00120 0.00000 -0.00482 0.00000 -0.00200 186 2PZ 0.00000 -0.00014 0.00000 0.00000 0.00000 187 3S -0.00482 0.00000 -0.00583 0.00000 -0.00429 188 3PX 0.00000 0.00000 0.00000 -0.01354 0.00000 189 3PY -0.00200 0.00000 -0.00429 0.00000 0.00161 190 3PZ 0.00000 -0.00250 0.00000 0.00000 0.00000 191 4XX -0.00002 0.00000 -0.00004 0.00000 -0.00007 192 4YY 0.00041 0.00000 0.00079 0.00000 0.00109 193 4ZZ -0.00002 0.00000 -0.00022 0.00000 -0.00040 194 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00012 0.00000 0.00014 198 2S 0.00048 0.00002 0.00179 -0.00004 0.00204 199 22 C 1S 0.00000 0.00000 0.00011 0.00000 0.00009 200 2S -0.00045 -0.00027 -0.00278 0.00014 -0.00213 201 2PX -0.00002 -0.00003 -0.00095 -0.00084 -0.00125 202 2PY -0.00043 -0.00067 -0.00036 -0.00041 0.00268 203 2PZ -0.00039 0.00000 -0.00362 0.00006 -0.00108 204 3S -0.00782 0.00285 -0.00671 -0.00130 -0.01044 205 3PX 0.00004 0.00011 -0.00199 -0.00361 -0.00202 206 3PY -0.00415 0.00066 -0.00004 -0.00133 0.00022 207 3PZ -0.00165 0.00157 -0.00301 -0.00084 -0.00022 208 4XX 0.00000 0.00000 0.00004 0.00001 -0.00005 209 4YY 0.00008 0.00008 0.00038 0.00001 0.00037 210 4ZZ 0.00001 0.00001 -0.00003 -0.00002 -0.00004 211 4XY 0.00000 0.00003 -0.00001 0.00021 -0.00001 212 4XZ 0.00000 0.00000 0.00000 -0.00006 -0.00002 213 4YZ 0.00012 0.00010 0.00033 0.00004 0.00020 214 23 H 1S 0.00000 0.00000 0.00014 0.00001 0.00003 215 2S 0.00020 0.00038 0.00195 -0.00006 0.00064 156 157 158 159 160 156 3PZ 0.09384 157 4XX 0.00000 0.00124 158 4YY 0.00000 -0.00012 0.00176 159 4ZZ 0.00000 0.00008 -0.00030 0.00137 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00058 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00242 -0.00092 0.00591 -0.00122 0.00049 164 2S 0.00025 -0.00154 0.00504 -0.00229 0.00010 165 18 C 1S -0.00156 0.00001 0.00001 -0.00018 0.00000 166 2S 0.02069 -0.00044 -0.00062 0.00269 0.00005 167 2PX 0.00792 0.00004 -0.00012 0.00089 0.00011 168 2PY 0.00728 -0.00008 0.00003 0.00104 0.00004 169 2PZ 0.01016 -0.00092 -0.00097 0.00035 0.00019 170 3S -0.00619 0.00008 -0.00245 0.00345 0.00000 171 3PX 0.00662 -0.00014 -0.00020 0.00070 0.00009 172 3PY 0.00814 -0.00022 -0.00021 0.00061 -0.00001 173 3PZ 0.00000 -0.00007 -0.00103 -0.00014 0.00002 174 4XX 0.00005 0.00001 0.00001 -0.00005 0.00000 175 4YY -0.00115 0.00000 0.00003 -0.00006 0.00000 176 4ZZ -0.00031 -0.00003 -0.00007 -0.00001 -0.00002 177 4XY 0.00007 0.00000 0.00000 -0.00002 0.00000 178 4XZ 0.00007 0.00001 0.00000 0.00004 0.00002 179 4YZ 0.00011 -0.00003 0.00000 -0.00003 -0.00001 180 19 H 1S -0.00402 0.00000 0.00000 0.00004 0.00000 181 2S -0.01517 0.00017 -0.00004 0.00008 0.00001 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00010 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 185 2PY 0.00000 -0.00002 0.00041 -0.00002 0.00000 186 2PZ -0.00250 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 -0.00004 0.00079 -0.00022 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00002 189 3PY 0.00000 -0.00007 0.00109 -0.00040 0.00000 190 3PZ -0.00967 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ -0.00009 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 198 2S 0.00021 0.00000 -0.00004 0.00000 0.00000 199 22 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 200 2S -0.00216 0.00000 0.00004 0.00000 0.00001 201 2PX -0.00063 0.00000 -0.00001 0.00001 0.00001 202 2PY -0.00302 -0.00001 0.00013 -0.00001 0.00002 203 2PZ -0.00035 0.00000 0.00005 -0.00001 0.00001 204 3S 0.00777 -0.00008 0.00030 0.00009 0.00004 205 3PX -0.00083 0.00000 -0.00009 0.00011 0.00005 206 3PY 0.00234 -0.00016 0.00060 -0.00015 0.00003 207 3PZ 0.00000 -0.00011 0.00002 0.00007 0.00002 208 4XX -0.00006 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00008 0.00000 -0.00001 0.00000 0.00000 210 4ZZ 0.00016 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00008 0.00000 0.00000 0.00000 0.00000 212 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00010 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00022 0.00000 0.00000 0.00000 0.00000 215 2S 0.00260 -0.00001 -0.00001 0.00000 0.00000 161 162 163 164 165 161 4XZ 0.00073 162 4YZ 0.00000 0.00098 163 17 H 1S 0.00000 0.00079 0.21366 164 2S 0.00000 0.00016 0.10180 0.13511 165 18 C 1S -0.00003 -0.00007 0.00000 0.00014 2.05355 166 2S 0.00029 0.00078 -0.00014 -0.00200 -0.01405 167 2PX 0.00119 0.00021 -0.00001 -0.00025 0.00000 168 2PY 0.00006 0.00058 -0.00026 -0.00411 0.00000 169 2PZ 0.00049 0.00146 -0.00029 -0.00318 0.00000 170 3S 0.00009 0.00013 -0.00387 -0.01442 -0.03075 171 3PX 0.00104 0.00002 -0.00017 -0.00048 0.00000 172 3PY -0.00001 0.00013 -0.00014 -0.00127 0.00000 173 3PZ 0.00006 0.00005 -0.00259 -0.00700 0.00000 174 4XX 0.00001 -0.00002 0.00000 0.00006 -0.00094 175 4YY -0.00001 -0.00001 0.00004 0.00060 -0.00138 176 4ZZ 0.00004 -0.00010 -0.00002 -0.00047 -0.00144 177 4XY -0.00002 -0.00001 0.00001 0.00004 0.00000 178 4XZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 179 4YZ -0.00002 -0.00005 0.00005 0.00013 0.00000 180 19 H 1S 0.00001 0.00001 0.00000 -0.00042 -0.00210 181 2S 0.00004 0.00005 -0.00043 -0.00259 -0.00123 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00016 0.00000 184 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00048 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00002 0.00000 187 3S 0.00000 0.00000 0.00012 0.00179 0.00011 188 3PX 0.00000 0.00000 0.00000 -0.00004 0.00000 189 3PY 0.00000 0.00000 0.00014 0.00204 0.00009 190 3PZ 0.00000 -0.00009 0.00002 0.00021 0.00009 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 -0.00004 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00013 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00005 0.00000 0.00016 -0.00050 201 2PX 0.00002 0.00000 0.00000 -0.00004 0.00000 202 2PY 0.00000 0.00021 0.00000 0.00051 -0.00268 203 2PZ 0.00001 0.00002 0.00000 0.00010 0.00000 204 3S -0.00002 0.00027 0.00018 0.00229 -0.00013 205 3PX 0.00016 0.00001 -0.00002 -0.00038 0.00000 206 3PY -0.00001 0.00027 0.00033 0.00345 -0.00145 207 3PZ 0.00001 0.00004 0.00002 0.00053 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00001 0.00000 -0.00002 -0.00028 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 -0.00010 0.00017 166 167 168 169 170 166 2S 0.33134 167 2PX 0.00000 0.34559 168 2PY 0.00000 0.00000 0.41954 169 2PZ 0.00000 0.00000 0.00000 0.40627 170 3S 0.20797 0.00000 0.00000 0.00000 0.27305 171 3PX 0.00000 0.12409 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.07765 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.06670 0.00000 174 4XX -0.00993 0.00000 0.00000 0.00000 -0.00657 175 4YY -0.00170 0.00000 0.00000 0.00000 -0.00099 176 4ZZ -0.00082 0.00000 0.00000 0.00000 0.00044 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.03245 0.00895 0.03341 0.05673 0.05004 181 2S 0.01134 0.00565 0.01989 0.03527 0.04215 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00006 183 2S -0.00022 -0.00002 -0.00045 -0.00022 -0.00253 184 2PX 0.00001 -0.00001 -0.00005 0.00002 -0.00029 185 2PY -0.00045 -0.00002 -0.00043 -0.00039 -0.00782 186 2PZ -0.00027 -0.00003 -0.00067 0.00000 0.00285 187 3S -0.00278 -0.00095 -0.00036 -0.00362 -0.00671 188 3PX 0.00014 -0.00084 -0.00041 0.00006 -0.00130 189 3PY -0.00213 -0.00125 0.00267 -0.00108 -0.01044 190 3PZ -0.00216 -0.00062 -0.00303 -0.00034 0.00777 191 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00009 192 4YY 0.00004 -0.00001 0.00013 0.00005 0.00030 193 4ZZ 0.00000 0.00001 -0.00001 -0.00001 0.00009 194 4XY 0.00001 0.00001 0.00002 0.00001 0.00004 195 4XZ 0.00000 0.00002 0.00000 0.00001 -0.00002 196 4YZ 0.00005 0.00000 0.00021 0.00002 0.00027 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00018 198 2S 0.00016 -0.00004 0.00051 0.00010 0.00229 199 22 C 1S -0.00050 0.00000 -0.00268 0.00000 -0.00013 200 2S 0.01027 0.00000 0.04091 0.00000 0.01187 201 2PX 0.00000 0.01971 0.00000 0.00000 0.00001 202 2PY 0.04091 0.00000 0.09974 0.00000 0.02955 203 2PZ 0.00000 0.00000 0.00000 0.00395 0.00000 204 3S 0.01187 -0.00001 0.02956 0.00000 -0.01105 205 3PX 0.00000 0.03087 0.00000 0.00000 0.00001 206 3PY 0.02194 0.00000 0.01816 0.00000 0.00558 207 3PZ 0.00000 0.00000 0.00000 0.01044 0.00000 208 4XX -0.00038 0.00000 -0.00084 0.00000 -0.00057 209 4YY 0.00380 0.00000 0.00251 0.00000 0.00356 210 4ZZ -0.00059 0.00000 -0.00147 0.00000 -0.00215 211 4XY 0.00000 0.00215 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00207 0.00000 214 23 H 1S -0.00014 -0.00001 -0.00049 -0.00009 -0.00382 215 2S -0.00229 -0.00029 -0.00722 -0.00163 -0.01520 171 172 173 174 175 171 3PX 0.14491 172 3PY 0.00000 0.05521 173 3PZ 0.00000 0.00000 0.05201 174 4XX 0.00000 0.00000 0.00000 0.00081 175 4YY 0.00000 0.00000 0.00000 0.00005 0.00114 176 4ZZ 0.00000 0.00000 0.00000 0.00004 -0.00019 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00426 0.01355 0.02225 -0.00061 -0.00032 181 2S 0.00410 0.00977 0.01657 -0.00024 -0.00030 182 20 C 1S 0.00000 0.00008 -0.00004 0.00000 0.00000 183 2S -0.00003 -0.00253 -0.00036 0.00000 0.00004 184 2PX -0.00068 -0.00054 -0.00024 0.00000 0.00001 185 2PY 0.00004 -0.00415 -0.00165 0.00000 0.00008 186 2PZ 0.00011 0.00066 0.00157 0.00000 0.00008 187 3S -0.00198 -0.00004 -0.00301 0.00004 0.00038 188 3PX -0.00362 -0.00133 -0.00084 0.00001 0.00001 189 3PY -0.00201 0.00021 -0.00022 -0.00005 0.00037 190 3PZ -0.00083 0.00234 0.00000 -0.00006 0.00008 191 4XX 0.00000 -0.00016 -0.00011 0.00000 0.00000 192 4YY -0.00009 0.00060 0.00002 0.00000 -0.00001 193 4ZZ 0.00011 -0.00015 0.00007 0.00000 0.00000 194 4XY 0.00005 0.00003 0.00002 0.00000 0.00000 195 4XZ 0.00016 -0.00001 0.00001 0.00000 0.00000 196 4YZ 0.00001 0.00027 0.00004 0.00000 0.00001 197 21 H 1S -0.00002 0.00033 0.00002 0.00000 0.00000 198 2S -0.00038 0.00345 0.00053 0.00000 -0.00002 199 22 C 1S 0.00000 -0.00145 0.00000 0.00000 -0.00028 200 2S 0.00000 0.02194 0.00000 -0.00038 0.00380 201 2PX 0.03087 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.01816 0.00000 -0.00084 0.00251 203 2PZ 0.00000 0.00000 0.01044 0.00000 0.00000 204 3S -0.00001 0.00560 0.00000 -0.00057 0.00356 205 3PX 0.05143 0.00000 0.00000 0.00000 0.00000 206 3PY 0.00000 0.00214 0.00000 -0.00052 0.00088 207 3PZ 0.00000 0.00000 0.00800 0.00000 0.00000 208 4XX 0.00000 -0.00052 0.00000 0.00002 -0.00006 209 4YY 0.00000 0.00088 0.00000 -0.00006 -0.00008 210 4ZZ 0.00000 -0.00190 0.00000 0.00001 -0.00002 211 4XY 0.00135 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00041 0.00000 0.00000 214 23 H 1S 0.00001 -0.00367 0.00016 0.00000 0.00001 215 2S -0.00031 -0.01269 0.00031 0.00011 -0.00031 176 177 178 179 180 176 4ZZ 0.00117 177 4XY 0.00000 0.00072 178 4XZ 0.00000 0.00000 0.00063 179 4YZ 0.00000 0.00000 0.00000 0.00146 180 19 H 1S 0.00151 0.00054 0.00077 0.00336 0.21460 181 2S 0.00187 0.00012 0.00012 0.00070 0.10561 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00006 0.00000 184 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 185 2PY 0.00001 0.00000 0.00000 0.00012 0.00000 186 2PZ 0.00001 0.00003 0.00000 0.00010 0.00000 187 3S -0.00003 -0.00001 0.00000 0.00033 0.00014 188 3PX -0.00002 0.00021 -0.00006 0.00004 0.00001 189 3PY -0.00004 -0.00001 -0.00002 0.00020 0.00003 190 3PZ 0.00016 0.00008 -0.00001 0.00010 0.00022 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S -0.00059 0.00000 0.00000 0.00000 -0.00014 201 2PX 0.00000 0.00215 0.00000 0.00000 -0.00001 202 2PY -0.00147 0.00000 0.00000 0.00000 -0.00049 203 2PZ 0.00000 0.00000 0.00000 0.00207 -0.00009 204 3S -0.00215 0.00000 0.00000 0.00000 -0.00382 205 3PX 0.00000 0.00135 0.00000 0.00000 0.00001 206 3PY -0.00190 0.00000 0.00000 0.00000 -0.00367 207 3PZ 0.00000 0.00000 0.00000 0.00041 0.00016 208 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 209 4YY -0.00002 0.00000 0.00000 0.00000 0.00001 210 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 -0.00024 0.00005 214 23 H 1S 0.00000 0.00001 0.00000 0.00005 0.00000 215 2S 0.00023 0.00004 0.00001 0.00023 -0.00039 181 182 183 184 185 181 2S 0.14179 182 20 C 1S -0.00001 2.05590 183 2S 0.00018 -0.01386 0.33143 184 2PX 0.00000 0.00000 0.00000 0.31539 185 2PY 0.00020 0.00000 0.00000 0.00000 0.42636 186 2PZ 0.00038 0.00000 0.00000 0.00000 0.00000 187 3S 0.00195 -0.03809 0.25290 0.00000 0.00000 188 3PX -0.00006 0.00000 0.00000 0.10652 0.00000 189 3PY 0.00064 0.00000 0.00000 0.00000 0.07593 190 3PZ 0.00260 0.00000 0.00000 0.00000 0.00000 191 4XX -0.00001 -0.00087 -0.00986 0.00000 0.00000 192 4YY -0.00001 -0.00151 0.00216 0.00000 0.00000 193 4ZZ 0.00000 -0.00109 -0.00527 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00212 0.03300 0.00214 0.09146 198 2S -0.00010 -0.00144 0.01348 0.00163 0.05411 199 22 C 1S 0.00017 0.00000 -0.00045 -0.00014 -0.00024 200 2S -0.00229 -0.00049 0.00996 0.00196 0.00324 201 2PX -0.00029 -0.00007 0.00127 0.01248 0.00015 202 2PY -0.00723 -0.00030 0.00500 0.00075 -0.00071 203 2PZ -0.00163 -0.00224 0.03371 0.01117 0.01048 204 3S -0.01520 0.00087 0.00320 0.00314 0.00553 205 3PX -0.00031 0.00024 -0.00119 0.02278 -0.00022 206 3PY -0.01269 -0.00027 0.00193 0.00017 0.00395 207 3PZ 0.00031 -0.00037 0.01395 0.00618 0.00426 208 4XX 0.00011 0.00000 -0.00029 0.00004 -0.00008 209 4YY -0.00031 0.00001 -0.00060 -0.00010 0.00004 210 4ZZ 0.00023 -0.00017 0.00248 0.00053 0.00141 211 4XY 0.00004 -0.00001 0.00005 0.00010 0.00004 212 4XZ 0.00001 -0.00003 0.00031 0.00100 0.00020 213 4YZ 0.00023 -0.00007 0.00081 0.00016 0.00047 214 23 H 1S -0.00039 0.00000 -0.00015 -0.00004 0.00000 215 2S -0.00242 0.00020 -0.00279 -0.00069 -0.00014 186 187 188 189 190 186 2PZ 0.40298 187 3S 0.00000 0.34779 188 3PX 0.00000 0.00000 0.12136 189 3PY 0.00000 0.00000 0.00000 0.05359 190 3PZ 0.09844 0.00000 0.00000 0.00000 0.09384 191 4XX 0.00000 -0.00733 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00358 0.00000 0.00000 0.00000 193 4ZZ 0.00000 -0.00556 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00576 0.05021 0.00164 0.03906 0.00242 198 2S 0.00259 0.03092 0.00226 0.03248 0.00025 199 22 C 1S -0.00223 -0.00047 -0.00005 -0.00033 -0.00156 200 2S 0.03555 0.01228 0.00023 0.00406 0.02069 201 2PX 0.01318 -0.00216 0.02270 -0.00083 0.00791 202 2PY 0.01580 0.00168 0.00031 0.00370 0.00730 203 2PZ 0.05871 0.03843 0.00529 0.00551 0.01015 204 3S 0.01542 -0.01513 0.00330 0.00321 -0.00619 205 3PX 0.00626 -0.00738 0.03827 -0.00112 0.00661 206 3PY 0.01037 -0.00026 -0.00022 0.00560 0.00816 207 3PZ 0.00455 0.01727 0.00582 0.00218 0.00000 208 4XX -0.00056 -0.00071 -0.00017 -0.00016 0.00005 209 4YY -0.00121 -0.00131 -0.00012 -0.00026 -0.00115 210 4ZZ 0.00018 0.00268 0.00047 0.00040 -0.00031 211 4XY 0.00018 0.00006 0.00012 -0.00003 0.00007 212 4XZ 0.00045 0.00003 0.00074 0.00001 0.00007 213 4YZ 0.00124 0.00052 0.00002 0.00020 0.00011 214 23 H 1S -0.00053 -0.00356 -0.00012 0.00012 -0.00402 215 2S -0.00873 -0.01423 -0.00025 0.00028 -0.01517 191 192 193 194 195 191 4XX 0.00124 192 4YY -0.00012 0.00176 193 4ZZ 0.00008 -0.00030 0.00137 194 4XY 0.00000 0.00000 0.00000 0.00058 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00073 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00093 0.00592 -0.00122 0.00049 0.00000 198 2S -0.00154 0.00505 -0.00229 0.00010 0.00000 199 22 C 1S 0.00001 0.00001 -0.00018 0.00000 -0.00003 200 2S -0.00044 -0.00062 0.00269 0.00005 0.00029 201 2PX 0.00004 -0.00012 0.00089 0.00011 0.00119 202 2PY -0.00008 0.00003 0.00105 0.00004 0.00006 203 2PZ -0.00092 -0.00097 0.00035 0.00019 0.00048 204 3S 0.00008 -0.00245 0.00345 0.00000 0.00009 205 3PX -0.00014 -0.00020 0.00070 0.00009 0.00104 206 3PY -0.00022 -0.00021 0.00061 -0.00001 -0.00001 207 3PZ -0.00007 -0.00103 -0.00014 0.00002 0.00006 208 4XX 0.00001 0.00001 -0.00005 0.00000 0.00001 209 4YY 0.00000 0.00003 -0.00006 0.00000 -0.00001 210 4ZZ -0.00003 -0.00007 -0.00001 -0.00002 0.00004 211 4XY 0.00000 0.00000 -0.00002 0.00000 -0.00002 212 4XZ 0.00001 0.00000 0.00004 0.00002 0.00000 213 4YZ -0.00003 0.00000 -0.00003 -0.00001 -0.00002 214 23 H 1S 0.00000 0.00000 0.00004 0.00000 0.00001 215 2S 0.00017 -0.00004 0.00008 0.00001 0.00004 196 197 198 199 200 196 4YZ 0.00098 197 21 H 1S 0.00079 0.21366 198 2S 0.00016 0.10180 0.13512 199 22 C 1S -0.00007 0.00000 0.00014 2.05355 200 2S 0.00078 -0.00014 -0.00200 -0.01405 0.33134 201 2PX 0.00021 -0.00001 -0.00025 0.00000 0.00000 202 2PY 0.00057 -0.00026 -0.00411 0.00000 0.00000 203 2PZ 0.00146 -0.00029 -0.00318 0.00000 0.00000 204 3S 0.00013 -0.00387 -0.01442 -0.03075 0.20797 205 3PX 0.00002 -0.00017 -0.00048 0.00000 0.00000 206 3PY 0.00013 -0.00014 -0.00128 0.00000 0.00000 207 3PZ 0.00005 -0.00259 -0.00700 0.00000 0.00000 208 4XX -0.00002 0.00000 0.00006 -0.00094 -0.00993 209 4YY -0.00001 0.00004 0.00060 -0.00138 -0.00170 210 4ZZ -0.00010 -0.00002 -0.00047 -0.00144 -0.00082 211 4XY -0.00001 0.00001 0.00004 0.00000 0.00000 212 4XZ -0.00001 0.00000 -0.00002 0.00000 0.00000 213 4YZ -0.00005 0.00005 0.00013 0.00000 0.00000 214 23 H 1S 0.00001 0.00000 -0.00042 -0.00210 0.03245 215 2S 0.00005 -0.00043 -0.00259 -0.00123 0.01134 201 202 203 204 205 201 2PX 0.34558 202 2PY 0.00000 0.41954 203 2PZ 0.00000 0.00000 0.40628 204 3S 0.00000 0.00000 0.00000 0.27304 205 3PX 0.12408 0.00000 0.00000 0.00000 0.14489 206 3PY 0.00000 0.07767 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.06670 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 -0.00657 0.00000 209 4YY 0.00000 0.00000 0.00000 -0.00100 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00044 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00897 0.03338 0.05675 0.05004 0.00427 215 2S 0.00566 0.01987 0.03528 0.04215 0.00411 206 207 208 209 210 206 3PY 0.05524 207 3PZ 0.00000 0.05201 208 4XX 0.00000 0.00000 0.00081 209 4YY 0.00000 0.00000 0.00005 0.00114 210 4ZZ 0.00000 0.00000 0.00004 -0.00019 0.00117 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.01353 0.02226 -0.00061 -0.00032 0.00152 215 2S 0.00976 0.01657 -0.00024 -0.00030 0.00187 211 212 213 214 215 211 4XY 0.00072 212 4XZ 0.00000 0.00063 213 4YZ 0.00000 0.00000 0.00146 214 23 H 1S 0.00054 0.00077 0.00336 0.21460 215 2S 0.00012 0.00013 0.00070 0.10561 0.14180 Gross orbital populations: 1 1 1 C 1S 1.99200 2 2S 0.71655 3 2PX 0.62439 4 2PY 0.78442 5 2PZ 0.64989 6 3S 0.56623 7 3PX 0.33328 8 3PY 0.17896 9 3PZ 0.31248 10 4XX -0.01214 11 4YY 0.00406 12 4ZZ -0.00796 13 4XY 0.00933 14 4XZ 0.00495 15 4YZ 0.01074 16 2 C 1S 1.99236 17 2S 0.72875 18 2PX 0.61520 19 2PY 0.73580 20 2PZ 0.62340 21 3S 0.38550 22 3PX 0.18932 23 3PY 0.02553 24 3PZ 0.19155 25 4XX -0.01462 26 4YY 0.01115 27 4ZZ -0.01500 28 4XY 0.02782 29 4XZ 0.00550 30 4YZ 0.02904 31 3 C 1S 1.99265 32 2S 0.69839 33 2PX 0.62190 34 2PY 0.75044 35 2PZ 0.67904 36 3S 0.60998 37 3PX 0.34940 38 3PY 0.19043 39 3PZ 0.32532 40 4XX -0.01394 41 4YY 0.00199 42 4ZZ -0.00315 43 4XY 0.00813 44 4XZ 0.00515 45 4YZ 0.01023 46 4 C 1S 1.99265 47 2S 0.69839 48 2PX 0.62192 49 2PY 0.75042 50 2PZ 0.67903 51 3S 0.61000 52 3PX 0.34934 53 3PY 0.19045 54 3PZ 0.32532 55 4XX -0.01394 56 4YY 0.00199 57 4ZZ -0.00315 58 4XY 0.00813 59 4XZ 0.00515 60 4YZ 0.01023 61 5 C 1S 1.99236 62 2S 0.72875 63 2PX 0.61525 64 2PY 0.73575 65 2PZ 0.62339 66 3S 0.38550 67 3PX 0.18926 68 3PY 0.02559 69 3PZ 0.19156 70 4XX -0.01461 71 4YY 0.01114 72 4ZZ -0.01501 73 4XY 0.02781 74 4XZ 0.00550 75 4YZ 0.02904 76 6 C 1S 1.99200 77 2S 0.71655 78 2PX 0.62440 79 2PY 0.78441 80 2PZ 0.64989 81 3S 0.56623 82 3PX 0.33330 83 3PY 0.17896 84 3PZ 0.31247 85 4XX -0.01214 86 4YY 0.00405 87 4ZZ -0.00796 88 4XY 0.00933 89 4XZ 0.00495 90 4YZ 0.01074 91 7 H 1S 0.52756 92 2S 0.31306 93 8 H 1S 0.52751 94 2S 0.30777 95 9 H 1S 0.52751 96 2S 0.30777 97 10 H 1S 0.52756 98 2S 0.31305 99 11 O 1S 1.99242 100 2S 0.90551 101 2PX 0.96427 102 2PY 0.91599 103 2PZ 0.98059 104 3S 1.06349 105 3PX 0.61536 106 3PY 0.44693 107 3PZ 0.62248 108 4XX -0.01269 109 4YY -0.00044 110 4ZZ -0.01312 111 4XY 0.00848 112 4XZ 0.00037 113 4YZ 0.00830 114 12 O 1S 1.99242 115 2S 0.90551 116 2PX 0.96430 117 2PY 0.91599 118 2PZ 0.98057 119 3S 1.06348 120 3PX 0.61535 121 3PY 0.44695 122 3PZ 0.62247 123 4XX -0.01269 124 4YY -0.00044 125 4ZZ -0.01312 126 4XY 0.00848 127 4XZ 0.00038 128 4YZ 0.00830 129 13 C 1S 1.99219 130 2S 0.68736 131 2PX 0.70948 132 2PY 0.67630 133 2PZ 0.73161 134 3S 0.59367 135 3PX 0.30495 136 3PY 0.25590 137 3PZ 0.31519 138 4XX 0.00525 139 4YY -0.00779 140 4ZZ 0.01084 141 4XY 0.00793 142 4XZ 0.00478 143 4YZ 0.00798 144 14 H 1S 0.51761 145 2S 0.30193 146 15 H 1S 0.52976 147 2S 0.31095 148 16 C 1S 1.99271 149 2S 0.71002 150 2PX 0.54600 151 2PY 0.74832 152 2PZ 0.71110 153 3S 0.61535 154 3PX 0.33507 155 3PY 0.22952 156 3PZ 0.24795 157 4XX -0.01841 158 4YY 0.01452 159 4ZZ -0.00571 160 4XY 0.00494 161 4XZ 0.00606 162 4YZ 0.00899 163 17 H 1S 0.52721 164 2S 0.30804 165 18 C 1S 1.99201 166 2S 0.71236 167 2PX 0.58850 168 2PY 0.75287 169 2PZ 0.72751 170 3S 0.51857 171 3PX 0.39826 172 3PY 0.20189 173 3PZ 0.19130 174 4XX -0.02110 175 4YY 0.00270 176 4ZZ 0.00505 177 4XY 0.00594 178 4XZ 0.00490 179 4YZ 0.01261 180 19 H 1S 0.52868 181 2S 0.32007 182 20 C 1S 1.99271 183 2S 0.71001 184 2PX 0.54603 185 2PY 0.74831 186 2PZ 0.71110 187 3S 0.61537 188 3PX 0.33502 189 3PY 0.22957 190 3PZ 0.24794 191 4XX -0.01841 192 4YY 0.01452 193 4ZZ -0.00571 194 4XY 0.00494 195 4XZ 0.00606 196 4YZ 0.00899 197 21 H 1S 0.52721 198 2S 0.30806 199 22 C 1S 1.99201 200 2S 0.71236 201 2PX 0.58850 202 2PY 0.75287 203 2PZ 0.72752 204 3S 0.51855 205 3PX 0.39825 206 3PY 0.20190 207 3PZ 0.19129 208 4XX -0.02109 209 4YY 0.00269 210 4ZZ 0.00505 211 4XY 0.00594 212 4XZ 0.00491 213 4YZ 0.01261 214 23 H 1S 0.52868 215 2S 0.32007 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.250526 0.370899 -0.112901 -0.001273 -0.013086 0.418608 2 C 0.370899 4.384210 0.353395 -0.005430 -0.016947 -0.013088 3 C -0.112901 0.353395 5.440582 0.298385 -0.005430 -0.001277 4 C -0.001273 -0.005430 0.298385 5.440555 0.353385 -0.112900 5 C -0.013086 -0.016947 -0.005430 0.353385 4.384236 0.370887 6 C 0.418608 -0.013088 -0.001277 -0.112900 0.370887 5.250549 7 H 0.341332 -0.031799 0.007115 -0.000725 0.003231 -0.035024 8 H 0.006579 -0.027287 0.343352 -0.033392 0.002153 -0.000512 9 H -0.000512 0.002153 -0.033391 0.343349 -0.027288 0.006579 10 H -0.035022 0.003230 -0.000725 0.007115 -0.031799 0.341333 11 O -0.067776 0.521200 -0.072884 0.005149 -0.000098 0.005855 12 O 0.005854 -0.000098 0.005149 -0.072882 0.521212 -0.067776 13 C 0.000121 0.001507 -0.026552 -0.026556 0.001508 0.000121 14 H -0.000002 -0.000029 0.003419 0.003419 -0.000029 -0.000002 15 H -0.000006 0.000334 -0.002933 -0.002934 0.000335 -0.000006 16 C -0.001232 -0.003655 0.104980 -0.030002 -0.000585 -0.001296 17 H 0.000094 -0.001178 -0.014866 0.001992 -0.000005 -0.000030 18 C 0.004818 -0.005195 -0.002856 -0.028249 -0.001262 0.000803 19 H 0.000542 0.000957 -0.000038 -0.000308 -0.000054 0.000129 20 C -0.001296 -0.000586 -0.030004 0.104995 -0.003656 -0.001233 21 H -0.000030 -0.000005 0.001992 -0.014860 -0.001177 0.000093 22 C 0.000804 -0.001262 -0.028254 -0.002867 -0.005196 0.004821 23 H 0.000129 -0.000054 -0.000308 -0.000039 0.000957 0.000542 7 8 9 10 11 12 1 C 0.341332 0.006579 -0.000512 -0.035022 -0.067776 0.005854 2 C -0.031799 -0.027287 0.002153 0.003230 0.521200 -0.000098 3 C 0.007115 0.343352 -0.033391 -0.000725 -0.072884 0.005149 4 C -0.000725 -0.033392 0.343349 0.007115 0.005149 -0.072882 5 C 0.003231 0.002153 -0.027288 -0.031799 -0.000098 0.521212 6 C -0.035024 -0.000512 0.006579 0.341333 0.005855 -0.067776 7 H 0.561669 -0.000159 0.000017 -0.006953 0.001998 -0.000069 8 H -0.000159 0.557397 -0.006739 0.000016 0.002395 -0.000055 9 H 0.000017 -0.006739 0.557404 -0.000159 -0.000055 0.002396 10 H -0.006953 0.000016 -0.000159 0.561665 -0.000069 0.001998 11 O 0.001998 0.002395 -0.000055 -0.000069 8.104047 0.000000 12 O -0.000069 -0.000055 0.002396 0.001998 0.000000 8.104010 13 C 0.000000 -0.003127 -0.003129 0.000000 0.000126 0.000126 14 H 0.000000 0.000053 0.000053 0.000000 -0.000001 -0.000001 15 H 0.000000 0.001510 0.001509 0.000000 0.000000 0.000000 16 C -0.000037 -0.008520 0.000560 0.000009 -0.003077 -0.000009 17 H -0.000002 -0.000165 -0.000070 0.000000 0.002482 0.000000 18 C -0.000107 0.000742 0.000592 0.000056 -0.001460 0.000092 19 H 0.000065 -0.000049 0.000005 -0.000001 0.000040 0.000000 20 C 0.000009 0.000560 -0.008522 -0.000037 -0.000009 -0.003074 21 H 0.000000 -0.000070 -0.000165 -0.000002 0.000000 0.002478 22 C 0.000056 0.000592 0.000743 -0.000107 0.000092 -0.001458 23 H -0.000001 0.000005 -0.000049 0.000065 0.000000 0.000040 13 14 15 16 17 18 1 C 0.000121 -0.000002 -0.000006 -0.001232 0.000094 0.004818 2 C 0.001507 -0.000029 0.000334 -0.003655 -0.001178 -0.005195 3 C -0.026552 0.003419 -0.002933 0.104980 -0.014866 -0.002856 4 C -0.026556 0.003419 -0.002934 -0.030002 0.001992 -0.028249 5 C 0.001508 -0.000029 0.000335 -0.000585 -0.000005 -0.001262 6 C 0.000121 -0.000002 -0.000006 -0.001296 -0.000030 0.000803 7 H 0.000000 0.000000 0.000000 -0.000037 -0.000002 -0.000107 8 H -0.003127 0.000053 0.001510 -0.008520 -0.000165 0.000742 9 H -0.003129 0.000053 0.001509 0.000560 -0.000070 0.000592 10 H 0.000000 0.000000 0.000000 0.000009 0.000000 0.000056 11 O 0.000126 -0.000001 0.000000 -0.003077 0.002482 -0.001460 12 O 0.000126 -0.000001 0.000000 -0.000009 0.000000 0.000092 13 C 5.117037 0.344230 0.368126 0.361798 -0.039358 -0.067752 14 H 0.344230 0.557162 -0.031424 -0.026293 0.000077 -0.002226 15 H 0.368126 -0.031424 0.566584 -0.034352 -0.001140 0.005413 16 C 0.361798 -0.026293 -0.034352 5.066793 0.366378 0.518835 17 H -0.039358 0.000077 -0.001140 0.366378 0.552364 -0.039631 18 C -0.067752 -0.002226 0.005413 0.518835 -0.039631 4.903766 19 H 0.006373 -0.000212 -0.000115 -0.049441 -0.003434 0.370584 20 C 0.361792 -0.026294 -0.034351 -0.072735 0.004903 -0.052835 21 H -0.039361 0.000077 -0.001139 0.004904 -0.000131 0.007083 22 C -0.067745 -0.002227 0.005413 -0.052842 0.007082 0.529005 23 H 0.006373 -0.000212 -0.000115 0.006253 -0.000109 -0.046844 19 20 21 22 23 1 C 0.000542 -0.001296 -0.000030 0.000804 0.000129 2 C 0.000957 -0.000586 -0.000005 -0.001262 -0.000054 3 C -0.000038 -0.030004 0.001992 -0.028254 -0.000308 4 C -0.000308 0.104995 -0.014860 -0.002867 -0.000039 5 C -0.000054 -0.003656 -0.001177 -0.005196 0.000957 6 C 0.000129 -0.001233 0.000093 0.004821 0.000542 7 H 0.000065 0.000009 0.000000 0.000056 -0.000001 8 H -0.000049 0.000560 -0.000070 0.000592 0.000005 9 H 0.000005 -0.008522 -0.000165 0.000743 -0.000049 10 H -0.000001 -0.000037 -0.000002 -0.000107 0.000065 11 O 0.000040 -0.000009 0.000000 0.000092 0.000000 12 O 0.000000 -0.003074 0.002478 -0.001458 0.000040 13 C 0.006373 0.361792 -0.039361 -0.067745 0.006373 14 H -0.000212 -0.026294 0.000077 -0.002227 -0.000212 15 H -0.000115 -0.034351 -0.001139 0.005413 -0.000115 16 C -0.049441 -0.072735 0.004904 -0.052842 0.006253 17 H -0.003434 0.004903 -0.000131 0.007082 -0.000109 18 C 0.370584 -0.052835 0.007083 0.529005 -0.046844 19 H 0.567611 0.006253 -0.000109 -0.046844 -0.003209 20 C 0.006253 5.066798 0.366381 0.518830 -0.049443 21 H -0.000109 0.366381 0.552387 -0.039636 -0.003435 22 C -0.046844 0.518830 -0.039636 4.903777 0.370584 23 H -0.003209 -0.049443 -0.003435 0.370584 0.567620 Mulliken charges: 1 1 C -0.167171 2 C 0.468726 3 C -0.225949 4 C -0.225928 5 C 0.468710 6 C -0.167177 7 H 0.159386 8 H 0.164721 9 H 0.164719 10 H 0.159387 11 O -0.497952 12 O -0.497929 13 C -0.295659 14 H 0.180464 15 H 0.159290 16 C -0.146433 17 H 0.164746 18 C -0.093372 19 H 0.151255 20 C -0.146445 21 H 0.164725 22 C -0.093360 23 H 0.151249 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.007785 2 C 0.468726 3 C -0.061228 4 C -0.061209 5 C 0.468710 6 C -0.007790 11 O -0.497952 12 O -0.497929 13 C 0.044094 16 C 0.018313 18 C 0.057883 20 C 0.018280 22 C 0.057889 Electronic spatial extent (au): = 1884.3755 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 3.0311 Y= 0.0009 Z= 1.0155 Tot= 3.1966 Quadrupole moment (field-independent basis, Debye-Ang): XX= -70.8599 YY= -90.9032 ZZ= -68.8689 XY= 0.0073 XZ= -5.1632 YZ= -0.0015 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 6.0174 YY= -14.0258 ZZ= 8.0084 XY= 0.0073 XZ= -5.1632 YZ= -0.0015 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -5.1548 YYY= 0.0283 ZZZ= -0.9526 XYY= 31.0557 XXY= -0.0215 XXZ= 1.2914 XZZ= -3.5533 YZZ= -0.0013 YYZ= 10.3293 XYZ= -0.0021 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1077.6447 YYYY= -1090.7979 ZZZZ= -386.0978 XXXY= 0.0282 XXXZ= -34.3849 YYYX= 0.0280 YYYZ= -0.0145 ZZZX= -7.6372 ZZZY= -0.0024 XXYY= -360.6892 XXZZ= -246.8924 YYZZ= -210.6075 XXYZ= 0.0022 YYXZ= -16.1830 ZZXY= -0.0068 N-N= 7.763171105747D+02 E-N=-2.891389550252D+03 KE= 5.702171742627D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.132681 29.025757 2 O -19.132677 29.026549 3 O -10.274828 15.888045 4 O -10.274817 15.885414 5 O -10.226034 15.889241 6 O -10.226021 15.886336 7 O -10.214673 15.872836 8 O -10.213865 15.886966 9 O -10.213575 15.884226 10 O -10.209366 15.880417 11 O -10.208868 15.891831 12 O -10.207658 15.875955 13 O -10.207118 15.886300 14 O -1.031512 2.599164 15 O -1.029419 2.647064 16 O -0.889688 1.403028 17 O -0.833707 1.611706 18 O -0.769957 1.577943 19 O -0.728831 1.512729 20 O -0.727870 1.554108 21 O -0.685767 1.855258 22 O -0.623253 1.412354 23 O -0.584889 1.486052 24 O -0.579918 1.376920 25 O -0.549247 1.335764 26 O -0.537791 0.982735 27 O -0.492160 1.409369 28 O -0.482318 1.660249 29 O -0.467598 1.060938 30 O -0.467211 1.593598 31 O -0.446772 1.187527 32 O -0.417005 2.128857 33 O -0.407499 1.353692 34 O -0.406966 1.311225 35 O -0.400062 1.632741 36 O -0.395705 1.353958 37 O -0.393202 1.495838 38 O -0.390815 1.748982 39 O -0.378760 1.566588 40 O -0.372123 1.423956 41 O -0.328525 1.280739 42 O -0.286863 1.379440 43 O -0.258064 1.592608 44 O -0.253997 1.804025 45 O -0.251415 1.980652 46 O -0.241141 2.008903 47 V -0.090785 1.805088 48 V -0.037406 1.483862 49 V -0.021625 1.392551 50 V 0.040890 1.917938 51 V 0.068749 1.618452 52 V 0.080162 0.951145 53 V 0.108375 1.001873 54 V 0.120677 0.990378 55 V 0.135532 1.044337 56 V 0.135801 1.294164 57 V 0.150967 1.218461 58 V 0.151349 1.184708 59 V 0.159622 1.496479 60 V 0.173768 1.333356 61 V 0.174865 1.295569 62 V 0.196987 1.531054 63 V 0.198687 1.664765 64 V 0.206701 1.324136 65 V 0.219130 1.582776 66 V 0.252740 1.680511 67 V 0.269471 1.445179 68 V 0.295176 1.713931 69 V 0.318337 1.935716 70 V 0.335707 1.539242 71 V 0.345343 2.189871 72 V 0.361956 2.304436 73 V 0.379301 1.639569 74 V 0.430844 1.700044 75 V 0.448568 2.609885 76 V 0.484256 2.208681 77 V 0.485576 1.819379 78 V 0.503484 1.824306 79 V 0.519258 2.032015 80 V 0.528308 2.069164 81 V 0.544281 1.932998 82 V 0.547906 2.193481 83 V 0.561370 2.009121 84 V 0.566987 2.075203 85 V 0.584447 2.038032 86 V 0.602200 2.223536 87 V 0.617970 2.577659 88 V 0.624392 2.121115 89 V 0.649042 2.522610 90 V 0.656888 2.583146 91 V 0.664586 3.131341 92 V 0.675699 2.673732 93 V 0.692432 2.480429 94 V 0.724775 2.442877 95 V 0.728669 2.462277 96 V 0.745725 2.505398 97 V 0.750018 2.587588 98 V 0.768374 2.422661 99 V 0.792247 2.601352 100 V 0.804183 2.416559 101 V 0.815441 2.547819 102 V 0.821303 2.825243 103 V 0.826034 2.566854 104 V 0.826843 2.689967 105 V 0.839264 2.810732 106 V 0.842468 2.799333 107 V 0.865704 2.481183 108 V 0.872995 2.677325 109 V 0.882909 2.465344 110 V 0.893399 2.565457 111 V 0.915763 2.467310 112 V 0.923459 2.539522 113 V 0.928690 2.451948 114 V 0.949092 2.710695 115 V 0.958545 2.419672 116 V 0.968052 2.616461 117 V 0.992014 2.808264 118 V 1.015250 2.381783 119 V 1.046405 3.018225 120 V 1.057894 2.984196 121 V 1.069961 2.755201 122 V 1.092699 2.428843 123 V 1.124889 3.029840 124 V 1.147160 2.334759 125 V 1.181569 2.455726 126 V 1.209184 2.415165 127 V 1.223873 2.485890 128 V 1.233216 2.544907 129 V 1.274260 2.459871 130 V 1.283349 2.410934 131 V 1.341694 2.768645 132 V 1.357901 2.616569 133 V 1.400708 2.537988 134 V 1.407986 2.627835 135 V 1.417868 2.603454 136 V 1.421164 2.621970 137 V 1.437181 2.689867 138 V 1.453600 2.654275 139 V 1.486342 2.714520 140 V 1.522523 2.877068 141 V 1.539890 2.719072 142 V 1.545170 2.743193 143 V 1.629123 2.869604 144 V 1.640405 2.861993 145 V 1.652418 2.945960 146 V 1.701798 3.250599 147 V 1.771286 2.839880 148 V 1.775331 3.043635 149 V 1.794640 3.108382 150 V 1.832378 2.922150 151 V 1.845109 3.083833 152 V 1.847216 3.289618 153 V 1.859507 3.252510 154 V 1.890074 3.198183 155 V 1.902588 3.164889 156 V 1.910449 3.312442 157 V 1.919811 3.029925 158 V 1.925172 3.385496 159 V 1.942494 3.435318 160 V 1.983054 3.607104 161 V 1.985866 3.369973 162 V 2.024525 3.655489 163 V 2.042196 3.471564 164 V 2.052209 3.533116 165 V 2.082753 3.426953 166 V 2.098604 3.496922 167 V 2.105087 3.475046 168 V 2.114876 3.611890 169 V 2.136705 3.522728 170 V 2.202047 3.776232 171 V 2.204496 3.613728 172 V 2.217545 3.544542 173 V 2.242019 3.550184 174 V 2.277688 3.603533 175 V 2.282254 3.648791 176 V 2.307565 3.794385 177 V 2.320176 3.783231 178 V 2.344152 3.634272 179 V 2.368284 3.753949 180 V 2.403899 3.736082 181 V 2.452222 4.004598 182 V 2.471292 3.860353 183 V 2.507152 4.166195 184 V 2.572446 4.088848 185 V 2.579786 4.024923 186 V 2.597409 3.867407 187 V 2.628733 4.144532 188 V 2.628846 4.574402 189 V 2.634113 4.188585 190 V 2.655797 4.452791 191 V 2.668956 4.212155 192 V 2.680992 4.189117 193 V 2.711677 4.496316 194 V 2.763726 4.538945 195 V 2.832387 4.520418 196 V 2.911436 4.763405 197 V 2.955431 4.473373 198 V 2.969668 4.701078 199 V 2.979076 4.940129 200 V 3.016254 5.041198 201 V 3.182016 4.869532 202 V 3.254017 5.166846 203 V 3.993272 10.222264 204 V 4.032010 10.096430 205 V 4.088942 10.510259 206 V 4.186725 10.275426 207 V 4.256675 10.345020 208 V 4.306649 10.413350 209 V 4.354250 10.444541 210 V 4.365590 10.630708 211 V 4.524813 10.466276 212 V 4.544713 10.816820 213 V 4.638199 10.713883 214 V 4.662150 11.232436 215 V 4.945299 11.803775 Total kinetic energy from orbitals= 5.702171742627D+02 1|1| IMPERIAL COLLEGE-CHWS-265|FTS|RB3LYP|6-31G(d)|C11H10O2|JR814|31-O ct-2016|0||# opt=(calcfc,ts) freq b3lyp/6-31g(d) geom=connectivity gfp rint integral=grid=ultrafine pop=full||Title Card Required||0,1|C,0.14 59883033,-1.8540626137,0.0179967843|C,0.9809955275,-2.6704312739,-0.90 50024545|C,2.0287086659,-1.9482290577,-1.6613329995|C,2.0731339329,-0. 5388542249,-1.6632407359|C,1.072847982,0.2498886406,-0.9091486322|C,0. 1882704222,-0.5097670869,0.0160938318|H,-0.5363639106,-2.4126695802,0. 6541419189|H,2.4272563803,-2.5034673487,-2.5055316006|H,2.5056595381,- 0.012134737,-2.5089879709|H,-0.4575754902,0.0924143344,0.6505912464|O, 0.7883808029,-3.876733771,-1.0231903387|O,0.9563562511,1.465554841,-1. 0308475428|C,4.5415142448,-1.3211449711,-1.0791314521|H,5.5852253015,- 1.3534694221,-0.7250779559|H,4.5578254596,-1.3231445524,-2.17037473|C, 3.781344908,-2.4513013288,-0.4222436994|H,3.9312651008,-3.4982672523,- 0.6628900993|C,3.3822589647,-1.9820409262,0.8412571893|H,2.9818189103, -2.5983214744,1.638649147|C,3.853921052,-0.1436673008,-0.4253489168|H, 4.0696325843,0.8911322598,-0.6686444712|C,3.4262908776,-0.5835079619,0 .8393613955|H,3.0654977511,0.0588738881,1.6350770865||Version=EM64W-G0 9RevD.01|State=1-A|HF=-575.5291475|RMSD=8.586e-009|RMSF=8.369e-006|Dip ole=1.1632877,-0.0359409,0.47662|Quadrupole=4.9653936,-10.4122612,5.44 68676,-0.489449,-3.8998195,0.1457221|PG=C01 [X(C11H10O2)]||@ DO NOT LET SELFISH MEN OR GREEDY INTERESTS SKIN YOUR COUNTRY OF ITS BEAUTY, ITS RICHES, OR ITS ROMANCE. -- THEODORE ROOSEVELT Job cpu time: 0 days 0 hours 30 minutes 20.0 seconds. File lengths (MBytes): RWF= 129 Int= 0 D2E= 0 Chk= 5 Scr= 1 Normal termination of Gaussian 09 at Mon Oct 31 15:25:32 2016. Link1: Proceeding to internal job step number 2. -------------------------------------------------------------------- #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) Freq -------------------------------------------------------------------- 1/5=1,10=4,29=7,30=1,38=1,40=1/1,3; 2/12=2,40=1/2; 3/5=1,6=6,7=1,11=2,14=-4,16=1,24=100,25=1,30=1,70=2,71=2,74=-5,75=-5,116=1,140=1/1,2,3; 4/5=101/1; 5/5=2,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1/2; 6/7=3,18=1,28=1/1; 7/8=1,10=1,25=1/1,2,3,16; 1/5=1,10=4,30=1/3; 99//99; Structure from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jr814\Desktop\3rd year computational lab\Exercise2\endo_opt+freq_as_TS_unfreeze_endo_JiajunREN.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,0.1459883033,-1.8540626137,0.0179967843 C,0,0.9809955275,-2.6704312739,-0.9050024545 C,0,2.0287086659,-1.9482290577,-1.6613329995 C,0,2.0731339329,-0.5388542249,-1.6632407359 C,0,1.072847982,0.2498886406,-0.9091486322 C,0,0.1882704222,-0.5097670869,0.0160938318 H,0,-0.5363639106,-2.4126695802,0.6541419189 H,0,2.4272563803,-2.5034673487,-2.5055316006 H,0,2.5056595381,-0.012134737,-2.5089879709 H,0,-0.4575754902,0.0924143344,0.6505912464 O,0,0.7883808029,-3.876733771,-1.0231903387 O,0,0.9563562511,1.465554841,-1.0308475428 C,0,4.5415142448,-1.3211449711,-1.0791314521 H,0,5.5852253015,-1.3534694221,-0.7250779559 H,0,4.5578254596,-1.3231445524,-2.17037473 C,0,3.781344908,-2.4513013288,-0.4222436994 H,0,3.9312651008,-3.4982672523,-0.6628900993 C,0,3.3822589647,-1.9820409262,0.8412571893 H,0,2.9818189103,-2.5983214744,1.638649147 C,0,3.853921052,-0.1436673008,-0.4253489168 H,0,4.0696325843,0.8911322598,-0.6686444712 C,0,3.4262908776,-0.5835079619,0.8393613955 H,0,3.0654977511,0.0588738881,1.6350770865 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4885 calculate D2E/DX2 analytically ! ! R2 R(1,6) 1.345 calculate D2E/DX2 analytically ! ! R3 R(1,7) 1.0873 calculate D2E/DX2 analytically ! ! R4 R(2,3) 1.4803 calculate D2E/DX2 analytically ! ! R5 R(2,11) 1.2273 calculate D2E/DX2 analytically ! ! R6 R(3,4) 1.4101 calculate D2E/DX2 analytically ! ! R7 R(3,8) 1.0862 calculate D2E/DX2 analytically ! ! R8 R(3,16) 2.2046 calculate D2E/DX2 analytically ! ! R9 R(4,5) 1.4803 calculate D2E/DX2 analytically ! ! R10 R(4,9) 1.0862 calculate D2E/DX2 analytically ! ! R11 R(4,20) 2.2045 calculate D2E/DX2 analytically ! ! R12 R(5,6) 1.4885 calculate D2E/DX2 analytically ! ! R13 R(5,12) 1.2273 calculate D2E/DX2 analytically ! ! R14 R(6,10) 1.0873 calculate D2E/DX2 analytically ! ! R15 R(13,14) 1.1026 calculate D2E/DX2 analytically ! ! R16 R(13,15) 1.0914 calculate D2E/DX2 analytically ! ! R17 R(13,16) 1.5122 calculate D2E/DX2 analytically ! ! R18 R(13,20) 1.5122 calculate D2E/DX2 analytically ! ! R19 R(16,17) 1.0847 calculate D2E/DX2 analytically ! ! R20 R(16,18) 1.4057 calculate D2E/DX2 analytically ! ! R21 R(18,19) 1.0844 calculate D2E/DX2 analytically ! ! R22 R(18,22) 1.3992 calculate D2E/DX2 analytically ! ! R23 R(20,21) 1.0847 calculate D2E/DX2 analytically ! ! R24 R(20,22) 1.4056 calculate D2E/DX2 analytically ! ! R25 R(22,23) 1.0844 calculate D2E/DX2 analytically ! ! A1 A(2,1,6) 121.983 calculate D2E/DX2 analytically ! ! A2 A(2,1,7) 115.6614 calculate D2E/DX2 analytically ! ! A3 A(6,1,7) 122.2785 calculate D2E/DX2 analytically ! ! A4 A(1,2,3) 116.5055 calculate D2E/DX2 analytically ! ! A5 A(1,2,11) 120.7136 calculate D2E/DX2 analytically ! ! A6 A(3,2,11) 122.7795 calculate D2E/DX2 analytically ! ! A7 A(2,3,4) 120.7051 calculate D2E/DX2 analytically ! ! A8 A(2,3,8) 114.0419 calculate D2E/DX2 analytically ! ! A9 A(2,3,16) 99.4493 calculate D2E/DX2 analytically ! ! A10 A(4,3,8) 119.8886 calculate D2E/DX2 analytically ! ! A11 A(4,3,16) 101.7589 calculate D2E/DX2 analytically ! ! A12 A(8,3,16) 91.6321 calculate D2E/DX2 analytically ! ! A13 A(3,4,5) 120.7022 calculate D2E/DX2 analytically ! ! A14 A(3,4,9) 119.8865 calculate D2E/DX2 analytically ! ! A15 A(3,4,20) 101.7631 calculate D2E/DX2 analytically ! ! A16 A(5,4,9) 114.0383 calculate D2E/DX2 analytically ! ! A17 A(5,4,20) 99.4556 calculate D2E/DX2 analytically ! ! A18 A(9,4,20) 91.6406 calculate D2E/DX2 analytically ! ! A19 A(4,5,6) 116.5058 calculate D2E/DX2 analytically ! ! A20 A(4,5,12) 122.779 calculate D2E/DX2 analytically ! ! A21 A(6,5,12) 120.7138 calculate D2E/DX2 analytically ! ! A22 A(1,6,5) 121.9825 calculate D2E/DX2 analytically ! ! A23 A(1,6,10) 122.2785 calculate D2E/DX2 analytically ! ! A24 A(5,6,10) 115.6619 calculate D2E/DX2 analytically ! ! A25 A(14,13,15) 107.8707 calculate D2E/DX2 analytically ! ! A26 A(14,13,16) 108.3279 calculate D2E/DX2 analytically ! ! A27 A(14,13,20) 108.3256 calculate D2E/DX2 analytically ! ! A28 A(15,13,16) 116.1358 calculate D2E/DX2 analytically ! ! A29 A(15,13,20) 116.137 calculate D2E/DX2 analytically ! ! A30 A(16,13,20) 99.53 calculate D2E/DX2 analytically ! ! A31 A(3,16,13) 89.1373 calculate D2E/DX2 analytically ! ! A32 A(3,16,17) 101.8556 calculate D2E/DX2 analytically ! ! A33 A(3,16,18) 101.7311 calculate D2E/DX2 analytically ! ! A34 A(13,16,17) 123.7478 calculate D2E/DX2 analytically ! ! A35 A(13,16,18) 106.4807 calculate D2E/DX2 analytically ! ! A36 A(17,16,18) 124.1173 calculate D2E/DX2 analytically ! ! A37 A(16,18,19) 125.174 calculate D2E/DX2 analytically ! ! A38 A(16,18,22) 108.8757 calculate D2E/DX2 analytically ! ! A39 A(19,18,22) 125.4951 calculate D2E/DX2 analytically ! ! A40 A(4,20,13) 89.1375 calculate D2E/DX2 analytically ! ! A41 A(4,20,21) 101.8714 calculate D2E/DX2 analytically ! ! A42 A(4,20,22) 101.7351 calculate D2E/DX2 analytically ! ! A43 A(13,20,21) 123.7419 calculate D2E/DX2 analytically ! ! A44 A(13,20,22) 106.4799 calculate D2E/DX2 analytically ! ! A45 A(21,20,22) 124.1136 calculate D2E/DX2 analytically ! ! A46 A(18,22,20) 108.8777 calculate D2E/DX2 analytically ! ! A47 A(18,22,23) 125.4935 calculate D2E/DX2 analytically ! ! A48 A(20,22,23) 125.1735 calculate D2E/DX2 analytically ! ! D1 D(6,1,2,3) 10.2296 calculate D2E/DX2 analytically ! ! D2 D(6,1,2,11) -169.3581 calculate D2E/DX2 analytically ! ! D3 D(7,1,2,3) -172.8969 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,11) 7.5155 calculate D2E/DX2 analytically ! ! D5 D(2,1,6,5) 0.0004 calculate D2E/DX2 analytically ! ! D6 D(2,1,6,10) 176.6662 calculate D2E/DX2 analytically ! ! D7 D(7,1,6,5) -176.6662 calculate D2E/DX2 analytically ! ! D8 D(7,1,6,10) -0.0004 calculate D2E/DX2 analytically ! ! D9 D(1,2,3,4) -10.084 calculate D2E/DX2 analytically ! ! D10 D(1,2,3,8) -164.1834 calculate D2E/DX2 analytically ! ! D11 D(1,2,3,16) 99.7396 calculate D2E/DX2 analytically ! ! D12 D(11,2,3,4) 169.4944 calculate D2E/DX2 analytically ! ! D13 D(11,2,3,8) 15.3949 calculate D2E/DX2 analytically ! ! D14 D(11,2,3,16) -80.6821 calculate D2E/DX2 analytically ! ! D15 D(2,3,4,5) -0.0123 calculate D2E/DX2 analytically ! ! D16 D(2,3,4,9) -152.5964 calculate D2E/DX2 analytically ! ! D17 D(2,3,4,20) 108.5791 calculate D2E/DX2 analytically ! ! D18 D(8,3,4,5) 152.5933 calculate D2E/DX2 analytically ! ! D19 D(8,3,4,9) 0.0092 calculate D2E/DX2 analytically ! ! D20 D(8,3,4,20) -98.8153 calculate D2E/DX2 analytically ! ! D21 D(16,3,4,5) -108.5943 calculate D2E/DX2 analytically ! ! D22 D(16,3,4,9) 98.8216 calculate D2E/DX2 analytically ! ! D23 D(16,3,4,20) -0.0029 calculate D2E/DX2 analytically ! ! D24 D(2,3,16,13) -163.3259 calculate D2E/DX2 analytically ! ! D25 D(2,3,16,17) 72.3031 calculate D2E/DX2 analytically ! ! D26 D(2,3,16,18) -56.6684 calculate D2E/DX2 analytically ! ! D27 D(4,3,16,13) -39.0356 calculate D2E/DX2 analytically ! ! D28 D(4,3,16,17) -163.4067 calculate D2E/DX2 analytically ! ! D29 D(4,3,16,18) 67.6219 calculate D2E/DX2 analytically ! ! D30 D(8,3,16,13) 81.9709 calculate D2E/DX2 analytically ! ! D31 D(8,3,16,17) -42.4002 calculate D2E/DX2 analytically ! ! D32 D(8,3,16,18) -171.3716 calculate D2E/DX2 analytically ! ! D33 D(3,4,5,6) 10.1023 calculate D2E/DX2 analytically ! ! D34 D(3,4,5,12) -169.4771 calculate D2E/DX2 analytically ! ! D35 D(9,4,5,6) 164.1818 calculate D2E/DX2 analytically ! ! D36 D(9,4,5,12) -15.3976 calculate D2E/DX2 analytically ! ! D37 D(20,4,5,6) -99.7296 calculate D2E/DX2 analytically ! ! D38 D(20,4,5,12) 80.691 calculate D2E/DX2 analytically ! ! D39 D(3,4,20,13) 39.0409 calculate D2E/DX2 analytically ! ! D40 D(3,4,20,21) 163.408 calculate D2E/DX2 analytically ! ! D41 D(3,4,20,22) -67.616 calculate D2E/DX2 analytically ! ! D42 D(5,4,20,13) 163.3317 calculate D2E/DX2 analytically ! ! D43 D(5,4,20,21) -72.3012 calculate D2E/DX2 analytically ! ! D44 D(5,4,20,22) 56.6748 calculate D2E/DX2 analytically ! ! D45 D(9,4,20,13) -81.9663 calculate D2E/DX2 analytically ! ! D46 D(9,4,20,21) 42.4007 calculate D2E/DX2 analytically ! ! D47 D(9,4,20,22) 171.3768 calculate D2E/DX2 analytically ! ! D48 D(4,5,6,1) -10.236 calculate D2E/DX2 analytically ! ! D49 D(4,5,6,10) 172.8912 calculate D2E/DX2 analytically ! ! D50 D(12,5,6,1) 169.3527 calculate D2E/DX2 analytically ! ! D51 D(12,5,6,10) -7.5202 calculate D2E/DX2 analytically ! ! D52 D(14,13,16,3) -174.2814 calculate D2E/DX2 analytically ! ! D53 D(14,13,16,17) -70.569 calculate D2E/DX2 analytically ! ! D54 D(14,13,16,18) 83.737 calculate D2E/DX2 analytically ! ! D55 D(15,13,16,3) -52.7729 calculate D2E/DX2 analytically ! ! D56 D(15,13,16,17) 50.9395 calculate D2E/DX2 analytically ! ! D57 D(15,13,16,18) -154.7546 calculate D2E/DX2 analytically ! ! D58 D(20,13,16,3) 72.6729 calculate D2E/DX2 analytically ! ! D59 D(20,13,16,17) 176.3853 calculate D2E/DX2 analytically ! ! D60 D(20,13,16,18) -29.3088 calculate D2E/DX2 analytically ! ! D61 D(14,13,20,4) 174.277 calculate D2E/DX2 analytically ! ! D62 D(14,13,20,21) 70.5461 calculate D2E/DX2 analytically ! ! D63 D(14,13,20,22) -83.7371 calculate D2E/DX2 analytically ! ! D64 D(15,13,20,4) 52.7695 calculate D2E/DX2 analytically ! ! D65 D(15,13,20,21) -50.9614 calculate D2E/DX2 analytically ! ! D66 D(15,13,20,22) 154.7553 calculate D2E/DX2 analytically ! ! D67 D(16,13,20,4) -72.6754 calculate D2E/DX2 analytically ! ! D68 D(16,13,20,21) -176.4063 calculate D2E/DX2 analytically ! ! D69 D(16,13,20,22) 29.3104 calculate D2E/DX2 analytically ! ! D70 D(3,16,18,19) 99.5134 calculate D2E/DX2 analytically ! ! D71 D(3,16,18,22) -73.082 calculate D2E/DX2 analytically ! ! D72 D(13,16,18,19) -167.8846 calculate D2E/DX2 analytically ! ! D73 D(13,16,18,22) 19.52 calculate D2E/DX2 analytically ! ! D74 D(17,16,18,19) -13.6986 calculate D2E/DX2 analytically ! ! D75 D(17,16,18,22) 173.706 calculate D2E/DX2 analytically ! ! D76 D(16,18,22,20) 0.0029 calculate D2E/DX2 analytically ! ! D77 D(16,18,22,23) 172.5677 calculate D2E/DX2 analytically ! ! D78 D(19,18,22,20) -172.5629 calculate D2E/DX2 analytically ! ! D79 D(19,18,22,23) 0.0019 calculate D2E/DX2 analytically ! ! D80 D(4,20,22,18) 73.079 calculate D2E/DX2 analytically ! ! D81 D(4,20,22,23) -99.5154 calculate D2E/DX2 analytically ! ! D82 D(13,20,22,18) -19.5243 calculate D2E/DX2 analytically ! ! D83 D(13,20,22,23) 167.8814 calculate D2E/DX2 analytically ! ! D84 D(21,20,22,18) -173.6868 calculate D2E/DX2 analytically ! ! D85 D(21,20,22,23) 13.7189 calculate D2E/DX2 analytically ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 2 maximum allowed number of steps= 2. Search for a saddle point of order 1. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.145988 -1.854063 0.017997 2 6 0 0.980996 -2.670431 -0.905002 3 6 0 2.028709 -1.948229 -1.661333 4 6 0 2.073134 -0.538854 -1.663241 5 6 0 1.072848 0.249889 -0.909149 6 6 0 0.188270 -0.509767 0.016094 7 1 0 -0.536364 -2.412670 0.654142 8 1 0 2.427256 -2.503467 -2.505532 9 1 0 2.505660 -0.012135 -2.508988 10 1 0 -0.457575 0.092414 0.650591 11 8 0 0.788381 -3.876734 -1.023190 12 8 0 0.956356 1.465555 -1.030848 13 6 0 4.541514 -1.321145 -1.079131 14 1 0 5.585225 -1.353469 -0.725078 15 1 0 4.557825 -1.323145 -2.170375 16 6 0 3.781345 -2.451301 -0.422244 17 1 0 3.931265 -3.498267 -0.662890 18 6 0 3.382259 -1.982041 0.841257 19 1 0 2.981819 -2.598321 1.638649 20 6 0 3.853921 -0.143667 -0.425349 21 1 0 4.069633 0.891132 -0.668644 22 6 0 3.426291 -0.583508 0.839361 23 1 0 3.065498 0.058874 1.635077 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.488497 0.000000 3 C 2.524609 1.480309 0.000000 4 C 2.875800 2.512233 1.410076 0.000000 5 C 2.478967 2.921767 2.512205 1.480318 0.000000 6 C 1.344962 2.478972 2.875786 2.524623 1.488499 7 H 1.087349 2.190834 3.486650 3.961177 3.481761 8 H 3.463251 2.163618 1.086187 2.166694 3.458877 9 H 3.917448 3.458889 2.166671 1.086186 2.163583 10 H 2.133832 3.481763 3.961165 3.486662 2.190841 11 O 2.363882 1.227287 2.380078 3.633414 4.137987 12 O 3.574441 4.137974 3.633369 2.380078 1.227284 13 C 4.561616 3.811586 2.654503 2.654442 3.811651 14 H 5.512536 4.792253 3.725470 3.725390 4.792305 15 H 4.953297 4.026172 2.654484 2.654428 4.026188 16 C 3.710300 2.850093 2.204577 2.848774 3.856094 17 H 4.182743 3.073763 2.649382 3.634760 4.720155 18 C 3.341794 3.047847 2.845382 3.173185 3.657705 19 H 3.349981 3.237075 3.495843 3.996197 4.271738 20 C 4.107405 3.855944 2.848772 2.204484 2.850143 21 H 4.837619 4.720199 3.634938 2.649545 3.074045 22 C 3.612386 3.657530 3.173196 2.845355 3.048037 23 H 3.846792 4.271564 3.996212 3.495850 3.237317 6 7 8 9 10 6 C 0.000000 7 H 2.133832 0.000000 8 H 3.917460 4.332993 0.000000 9 H 3.463231 5.002186 2.492568 0.000000 10 H 1.087348 2.506325 5.002196 4.332970 0.000000 11 O 3.574452 2.590729 2.601751 4.482384 4.484204 12 O 2.363882 4.484198 4.482341 2.601693 2.590744 13 C 4.561643 5.475446 2.811155 2.811174 5.475490 14 H 5.512558 6.363804 3.803325 3.803319 6.363842 15 H 4.953306 5.925852 2.458621 2.458616 5.925867 16 C 4.107539 4.450023 2.485229 3.454187 5.058647 17 H 4.837578 4.782552 2.578177 4.194466 5.820666 18 C 3.612485 3.946652 3.519220 3.984106 4.368529 19 H 3.846902 3.658050 4.182197 4.911006 4.477248 20 C 3.710242 5.058485 3.454155 2.485289 4.449987 21 H 4.182865 5.820659 4.194623 2.578520 4.782671 22 C 3.341853 4.368383 3.984046 3.519300 3.946761 23 H 3.350059 4.477071 4.910966 4.182312 3.658194 11 12 13 14 15 11 O 0.000000 12 O 5.344934 0.000000 13 C 4.540944 4.541078 0.000000 14 H 5.428209 5.428335 1.102602 0.000000 15 H 4.695270 4.695311 1.091367 1.773514 0.000000 16 C 3.369099 4.867517 1.512155 2.133290 2.220726 17 H 3.186028 5.798707 2.299026 2.709171 2.719604 18 C 3.714058 4.612559 2.338493 2.775170 3.299398 19 H 3.678437 5.267239 3.383809 3.730226 4.314920 20 C 4.867313 3.369289 1.512174 2.133278 2.220757 21 H 5.798695 3.186478 2.298987 2.708956 2.719660 22 C 4.612267 3.714420 2.338471 2.775123 3.299385 23 H 5.266940 3.678911 3.383786 3.730157 4.314914 16 17 18 19 20 16 C 0.000000 17 H 1.084677 0.000000 18 C 1.405670 2.205178 0.000000 19 H 2.215431 2.647345 1.084430 0.000000 20 C 2.308777 3.363889 2.281748 3.323549 0.000000 21 H 3.363880 4.391584 3.317742 4.322410 1.084682 22 C 2.281746 3.317767 1.399227 2.212666 1.405638 23 H 3.323550 4.322437 2.212650 2.658515 2.215398 21 22 23 21 H 0.000000 22 C 2.205115 0.000000 23 H 2.647277 1.084431 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.909451 -0.673086 0.721676 2 6 0 -1.111177 -1.461199 -0.256720 3 6 0 -0.138510 -0.704997 -1.077324 4 6 0 -0.138888 0.705079 -1.077209 5 6 0 -1.112173 1.460568 -0.256663 6 6 0 -1.909909 0.671875 0.721708 7 1 0 -2.530752 -1.253995 1.399065 8 1 0 0.221352 -1.246093 -1.947677 9 1 0 0.220552 1.246475 -1.947551 10 1 0 -2.531610 1.252330 1.399121 11 8 0 -1.272869 -2.672845 -0.366288 12 8 0 -1.274750 2.672089 -0.366252 13 6 0 2.385896 0.000798 -0.658257 14 1 0 3.451019 0.001156 -0.373225 15 1 0 2.330887 0.000864 -1.748237 16 6 0 1.706410 -1.153873 0.042917 17 1 0 1.873305 -2.195204 -0.210658 18 6 0 1.376141 -0.699322 1.331410 19 1 0 1.048373 -1.329146 2.151092 20 6 0 1.705629 1.154904 0.043133 21 1 0 1.872148 2.196379 -0.210115 22 6 0 1.375715 0.699905 1.331524 23 1 0 1.047583 1.329369 2.151338 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448200 0.9892099 0.6660599 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -3.608339976651 -1.271948487513 1.363769798992 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C1 Shell 2 SP 3 bf 2 - 5 -3.608339976651 -1.271948487513 1.363769798992 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C1 Shell 3 SP 1 bf 6 - 9 -3.608339976651 -1.271948487513 1.363769798992 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -3.608339976651 -1.271948487513 1.363769798992 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -2.099820929166 -2.761266347132 -0.485130971459 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C2 Shell 6 SP 3 bf 17 - 20 -2.099820929166 -2.761266347132 -0.485130971459 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C2 Shell 7 SP 1 bf 21 - 24 -2.099820929166 -2.761266347132 -0.485130971459 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -2.099820929166 -2.761266347132 -0.485130971459 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -0.261745320982 -1.332250558139 -2.035846627310 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 -0.261745320982 -1.332250558139 -2.035846627310 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 -0.261745320982 -1.332250558139 -2.035846627310 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -0.261745320982 -1.332250558139 -2.035846627310 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 -0.262460032208 1.332407029861 -2.035630499879 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 14 SP 3 bf 47 - 50 -0.262460032208 1.332407029861 -2.035630499879 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 15 SP 1 bf 51 - 54 -0.262460032208 1.332407029861 -2.035630499879 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 -0.262460032208 1.332407029861 -2.035630499879 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 -2.101702114270 2.760072806384 -0.485022848714 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 18 SP 3 bf 62 - 65 -2.101702114270 2.760072806384 -0.485022848714 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 19 SP 1 bf 66 - 69 -2.101702114270 2.760072806384 -0.485022848714 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 -2.101702114270 2.760072806384 -0.485022848714 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 -3.609204933041 1.269660557836 1.363830177900 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C6 Shell 22 SP 3 bf 77 - 80 -3.609204933041 1.269660557836 1.363830177900 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C6 Shell 23 SP 1 bf 81 - 84 -3.609204933041 1.269660557836 1.363830177900 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 -3.609204933041 1.269660557836 1.363830177900 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 -4.782428765308 -2.369708014801 2.643850127616 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 26 S 1 bf 92 - 92 -4.782428765308 -2.369708014801 2.643850127616 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 0.418295120247 -2.354774631827 -3.680576340717 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 28 S 1 bf 94 - 94 0.418295120247 -2.354774631827 -3.680576340717 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 0.416782401387 2.355496745619 -3.680337220187 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 0.416782401387 2.355496745619 -3.680337220187 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 -4.784048644461 2.366559796843 2.643954579792 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 -4.784048644461 2.366559796843 2.643954579792 0.1612777588D+00 0.1000000000D+01 Atom O11 Shell 33 S 6 bf 99 - 99 -2.405374333102 -5.050944744924 -0.692184401598 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O11 Shell 34 SP 3 bf 100 - 103 -2.405374333102 -5.050944744924 -0.692184401598 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O11 Shell 35 SP 1 bf 104 - 107 -2.405374333102 -5.050944744924 -0.692184401598 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O11 Shell 36 D 1 bf 108 - 113 -2.405374333102 -5.050944744924 -0.692184401598 0.8000000000D+00 0.1000000000D+01 Atom O12 Shell 37 S 6 bf 114 - 114 -2.408928062663 5.049516535843 -0.692116343262 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O12 Shell 38 SP 3 bf 115 - 118 -2.408928062663 5.049516535843 -0.692116343262 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O12 Shell 39 SP 1 bf 119 - 122 -2.408928062663 5.049516535843 -0.692116343262 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O12 Shell 40 D 1 bf 123 - 128 -2.408928062663 5.049516535843 -0.692116343262 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 4.508689143779 0.001508818137 -1.243925743859 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C13 Shell 42 SP 3 bf 130 - 133 4.508689143779 0.001508818137 -1.243925743859 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C13 Shell 43 SP 1 bf 134 - 137 4.508689143779 0.001508818137 -1.243925743859 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 4.508689143779 0.001508818137 -1.243925743859 0.8000000000D+00 0.1000000000D+01 Atom H14 Shell 45 S 3 bf 144 - 144 6.521480839814 0.002185161599 -0.705293001632 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 46 S 1 bf 145 - 145 6.521480839814 0.002185161599 -0.705293001632 0.1612777588D+00 0.1000000000D+01 Atom H15 Shell 47 S 3 bf 146 - 146 4.404738987706 0.001632288515 -3.303689135089 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H15 Shell 48 S 1 bf 147 - 147 4.404738987706 0.001632288515 -3.303689135089 0.1612777588D+00 0.1000000000D+01 Atom C16 Shell 49 S 6 bf 148 - 148 3.224647696182 -2.180504570592 0.081101077537 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C16 Shell 50 SP 3 bf 149 - 152 3.224647696182 -2.180504570592 0.081101077537 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C16 Shell 51 SP 1 bf 153 - 156 3.224647696182 -2.180504570592 0.081101077537 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 52 D 1 bf 157 - 162 3.224647696182 -2.180504570592 0.081101077537 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 53 S 3 bf 163 - 163 3.540033729575 -4.148335039037 -0.398085558448 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 54 S 1 bf 164 - 164 3.540033729575 -4.148335039037 -0.398085558448 0.1612777588D+00 0.1000000000D+01 Atom C18 Shell 55 S 6 bf 165 - 165 2.600530462621 -1.321527513112 2.516000819449 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C18 Shell 56 SP 3 bf 166 - 169 2.600530462621 -1.321527513112 2.516000819449 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C18 Shell 57 SP 1 bf 170 - 173 2.600530462621 -1.321527513112 2.516000819449 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C18 Shell 58 D 1 bf 174 - 179 2.600530462621 -1.321527513112 2.516000819449 0.8000000000D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 1.981138244472 -2.511721217734 4.064975072144 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 60 S 1 bf 181 - 181 1.981138244472 -2.511721217734 4.064975072144 0.1612777588D+00 0.1000000000D+01 Atom C20 Shell 61 S 6 bf 182 - 182 3.223171807692 2.182451601479 0.081509822307 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C20 Shell 62 SP 3 bf 183 - 186 3.223171807692 2.182451601479 0.081509822307 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C20 Shell 63 SP 1 bf 187 - 190 3.223171807692 2.182451601479 0.081509822307 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C20 Shell 64 D 1 bf 191 - 196 3.223171807692 2.182451601479 0.081509822307 0.8000000000D+00 0.1000000000D+01 Atom H21 Shell 65 S 3 bf 197 - 197 3.537846180298 4.150554953409 -0.397060557029 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 66 S 1 bf 198 - 198 3.537846180298 4.150554953409 -0.397060557029 0.1612777588D+00 0.1000000000D+01 Atom C22 Shell 67 S 6 bf 199 - 199 2.599723650317 1.322628627235 2.516216498201 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C22 Shell 68 SP 3 bf 200 - 203 2.599723650317 1.322628627235 2.516216498201 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C22 Shell 69 SP 1 bf 204 - 207 2.599723650317 1.322628627235 2.516216498201 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C22 Shell 70 D 1 bf 208 - 213 2.599723650317 1.322628627235 2.516216498201 0.8000000000D+00 0.1000000000D+01 Atom H23 Shell 71 S 3 bf 214 - 214 1.979644346737 2.512143843391 4.065438973434 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 72 S 1 bf 215 - 215 1.979644346737 2.512143843391 4.065438973434 0.1612777588D+00 0.1000000000D+01 There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 776.3171105747 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 215 RedAO= T EigKep= 6.20D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 Initial guess from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jr814\Desktop\3rd year computational lab\Exercise2\endo_opt+freq_as_TS_unfreeze_endo_JiajunREN.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -575.529147491 A.U. after 1 cycles NFock= 1 Conv=0.61D-08 -V/T= 2.0093 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 215 NBasis= 215 NAE= 46 NBE= 46 NFC= 0 NFV= 0 NROrb= 215 NOA= 46 NOB= 46 NVA= 169 NVB= 169 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 24 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 69 vectors produced by pass 0 Test12= 1.08D-14 1.39D-09 XBig12= 2.69D+02 8.91D+00. AX will form 69 AO Fock derivatives at one time. 69 vectors produced by pass 1 Test12= 1.08D-14 1.39D-09 XBig12= 5.51D+01 1.26D+00. 69 vectors produced by pass 2 Test12= 1.08D-14 1.39D-09 XBig12= 1.60D+00 1.98D-01. 69 vectors produced by pass 3 Test12= 1.08D-14 1.39D-09 XBig12= 1.22D-02 2.11D-02. 69 vectors produced by pass 4 Test12= 1.08D-14 1.39D-09 XBig12= 2.50D-05 8.17D-04. 63 vectors produced by pass 5 Test12= 1.08D-14 1.39D-09 XBig12= 2.42D-08 1.90D-05. 11 vectors produced by pass 6 Test12= 1.08D-14 1.39D-09 XBig12= 1.45D-11 5.09D-07. 2 vectors produced by pass 7 Test12= 1.08D-14 1.39D-09 XBig12= 1.04D-14 1.20D-08. InvSVY: IOpt=1 It= 1 EMax= 2.84D-14 Solved reduced A of dimension 421 with 72 vectors. Isotropic polarizability for W= 0.000000 117.61 Bohr**3. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.13268 -19.13268 -10.27483 -10.27482 -10.22603 Alpha occ. eigenvalues -- -10.22602 -10.21467 -10.21387 -10.21358 -10.20937 Alpha occ. eigenvalues -- -10.20887 -10.20766 -10.20712 -1.03151 -1.02942 Alpha occ. eigenvalues -- -0.88969 -0.83371 -0.76996 -0.72883 -0.72787 Alpha occ. eigenvalues -- -0.68577 -0.62325 -0.58489 -0.57992 -0.54925 Alpha occ. eigenvalues -- -0.53779 -0.49216 -0.48232 -0.46760 -0.46721 Alpha occ. eigenvalues -- -0.44677 -0.41700 -0.40750 -0.40697 -0.40006 Alpha occ. eigenvalues -- -0.39570 -0.39320 -0.39082 -0.37876 -0.37212 Alpha occ. eigenvalues -- -0.32852 -0.28686 -0.25806 -0.25400 -0.25142 Alpha occ. eigenvalues -- -0.24114 Alpha virt. eigenvalues -- -0.09078 -0.03741 -0.02163 0.04089 0.06875 Alpha virt. eigenvalues -- 0.08016 0.10838 0.12068 0.13553 0.13580 Alpha virt. eigenvalues -- 0.15097 0.15135 0.15962 0.17377 0.17486 Alpha virt. eigenvalues -- 0.19699 0.19869 0.20670 0.21913 0.25274 Alpha virt. eigenvalues -- 0.26947 0.29518 0.31834 0.33571 0.34534 Alpha virt. eigenvalues -- 0.36196 0.37930 0.43084 0.44857 0.48426 Alpha virt. eigenvalues -- 0.48558 0.50348 0.51926 0.52831 0.54428 Alpha virt. eigenvalues -- 0.54791 0.56137 0.56699 0.58445 0.60220 Alpha virt. eigenvalues -- 0.61797 0.62439 0.64904 0.65689 0.66459 Alpha virt. eigenvalues -- 0.67570 0.69243 0.72477 0.72867 0.74572 Alpha virt. eigenvalues -- 0.75002 0.76837 0.79225 0.80418 0.81544 Alpha virt. eigenvalues -- 0.82130 0.82603 0.82684 0.83926 0.84247 Alpha virt. eigenvalues -- 0.86570 0.87299 0.88291 0.89340 0.91576 Alpha virt. eigenvalues -- 0.92346 0.92869 0.94909 0.95855 0.96805 Alpha virt. eigenvalues -- 0.99201 1.01525 1.04640 1.05789 1.06996 Alpha virt. eigenvalues -- 1.09270 1.12489 1.14716 1.18157 1.20918 Alpha virt. eigenvalues -- 1.22387 1.23322 1.27426 1.28335 1.34169 Alpha virt. eigenvalues -- 1.35790 1.40071 1.40799 1.41787 1.42116 Alpha virt. eigenvalues -- 1.43718 1.45360 1.48634 1.52252 1.53989 Alpha virt. eigenvalues -- 1.54517 1.62912 1.64040 1.65242 1.70180 Alpha virt. eigenvalues -- 1.77129 1.77533 1.79464 1.83238 1.84511 Alpha virt. eigenvalues -- 1.84722 1.85951 1.89007 1.90259 1.91045 Alpha virt. eigenvalues -- 1.91981 1.92517 1.94249 1.98305 1.98587 Alpha virt. eigenvalues -- 2.02452 2.04220 2.05221 2.08275 2.09860 Alpha virt. eigenvalues -- 2.10509 2.11488 2.13671 2.20205 2.20450 Alpha virt. eigenvalues -- 2.21754 2.24202 2.27769 2.28225 2.30756 Alpha virt. eigenvalues -- 2.32018 2.34415 2.36828 2.40390 2.45222 Alpha virt. eigenvalues -- 2.47129 2.50715 2.57245 2.57979 2.59741 Alpha virt. eigenvalues -- 2.62873 2.62885 2.63411 2.65580 2.66896 Alpha virt. eigenvalues -- 2.68099 2.71168 2.76373 2.83239 2.91144 Alpha virt. eigenvalues -- 2.95543 2.96967 2.97908 3.01625 3.18202 Alpha virt. eigenvalues -- 3.25402 3.99327 4.03201 4.08894 4.18673 Alpha virt. eigenvalues -- 4.25667 4.30665 4.35425 4.36559 4.52481 Alpha virt. eigenvalues -- 4.54471 4.63820 4.66215 4.94530 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.13268 -19.13268 -10.27483 -10.27482 -10.22603 1 1 C 1S 0.00000 0.00002 -0.00138 0.00161 0.00012 2 2S -0.00005 0.00019 0.00034 -0.00026 0.00007 3 2PX 0.00002 0.00000 0.00006 -0.00011 0.00007 4 2PY 0.00008 0.00006 -0.00012 -0.00005 -0.00002 5 2PZ -0.00002 0.00000 -0.00006 0.00019 -0.00005 6 3S 0.00271 -0.00203 -0.01105 0.00346 0.00084 7 3PX 0.00077 -0.00117 -0.00378 0.00165 0.00006 8 3PY 0.00102 -0.00148 -0.00323 0.00066 0.00071 9 3PZ -0.00070 0.00114 0.00376 -0.00177 -0.00012 10 4XX 0.00003 0.00000 0.00014 -0.00021 0.00004 11 4YY 0.00006 -0.00007 0.00025 -0.00022 0.00004 12 4ZZ 0.00001 0.00000 0.00024 -0.00025 0.00007 13 4XY -0.00001 0.00001 -0.00009 0.00008 -0.00002 14 4XZ 0.00000 0.00005 -0.00004 0.00001 0.00000 15 4YZ 0.00002 -0.00001 0.00016 -0.00016 -0.00001 16 2 C 1S 0.00005 -0.00005 -0.65687 0.74477 0.00002 17 2S 0.00009 0.00025 -0.03307 0.03688 -0.00001 18 2PX -0.00001 0.00002 -0.00001 0.00000 -0.00023 19 2PY 0.00004 -0.00004 0.00028 -0.00044 -0.00007 20 2PZ 0.00000 0.00001 -0.00004 0.00004 0.00005 21 3S -0.00040 -0.00189 0.01225 -0.00912 0.00041 22 3PX -0.00024 0.00089 0.00138 -0.00110 -0.00043 23 3PY -0.00264 0.00616 0.00966 -0.00557 -0.00248 24 3PZ -0.00037 0.00042 0.00110 -0.00045 -0.00028 25 4XX 0.00005 -0.00008 0.00596 -0.00694 -0.00015 26 4YY 0.00028 -0.00092 0.00517 -0.00616 -0.00004 27 4ZZ 0.00006 -0.00010 0.00594 -0.00692 -0.00004 28 4XY 0.00003 -0.00012 -0.00013 0.00014 -0.00003 29 4XZ 0.00005 -0.00004 -0.00003 -0.00009 0.00000 30 4YZ 0.00001 -0.00007 -0.00007 0.00010 -0.00004 31 3 C 1S -0.00001 0.00006 -0.00134 0.00156 -0.00032 32 2S -0.00010 0.00031 0.00039 -0.00029 -0.00134 33 2PX -0.00005 0.00004 0.00002 0.00016 0.00000 34 2PY 0.00008 0.00005 -0.00011 -0.00010 0.00008 35 2PZ 0.00000 0.00005 0.00005 -0.00010 -0.00008 36 3S 0.00280 -0.00295 -0.01074 0.00407 0.00909 37 3PX -0.00031 0.00079 0.00284 -0.00170 0.00181 38 3PY 0.00123 -0.00134 -0.00303 0.00048 0.00237 39 3PZ 0.00088 -0.00152 -0.00360 0.00178 0.00250 40 4XX 0.00000 0.00004 0.00021 -0.00023 -0.00008 41 4YY 0.00004 0.00000 0.00019 -0.00022 -0.00032 42 4ZZ 0.00000 0.00008 0.00019 -0.00023 -0.00024 43 4XY 0.00003 0.00001 0.00015 -0.00014 0.00000 44 4XZ 0.00000 0.00004 -0.00003 0.00002 0.00018 45 4YZ 0.00001 0.00001 -0.00009 0.00008 0.00003 46 4 C 1S 0.00006 0.00001 0.00153 0.00138 0.00021 47 2S 0.00032 0.00004 -0.00042 -0.00024 0.00101 48 2PX 0.00006 -0.00003 0.00000 0.00016 0.00002 49 2PY -0.00002 -0.00010 -0.00010 0.00011 0.00013 50 2PZ 0.00005 0.00002 -0.00006 -0.00009 0.00005 51 3S -0.00383 0.00135 0.01117 0.00270 -0.00780 52 3PX 0.00085 0.00004 -0.00303 -0.00133 -0.00162 53 3PY 0.00173 -0.00058 -0.00307 -0.00009 0.00241 54 3PZ -0.00174 0.00019 0.00379 0.00132 -0.00197 55 4XX 0.00004 0.00002 -0.00023 -0.00020 0.00005 56 4YY -0.00001 0.00004 -0.00022 -0.00019 0.00023 57 4ZZ 0.00007 0.00004 -0.00022 -0.00021 0.00016 58 4XY 0.00001 -0.00003 0.00016 0.00012 0.00002 59 4XZ 0.00004 0.00002 0.00003 0.00001 -0.00011 60 4YZ 0.00000 -0.00002 -0.00010 -0.00007 0.00006 61 5 C 1S -0.00007 0.00002 0.74490 0.65672 -0.00002 62 2S 0.00019 0.00018 0.03743 0.03246 0.00002 63 2PX 0.00002 0.00000 0.00001 0.00000 0.00019 64 2PY 0.00005 -0.00002 0.00033 0.00040 -0.00005 65 2PZ 0.00001 0.00001 0.00004 0.00004 -0.00004 66 3S -0.00157 -0.00113 -0.01329 -0.00751 -0.00027 67 3PX 0.00091 0.00014 -0.00151 -0.00092 0.00019 68 3PY -0.00670 -0.00010 0.01028 0.00432 -0.00183 69 3PZ 0.00053 -0.00016 -0.00114 -0.00031 0.00036 70 4XX -0.00010 0.00001 -0.00678 -0.00614 0.00013 71 4YY -0.00096 -0.00012 -0.00590 -0.00546 0.00005 72 4ZZ -0.00012 0.00001 -0.00676 -0.00613 0.00004 73 4XY 0.00013 0.00002 -0.00015 -0.00013 -0.00003 74 4XZ -0.00006 0.00002 0.00001 -0.00009 0.00000 75 4YZ 0.00007 0.00002 -0.00008 -0.00009 -0.00003 76 6 C 1S 0.00002 0.00001 0.00157 0.00142 -0.00006 77 2S 0.00019 0.00003 -0.00037 -0.00022 -0.00003 78 2PX -0.00001 0.00002 -0.00007 -0.00010 -0.00003 79 2PY -0.00002 -0.00010 -0.00011 0.00007 -0.00002 80 2PZ 0.00001 -0.00002 0.00009 0.00018 0.00004 81 3S -0.00296 0.00165 0.01140 0.00205 -0.00099 82 3PX -0.00138 0.00022 0.00396 0.00117 -0.00011 83 3PY 0.00177 -0.00033 -0.00328 -0.00025 0.00056 84 3PZ 0.00133 -0.00018 -0.00395 -0.00129 0.00011 85 4XX -0.00001 0.00002 -0.00017 -0.00019 -0.00002 86 4YY -0.00009 0.00003 -0.00027 -0.00019 -0.00004 87 4ZZ -0.00001 0.00001 -0.00027 -0.00022 -0.00004 88 4XY -0.00001 0.00001 -0.00010 -0.00007 -0.00002 89 4XZ 0.00005 0.00002 0.00004 0.00001 0.00000 90 4YZ 0.00002 -0.00002 0.00018 0.00014 0.00000 91 7 H 1S 0.00003 -0.00008 -0.00014 0.00005 0.00003 92 2S 0.00027 -0.00076 -0.00136 0.00081 0.00006 93 8 H 1S 0.00001 -0.00005 -0.00006 0.00006 -0.00025 94 2S 0.00026 -0.00059 -0.00096 0.00054 0.00008 95 9 H 1S -0.00005 -0.00001 0.00007 0.00005 0.00023 96 2S -0.00064 0.00000 0.00102 0.00042 -0.00010 97 10 H 1S -0.00009 0.00000 0.00015 0.00003 -0.00001 98 2S -0.00081 -0.00006 0.00145 0.00064 -0.00006 99 11 O 1S -0.20651 0.97093 -0.00008 -0.00002 0.00010 100 2S -0.00511 0.02470 -0.00096 0.00061 0.00046 101 2PX -0.00003 0.00015 0.00002 -0.00002 0.00001 102 2PY -0.00023 0.00107 0.00005 -0.00004 0.00005 103 2PZ -0.00002 0.00009 0.00002 -0.00001 -0.00001 104 3S -0.00449 0.01632 0.00684 -0.00428 -0.00292 105 3PX -0.00011 0.00030 0.00023 -0.00013 -0.00014 106 3PY -0.00071 0.00224 0.00229 -0.00188 -0.00076 107 3PZ -0.00004 0.00022 0.00013 -0.00016 -0.00005 108 4XX 0.00184 -0.00821 -0.00066 0.00045 0.00027 109 4YY 0.00169 -0.00764 -0.00010 -0.00009 0.00024 110 4ZZ 0.00185 -0.00822 -0.00066 0.00045 0.00031 111 4XY -0.00003 0.00009 0.00007 -0.00006 -0.00003 112 4XZ -0.00001 0.00001 -0.00003 0.00005 -0.00001 113 4YZ -0.00001 0.00006 0.00006 -0.00007 -0.00001 114 12 O 1S 0.97092 0.20657 0.00007 -0.00003 -0.00007 115 2S 0.02464 0.00538 0.00103 0.00048 -0.00030 116 2PX 0.00015 0.00003 -0.00002 -0.00002 -0.00001 117 2PY -0.00107 -0.00023 0.00005 0.00003 0.00003 118 2PZ 0.00010 0.00002 -0.00002 -0.00001 0.00000 119 3S 0.01674 0.00254 -0.00732 -0.00339 0.00199 120 3PX 0.00032 0.00002 -0.00024 -0.00010 0.00011 121 3PY -0.00234 -0.00026 0.00251 0.00158 -0.00050 122 3PZ 0.00022 0.00005 -0.00015 -0.00015 0.00003 123 4XX -0.00825 -0.00166 0.00071 0.00036 -0.00017 124 4YY -0.00767 -0.00157 0.00009 -0.00011 -0.00016 125 4ZZ -0.00826 -0.00166 0.00071 0.00036 -0.00020 126 4XY -0.00010 -0.00001 0.00008 0.00005 -0.00003 127 4XZ 0.00002 0.00000 0.00004 0.00005 0.00001 128 4YZ -0.00006 -0.00002 0.00006 0.00006 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 -0.00002 0.00304 130 2S 0.00001 0.00002 -0.00001 -0.00015 0.00010 131 2PX 0.00000 0.00001 0.00000 -0.00006 -0.00002 132 2PY -0.00003 0.00002 0.00008 -0.00001 -0.00028 133 2PZ -0.00001 -0.00002 0.00000 0.00003 -0.00001 134 3S -0.00025 -0.00038 0.00010 0.00161 0.00165 135 3PX 0.00013 0.00020 -0.00003 -0.00042 -0.00035 136 3PY 0.00002 -0.00001 0.00020 -0.00001 -0.00289 137 3PZ -0.00007 -0.00010 0.00006 0.00090 0.00045 138 4XX 0.00000 0.00000 0.00000 0.00003 -0.00004 139 4YY 0.00001 0.00001 0.00000 0.00002 -0.00013 140 4ZZ -0.00001 -0.00001 0.00000 0.00003 -0.00007 141 4XY 0.00000 0.00000 -0.00003 0.00000 -0.00007 142 4XZ 0.00001 0.00001 0.00000 -0.00003 0.00003 143 4YZ 0.00000 0.00000 0.00005 0.00000 0.00011 144 14 H 1S 0.00000 0.00000 -0.00001 -0.00008 -0.00008 145 2S -0.00002 -0.00003 0.00000 0.00001 0.00004 146 15 H 1S 0.00002 0.00003 0.00000 -0.00004 -0.00004 147 2S -0.00003 -0.00004 0.00003 0.00042 0.00002 148 16 C 1S 0.00001 -0.00004 0.00005 0.00000 0.83847 149 2S 0.00007 -0.00018 -0.00009 0.00011 0.04324 150 2PX 0.00001 0.00002 -0.00015 0.00008 -0.00026 151 2PY -0.00001 -0.00002 0.00000 0.00008 0.00060 152 2PZ -0.00001 -0.00001 0.00006 0.00001 -0.00015 153 3S -0.00048 0.00114 0.00173 -0.00139 -0.02226 154 3PX 0.00017 -0.00029 -0.00015 -0.00024 0.00192 155 3PY -0.00010 0.00046 0.00109 -0.00134 -0.00654 156 3PZ -0.00019 0.00024 0.00071 -0.00046 -0.00160 157 4XX -0.00001 -0.00003 0.00010 0.00000 -0.00733 158 4YY 0.00001 -0.00006 0.00007 -0.00004 -0.00722 159 4ZZ 0.00001 -0.00006 0.00007 -0.00004 -0.00720 160 4XY 0.00001 -0.00001 -0.00004 -0.00001 0.00005 161 4XZ -0.00001 0.00000 -0.00001 0.00003 -0.00007 162 4YZ -0.00001 0.00000 -0.00001 0.00003 0.00010 163 17 H 1S 0.00001 0.00001 0.00004 -0.00007 -0.00029 164 2S -0.00001 0.00008 0.00039 -0.00054 0.00021 165 18 C 1S -0.00001 0.00000 0.00017 -0.00010 0.01150 166 2S -0.00005 0.00005 0.00043 -0.00020 0.00016 167 2PX 0.00000 0.00002 -0.00011 0.00010 -0.00011 168 2PY 0.00002 0.00002 -0.00005 0.00001 0.00008 169 2PZ 0.00000 0.00003 -0.00008 0.00001 0.00008 170 3S 0.00077 -0.00079 -0.00408 0.00144 0.01049 171 3PX 0.00005 -0.00009 0.00013 -0.00004 0.00121 172 3PY 0.00016 -0.00017 -0.00102 0.00001 0.00131 173 3PZ -0.00029 0.00037 0.00170 -0.00067 -0.00500 174 4XX -0.00002 0.00000 0.00021 -0.00009 -0.00024 175 4YY 0.00000 -0.00002 0.00016 -0.00010 -0.00028 176 4ZZ -0.00001 -0.00002 0.00009 -0.00002 -0.00037 177 4XY 0.00000 0.00000 0.00003 0.00002 0.00007 178 4XZ 0.00000 -0.00001 0.00002 -0.00002 0.00012 179 4YZ 0.00001 0.00000 0.00002 0.00000 -0.00009 180 19 H 1S 0.00001 -0.00002 0.00003 -0.00005 0.00000 181 2S 0.00003 -0.00005 -0.00029 0.00005 0.00092 182 20 C 1S -0.00004 -0.00001 -0.00005 0.00001 -0.53247 183 2S -0.00019 -0.00001 0.00010 0.00010 -0.02783 184 2PX 0.00002 0.00002 0.00016 0.00007 0.00017 185 2PY 0.00001 0.00002 -0.00001 -0.00008 0.00044 186 2PZ 0.00000 -0.00001 -0.00006 0.00001 0.00017 187 3S 0.00123 0.00003 -0.00189 -0.00116 0.01592 188 3PX -0.00033 0.00003 0.00012 -0.00026 -0.00167 189 3PY -0.00046 -0.00010 0.00125 0.00119 -0.00531 190 3PZ 0.00029 -0.00007 -0.00076 -0.00036 0.00127 191 4XX -0.00003 -0.00002 -0.00010 0.00002 0.00456 192 4YY -0.00006 -0.00002 -0.00008 -0.00003 0.00462 193 4ZZ -0.00006 -0.00001 -0.00007 -0.00003 0.00448 194 4XY 0.00001 -0.00001 -0.00003 0.00002 0.00009 195 4XZ 0.00000 -0.00001 0.00001 0.00002 0.00003 196 4YZ -0.00001 0.00001 -0.00001 -0.00002 0.00006 197 21 H 1S 0.00000 0.00002 -0.00005 -0.00007 0.00018 198 2S 0.00008 0.00003 -0.00046 -0.00048 0.00029 199 22 C 1S 0.00001 -0.00001 -0.00018 -0.00007 -0.00720 200 2S 0.00007 -0.00003 -0.00045 -0.00014 -0.00012 201 2PX 0.00002 0.00000 0.00012 0.00009 0.00009 202 2PY -0.00001 -0.00002 -0.00005 0.00000 0.00008 203 2PZ 0.00003 0.00002 0.00008 0.00000 -0.00006 204 3S -0.00104 0.00038 0.00423 0.00092 -0.00861 205 3PX -0.00011 0.00001 -0.00013 -0.00003 -0.00102 206 3PY 0.00022 -0.00007 -0.00102 0.00012 0.00139 207 3PZ 0.00046 -0.00012 -0.00177 -0.00046 0.00409 208 4XX 0.00001 -0.00002 -0.00022 -0.00007 0.00015 209 4YY -0.00002 0.00000 -0.00017 -0.00008 0.00022 210 4ZZ -0.00001 -0.00002 -0.00009 -0.00001 0.00027 211 4XY 0.00000 0.00000 0.00003 -0.00003 0.00006 212 4XZ -0.00001 0.00000 -0.00002 -0.00002 -0.00009 213 4YZ 0.00000 -0.00001 0.00002 0.00000 -0.00002 214 23 H 1S -0.00002 0.00000 -0.00004 -0.00005 -0.00004 215 2S -0.00005 0.00001 0.00030 0.00002 -0.00077 6 7 8 9 10 O O O O O Eigenvalues -- -10.22602 -10.21467 -10.21387 -10.21358 -10.20937 1 1 C 1S 0.00012 0.70193 -0.70211 0.00004 0.00054 2 2S 0.00008 0.03477 -0.03585 -0.00004 -0.00014 3 2PX 0.00008 0.00012 -0.00017 0.00000 -0.00010 4 2PY 0.00000 -0.00015 -0.00042 -0.00001 0.00001 5 2PZ -0.00002 -0.00009 0.00017 0.00000 0.00007 6 3S -0.00054 -0.00726 0.01899 0.00033 0.00054 7 3PX -0.00011 -0.00059 0.00290 0.00012 0.00004 8 3PY 0.00018 0.00078 0.00330 -0.00007 -0.00059 9 3PZ 0.00002 0.00068 -0.00342 -0.00011 -0.00006 10 4XX 0.00004 -0.00684 0.00652 0.00000 -0.00005 11 4YY 0.00001 -0.00669 0.00616 0.00000 0.00002 12 4ZZ 0.00007 -0.00684 0.00653 -0.00001 -0.00007 13 4XY 0.00001 0.00003 0.00001 0.00000 -0.00001 14 4XZ 0.00001 -0.00005 0.00007 -0.00002 -0.00004 15 4YZ -0.00003 -0.00003 -0.00001 0.00000 0.00005 16 2 C 1S 0.00000 -0.00174 0.00175 -0.00001 -0.00172 17 2S 0.00002 -0.00032 0.00037 -0.00007 -0.00044 18 2PX -0.00004 0.00014 -0.00010 0.00001 -0.00009 19 2PY -0.00003 -0.00009 0.00007 0.00002 -0.00005 20 2PZ 0.00001 -0.00011 0.00007 0.00002 0.00015 21 3S 0.00023 0.00249 -0.00630 0.00090 0.00285 22 3PX -0.00049 -0.00093 0.00156 0.00039 0.00201 23 3PY -0.00098 0.00104 -0.00279 -0.00022 0.00250 24 3PZ 0.00025 0.00089 -0.00179 -0.00060 -0.00135 25 4XX 0.00000 -0.00019 0.00019 0.00000 -0.00018 26 4YY 0.00003 -0.00013 0.00014 0.00004 -0.00022 27 4ZZ 0.00000 -0.00021 0.00025 -0.00001 -0.00024 28 4XY 0.00000 0.00004 -0.00009 0.00004 -0.00007 29 4XZ 0.00001 0.00012 -0.00013 -0.00002 0.00010 30 4YZ -0.00002 -0.00006 0.00006 -0.00001 0.00009 31 3 C 1S -0.00018 -0.00061 0.00004 -0.00047 0.70012 32 2S -0.00047 -0.00022 -0.00004 -0.00014 0.03537 33 2PX 0.00005 0.00003 -0.00002 -0.00011 0.00017 34 2PY -0.00014 0.00000 -0.00004 -0.00005 -0.00003 35 2PZ -0.00007 -0.00005 0.00001 0.00003 0.00028 36 3S 0.00100 0.00045 0.00240 -0.00026 -0.01108 37 3PX 0.00003 0.00006 -0.00074 0.00070 0.00023 38 3PY -0.00063 -0.00022 0.00166 0.00055 0.00119 39 3PZ 0.00069 0.00019 0.00061 -0.00040 -0.00154 40 4XX -0.00006 -0.00002 -0.00003 0.00002 -0.00644 41 4YY -0.00016 0.00000 0.00000 -0.00005 -0.00642 42 4ZZ -0.00015 -0.00002 -0.00006 -0.00012 -0.00630 43 4XY -0.00005 0.00001 -0.00002 0.00000 0.00005 44 4XZ 0.00012 -0.00003 -0.00001 0.00002 -0.00009 45 4YZ -0.00007 -0.00002 -0.00001 0.00007 0.00008 46 4 C 1S -0.00030 -0.00061 -0.00004 -0.00047 0.70406 47 2S -0.00100 -0.00022 0.00004 -0.00014 0.03557 48 2PX 0.00004 0.00003 0.00002 -0.00011 0.00017 49 2PY 0.00009 0.00000 -0.00004 0.00005 0.00003 50 2PZ -0.00010 -0.00005 -0.00001 0.00003 0.00028 51 3S 0.00477 0.00045 -0.00240 -0.00026 -0.01124 52 3PX 0.00080 0.00006 0.00074 0.00070 0.00024 53 3PY -0.00044 0.00022 0.00166 -0.00055 -0.00116 54 3PZ 0.00169 0.00019 -0.00061 -0.00040 -0.00157 55 4XX -0.00009 -0.00002 0.00003 0.00002 -0.00647 56 4YY -0.00028 0.00000 0.00000 -0.00005 -0.00645 57 4ZZ -0.00024 -0.00002 0.00006 -0.00012 -0.00633 58 4XY 0.00004 -0.00001 -0.00002 0.00000 -0.00005 59 4XZ 0.00019 -0.00003 0.00001 0.00002 -0.00009 60 4YZ 0.00005 0.00002 -0.00001 -0.00007 -0.00008 61 5 C 1S 0.00001 -0.00174 -0.00175 -0.00001 -0.00173 62 2S 0.00001 -0.00032 -0.00037 -0.00007 -0.00045 63 2PX -0.00013 0.00014 0.00010 0.00001 -0.00009 64 2PY 0.00006 0.00009 0.00007 -0.00002 0.00005 65 2PZ 0.00003 -0.00011 -0.00007 0.00002 0.00015 66 3S 0.00039 0.00249 0.00630 0.00090 0.00290 67 3PX -0.00063 -0.00093 -0.00156 0.00039 0.00203 68 3PY 0.00194 -0.00104 -0.00279 0.00022 -0.00253 69 3PZ 0.00011 0.00089 0.00179 -0.00060 -0.00136 70 4XX -0.00007 -0.00019 -0.00019 0.00000 -0.00018 71 4YY 0.00002 -0.00013 -0.00014 0.00004 -0.00022 72 4ZZ -0.00002 -0.00021 -0.00025 -0.00001 -0.00024 73 4XY 0.00002 -0.00004 -0.00009 -0.00004 0.00007 74 4XZ 0.00001 0.00012 0.00013 -0.00002 0.00010 75 4YZ 0.00004 0.00006 0.00006 0.00001 -0.00009 76 6 C 1S 0.00016 0.70171 0.70233 0.00004 0.00054 77 2S 0.00010 0.03476 0.03586 -0.00004 -0.00014 78 2PX 0.00010 0.00012 0.00017 0.00000 -0.00010 79 2PY 0.00001 0.00015 -0.00042 0.00001 -0.00001 80 2PZ -0.00004 -0.00009 -0.00017 0.00000 0.00007 81 3S -0.00014 -0.00725 -0.01899 0.00033 0.00051 82 3PX -0.00007 -0.00059 -0.00291 0.00012 0.00003 83 3PY -0.00046 -0.00078 0.00329 0.00007 0.00060 84 3PZ -0.00003 0.00068 0.00342 -0.00011 -0.00005 85 4XX 0.00006 -0.00684 -0.00652 0.00000 -0.00005 86 4YY 0.00003 -0.00669 -0.00616 0.00000 0.00002 87 4ZZ 0.00010 -0.00683 -0.00653 -0.00001 -0.00007 88 4XY -0.00001 -0.00003 0.00001 0.00000 0.00001 89 4XZ 0.00001 -0.00005 -0.00007 -0.00002 -0.00004 90 4YZ 0.00003 0.00003 -0.00001 0.00000 -0.00006 91 7 H 1S 0.00003 -0.00028 0.00032 -0.00001 -0.00007 92 2S 0.00000 0.00128 -0.00030 0.00004 0.00004 93 8 H 1S 0.00001 -0.00002 0.00007 0.00000 -0.00013 94 2S -0.00006 0.00004 0.00027 -0.00038 0.00169 95 9 H 1S -0.00010 -0.00002 -0.00007 0.00000 -0.00013 96 2S -0.00002 0.00004 -0.00027 -0.00038 0.00169 97 10 H 1S 0.00004 -0.00028 -0.00032 -0.00001 -0.00007 98 2S 0.00003 0.00128 0.00030 0.00004 0.00003 99 11 O 1S 0.00006 -0.00002 0.00000 0.00001 -0.00009 100 2S 0.00026 -0.00010 0.00002 0.00006 -0.00044 101 2PX 0.00000 -0.00001 0.00002 -0.00001 0.00000 102 2PY 0.00003 0.00000 -0.00002 0.00000 -0.00003 103 2PZ -0.00001 -0.00001 -0.00003 -0.00001 0.00000 104 3S -0.00152 0.00038 -0.00012 -0.00046 0.00236 105 3PX -0.00004 0.00013 -0.00030 -0.00003 -0.00008 106 3PY -0.00044 0.00008 0.00018 -0.00017 0.00068 107 3PZ -0.00004 -0.00001 0.00028 0.00009 0.00024 108 4XX 0.00018 -0.00005 -0.00004 0.00003 -0.00029 109 4YY 0.00013 -0.00001 0.00000 0.00000 -0.00014 110 4ZZ 0.00019 -0.00004 -0.00001 0.00003 -0.00030 111 4XY -0.00001 0.00001 -0.00005 0.00000 0.00002 112 4XZ 0.00001 -0.00004 0.00004 -0.00001 -0.00005 113 4YZ -0.00001 0.00003 0.00002 0.00001 0.00005 114 12 O 1S 0.00010 -0.00002 0.00000 0.00001 -0.00009 115 2S 0.00043 -0.00010 -0.00002 0.00006 -0.00044 116 2PX 0.00001 -0.00001 -0.00002 -0.00001 0.00000 117 2PY -0.00004 0.00000 -0.00002 0.00000 0.00003 118 2PZ -0.00001 -0.00001 0.00003 -0.00001 0.00000 119 3S -0.00262 0.00038 0.00012 -0.00046 0.00238 120 3PX -0.00010 0.00013 0.00030 -0.00003 -0.00008 121 3PY 0.00072 -0.00008 0.00018 0.00017 -0.00068 122 3PZ -0.00006 -0.00001 -0.00028 0.00009 0.00024 123 4XX 0.00027 -0.00005 0.00004 0.00003 -0.00029 124 4YY 0.00022 -0.00001 0.00000 0.00000 -0.00014 125 4ZZ 0.00030 -0.00004 0.00001 0.00003 -0.00030 126 4XY 0.00003 -0.00001 -0.00005 0.00000 -0.00002 127 4XZ 0.00001 -0.00004 -0.00004 -0.00001 -0.00005 128 4YZ 0.00001 -0.00003 0.00002 -0.00001 -0.00005 129 13 C 1S 0.01363 -0.00008 0.00000 0.99296 0.00059 130 2S 0.00046 -0.00007 0.00000 0.05055 -0.00011 131 2PX -0.00010 -0.00003 0.00000 -0.00020 0.00025 132 2PY 0.00006 0.00000 0.00004 0.00000 0.00000 133 2PZ -0.00004 0.00001 0.00000 0.00027 -0.00002 134 3S 0.00737 0.00089 0.00000 -0.02046 -0.00133 135 3PX -0.00158 -0.00033 0.00000 0.00177 -0.00036 136 3PY 0.00065 0.00000 -0.00001 0.00000 0.00000 137 3PZ 0.00200 0.00031 0.00000 -0.00188 -0.00105 138 4XX -0.00018 0.00003 0.00000 -0.00888 -0.00003 139 4YY -0.00056 -0.00001 0.00000 -0.00901 -0.00005 140 4ZZ -0.00031 -0.00001 0.00000 -0.00879 -0.00011 141 4XY 0.00001 0.00000 -0.00001 0.00000 0.00000 142 4XZ 0.00013 -0.00003 0.00000 0.00008 0.00010 143 4YZ -0.00003 0.00000 -0.00001 0.00000 0.00000 144 14 H 1S -0.00035 -0.00003 0.00000 0.00008 0.00008 145 2S 0.00016 0.00002 0.00000 0.00258 0.00070 146 15 H 1S -0.00019 -0.00001 0.00000 0.00005 -0.00001 147 2S 0.00011 0.00001 0.00000 0.00242 -0.00053 148 16 C 1S 0.53215 -0.00008 0.00005 -0.01004 -0.00002 149 2S 0.02657 0.00015 -0.00007 -0.00057 -0.00066 150 2PX -0.00015 -0.00004 0.00003 -0.00005 0.00007 151 2PY 0.00024 0.00002 0.00000 0.00001 -0.00015 152 2PZ 0.00008 0.00000 0.00005 0.00002 -0.00004 153 3S -0.00992 -0.00124 0.00063 0.00468 0.00310 154 3PX 0.00015 0.00027 -0.00029 0.00126 -0.00099 155 3PY -0.00145 -0.00055 0.00016 0.00152 0.00103 156 3PZ -0.00041 -0.00013 -0.00003 -0.00147 -0.00012 157 4XX -0.00489 0.00004 -0.00003 -0.00007 -0.00004 158 4YY -0.00449 0.00006 -0.00004 -0.00014 -0.00029 159 4ZZ -0.00477 0.00007 -0.00006 -0.00006 -0.00017 160 4XY -0.00011 0.00000 0.00000 -0.00010 -0.00003 161 4XZ -0.00007 0.00003 -0.00002 0.00007 0.00009 162 4YZ 0.00008 0.00000 0.00001 0.00009 -0.00003 163 17 H 1S -0.00021 0.00000 -0.00001 -0.00016 -0.00005 164 2S 0.00114 -0.00009 -0.00004 -0.00020 0.00014 165 18 C 1S 0.00754 -0.00053 0.00045 -0.00086 -0.00299 166 2S 0.00006 -0.00016 0.00021 -0.00032 -0.00026 167 2PX -0.00003 0.00015 -0.00011 -0.00003 0.00003 168 2PY -0.00002 -0.00007 -0.00002 -0.00001 -0.00006 169 2PZ 0.00003 0.00000 0.00000 0.00005 0.00019 170 3S 0.00209 0.00084 -0.00178 0.00046 -0.00056 171 3PX 0.00018 -0.00024 0.00048 0.00021 -0.00001 172 3PY -0.00049 0.00009 -0.00064 0.00002 0.00021 173 3PZ -0.00104 -0.00036 0.00023 -0.00047 0.00016 174 4XX -0.00016 -0.00013 0.00012 -0.00004 -0.00007 175 4YY -0.00008 -0.00006 0.00004 0.00001 -0.00008 176 4ZZ -0.00015 -0.00007 0.00007 0.00006 -0.00012 177 4XY 0.00001 0.00002 0.00003 0.00006 -0.00005 178 4XZ 0.00005 0.00001 0.00000 -0.00011 0.00001 179 4YZ -0.00014 -0.00002 0.00003 -0.00001 0.00007 180 19 H 1S -0.00010 -0.00008 0.00012 -0.00002 0.00009 181 2S 0.00014 0.00010 -0.00006 0.00031 0.00000 182 20 C 1S 0.83826 -0.00008 -0.00005 -0.01005 -0.00002 183 2S 0.04243 0.00015 0.00007 -0.00057 -0.00066 184 2PX -0.00025 -0.00004 -0.00003 -0.00005 0.00007 185 2PY -0.00047 -0.00002 0.00000 -0.00001 0.00015 186 2PZ 0.00000 0.00000 -0.00005 0.00002 -0.00004 187 3S -0.01845 -0.00124 -0.00063 0.00468 0.00313 188 3PX 0.00095 0.00027 0.00029 0.00126 -0.00100 189 3PY 0.00410 0.00055 0.00016 -0.00151 -0.00104 190 3PZ -0.00105 -0.00013 0.00003 -0.00147 -0.00011 191 4XX -0.00755 0.00004 0.00003 -0.00007 -0.00004 192 4YY -0.00714 0.00006 0.00004 -0.00014 -0.00030 193 4ZZ -0.00738 0.00007 0.00006 -0.00006 -0.00017 194 4XY 0.00008 0.00000 0.00000 0.00010 0.00003 195 4XZ -0.00009 0.00003 0.00002 0.00007 0.00010 196 4YZ -0.00012 0.00000 0.00001 -0.00009 0.00003 197 21 H 1S -0.00031 0.00000 0.00001 -0.00016 -0.00005 198 2S 0.00112 -0.00009 0.00004 -0.00020 0.00014 199 22 C 1S 0.01172 -0.00053 -0.00045 -0.00086 -0.00299 200 2S 0.00012 -0.00016 -0.00021 -0.00032 -0.00026 201 2PX -0.00007 0.00015 0.00011 -0.00003 0.00003 202 2PY -0.00002 0.00007 -0.00002 0.00001 0.00006 203 2PZ 0.00007 0.00000 0.00000 0.00005 0.00020 204 3S 0.00635 0.00084 0.00178 0.00046 -0.00057 205 3PX 0.00068 -0.00024 -0.00048 0.00021 -0.00001 206 3PY -0.00011 -0.00009 -0.00064 -0.00002 -0.00021 207 3PZ -0.00307 -0.00036 -0.00023 -0.00047 0.00016 208 4XX -0.00025 -0.00013 -0.00012 -0.00004 -0.00007 209 4YY -0.00019 -0.00006 -0.00004 0.00001 -0.00008 210 4ZZ -0.00029 -0.00007 -0.00007 0.00006 -0.00012 211 4XY -0.00004 -0.00002 0.00003 -0.00006 0.00005 212 4XZ 0.00010 0.00001 0.00000 -0.00011 0.00001 213 4YZ 0.00017 0.00002 0.00003 0.00001 -0.00007 214 23 H 1S -0.00009 -0.00008 -0.00012 -0.00002 0.00009 215 2S 0.00052 0.00010 0.00006 0.00031 -0.00001 11 12 13 14 15 O O O O O Eigenvalues -- -10.20887 -10.20766 -10.20712 -1.03151 -1.02942 1 1 C 1S 0.00009 0.00046 -0.00035 -0.01940 -0.01208 2 2S 0.00017 -0.00004 0.00012 0.03834 0.02284 3 2PX -0.00004 -0.00012 0.00011 0.01059 0.00761 4 2PY 0.00005 -0.00004 -0.00001 -0.00863 -0.01938 5 2PZ 0.00007 -0.00003 -0.00003 -0.01467 -0.01079 6 3S -0.00553 0.00021 -0.00115 0.01427 -0.03275 7 3PX -0.00149 0.00025 -0.00032 -0.00769 -0.00913 8 3PY -0.00341 0.00024 -0.00064 -0.01319 -0.02920 9 3PZ 0.00130 -0.00008 0.00026 0.00725 0.00609 10 4XX 0.00003 -0.00011 0.00012 -0.00023 -0.00010 11 4YY -0.00001 -0.00008 0.00006 0.00246 0.00157 12 4ZZ 0.00002 -0.00010 0.00009 0.00099 0.00127 13 4XY 0.00003 -0.00001 -0.00003 -0.00183 -0.00236 14 4XZ 0.00002 0.00001 0.00001 -0.00227 -0.00222 15 4YZ 0.00003 0.00002 -0.00004 0.00266 0.00320 16 2 C 1S -0.00176 0.00001 0.00001 -0.08702 -0.08536 17 2S -0.00064 -0.00005 0.00022 0.16796 0.16241 18 2PX 0.00005 -0.00010 0.00013 -0.01635 -0.01680 19 2PY -0.00003 -0.00007 0.00012 -0.11627 -0.12459 20 2PZ 0.00007 -0.00008 0.00010 -0.00990 -0.01051 21 3S 0.00837 0.00052 -0.00060 0.05884 0.05485 22 3PX 0.00321 0.00010 -0.00045 0.00606 0.00739 23 3PY 0.00598 -0.00079 0.00002 0.04332 0.06089 24 3PZ -0.00169 0.00019 -0.00031 0.00308 0.00574 25 4XX -0.00015 -0.00007 0.00016 -0.01292 -0.01339 26 4YY -0.00015 -0.00010 0.00022 0.01439 0.01301 27 4ZZ -0.00025 -0.00005 0.00015 -0.01320 -0.01377 28 4XY -0.00002 -0.00002 0.00002 0.00427 0.00422 29 4XZ 0.00009 -0.00002 0.00005 -0.00040 -0.00017 30 4YZ 0.00012 -0.00002 0.00002 0.00293 0.00283 31 3 C 1S 0.70446 0.00289 -0.00108 -0.01823 -0.01168 32 2S 0.03693 -0.00002 0.00007 0.03637 0.02298 33 2PX 0.00015 -0.00004 -0.00002 -0.01420 -0.01064 34 2PY 0.00025 -0.00009 -0.00002 -0.00857 -0.01823 35 2PZ 0.00040 -0.00018 0.00015 0.01050 0.00781 36 3S -0.02855 0.00036 -0.00058 0.00862 -0.03309 37 3PX 0.00239 -0.00010 0.00035 0.00586 0.00255 38 3PY -0.00522 0.00037 -0.00064 -0.01085 -0.02762 39 3PZ -0.00580 0.00060 -0.00074 -0.00897 -0.01120 40 4XX -0.00619 -0.00016 0.00010 0.00081 0.00117 41 4YY -0.00577 -0.00014 0.00008 0.00245 0.00134 42 4ZZ -0.00600 -0.00016 0.00009 0.00038 0.00039 43 4XY -0.00001 0.00002 -0.00004 0.00295 0.00323 44 4XZ -0.00001 0.00002 0.00001 -0.00214 -0.00217 45 4YZ -0.00005 -0.00003 -0.00003 -0.00171 -0.00228 46 4 C 1S -0.70052 0.00287 0.00110 -0.01826 0.01164 47 2S -0.03673 -0.00002 -0.00007 0.03642 -0.02291 48 2PX -0.00015 -0.00004 0.00002 -0.01423 0.01063 49 2PY 0.00025 0.00009 -0.00002 0.00860 -0.01820 50 2PZ -0.00040 -0.00018 -0.00016 0.01052 -0.00778 51 3S 0.02849 0.00036 0.00058 0.00856 0.03311 52 3PX -0.00239 -0.00010 -0.00035 0.00585 -0.00252 53 3PY -0.00523 -0.00037 -0.00064 0.01091 -0.02760 54 3PZ 0.00579 0.00059 0.00075 -0.00899 0.01118 55 4XX 0.00615 -0.00016 -0.00010 0.00082 -0.00117 56 4YY 0.00573 -0.00014 -0.00008 0.00245 -0.00133 57 4ZZ 0.00596 -0.00016 -0.00010 0.00038 -0.00039 58 4XY -0.00001 -0.00002 -0.00004 -0.00296 0.00323 59 4XZ 0.00001 0.00002 -0.00001 -0.00215 0.00217 60 4YZ -0.00005 0.00003 -0.00003 0.00172 -0.00227 61 5 C 1S 0.00175 0.00001 -0.00001 -0.08720 0.08517 62 2S 0.00064 -0.00004 -0.00022 0.16831 -0.16205 63 2PX -0.00005 -0.00010 -0.00013 -0.01648 0.01686 64 2PY -0.00003 0.00006 0.00012 0.11652 -0.12433 65 2PZ -0.00007 -0.00008 -0.00010 -0.00993 0.01049 66 3S -0.00835 0.00051 0.00060 0.05895 -0.05472 67 3PX -0.00320 0.00010 0.00045 0.00611 -0.00742 68 3PY 0.00596 0.00079 0.00003 -0.04344 0.06079 69 3PZ 0.00168 0.00018 0.00031 0.00309 -0.00573 70 4XX 0.00014 -0.00007 -0.00016 -0.01294 0.01335 71 4YY 0.00015 -0.00010 -0.00022 0.01441 -0.01298 72 4ZZ 0.00025 -0.00005 -0.00015 -0.01323 0.01375 73 4XY -0.00002 0.00002 0.00002 -0.00430 0.00424 74 4XZ -0.00009 -0.00002 -0.00005 -0.00040 0.00017 75 4YZ 0.00012 0.00002 0.00002 -0.00293 0.00283 76 6 C 1S -0.00009 0.00046 0.00035 -0.01942 0.01204 77 2S -0.00017 -0.00004 -0.00012 0.03838 -0.02275 78 2PX 0.00004 -0.00012 -0.00011 0.01060 -0.00758 79 2PY 0.00005 0.00004 -0.00001 0.00868 -0.01937 80 2PZ -0.00007 -0.00003 0.00003 -0.01469 0.01076 81 3S 0.00553 0.00021 0.00115 0.01421 0.03278 82 3PX 0.00149 0.00025 0.00032 -0.00772 0.00913 83 3PY -0.00341 -0.00024 -0.00064 0.01324 -0.02916 84 3PZ -0.00130 -0.00008 -0.00026 0.00726 -0.00608 85 4XX -0.00003 -0.00011 -0.00012 -0.00023 0.00010 86 4YY 0.00001 -0.00008 -0.00007 0.00247 -0.00157 87 4ZZ -0.00002 -0.00009 -0.00009 0.00099 -0.00126 88 4XY 0.00003 0.00001 -0.00003 0.00184 -0.00235 89 4XZ -0.00002 0.00001 -0.00001 -0.00227 0.00221 90 4YZ 0.00003 -0.00002 -0.00004 -0.00267 0.00319 91 7 H 1S -0.00014 0.00005 -0.00003 0.00626 0.00519 92 2S -0.00072 0.00005 -0.00016 -0.00647 -0.00382 93 8 H 1S -0.00001 0.00006 -0.00006 0.00624 0.00527 94 2S 0.00039 0.00032 -0.00053 -0.00447 -0.00321 95 9 H 1S 0.00001 0.00006 0.00006 0.00625 -0.00525 96 2S -0.00038 0.00032 0.00053 -0.00447 0.00320 97 10 H 1S 0.00013 0.00005 0.00003 0.00627 -0.00518 98 2S 0.00072 0.00005 0.00016 -0.00647 0.00380 99 11 O 1S -0.00008 0.00005 -0.00001 -0.13459 -0.13764 100 2S -0.00040 0.00020 -0.00006 0.28906 0.29264 101 2PX 0.00003 0.00003 -0.00004 0.01481 0.01505 102 2PY -0.00002 0.00003 -0.00004 0.11018 0.11180 103 2PZ -0.00002 0.00002 -0.00003 0.01024 0.01041 104 3S 0.00274 -0.00118 0.00027 0.29516 0.31725 105 3PX -0.00036 -0.00016 0.00020 0.00610 0.00706 106 3PY 0.00044 -0.00030 0.00004 0.04427 0.04923 107 3PZ 0.00040 -0.00014 0.00014 0.00435 0.00465 108 4XX -0.00022 0.00013 -0.00003 -0.00709 -0.00834 109 4YY -0.00020 0.00013 -0.00009 0.00619 0.00574 110 4ZZ -0.00022 0.00013 -0.00003 -0.00734 -0.00863 111 4XY -0.00004 -0.00003 0.00003 0.00192 0.00208 112 4XZ -0.00003 -0.00001 0.00001 0.00189 0.00203 113 4YZ 0.00007 -0.00003 0.00003 0.00125 0.00131 114 12 O 1S 0.00008 0.00005 0.00001 -0.13489 0.13735 115 2S 0.00039 0.00020 0.00006 0.28969 -0.29203 116 2PX -0.00003 0.00003 0.00004 0.01492 -0.01510 117 2PY -0.00001 -0.00003 -0.00004 -0.11041 0.11156 118 2PZ 0.00002 0.00002 0.00003 0.01026 -0.01039 119 3S -0.00273 -0.00118 -0.00028 0.29583 -0.31662 120 3PX 0.00035 -0.00016 -0.00020 0.00615 -0.00708 121 3PY 0.00043 0.00030 0.00004 -0.04436 0.04913 122 3PZ -0.00040 -0.00014 -0.00014 0.00436 -0.00464 123 4XX 0.00022 0.00013 0.00003 -0.00710 0.00832 124 4YY 0.00020 0.00013 0.00009 0.00620 -0.00573 125 4ZZ 0.00022 0.00013 0.00003 -0.00735 0.00861 126 4XY -0.00004 0.00003 0.00003 -0.00193 0.00209 127 4XZ 0.00003 -0.00001 -0.00001 0.00189 -0.00202 128 4YZ 0.00007 0.00003 0.00003 -0.00126 0.00130 129 13 C 1S 0.00000 0.00094 0.00000 -0.00169 0.00000 130 2S 0.00000 -0.00021 0.00000 0.00213 0.00000 131 2PX 0.00000 -0.00005 0.00000 -0.00116 0.00000 132 2PY 0.00026 0.00000 -0.00015 0.00000 -0.00014 133 2PZ 0.00000 -0.00006 0.00000 0.00042 0.00000 134 3S 0.00000 0.00034 0.00000 0.00369 0.00000 135 3PX 0.00000 0.00006 0.00000 0.00115 0.00000 136 3PY 0.00053 0.00000 -0.00035 0.00000 -0.00248 137 3PZ 0.00000 0.00081 0.00000 -0.00014 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00027 0.00000 139 4YY 0.00000 -0.00002 0.00000 0.00004 0.00000 140 4ZZ 0.00000 0.00009 0.00000 -0.00027 0.00000 141 4XY -0.00004 0.00000 -0.00001 0.00000 0.00010 142 4XZ 0.00000 -0.00008 0.00000 -0.00004 0.00000 143 4YZ 0.00001 0.00000 0.00000 0.00000 -0.00011 144 14 H 1S 0.00000 -0.00015 0.00000 0.00023 0.00000 145 2S 0.00000 -0.00005 0.00000 -0.00072 0.00000 146 15 H 1S 0.00000 0.00003 0.00000 0.00076 0.00000 147 2S 0.00000 0.00049 0.00000 -0.00092 0.00000 148 16 C 1S -0.00017 -0.01012 0.00978 -0.00276 -0.00154 149 2S -0.00122 -0.00065 0.00064 0.00376 0.00103 150 2PX -0.00006 -0.00003 0.00005 -0.00131 -0.00104 151 2PY -0.00015 -0.00005 0.00011 0.00059 -0.00026 152 2PZ -0.00008 -0.00018 0.00005 -0.00009 0.00003 153 3S 0.00564 0.00237 -0.00553 0.00765 0.01196 154 3PX -0.00174 -0.00022 0.00021 -0.00364 -0.00542 155 3PY 0.00240 0.00028 -0.00175 0.00342 0.00426 156 3PZ 0.00025 0.00110 -0.00168 0.00372 0.00502 157 4XX -0.00006 0.00006 -0.00004 -0.00016 -0.00003 158 4YY -0.00024 0.00007 0.00008 -0.00022 -0.00029 159 4ZZ -0.00021 -0.00008 0.00022 -0.00026 -0.00022 160 4XY -0.00015 -0.00003 -0.00004 -0.00010 -0.00016 161 4XZ 0.00012 0.00003 -0.00005 -0.00012 0.00004 162 4YZ -0.00003 -0.00003 0.00008 0.00014 0.00019 163 17 H 1S -0.00006 -0.00005 0.00000 0.00101 0.00056 164 2S 0.00047 0.00002 -0.00020 0.00328 0.00290 165 18 C 1S -0.00119 0.70457 -0.69939 -0.00172 -0.00022 166 2S -0.00024 0.03504 -0.03556 0.00433 0.00297 167 2PX -0.00002 -0.00011 0.00008 -0.00066 -0.00045 168 2PY 0.00001 -0.00008 -0.00031 0.00081 -0.00064 169 2PZ 0.00017 -0.00028 0.00034 -0.00145 -0.00058 170 3S -0.00129 -0.00741 0.01840 -0.00460 -0.02044 171 3PX -0.00010 -0.00006 0.00048 -0.00011 -0.00002 172 3PY 0.00044 0.00032 0.00416 -0.00004 -0.00557 173 3PZ 0.00087 0.00127 -0.00365 0.00292 0.00772 174 4XX -0.00007 -0.00675 0.00644 0.00021 0.00053 175 4YY -0.00006 -0.00678 0.00609 0.00017 -0.00007 176 4ZZ -0.00008 -0.00662 0.00627 0.00009 0.00021 177 4XY -0.00007 0.00002 -0.00007 -0.00005 0.00008 178 4XZ 0.00000 -0.00007 0.00011 -0.00001 -0.00003 179 4YZ -0.00002 -0.00007 0.00000 -0.00007 0.00005 180 19 H 1S 0.00003 -0.00035 0.00029 0.00061 0.00027 181 2S -0.00005 0.00111 -0.00039 0.00025 -0.00067 182 20 C 1S 0.00017 -0.01005 -0.00986 -0.00276 0.00153 183 2S 0.00121 -0.00064 -0.00065 0.00376 -0.00102 184 2PX 0.00006 -0.00003 -0.00005 -0.00131 0.00103 185 2PY -0.00015 0.00005 0.00011 -0.00059 -0.00026 186 2PZ 0.00008 -0.00018 -0.00006 -0.00009 -0.00003 187 3S -0.00563 0.00233 0.00555 0.00768 -0.01194 188 3PX 0.00174 -0.00022 -0.00021 -0.00365 0.00541 189 3PY 0.00240 -0.00026 -0.00176 -0.00344 0.00426 190 3PZ -0.00025 0.00108 0.00169 0.00372 -0.00501 191 4XX 0.00006 0.00006 0.00004 -0.00016 0.00003 192 4YY 0.00024 0.00008 -0.00008 -0.00022 0.00029 193 4ZZ 0.00021 -0.00008 -0.00022 -0.00026 0.00022 194 4XY -0.00015 0.00003 -0.00004 0.00010 -0.00016 195 4XZ -0.00012 0.00003 0.00005 -0.00012 -0.00004 196 4YZ -0.00003 0.00003 0.00008 -0.00014 0.00019 197 21 H 1S 0.00006 -0.00005 0.00000 0.00101 -0.00056 198 2S -0.00047 0.00002 0.00020 0.00328 -0.00289 199 22 C 1S 0.00116 0.69908 0.70489 -0.00172 0.00022 200 2S 0.00024 0.03476 0.03583 0.00433 -0.00295 201 2PX 0.00002 -0.00011 -0.00008 -0.00066 0.00044 202 2PY 0.00001 0.00008 -0.00031 -0.00081 -0.00064 203 2PZ -0.00017 -0.00028 -0.00035 -0.00145 0.00058 204 3S 0.00129 -0.00727 -0.01846 -0.00464 0.02043 205 3PX 0.00009 -0.00006 -0.00049 -0.00011 0.00002 206 3PY 0.00043 -0.00035 0.00416 0.00005 -0.00557 207 3PZ -0.00087 0.00124 0.00366 0.00294 -0.00771 208 4XX 0.00007 -0.00670 -0.00649 0.00021 -0.00053 209 4YY 0.00006 -0.00673 -0.00614 0.00017 0.00007 210 4ZZ 0.00008 -0.00657 -0.00632 0.00010 -0.00021 211 4XY -0.00007 -0.00002 -0.00007 0.00005 0.00008 212 4XZ 0.00000 -0.00007 -0.00011 -0.00001 0.00003 213 4YZ -0.00002 0.00007 0.00000 0.00007 0.00005 214 23 H 1S -0.00003 -0.00035 -0.00030 0.00061 -0.00027 215 2S 0.00005 0.00111 0.00040 0.00025 0.00067 16 17 18 19 20 O O O O O Eigenvalues -- -0.88969 -0.83371 -0.76996 -0.72883 -0.72787 1 1 C 1S -0.01316 -0.10976 0.10154 -0.02536 0.01447 2 2S 0.02473 0.21195 -0.19953 0.05093 -0.02814 3 2PX 0.00642 0.02386 0.01120 -0.01092 -0.01103 4 2PY 0.00823 0.06448 -0.06332 0.01813 0.01720 5 2PZ -0.00494 -0.02839 -0.01006 0.00742 0.01037 6 3S 0.01563 0.14133 -0.15586 0.04103 -0.03703 7 3PX 0.00126 0.00142 0.00501 -0.00414 -0.00447 8 3PY 0.00083 0.00491 0.00037 -0.00081 -0.00857 9 3PZ -0.00016 -0.00148 -0.00516 0.00246 0.00117 10 4XX -0.00027 -0.00628 0.00687 -0.00228 -0.00058 11 4YY 0.00017 0.00375 -0.00560 0.00174 0.00183 12 4ZZ -0.00060 -0.00466 0.00595 -0.00163 -0.00047 13 4XY 0.00024 0.00123 -0.00129 0.00031 0.00076 14 4XZ -0.00098 -0.00687 0.00351 -0.00074 0.00208 15 4YZ -0.00027 -0.00142 0.00131 -0.00046 -0.00053 16 2 C 1S -0.00832 -0.04855 -0.00655 0.00744 0.02723 17 2S 0.01662 0.09495 0.01404 -0.01593 -0.05796 18 2PX 0.01294 0.00476 0.07195 -0.02328 -0.02685 19 2PY 0.03225 0.12615 0.01114 -0.01297 -0.04937 20 2PZ -0.00099 0.01719 -0.07320 0.01846 0.00408 21 3S 0.00842 0.06472 0.00799 -0.00678 -0.03414 22 3PX 0.00026 0.00241 0.00461 -0.00114 0.00267 23 3PY 0.00681 0.03459 -0.00108 0.00031 0.00241 24 3PZ 0.00050 0.00386 -0.00668 -0.00119 -0.00412 25 4XX 0.00170 0.00136 0.00076 -0.00003 -0.00183 26 4YY -0.00167 -0.00552 -0.00074 0.00072 0.00472 27 4ZZ 0.00108 0.00238 -0.00075 0.00024 -0.00107 28 4XY 0.00050 -0.00192 0.00667 -0.00173 -0.00001 29 4XZ -0.00151 -0.00754 -0.00079 -0.00009 0.00282 30 4YZ -0.00057 0.00066 -0.00711 0.00172 0.00066 31 3 C 1S -0.03588 -0.07983 -0.11491 0.02597 0.03761 32 2S 0.06787 0.15076 0.22172 -0.05119 -0.06894 33 2PX 0.00695 -0.03422 -0.00457 0.02020 0.00252 34 2PY 0.01791 0.04108 0.05965 -0.01223 0.04207 35 2PZ 0.01092 0.02094 -0.01247 -0.00673 -0.01448 36 3S 0.04578 0.10840 0.18606 -0.04676 -0.09704 37 3PX 0.00218 -0.00161 0.00403 0.00941 0.00187 38 3PY 0.00153 0.00480 0.00307 0.00134 -0.00059 39 3PZ 0.00140 0.00335 -0.00335 -0.00351 -0.01647 40 4XX -0.00121 -0.00442 -0.00792 0.00308 0.00023 41 4YY 0.00073 0.00173 0.00508 -0.00145 0.00453 42 4ZZ -0.00097 -0.00323 -0.00517 0.00014 -0.00059 43 4XY 0.00017 -0.00056 -0.00012 0.00007 -0.00016 44 4XZ -0.00059 -0.00549 -0.00395 0.00139 0.00203 45 4YZ 0.00089 0.00126 0.00213 -0.00012 0.00039 46 4 C 1S -0.03588 -0.07983 -0.11491 0.02606 -0.03755 47 2S 0.06787 0.15076 0.22172 -0.05135 0.06882 48 2PX 0.00696 -0.03420 -0.00454 0.02020 -0.00250 49 2PY -0.01791 -0.04110 -0.05965 0.01214 0.04210 50 2PZ 0.01092 0.02093 -0.01249 -0.00676 0.01446 51 3S 0.04578 0.10840 0.18607 -0.04700 0.09693 52 3PX 0.00218 -0.00161 0.00403 0.00943 -0.00185 53 3PY -0.00153 -0.00480 -0.00307 -0.00133 -0.00059 54 3PZ 0.00140 0.00334 -0.00336 -0.00355 0.01646 55 4XX -0.00121 -0.00442 -0.00792 0.00308 -0.00022 56 4YY 0.00073 0.00173 0.00508 -0.00144 -0.00453 57 4ZZ -0.00097 -0.00323 -0.00517 0.00014 0.00059 58 4XY -0.00017 0.00056 0.00011 -0.00007 -0.00016 59 4XZ -0.00059 -0.00549 -0.00395 0.00140 -0.00203 60 4YZ -0.00089 -0.00126 -0.00213 0.00012 0.00039 61 5 C 1S -0.00832 -0.04855 -0.00655 0.00750 -0.02722 62 2S 0.01662 0.09495 0.01404 -0.01607 0.05792 63 2PX 0.01297 0.00485 0.07197 -0.02336 0.02683 64 2PY -0.03224 -0.12615 -0.01109 0.01306 -0.04931 65 2PZ -0.00099 0.01719 -0.07320 0.01848 -0.00403 66 3S 0.00842 0.06472 0.00799 -0.00686 0.03412 67 3PX 0.00026 0.00243 0.00461 -0.00113 -0.00267 68 3PY -0.00680 -0.03459 0.00109 -0.00032 0.00240 69 3PZ 0.00050 0.00386 -0.00668 -0.00120 0.00412 70 4XX 0.00170 0.00136 0.00077 -0.00004 0.00183 71 4YY -0.00167 -0.00552 -0.00074 0.00073 -0.00472 72 4ZZ 0.00108 0.00238 -0.00075 0.00024 0.00107 73 4XY -0.00050 0.00193 -0.00667 0.00173 0.00000 74 4XZ -0.00151 -0.00754 -0.00079 -0.00008 -0.00282 75 4YZ 0.00057 -0.00066 0.00711 -0.00172 0.00066 76 6 C 1S -0.01316 -0.10976 0.10154 -0.02533 -0.01453 77 2S 0.02473 0.21195 -0.19953 0.05087 0.02826 78 2PX 0.00642 0.02390 0.01116 -0.01093 0.01100 79 2PY -0.00822 -0.06446 0.06333 -0.01818 0.01716 80 2PZ -0.00494 -0.02839 -0.01005 0.00745 -0.01035 81 3S 0.01563 0.14133 -0.15586 0.04093 0.03713 82 3PX 0.00126 0.00143 0.00501 -0.00415 0.00446 83 3PY -0.00083 -0.00491 -0.00037 0.00083 -0.00856 84 3PZ -0.00016 -0.00148 -0.00516 0.00247 -0.00116 85 4XX -0.00027 -0.00628 0.00686 -0.00229 0.00057 86 4YY 0.00017 0.00375 -0.00560 0.00175 -0.00182 87 4ZZ -0.00060 -0.00466 0.00595 -0.00163 0.00047 88 4XY -0.00024 -0.00124 0.00130 -0.00031 0.00077 89 4XZ -0.00098 -0.00687 0.00351 -0.00073 -0.00208 90 4YZ 0.00027 0.00142 -0.00131 0.00046 -0.00053 91 7 H 1S 0.00389 0.04401 -0.05765 0.01760 -0.00859 92 2S -0.00008 0.00249 -0.00791 0.00316 -0.00286 93 8 H 1S 0.01578 0.03087 0.06606 -0.00917 -0.02928 94 2S 0.00130 0.00136 0.00989 0.00064 -0.01138 95 9 H 1S 0.01578 0.03087 0.06606 -0.00924 0.02926 96 2S 0.00130 0.00136 0.00989 0.00061 0.01138 97 10 H 1S 0.00389 0.04401 -0.05764 0.01758 0.00863 98 2S -0.00008 0.00249 -0.00791 0.00315 0.00287 99 11 O 1S 0.01450 0.04500 0.00398 -0.00404 -0.02167 100 2S -0.03329 -0.10319 -0.00839 0.00907 0.04818 101 2PX 0.00060 -0.00417 0.01544 -0.00537 -0.00671 102 2PY -0.00744 -0.01319 -0.00056 -0.00060 -0.00275 103 2PZ -0.00131 -0.00006 -0.01650 0.00439 0.00191 104 3S -0.02726 -0.08976 -0.01211 0.01093 0.06156 105 3PX 0.00113 -0.00047 0.00605 -0.00257 -0.00480 106 3PY -0.00055 0.00255 -0.00036 -0.00090 -0.00192 107 3PZ -0.00017 0.00022 -0.00656 0.00221 0.00148 108 4XX 0.00016 0.00000 0.00071 -0.00018 -0.00098 109 4YY -0.00043 0.00065 0.00031 -0.00039 -0.00177 110 4ZZ 0.00000 0.00016 -0.00002 0.00004 -0.00050 111 4XY 0.00027 -0.00020 0.00193 -0.00071 -0.00111 112 4XZ -0.00009 -0.00045 -0.00018 0.00000 0.00027 113 4YZ -0.00009 0.00016 -0.00204 0.00055 0.00013 114 12 O 1S 0.01450 0.04500 0.00398 -0.00409 0.02165 115 2S -0.03329 -0.10319 -0.00839 0.00919 -0.04815 116 2PX 0.00060 -0.00418 0.01544 -0.00539 0.00670 117 2PY 0.00744 0.01319 0.00057 0.00061 -0.00274 118 2PZ -0.00131 -0.00006 -0.01650 0.00440 -0.00189 119 3S -0.02726 -0.08976 -0.01211 0.01108 -0.06153 120 3PX 0.00113 -0.00046 0.00605 -0.00258 0.00479 121 3PY 0.00055 -0.00255 0.00036 0.00090 -0.00192 122 3PZ -0.00017 0.00022 -0.00656 0.00222 -0.00148 123 4XX 0.00016 0.00000 0.00071 -0.00018 0.00098 124 4YY -0.00043 0.00065 0.00030 -0.00039 0.00177 125 4ZZ 0.00000 0.00016 -0.00002 0.00004 0.00050 126 4XY -0.00027 0.00020 -0.00193 0.00072 -0.00111 127 4XZ -0.00009 -0.00045 -0.00018 0.00000 -0.00027 128 4YZ 0.00009 -0.00016 0.00204 -0.00055 0.00013 129 13 C 1S -0.09307 0.02438 -0.01227 -0.14468 -0.00018 130 2S 0.17389 -0.04485 0.02501 0.28274 0.00034 131 2PX -0.03937 0.00314 -0.00964 0.00892 -0.00002 132 2PY -0.00002 0.00000 0.00000 -0.00013 0.10428 133 2PZ 0.05383 -0.01906 -0.01862 -0.00820 0.00000 134 3S 0.11462 -0.04103 0.01526 0.26814 0.00033 135 3PX 0.00167 -0.00074 -0.00420 0.00446 0.00000 136 3PY 0.00000 0.00000 0.00000 -0.00002 0.01784 137 3PZ 0.00917 -0.00612 -0.00672 -0.00595 0.00000 138 4XX -0.00109 0.00081 0.00093 -0.00023 0.00000 139 4YY -0.00157 0.00043 -0.00042 -0.00446 -0.00001 140 4ZZ 0.00259 -0.00100 -0.00104 -0.00015 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00001 -0.00767 142 4XZ -0.00501 0.00147 0.00139 0.00226 0.00000 143 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00954 144 14 H 1S 0.04287 -0.01424 0.00322 0.09857 0.00012 145 2S -0.00120 -0.00049 0.00237 0.02374 0.00003 146 15 H 1S 0.03662 -0.00722 0.01701 0.10037 0.00012 147 2S 0.00428 0.00022 0.00761 0.02264 0.00003 148 16 C 1S -0.09520 0.02227 0.00309 -0.02977 0.12221 149 2S 0.17680 -0.04255 -0.00699 0.05916 -0.24006 150 2PX 0.00496 -0.01162 -0.00574 0.06351 0.00540 151 2PY 0.06918 -0.01824 -0.00578 0.03153 0.01541 152 2PZ 0.03151 -0.01606 -0.03780 -0.10098 -0.05010 153 3S 0.13382 -0.02761 0.00095 0.04582 -0.22507 154 3PX -0.00298 -0.00049 -0.00208 0.01248 0.00097 155 3PY 0.02128 -0.00217 0.00078 -0.00098 -0.00117 156 3PZ 0.00345 -0.00202 -0.00714 -0.01811 -0.00743 157 4XX -0.00835 0.00302 0.00189 -0.00017 0.00878 158 4YY 0.00516 -0.00153 0.00002 0.00630 0.00169 159 4ZZ -0.00093 -0.00021 -0.00183 -0.00674 0.00024 160 4XY 0.00144 -0.00108 -0.00013 0.00657 0.00092 161 4XZ -0.00405 0.00153 0.00157 -0.00139 0.00383 162 4YZ 0.00292 -0.00135 -0.00304 -0.00897 -0.00404 163 17 H 1S 0.03228 -0.00719 0.00285 0.02157 -0.08546 164 2S 0.00481 -0.00096 0.00153 0.00350 -0.02213 165 18 C 1S -0.09637 0.02923 0.04104 0.10141 0.07558 166 2S 0.18362 -0.05531 -0.07958 -0.20038 -0.15162 167 2PX 0.01587 -0.01049 -0.00333 0.02100 -0.01339 168 2PY 0.04707 -0.01553 -0.02457 -0.06290 0.08637 169 2PZ -0.06363 0.01445 0.00098 -0.02758 0.06498 170 3S 0.10608 -0.03836 -0.06063 -0.16197 -0.09841 171 3PX -0.00039 -0.00122 -0.00036 0.00782 0.00541 172 3PY 0.00193 -0.00146 -0.00386 -0.00445 0.02848 173 3PZ -0.00040 0.00236 0.00047 -0.01049 -0.00906 174 4XX -0.00908 0.00361 0.00364 0.00929 0.00516 175 4YY 0.00264 -0.00076 -0.00191 -0.00597 0.00869 176 4ZZ 0.00269 -0.00009 0.00147 0.00505 -0.00739 177 4XY 0.00112 -0.00059 -0.00062 -0.00092 0.00004 178 4XZ -0.00478 0.00205 0.00188 0.00090 0.00482 179 4YZ -0.00284 0.00083 0.00128 0.00292 -0.00340 180 19 H 1S 0.03088 -0.01003 -0.02169 -0.06656 -0.05088 181 2S -0.00185 -0.00036 -0.00540 -0.01426 -0.00535 182 20 C 1S -0.09520 0.02227 0.00309 -0.02947 -0.12228 183 2S 0.17680 -0.04255 -0.00700 0.05856 0.24020 184 2PX 0.00501 -0.01164 -0.00575 0.06355 -0.00524 185 2PY -0.06918 0.01823 0.00578 -0.03150 0.01532 186 2PZ 0.03150 -0.01606 -0.03780 -0.10111 0.04987 187 3S 0.13383 -0.02761 0.00094 0.04526 0.22517 188 3PX -0.00297 -0.00050 -0.00208 0.01248 -0.00093 189 3PY -0.02129 0.00217 -0.00078 0.00099 -0.00117 190 3PZ 0.00345 -0.00202 -0.00714 -0.01813 0.00739 191 4XX -0.00835 0.00302 0.00189 -0.00014 -0.00878 192 4YY 0.00516 -0.00153 0.00002 0.00629 -0.00167 193 4ZZ -0.00093 -0.00021 -0.00183 -0.00674 -0.00026 194 4XY -0.00145 0.00108 0.00013 -0.00658 0.00090 195 4XZ -0.00405 0.00153 0.00157 -0.00138 -0.00383 196 4YZ -0.00293 0.00135 0.00304 0.00898 -0.00402 197 21 H 1S 0.03229 -0.00720 0.00285 0.02136 0.08551 198 2S 0.00481 -0.00096 0.00153 0.00345 0.02214 199 22 C 1S -0.09637 0.02924 0.04104 0.10159 -0.07533 200 2S 0.18363 -0.05531 -0.07959 -0.20075 0.15112 201 2PX 0.01589 -0.01050 -0.00335 0.02093 0.01339 202 2PY -0.04705 0.01552 0.02457 0.06270 0.08655 203 2PZ -0.06364 0.01445 0.00099 -0.02741 -0.06504 204 3S 0.10607 -0.03836 -0.06064 -0.16221 0.09800 205 3PX -0.00039 -0.00122 -0.00036 0.00783 -0.00541 206 3PY -0.00192 0.00146 0.00386 0.00439 0.02849 207 3PZ -0.00040 0.00236 0.00048 -0.01051 0.00904 208 4XX -0.00908 0.00361 0.00364 0.00930 -0.00514 209 4YY 0.00264 -0.00076 -0.00191 -0.00595 -0.00871 210 4ZZ 0.00269 -0.00009 0.00147 0.00503 0.00740 211 4XY -0.00113 0.00060 0.00062 0.00093 0.00004 212 4XZ -0.00478 0.00205 0.00189 0.00092 -0.00482 213 4YZ 0.00284 -0.00082 -0.00128 -0.00291 -0.00342 214 23 H 1S 0.03089 -0.01003 -0.02170 -0.06668 0.05071 215 2S -0.00185 -0.00036 -0.00540 -0.01428 0.00531 21 22 23 24 25 O O O O O Eigenvalues -- -0.68577 -0.62325 -0.58489 -0.57992 -0.54925 1 1 C 1S -0.07119 0.08239 0.03995 -0.00004 -0.01510 2 2S 0.14246 -0.16774 -0.08176 -0.00084 0.03139 3 2PX 0.03308 0.00337 0.12367 -0.00426 -0.01246 4 2PY -0.09103 0.11759 -0.09546 0.00334 -0.02299 5 2PZ -0.03938 0.00127 -0.14089 0.00255 0.00977 6 3S 0.13817 -0.15879 -0.07637 0.00369 0.03252 7 3PX 0.00265 0.00276 0.03905 -0.00090 -0.00264 8 3PY -0.00928 0.05493 -0.01746 -0.00233 -0.01382 9 3PZ -0.00194 -0.00040 -0.04543 0.00171 0.00036 10 4XX -0.00003 0.00206 0.00408 -0.00039 -0.00077 11 4YY -0.00715 0.00523 -0.00495 0.00006 -0.00057 12 4ZZ 0.00192 0.00031 0.00529 -0.00004 -0.00028 13 4XY -0.00181 -0.00160 -0.00294 0.00023 0.00142 14 4XZ -0.00855 0.00639 -0.00213 0.00041 -0.00111 15 4YZ 0.00218 0.00116 0.00326 -0.00004 -0.00115 16 2 C 1S -0.08911 -0.00006 -0.08336 0.00491 0.01109 17 2S 0.18804 0.00076 0.18285 -0.01197 -0.02318 18 2PX 0.01140 0.14024 0.00388 -0.01389 -0.03023 19 2PY 0.14373 -0.00374 0.09932 -0.00192 -0.00978 20 2PZ 0.01970 -0.14876 0.01868 -0.00742 0.02647 21 3S 0.15404 -0.00400 0.14523 -0.00440 -0.02822 22 3PX 0.00424 0.01208 0.00531 0.00034 -0.00717 23 3PY 0.03082 -0.00316 0.03677 0.00821 -0.00463 24 3PZ 0.00449 -0.01632 0.00522 -0.00823 -0.00022 25 4XX 0.00101 0.00069 -0.00477 -0.00103 0.00105 26 4YY -0.01256 0.00016 -0.00760 0.00119 0.00069 27 4ZZ 0.00222 -0.00118 -0.00515 0.00074 0.00090 28 4XY -0.00130 0.00469 -0.00067 0.00074 -0.00079 29 4XZ -0.00978 0.00016 -0.00092 -0.00025 -0.00064 30 4YZ -0.00004 -0.00481 0.00007 -0.00054 0.00061 31 3 C 1S -0.06433 -0.08297 0.04039 -0.01131 0.00700 32 2S 0.12671 0.16612 -0.08186 0.02504 -0.01648 33 2PX -0.04949 -0.01521 -0.11607 -0.01032 0.02906 34 2PY -0.07443 -0.10941 -0.07713 0.03447 0.01088 35 2PZ 0.02880 -0.01490 0.12847 -0.03189 -0.01385 36 3S 0.12956 0.17666 -0.08621 0.00984 -0.00907 37 3PX -0.00303 -0.00487 -0.03902 0.00114 0.01683 38 3PY -0.00339 -0.04551 -0.01384 0.01266 0.00635 39 3PZ 0.00124 -0.00414 0.04075 -0.01727 -0.00038 40 4XX 0.00003 -0.00294 0.00722 -0.00159 0.00137 41 4YY -0.00761 -0.00644 -0.00483 0.00126 0.00037 42 4ZZ 0.00177 0.00098 0.00091 -0.00107 -0.00068 43 4XY 0.00375 0.00166 0.00182 -0.00006 -0.00261 44 4XZ -0.00753 -0.00502 -0.00349 -0.00153 0.00138 45 4YZ -0.00081 0.00319 -0.00352 0.00096 0.00114 46 4 C 1S 0.06433 0.08297 0.04039 -0.01130 -0.00699 47 2S -0.12670 -0.16612 -0.08185 0.02502 0.01647 48 2PX 0.04955 0.01529 -0.11611 -0.01029 -0.02908 49 2PY -0.07440 -0.10939 0.07705 -0.03449 0.01086 50 2PZ -0.02880 0.01490 0.12847 -0.03190 0.01386 51 3S -0.12956 -0.17666 -0.08622 0.00981 0.00906 52 3PX 0.00303 0.00490 -0.03902 0.00116 -0.01683 53 3PY -0.00339 -0.04550 0.01382 -0.01266 0.00634 54 3PZ -0.00123 0.00414 0.04074 -0.01728 0.00038 55 4XX -0.00003 0.00294 0.00722 -0.00159 -0.00136 56 4YY 0.00762 0.00644 -0.00484 0.00126 -0.00037 57 4ZZ -0.00177 -0.00098 0.00091 -0.00107 0.00068 58 4XY 0.00374 0.00165 -0.00181 0.00005 -0.00261 59 4XZ 0.00753 0.00502 -0.00350 -0.00153 -0.00138 60 4YZ -0.00080 0.00319 0.00352 -0.00096 0.00114 61 5 C 1S 0.08911 0.00006 -0.08336 0.00492 -0.01110 62 2S -0.18803 -0.00075 0.18285 -0.01198 0.02320 63 2PX -0.01150 -0.14024 0.00395 -0.01391 0.03023 64 2PY 0.14372 -0.00385 -0.09932 0.00192 -0.00977 65 2PZ -0.01970 0.14875 0.01869 -0.00740 -0.02647 66 3S -0.15404 0.00401 0.14523 -0.00440 0.02823 67 3PX -0.00426 -0.01208 0.00534 0.00035 0.00717 68 3PY 0.03082 -0.00318 -0.03678 -0.00821 -0.00463 69 3PZ -0.00450 0.01632 0.00522 -0.00823 0.00022 70 4XX -0.00101 -0.00070 -0.00477 -0.00103 -0.00105 71 4YY 0.01256 -0.00015 -0.00760 0.00119 -0.00070 72 4ZZ -0.00222 0.00118 -0.00515 0.00074 -0.00090 73 4XY -0.00131 0.00469 0.00067 -0.00074 -0.00079 74 4XZ 0.00978 -0.00016 -0.00092 -0.00026 0.00064 75 4YZ -0.00003 -0.00481 -0.00007 0.00054 0.00061 76 6 C 1S 0.07119 -0.08239 0.03995 -0.00004 0.01510 77 2S -0.14246 0.16773 -0.08176 -0.00082 -0.03140 78 2PX -0.03301 -0.00345 0.12361 -0.00426 0.01249 79 2PY -0.09105 0.11759 0.09555 -0.00333 -0.02298 80 2PZ 0.03937 -0.00127 -0.14088 0.00256 -0.00978 81 3S -0.13817 0.15878 -0.07638 0.00370 -0.03252 82 3PX -0.00265 -0.00280 0.03904 -0.00090 0.00265 83 3PY -0.00929 0.05493 0.01749 0.00233 -0.01382 84 3PZ 0.00193 0.00040 -0.04543 0.00171 -0.00037 85 4XX 0.00003 -0.00206 0.00408 -0.00039 0.00077 86 4YY 0.00714 -0.00523 -0.00494 0.00006 0.00057 87 4ZZ -0.00192 -0.00031 0.00529 -0.00004 0.00028 88 4XY -0.00181 -0.00160 0.00295 -0.00023 0.00142 89 4XZ 0.00855 -0.00639 -0.00213 0.00041 0.00112 90 4YZ 0.00219 0.00116 -0.00326 0.00004 -0.00115 91 7 H 1S 0.05316 -0.09316 -0.08259 0.00064 0.02652 92 2S 0.01233 -0.03294 -0.03917 0.00013 0.01339 93 8 H 1S 0.04406 0.09181 -0.08189 0.01199 0.00471 94 2S 0.00871 0.03386 -0.03960 0.00599 0.00786 95 9 H 1S -0.04406 -0.09181 -0.08188 0.01198 -0.00471 96 2S -0.00871 -0.03386 -0.03960 0.00598 -0.00786 97 10 H 1S -0.05316 0.09316 -0.08259 0.00065 -0.02653 98 2S -0.01233 0.03293 -0.03917 0.00013 -0.01340 99 11 O 1S 0.05773 -0.00121 0.03811 -0.00460 -0.00425 100 2S -0.12982 0.00292 -0.08740 0.00958 0.00915 101 2PX 0.00042 0.05063 0.00443 -0.00892 -0.01357 102 2PY 0.02695 -0.00267 0.05916 -0.00377 -0.00946 103 2PZ 0.00465 -0.05461 0.00891 -0.00350 0.01062 104 3S -0.16042 0.00284 -0.11106 0.01936 0.01534 105 3PX -0.00020 0.02682 0.00221 -0.00580 -0.00670 106 3PY 0.01677 -0.00132 0.03648 -0.00047 -0.00482 107 3PZ 0.00209 -0.02881 0.00517 -0.00039 0.00623 108 4XX 0.00079 0.00128 -0.00081 -0.00089 -0.00013 109 4YY 0.00655 -0.00036 0.00805 -0.00065 -0.00116 110 4ZZ 0.00106 -0.00091 -0.00071 -0.00026 0.00010 111 4XY 0.00060 0.00538 0.00097 -0.00087 -0.00133 112 4XZ -0.00107 -0.00028 -0.00028 -0.00008 -0.00010 113 4YZ 0.00095 -0.00579 0.00139 -0.00025 0.00105 114 12 O 1S -0.05773 0.00121 0.03811 -0.00460 0.00425 115 2S 0.12982 -0.00293 -0.08741 0.00958 -0.00916 116 2PX -0.00044 -0.05063 0.00447 -0.00892 0.01358 117 2PY 0.02695 -0.00271 -0.05916 0.00376 -0.00946 118 2PZ -0.00466 0.05461 0.00892 -0.00349 -0.01062 119 3S 0.16042 -0.00285 -0.11106 0.01936 -0.01535 120 3PX 0.00018 -0.02682 0.00224 -0.00580 0.00670 121 3PY 0.01677 -0.00134 -0.03648 0.00046 -0.00482 122 3PZ -0.00209 0.02881 0.00517 -0.00038 -0.00623 123 4XX -0.00079 -0.00129 -0.00081 -0.00089 0.00013 124 4YY -0.00655 0.00036 0.00805 -0.00064 0.00116 125 4ZZ -0.00106 0.00091 -0.00071 -0.00026 -0.00010 126 4XY 0.00060 0.00537 -0.00098 0.00087 -0.00133 127 4XZ 0.00107 0.00028 -0.00028 -0.00008 0.00010 128 4YZ 0.00095 -0.00579 -0.00139 0.00025 0.00105 129 13 C 1S 0.00000 0.00000 -0.02375 -0.08582 -0.00001 130 2S 0.00000 -0.00001 0.04919 0.17290 0.00001 131 2PX -0.00001 0.00000 0.04717 0.09894 0.00006 132 2PY 0.03997 0.00176 0.00002 0.00005 -0.16973 133 2PZ 0.00000 0.00000 0.02023 -0.09307 -0.00003 134 3S 0.00000 -0.00001 0.05534 0.19447 0.00001 135 3PX 0.00000 0.00000 0.02692 0.03590 0.00002 136 3PY 0.01000 -0.00207 0.00001 0.00002 -0.06253 137 3PZ 0.00000 0.00000 0.00798 -0.03349 -0.00001 138 4XX 0.00000 0.00000 0.00062 0.00267 0.00000 139 4YY 0.00000 0.00000 -0.00162 -0.01458 0.00000 140 4ZZ 0.00000 0.00000 0.00053 0.00465 0.00000 141 4XY -0.00243 0.00040 0.00000 0.00001 0.00706 142 4XZ 0.00000 0.00000 0.00046 0.00701 0.00000 143 4YZ 0.00410 0.00165 0.00000 0.00000 -0.00575 144 14 H 1S 0.00000 0.00000 0.04345 0.10589 0.00000 145 2S 0.00000 0.00000 0.01573 0.04888 0.00000 146 15 H 1S 0.00000 0.00000 0.00397 0.11501 0.00001 147 2S 0.00000 0.00000 -0.00646 0.05565 0.00001 148 16 C 1S 0.04342 0.00952 0.00432 0.09085 -0.05960 149 2S -0.08718 -0.02260 -0.00774 -0.18578 0.12369 150 2PX -0.01226 -0.00983 0.02217 0.03118 0.07543 151 2PY 0.00533 -0.00387 0.01322 0.10128 -0.04927 152 2PZ -0.02960 -0.03812 0.00821 -0.04046 -0.15157 153 3S -0.08223 -0.01265 -0.01121 -0.19242 0.12228 154 3PX -0.00340 -0.00979 0.00819 0.01144 0.02511 155 3PY 0.00143 0.00333 0.00085 0.03735 -0.02566 156 3PZ -0.00837 -0.01065 0.00378 -0.00246 -0.05179 157 4XX 0.00464 0.00187 0.00155 0.00878 -0.00287 158 4YY 0.00010 0.00005 0.00054 -0.00386 0.00794 159 4ZZ -0.00062 -0.00187 -0.00093 0.00729 -0.01140 160 4XY 0.00050 0.00019 0.00253 0.00588 0.00019 161 4XZ 0.00209 0.00195 -0.00161 -0.00122 0.00032 162 4YZ -0.00158 -0.00060 -0.00003 -0.00542 -0.00006 163 17 H 1S -0.03143 -0.00203 -0.00917 -0.11855 0.10280 164 2S -0.00981 0.00381 -0.00742 -0.05260 0.05138 165 18 C 1S 0.03121 0.02463 0.00328 -0.04303 0.09111 166 2S -0.06329 -0.05031 -0.00737 0.08805 -0.18734 167 2PX -0.01075 -0.00332 0.00558 -0.03410 0.03274 168 2PY 0.03677 0.03047 0.00207 0.12159 0.11980 169 2PZ 0.02289 0.00423 -0.00385 0.14819 -0.06188 170 3S -0.04283 -0.04634 -0.00446 0.08627 -0.17966 171 3PX 0.00087 0.00166 0.00238 -0.00963 0.01774 172 3PY 0.01224 0.00963 0.00116 0.02841 0.04762 173 3PZ -0.00548 -0.00142 -0.00288 0.04569 -0.03779 174 4XX 0.00248 0.00134 0.00100 -0.00269 0.00580 175 4YY 0.00349 0.00237 -0.00040 0.00505 0.00772 176 4ZZ -0.00264 -0.00129 -0.00032 -0.00746 -0.00194 177 4XY 0.00049 -0.00026 0.00030 0.00198 -0.00474 178 4XZ 0.00255 0.00173 -0.00033 -0.00050 0.00345 179 4YZ -0.00086 0.00075 -0.00020 -0.00534 0.01007 180 19 H 1S -0.02266 -0.02648 -0.00528 0.06186 -0.14772 181 2S -0.00295 -0.01099 -0.00231 0.02854 -0.07146 182 20 C 1S -0.04342 -0.00953 0.00432 0.09084 0.05961 183 2S 0.08718 0.02261 -0.00774 -0.18576 -0.12370 184 2PX 0.01226 0.00983 0.02218 0.03123 -0.07541 185 2PY 0.00533 -0.00386 -0.01320 -0.10124 -0.04934 186 2PZ 0.02960 0.03812 0.00819 -0.04050 0.15154 187 3S 0.08224 0.01266 -0.01121 -0.19240 -0.12230 188 3PX 0.00340 0.00979 0.00819 0.01146 -0.02510 189 3PY 0.00144 0.00334 -0.00085 -0.03733 -0.02568 190 3PZ 0.00837 0.01065 0.00378 -0.00248 0.05178 191 4XX -0.00464 -0.00188 0.00155 0.00878 0.00287 192 4YY -0.00010 -0.00004 0.00053 -0.00387 -0.00794 193 4ZZ 0.00062 0.00187 -0.00093 0.00729 0.01140 194 4XY 0.00049 0.00019 -0.00253 -0.00587 0.00019 195 4XZ -0.00209 -0.00194 -0.00161 -0.00123 -0.00032 196 4YZ -0.00158 -0.00060 0.00003 0.00541 -0.00006 197 21 H 1S 0.03144 0.00204 -0.00916 -0.11853 -0.10280 198 2S 0.00981 -0.00380 -0.00742 -0.05260 -0.05139 199 22 C 1S -0.03121 -0.02463 0.00329 -0.04302 -0.09112 200 2S 0.06327 0.05030 -0.00739 0.08803 0.18735 201 2PX 0.01072 0.00330 0.00558 -0.03402 -0.03283 202 2PY 0.03678 0.03048 -0.00207 -0.12165 0.11976 203 2PZ -0.02289 -0.00423 -0.00385 0.14817 0.06194 204 3S 0.04282 0.04633 -0.00448 0.08627 0.17967 205 3PX -0.00088 -0.00166 0.00238 -0.00960 -0.01777 206 3PY 0.01223 0.00963 -0.00116 -0.02844 0.04760 207 3PZ 0.00548 0.00142 -0.00288 0.04568 0.03780 208 4XX -0.00248 -0.00134 0.00100 -0.00268 -0.00579 209 4YY -0.00349 -0.00237 -0.00040 0.00505 -0.00772 210 4ZZ 0.00264 0.00129 -0.00032 -0.00746 0.00194 211 4XY 0.00049 -0.00025 -0.00030 -0.00199 -0.00474 212 4XZ -0.00254 -0.00173 -0.00033 -0.00050 -0.00345 213 4YZ -0.00086 0.00075 0.00020 0.00534 0.01007 214 23 H 1S 0.02265 0.02648 -0.00529 0.06185 0.14774 215 2S 0.00295 0.01099 -0.00231 0.02854 0.07147 26 27 28 29 30 O O O O O Eigenvalues -- -0.53779 -0.49216 -0.48232 -0.46760 -0.46721 1 1 C 1S 0.00058 0.00942 -0.00307 0.00236 -0.04319 2 2S -0.00176 -0.01930 0.00385 -0.00433 0.08602 3 2PX 0.00431 0.02623 0.10381 -0.03206 -0.10274 4 2PY -0.00467 -0.27547 0.12723 -0.08305 -0.06085 5 2PZ 0.00381 -0.03246 -0.10155 -0.03161 0.11669 6 3S -0.00136 0.01327 0.01219 -0.00373 0.15471 7 3PX 0.00182 0.01078 0.04719 -0.01607 -0.01147 8 3PY -0.00023 -0.09080 0.03083 -0.02457 -0.01369 9 3PZ 0.00357 -0.01229 -0.04584 -0.01855 0.01926 10 4XX 0.00038 0.00388 -0.00285 -0.00128 -0.00051 11 4YY -0.00029 -0.00246 0.00085 -0.00099 -0.00279 12 4ZZ -0.00005 0.00452 -0.00431 0.00368 -0.00081 13 4XY -0.00017 -0.00154 0.00064 -0.00022 0.01095 14 4XZ 0.00018 -0.00399 0.00324 -0.00132 -0.00326 15 4YZ 0.00014 0.00229 -0.00022 -0.00065 -0.01239 16 2 C 1S -0.00730 -0.01534 0.04348 0.01025 0.07102 17 2S 0.01465 0.03703 -0.10295 -0.02343 -0.15778 18 2PX 0.01677 -0.14515 -0.04512 -0.11104 0.00414 19 2PY -0.00316 -0.02777 0.09092 0.02421 0.00503 20 2PZ -0.00343 0.17741 0.07922 0.00452 -0.00531 21 3S 0.02391 0.03851 -0.10467 -0.02949 -0.18749 22 3PX 0.00657 -0.02671 -0.00459 -0.04650 -0.00655 23 3PY -0.00163 -0.01566 0.02368 0.00462 -0.06744 24 3PZ 0.00138 0.04169 0.01408 -0.00211 -0.01396 25 4XX 0.00011 0.00115 0.00042 -0.00048 0.00835 26 4YY -0.00233 -0.00513 0.01182 0.00075 0.00115 27 4ZZ 0.00030 0.00063 -0.00155 0.00214 0.01031 28 4XY -0.00131 0.00211 0.00064 0.00223 -0.00049 29 4XZ -0.00048 -0.00190 0.00477 -0.00087 -0.00401 30 4YZ 0.00026 -0.00261 0.00116 -0.00304 -0.00074 31 3 C 1S 0.00500 -0.00077 -0.00305 -0.02190 -0.04448 32 2S -0.01115 0.00164 0.00393 0.04816 0.08764 33 2PX 0.00065 0.10356 0.02179 -0.05372 0.08345 34 2PY -0.05707 0.11810 0.21395 0.12944 -0.05816 35 2PZ -0.01275 -0.04409 0.06620 -0.09352 -0.12584 36 3S -0.00802 -0.01422 -0.00684 0.05146 0.16130 37 3PX 0.00473 0.04614 0.00551 -0.03708 0.01995 38 3PY -0.01790 0.04977 0.07591 0.03500 -0.00435 39 3PZ -0.00558 -0.01687 0.03685 -0.04297 -0.02461 40 4XX 0.00094 -0.00084 -0.00196 -0.00466 -0.00469 41 4YY -0.00082 0.00077 0.00184 0.00360 -0.00362 42 4ZZ 0.00141 0.00074 -0.00555 -0.00342 0.00376 43 4XY -0.00103 -0.00073 -0.00276 -0.00416 -0.00759 44 4XZ -0.00140 0.00219 0.00290 -0.00130 -0.00123 45 4YZ -0.00096 0.00096 0.00130 0.00035 0.01263 46 4 C 1S 0.00500 -0.00077 -0.00306 -0.02148 0.04468 47 2S -0.01115 0.00164 0.00394 0.04733 -0.08809 48 2PX 0.00061 0.10363 0.02192 -0.05442 -0.08290 49 2PY 0.05707 -0.11804 -0.21395 -0.12999 -0.05703 50 2PZ -0.01274 -0.04409 0.06617 -0.09237 0.12667 51 3S -0.00802 -0.01423 -0.00684 0.04994 -0.16178 52 3PX 0.00472 0.04618 0.00556 -0.03725 -0.01960 53 3PY 0.01791 -0.04974 -0.07590 -0.03504 -0.00404 54 3PZ -0.00558 -0.01688 0.03684 -0.04275 0.02500 55 4XX 0.00093 -0.00084 -0.00196 -0.00462 0.00474 56 4YY -0.00082 0.00077 0.00184 0.00363 0.00358 57 4ZZ 0.00141 0.00074 -0.00555 -0.00346 -0.00373 58 4XY 0.00103 0.00073 0.00276 0.00408 -0.00763 59 4XZ -0.00140 0.00219 0.00290 -0.00129 0.00123 60 4YZ 0.00096 -0.00096 -0.00130 -0.00023 0.01264 61 5 C 1S -0.00730 -0.01534 0.04349 0.00959 -0.07111 62 2S 0.01465 0.03703 -0.10296 -0.02196 0.15798 63 2PX 0.01677 -0.14518 -0.04508 -0.11105 -0.00314 64 2PY 0.00317 0.02767 -0.09096 -0.02424 0.00525 65 2PZ -0.00343 0.17740 0.07921 0.00455 0.00528 66 3S 0.02392 0.03852 -0.10467 -0.02775 0.18774 67 3PX 0.00657 -0.02673 -0.00458 -0.04645 0.00702 68 3PY 0.00162 0.01564 -0.02369 -0.00529 -0.06740 69 3PZ 0.00138 0.04170 0.01408 -0.00198 0.01397 70 4XX 0.00011 0.00115 0.00042 -0.00055 -0.00835 71 4YY -0.00233 -0.00513 0.01182 0.00074 -0.00115 72 4ZZ 0.00030 0.00064 -0.00155 0.00204 -0.01033 73 4XY 0.00131 -0.00210 -0.00065 -0.00223 -0.00048 74 4XZ -0.00048 -0.00190 0.00477 -0.00083 0.00402 75 4YZ -0.00026 0.00261 -0.00115 0.00303 -0.00077 76 6 C 1S 0.00058 0.00942 -0.00307 0.00276 0.04316 77 2S -0.00176 -0.01930 0.00385 -0.00513 -0.08597 78 2PX 0.00431 0.02604 0.10389 -0.03116 0.10310 79 2PY 0.00468 0.27548 -0.12715 0.08246 -0.06158 80 2PZ 0.00381 -0.03245 -0.10156 -0.03268 -0.11643 81 3S -0.00137 0.01326 0.01219 -0.00517 -0.15466 82 3PX 0.00181 0.01072 0.04720 -0.01599 0.01164 83 3PY 0.00023 0.09081 -0.03080 0.02442 -0.01392 84 3PZ 0.00357 -0.01229 -0.04584 -0.01872 -0.01910 85 4XX 0.00038 0.00388 -0.00284 -0.00128 0.00051 86 4YY -0.00029 -0.00246 0.00085 -0.00097 0.00282 87 4ZZ -0.00005 0.00452 -0.00431 0.00369 0.00077 88 4XY 0.00017 0.00155 -0.00064 0.00032 0.01095 89 4XZ 0.00018 -0.00399 0.00324 -0.00129 0.00328 90 4YZ -0.00014 -0.00229 0.00022 0.00053 -0.01239 91 7 H 1S 0.00051 0.05252 -0.10263 0.02311 0.14426 92 2S -0.00026 0.03726 -0.06273 0.02156 0.11206 93 8 H 1S 0.01864 0.00868 -0.07992 0.01328 0.13978 94 2S 0.01464 0.00318 -0.04451 -0.00215 0.10575 95 9 H 1S 0.01864 0.00868 -0.07991 0.01199 -0.13989 96 2S 0.01464 0.00317 -0.04450 -0.00313 -0.10571 97 10 H 1S 0.00051 0.05252 -0.10262 0.02177 -0.14450 98 2S -0.00026 0.03726 -0.06273 0.02053 -0.11227 99 11 O 1S 0.00817 0.02105 -0.05647 -0.00820 -0.03705 100 2S -0.01797 -0.04379 0.11856 0.01727 0.08261 101 2PX 0.01525 -0.07659 -0.05358 -0.08364 -0.02083 102 2PY 0.01252 0.06273 -0.18105 -0.02248 -0.16069 103 2PZ -0.00083 0.11425 0.02351 0.00302 -0.01697 104 3S -0.03084 -0.09107 0.23560 0.03366 0.12108 105 3PX 0.00899 -0.04738 -0.02849 -0.04734 -0.01164 106 3PY 0.00442 0.02845 -0.08581 -0.01093 -0.09208 107 3PZ -0.00059 0.06599 0.01635 0.00296 -0.00839 108 4XX 0.00077 -0.00061 -0.00277 -0.00176 0.00145 109 4YY 0.00123 0.00618 -0.01653 -0.00136 -0.01298 110 4ZZ 0.00019 0.00260 -0.00175 0.00005 0.00176 111 4XY 0.00123 -0.00630 -0.00513 -0.00663 -0.00218 112 4XZ -0.00002 -0.00004 0.00177 -0.00055 -0.00059 113 4YZ -0.00001 0.00984 0.00174 -0.00010 -0.00165 114 12 O 1S 0.00817 0.02105 -0.05648 -0.00786 0.03712 115 2S -0.01797 -0.04379 0.11857 0.01650 -0.08276 116 2PX 0.01526 -0.07656 -0.05373 -0.08346 0.02171 117 2PY -0.01252 -0.06279 0.18103 0.02093 -0.16088 118 2PZ -0.00084 0.11425 0.02349 0.00317 0.01694 119 3S -0.03083 -0.09106 0.23561 0.03253 -0.12137 120 3PX 0.00900 -0.04737 -0.02857 -0.04724 0.01214 121 3PY -0.00442 -0.02849 0.08580 0.01004 -0.09217 122 3PZ -0.00060 0.06599 0.01635 0.00303 0.00836 123 4XX 0.00077 -0.00062 -0.00278 -0.00178 -0.00143 124 4YY 0.00123 0.00619 -0.01652 -0.00123 0.01299 125 4ZZ 0.00019 0.00260 -0.00175 0.00004 -0.00176 126 4XY -0.00123 0.00630 0.00514 0.00661 -0.00225 127 4XZ -0.00002 -0.00004 0.00177 -0.00054 0.00059 128 4YZ 0.00001 -0.00984 -0.00174 0.00008 -0.00165 129 13 C 1S -0.01047 0.00603 -0.00019 0.00736 -0.00003 130 2S 0.02191 -0.01015 -0.00109 -0.02083 0.00010 131 2PX 0.09240 -0.10260 -0.03646 0.23800 -0.00111 132 2PY 0.00006 -0.00003 -0.00001 0.00016 0.02305 133 2PZ -0.15105 -0.06870 -0.04610 0.18499 -0.00086 134 3S 0.03212 -0.03478 0.00436 -0.00003 0.00000 135 3PX 0.02989 -0.04978 -0.02294 0.09067 -0.00042 136 3PY 0.00002 -0.00001 -0.00001 0.00005 0.00811 137 3PZ -0.05998 -0.04161 -0.03197 0.09986 -0.00046 138 4XX -0.00022 -0.00313 -0.00120 0.00886 -0.00004 139 4YY 0.00430 0.00064 0.00078 0.00022 0.00000 140 4ZZ -0.00021 0.00169 -0.00023 -0.00692 0.00003 141 4XY 0.00000 0.00000 0.00000 0.00001 0.00026 142 4XZ 0.00873 -0.00189 -0.00020 0.00650 -0.00003 143 4YZ 0.00000 0.00000 0.00000 0.00001 0.00258 144 14 H 1S 0.03812 -0.07098 -0.02667 0.15790 -0.00073 145 2S 0.02954 -0.04188 -0.01360 0.12000 -0.00056 146 15 H 1S 0.08420 0.03873 0.02426 -0.12232 0.00057 147 2S 0.04931 0.02725 0.00636 -0.07539 0.00035 148 16 C 1S -0.01608 -0.00339 -0.00582 -0.00217 0.01303 149 2S 0.03367 0.00557 0.01215 0.00778 -0.02734 150 2PX 0.01325 -0.03538 -0.01467 0.10156 -0.02285 151 2PY -0.21295 0.00712 -0.02202 -0.05604 0.00326 152 2PZ -0.05369 -0.03417 -0.01956 0.09588 -0.01063 153 3S 0.04699 0.01859 0.01729 -0.01478 -0.04552 154 3PX 0.01054 -0.01074 -0.00533 0.05406 -0.01076 155 3PY -0.08245 0.01197 -0.00149 -0.03493 0.00056 156 3PZ -0.01961 -0.01544 -0.00049 0.03994 -0.01783 157 4XX 0.00119 -0.00170 -0.00068 0.00124 0.00077 158 4YY -0.00084 0.00060 0.00044 -0.00162 -0.00111 159 4ZZ 0.00197 0.00085 -0.00026 -0.00105 0.00203 160 4XY -0.00160 -0.00297 -0.00279 0.00489 0.00014 161 4XZ -0.00199 0.00001 -0.00116 0.00158 0.00175 162 4YZ -0.00333 -0.00265 -0.00238 0.00476 -0.00078 163 17 H 1S 0.12334 0.00069 0.01681 0.02672 -0.01481 164 2S 0.06603 -0.00215 0.01470 0.01104 -0.00393 165 18 C 1S -0.01559 0.00045 0.00255 -0.00145 -0.00932 166 2S 0.03082 -0.00125 -0.00562 0.00349 0.01770 167 2PX -0.05965 -0.03088 -0.02952 0.09283 -0.01562 168 2PY -0.13800 -0.00143 -0.03491 -0.06212 -0.01420 169 2PZ 0.16994 0.01000 0.02027 -0.00096 0.03359 170 3S 0.05631 0.00023 -0.00635 0.00589 0.03735 171 3PX -0.01906 -0.01534 -0.01469 0.04629 -0.00055 172 3PY -0.04273 -0.00310 -0.01119 -0.01860 -0.00674 173 3PZ 0.05204 0.00270 0.00847 0.00153 -0.00092 174 4XX 0.00021 -0.00085 0.00034 0.00210 -0.00102 175 4YY 0.00224 0.00007 -0.00043 -0.00061 -0.00017 176 4ZZ 0.00039 0.00110 0.00136 -0.00104 0.00043 177 4XY -0.00037 -0.00064 -0.00107 0.00243 0.00137 178 4XZ -0.00139 0.00152 0.00091 -0.00523 -0.00037 179 4YZ 0.00394 -0.00043 0.00002 0.00212 -0.00310 180 19 H 1S 0.12698 0.00947 0.02169 0.00568 0.03301 181 2S 0.07750 0.00737 0.01472 0.00476 0.02781 182 20 C 1S -0.01608 -0.00339 -0.00582 -0.00227 -0.01301 183 2S 0.03369 0.00557 0.01215 0.00800 0.02726 184 2PX 0.01315 -0.03537 -0.01468 0.10175 0.02192 185 2PY 0.21296 -0.00714 0.02200 0.05615 0.00275 186 2PZ -0.05365 -0.03416 -0.01955 0.09597 0.00974 187 3S 0.04701 0.01860 0.01730 -0.01439 0.04565 188 3PX 0.01050 -0.01073 -0.00533 0.05414 0.01026 189 3PY 0.08246 -0.01199 0.00148 0.03496 0.00023 190 3PZ -0.01959 -0.01544 -0.00049 0.04012 0.01746 191 4XX 0.00119 -0.00170 -0.00069 0.00124 -0.00078 192 4YY -0.00084 0.00061 0.00044 -0.00162 0.00113 193 4ZZ 0.00197 0.00085 -0.00026 -0.00107 -0.00202 194 4XY 0.00161 0.00297 0.00279 -0.00488 0.00018 195 4XZ -0.00199 0.00001 -0.00116 0.00157 -0.00176 196 4YZ 0.00333 0.00265 0.00238 -0.00476 -0.00074 197 21 H 1S 0.12335 0.00068 0.01681 0.02688 0.01456 198 2S 0.06604 -0.00215 0.01470 0.01110 0.00383 199 22 C 1S -0.01558 0.00045 0.00255 -0.00137 0.00934 200 2S 0.03080 -0.00125 -0.00562 0.00333 -0.01773 201 2PX -0.05972 -0.03088 -0.02954 0.09292 0.01477 202 2PY 0.13792 0.00141 0.03489 0.06205 -0.01478 203 2PZ 0.16996 0.00999 0.02027 -0.00123 -0.03359 204 3S 0.05627 0.00022 -0.00635 0.00553 -0.03741 205 3PX -0.01909 -0.01534 -0.01470 0.04628 0.00013 206 3PY 0.04271 0.00309 0.01118 0.01858 -0.00692 207 3PZ 0.05205 0.00271 0.00847 0.00155 0.00091 208 4XX 0.00021 -0.00085 0.00034 0.00211 0.00100 209 4YY 0.00225 0.00007 -0.00043 -0.00061 0.00018 210 4ZZ 0.00039 0.00110 0.00136 -0.00104 -0.00042 211 4XY 0.00037 0.00064 0.00107 -0.00242 0.00139 212 4XZ -0.00139 0.00152 0.00091 -0.00522 0.00042 213 4YZ -0.00394 0.00043 -0.00002 -0.00215 -0.00308 214 23 H 1S 0.12697 0.00946 0.02169 0.00540 -0.03307 215 2S 0.07749 0.00736 0.01472 0.00452 -0.02786 31 32 33 34 35 O O O O O Eigenvalues -- -0.44677 -0.41700 -0.40750 -0.40697 -0.40006 1 1 C 1S 0.01320 0.00504 -0.00226 -0.00905 0.00166 2 2S -0.03042 -0.00955 0.00439 0.02021 -0.00629 3 2PX -0.08353 -0.07317 -0.03926 0.15420 0.02473 4 2PY -0.12394 -0.00885 -0.00600 0.04583 -0.13157 5 2PZ 0.18160 0.06796 0.02964 0.02601 0.00739 6 3S -0.05607 -0.07908 0.00426 0.04233 0.01110 7 3PX -0.02325 -0.05301 -0.02001 0.07759 0.02666 8 3PY -0.01337 -0.04669 -0.00628 -0.00010 -0.03335 9 3PZ 0.07489 0.04860 0.00872 0.02205 -0.01157 10 4XX 0.00711 -0.00228 -0.00090 0.00202 0.00361 11 4YY -0.00326 0.00516 0.00093 0.00264 -0.00403 12 4ZZ 0.00193 -0.00082 0.00060 -0.00728 0.00242 13 4XY 0.00256 0.00441 0.00328 0.00046 0.00141 14 4XZ -0.00526 0.00226 -0.00017 0.00180 -0.00440 15 4YZ -0.00161 -0.00322 -0.00206 0.00299 -0.00127 16 2 C 1S 0.00507 -0.00550 0.00359 0.00286 0.00757 17 2S -0.01141 0.01414 -0.00636 -0.00543 -0.01786 18 2PX 0.13937 -0.05784 -0.02319 0.09695 0.03637 19 2PY 0.00895 -0.25214 -0.05077 -0.04544 0.13690 20 2PZ -0.00564 -0.03636 -0.04377 0.17497 0.04408 21 3S -0.01391 0.00214 -0.02867 -0.01018 -0.01442 22 3PX 0.02279 -0.00886 -0.01100 0.07743 0.00918 23 3PY -0.01551 0.01116 -0.00793 -0.02395 -0.01807 24 3PZ 0.04179 -0.01017 -0.01897 0.07292 0.01603 25 4XX 0.00138 -0.00570 -0.00053 -0.00283 0.00530 26 4YY 0.00072 0.00023 -0.00091 0.00188 -0.00687 27 4ZZ -0.00052 -0.00497 -0.00039 0.00207 0.00743 28 4XY 0.00632 0.00128 0.00197 -0.00690 -0.00232 29 4XZ 0.00021 0.00116 0.00007 -0.00113 -0.00442 30 4YZ -0.00742 0.00083 0.00119 -0.00076 -0.00179 31 3 C 1S -0.01832 0.00503 -0.00583 -0.00391 0.00211 32 2S 0.03789 -0.00822 0.00709 0.00571 -0.00733 33 2PX -0.06698 0.06521 0.00987 0.12052 -0.02009 34 2PY 0.11799 -0.01069 -0.00654 -0.06470 -0.11723 35 2PZ 0.20368 -0.10312 -0.02541 -0.05498 -0.01356 36 3S 0.08495 -0.08069 0.04276 0.00221 0.00657 37 3PX -0.03041 0.04277 -0.00317 0.06063 -0.02318 38 3PY 0.01788 -0.04197 0.01121 -0.01507 -0.03407 39 3PZ 0.09101 -0.07075 -0.00253 -0.01679 0.01111 40 4XX -0.00369 -0.00211 -0.00081 -0.00780 0.00020 41 4YY 0.00367 0.00475 -0.00041 -0.00054 -0.00431 42 4ZZ -0.00674 -0.00003 -0.00026 0.00938 0.00493 43 4XY 0.00185 -0.00249 0.00103 -0.00025 -0.00286 44 4XZ 0.00282 0.00230 0.00113 -0.00193 -0.00452 45 4YZ -0.00217 0.00636 0.00252 0.00076 0.00061 46 4 C 1S -0.01832 -0.00503 0.00584 -0.00390 0.00211 47 2S 0.03788 0.00821 -0.00710 0.00570 -0.00733 48 2PX -0.06692 -0.06518 -0.01000 0.12047 -0.02015 49 2PY -0.11806 -0.01069 -0.00663 0.06477 0.11722 50 2PZ 0.20368 0.10310 0.02551 -0.05494 -0.01354 51 3S 0.08493 0.08069 -0.04276 0.00215 0.00655 52 3PX -0.03041 -0.04274 0.00310 0.06062 -0.02318 53 3PY -0.01792 -0.04198 0.01119 0.01514 0.03407 54 3PZ 0.09101 0.07073 0.00256 -0.01677 0.01110 55 4XX -0.00369 0.00211 0.00082 -0.00780 0.00020 56 4YY 0.00367 -0.00475 0.00041 -0.00054 -0.00431 57 4ZZ -0.00674 0.00003 0.00025 0.00938 0.00493 58 4XY -0.00185 -0.00248 0.00102 0.00024 0.00286 59 4XZ 0.00282 -0.00231 -0.00113 -0.00193 -0.00452 60 4YZ 0.00217 0.00635 0.00252 -0.00076 -0.00061 61 5 C 1S 0.00506 0.00550 -0.00360 0.00286 0.00757 62 2S -0.01139 -0.01414 0.00637 -0.00542 -0.01785 63 2PX 0.13938 0.05805 0.02314 0.09695 0.03651 64 2PY -0.00885 -0.25211 -0.05081 0.04552 -0.13685 65 2PZ -0.00563 0.03641 0.04356 0.17502 0.04411 66 3S -0.01389 -0.00214 0.02869 -0.01017 -0.01440 67 3PX 0.02278 0.00887 0.01093 0.07742 0.00919 68 3PY 0.01552 0.01117 -0.00795 0.02400 0.01807 69 3PZ 0.04179 0.01019 0.01889 0.07296 0.01605 70 4XX 0.00138 0.00570 0.00053 -0.00284 0.00530 71 4YY 0.00071 -0.00023 0.00091 0.00189 -0.00686 72 4ZZ -0.00052 0.00497 0.00039 0.00207 0.00743 73 4XY -0.00632 0.00128 0.00196 0.00690 0.00234 74 4XZ 0.00020 -0.00116 -0.00006 -0.00113 -0.00443 75 4YZ 0.00742 0.00083 0.00119 0.00076 0.00179 76 6 C 1S 0.01320 -0.00504 0.00227 -0.00904 0.00166 77 2S -0.03043 0.00955 -0.00442 0.02020 -0.00629 78 2PX -0.08360 0.07322 0.03908 0.15425 0.02465 79 2PY 0.12387 -0.00879 -0.00593 -0.04573 0.13158 80 2PZ 0.18158 -0.06796 -0.02965 0.02601 0.00741 81 3S -0.05609 0.07909 -0.00432 0.04232 0.01107 82 3PX -0.02325 0.05307 0.01993 0.07760 0.02663 83 3PY 0.01335 -0.04665 -0.00627 0.00014 0.03338 84 3PZ 0.07488 -0.04860 -0.00874 0.02206 -0.01155 85 4XX 0.00712 0.00228 0.00089 0.00202 0.00361 86 4YY -0.00326 -0.00515 -0.00093 0.00264 -0.00403 87 4ZZ 0.00193 0.00082 -0.00059 -0.00728 0.00242 88 4XY -0.00255 0.00442 0.00328 -0.00046 -0.00140 89 4XZ -0.00526 -0.00225 0.00017 0.00180 -0.00440 90 4YZ 0.00160 -0.00322 -0.00206 -0.00299 0.00126 91 7 H 1S 0.12246 0.04989 0.03209 -0.05231 0.04072 92 2S 0.10647 0.02005 0.02282 -0.04971 0.05177 93 8 H 1S -0.12804 0.06467 0.01885 0.07649 0.04414 94 2S -0.10477 0.03590 0.01319 0.05920 0.05659 95 9 H 1S -0.12806 -0.06463 -0.01895 0.07646 0.04414 96 2S -0.10478 -0.03587 -0.01327 0.05919 0.05658 97 10 H 1S 0.12244 -0.04989 -0.03203 -0.05233 0.04072 98 2S 0.10645 -0.02006 -0.02276 -0.04972 0.05177 99 11 O 1S -0.00816 0.05255 0.00804 0.00213 -0.02512 100 2S 0.01805 -0.11242 -0.01588 -0.00410 0.05109 101 2PX 0.06411 0.02215 -0.02044 0.12596 -0.00472 102 2PY -0.05180 0.32232 0.06584 -0.01731 -0.20529 103 2PZ 0.02937 0.01435 -0.03118 0.15046 0.01232 104 3S 0.02765 -0.20116 -0.03508 -0.01111 0.09881 105 3PX 0.03845 0.01145 -0.01515 0.07365 -0.00176 106 3PY -0.02910 0.17985 0.03827 -0.01169 -0.11673 107 3PZ 0.01413 0.00778 -0.02016 0.09013 0.00767 108 4XX 0.00176 -0.00144 -0.00073 0.00187 0.00105 109 4YY -0.00451 0.02105 0.00524 -0.00293 -0.01296 110 4ZZ 0.00048 -0.00130 -0.00029 0.00211 0.00111 111 4XY 0.00592 0.00214 -0.00104 0.00801 -0.00071 112 4XZ 0.00088 -0.00082 -0.00083 0.00232 -0.00024 113 4YZ 0.00081 0.00151 -0.00214 0.01102 0.00073 114 12 O 1S -0.00816 -0.05256 -0.00805 0.00213 -0.02512 115 2S 0.01804 0.11243 0.01588 -0.00411 0.05108 116 2PX 0.06408 -0.02236 0.02026 0.12601 -0.00483 117 2PY 0.05183 0.32234 0.06583 0.01740 0.20527 118 2PZ 0.02937 -0.01433 0.03101 0.15051 0.01236 119 3S 0.02764 0.20117 0.03509 -0.01112 0.09880 120 3PX 0.03843 -0.01157 0.01504 0.07368 -0.00182 121 3PY 0.02911 0.17986 0.03827 0.01175 0.11671 122 3PZ 0.01414 -0.00777 0.02006 0.09017 0.00770 123 4XX 0.00177 0.00143 0.00073 0.00188 0.00105 124 4YY -0.00452 -0.02105 -0.00524 -0.00294 -0.01296 125 4ZZ 0.00048 0.00130 0.00029 0.00211 0.00111 126 4XY -0.00592 0.00216 -0.00103 -0.00801 0.00072 127 4XZ 0.00088 0.00082 0.00083 0.00233 -0.00024 128 4YZ -0.00081 0.00151 -0.00212 -0.01102 -0.00073 129 13 C 1S -0.01021 0.00000 0.00000 0.00133 0.01886 130 2S 0.02007 0.00000 0.00001 -0.00711 -0.03950 131 2PX 0.07070 0.00004 -0.00015 0.16015 0.11381 132 2PY 0.00002 -0.00536 -0.08166 -0.00001 0.00010 133 2PZ 0.01952 0.00001 -0.00003 0.09144 -0.12723 134 3S 0.03925 0.00001 -0.00001 0.02856 -0.09146 135 3PX 0.03510 0.00002 -0.00007 0.06636 0.07118 136 3PY 0.00001 -0.00567 -0.01191 0.00001 0.00006 137 3PZ -0.00348 0.00001 -0.00003 0.06870 -0.04790 138 4XX 0.00515 0.00000 -0.00001 0.01203 0.00034 139 4YY -0.00231 0.00000 0.00001 -0.00532 -0.00114 140 4ZZ -0.00289 0.00000 0.00000 -0.00470 0.00615 141 4XY 0.00000 -0.00042 0.00480 0.00001 0.00000 142 4XZ 0.00179 0.00000 0.00000 0.00412 0.00384 143 4YZ 0.00000 0.00211 -0.01068 -0.00001 0.00000 144 14 H 1S 0.05630 0.00002 -0.00012 0.11907 0.03210 145 2S 0.04167 0.00002 -0.00010 0.10114 0.02768 146 15 H 1S -0.01331 -0.00001 0.00002 -0.06102 0.06222 147 2S -0.03006 0.00000 0.00000 -0.03521 0.07283 148 16 C 1S 0.00518 0.00791 -0.02766 0.01395 0.00599 149 2S -0.01232 -0.01777 0.06441 -0.02755 -0.01537 150 2PX -0.01746 0.01913 -0.02946 -0.02681 -0.00640 151 2PY 0.00191 -0.03759 0.24756 0.02598 -0.11890 152 2PZ 0.01242 -0.04374 0.16324 0.06908 -0.00850 153 3S -0.00619 -0.02268 0.10834 -0.06548 -0.01437 154 3PX -0.01157 0.00998 -0.00268 -0.01684 0.00357 155 3PY 0.00718 -0.01423 0.09108 -0.01424 -0.03581 156 3PZ 0.01969 -0.02173 0.06021 0.02341 -0.02460 157 4XX 0.00428 -0.00020 -0.00022 0.00702 0.00062 158 4YY -0.00230 0.00275 -0.01587 -0.00603 0.00393 159 4ZZ -0.00147 -0.00007 0.00691 0.00103 -0.00059 160 4XY 0.00008 -0.00024 0.00400 0.00262 -0.00410 161 4XZ -0.00166 0.00063 -0.00142 0.00104 0.00036 162 4YZ -0.00182 -0.00091 0.00053 0.00048 0.01077 163 17 H 1S -0.01297 0.02360 -0.15273 -0.04608 0.07425 164 2S -0.00445 0.01647 -0.14684 -0.03749 0.07294 165 18 C 1S 0.00593 -0.00220 -0.01387 0.00453 -0.01474 166 2S -0.01527 0.00493 0.03717 -0.01520 0.03445 167 2PX -0.03233 -0.01561 0.07811 -0.01452 0.02463 168 2PY -0.05421 -0.01204 0.02039 -0.07628 0.25097 169 2PZ 0.00326 0.06840 -0.23242 -0.04263 -0.05918 170 3S -0.02053 0.00386 0.02097 0.00412 0.05285 171 3PX -0.01974 0.00149 0.01837 -0.01054 0.00765 172 3PY -0.01458 -0.00990 0.01380 -0.02356 0.07832 173 3PZ 0.00026 0.02077 -0.04571 -0.03068 -0.02386 174 4XX 0.00113 0.00000 -0.00027 0.00191 -0.00182 175 4YY -0.00201 0.00233 -0.01102 -0.00339 0.00687 176 4ZZ 0.00122 -0.00018 0.00406 0.00150 -0.01183 177 4XY -0.00051 0.00128 -0.00490 0.00017 -0.00238 178 4XZ 0.00107 -0.00098 -0.00016 0.00001 0.00514 179 4YZ -0.00054 -0.00480 0.01346 -0.00084 0.00580 180 19 H 1S 0.01955 0.04541 -0.12660 0.00670 -0.11772 181 2S 0.02089 0.03908 -0.12884 0.01792 -0.11156 182 20 C 1S 0.00518 -0.00790 0.02763 0.01399 0.00600 183 2S -0.01231 0.01776 -0.06435 -0.02764 -0.01538 184 2PX -0.01747 -0.01912 0.02940 -0.02677 -0.00641 185 2PY -0.00193 -0.03761 0.24761 -0.02568 0.11888 186 2PZ 0.01243 0.04376 -0.16336 0.06884 -0.00855 187 3S -0.00618 0.02266 -0.10823 -0.06564 -0.01441 188 3PX -0.01157 -0.00998 0.00266 -0.01685 0.00357 189 3PY -0.00720 -0.01423 0.09107 0.01436 0.03583 190 3PZ 0.01969 0.02173 -0.06025 0.02332 -0.02462 191 4XX 0.00428 0.00021 0.00020 0.00702 0.00062 192 4YY -0.00230 -0.00275 0.01589 -0.00601 0.00394 193 4ZZ -0.00147 0.00007 -0.00691 0.00103 -0.00059 194 4XY -0.00008 -0.00024 0.00400 -0.00260 0.00410 195 4XZ -0.00166 -0.00063 0.00142 0.00104 0.00037 196 4YZ 0.00181 -0.00091 0.00055 -0.00048 -0.01077 197 21 H 1S -0.01297 -0.02361 0.15279 -0.04588 0.07424 198 2S -0.00445 -0.01649 0.14690 -0.03730 0.07292 199 22 C 1S 0.00593 0.00220 0.01388 0.00454 -0.01474 200 2S -0.01526 -0.00493 -0.03718 -0.01524 0.03444 201 2PX -0.03236 0.01561 -0.07809 -0.01468 0.02477 202 2PY 0.05419 -0.01201 0.02020 0.07631 -0.25094 203 2PZ 0.00326 -0.06842 0.23258 -0.04229 -0.05914 204 3S -0.02054 -0.00385 -0.02100 0.00411 0.05290 205 3PX -0.01975 -0.00149 -0.01836 -0.01058 0.00770 206 3PY 0.01457 -0.00989 0.01375 0.02358 -0.07833 207 3PZ 0.00026 -0.02078 0.04578 -0.03062 -0.02387 208 4XX 0.00113 0.00000 0.00028 0.00191 -0.00183 209 4YY -0.00201 -0.00233 0.01102 -0.00338 0.00687 210 4ZZ 0.00122 0.00018 -0.00406 0.00149 -0.01183 211 4XY 0.00052 0.00129 -0.00491 -0.00018 0.00237 212 4XZ 0.00107 0.00098 0.00015 0.00001 0.00514 213 4YZ 0.00053 -0.00480 0.01346 0.00086 -0.00579 214 23 H 1S 0.01954 -0.04542 0.12662 0.00688 -0.11767 215 2S 0.02088 -0.03909 0.12886 0.01810 -0.11150 36 37 38 39 40 O O O O O Eigenvalues -- -0.39570 -0.39320 -0.39082 -0.37876 -0.37212 1 1 C 1S -0.00070 -0.00635 -0.00179 -0.01373 0.00669 2 2S 0.00084 0.01228 0.00824 0.02263 -0.01124 3 2PX 0.03035 -0.04539 0.00196 -0.10650 0.04520 4 2PY -0.01081 -0.01006 0.13914 -0.00796 0.00294 5 2PZ 0.01572 0.11981 0.02154 0.06955 -0.07246 6 3S 0.00324 0.00880 -0.01611 0.10478 -0.04160 7 3PX 0.01912 -0.01755 -0.01580 -0.04581 0.01406 8 3PY -0.00268 0.01284 0.03420 0.06427 -0.02751 9 3PZ 0.00873 0.06607 0.02801 0.01915 -0.03732 10 4XX 0.00093 0.00390 -0.00264 -0.00128 -0.00211 11 4YY -0.00021 0.00088 0.00521 -0.00279 0.00136 12 4ZZ -0.00102 -0.00337 -0.00434 0.00437 -0.00019 13 4XY 0.00035 0.00324 -0.00093 0.01100 -0.00432 14 4XZ -0.00052 -0.00199 0.00436 -0.00299 0.00226 15 4YZ 0.00045 -0.01094 0.00225 -0.00702 0.00714 16 2 C 1S -0.00074 0.00397 -0.00441 -0.00167 0.00440 17 2S 0.00426 -0.01102 0.01083 0.00598 -0.01105 18 2PX 0.03374 0.21530 -0.00752 -0.00245 -0.11838 19 2PY 0.00776 -0.08042 -0.16750 0.03492 -0.00408 20 2PZ 0.03338 0.05063 0.01063 -0.23106 0.06113 21 3S -0.01375 -0.00460 -0.00428 -0.01635 -0.01711 22 3PX 0.01054 0.09158 0.01279 -0.04361 -0.03981 23 3PY -0.00080 -0.01087 0.02486 -0.00309 -0.00476 24 3PZ 0.01902 0.06148 0.01600 -0.08394 0.01294 25 4XX -0.00011 -0.00219 -0.00729 0.00139 0.00152 26 4YY 0.00013 0.00325 0.01008 -0.00280 -0.00139 27 4ZZ 0.00086 -0.00245 -0.00910 0.00126 -0.00001 28 4XY -0.00124 -0.00747 0.00195 0.00418 0.00239 29 4XZ -0.00105 -0.00062 0.00477 0.00170 0.00014 30 4YZ -0.00076 -0.00585 -0.00067 0.00868 -0.00019 31 3 C 1S -0.00226 0.00775 -0.00845 0.01389 -0.00832 32 2S 0.00411 -0.01031 0.02379 -0.02396 0.01425 33 2PX 0.02050 -0.00119 0.02783 -0.11534 0.05773 34 2PY -0.01544 -0.00312 0.18682 0.00896 -0.00650 35 2PZ 0.01832 0.09541 0.03200 0.07250 -0.09358 36 3S 0.02015 -0.07148 0.00366 -0.06138 0.03832 37 3PX 0.01014 0.00014 0.02712 -0.08326 0.01566 38 3PY -0.01586 -0.05486 0.05144 -0.04236 0.01535 39 3PZ 0.00961 0.03335 -0.00334 0.03857 -0.02858 40 4XX 0.00060 -0.00357 -0.00499 0.00409 -0.00246 41 4YY 0.00021 0.00331 0.00760 0.00182 -0.00127 42 4ZZ -0.00013 0.00065 -0.00560 -0.00679 0.00345 43 4XY 0.00010 0.00073 0.00081 0.00938 -0.00567 44 4XZ -0.00061 0.00213 0.00386 0.00081 -0.00068 45 4YZ 0.00050 -0.00989 -0.00177 -0.00614 0.00786 46 4 C 1S -0.00226 -0.00777 -0.00842 -0.01390 0.00833 47 2S 0.00411 0.01037 0.02376 0.02397 -0.01426 48 2PX 0.02049 0.00130 0.02790 0.11536 -0.05773 49 2PY 0.01545 -0.00362 -0.18680 0.00899 -0.00655 50 2PZ 0.01836 -0.09531 0.03229 -0.07248 0.09359 51 3S 0.02014 0.07149 0.00346 0.06140 -0.03833 52 3PX 0.01013 -0.00001 0.02711 0.08331 -0.01567 53 3PY 0.01588 -0.05499 -0.05126 -0.04232 0.01533 54 3PZ 0.00962 -0.03337 -0.00323 -0.03857 0.02858 55 4XX 0.00060 0.00356 -0.00500 -0.00410 0.00247 56 4YY 0.00022 -0.00329 0.00761 -0.00181 0.00126 57 4ZZ -0.00013 -0.00067 -0.00560 0.00679 -0.00345 58 4XY -0.00010 0.00073 -0.00082 0.00937 -0.00567 59 4XZ -0.00061 -0.00211 0.00386 -0.00080 0.00068 60 4YZ -0.00049 -0.00989 0.00180 -0.00614 0.00786 61 5 C 1S -0.00073 -0.00399 -0.00440 0.00167 -0.00440 62 2S 0.00426 0.01105 0.01080 -0.00598 0.01105 63 2PX 0.03383 -0.21524 -0.00699 0.00239 0.11836 64 2PY -0.00768 -0.08010 0.16769 0.03497 -0.00401 65 2PZ 0.03338 -0.05058 0.01073 0.23105 -0.06116 66 3S -0.01376 0.00459 -0.00431 0.01634 0.01711 67 3PX 0.01058 -0.09151 0.01307 0.04360 0.03980 68 3PY 0.00081 -0.01100 -0.02481 -0.00306 -0.00473 69 3PZ 0.01903 -0.06142 0.01617 0.08394 -0.01296 70 4XX -0.00012 0.00218 -0.00729 -0.00139 -0.00152 71 4YY 0.00013 -0.00324 0.01009 0.00281 0.00140 72 4ZZ 0.00086 0.00243 -0.00911 -0.00126 0.00001 73 4XY 0.00124 -0.00747 -0.00194 0.00417 0.00238 74 4XZ -0.00105 0.00063 0.00477 -0.00170 -0.00014 75 4YZ 0.00076 -0.00585 0.00069 0.00868 -0.00019 76 6 C 1S -0.00071 0.00635 -0.00181 0.01373 -0.00669 77 2S 0.00085 -0.01225 0.00828 -0.02263 0.01124 78 2PX 0.03031 0.04542 0.00190 0.10649 -0.04523 79 2PY 0.01084 -0.01040 -0.13911 -0.00793 0.00292 80 2PZ 0.01578 -0.11974 0.02189 -0.06957 0.07244 81 3S 0.00325 -0.00885 -0.01604 -0.10478 0.04160 82 3PX 0.01910 0.01751 -0.01583 0.04575 -0.01405 83 3PY 0.00269 0.01276 -0.03428 0.06429 -0.02752 84 3PZ 0.00876 -0.06598 0.02820 -0.01915 0.03730 85 4XX 0.00093 -0.00391 -0.00263 0.00126 0.00211 86 4YY -0.00021 -0.00086 0.00521 0.00281 -0.00137 87 4ZZ -0.00102 0.00336 -0.00434 -0.00437 0.00019 88 4XY -0.00035 0.00324 0.00091 0.01100 -0.00432 89 4XZ -0.00052 0.00201 0.00435 0.00299 -0.00226 90 4YZ -0.00045 -0.01095 -0.00221 -0.00702 0.00714 91 7 H 1S -0.00020 0.08190 -0.04247 0.09569 -0.06217 92 2S 0.00210 0.06757 -0.05641 0.08872 -0.05716 93 8 H 1S 0.00060 -0.06192 -0.06247 -0.08900 0.07936 94 2S -0.00516 -0.06364 -0.06878 -0.07026 0.07282 95 9 H 1S 0.00057 0.06175 -0.06269 0.08898 -0.07937 96 2S -0.00519 0.06345 -0.06898 0.07023 -0.07283 97 10 H 1S -0.00015 -0.08202 -0.04221 -0.09570 0.06217 98 2S 0.00214 -0.06773 -0.05618 -0.08874 0.05716 99 11 O 1S -0.00210 0.00668 0.02537 -0.00062 0.00139 100 2S 0.00270 -0.01507 -0.05347 0.00195 -0.00274 101 2PX 0.03261 0.23296 0.04612 -0.03936 -0.11328 102 2PY -0.02321 0.00901 0.22004 0.01620 0.01577 103 2PZ 0.02995 0.09294 0.05100 -0.25260 0.05112 104 3S 0.01547 -0.02186 -0.08803 -0.00290 -0.00801 105 3PX 0.02181 0.14505 0.02730 -0.02491 -0.07085 106 3PY -0.01087 0.00326 0.12988 0.01002 0.00819 107 3PZ 0.01797 0.05685 0.03060 -0.15986 0.03101 108 4XX 0.00004 0.00354 -0.00128 -0.00004 -0.00130 109 4YY -0.00226 -0.00222 0.01218 0.00290 0.00153 110 4ZZ -0.00017 0.00037 -0.00172 -0.00251 0.00060 111 4XY 0.00235 0.01585 0.00330 -0.00234 -0.00768 112 4XZ 0.00039 0.00231 0.00110 -0.00263 -0.00023 113 4YZ 0.00206 0.00586 0.00347 -0.01689 0.00347 114 12 O 1S -0.00209 -0.00660 0.02538 0.00063 -0.00139 115 2S 0.00269 0.01491 -0.05349 -0.00196 0.00275 116 2PX 0.03268 -0.23281 0.04697 0.03933 0.11324 117 2PY 0.02321 0.00821 -0.21999 0.01617 0.01585 118 2PZ 0.02998 -0.09279 0.05124 0.25261 -0.05116 119 3S 0.01545 0.02160 -0.08807 0.00288 0.00801 120 3PX 0.02186 -0.14496 0.02783 0.02489 0.07083 121 3PY 0.01087 0.00279 -0.12984 0.01001 0.00824 122 3PZ 0.01799 -0.05677 0.03075 0.15987 -0.03103 123 4XX 0.00005 -0.00356 -0.00127 0.00004 0.00131 124 4YY -0.00226 0.00228 0.01217 -0.00290 -0.00153 125 4ZZ -0.00017 -0.00038 -0.00172 0.00251 -0.00060 126 4XY -0.00235 0.01584 -0.00336 -0.00233 -0.00768 127 4XZ 0.00039 -0.00231 0.00110 0.00264 0.00023 128 4YZ -0.00206 0.00585 -0.00349 -0.01688 0.00347 129 13 C 1S -0.00244 0.00003 0.01935 0.00000 -0.00001 130 2S 0.01144 -0.00005 -0.04020 0.00000 0.00001 131 2PX -0.12521 0.00011 0.11935 -0.00002 -0.00013 132 2PY -0.00007 0.14702 -0.00013 0.11686 0.32378 133 2PZ 0.28986 -0.00004 -0.08529 0.00003 0.00005 134 3S 0.00733 -0.00016 -0.11013 0.00000 0.00003 135 3PX -0.05734 0.00008 0.06967 -0.00001 -0.00007 136 3PY -0.00003 0.06499 -0.00005 0.06164 0.17525 137 3PZ 0.12528 -0.00005 -0.05543 0.00001 0.00002 138 4XX -0.00084 0.00001 0.00242 0.00001 0.00001 139 4YY 0.01603 0.00000 -0.00029 0.00000 -0.00001 140 4ZZ -0.02091 0.00000 0.00156 0.00000 0.00000 141 4XY -0.00001 -0.00268 0.00000 -0.00580 -0.00774 142 4XZ -0.00066 0.00001 0.00534 0.00000 0.00000 143 4YZ 0.00000 0.00389 0.00000 0.00256 0.00945 144 14 H 1S -0.02854 0.00007 0.04531 0.00002 0.00000 145 2S -0.02431 0.00007 0.04786 0.00002 0.00000 146 15 H 1S -0.19430 0.00000 0.02952 -0.00001 -0.00001 147 2S -0.17436 0.00000 0.02728 -0.00001 -0.00002 148 16 C 1S -0.00987 -0.00148 0.00242 -0.00167 -0.00042 149 2S 0.01766 -0.00408 -0.01281 -0.00076 -0.00421 150 2PX 0.11957 -0.08419 0.00837 0.00473 -0.12702 151 2PY 0.01253 -0.06589 -0.12559 -0.11299 -0.17502 152 2PZ -0.22784 0.06395 -0.01635 0.05672 0.15602 153 3S 0.05279 0.03113 0.02780 0.03268 0.03758 154 3PX 0.04767 -0.05805 0.01426 0.00760 -0.05369 155 3PY 0.00834 -0.01358 -0.01438 -0.02066 -0.04643 156 3PZ -0.07679 0.04227 -0.00526 0.04268 0.06167 157 4XX 0.00018 -0.00030 0.00026 -0.00401 -0.00530 158 4YY 0.01290 0.00166 0.00387 0.00617 0.00723 159 4ZZ -0.01279 -0.00220 -0.00230 -0.00205 -0.00049 160 4XY 0.00411 -0.00292 -0.00485 -0.00335 -0.00693 161 4XZ 0.00422 0.00112 -0.00001 0.00027 0.00382 162 4YZ -0.00202 0.00387 0.00834 0.00359 0.00809 163 17 H 1S 0.05785 0.02739 0.08220 0.06834 0.08348 164 2S 0.05095 0.03686 0.08008 0.06584 0.07952 165 18 C 1S 0.01549 0.01052 -0.01077 0.00456 0.00792 166 2S -0.03475 -0.01893 0.02732 -0.00538 -0.00792 167 2PX -0.01180 -0.00155 0.02090 0.02043 0.02221 168 2PY 0.15117 0.01234 0.20555 -0.00505 -0.00137 169 2PZ 0.20465 -0.07676 -0.02501 -0.01880 -0.12809 170 3S -0.05544 -0.07412 0.02108 -0.06145 -0.09174 171 3PX -0.00145 -0.01216 0.00360 0.00507 -0.00136 172 3PY 0.06686 -0.00656 0.06555 -0.01957 -0.04502 173 3PZ 0.08681 -0.01484 0.00342 0.02191 -0.01836 174 4XX 0.00278 0.00056 -0.00100 0.00005 -0.00047 175 4YY 0.00329 0.00028 0.00625 0.00257 0.00190 176 4ZZ -0.00236 -0.00145 -0.01060 -0.00231 -0.00233 177 4XY 0.00173 -0.00062 -0.00223 -0.00231 -0.00309 178 4XZ -0.00248 0.00358 0.00452 0.00034 0.00442 179 4YZ -0.00086 0.00748 0.00544 0.00363 0.01342 180 19 H 1S 0.02882 -0.05943 -0.08932 -0.02165 -0.09111 181 2S 0.03415 -0.04937 -0.09341 -0.03474 -0.10366 182 20 C 1S -0.00988 0.00149 0.00242 0.00167 0.00042 183 2S 0.01768 0.00404 -0.01283 0.00076 0.00421 184 2PX 0.11956 0.08429 0.00810 -0.00468 0.12709 185 2PY -0.01249 -0.06548 0.12577 -0.11298 -0.17498 186 2PZ -0.22776 -0.06410 -0.01618 -0.05675 -0.15604 187 3S 0.05285 -0.03104 0.02788 -0.03267 -0.03757 188 3PX 0.04766 0.05811 0.01410 -0.00760 0.05370 189 3PY -0.00832 -0.01350 0.01442 -0.02065 -0.04642 190 3PZ -0.07675 -0.04232 -0.00514 -0.04268 -0.06167 191 4XX 0.00019 0.00030 0.00026 0.00401 0.00531 192 4YY 0.01289 -0.00165 0.00388 -0.00617 -0.00724 193 4ZZ -0.01279 0.00219 -0.00231 0.00205 0.00049 194 4XY -0.00412 -0.00291 0.00486 -0.00334 -0.00693 195 4XZ 0.00421 -0.00112 0.00000 -0.00027 -0.00382 196 4YZ 0.00203 0.00385 -0.00834 0.00359 0.00809 197 21 H 1S 0.05780 -0.02713 0.08227 -0.06835 -0.08352 198 2S 0.05090 -0.03661 0.08019 -0.06584 -0.07957 199 22 C 1S 0.01549 -0.01054 -0.01074 -0.00456 -0.00791 200 2S -0.03474 0.01899 0.02727 0.00538 0.00790 201 2PX -0.01167 0.00159 0.02101 -0.02042 -0.02223 202 2PY -0.15122 0.01167 -0.20557 -0.00504 -0.00128 203 2PZ 0.20452 0.07676 -0.02522 0.01881 0.12810 204 3S -0.05544 0.07415 0.02087 0.06144 0.09171 205 3PX -0.00139 0.01216 0.00360 -0.00506 0.00138 206 3PY -0.06689 -0.00677 -0.06554 -0.01956 -0.04497 207 3PZ 0.08678 0.01488 0.00338 -0.02191 0.01835 208 4XX 0.00278 -0.00056 -0.00100 -0.00004 0.00047 209 4YY 0.00328 -0.00026 0.00625 -0.00258 -0.00191 210 4ZZ -0.00236 0.00143 -0.01061 0.00231 0.00234 211 4XY -0.00173 -0.00061 0.00222 -0.00231 -0.00309 212 4XZ -0.00249 -0.00357 0.00453 -0.00035 -0.00443 213 4YZ 0.00085 0.00747 -0.00545 0.00363 0.01342 214 23 H 1S 0.02876 0.05918 -0.08947 0.02166 0.09117 215 2S 0.03409 0.04911 -0.09353 0.03475 0.10372 41 42 43 44 45 O O O O O Eigenvalues -- -0.32852 -0.28686 -0.25806 -0.25400 -0.25142 1 1 C 1S -0.00034 -0.00098 0.02012 0.01395 -0.01028 2 2S 0.00656 -0.00039 -0.04410 -0.03357 0.01612 3 2PX 0.03924 0.26644 -0.05717 -0.04243 0.01795 4 2PY -0.00001 -0.01738 0.02525 0.09595 -0.10390 5 2PZ 0.04154 0.22967 0.06360 0.05850 -0.06371 6 3S -0.01945 0.01741 -0.12860 -0.08627 0.08567 7 3PX 0.01401 0.18710 -0.03317 -0.02350 0.01669 8 3PY -0.00062 -0.01115 -0.01978 0.04892 -0.04478 9 3PZ 0.02655 0.16198 0.02692 0.03552 -0.04434 10 4XX 0.00056 0.00099 0.00115 -0.00169 -0.00001 11 4YY 0.00105 -0.00067 0.00163 0.00160 -0.00346 12 4ZZ -0.00038 -0.00045 -0.00014 -0.00065 0.00218 13 4XY 0.00013 0.01231 0.00465 -0.00102 -0.00036 14 4XZ -0.00164 -0.00031 0.00087 0.00195 -0.00069 15 4YZ 0.00003 0.01061 -0.00394 0.00095 -0.00341 16 2 C 1S -0.00648 0.00003 0.00636 0.00086 0.00234 17 2S 0.01638 0.00175 -0.01947 -0.00748 -0.01073 18 2PX 0.07321 -0.03287 0.02588 0.02497 -0.03925 19 2PY 0.00030 0.00033 -0.02095 -0.00754 -0.00754 20 2PZ 0.04259 -0.02609 -0.04499 -0.03708 0.02639 21 3S 0.01133 -0.00557 -0.00211 0.01512 0.01400 22 3PX 0.03885 -0.02216 -0.00570 -0.01910 0.03655 23 3PY 0.03026 -0.00074 -0.01804 -0.00287 -0.00546 24 3PZ 0.03378 -0.02795 -0.00879 0.02840 -0.03232 25 4XX -0.00750 -0.00945 0.00881 -0.00505 -0.01009 26 4YY 0.00395 -0.00171 -0.00278 0.00345 0.00448 27 4ZZ 0.00210 0.01147 -0.00642 0.00064 0.00498 28 4XY -0.00656 0.01266 0.01939 0.00736 -0.02257 29 4XZ -0.00269 0.00422 0.00353 -0.00018 0.00075 30 4YZ -0.00764 0.01235 -0.00588 -0.02379 0.00853 31 3 C 1S -0.00114 0.00538 -0.01711 0.00136 0.02259 32 2S 0.00995 -0.01227 0.02620 -0.00005 -0.04226 33 2PX -0.10176 -0.05830 0.04364 -0.23206 -0.08972 34 2PY 0.04679 0.02915 -0.00924 -0.03799 0.14409 35 2PZ -0.04382 -0.05586 0.15140 -0.09938 -0.15434 36 3S -0.01624 -0.02831 0.16207 0.00852 -0.14820 37 3PX -0.05402 -0.03573 0.05109 -0.17302 -0.07544 38 3PY 0.01599 0.02078 0.04323 -0.00280 0.08769 39 3PZ -0.04909 -0.02272 0.10514 -0.08220 -0.11510 40 4XX -0.00109 -0.00051 0.00382 0.00280 0.00059 41 4YY 0.00247 -0.00055 -0.00283 -0.00266 0.00339 42 4ZZ -0.00189 0.00099 -0.00215 0.00105 -0.00100 43 4XY -0.00248 -0.00087 -0.00243 -0.00866 -0.00495 44 4XZ -0.00395 0.00001 0.00607 0.00096 0.00265 45 4YZ -0.00351 -0.00023 -0.01037 -0.00394 -0.00476 46 4 C 1S -0.00113 0.00539 0.01716 0.00134 0.02256 47 2S 0.00994 -0.01228 -0.02628 -0.00001 -0.04220 48 2PX -0.10175 -0.05828 -0.04405 -0.23205 -0.08962 49 2PY -0.04685 -0.02919 -0.00942 0.03790 -0.14409 50 2PZ -0.04386 -0.05589 -0.15177 -0.09917 -0.15410 51 3S -0.01627 -0.02825 -0.16230 0.00876 -0.14787 52 3PX -0.05401 -0.03574 -0.05144 -0.17296 -0.07533 53 3PY -0.01601 -0.02084 0.04307 0.00265 -0.08781 54 3PZ -0.04912 -0.02270 -0.10541 -0.08207 -0.11494 55 4XX -0.00109 -0.00051 -0.00382 0.00280 0.00059 56 4YY 0.00247 -0.00055 0.00283 -0.00266 0.00338 57 4ZZ -0.00189 0.00099 0.00215 0.00104 -0.00100 58 4XY 0.00247 0.00087 -0.00241 0.00867 0.00495 59 4XZ -0.00395 0.00001 -0.00606 0.00097 0.00266 60 4YZ 0.00351 0.00022 -0.01036 0.00395 0.00478 61 5 C 1S -0.00648 0.00003 -0.00635 0.00086 0.00235 62 2S 0.01638 0.00175 0.01944 -0.00750 -0.01076 63 2PX 0.07321 -0.03287 -0.02588 0.02503 -0.03916 64 2PY -0.00025 -0.00035 -0.02096 0.00758 0.00753 65 2PZ 0.04260 -0.02607 0.04498 -0.03717 0.02628 66 3S 0.01135 -0.00562 0.00215 0.01514 0.01401 67 3PX 0.03887 -0.02217 0.00575 -0.01911 0.03655 68 3PY -0.03024 0.00075 -0.01801 0.00286 0.00552 69 3PZ 0.03379 -0.02794 0.00878 0.02839 -0.03232 70 4XX -0.00750 -0.00943 -0.00886 -0.00502 -0.01011 71 4YY 0.00396 -0.00173 0.00281 0.00344 0.00451 72 4ZZ 0.00210 0.01147 0.00642 0.00063 0.00497 73 4XY 0.00655 -0.01266 0.01941 -0.00740 0.02252 74 4XZ -0.00270 0.00423 -0.00352 -0.00019 0.00076 75 4YZ 0.00764 -0.01235 -0.00586 0.02380 -0.00850 76 6 C 1S -0.00034 -0.00098 -0.02012 0.01398 -0.01023 77 2S 0.00656 -0.00038 0.04408 -0.03365 0.01602 78 2PX 0.03925 0.26644 0.05710 -0.04246 0.01775 79 2PY 0.00004 0.01755 0.02533 -0.09603 0.10385 80 2PZ 0.04153 0.22967 -0.06365 0.05861 -0.06356 81 3S -0.01947 0.01746 0.12862 -0.08654 0.08533 82 3PX 0.01401 0.18711 0.03316 -0.02354 0.01658 83 3PY 0.00064 0.01126 -0.01975 -0.04889 0.04485 84 3PZ 0.02655 0.16197 -0.02697 0.03557 -0.04427 85 4XX 0.00056 0.00100 -0.00116 -0.00169 -0.00001 86 4YY 0.00105 -0.00068 -0.00163 0.00160 -0.00346 87 4ZZ -0.00038 -0.00045 0.00015 -0.00065 0.00218 88 4XY -0.00013 -0.01231 0.00466 0.00100 0.00035 89 4XZ -0.00164 -0.00031 -0.00086 0.00195 -0.00070 90 4YZ -0.00003 -0.01062 -0.00393 -0.00094 0.00342 91 7 H 1S 0.00492 0.00160 0.03068 -0.01159 0.01674 92 2S 0.00482 -0.00130 0.05643 0.01189 0.00015 93 8 H 1S -0.01027 0.00260 -0.07384 0.01152 -0.01199 94 2S -0.01318 0.01978 -0.09727 -0.00421 0.01397 95 9 H 1S -0.01025 0.00262 0.07384 0.01143 -0.01211 96 2S -0.01317 0.01981 0.09729 -0.00436 0.01379 97 10 H 1S 0.00491 0.00160 -0.03067 -0.01154 0.01681 98 2S 0.00481 -0.00130 -0.05641 0.01199 0.00028 99 11 O 1S -0.00143 -0.00014 0.00032 0.00012 0.00047 100 2S -0.00240 0.00270 0.00305 0.00198 0.00056 101 2PX 0.13323 -0.13454 -0.24215 -0.09983 0.30932 102 2PY -0.02415 0.04749 0.04022 -0.00289 -0.02054 103 2PZ 0.10008 -0.15713 0.05806 0.28912 -0.15080 104 3S 0.03383 -0.00596 -0.01804 -0.00913 -0.00976 105 3PX 0.09121 -0.09731 -0.17654 -0.06845 0.22321 106 3PY -0.00647 0.03136 0.02241 -0.00716 -0.01975 107 3PZ 0.06861 -0.11149 0.04134 0.20932 -0.10366 108 4XX -0.00093 -0.00230 -0.00038 -0.00067 0.00288 109 4YY -0.00375 0.00385 0.00323 -0.00028 -0.00149 110 4ZZ -0.00087 0.00035 0.00060 0.00296 0.00004 111 4XY 0.00787 -0.00654 -0.00927 -0.00283 0.01110 112 4XZ 0.00153 -0.00151 -0.00044 0.00166 0.00069 113 4YZ 0.00558 -0.00750 0.00109 0.01054 -0.00478 114 12 O 1S -0.00143 -0.00014 -0.00032 0.00012 0.00047 115 2S -0.00240 0.00270 -0.00305 0.00198 0.00056 116 2PX 0.13322 -0.13447 0.24246 -0.10023 0.30885 117 2PY 0.02426 -0.04759 0.04044 0.00278 0.02071 118 2PZ 0.10010 -0.15712 -0.05790 0.28929 -0.15053 119 3S 0.03384 -0.00597 0.01800 -0.00915 -0.00979 120 3PX 0.09121 -0.09727 0.17677 -0.06874 0.22285 121 3PY 0.00655 -0.03143 0.02259 0.00708 0.01988 122 3PZ 0.06862 -0.11148 -0.04121 0.20944 -0.10346 123 4XX -0.00092 -0.00231 0.00040 -0.00067 0.00289 124 4YY -0.00376 0.00386 -0.00325 -0.00027 -0.00150 125 4ZZ -0.00087 0.00035 -0.00060 0.00296 0.00004 126 4XY -0.00787 0.00653 -0.00928 0.00284 -0.01108 127 4XZ 0.00154 -0.00151 0.00044 0.00167 0.00069 128 4YZ -0.00558 0.00750 0.00109 -0.01054 0.00478 129 13 C 1S -0.00400 -0.00243 -0.00002 -0.01677 -0.01212 130 2S -0.00127 0.01049 0.00006 0.04641 0.02765 131 2PX -0.17464 -0.03315 -0.00005 -0.05318 -0.02976 132 2PY -0.00002 0.00000 -0.00131 -0.00001 -0.00001 133 2PZ -0.11335 -0.00666 0.00004 0.01729 0.02637 134 3S 0.07664 -0.00942 0.00006 0.04223 0.05213 135 3PX -0.11273 -0.01234 0.00001 0.01283 0.00528 136 3PY -0.00002 0.00000 0.01436 0.00001 -0.00001 137 3PZ -0.00270 -0.01692 -0.00001 -0.01566 -0.00436 138 4XX -0.02232 -0.00394 -0.00001 -0.00502 -0.00268 139 4YY 0.00294 0.00205 0.00001 0.00431 0.00267 140 4ZZ 0.01701 0.00245 0.00000 -0.00001 -0.00236 141 4XY -0.00001 0.00000 0.01160 -0.00001 -0.00001 142 4XZ -0.00519 -0.00130 -0.00001 -0.00435 -0.00240 143 4YZ 0.00000 0.00000 0.00720 0.00000 0.00000 144 14 H 1S -0.15828 -0.02755 -0.00002 -0.02920 -0.01135 145 2S -0.15896 -0.03703 -0.00007 -0.07548 -0.04154 146 15 H 1S 0.10720 0.01276 -0.00001 0.00294 -0.00811 147 2S 0.13435 0.00792 -0.00004 -0.01919 -0.03186 148 16 C 1S 0.00127 -0.00431 -0.01456 -0.01222 -0.00825 149 2S 0.00747 0.01364 0.03062 0.02542 0.01872 150 2PX 0.13527 0.03098 -0.21980 0.00970 0.00851 151 2PY 0.01291 -0.00353 0.04122 0.01482 0.00798 152 2PZ 0.06200 0.00586 -0.13127 -0.02195 -0.01071 153 3S -0.06675 0.00915 0.04834 0.06979 0.02987 154 3PX 0.07221 0.04172 -0.15276 0.00161 -0.00711 155 3PY -0.04082 0.00045 -0.01029 0.01743 0.02177 156 3PZ 0.03346 0.00470 -0.11930 -0.01191 0.00416 157 4XX -0.00927 -0.00238 0.00502 -0.00422 -0.00372 158 4YY -0.00041 0.00225 -0.00220 0.00503 0.00446 159 4ZZ 0.00842 0.00030 -0.00345 -0.00530 -0.00442 160 4XY 0.00316 0.00017 -0.00056 0.00011 -0.00078 161 4XZ 0.00638 -0.00218 -0.00333 -0.01053 -0.00944 162 4YZ -0.00089 0.00005 -0.00219 -0.00018 0.00002 163 17 H 1S -0.00613 0.01259 -0.02139 0.01641 0.01649 164 2S -0.01261 0.00090 -0.06661 0.01065 0.04453 165 18 C 1S -0.00615 0.00206 0.00457 0.00182 0.00127 166 2S 0.01291 -0.01098 -0.01857 0.00174 0.00377 167 2PX 0.24940 -0.01708 -0.13567 -0.17051 -0.16161 168 2PY -0.03650 -0.00216 0.01399 0.01396 0.01295 169 2PZ 0.04345 -0.01926 -0.00448 -0.04960 -0.05138 170 3S 0.03072 0.00252 0.07124 -0.03241 -0.03260 171 3PX 0.15936 -0.02919 -0.08871 -0.12401 -0.11862 172 3PY -0.01229 0.00605 0.04365 0.01005 0.00728 173 3PZ 0.01912 -0.01699 -0.05354 -0.03290 -0.02822 174 4XX 0.00160 0.00136 -0.00361 -0.00060 -0.00022 175 4YY -0.00021 -0.00120 -0.00049 0.00103 0.00120 176 4ZZ -0.00185 -0.00169 0.00514 0.00175 0.00101 177 4XY 0.00806 -0.00135 0.00882 -0.00643 -0.00634 178 4XZ -0.00690 -0.00099 0.00688 -0.00120 -0.00117 179 4YZ 0.00218 -0.00014 -0.00075 -0.00298 -0.00273 180 19 H 1S -0.00342 -0.00807 0.01986 0.00570 0.00379 181 2S 0.01129 0.00374 0.03732 0.01306 0.00641 182 20 C 1S 0.00128 -0.00431 0.01454 -0.01224 -0.00827 183 2S 0.00748 0.01363 -0.03058 0.02545 0.01876 184 2PX 0.13534 0.03101 0.21978 0.00947 0.00824 185 2PY -0.01290 0.00353 0.04127 -0.01486 -0.00802 186 2PZ 0.06203 0.00587 0.13123 -0.02211 -0.01089 187 3S -0.06675 0.00913 -0.04822 0.06985 0.02993 188 3PX 0.07222 0.04174 0.15273 0.00145 -0.00728 189 3PY 0.04083 -0.00042 -0.01031 -0.01741 -0.02173 190 3PZ 0.03348 0.00470 0.11929 -0.01205 0.00398 191 4XX -0.00926 -0.00238 -0.00503 -0.00421 -0.00372 192 4YY -0.00042 0.00225 0.00221 0.00503 0.00446 193 4ZZ 0.00843 0.00030 0.00343 -0.00531 -0.00443 194 4XY -0.00317 -0.00017 -0.00056 -0.00011 0.00077 195 4XZ 0.00638 -0.00218 0.00330 -0.01054 -0.00945 196 4YZ 0.00089 -0.00005 -0.00219 0.00018 -0.00002 197 21 H 1S -0.00615 0.01259 0.02145 0.01638 0.01647 198 2S -0.01265 0.00090 0.06669 0.01057 0.04442 199 22 C 1S -0.00616 0.00206 -0.00456 0.00183 0.00127 200 2S 0.01293 -0.01098 0.01858 0.00172 0.00374 201 2PX 0.24941 -0.01707 0.13512 -0.17066 -0.16178 202 2PY 0.03665 0.00215 0.01405 -0.01407 -0.01306 203 2PZ 0.04343 -0.01926 0.00432 -0.04959 -0.05138 204 3S 0.03075 0.00251 -0.07135 -0.03233 -0.03248 205 3PX 0.15937 -0.02918 0.08829 -0.12410 -0.11873 206 3PY 0.01237 -0.00605 0.04367 -0.01018 -0.00743 207 3PZ 0.01912 -0.01700 0.05345 -0.03295 -0.02830 208 4XX 0.00161 0.00136 0.00360 -0.00061 -0.00023 209 4YY -0.00022 -0.00120 0.00051 0.00104 0.00121 210 4ZZ -0.00185 -0.00169 -0.00513 0.00176 0.00102 211 4XY -0.00805 0.00135 0.00884 0.00642 0.00632 212 4XZ -0.00690 -0.00099 -0.00688 -0.00120 -0.00116 213 4YZ -0.00218 0.00014 -0.00074 0.00298 0.00274 214 23 H 1S -0.00343 -0.00807 -0.01984 0.00573 0.00382 215 2S 0.01127 0.00375 -0.03729 0.01311 0.00648 46 47 48 49 50 O V V V V Eigenvalues -- -0.24114 -0.09078 -0.03741 -0.02163 0.04089 1 1 C 1S 0.02951 0.00071 0.00253 -0.00384 -0.00670 2 2S -0.05927 -0.00097 -0.01594 0.01935 0.02121 3 2PX -0.08415 -0.18447 -0.07776 -0.13701 -0.09296 4 2PY 0.03723 0.00766 0.00679 -0.01240 0.01116 5 2PZ 0.08494 -0.15743 -0.05698 -0.13839 -0.05973 6 3S -0.22747 0.01894 0.02074 -0.07869 0.09266 7 3PX -0.04605 -0.19524 -0.06152 -0.23926 -0.13446 8 3PY -0.04037 0.03607 -0.00704 -0.05764 -0.03451 9 3PZ 0.03388 -0.17702 -0.04794 -0.15381 -0.07136 10 4XX 0.00114 -0.00640 0.00775 -0.00061 0.01394 11 4YY 0.00268 -0.00134 -0.00137 0.00182 0.00441 12 4ZZ 0.00154 0.00847 -0.00820 -0.00027 -0.01752 13 4XY 0.00623 0.01279 -0.00547 0.00772 -0.01508 14 4XZ -0.00065 0.00061 -0.00006 -0.00005 -0.00151 15 4YZ -0.00630 0.00927 -0.00372 0.00886 -0.00640 16 2 C 1S -0.00443 -0.00168 -0.00393 0.00375 0.00063 17 2S 0.01623 0.00166 0.01580 -0.00283 -0.00404 18 2PX 0.08190 -0.16415 0.11460 -0.00276 0.24313 19 2PY 0.01103 0.04155 -0.00963 -0.01097 -0.06011 20 2PZ -0.08540 -0.16407 0.07421 0.03997 0.26707 21 3S -0.02183 0.03536 0.00592 -0.04219 0.01790 22 3PX 0.00042 -0.11391 0.11972 0.00240 0.31230 23 3PY 0.00199 0.00473 0.00477 0.13076 -0.09487 24 3PZ -0.00142 -0.11562 0.06712 0.02230 0.27344 25 4XX 0.00103 0.00337 0.00581 0.01894 0.00130 26 4YY 0.00044 0.00540 -0.00117 -0.00213 -0.00406 27 4ZZ -0.00162 -0.00787 -0.00329 -0.01603 0.00413 28 4XY 0.01605 -0.01721 0.00786 -0.00191 0.00829 29 4XZ -0.00296 -0.00373 0.00006 -0.00599 0.00217 30 4YZ -0.02511 -0.01645 0.00631 0.00322 0.00626 31 3 C 1S -0.03173 0.00883 -0.01294 -0.02451 0.00799 32 2S 0.06385 -0.01380 0.03922 0.05453 -0.00848 33 2PX -0.14254 -0.08637 0.08233 0.21792 -0.15533 34 2PY -0.04349 0.02121 -0.01047 -0.03379 0.04543 35 2PZ 0.03372 -0.05251 0.06997 0.16763 -0.10100 36 3S 0.23115 -0.04183 -0.00619 0.02775 -0.10775 37 3PX -0.09815 -0.08712 0.11553 0.33313 -0.18477 38 3PY 0.02683 0.01933 0.01473 -0.15753 0.07061 39 3PZ 0.01159 -0.07655 0.09377 0.13595 -0.12263 40 4XX -0.00294 0.01156 -0.01592 -0.00179 -0.01425 41 4YY -0.00218 -0.00090 0.00290 -0.00212 0.00253 42 4ZZ -0.00343 -0.00608 0.00785 -0.00231 0.01454 43 4XY 0.00900 0.00379 0.00629 -0.01057 -0.01453 44 4XZ -0.00467 0.00364 -0.01199 -0.00055 0.00525 45 4YZ -0.00224 0.00353 0.00422 -0.00905 -0.01509 46 4 C 1S 0.03174 -0.00883 -0.01293 0.02453 0.00801 47 2S -0.06387 0.01381 0.03920 -0.05457 -0.00853 48 2PX 0.14244 0.08635 0.08220 -0.21792 -0.15530 49 2PY -0.04346 0.02124 0.01050 -0.03391 -0.04548 50 2PZ -0.03383 0.05251 0.06989 -0.16767 -0.10100 51 3S -0.23122 0.04184 -0.00614 -0.02782 -0.10771 52 3PX 0.09805 0.08711 0.11535 -0.33307 -0.18483 53 3PY 0.02685 0.01937 -0.01473 -0.15771 -0.07075 54 3PZ -0.01167 0.07653 0.09375 -0.13603 -0.12250 55 4XX 0.00293 -0.01156 -0.01592 0.00181 -0.01427 56 4YY 0.00219 0.00091 0.00290 0.00211 0.00255 57 4ZZ 0.00343 0.00608 0.00785 0.00231 0.01454 58 4XY 0.00900 0.00378 -0.00631 -0.01057 0.01451 59 4XZ 0.00467 -0.00364 -0.01199 0.00056 0.00524 60 4YZ -0.00224 0.00353 -0.00423 -0.00905 0.01509 61 5 C 1S 0.00444 0.00168 -0.00393 -0.00375 0.00064 62 2S -0.01624 -0.00167 0.01581 0.00284 -0.00404 63 2PX -0.08193 0.16409 0.11463 0.00272 0.24308 64 2PY 0.01099 0.04168 0.00972 -0.01099 0.06030 65 2PZ 0.08540 0.16408 0.07423 -0.04002 0.26709 66 3S 0.02184 -0.03534 0.00586 0.04220 0.01776 67 3PX -0.00041 0.11389 0.11973 -0.00255 0.31219 68 3PY 0.00200 0.00481 -0.00461 0.13073 0.09525 69 3PZ 0.00141 0.11562 0.06716 -0.02233 0.27347 70 4XX -0.00106 -0.00335 0.00581 -0.01894 0.00132 71 4YY -0.00041 -0.00542 -0.00118 0.00212 -0.00408 72 4ZZ 0.00162 0.00787 -0.00329 0.01604 0.00413 73 4XY 0.01606 -0.01721 -0.00785 -0.00192 -0.00828 74 4XZ 0.00298 0.00375 0.00007 0.00598 0.00218 75 4YZ -0.02511 -0.01645 -0.00631 0.00323 -0.00626 76 6 C 1S -0.02952 -0.00071 0.00254 0.00383 -0.00670 77 2S 0.05927 0.00097 -0.01595 -0.01934 0.02119 78 2PX 0.08414 0.18447 -0.07765 0.13706 -0.09298 79 2PY 0.03732 0.00778 -0.00684 -0.01231 -0.01121 80 2PZ -0.08494 0.15744 -0.05689 0.13841 -0.05976 81 3S 0.22749 -0.01893 0.02079 0.07867 0.09279 82 3PX 0.04609 0.19521 -0.06137 0.23932 -0.13446 83 3PY -0.04032 0.03620 0.00697 -0.05748 0.03438 84 3PZ -0.03389 0.17703 -0.04785 0.15383 -0.07144 85 4XX -0.00115 0.00639 0.00774 0.00060 0.01392 86 4YY -0.00268 0.00135 -0.00136 -0.00181 0.00443 87 4ZZ -0.00154 -0.00847 -0.00820 0.00027 -0.01752 88 4XY 0.00623 0.01280 0.00548 0.00772 0.01508 89 4XZ 0.00066 -0.00061 -0.00006 0.00005 -0.00151 90 4YZ -0.00629 0.00927 0.00373 0.00885 0.00639 91 7 H 1S 0.04682 0.00722 -0.00304 -0.00131 -0.01780 92 2S 0.09496 0.02192 -0.00673 -0.04453 -0.12651 93 8 H 1S -0.01689 -0.01636 0.03843 -0.03280 -0.00227 94 2S -0.06282 -0.03334 0.11169 -0.13645 0.03571 95 9 H 1S 0.01688 0.01635 0.03844 0.03280 -0.00225 96 2S 0.06283 0.03331 0.11177 0.13640 0.03583 97 10 H 1S -0.04681 -0.00723 -0.00304 0.00131 -0.01781 98 2S -0.09495 -0.02194 -0.00671 0.04453 -0.12650 99 11 O 1S -0.00020 0.00210 -0.00118 -0.00416 0.00159 100 2S -0.00098 -0.00392 0.00114 -0.00743 -0.00044 101 2PX -0.17434 0.19934 -0.07695 0.01378 -0.16452 102 2PY -0.00699 -0.05230 0.01713 0.00126 0.03186 103 2PZ 0.29091 0.18463 -0.06514 -0.02536 -0.17232 104 3S 0.00881 -0.02664 0.02080 0.11890 -0.03064 105 3PX -0.12722 0.17400 -0.08654 0.01378 -0.18822 106 3PY -0.00079 -0.05227 0.02519 0.03583 0.02898 107 3PZ 0.21388 0.16386 -0.06611 -0.01924 -0.19062 108 4XX -0.00213 0.00247 -0.00090 -0.00262 0.00200 109 4YY -0.00051 -0.00145 0.00000 -0.00313 -0.00080 110 4ZZ 0.00156 -0.00018 -0.00074 -0.00896 0.00172 111 4XY -0.00452 0.00172 0.00003 0.00041 0.00221 112 4XZ 0.00070 0.00056 -0.00047 -0.00095 0.00111 113 4YZ 0.00928 0.00181 0.00016 0.00143 0.00362 114 12 O 1S 0.00020 -0.00210 -0.00118 0.00416 0.00159 115 2S 0.00098 0.00392 0.00114 0.00743 -0.00045 116 2PX 0.17450 -0.19929 -0.07698 -0.01375 -0.16449 117 2PY -0.00686 -0.05246 -0.01719 0.00126 -0.03197 118 2PZ -0.29087 -0.18463 -0.06516 0.02542 -0.17233 119 3S -0.00882 0.02664 0.02077 -0.11889 -0.03072 120 3PX 0.12734 -0.17394 -0.08655 -0.01378 -0.18819 121 3PY -0.00068 -0.05240 -0.02526 0.03583 -0.02910 122 3PZ -0.21385 -0.16387 -0.06614 0.01929 -0.19064 123 4XX 0.00214 -0.00247 -0.00090 0.00262 0.00200 124 4YY 0.00051 0.00146 0.00000 0.00313 -0.00080 125 4ZZ -0.00156 0.00018 -0.00074 0.00896 0.00173 126 4XY -0.00452 0.00172 -0.00003 0.00041 -0.00221 127 4XZ -0.00071 -0.00056 -0.00047 0.00095 0.00112 128 4YZ 0.00927 0.00181 -0.00016 0.00143 -0.00362 129 13 C 1S 0.00000 0.00000 -0.00287 0.00000 -0.02279 130 2S 0.00001 0.00000 0.01518 0.00000 0.04696 131 2PX -0.00001 0.00001 -0.03013 -0.00003 -0.01467 132 2PY -0.00274 -0.01561 0.00002 0.08885 0.00001 133 2PZ 0.00001 0.00000 0.03692 0.00000 -0.00565 134 3S 0.00002 0.00001 -0.01962 0.00003 0.30734 135 3PX 0.00000 0.00000 0.01549 -0.00005 0.08571 136 3PY -0.00589 -0.01032 0.00002 0.12046 0.00007 137 3PZ 0.00000 0.00000 0.08851 -0.00001 0.03173 138 4XX 0.00000 0.00000 -0.02534 0.00000 0.00296 139 4YY 0.00000 0.00000 0.01141 0.00000 -0.00051 140 4ZZ 0.00000 0.00000 0.01505 0.00000 -0.00218 141 4XY -0.00875 0.00677 -0.00002 0.00274 0.00000 142 4XZ 0.00000 0.00000 0.00237 0.00000 -0.00387 143 4YZ -0.00563 0.00316 0.00000 0.00062 0.00000 144 14 H 1S -0.00001 0.00001 -0.11558 0.00003 0.00735 145 2S -0.00003 0.00002 -0.30992 0.00008 -0.11961 146 15 H 1S 0.00000 0.00000 0.05607 -0.00002 -0.00834 147 2S -0.00001 -0.00001 0.21796 -0.00006 -0.12702 148 16 C 1S 0.01080 -0.01448 0.02226 0.00478 -0.00859 149 2S -0.02188 0.03488 -0.03351 -0.02528 0.02228 150 2PX 0.16095 -0.11127 0.32925 0.01523 -0.10598 151 2PY -0.03888 0.02453 -0.00949 0.00019 0.00169 152 2PZ 0.07917 -0.05171 0.12275 -0.01088 -0.06159 153 3S -0.03098 0.07315 -0.18621 0.07996 0.04881 154 3PX 0.12872 -0.12859 0.39659 0.00957 -0.19759 155 3PY -0.01949 0.02180 -0.02956 0.03146 -0.05718 156 3PZ 0.08057 -0.05572 0.11103 -0.00014 -0.06215 157 4XX -0.00187 -0.00328 0.00779 0.00114 -0.00285 158 4YY 0.00207 0.00053 0.00053 -0.00331 0.00311 159 4ZZ 0.00081 -0.00078 -0.00037 0.00630 -0.00194 160 4XY 0.00013 -0.00022 -0.00140 -0.00010 0.00733 161 4XZ 0.00262 -0.00627 -0.00270 0.01985 -0.00435 162 4YZ 0.00111 0.00016 -0.00048 0.00033 -0.00040 163 17 H 1S 0.02134 -0.00200 0.01069 -0.02210 -0.00084 164 2S 0.02040 0.00224 0.03326 -0.03076 -0.07762 165 18 C 1S -0.00078 -0.00215 -0.00164 -0.00343 -0.00038 166 2S 0.00625 0.01703 -0.00482 0.00854 -0.00794 167 2PX 0.09684 -0.08282 -0.15139 0.25302 0.06001 168 2PY -0.00821 -0.00431 0.00667 -0.00232 0.00762 169 2PZ 0.02142 -0.02262 -0.05380 0.10648 0.03241 170 3S -0.04292 -0.03236 0.05830 -0.01772 0.03421 171 3PX 0.06582 -0.05563 -0.20027 0.33006 0.07933 172 3PY -0.01936 -0.01146 -0.00684 -0.03807 -0.00149 173 3PZ 0.03646 0.00501 -0.09540 0.17990 0.02090 174 4XX 0.00232 -0.00306 0.00811 0.00020 -0.00282 175 4YY 0.00097 0.00051 -0.00037 -0.00120 -0.00013 176 4ZZ -0.00354 0.00496 -0.00943 -0.00062 0.00126 177 4XY -0.00633 0.00489 -0.01210 -0.01307 0.00887 178 4XZ -0.00454 0.00206 -0.01338 -0.00008 0.00615 179 4YZ -0.00062 0.00031 -0.00324 -0.00570 0.00355 180 19 H 1S -0.00729 0.01518 -0.00020 0.00059 -0.00977 181 2S -0.01188 -0.00562 -0.01250 -0.05520 -0.02895 182 20 C 1S -0.01082 0.01449 0.02227 -0.00479 -0.00859 183 2S 0.02192 -0.03489 -0.03351 0.02530 0.02229 184 2PX -0.16091 0.11120 0.32922 -0.01539 -0.10598 185 2PY -0.03895 0.02458 0.00961 0.00017 -0.00173 186 2PZ -0.07919 0.05170 0.12274 0.01083 -0.06158 187 3S 0.03105 -0.07319 -0.18627 -0.07986 0.04877 188 3PX -0.12870 0.12851 0.39654 -0.00981 -0.19765 189 3PY -0.01954 0.02184 0.02972 0.03144 0.05714 190 3PZ -0.08059 0.05573 0.11102 0.00009 -0.06214 191 4XX 0.00186 0.00328 0.00779 -0.00114 -0.00285 192 4YY -0.00207 -0.00053 0.00053 0.00331 0.00310 193 4ZZ -0.00081 0.00078 -0.00037 -0.00630 -0.00194 194 4XY 0.00013 -0.00022 0.00140 -0.00010 -0.00733 195 4XZ -0.00263 0.00627 -0.00270 -0.01985 -0.00436 196 4YZ 0.00110 0.00017 0.00048 0.00032 0.00040 197 21 H 1S -0.02133 0.00201 0.01073 0.02210 -0.00087 198 2S -0.02040 -0.00221 0.03329 0.03075 -0.07764 199 22 C 1S 0.00079 0.00215 -0.00165 0.00343 -0.00038 200 2S -0.00625 -0.01702 -0.00481 -0.00853 -0.00794 201 2PX -0.09695 0.08284 -0.15147 -0.25296 0.05999 202 2PY -0.00829 -0.00426 -0.00676 -0.00246 -0.00758 203 2PZ -0.02144 0.02261 -0.05384 -0.10644 0.03240 204 3S 0.04290 0.03234 0.05831 0.01769 0.03416 205 3PX -0.06589 0.05566 -0.20041 -0.32995 0.07930 206 3PY -0.01941 -0.01141 0.00672 -0.03824 0.00158 207 3PZ -0.03649 -0.00500 -0.09545 -0.17984 0.02084 208 4XX -0.00231 0.00306 0.00809 -0.00019 -0.00281 209 4YY -0.00098 -0.00050 -0.00036 0.00119 -0.00014 210 4ZZ 0.00354 -0.00496 -0.00942 0.00062 0.00126 211 4XY -0.00632 0.00489 0.01210 -0.01308 -0.00888 212 4XZ 0.00454 -0.00206 -0.01338 0.00009 0.00615 213 4YZ -0.00062 0.00031 0.00323 -0.00571 -0.00355 214 23 H 1S 0.00729 -0.01518 -0.00020 -0.00060 -0.00977 215 2S 0.01188 0.00564 -0.01247 0.05520 -0.02893 51 52 53 54 55 V V V V V Eigenvalues -- 0.06875 0.08016 0.10838 0.12068 0.13553 1 1 C 1S 0.00460 -0.02063 -0.03694 0.03559 0.00977 2 2S -0.02477 0.04465 0.05260 -0.05448 -0.00698 3 2PX -0.20375 0.00154 -0.07503 0.12344 0.00842 4 2PY 0.00463 -0.03706 -0.06417 0.09463 0.02665 5 2PZ -0.16988 0.02127 0.07166 -0.16269 -0.03044 6 3S 0.10395 0.23862 0.59670 -0.75007 -0.23220 7 3PX -0.25415 -0.04468 -0.13217 0.29428 -0.01496 8 3PY 0.08093 -0.11726 -0.23634 0.34731 0.07969 9 3PZ -0.30978 0.06329 0.16485 -0.32782 -0.01737 10 4XX 0.00560 -0.00350 -0.00748 0.00275 0.00397 11 4YY 0.00074 0.00343 0.00233 -0.00148 -0.00039 12 4ZZ -0.00743 -0.00136 -0.00463 0.00071 -0.00153 13 4XY 0.00978 -0.00179 -0.00974 0.00996 -0.00241 14 4XZ 0.00029 0.00435 0.00745 -0.00083 -0.00062 15 4YZ 0.00860 0.00441 0.00980 -0.01543 -0.00305 16 2 C 1S -0.00001 -0.00241 -0.00632 0.01060 -0.02265 17 2S 0.00084 0.01951 0.01792 -0.02414 0.04367 18 2PX 0.11099 -0.00109 -0.01575 0.04942 0.08987 19 2PY -0.02871 -0.01227 -0.01973 -0.01035 0.02122 20 2PZ 0.10343 -0.01997 -0.01054 -0.01740 0.00172 21 3S -0.04222 -0.10222 -0.00535 -0.08256 0.26915 22 3PX 0.09227 -0.03481 -0.02173 -0.05942 0.09365 23 3PY -0.16650 0.07338 -0.11226 -0.11272 0.13102 24 3PZ 0.12894 0.00027 -0.02445 0.10996 0.05828 25 4XX 0.01655 0.00642 0.00810 -0.00409 -0.00414 26 4YY -0.00347 -0.01559 -0.01808 0.01200 -0.00646 27 4ZZ -0.01314 0.00837 0.00792 -0.00409 0.00391 28 4XY 0.00072 -0.00564 -0.00103 -0.00386 -0.00362 29 4XZ 0.00148 -0.00546 -0.00504 0.00234 -0.00028 30 4YZ 0.00359 -0.00101 -0.00360 0.00745 0.00071 31 3 C 1S -0.00495 -0.04311 -0.03003 -0.01530 -0.00504 32 2S -0.00024 0.06145 0.06098 0.00794 -0.01128 33 2PX 0.08002 0.06977 0.02578 0.06106 0.01311 34 2PY -0.03101 -0.07291 -0.03592 -0.03001 -0.03944 35 2PZ 0.05405 -0.10310 -0.04169 -0.08888 -0.11729 36 3S 0.11269 0.64950 0.41366 0.43196 0.21397 37 3PX 0.06207 0.16258 0.04838 0.06564 0.15512 38 3PY 0.01261 -0.26935 -0.16604 -0.17572 -0.09488 39 3PZ 0.20576 -0.24651 -0.11942 -0.14953 -0.27671 40 4XX -0.01459 -0.00535 -0.00269 -0.00401 0.00544 41 4YY 0.00369 0.00217 0.00599 0.00022 -0.00567 42 4ZZ 0.00580 -0.00775 -0.00630 0.00059 -0.00295 43 4XY -0.00318 0.00764 0.00780 0.00244 0.00900 44 4XZ -0.00644 0.00267 0.00429 -0.00308 -0.00367 45 4YZ -0.00364 -0.00610 -0.00461 -0.00208 -0.01377 46 4 C 1S 0.00495 -0.04311 -0.03003 -0.01530 -0.00285 47 2S 0.00023 0.06141 0.06100 0.00795 -0.01543 48 2PX -0.07999 0.06972 0.02573 0.06105 0.00899 49 2PY -0.03104 0.07297 0.03593 0.03006 0.03766 50 2PZ -0.05412 -0.10307 -0.04171 -0.08888 -0.11619 51 3S -0.11256 0.64961 0.41356 0.43194 0.19520 52 3PX -0.06208 0.16229 0.04830 0.06554 0.13986 53 3PY 0.01264 0.26930 0.16614 0.17576 0.08521 54 3PZ -0.20586 -0.24631 -0.11961 -0.14959 -0.25827 55 4XX 0.01460 -0.00535 -0.00267 -0.00400 0.00557 56 4YY -0.00369 0.00217 0.00597 0.00021 -0.00531 57 4ZZ -0.00580 -0.00775 -0.00630 0.00059 -0.00290 58 4XY -0.00317 -0.00764 -0.00781 -0.00245 -0.00907 59 4XZ 0.00645 0.00266 0.00429 -0.00308 -0.00378 60 4YZ -0.00363 0.00611 0.00461 0.00208 0.01391 61 5 C 1S 0.00000 -0.00241 -0.00632 0.01059 -0.02324 62 2S -0.00083 0.01953 0.01791 -0.02415 0.04563 63 2PX -0.11095 -0.00103 -0.01577 0.04940 0.09293 64 2PY -0.02880 0.01227 0.01972 0.01038 -0.02217 65 2PZ -0.10343 -0.01991 -0.01056 -0.01741 0.00374 66 3S 0.04223 -0.10230 -0.00526 -0.08252 0.26628 67 3PX -0.09215 -0.03469 -0.02177 -0.05947 0.09462 68 3PY -0.16655 -0.07320 0.11210 0.11263 -0.11570 69 3PZ -0.12892 0.00030 -0.02447 0.10993 0.05826 70 4XX -0.01655 0.00642 0.00810 -0.00409 -0.00425 71 4YY 0.00346 -0.01558 -0.01808 0.01200 -0.00629 72 4ZZ 0.01314 0.00836 0.00792 -0.00409 0.00384 73 4XY 0.00071 0.00566 0.00105 0.00385 0.00355 74 4XZ -0.00149 -0.00546 -0.00504 0.00235 0.00001 75 4YZ 0.00359 0.00100 0.00359 -0.00745 -0.00068 76 6 C 1S -0.00460 -0.02062 -0.03694 0.03559 0.01061 77 2S 0.02479 0.04463 0.05261 -0.05448 -0.00930 78 2PX 0.20375 0.00142 -0.07506 0.12351 0.00738 79 2PY 0.00476 0.03705 0.06412 -0.09454 -0.02772 80 2PZ 0.16989 0.02119 0.07168 -0.16269 -0.03174 81 3S -0.10393 0.23874 0.59664 -0.75008 -0.22939 82 3PX 0.25408 -0.04481 -0.13237 0.29452 -0.00852 83 3PY 0.08110 0.11716 0.23630 -0.34706 -0.08898 84 3PZ 0.30979 0.06308 0.16495 -0.32780 -0.02882 85 4XX -0.00561 -0.00350 -0.00749 0.00277 0.00411 86 4YY -0.00073 0.00344 0.00234 -0.00149 -0.00023 87 4ZZ 0.00743 -0.00137 -0.00463 0.00071 -0.00162 88 4XY 0.00977 0.00178 0.00973 -0.00996 0.00240 89 4XZ -0.00029 0.00435 0.00746 -0.00084 -0.00083 90 4YZ 0.00860 -0.00441 -0.00979 0.01543 0.00302 91 7 H 1S 0.00056 -0.02311 -0.06735 0.06034 0.00798 92 2S 0.04385 -0.29692 -0.73989 1.10480 0.18404 93 8 H 1S 0.03178 -0.03868 -0.04204 -0.00662 -0.04617 94 2S 0.13923 -0.79228 -0.47038 -0.44708 -0.54559 95 9 H 1S -0.03178 -0.03866 -0.04204 -0.00663 -0.04530 96 2S -0.13946 -0.79203 -0.47053 -0.44712 -0.51117 97 10 H 1S -0.00056 -0.02310 -0.06735 0.06034 0.00890 98 2S -0.04390 -0.29683 -0.73997 1.10477 0.19953 99 11 O 1S 0.00550 0.00015 0.01090 0.00022 0.00030 100 2S -0.00396 -0.00949 -0.02420 0.00566 -0.00312 101 2PX -0.05655 0.01163 -0.02110 -0.02066 -0.02828 102 2PY 0.00313 -0.04543 -0.05326 0.03443 -0.01728 103 2PZ -0.06290 0.00271 -0.00545 -0.01674 -0.02030 104 3S -0.10263 0.06395 -0.11488 -0.05073 0.03005 105 3PX -0.07137 0.01120 -0.00456 -0.01766 -0.04591 106 3PY -0.01937 -0.00252 -0.07468 0.00458 -0.00284 107 3PZ -0.07755 0.00951 -0.00280 -0.01875 -0.01607 108 4XX 0.00677 -0.00287 0.00250 0.00349 -0.00096 109 4YY 0.00042 0.00347 0.00131 -0.00357 0.00208 110 4ZZ 0.00092 -0.00325 0.00053 0.00146 -0.00065 111 4XY 0.00106 0.00226 -0.00119 0.00247 0.00293 112 4XZ -0.00006 0.00039 0.00100 -0.00092 0.00112 113 4YZ 0.00170 -0.00013 -0.00006 -0.00353 -0.00071 114 12 O 1S -0.00550 0.00015 0.01089 0.00022 0.00082 115 2S 0.00396 -0.00950 -0.02419 0.00566 -0.00368 116 2PX 0.05654 0.01155 -0.02111 -0.02063 -0.03042 117 2PY 0.00318 0.04543 0.05325 -0.03444 0.01707 118 2PZ 0.06289 0.00268 -0.00544 -0.01673 -0.02068 119 3S 0.10261 0.06383 -0.11480 -0.05070 0.01985 120 3PX 0.07137 0.01115 -0.00460 -0.01766 -0.04801 121 3PY -0.01931 0.00255 0.07465 -0.00460 0.00568 122 3PZ 0.07755 0.00947 -0.00279 -0.01875 -0.01699 123 4XX -0.00677 -0.00286 0.00250 0.00349 -0.00064 124 4YY -0.00042 0.00347 0.00131 -0.00357 0.00196 125 4ZZ -0.00092 -0.00325 0.00053 0.00146 -0.00040 126 4XY 0.00105 -0.00227 0.00119 -0.00246 -0.00293 127 4XZ 0.00006 0.00039 0.00100 -0.00092 0.00110 128 4YZ 0.00170 0.00013 0.00006 0.00353 0.00067 129 13 C 1S -0.00001 -0.05775 -0.00954 -0.04597 0.08044 130 2S 0.00000 0.06254 0.00439 0.04166 -0.07613 131 2PX 0.00005 0.04353 -0.00250 0.06582 -0.33854 132 2PY -0.09109 0.00006 -0.00002 0.00002 0.00092 133 2PZ -0.00004 -0.14644 -0.02311 -0.08522 -0.06111 134 3S 0.00015 1.00404 0.17489 0.89619 -1.48386 135 3PX 0.00015 0.02456 0.02195 0.10803 -0.93521 136 3PY -0.31515 0.00010 -0.00002 0.00005 0.00530 137 3PZ -0.00009 -0.33555 -0.19354 -0.27676 -0.35767 138 4XX 0.00001 -0.00842 -0.00122 -0.00310 0.01190 139 4YY -0.00001 0.00503 -0.01415 -0.00933 0.00502 140 4ZZ 0.00000 -0.00874 0.01021 0.00175 0.00334 141 4XY -0.01915 0.00000 0.00000 0.00000 -0.00009 142 4XZ 0.00000 0.00328 -0.00708 -0.00468 0.00659 143 4YZ -0.00557 0.00000 -0.00001 0.00000 -0.00020 144 14 H 1S -0.00001 -0.03035 -0.00808 -0.01370 0.06349 145 2S -0.00009 -0.36818 -0.03027 -0.39529 1.82436 146 15 H 1S -0.00001 -0.02343 0.03170 -0.00148 0.00270 147 2S -0.00015 -0.84631 -0.15944 -0.61247 0.07937 148 16 C 1S 0.03890 -0.02406 0.03374 0.01420 0.00524 149 2S -0.06665 0.05476 -0.06434 -0.01427 -0.03334 150 2PX 0.16455 0.06462 -0.00492 -0.00534 0.02263 151 2PY -0.02943 -0.10366 0.08002 0.00968 0.01815 152 2PZ 0.12846 0.01037 0.04638 0.02577 -0.00597 153 3S -0.44970 0.31257 -0.38569 -0.19457 0.02547 154 3PX 0.21512 0.09625 -0.05224 -0.06505 0.26577 155 3PY -0.06381 -0.26484 0.24527 -0.01227 0.09442 156 3PZ 0.23674 0.09710 0.22495 0.18553 0.08470 157 4XX 0.01484 0.00270 -0.00246 -0.00151 -0.00268 158 4YY -0.00178 -0.01046 0.01386 0.00678 0.00011 159 4ZZ -0.00493 0.00576 -0.00449 -0.00010 0.00043 160 4XY -0.00164 -0.00072 -0.00119 -0.00002 -0.00855 161 4XZ -0.01084 -0.00308 0.00253 -0.00065 0.00369 162 4YZ -0.00232 -0.00828 0.00692 0.00342 -0.00753 163 17 H 1S 0.00000 -0.03414 0.05508 0.02903 -0.00108 164 2S 0.15610 -0.54473 0.63047 0.18051 0.09542 165 18 C 1S 0.00373 -0.02409 0.03365 0.02117 -0.00720 166 2S -0.01374 0.05406 -0.04575 -0.01909 -0.01333 167 2PX -0.24093 -0.03823 0.03839 0.04396 -0.05802 168 2PY -0.01525 -0.03181 0.10036 0.07417 -0.00990 169 2PZ -0.08023 0.05759 -0.11093 -0.07596 0.00534 170 3S -0.02450 0.25154 -0.66773 -0.49742 0.11125 171 3PX -0.38982 -0.10176 0.08158 0.07912 -0.06945 172 3PY -0.03783 -0.05425 0.22589 0.21556 -0.05573 173 3PZ -0.14437 0.12921 -0.20121 -0.17320 0.01431 174 4XX 0.00302 -0.00016 -0.00164 -0.00037 -0.00006 175 4YY 0.00299 0.00346 0.00162 0.00332 -0.00249 176 4ZZ -0.00691 -0.00611 0.00278 0.00137 -0.00678 177 4XY 0.01080 -0.00567 0.00433 0.00240 -0.00468 178 4XZ -0.00405 -0.00115 -0.00317 0.00003 0.00000 179 4YZ 0.00464 0.01248 -0.01354 -0.00535 0.00023 180 19 H 1S 0.00058 -0.04247 0.04775 0.01993 -0.01065 181 2S -0.04447 -0.44333 0.78466 0.59055 -0.13083 182 20 C 1S -0.03894 -0.02404 0.03373 0.01420 0.00668 183 2S 0.06671 0.05472 -0.06432 -0.01428 -0.03486 184 2PX -0.16453 0.06462 -0.00492 -0.00534 0.01794 185 2PY -0.02943 0.10368 -0.08007 -0.00971 -0.02244 186 2PZ -0.12852 0.01046 0.04633 0.02577 -0.00641 187 3S 0.45003 0.31231 -0.38558 -0.19457 -0.00465 188 3PX -0.21506 0.09622 -0.05222 -0.06508 0.25586 189 3PY -0.06373 0.26482 -0.24543 0.01212 -0.10592 190 3PZ -0.23683 0.09726 0.22484 0.18553 0.08012 191 4XX -0.01484 0.00270 -0.00246 -0.00151 -0.00284 192 4YY 0.00177 -0.01046 0.01386 0.00678 0.00007 193 4ZZ 0.00493 0.00577 -0.00449 -0.00010 0.00079 194 4XY -0.00165 0.00072 0.00118 0.00001 0.00832 195 4XZ 0.01084 -0.00309 0.00254 -0.00064 0.00365 196 4YZ -0.00231 0.00827 -0.00692 -0.00342 0.00739 197 21 H 1S -0.00005 -0.03413 0.05509 0.02903 -0.00093 198 2S -0.15649 -0.54456 0.63052 0.18059 0.12254 199 22 C 1S -0.00374 -0.02410 0.03365 0.02117 -0.00803 200 2S 0.01376 0.05407 -0.04574 -0.01908 -0.01171 201 2PX 0.24094 -0.03831 0.03847 0.04400 -0.05363 202 2PY -0.01511 0.03179 -0.10033 -0.07413 0.01003 203 2PZ 0.08026 0.05757 -0.11095 -0.07597 0.00514 204 3S 0.02471 0.25155 -0.66775 -0.49742 0.11832 205 3PX 0.38984 -0.10193 0.08179 0.07925 -0.05999 206 3PY -0.03757 0.05422 -0.22585 -0.21546 0.06325 207 3PZ 0.14441 0.12920 -0.20126 -0.17323 0.01200 208 4XX -0.00304 -0.00017 -0.00164 -0.00036 -0.00016 209 4YY -0.00298 0.00347 0.00161 0.00331 -0.00274 210 4ZZ 0.00691 -0.00612 0.00279 0.00137 -0.00663 211 4XY 0.01080 0.00566 -0.00433 -0.00241 0.00480 212 4XZ 0.00406 -0.00114 -0.00318 0.00002 0.00017 213 4YZ 0.00463 -0.01248 0.01354 0.00535 -0.00019 214 23 H 1S -0.00060 -0.04248 0.04775 0.01993 -0.01161 215 2S 0.04422 -0.44341 0.78472 0.59052 -0.13445 56 57 58 59 60 V V V V V Eigenvalues -- 0.13580 0.15097 0.15135 0.15962 0.17377 1 1 C 1S -0.02551 -0.00078 -0.00772 0.03063 -0.06904 2 2S 0.06938 -0.00858 0.03366 -0.08227 0.14412 3 2PX 0.03270 -0.01910 -0.05928 -0.07895 -0.15357 4 2PY -0.03281 -0.00090 -0.01364 0.02020 -0.09908 5 2PZ 0.04049 -0.01553 -0.01772 -0.13022 0.04015 6 3S -0.07917 0.03186 -0.05153 -0.10622 0.57757 7 3PX -0.18859 -0.03171 -0.26758 0.16639 -0.72745 8 3PY -0.27774 -0.03327 -0.14341 0.18508 -0.55862 9 3PZ 0.34495 0.04326 0.03179 -0.50685 0.55322 10 4XX -0.00455 -0.00182 0.00715 0.00415 0.00286 11 4YY -0.00463 -0.00159 0.00112 0.00718 -0.00701 12 4ZZ 0.00284 -0.00100 -0.00445 -0.00880 -0.00849 13 4XY -0.00015 -0.00232 0.00077 0.00075 0.00650 14 4XZ 0.00600 0.00228 -0.00218 -0.00263 0.00539 15 4YZ -0.00077 -0.00134 0.00056 0.00567 -0.00309 16 2 C 1S 0.01784 -0.00524 -0.00255 -0.01031 0.01786 17 2S -0.05910 0.00349 0.01321 0.03491 -0.06620 18 2PX -0.09375 0.01891 0.11710 0.12727 0.13064 19 2PY -0.03049 0.00198 -0.01362 -0.00989 -0.09501 20 2PZ -0.06199 -0.00192 0.09277 0.14247 0.03530 21 3S 0.08022 0.10850 -0.01642 -0.05950 0.05328 22 3PX -0.03152 0.06075 0.17678 0.17282 0.16538 23 3PY 0.45293 0.11262 0.20724 -0.40222 0.21635 24 3PZ -0.00105 -0.01469 0.10048 0.11173 0.12158 25 4XX 0.00322 0.00075 -0.00102 -0.00065 0.00476 26 4YY -0.00478 -0.00395 -0.00455 -0.00099 -0.01115 27 4ZZ 0.00200 0.00042 0.00462 0.00055 0.00775 28 4XY -0.00199 -0.00280 -0.00140 -0.00195 -0.00191 29 4XZ -0.00878 -0.00154 -0.00183 0.00505 -0.01246 30 4YZ 0.00087 -0.00126 -0.00018 -0.00203 -0.00137 31 3 C 1S -0.06528 0.00028 0.01709 0.02080 0.00737 32 2S 0.12405 0.00856 -0.02170 -0.06275 0.01405 33 2PX 0.12347 -0.00279 -0.11555 -0.12590 -0.14401 34 2PY -0.05308 -0.01605 0.01395 0.01854 -0.05386 35 2PZ -0.02941 -0.02143 -0.06867 -0.10400 -0.06955 36 3S 0.55355 -0.05119 -0.28789 0.15952 -0.43283 37 3PX 0.45184 0.05114 -0.17875 -0.33891 -0.17308 38 3PY -0.29427 0.03855 0.01449 0.27611 -0.36219 39 3PZ -0.54243 -0.12045 -0.12256 -0.07287 -0.23661 40 4XX -0.00370 0.00312 -0.00398 -0.00511 -0.00643 41 4YY -0.01099 -0.00121 0.00249 0.00565 0.00765 42 4ZZ -0.00160 0.00074 0.00582 0.00705 -0.00001 43 4XY -0.00253 -0.00267 0.00446 0.00292 0.00687 44 4XZ 0.00300 0.00127 0.00083 0.00000 0.00917 45 4YZ 0.00453 -0.00559 0.00026 0.00138 0.00012 46 4 C 1S 0.06543 0.00038 -0.01709 -0.02081 -0.00737 47 2S -0.12361 0.00845 0.02177 0.06277 -0.01405 48 2PX -0.12382 -0.00360 0.11550 0.12584 0.14420 49 2PY -0.05446 0.01600 0.01414 0.01863 -0.05375 50 2PZ 0.03338 -0.02197 0.06858 0.10408 0.06934 51 3S -0.56071 -0.05296 0.28745 -0.15952 0.43272 52 3PX -0.45666 0.05005 0.17898 0.33857 0.17384 53 3PY -0.29776 -0.03841 0.01429 0.27631 -0.36225 54 3PZ 0.55142 -0.12162 0.12180 0.07313 0.23582 55 4XX 0.00353 0.00308 0.00399 0.00510 0.00643 56 4YY 0.01117 -0.00119 -0.00250 -0.00565 -0.00765 57 4ZZ 0.00170 0.00079 -0.00581 -0.00704 0.00000 58 4XY -0.00222 0.00264 0.00449 0.00294 0.00687 59 4XZ -0.00287 0.00127 -0.00081 0.00001 -0.00917 60 4YZ 0.00406 0.00558 0.00029 0.00136 0.00015 61 5 C 1S -0.01707 -0.00524 0.00253 0.01034 -0.01796 62 2S 0.05758 0.00355 -0.01322 -0.03497 0.06631 63 2PX 0.09066 0.01976 -0.11699 -0.12729 -0.13050 64 2PY -0.02969 -0.00183 -0.01369 -0.00994 -0.09521 65 2PZ 0.06188 -0.00125 -0.09276 -0.14243 -0.03536 66 3S -0.08913 0.10836 0.01692 0.05900 -0.05163 67 3PX 0.02804 0.06212 -0.17649 -0.17253 -0.16537 68 3PY 0.45710 -0.11432 0.20624 -0.40229 0.21595 69 3PZ -0.00097 -0.01391 -0.10058 -0.11175 -0.12164 70 4XX -0.00307 0.00075 0.00102 0.00065 -0.00475 71 4YY 0.00499 -0.00398 0.00453 0.00099 0.01112 72 4ZZ -0.00213 0.00046 -0.00462 -0.00055 -0.00775 73 4XY -0.00211 0.00281 -0.00138 -0.00196 -0.00192 74 4XZ 0.00879 -0.00156 0.00182 -0.00505 0.01247 75 4YZ 0.00090 0.00126 -0.00017 -0.00203 -0.00136 76 6 C 1S 0.02516 -0.00086 0.00771 -0.03065 0.06907 77 2S -0.06911 -0.00828 -0.03372 0.08228 -0.14416 78 2PX -0.03295 -0.01955 0.05914 0.07892 0.15362 79 2PY -0.03191 0.00102 -0.01356 0.02029 -0.09904 80 2PZ -0.03945 -0.01564 0.01761 0.13023 -0.04010 81 3S 0.08698 0.03152 0.05194 0.10655 -0.57820 82 3PX 0.18918 -0.03391 0.26742 -0.16651 0.72768 83 3PY -0.27474 0.03450 -0.14289 0.18509 -0.55838 84 3PZ -0.34417 0.04371 -0.03145 0.50684 -0.55307 85 4XX 0.00441 -0.00177 -0.00716 -0.00415 -0.00286 86 4YY 0.00464 -0.00158 -0.00113 -0.00718 0.00702 87 4ZZ -0.00279 -0.00103 0.00444 0.00879 0.00850 88 4XY -0.00023 0.00231 0.00078 0.00075 0.00650 89 4XZ -0.00597 0.00227 0.00219 0.00263 -0.00538 90 4YZ -0.00087 0.00134 0.00057 0.00568 -0.00310 91 7 H 1S -0.02784 -0.01209 0.00785 0.01186 -0.05846 92 2S -0.46678 -0.05794 -0.23714 0.58404 -1.46936 93 8 H 1S -0.02551 -0.01750 0.01815 0.03015 -0.01990 94 2S -1.01754 -0.15861 0.10598 0.14722 -0.18301 95 9 H 1S 0.02706 -0.01737 -0.01825 -0.03011 0.01975 96 2S 1.03551 -0.15840 -0.10685 -0.14684 0.18195 97 10 H 1S 0.02755 -0.01206 -0.00793 -0.01186 0.05844 98 2S 0.46030 -0.06010 0.23655 -0.58426 1.46956 99 11 O 1S -0.01531 -0.00334 -0.00791 0.01169 -0.00153 100 2S 0.01628 0.01078 0.00125 -0.00268 -0.01662 101 2PX 0.06407 0.01637 -0.03163 -0.03816 -0.08692 102 2PY -0.00554 -0.01063 0.00250 -0.00655 -0.01417 103 2PZ 0.01248 -0.01176 -0.02429 -0.07823 -0.00315 104 3S 0.30386 0.05073 0.18752 -0.26329 0.13667 105 3PX 0.06441 -0.00602 -0.05631 -0.08780 -0.07342 106 3PY 0.08547 0.01575 0.07611 -0.06459 0.02634 107 3PZ 0.02863 0.00052 -0.03905 -0.09045 -0.02885 108 4XX -0.00935 -0.00096 -0.00651 0.00841 -0.00399 109 4YY 0.00334 0.00503 0.00025 0.00238 -0.00419 110 4ZZ -0.00769 0.00183 -0.00520 0.01092 -0.00651 111 4XY -0.00005 0.00157 0.00463 0.00291 0.00417 112 4XZ 0.00060 0.00093 0.00024 0.00081 0.00071 113 4YZ -0.00140 0.00062 0.00395 0.00347 0.00200 114 12 O 1S 0.01529 -0.00341 0.00788 -0.01170 0.00155 115 2S -0.01615 0.01079 -0.00114 0.00270 0.01658 116 2PX -0.06305 0.01613 0.03179 0.03819 0.08686 117 2PY -0.00616 0.01063 0.00258 -0.00656 -0.01401 118 2PZ -0.01179 -0.01194 0.02422 0.07822 0.00313 119 3S -0.30474 0.05226 -0.18704 0.26339 -0.13691 120 3PX -0.06288 -0.00641 0.05624 0.08786 0.07333 121 3PY 0.08530 -0.01636 0.07597 -0.06460 0.02657 122 3PZ -0.02806 0.00023 0.03905 0.09044 0.02886 123 4XX 0.00938 -0.00101 0.00650 -0.00842 0.00399 124 4YY -0.00340 0.00503 -0.00021 -0.00238 0.00420 125 4ZZ 0.00771 0.00179 0.00521 -0.01092 0.00650 126 4XY 0.00006 -0.00161 0.00463 0.00291 0.00417 127 4XZ -0.00063 0.00093 -0.00024 -0.00081 -0.00070 128 4YZ -0.00142 -0.00065 0.00395 0.00346 0.00200 129 13 C 1S -0.00133 0.08652 0.00031 0.00000 -0.00002 130 2S 0.00123 -0.13001 -0.00047 0.00000 -0.00001 131 2PX 0.00573 0.10052 0.00047 0.00006 0.00004 132 2PY 0.06108 0.00016 -0.03991 0.02093 -0.02275 133 2PZ 0.00104 0.03036 0.00009 -0.00004 0.00031 134 3S 0.02472 -1.04492 -0.00369 0.00003 0.00047 135 3PX 0.01575 0.18786 0.00098 0.00016 -0.00003 136 3PY 0.33076 -0.00021 0.02355 0.26037 0.03155 137 3PZ 0.00618 0.23101 0.00080 -0.00010 0.00120 138 4XX -0.00020 -0.00367 -0.00001 -0.00001 0.00000 139 4YY -0.00008 0.01881 0.00007 0.00001 -0.00001 140 4ZZ -0.00006 0.00606 0.00002 0.00000 0.00001 141 4XY -0.00520 0.00000 -0.00230 0.01055 0.00601 142 4XZ -0.00011 -0.00174 -0.00001 0.00000 0.00001 143 4YZ -0.01205 -0.00004 0.01293 -0.00985 -0.00301 144 14 H 1S -0.00108 -0.01988 -0.00009 -0.00002 0.00001 145 2S -0.03076 0.07530 -0.00011 -0.00026 -0.00051 146 15 H 1S -0.00004 0.03825 0.00013 -0.00001 0.00009 147 2S -0.00105 0.77190 0.00272 -0.00016 0.00135 148 16 C 1S -0.04199 -0.08056 -0.01393 -0.06186 -0.00673 149 2S 0.04409 0.11991 0.00662 0.11324 0.01600 150 2PX 0.13854 0.04133 -0.03208 -0.01548 -0.06171 151 2PY -0.12350 -0.08942 -0.16870 -0.06660 0.08614 152 2PZ 0.01401 -0.05112 -0.09072 -0.05432 -0.02417 153 3S 0.88018 1.16636 0.59999 0.73782 -0.00550 154 3PX 0.28909 0.10082 -0.01355 -0.06203 -0.17007 155 3PY -0.33086 -0.41859 -0.32121 -0.45386 0.25961 156 3PZ 0.13814 -0.19137 -0.18390 -0.12785 0.05509 157 4XX 0.00474 -0.00041 -0.00585 -0.00841 -0.00507 158 4YY 0.00126 -0.01020 -0.00024 0.00477 0.00290 159 4ZZ -0.01046 -0.00695 0.00561 -0.01000 -0.00104 160 4XY -0.00660 -0.00373 0.00156 0.00602 0.00460 161 4XZ 0.00104 0.00236 -0.00764 0.00096 -0.00228 162 4YZ -0.00398 0.01267 0.00013 -0.00462 0.00222 163 17 H 1S -0.00359 -0.05235 -0.00597 -0.02414 0.01479 164 2S -0.78142 -1.10365 -0.73088 -0.86214 0.33660 165 18 C 1S 0.02489 0.04097 -0.05986 0.06095 0.01614 166 2S -0.04742 -0.06489 0.10577 -0.11802 -0.01851 167 2PX -0.12979 0.02480 -0.01395 0.08478 0.06314 168 2PY 0.00620 0.09241 -0.09370 0.03495 0.03498 169 2PZ 0.00431 -0.07846 0.14704 -0.02603 -0.02735 170 3S -0.22053 -0.71063 0.86205 -0.59937 -0.39126 171 3PX -0.28050 0.06528 -0.21090 0.26260 0.13633 172 3PY 0.22436 0.42656 -0.27649 0.29257 0.02951 173 3PZ 0.06798 -0.19964 0.67805 -0.38344 -0.03475 174 4XX 0.00302 0.00319 -0.00186 -0.00194 -0.00139 175 4YY 0.00719 -0.00435 0.00060 0.01078 -0.00246 176 4ZZ -0.00412 0.00600 -0.00638 0.00363 0.00348 177 4XY 0.00353 -0.00015 0.00102 -0.00293 -0.00133 178 4XZ -0.00503 -0.00520 0.00380 0.00052 0.00189 179 4YZ 0.00121 0.00200 -0.00357 0.00327 -0.00082 180 19 H 1S 0.02887 0.03217 -0.03897 0.03341 0.01364 181 2S 0.11518 0.84778 -1.27247 0.89412 0.31186 182 20 C 1S 0.04174 -0.08070 0.01332 0.06184 0.00676 183 2S -0.04285 0.11999 -0.00572 -0.11320 -0.01602 184 2PX -0.13915 0.04119 0.03250 0.01553 0.06154 185 2PY -0.12286 0.09080 -0.16804 -0.06660 0.08622 186 2PZ -0.01388 -0.05176 0.09028 0.05427 0.02434 187 3S -0.87984 1.17155 -0.59118 -0.73748 0.00487 188 3PX -0.29781 0.10087 0.01439 0.06228 0.16927 189 3PY -0.32735 0.42134 -0.31821 -0.45393 0.26034 190 3PZ -0.14122 -0.19248 0.18222 0.12755 -0.05453 191 4XX -0.00464 -0.00046 0.00585 0.00841 0.00507 192 4YY -0.00127 -0.01019 0.00016 -0.00476 -0.00288 193 4ZZ 0.01042 -0.00692 -0.00566 0.01000 0.00102 194 4XY -0.00688 0.00373 0.00159 0.00604 0.00458 195 4XZ -0.00116 0.00231 0.00765 -0.00096 0.00230 196 4YZ -0.00424 -0.01266 0.00004 -0.00463 0.00223 197 21 H 1S 0.00356 -0.05239 0.00558 0.02412 -0.01471 198 2S 0.77712 -1.10971 0.72259 0.86193 -0.33658 199 22 C 1S -0.02460 0.04055 0.06016 -0.06094 -0.01612 200 2S 0.04778 -0.06414 -0.10624 0.11801 0.01847 201 2PX 0.13170 0.02466 0.01423 -0.08476 -0.06323 202 2PY 0.00586 -0.09169 -0.09434 0.03488 0.03491 203 2PZ -0.00455 -0.07740 -0.14766 0.02602 0.02755 204 3S 0.21613 -0.70453 -0.86726 0.59928 0.39108 205 3PX 0.28268 0.06369 0.21160 -0.26271 -0.13647 206 3PY 0.22222 -0.42460 -0.27939 0.29229 0.02935 207 3PZ -0.06857 -0.19471 -0.67960 0.38343 0.03516 208 4XX -0.00302 0.00318 0.00188 0.00194 0.00139 209 4YY -0.00711 -0.00433 -0.00063 -0.01078 0.00246 210 4ZZ 0.00436 0.00595 0.00642 -0.00363 -0.00348 211 4XY 0.00337 0.00015 0.00103 -0.00292 -0.00134 212 4XZ 0.00503 -0.00517 -0.00383 -0.00052 -0.00190 213 4YZ 0.00122 -0.00198 -0.00358 0.00327 -0.00084 214 23 H 1S -0.02846 0.03190 0.03922 -0.03339 -0.01368 215 2S -0.10998 0.83853 1.27878 -0.89391 -0.31231 61 62 63 64 65 V V V V V Eigenvalues -- 0.17486 0.19699 0.19869 0.20670 0.21913 1 1 C 1S 0.01870 0.01416 0.04064 0.02842 -0.03021 2 2S -0.02046 -0.01930 -0.07479 -0.04591 0.02122 3 2PX 0.00235 -0.01923 -0.10561 0.03098 0.03035 4 2PY 0.04417 0.00943 0.04903 -0.02652 -0.04197 5 2PZ 0.03215 -0.06878 0.11102 -0.08147 -0.06303 6 3S -0.36711 -0.28683 -0.67138 -0.49559 0.64614 7 3PX -0.07441 -0.00262 -0.31284 0.21441 0.24229 8 3PY 0.16612 0.00656 0.32868 -0.03547 -0.27181 9 3PZ 0.09765 -0.18662 0.39087 -0.37352 -0.25872 10 4XX -0.00097 0.00490 0.00431 -0.00171 -0.00570 11 4YY -0.00296 0.00380 -0.01260 0.01424 0.00372 12 4ZZ 0.00549 -0.00454 0.01065 -0.00732 -0.00758 13 4XY -0.00512 -0.00087 -0.01734 -0.00408 0.01273 14 4XZ -0.00085 -0.00108 -0.01038 0.00332 0.00822 15 4YZ 0.00709 0.00358 0.01785 0.00447 -0.01256 16 2 C 1S -0.05321 0.00197 -0.08213 0.00612 0.05826 17 2S 0.06979 0.01936 0.11824 -0.02139 -0.09932 18 2PX 0.02653 0.06045 -0.03838 0.00367 0.01232 19 2PY 0.06561 -0.00447 0.14428 -0.05468 -0.08912 20 2PZ -0.04210 0.09506 0.04162 0.10296 -0.06145 21 3S 0.94092 -0.20584 1.39941 -0.02882 -0.90704 22 3PX 0.07229 0.07075 -0.08473 0.07735 0.05315 23 3PY 0.13505 0.13380 0.34123 -0.13647 -0.40874 24 3PZ -0.06062 0.15508 0.11267 0.15533 -0.19616 25 4XX 0.00445 -0.00291 -0.00324 -0.00093 0.00385 26 4YY -0.01240 0.00115 -0.00330 -0.00686 0.00909 27 4ZZ 0.00002 0.00156 -0.00752 0.00978 -0.00091 28 4XY -0.00526 0.00180 0.00098 -0.00128 0.00288 29 4XZ 0.00482 -0.00202 0.01416 -0.00432 -0.00506 30 4YZ -0.00065 -0.00023 -0.00260 -0.00343 0.00078 31 3 C 1S 0.00917 -0.00877 0.04940 -0.05265 -0.00977 32 2S -0.00277 0.03108 -0.08308 0.07292 0.00488 33 2PX 0.08522 -0.05148 0.07418 -0.04579 -0.06118 34 2PY 0.00531 0.01102 0.08093 -0.05390 -0.01671 35 2PZ -0.10688 -0.05837 0.01765 -0.22225 0.09951 36 3S -0.16783 -0.01604 -0.80455 0.84831 0.11583 37 3PX 0.30158 -0.12476 0.20447 0.12547 -0.20097 38 3PY 0.11425 -0.18947 0.33403 -0.33040 0.00475 39 3PZ -0.37645 -0.17194 -0.05564 -0.77166 0.29345 40 4XX 0.00692 -0.00251 0.00869 -0.00664 -0.00510 41 4YY -0.00179 -0.00627 -0.01088 -0.00814 0.00360 42 4ZZ -0.00208 0.00757 0.00821 0.00213 -0.00163 43 4XY 0.01066 0.00232 0.00899 0.00094 -0.00207 44 4XZ -0.00370 -0.00066 -0.01061 0.00436 0.00596 45 4YZ -0.02256 0.00263 -0.00418 0.00847 0.01121 46 4 C 1S 0.00918 0.00883 0.04936 0.05265 -0.00980 47 2S -0.00273 -0.03119 -0.08300 -0.07295 0.00492 48 2PX 0.08504 0.05156 0.07418 0.04585 -0.06122 49 2PY -0.00514 0.01095 -0.08090 -0.05389 0.01668 50 2PZ -0.10694 0.05843 0.01750 0.22230 0.09943 51 3S -0.16875 0.01516 -0.80415 -0.84832 0.11638 52 3PX 0.30157 0.12509 0.20470 -0.12520 -0.20091 53 3PY -0.11325 -0.18978 -0.33358 -0.33059 -0.00489 54 3PZ -0.37680 0.17196 -0.05606 0.77173 0.29315 55 4XX 0.00692 0.00252 0.00870 0.00664 -0.00511 56 4YY -0.00179 0.00626 -0.01091 0.00814 0.00360 57 4ZZ -0.00208 -0.00756 0.00822 -0.00213 -0.00163 58 4XY -0.01066 0.00231 -0.00897 0.00094 0.00207 59 4XZ -0.00370 0.00065 -0.01061 -0.00436 0.00597 60 4YZ 0.02256 0.00263 0.00416 0.00846 -0.01121 61 5 C 1S -0.05318 -0.00206 -0.08213 -0.00613 0.05827 62 2S 0.06965 -0.01924 0.11826 0.02138 -0.09933 63 2PX 0.02674 -0.06052 -0.03821 -0.00365 0.01225 64 2PY -0.06543 -0.00468 -0.14429 -0.05469 0.08916 65 2PZ -0.04214 -0.09502 0.04178 -0.10294 -0.06140 66 3S 0.94120 0.20742 1.39913 0.02902 -0.90709 67 3PX 0.07259 -0.07099 -0.08438 -0.07733 0.05290 68 3PY -0.13550 0.13339 -0.34142 -0.13653 0.40886 69 3PZ -0.06047 -0.15493 0.11291 -0.15531 -0.19613 70 4XX 0.00446 0.00290 -0.00325 0.00093 0.00385 71 4YY -0.01242 -0.00115 -0.00330 0.00686 0.00909 72 4ZZ 0.00003 -0.00158 -0.00752 -0.00979 -0.00090 73 4XY 0.00528 0.00180 -0.00098 -0.00128 -0.00289 74 4XZ 0.00480 0.00204 0.01416 0.00433 -0.00507 75 4YZ 0.00065 -0.00023 0.00261 -0.00343 -0.00078 76 6 C 1S 0.01856 -0.01411 0.04066 -0.02842 -0.03020 77 2S -0.02017 0.01920 -0.07484 0.04588 0.02121 78 2PX 0.00213 0.01908 -0.10559 -0.03099 0.03033 79 2PY -0.04399 0.00939 -0.04912 -0.02655 0.04201 80 2PZ 0.03229 0.06892 0.11090 0.08148 -0.06305 81 3S -0.36594 0.28610 -0.67190 0.49549 0.64597 82 3PX -0.07568 0.00225 -0.31253 -0.21443 0.24220 83 3PY -0.16515 0.00617 -0.32895 -0.03570 0.27205 84 3PZ 0.09891 0.18710 0.39048 0.37358 -0.25885 85 4XX -0.00097 -0.00489 0.00430 0.00172 -0.00569 86 4YY -0.00298 -0.00382 -0.01257 -0.01425 0.00371 87 4ZZ 0.00548 0.00455 0.01064 0.00732 -0.00758 88 4XY 0.00511 -0.00085 0.01736 -0.00407 -0.01274 89 4XZ -0.00084 0.00106 -0.01037 -0.00332 0.00821 90 4YZ -0.00709 0.00356 -0.01786 0.00447 0.01256 91 7 H 1S -0.00832 0.00934 -0.03371 -0.00214 0.01653 92 2S 0.13376 0.26990 -0.10329 0.52970 -0.03858 93 8 H 1S -0.07501 0.00941 0.03336 -0.03975 0.02179 94 2S -0.48666 -0.19151 0.49424 -1.31422 0.35484 95 9 H 1S -0.07507 -0.00936 0.03335 0.03975 0.02178 96 2S -0.48700 0.19221 0.49353 1.31437 0.35428 97 10 H 1S -0.00843 -0.00939 -0.03369 0.00213 0.01653 98 2S 0.13083 -0.27009 -0.10272 -0.52972 -0.03842 99 11 O 1S 0.01219 -0.00750 0.00845 0.00839 0.00022 100 2S -0.02479 0.00276 -0.01271 -0.02186 0.00522 101 2PX -0.02659 -0.00413 0.00369 -0.01109 -0.00538 102 2PY -0.05751 0.01765 -0.04851 -0.01740 0.03935 103 2PZ -0.00329 -0.03209 -0.00166 -0.08464 0.01797 104 3S -0.15472 0.17216 -0.11732 -0.09607 -0.06568 105 3PX -0.02821 -0.02081 0.02392 -0.03028 -0.01473 106 3PY -0.10885 0.07417 -0.10136 -0.04551 0.02061 107 3PZ 0.01433 -0.04724 -0.02514 -0.07735 0.03786 108 4XX 0.00470 -0.00600 0.00259 0.00170 0.00338 109 4YY 0.00046 -0.00151 0.00094 -0.00317 -0.00437 110 4ZZ -0.00002 -0.00450 0.00305 0.00013 0.00279 111 4XY -0.00021 0.00246 -0.00181 -0.00031 -0.00072 112 4XZ 0.00425 -0.00156 0.00632 0.00058 -0.00360 113 4YZ -0.00196 0.00321 -0.00068 0.00227 -0.00057 114 12 O 1S 0.01219 0.00751 0.00844 -0.00838 0.00022 115 2S -0.02482 -0.00276 -0.01271 0.02185 0.00521 116 2PX -0.02677 0.00413 0.00366 0.01109 -0.00535 117 2PY 0.05752 0.01770 0.04849 -0.01740 -0.03935 118 2PZ -0.00326 0.03211 -0.00172 0.08464 0.01794 119 3S -0.15446 -0.17233 -0.11712 0.09601 -0.06573 120 3PX -0.02838 0.02080 0.02381 0.03032 -0.01472 121 3PY 0.10879 0.07431 0.10129 -0.04546 -0.02061 122 3PZ 0.01433 0.04721 -0.02522 0.07734 0.03783 123 4XX 0.00469 0.00600 0.00258 -0.00170 0.00338 124 4YY 0.00045 0.00151 0.00094 0.00316 -0.00436 125 4ZZ -0.00003 0.00451 0.00305 -0.00013 0.00279 126 4XY 0.00021 0.00247 0.00181 -0.00031 0.00073 127 4XZ 0.00425 0.00156 0.00632 -0.00058 -0.00360 128 4YZ 0.00196 0.00321 0.00068 0.00227 0.00056 129 13 C 1S -0.02507 -0.00005 -0.06705 -0.00002 -0.06408 130 2S -0.00371 0.00003 0.03924 0.00002 0.05814 131 2PX 0.05433 -0.00018 -0.05311 -0.00001 -0.19204 132 2PY 0.00004 0.27242 -0.00016 -0.17763 -0.00006 133 2PZ 0.32882 -0.00012 -0.14687 -0.00004 0.02314 134 3S 0.65652 0.00111 1.60044 0.00047 1.41658 135 3PX 0.04075 -0.00102 -0.61937 -0.00023 -0.97605 136 3PY 0.00008 1.22588 -0.00099 -0.47797 -0.00046 137 3PZ 1.30468 -0.00013 -0.15772 -0.00005 0.35766 138 4XX 0.00265 -0.00001 0.00383 0.00000 -0.00118 139 4YY -0.01785 0.00001 -0.00538 -0.00001 -0.02308 140 4ZZ 0.01100 -0.00001 -0.00893 0.00001 0.01585 141 4XY 0.00000 0.01743 -0.00001 -0.00254 0.00001 142 4XZ 0.00563 0.00002 0.01063 0.00000 0.00550 143 4YZ 0.00000 -0.02517 0.00002 0.01059 0.00000 144 14 H 1S 0.00918 0.00004 0.05721 0.00002 0.04388 145 2S -0.65834 0.00035 0.20102 0.00026 0.51050 146 15 H 1S 0.08486 -0.00003 -0.04762 0.00002 0.09106 147 2S 1.39655 -0.00087 -1.01209 -0.00021 -0.09130 148 16 C 1S 0.01464 -0.04842 0.00871 0.03572 -0.00941 149 2S -0.00240 0.05919 -0.00116 -0.06468 0.02198 150 2PX -0.07672 0.10701 0.00355 -0.11657 -0.04801 151 2PY -0.02368 0.21259 -0.09559 0.04572 -0.10925 152 2PZ 0.07431 -0.08155 0.04581 -0.02235 0.19152 153 3S -0.39446 1.02088 -0.26371 -0.51207 0.18865 154 3PX -0.39846 0.29806 -0.10306 -0.29547 -0.30591 155 3PY -0.31807 0.81448 -0.59733 0.30693 -0.60632 156 3PZ 0.24436 -0.11182 0.28602 0.28652 0.95185 157 4XX 0.00181 -0.00732 -0.00259 -0.00126 -0.00246 158 4YY 0.01113 0.00888 -0.00170 -0.00061 0.01191 159 4ZZ -0.01199 -0.01039 0.00377 0.00706 -0.01222 160 4XY 0.01388 -0.00733 -0.00377 0.00658 0.00521 161 4XZ 0.00685 0.00204 0.00073 -0.00690 0.01059 162 4YZ -0.00354 0.01932 -0.00643 -0.00546 -0.01629 163 17 H 1S 0.03256 0.09214 0.00214 0.01010 0.01879 164 2S 0.05936 0.53517 -0.37935 0.63110 -0.34751 165 18 C 1S 0.00845 -0.04453 0.01134 -0.00427 0.04189 166 2S -0.01078 0.08841 -0.00816 0.03241 -0.07346 167 2PX -0.03733 -0.07140 0.02363 0.05881 -0.03982 168 2PY 0.00931 0.14015 0.08074 -0.04477 0.07881 169 2PZ 0.10475 0.04169 -0.04694 0.02602 0.09334 170 3S -0.03334 0.58258 -0.34519 -0.46298 -0.96734 171 3PX -0.05148 -0.29831 0.06172 0.02787 -0.10378 172 3PY 0.00472 0.50035 0.24866 -0.47610 0.45054 173 3PZ 0.22506 0.49720 -0.17829 0.25109 0.38940 174 4XX 0.00220 0.00472 0.00040 -0.00075 0.00250 175 4YY 0.00123 -0.02698 0.00674 -0.00041 -0.00267 176 4ZZ 0.00348 0.01354 -0.00647 -0.00517 0.00116 177 4XY 0.00540 0.00342 -0.00070 -0.00058 -0.00828 178 4XZ -0.00476 -0.00910 0.00195 0.00889 -0.00275 179 4YZ 0.01011 -0.01044 0.00619 -0.00206 0.02332 180 19 H 1S -0.02739 0.04072 -0.02451 -0.03374 -0.06705 181 2S -0.29767 -0.30231 0.43848 -0.33660 0.16183 182 20 C 1S 0.01467 0.04844 0.00866 -0.03570 -0.00940 183 2S -0.00242 -0.05920 -0.00111 0.06464 0.02197 184 2PX -0.07688 -0.10708 0.00361 0.11656 -0.04810 185 2PY 0.02344 0.21267 0.09527 0.04585 0.10911 186 2PZ 0.07432 0.08169 0.04573 0.02244 0.19150 187 3S -0.39524 -1.02139 -0.26246 0.51182 0.18865 188 3PX -0.39905 -0.29854 -0.10304 0.29530 -0.30624 189 3PY 0.31720 0.81520 0.59596 0.30758 0.60566 190 3PZ 0.24461 0.11245 0.28614 -0.28596 0.95198 191 4XX 0.00182 0.00733 -0.00260 0.00125 -0.00245 192 4YY 0.01111 -0.00890 -0.00169 0.00063 0.01190 193 4ZZ -0.01198 0.01041 0.00376 -0.00707 -0.01221 194 4XY -0.01390 -0.00731 0.00378 0.00658 -0.00522 195 4XZ 0.00684 -0.00205 0.00073 0.00691 0.01058 196 4YZ 0.00354 0.01932 0.00640 -0.00544 0.01630 197 21 H 1S 0.03256 -0.09215 0.00227 -0.01006 0.01882 198 2S 0.06047 -0.53572 -0.37836 -0.63123 -0.34716 199 22 C 1S 0.00848 0.04455 0.01128 0.00428 0.04189 200 2S -0.01081 -0.08844 -0.00802 -0.03244 -0.07344 201 2PX -0.03721 0.07135 0.02359 -0.05878 -0.03973 202 2PY -0.00939 0.14007 -0.08090 -0.04484 -0.07886 203 2PZ 0.10466 -0.04176 -0.04689 -0.02600 0.09332 204 3S -0.03412 -0.58307 -0.34454 0.46263 -0.96745 205 3PX -0.05116 0.29808 0.06141 -0.02764 -0.10345 206 3PY -0.00466 0.50021 -0.24914 -0.47628 -0.45060 207 3PZ 0.22482 -0.49751 -0.17754 -0.25113 0.38937 208 4XX 0.00221 -0.00472 0.00040 0.00075 0.00249 209 4YY 0.00122 0.02699 0.00671 0.00041 -0.00266 210 4ZZ 0.00348 -0.01355 -0.00645 0.00516 0.00116 211 4XY -0.00540 0.00340 0.00069 -0.00057 0.00829 212 4XZ -0.00475 0.00911 0.00194 -0.00889 -0.00274 213 4YZ -0.01011 -0.01043 -0.00617 -0.00207 -0.02332 214 23 H 1S -0.02738 -0.04076 -0.02446 0.03370 -0.06705 215 2S -0.29706 0.30310 0.43791 0.33674 0.16181 66 67 68 69 70 V V V V V Eigenvalues -- 0.25274 0.26947 0.29518 0.31834 0.33571 1 1 C 1S -0.01297 0.02519 -0.01495 0.03098 -0.01682 2 2S 0.07115 0.00108 0.04974 -0.01401 0.07227 3 2PX -0.06795 -0.02345 0.00342 -0.02490 0.07972 4 2PY 0.11381 -0.02072 -0.12877 0.03391 -0.02477 5 2PZ 0.00261 0.01206 -0.02322 0.02218 -0.12904 6 3S -0.12870 -0.70182 0.32623 -1.09226 -0.34664 7 3PX -0.64416 -0.31973 -0.23737 -0.19797 0.16037 8 3PY 0.34066 0.25269 -0.41967 0.59033 -0.42583 9 3PZ 0.52298 0.36347 0.19723 0.29144 -0.22054 10 4XX 0.01453 0.00705 0.01098 -0.00145 0.00352 11 4YY -0.01973 -0.00307 -0.00552 0.00260 -0.00220 12 4ZZ 0.00892 0.00958 0.00914 0.00471 -0.00088 13 4XY 0.00329 -0.00919 0.02002 -0.01683 -0.00188 14 4XZ -0.01283 -0.01387 -0.01554 -0.00385 0.00513 15 4YZ -0.00084 0.00926 -0.02311 0.02471 0.00528 16 2 C 1S -0.00820 -0.00968 0.02978 0.02474 0.03584 17 2S 0.01788 0.05929 -0.00263 -0.05518 0.01054 18 2PX 0.04405 -0.08559 0.08275 -0.31829 0.05721 19 2PY 0.13843 0.07933 0.11029 -0.00899 -0.00559 20 2PZ 0.08078 0.17333 -0.09225 0.26128 -0.02022 21 3S 0.49501 -0.04043 -0.84288 -0.39779 -1.05657 22 3PX 0.24226 -0.23557 0.46629 -0.94426 0.06480 23 3PY 1.30256 0.88442 1.64218 0.02399 0.52872 24 3PZ 0.22707 0.46137 -0.10636 0.95441 -0.00372 25 4XX -0.01599 -0.00170 -0.00907 0.00182 0.00411 26 4YY 0.02280 -0.00056 0.00541 0.00198 -0.00476 27 4ZZ -0.01462 -0.00171 -0.00626 -0.00258 0.00903 28 4XY 0.00728 0.00066 -0.00023 0.00600 -0.00791 29 4XZ 0.00308 -0.00788 -0.01386 -0.00580 -0.02222 30 4YZ -0.00004 -0.00010 0.00131 -0.00517 0.00633 31 3 C 1S -0.04403 -0.00968 0.00556 -0.05762 0.00988 32 2S 0.09394 0.01515 0.00429 0.04576 0.01900 33 2PX -0.05085 -0.00615 -0.05772 -0.09824 -0.08085 34 2PY 0.19627 -0.06451 -0.08096 -0.08904 -0.12897 35 2PZ -0.05462 -0.01865 -0.03602 0.03780 -0.01784 36 3S 0.42440 0.26987 -0.33123 1.52691 -0.68362 37 3PX 0.43185 0.03373 0.43020 -0.35700 0.04637 38 3PY 0.73274 -0.30971 -0.06545 -0.75775 -0.93057 39 3PZ -0.54575 -0.14253 -0.35826 0.30886 -0.04712 40 4XX 0.00574 -0.00704 0.00851 -0.00634 -0.00190 41 4YY -0.03274 -0.00657 -0.00825 0.00080 0.01585 42 4ZZ 0.01839 0.01241 0.00530 -0.00309 -0.00627 43 4XY -0.00012 -0.00805 -0.00999 -0.03312 0.00575 44 4XZ -0.00948 -0.00107 -0.02143 0.00578 -0.00029 45 4YZ 0.00319 0.01390 0.00441 0.03000 0.00051 46 4 C 1S 0.04402 -0.00967 0.00557 -0.05761 -0.00989 47 2S -0.09394 0.01511 0.00425 0.04575 -0.01900 48 2PX 0.05076 -0.00619 -0.05777 -0.09835 0.08093 49 2PY 0.19631 0.06457 0.08093 0.08903 -0.12886 50 2PZ 0.05467 -0.01862 -0.03603 0.03773 0.01786 51 3S -0.42430 0.27007 -0.33136 1.52646 0.68397 52 3PX -0.43227 0.03314 0.43010 -0.35743 -0.04599 53 3PY 0.73241 0.30976 0.06583 0.75783 -0.93049 54 3PZ 0.54589 -0.14226 -0.35829 0.30840 0.04705 55 4XX -0.00573 -0.00705 0.00850 -0.00638 0.00189 56 4YY 0.03274 -0.00655 -0.00824 0.00084 -0.01585 57 4ZZ -0.01840 0.01240 0.00530 -0.00309 0.00628 58 4XY -0.00015 0.00804 0.01000 0.03311 0.00576 59 4XZ 0.00947 -0.00106 -0.02142 0.00580 0.00029 60 4YZ 0.00320 -0.01390 -0.00443 -0.03000 0.00050 61 5 C 1S 0.00820 -0.00967 0.02978 0.02474 -0.03583 62 2S -0.01793 0.05931 -0.00262 -0.05518 -0.01057 63 2PX -0.04418 -0.08553 0.08287 -0.31828 -0.05728 64 2PY 0.13842 -0.07934 -0.11024 0.00874 -0.00560 65 2PZ -0.08083 0.17333 -0.09224 0.26127 0.02027 66 3S -0.49495 -0.04080 -0.84284 -0.39768 1.05654 67 3PX -0.24328 -0.23505 0.46750 -0.94415 -0.06535 68 3PY 1.30255 -0.88403 -1.64193 -0.02510 0.52884 69 3PZ -0.22719 0.46131 -0.10625 0.95442 0.00396 70 4XX 0.01599 -0.00169 -0.00907 0.00182 -0.00410 71 4YY -0.02279 -0.00057 0.00540 0.00197 0.00475 72 4ZZ 0.01462 -0.00170 -0.00626 -0.00258 -0.00902 73 4XY 0.00731 -0.00066 0.00022 -0.00600 -0.00792 74 4XZ -0.00307 -0.00788 -0.01386 -0.00581 0.02221 75 4YZ -0.00004 0.00010 -0.00132 0.00517 0.00635 76 6 C 1S 0.01296 0.02520 -0.01496 0.03096 0.01682 77 2S -0.07116 0.00106 0.04974 -0.01397 -0.07227 78 2PX 0.06789 -0.02344 0.00332 -0.02486 -0.07972 79 2PY 0.11386 0.02076 0.12876 -0.03398 -0.02486 80 2PZ -0.00259 0.01207 -0.02322 0.02213 0.12904 81 3S 0.12879 -0.70173 0.32639 -1.09211 0.34644 82 3PX 0.64400 -0.31934 -0.23776 -0.19764 -0.16009 83 3PY 0.34114 -0.25279 0.41928 -0.59071 -0.42607 84 3PZ -0.52300 0.36324 0.19724 0.29147 0.22054 85 4XX -0.01454 0.00703 0.01101 -0.00147 -0.00352 86 4YY 0.01973 -0.00305 -0.00555 0.00261 0.00220 87 4ZZ -0.00892 0.00958 0.00914 0.00471 0.00088 88 4XY 0.00326 0.00920 -0.02000 0.01683 -0.00187 89 4XZ 0.01284 -0.01386 -0.01556 -0.00384 -0.00513 90 4YZ -0.00083 -0.00927 0.02310 -0.02471 0.00527 91 7 H 1S 0.05899 -0.00265 0.10356 -0.06976 -0.02975 92 2S -0.24937 -0.06432 -0.49232 0.22236 0.17859 93 8 H 1S 0.04720 0.06457 0.04591 0.06888 -0.01919 94 2S -0.17072 -0.20838 -0.32525 -0.39823 -0.33358 95 9 H 1S -0.04722 0.06457 0.04591 0.06889 0.01921 96 2S 0.17065 -0.20819 -0.32521 -0.39861 0.33350 97 10 H 1S -0.05899 -0.00266 0.10357 -0.06976 0.02973 98 2S 0.24937 -0.06427 -0.49230 0.22245 -0.17851 99 11 O 1S -0.05911 -0.03433 -0.07690 -0.00772 -0.02619 100 2S 0.09242 0.02620 0.06727 0.01148 0.00187 101 2PX 0.01303 0.02890 -0.01223 0.06434 -0.00936 102 2PY 0.11377 0.03246 0.10481 0.02132 0.02667 103 2PZ -0.02656 -0.02407 0.02447 -0.07089 0.01680 104 3S 0.98607 0.72154 1.57243 0.11271 0.66991 105 3PX 0.04003 0.10304 0.03218 0.21449 0.01278 106 3PY 0.40871 0.27133 0.63869 0.05692 0.27272 107 3PZ -0.01260 -0.06637 0.11395 -0.19209 0.04531 108 4XX -0.02355 -0.02322 -0.04470 -0.00270 -0.01846 109 4YY 0.00389 0.00202 0.00078 -0.00038 -0.00394 110 4ZZ -0.02480 -0.02236 -0.04829 -0.00404 -0.02105 111 4XY 0.00405 0.00263 0.00854 -0.00601 0.00791 112 4XZ 0.00665 0.00028 -0.00092 -0.00094 -0.00891 113 4YZ 0.00504 0.00638 0.00309 0.00479 0.00152 114 12 O 1S 0.05912 -0.03431 -0.07691 -0.00774 0.02620 115 2S -0.09242 0.02617 0.06727 0.01149 -0.00185 116 2PX -0.01312 0.02893 -0.01216 0.06434 0.00938 117 2PY 0.11375 -0.03240 -0.10482 -0.02129 0.02668 118 2PZ 0.02656 -0.02407 0.02448 -0.07087 -0.01681 119 3S -0.98624 0.72119 1.57251 0.11303 -0.67007 120 3PX -0.04032 0.10324 0.03264 0.21452 -0.01296 121 3PY 0.40875 -0.27113 -0.63869 -0.05688 0.27276 122 3PZ 0.01261 -0.06638 0.11396 -0.19206 -0.04538 123 4XX 0.02355 -0.02321 -0.04469 -0.00272 0.01846 124 4YY -0.00388 0.00201 0.00077 -0.00037 0.00396 125 4ZZ 0.02480 -0.02235 -0.04829 -0.00405 0.02106 126 4XY 0.00407 -0.00265 -0.00858 0.00601 0.00793 127 4XZ -0.00666 0.00028 -0.00092 -0.00093 0.00890 128 4YZ 0.00504 -0.00638 -0.00309 -0.00479 0.00153 129 13 C 1S -0.00001 0.03835 -0.03750 -0.02888 0.00000 130 2S -0.00001 0.06116 0.02296 -0.01705 -0.00001 131 2PX -0.00001 0.03652 0.01874 -0.11440 -0.00002 132 2PY -0.01072 0.00001 0.00000 -0.00003 0.05300 133 2PZ 0.00000 -0.02388 0.05999 0.07160 0.00001 134 3S 0.00038 -1.48071 0.99226 0.96624 0.00019 135 3PX -0.00015 0.77286 -0.42906 -0.72565 0.00024 136 3PY -0.25764 0.00030 -0.00026 -0.00026 -0.92067 137 3PZ 0.00020 -1.11057 0.61061 0.91019 0.00013 138 4XX -0.00001 0.00939 0.01230 -0.01987 0.00001 139 4YY 0.00000 -0.01080 -0.01197 -0.00162 -0.00002 140 4ZZ 0.00000 0.00698 0.00087 0.01860 0.00000 141 4XY 0.00467 0.00001 0.00001 -0.00001 -0.02536 142 4XZ 0.00000 -0.01651 0.01668 0.00525 -0.00001 143 4YZ 0.01297 -0.00001 0.00000 0.00000 0.02280 144 14 H 1S 0.00001 -0.02731 0.07746 -0.02384 -0.00001 145 2S 0.00007 -0.10339 -0.12784 0.26096 -0.00001 146 15 H 1S 0.00001 0.01246 0.00384 0.10434 0.00002 147 2S 0.00005 -0.32028 0.15116 0.56597 0.00012 148 16 C 1S 0.01581 -0.05956 0.03894 0.03968 0.04105 149 2S 0.00720 0.03302 0.00199 -0.02130 0.04268 150 2PX -0.08973 -0.05569 -0.08494 0.01349 -0.11696 151 2PY -0.00037 0.10733 -0.07842 -0.07538 -0.13506 152 2PZ 0.00813 0.15660 -0.03219 -0.06724 0.14635 153 3S -0.44660 1.87495 -1.04184 -1.24917 -1.48698 154 3PX -0.07739 0.00707 -0.03893 -0.04067 0.02575 155 3PY -0.03625 1.27566 -0.55658 -0.83248 -1.16614 156 3PZ 0.01547 0.78102 -0.15649 -0.17623 -0.52801 157 4XX -0.00270 -0.00840 -0.00602 0.00905 0.00319 158 4YY 0.00282 0.01041 0.01024 0.00050 -0.00032 159 4ZZ 0.00633 -0.00644 0.00687 -0.00605 0.00586 160 4XY -0.00984 -0.00620 -0.00166 0.00896 -0.01063 161 4XZ -0.00451 -0.00668 -0.00002 0.00916 -0.00109 162 4YZ -0.00263 -0.00413 0.00300 -0.00025 0.02427 163 17 H 1S 0.02511 0.02812 0.06483 -0.00634 0.04437 164 2S 0.17966 0.68065 -0.14025 -0.34217 -0.56769 165 18 C 1S 0.01148 0.04227 -0.01006 -0.01458 -0.06946 166 2S -0.00683 -0.01516 0.03163 -0.02762 0.03585 167 2PX 0.01034 -0.03245 -0.01414 -0.03995 0.03864 168 2PY -0.01328 -0.05202 0.00453 0.04234 0.11114 169 2PZ -0.05642 0.08458 -0.07036 0.00528 -0.12046 170 3S -0.16886 -1.28632 0.29855 0.56749 2.99121 171 3PX 0.16814 -0.25487 0.14395 0.14393 0.43295 172 3PY -0.02400 0.25568 0.01592 -0.07330 2.10047 173 3PZ -0.19710 1.04483 -0.40935 -0.54614 -1.17286 174 4XX -0.00169 -0.00434 0.00052 0.00477 -0.00932 175 4YY 0.00578 -0.01457 0.00901 0.00641 -0.00020 176 4ZZ 0.00295 0.02749 -0.00357 -0.01782 0.02103 177 4XY -0.00095 -0.01156 0.00293 0.00409 -0.00279 178 4XZ 0.00560 0.00086 0.00311 -0.00018 -0.00631 179 4YZ 0.00185 0.01113 -0.01100 -0.00457 0.00925 180 19 H 1S 0.00758 -0.00734 0.04302 0.00884 0.01399 181 2S 0.25991 -0.30946 0.24617 0.18026 1.01864 182 20 C 1S -0.01577 -0.05956 0.03893 0.03969 -0.04104 183 2S -0.00725 0.03301 0.00199 -0.02129 -0.04272 184 2PX 0.08976 -0.05562 -0.08501 0.01341 0.11705 185 2PY -0.00029 -0.10735 0.07838 0.07539 -0.13494 186 2PZ -0.00815 0.15653 -0.03220 -0.06720 -0.14643 187 3S 0.44576 1.87522 -1.04169 -1.24947 1.48665 188 3PX 0.07742 0.00786 -0.03929 -0.04122 -0.02511 189 3PY -0.03570 -1.27577 0.55640 0.83258 -1.16601 190 3PZ -0.01564 0.78063 -0.15637 -0.17611 0.52766 191 4XX 0.00271 -0.00840 -0.00602 0.00906 -0.00318 192 4YY -0.00284 0.01041 0.01024 0.00050 0.00030 193 4ZZ -0.00633 -0.00644 0.00687 -0.00604 -0.00586 194 4XY -0.00984 0.00619 0.00164 -0.00896 -0.01063 195 4XZ 0.00452 -0.00668 -0.00002 0.00915 0.00107 196 4YZ -0.00263 0.00413 -0.00299 0.00025 0.02427 197 21 H 1S -0.02511 0.02813 0.06482 -0.00634 -0.04434 198 2S -0.17976 0.68037 -0.14016 -0.34208 0.56750 199 22 C 1S -0.01149 0.04227 -0.01006 -0.01459 0.06945 200 2S 0.00683 -0.01517 0.03161 -0.02761 -0.03586 201 2PX -0.01034 -0.03246 -0.01410 -0.03991 -0.03871 202 2PY -0.01330 0.05203 -0.00453 -0.04241 0.11108 203 2PZ 0.05638 0.08460 -0.07032 0.00526 0.12049 204 3S 0.16923 -1.28643 0.29848 0.56805 -2.99103 205 3PX -0.16803 -0.25462 0.14391 0.14392 -0.43412 206 3PY -0.02410 -0.25587 -0.01565 0.07307 2.10005 207 3PZ 0.19674 1.04482 -0.40926 -0.54633 1.17303 208 4XX 0.00169 -0.00435 0.00053 0.00477 0.00932 209 4YY -0.00578 -0.01454 0.00900 0.00640 0.00019 210 4ZZ -0.00295 0.02748 -0.00357 -0.01781 -0.02103 211 4XY -0.00094 0.01157 -0.00294 -0.00409 -0.00279 212 4XZ -0.00561 0.00087 0.00310 -0.00018 0.00630 213 4YZ 0.00186 -0.01114 0.01100 0.00458 0.00927 214 23 H 1S -0.00757 -0.00735 0.04300 0.00884 -0.01398 215 2S -0.25977 -0.30955 0.24607 0.18047 -1.01857 71 72 73 74 75 V V V V V Eigenvalues -- 0.34534 0.36196 0.37930 0.43084 0.44857 1 1 C 1S -0.06708 0.02626 0.00916 -0.00696 -0.11288 2 2S 0.11368 -0.13159 0.01624 -0.31672 0.03844 3 2PX 0.08268 -0.18301 0.00120 -0.26920 0.05876 4 2PY 0.18426 0.09939 -0.04382 -0.11709 0.15876 5 2PZ -0.07465 0.15415 -0.04388 -0.11172 -0.13720 6 3S 1.59302 0.40997 -0.75949 0.29545 3.68825 7 3PX -0.02692 -0.44442 -0.02456 0.16909 1.24895 8 3PY 1.62976 0.77781 -0.73513 0.17610 1.60342 9 3PZ -0.01761 0.61148 -0.00235 0.09455 -1.35570 10 4XX 0.01203 -0.00126 0.00070 -0.00575 0.01133 11 4YY -0.03687 -0.01332 0.00184 -0.05481 -0.04534 12 4ZZ 0.01415 -0.00184 -0.00369 -0.01408 -0.00369 13 4XY -0.00068 0.00443 0.00013 0.00060 0.00497 14 4XZ -0.00498 -0.00110 0.00404 0.02162 0.02170 15 4YZ -0.00085 -0.00633 0.00057 -0.02110 -0.00531 16 2 C 1S -0.02377 -0.09917 -0.00134 0.00477 0.07622 17 2S 0.03236 0.04344 0.03042 -0.24968 -0.26796 18 2PX 0.11441 0.02657 0.06563 -0.09999 0.13365 19 2PY 0.05268 -0.02684 0.00288 -0.05629 -0.13273 20 2PZ -0.11914 -0.01100 -0.04416 -0.17039 -0.12535 21 3S 0.59570 2.63774 -0.08152 0.42907 -1.02156 22 3PX 0.12312 -0.03387 0.19600 0.07700 0.11036 23 3PY 0.47725 -0.43645 0.40153 -0.09874 -2.43332 24 3PZ 0.05925 -0.05154 -0.12159 0.07287 -0.52306 25 4XX 0.00033 -0.00162 -0.00218 -0.01489 -0.02217 26 4YY 0.00115 -0.01086 -0.00528 -0.00068 0.04156 27 4ZZ -0.00579 -0.00507 0.01099 -0.02841 -0.02254 28 4XY -0.02334 -0.00488 -0.00271 -0.00008 0.00154 29 4XZ 0.00363 0.03763 -0.01204 0.03320 0.02497 30 4YZ 0.02251 -0.00641 -0.00231 0.00218 0.01659 31 3 C 1S 0.09232 0.02306 0.01159 0.00427 -0.07171 32 2S -0.12108 -0.10193 0.01761 -0.17171 -0.01287 33 2PX 0.10776 0.17021 -0.05043 0.03750 0.03550 34 2PY -0.15508 0.09344 -0.05703 -0.04314 0.16254 35 2PZ -0.14768 -0.17503 -0.02241 -0.15243 0.01338 36 3S -1.99445 0.43849 -0.48349 0.12887 2.96214 37 3PX 0.46312 0.61070 0.27681 0.02581 -0.74180 38 3PY -1.39915 0.93039 -0.24866 0.09049 1.99868 39 3PZ -0.63674 -0.56170 -0.24408 0.02010 0.79367 40 4XX -0.00789 0.00200 0.00753 -0.00921 0.00277 41 4YY 0.02734 -0.00490 0.00965 -0.02849 -0.01290 42 4ZZ -0.00722 0.00217 -0.01061 0.01616 0.00615 43 4XY 0.00051 -0.00642 0.00396 -0.01383 -0.00291 44 4XZ -0.00637 -0.00483 -0.00664 0.00921 0.01025 45 4YZ 0.00205 0.00053 0.00064 0.01291 -0.00180 46 4 C 1S -0.09233 -0.02306 -0.01160 0.00427 0.07171 47 2S 0.12108 0.10193 -0.01762 -0.17173 0.01281 48 2PX -0.10771 -0.17030 0.05049 0.03747 -0.03556 49 2PY -0.15514 0.09334 -0.05694 0.04317 0.16253 50 2PZ 0.14763 0.17501 0.02240 -0.15249 -0.01335 51 3S 1.99475 -0.43853 0.48349 0.12937 -2.96206 52 3PX -0.46239 -0.61122 -0.27667 0.02575 0.74074 53 3PY -1.39935 0.92991 -0.24893 -0.09072 1.99925 54 3PZ 0.63650 0.56180 0.24398 0.02023 -0.79328 55 4XX 0.00789 -0.00200 -0.00754 -0.00923 -0.00276 56 4YY -0.02734 0.00488 -0.00966 -0.02848 0.01289 57 4ZZ 0.00723 -0.00216 0.01063 0.01616 -0.00617 58 4XY 0.00054 -0.00643 0.00395 0.01385 -0.00291 59 4XZ 0.00637 0.00483 0.00665 0.00922 -0.01025 60 4YZ 0.00204 0.00054 0.00064 -0.01292 -0.00180 61 5 C 1S 0.02377 0.09916 0.00134 0.00477 -0.07621 62 2S -0.03236 -0.04343 -0.03045 -0.24970 0.26783 63 2PX -0.11451 -0.02658 -0.06565 -0.10001 -0.13353 64 2PY 0.05259 -0.02686 0.00284 0.05624 -0.13279 65 2PZ 0.11914 0.01095 0.04414 -0.17039 0.12538 66 3S -0.59579 -2.63767 0.08155 0.42906 1.02167 67 3PX -0.12361 0.03414 -0.19624 0.07689 -0.10875 68 3PY 0.47701 -0.43640 0.40140 0.09921 -2.43335 69 3PZ -0.05902 0.05147 0.12156 0.07289 0.52293 70 4XX -0.00030 0.00163 0.00218 -0.01490 0.02217 71 4YY -0.00118 0.01085 0.00527 -0.00068 -0.04155 72 4ZZ 0.00580 0.00507 -0.01099 -0.02841 0.02252 73 4XY -0.02334 -0.00489 -0.00271 0.00007 0.00160 74 4XZ -0.00365 -0.03763 0.01205 0.03320 -0.02497 75 4YZ 0.02251 -0.00644 -0.00231 -0.00216 0.01658 76 6 C 1S 0.06709 -0.02626 -0.00917 -0.00697 0.11288 77 2S -0.11368 0.13158 -0.01625 -0.31673 -0.03853 78 2PX -0.08283 0.18293 -0.00119 -0.26930 -0.05887 79 2PY 0.18420 0.09951 -0.04382 0.11687 0.15875 80 2PZ 0.07463 -0.15415 0.04387 -0.11174 0.13726 81 3S -1.59325 -0.40996 0.75954 0.29613 -3.68813 82 3PX 0.02574 0.44391 0.02509 0.16936 -1.25002 83 3PY 1.62967 0.77814 -0.73508 -0.17645 1.60247 84 3PZ 0.01777 -0.61145 0.00230 0.09440 1.35577 85 4XX -0.01203 0.00126 -0.00070 -0.00575 -0.01135 86 4YY 0.03686 0.01332 -0.00184 -0.05482 0.04533 87 4ZZ -0.01415 0.00184 0.00369 -0.01408 0.00369 88 4XY -0.00072 0.00442 0.00013 -0.00057 0.00492 89 4XZ 0.00498 0.00111 -0.00404 0.02160 -0.02169 90 4YZ -0.00084 -0.00633 0.00057 0.02111 -0.00532 91 7 H 1S 0.01385 0.02736 -0.01110 -0.02127 -0.14087 92 2S 0.43348 -0.32623 -0.10045 -0.09206 0.86614 93 8 H 1S 0.03821 0.01686 -0.02215 0.04970 -0.06844 94 2S -0.59689 -0.37129 -0.28876 -0.14586 0.55161 95 9 H 1S -0.03818 -0.01684 0.02217 0.04971 0.06841 96 2S 0.59668 0.37128 0.28870 -0.14588 -0.55154 97 10 H 1S -0.01386 -0.02737 0.01110 -0.02128 0.14088 98 2S -0.43346 0.32625 0.10045 -0.09193 -0.86620 99 11 O 1S -0.00996 0.05218 -0.00789 0.00502 0.03135 100 2S 0.00827 -0.03930 -0.01070 0.03549 0.08630 101 2PX -0.12232 -0.01376 0.00644 -0.01014 0.00538 102 2PY 0.00197 -0.11856 -0.01471 0.03616 0.12626 103 2PZ 0.10874 -0.01596 -0.01675 0.01059 0.03987 104 3S 0.22718 -1.07698 0.29359 -0.23697 -1.42474 105 3PX -0.09442 -0.07428 -0.01227 -0.01942 -0.14729 106 3PY 0.07061 -0.51590 0.09101 -0.09053 -0.38785 107 3PZ 0.09803 -0.04637 0.03023 -0.00553 0.02940 108 4XX -0.00026 0.03053 -0.01121 0.01641 0.05214 109 4YY 0.00082 0.01269 -0.00118 0.00936 -0.00143 110 4ZZ -0.01275 0.02941 -0.00739 0.01628 0.05364 111 4XY 0.01066 -0.00302 0.00428 -0.00732 -0.00310 112 4XZ 0.00230 0.01635 -0.00371 0.00569 0.00684 113 4YZ -0.01065 -0.00403 0.00101 -0.01185 -0.01329 114 12 O 1S 0.00996 -0.05218 0.00789 0.00502 -0.03135 115 2S -0.00827 0.03931 0.01071 0.03552 -0.08629 116 2PX 0.12234 0.01387 -0.00641 -0.01011 -0.00549 117 2PY 0.00206 -0.11854 -0.01472 -0.03618 0.12623 118 2PZ -0.10874 0.01596 0.01674 0.01059 -0.03988 119 3S -0.22704 1.07693 -0.29362 -0.23728 1.42465 120 3PX 0.09442 0.07466 0.01219 -0.01951 0.14761 121 3PY 0.07062 -0.51582 0.09103 0.09061 -0.38771 122 3PZ -0.09806 0.04640 -0.03023 -0.00555 -0.02936 123 4XX 0.00024 -0.03052 0.01120 0.01641 -0.05213 124 4YY -0.00081 -0.01269 0.00119 0.00938 0.00142 125 4ZZ 0.01275 -0.02941 0.00739 0.01629 -0.05363 126 4XY 0.01066 -0.00304 0.00429 0.00733 -0.00314 127 4XZ -0.00229 -0.01634 0.00372 0.00569 -0.00682 128 4YZ -0.01065 -0.00404 0.00101 0.01185 -0.01330 129 13 C 1S 0.00000 0.00000 0.00000 0.00933 0.00000 130 2S 0.00000 0.00001 0.00002 -0.03471 -0.00001 131 2PX 0.00001 -0.00005 -0.00009 -0.02375 -0.00002 132 2PY -0.07833 0.12560 0.26840 -0.00002 0.11966 133 2PZ 0.00001 0.00002 0.00004 -0.02005 0.00001 134 3S 0.00010 0.00004 -0.00015 0.11436 0.00010 135 3PX -0.00017 0.00007 -0.00025 0.11356 -0.00006 136 3PY 0.24439 -0.24885 0.95608 0.00000 0.00579 137 3PZ 0.00017 0.00001 0.00001 0.05323 0.00003 138 4XX -0.00001 0.00000 -0.00001 -0.00260 0.00000 139 4YY 0.00001 0.00000 0.00001 0.01600 0.00001 140 4ZZ 0.00000 0.00000 0.00000 -0.00186 -0.00001 141 4XY 0.00622 0.00166 0.02605 -0.00001 0.00401 142 4XZ 0.00001 0.00000 0.00000 -0.00754 0.00001 143 4YZ -0.01040 0.00606 0.01415 0.00000 -0.00032 144 14 H 1S 0.00000 -0.00001 0.00000 -0.07609 0.00000 145 2S 0.00002 -0.00001 -0.00004 -0.05626 -0.00001 146 15 H 1S 0.00002 0.00000 0.00000 -0.00223 -0.00002 147 2S 0.00012 0.00003 0.00002 0.04683 -0.00001 148 16 C 1S -0.01186 0.02127 0.03308 0.00898 0.00813 149 2S 0.00916 -0.01018 0.03528 -0.06912 -0.05440 150 2PX 0.03721 0.03979 0.13103 0.01947 0.05335 151 2PY 0.04993 -0.02556 0.03711 0.06097 -0.00677 152 2PZ -0.02780 0.00199 -0.17815 -0.11313 -0.09109 153 3S 0.43048 -0.88460 -1.47635 -0.16923 -0.44507 154 3PX -0.08120 0.09543 0.72020 0.08834 0.14937 155 3PY 0.31212 -0.70272 -0.12451 -0.17471 -0.30148 156 3PZ 0.19677 -0.48646 -1.79924 -0.01902 -0.38346 157 4XX -0.00556 0.00017 -0.01037 0.01663 0.00585 158 4YY 0.00402 -0.00624 -0.00781 -0.02113 -0.01189 159 4ZZ 0.00264 0.00020 0.02931 0.00402 -0.00653 160 4XY 0.01424 -0.00437 -0.01187 0.00481 -0.00602 161 4XZ -0.00417 0.00886 -0.00095 0.01107 0.01216 162 4YZ -0.00321 0.01494 0.00637 -0.00745 0.00200 163 17 H 1S -0.01204 0.01242 -0.02792 -0.06679 -0.02439 164 2S 0.14015 -0.33683 -0.17481 0.00306 -0.17442 165 18 C 1S 0.01880 -0.05807 -0.01568 -0.01709 -0.03070 166 2S 0.00150 -0.01609 0.01481 -0.32523 -0.04391 167 2PX -0.01125 0.11053 0.00357 0.28235 0.11047 168 2PY -0.03031 0.10511 -0.23499 -0.11014 0.04927 169 2PZ 0.01117 -0.01996 -0.22682 0.06720 0.03594 170 3S -0.79903 2.12325 0.72101 0.56438 0.92732 171 3PX -0.10473 0.16641 0.36905 -0.20796 0.00501 172 3PY -0.42335 1.10343 -1.37036 0.06851 0.08852 173 3PZ 0.34134 -0.88536 -1.77807 -0.12674 -0.59424 174 4XX 0.00258 -0.00007 -0.00181 0.01834 0.00649 175 4YY 0.00315 -0.01693 0.02209 -0.05287 -0.01698 176 4ZZ -0.00516 0.00108 -0.01211 -0.05044 -0.01238 177 4XY 0.00198 -0.00307 0.00000 0.01182 -0.00442 178 4XZ -0.00153 -0.00391 -0.00413 0.02151 0.00448 179 4YZ -0.00209 0.00189 0.00265 0.02081 -0.00069 180 19 H 1S 0.00682 -0.04683 -0.02361 -0.19950 -0.08304 181 2S -0.20637 0.50775 0.29099 -0.01567 0.14439 182 20 C 1S 0.01188 -0.02126 -0.03309 0.00899 -0.00812 183 2S -0.00917 0.01017 -0.03532 -0.06912 0.05437 184 2PX -0.03724 -0.03981 -0.13106 0.01959 -0.05337 185 2PY 0.04995 -0.02557 0.03700 -0.06095 -0.00685 186 2PZ 0.02773 -0.00204 0.17814 -0.11319 0.09114 187 3S -0.43097 0.88451 1.47693 -0.16968 0.44504 188 3PX 0.08101 -0.09497 -0.72011 0.08831 -0.14910 189 3PY 0.31250 -0.70287 -0.12552 0.17500 -0.30154 190 3PZ -0.19687 0.48635 1.79946 -0.01929 0.38341 191 4XX 0.00554 -0.00016 0.01038 0.01663 -0.00583 192 4YY -0.00400 0.00623 0.00780 -0.02114 0.01185 193 4ZZ -0.00264 -0.00020 -0.02932 0.00402 0.00654 194 4XY 0.01425 -0.00438 -0.01186 -0.00479 -0.00604 195 4XZ 0.00418 -0.00887 0.00094 0.01106 -0.01216 196 4YZ -0.00321 0.01494 0.00638 0.00744 0.00200 197 21 H 1S 0.01209 -0.01242 0.02793 -0.06680 0.02429 198 2S -0.14032 0.33682 0.17487 0.00294 0.17445 199 22 C 1S -0.01881 0.05807 0.01569 -0.01711 0.03070 200 2S -0.00151 0.01603 -0.01484 -0.32526 0.04386 201 2PX 0.01128 -0.11057 -0.00341 0.28238 -0.11046 202 2PY -0.03032 0.10503 -0.23503 0.11028 0.04923 203 2PZ -0.01119 0.02000 0.22680 0.06722 -0.03595 204 3S 0.79936 -2.12320 -0.72140 0.56510 -0.92727 205 3PX 0.10506 -0.16705 -0.36819 -0.20794 -0.00513 206 3PY -0.42315 1.10318 -1.37099 -0.06869 0.08835 207 3PZ -0.34170 0.88551 1.77807 -0.12725 0.59432 208 4XX -0.00258 0.00007 0.00181 0.01836 -0.00649 209 4YY -0.00315 0.01692 -0.02209 -0.05289 0.01697 210 4ZZ 0.00514 -0.00109 0.01210 -0.05045 0.01237 211 4XY 0.00198 -0.00309 0.00002 -0.01177 -0.00444 212 4XZ 0.00154 0.00391 0.00413 0.02152 -0.00448 213 4YZ -0.00209 0.00189 0.00264 -0.02079 -0.00071 214 23 H 1S -0.00680 0.04679 0.02359 -0.19954 0.08295 215 2S 0.20646 -0.50771 -0.29102 -0.01554 -0.14438 76 77 78 79 80 V V V V V Eigenvalues -- 0.48426 0.48558 0.50348 0.51926 0.52831 1 1 C 1S -0.00168 -0.00048 -0.01367 -0.02227 -0.00057 2 2S -0.06885 -0.16090 -0.19655 -0.09448 0.00087 3 2PX -0.10823 0.12875 0.04622 0.29750 0.00864 4 2PY 0.14216 -0.06432 -0.15235 -0.36604 0.01757 5 2PZ 0.10543 0.25919 -0.10582 -0.02193 0.02570 6 3S 1.65785 0.17801 -0.00971 -0.21077 0.37844 7 3PX -0.37006 -0.09062 -0.06111 -0.35700 -0.06389 8 3PY 2.83330 0.05312 0.31705 0.63812 0.62848 9 3PZ 0.64121 -0.20194 0.20184 0.13714 0.11108 10 4XX -0.00280 0.00447 -0.00649 0.01605 0.00184 11 4YY 0.00791 -0.02718 -0.03592 -0.05772 0.00460 12 4ZZ 0.00539 -0.00290 -0.01789 0.00875 0.00115 13 4XY -0.00597 0.02199 -0.01047 0.01659 -0.00270 14 4XZ -0.01560 -0.00044 0.03778 0.01030 -0.00369 15 4YZ 0.00876 -0.01428 0.00024 -0.00214 0.00208 16 2 C 1S 0.01989 0.01133 0.01143 0.00535 -0.00445 17 2S -0.09095 -0.29598 -0.09957 -0.09467 0.04155 18 2PX -0.34843 0.13779 0.17738 0.09124 -0.04556 19 2PY -0.02236 -0.10598 -0.16485 -0.03836 -0.03973 20 2PZ 0.37416 0.18864 0.14975 -0.03273 0.05097 21 3S -0.18333 0.50141 0.26421 0.28021 -0.16185 22 3PX -1.46958 0.01360 -0.40258 -0.14124 -0.43310 23 3PY -0.61845 -0.06978 -0.05382 0.08434 -0.25700 24 3PZ 1.43071 -0.24556 0.01126 0.12221 0.26485 25 4XX 0.00092 -0.02061 0.00280 -0.00806 -0.01050 26 4YY 0.01051 0.00899 -0.00963 0.00255 -0.00853 27 4ZZ -0.01365 -0.02982 0.00792 -0.00366 0.00999 28 4XY 0.02032 0.00486 -0.00647 -0.03173 -0.00925 29 4XZ 0.00698 0.03625 -0.01651 -0.00575 -0.00324 30 4YZ -0.01551 0.00087 0.00062 0.03298 -0.00327 31 3 C 1S -0.04094 -0.00142 -0.00883 0.01125 -0.01079 32 2S 0.11598 -0.20641 0.01481 0.02296 -0.18583 33 2PX -0.10507 0.29147 0.00508 0.06662 -0.16726 34 2PY -0.07523 -0.19758 -0.03872 0.28387 -0.03952 35 2PZ 0.12456 0.09583 0.11059 -0.11297 -0.12677 36 3S 0.27303 -0.09412 0.23585 0.13839 0.80951 37 3PX -1.28930 -0.24054 -0.07396 -0.03902 0.09998 38 3PY -1.74996 0.35726 -0.12535 -0.44461 -0.25324 39 3PZ 0.76870 -0.20255 -0.06492 0.14403 0.66486 40 4XX 0.00228 -0.00676 0.00844 -0.01424 -0.00599 41 4YY -0.01711 -0.04973 0.00779 0.04738 -0.00510 42 4ZZ 0.00876 0.01772 -0.01567 -0.02541 -0.02326 43 4XY -0.01431 -0.00835 0.00052 -0.00945 0.00771 44 4XZ 0.02221 0.02936 0.00812 -0.00160 0.01366 45 4YZ 0.00889 0.01446 0.00199 -0.01034 0.00523 46 4 C 1S 0.04091 -0.00182 -0.00887 0.01126 0.01077 47 2S -0.11802 -0.20524 0.01479 0.02298 0.18574 48 2PX 0.10791 0.29025 0.00489 0.06681 0.16716 49 2PY -0.07314 0.19851 0.03870 -0.28391 -0.03922 50 2PZ -0.12360 0.09698 0.11057 -0.11300 0.12690 51 3S -0.27362 -0.09110 0.23684 0.13804 -0.80935 52 3PX 1.28798 -0.25280 -0.07439 -0.03878 -0.09974 53 3PY -1.75244 -0.34071 0.12545 0.44402 -0.25339 54 3PZ -0.77069 -0.19489 -0.06428 0.14359 -0.66503 55 4XX -0.00231 -0.00676 0.00844 -0.01424 0.00601 56 4YY 0.01659 -0.04987 0.00778 0.04738 0.00507 57 4ZZ -0.00860 0.01781 -0.01567 -0.02540 0.02324 58 4XY -0.01425 0.00851 -0.00052 0.00940 0.00772 59 4XZ -0.02192 0.02957 0.00813 -0.00161 -0.01365 60 4YZ 0.00872 -0.01454 -0.00199 0.01035 0.00522 61 5 C 1S -0.01977 0.01153 0.01145 0.00536 0.00446 62 2S 0.08807 -0.29686 -0.09961 -0.09475 -0.04170 63 2PX 0.34982 0.13440 0.17718 0.09125 0.04566 64 2PY -0.02104 0.10633 0.16499 0.03837 -0.03957 65 2PZ -0.37224 0.19231 0.14993 -0.03297 -0.05084 66 3S 0.18805 0.49941 0.26387 0.28041 0.16215 67 3PX 1.46999 -0.00069 -0.40318 -0.14051 0.43312 68 3PY -0.61655 0.07606 0.05418 -0.08481 -0.25666 69 3PZ -1.43284 -0.23183 0.01155 0.12178 -0.26480 70 4XX -0.00116 -0.02061 0.00279 -0.00809 0.01050 71 4YY -0.01040 0.00909 -0.00961 0.00260 0.00852 72 4ZZ 0.01337 -0.02994 0.00792 -0.00368 -0.00998 73 4XY 0.02028 -0.00508 0.00648 0.03172 -0.00926 74 4XZ -0.00662 0.03631 -0.01651 -0.00572 0.00323 75 4YZ -0.01551 -0.00069 -0.00063 -0.03298 -0.00325 76 6 C 1S 0.00168 -0.00051 -0.01369 -0.02228 0.00057 77 2S 0.06726 -0.16155 -0.19653 -0.09447 -0.00096 78 2PX 0.10925 0.12762 0.04616 0.29724 -0.00858 79 2PY 0.14279 0.06300 0.15235 0.36628 0.01760 80 2PZ -0.10297 0.26015 -0.10575 -0.02199 -0.02571 81 3S -1.65605 0.19445 -0.00869 -0.21155 -0.37846 82 3PX 0.36732 -0.09394 -0.06087 -0.35642 0.06336 83 3PY 2.83297 -0.08071 -0.31827 -0.63716 0.62844 84 3PZ -0.64297 -0.19586 0.20181 0.13691 -0.11099 85 4XX 0.00284 0.00447 -0.00650 0.01606 -0.00184 86 4YY -0.00817 -0.02713 -0.03590 -0.05776 -0.00461 87 4ZZ -0.00543 -0.00285 -0.01788 0.00875 -0.00117 88 4XY -0.00616 -0.02191 0.01049 -0.01655 -0.00269 89 4XZ 0.01560 -0.00060 0.03777 0.01031 0.00371 90 4YZ 0.00891 0.01420 -0.00022 0.00215 0.00208 91 7 H 1S 0.03948 0.06089 -0.15813 -0.06510 0.00638 92 2S 0.25175 -0.09212 0.04288 -0.03305 0.07375 93 8 H 1S -0.07084 -0.00756 -0.09896 -0.00559 -0.01567 94 2S 0.01288 -0.05574 -0.09763 0.01445 0.09780 95 9 H 1S 0.07075 -0.00821 -0.09901 -0.00557 0.01552 96 2S -0.01340 -0.05557 -0.09747 0.01442 -0.09787 97 10 H 1S -0.03893 0.06124 -0.15813 -0.06513 -0.00649 98 2S -0.25260 -0.08958 0.04310 -0.03318 -0.07373 99 11 O 1S 0.00751 0.00284 0.00905 -0.00165 0.00747 100 2S 0.02989 0.05409 -0.00897 0.00960 -0.00619 101 2PX -0.00504 0.01688 0.00660 -0.12127 -0.00021 102 2PY 0.03646 0.05642 -0.01616 0.01893 -0.01655 103 2PZ 0.01640 0.00284 0.01903 0.11687 0.00561 104 3S -0.40719 -0.26798 -0.17381 -0.01315 -0.16358 105 3PX 0.20163 -0.01804 0.02699 0.00339 0.04024 106 3PY -0.12054 -0.09613 -0.09915 -0.00937 -0.06404 107 3PZ -0.24972 0.01809 -0.02459 0.00394 -0.04950 108 4XX 0.01327 0.02456 0.00663 0.01246 0.00457 109 4YY 0.00087 -0.00035 0.00110 -0.00331 0.00907 110 4ZZ 0.01572 0.02429 0.00765 -0.00674 0.00053 111 4XY -0.01339 0.00285 0.01485 0.01629 0.00249 112 4XZ 0.00429 0.01208 -0.00006 0.00087 -0.00117 113 4YZ 0.00948 0.00960 0.00877 -0.01401 0.00152 114 12 O 1S -0.00747 0.00292 0.00906 -0.00165 -0.00747 115 2S -0.02937 0.05441 -0.00897 0.00962 0.00620 116 2PX 0.00522 0.01689 0.00657 -0.12126 0.00025 117 2PY 0.03592 -0.05677 0.01612 -0.01904 -0.01656 118 2PZ -0.01640 0.00300 0.01904 0.11684 -0.00564 119 3S 0.40449 -0.27213 -0.17414 -0.01293 0.16344 120 3PX -0.20171 -0.01619 0.02699 0.00332 -0.04018 121 3PY -0.11972 0.09733 0.09926 0.00930 -0.06399 122 3PZ 0.24984 0.01567 -0.02465 0.00403 0.04947 123 4XX -0.01302 0.02470 0.00666 0.01248 -0.00457 124 4YY -0.00089 -0.00034 0.00106 -0.00333 -0.00907 125 4ZZ -0.01548 0.02446 0.00766 -0.00674 -0.00051 126 4XY -0.01343 -0.00271 -0.01484 -0.01627 0.00249 127 4XZ -0.00418 0.01213 -0.00005 0.00086 0.00117 128 4YZ 0.00938 -0.00968 -0.00877 0.01402 0.00151 129 13 C 1S 0.00006 0.01351 -0.02730 -0.00119 -0.00001 130 2S 0.00001 0.00447 -0.00526 -0.03127 -0.00007 131 2PX -0.00014 -0.04202 0.05036 -0.06250 -0.00008 132 2PY -0.00510 0.00000 -0.00009 0.00004 0.61576 133 2PZ 0.00027 0.05320 -0.06554 -0.03672 0.00004 134 3S -0.00201 -0.41337 0.39174 0.34207 0.00019 135 3PX 0.00158 0.35747 -0.64271 0.00847 -0.00005 136 3PY 0.12690 -0.00043 -0.00017 -0.00006 -0.74368 137 3PZ -0.00187 -0.40847 0.82753 0.17599 0.00011 138 4XX 0.00003 0.00095 0.01355 -0.04532 0.00003 139 4YY -0.00004 -0.00487 -0.03631 0.02743 -0.00001 140 4ZZ 0.00000 0.00205 0.00482 0.01691 -0.00002 141 4XY -0.01516 0.00008 0.00001 -0.00003 -0.00230 142 4XZ -0.00007 -0.01857 0.04032 -0.01399 0.00002 143 4YZ -0.00659 0.00002 0.00001 0.00000 -0.00768 144 14 H 1S -0.00002 -0.01892 0.20581 -0.16394 0.00010 145 2S 0.00005 0.02388 0.08291 0.09515 -0.00006 146 15 H 1S 0.00006 0.01446 0.02886 0.04877 -0.00007 147 2S -0.00045 -0.10825 0.33620 0.01354 0.00007 148 16 C 1S 0.00825 -0.01609 0.03448 -0.00581 -0.02855 149 2S -0.06448 -0.08318 0.01280 0.02339 -0.00578 150 2PX 0.12819 0.16536 0.00358 -0.00164 -0.33406 151 2PY -0.04275 -0.03621 -0.10587 0.09354 0.07973 152 2PZ -0.02709 -0.03904 0.20873 -0.02730 -0.18196 153 3S -0.29410 0.53197 -0.63846 -0.15461 -0.18424 154 3PX -0.00229 -0.25655 0.00268 -0.06753 0.55675 155 3PY -0.06270 0.40455 -0.41935 -0.29295 -0.15014 156 3PZ -0.47777 0.16158 -0.49604 -0.01684 0.48629 157 4XX 0.00477 -0.00475 -0.03065 0.01997 0.04030 158 4YY -0.01242 0.01929 0.00171 -0.02563 -0.04158 159 4ZZ -0.00152 -0.03220 0.03684 -0.00197 -0.03090 160 4XY 0.00787 -0.00821 -0.00521 0.02375 -0.04118 161 4XZ 0.00116 0.01229 0.00245 -0.00595 0.03057 162 4YZ 0.00854 -0.01024 0.03293 -0.00045 0.00681 163 17 H 1S -0.02050 0.05088 0.16712 -0.15301 -0.22890 164 2S -0.09709 0.10590 -0.23921 -0.05232 -0.00397 165 18 C 1S -0.01805 0.00768 -0.01553 0.00184 0.00782 166 2S 0.00027 0.04988 0.11713 -0.06927 -0.15211 167 2PX 0.05367 0.06490 0.18396 -0.18181 -0.21616 168 2PY -0.03246 0.14816 -0.27685 0.04726 0.13849 169 2PZ -0.03392 0.16135 -0.18109 -0.04132 0.08457 170 3S 0.55024 -0.27374 0.21349 0.12128 -0.08053 171 3PX 0.11833 -0.03282 -0.15179 0.17622 0.04349 172 3PY 0.01231 -0.20971 0.34955 0.00180 -0.19118 173 3PZ -0.54576 -0.04405 -0.04147 -0.03455 0.06191 174 4XX 0.00460 -0.01125 0.00904 -0.00309 -0.00202 175 4YY 0.00280 0.02602 -0.01887 -0.00412 -0.03225 176 4ZZ -0.01175 -0.00352 0.02201 -0.00686 0.00179 177 4XY -0.00099 0.00622 0.01129 -0.00805 0.00315 178 4XZ -0.00249 -0.00644 -0.02838 0.00239 0.02355 179 4YZ 0.00144 -0.01785 -0.00998 0.01171 -0.00325 180 19 H 1S -0.02150 0.11382 0.05491 -0.05209 -0.04177 181 2S 0.21172 -0.05511 0.01235 0.08680 -0.10573 182 20 C 1S -0.00840 -0.01600 0.03448 -0.00581 0.02856 183 2S 0.06366 -0.08378 0.01281 0.02338 0.00565 184 2PX -0.12660 0.16650 0.00335 -0.00149 0.33385 185 2PY -0.04238 0.03677 0.10574 -0.09358 0.07987 186 2PZ 0.02669 -0.03934 0.20868 -0.02732 0.18213 187 3S 0.29918 0.52892 -0.63869 -0.15444 0.18401 188 3PX -0.00002 -0.25622 0.00268 -0.06782 -0.55646 189 3PY -0.06673 -0.40413 0.41970 0.29296 -0.15012 190 3PZ 0.47931 0.15681 -0.49589 -0.01651 -0.48659 191 4XX -0.00484 -0.00471 -0.03064 0.01999 -0.04025 192 4YY 0.01261 0.01917 0.00171 -0.02565 0.04149 193 4ZZ 0.00122 -0.03220 0.03681 -0.00198 0.03091 194 4XY 0.00796 0.00812 0.00520 -0.02374 -0.04120 195 4XZ -0.00104 0.01229 0.00249 -0.00595 -0.03056 196 4YZ 0.00863 0.01017 -0.03293 0.00045 0.00680 197 21 H 1S 0.02109 0.05072 0.16701 -0.15303 0.22882 198 2S 0.09801 0.10491 -0.23923 -0.05225 0.00406 199 22 C 1S 0.01812 0.00750 -0.01553 0.00183 -0.00782 200 2S 0.00020 0.04989 0.11707 -0.06930 0.15214 201 2PX -0.05293 0.06551 0.18370 -0.18174 0.21613 202 2PY -0.03386 -0.14781 0.27695 -0.04743 0.13867 203 2PZ 0.03543 0.16094 -0.18099 -0.04123 -0.08459 204 3S -0.55283 -0.26840 0.21366 0.12127 0.08074 205 3PX -0.11874 -0.03174 -0.15153 0.17608 -0.04347 206 3PY 0.01413 0.20965 -0.34960 -0.00178 -0.19122 207 3PZ 0.54538 -0.04938 -0.04162 -0.03441 -0.06195 208 4XX -0.00471 -0.01120 0.00904 -0.00309 0.00201 209 4YY -0.00256 0.02604 -0.01889 -0.00412 0.03225 210 4ZZ 0.01171 -0.00363 0.02202 -0.00687 -0.00177 211 4XY -0.00105 -0.00623 -0.01126 0.00805 0.00314 212 4XZ 0.00243 -0.00647 -0.02838 0.00240 -0.02356 213 4YZ 0.00161 0.01784 0.00996 -0.01170 -0.00327 214 23 H 1S 0.02257 0.11360 0.05490 -0.05215 0.04175 215 2S -0.21228 -0.05301 0.01231 0.08672 0.10571 81 82 83 84 85 V V V V V Eigenvalues -- 0.54428 0.54791 0.56137 0.56699 0.58445 1 1 C 1S 0.01558 -0.01698 -0.01243 0.00847 0.00510 2 2S -0.06362 0.04321 -0.02239 0.11739 0.26391 3 2PX -0.05286 0.21085 0.13583 -0.05389 -0.09310 4 2PY 0.15965 0.01276 -0.06818 0.04998 -0.07278 5 2PZ 0.28558 0.17853 -0.07857 -0.01991 -0.30994 6 3S 0.18244 1.11431 -0.09860 -0.01977 -0.21850 7 3PX 0.12742 0.05825 -0.19569 0.03646 0.06787 8 3PY -0.25731 0.88669 0.12270 -0.14795 0.07192 9 3PZ -0.31408 -0.38023 0.15851 0.00522 0.28804 10 4XX -0.00026 0.01571 -0.00801 -0.00824 0.00448 11 4YY 0.00979 0.01133 -0.00224 0.01883 0.02275 12 4ZZ -0.00539 -0.00642 -0.01445 0.02046 0.03705 13 4XY 0.01275 -0.01530 -0.00430 -0.00069 -0.01100 14 4XZ -0.02247 -0.00734 0.03473 -0.02550 -0.03457 15 4YZ -0.00239 -0.00415 0.00456 -0.01001 -0.01689 16 2 C 1S -0.01764 -0.00518 0.02358 0.00482 0.00432 17 2S -0.05547 0.11844 -0.12836 -0.08578 0.04993 18 2PX 0.06696 0.28180 0.01574 -0.15300 -0.18478 19 2PY -0.00513 -0.13283 -0.11400 0.05221 -0.01502 20 2PZ 0.14261 0.29828 0.01566 0.07132 0.04642 21 3S -0.16622 -0.15047 0.51910 0.13033 0.15112 22 3PX -0.05965 -0.47633 -0.07350 0.41955 0.42036 23 3PY -0.07347 -0.84596 0.00210 0.24536 0.08310 24 3PZ -0.16850 -0.32075 0.09999 -0.14292 -0.19794 25 4XX -0.02805 -0.00385 0.00361 0.00735 0.02138 26 4YY 0.00343 0.00635 -0.00249 -0.00334 -0.01080 27 4ZZ -0.02229 0.01779 0.01504 -0.02053 0.01225 28 4XY 0.00244 -0.00380 0.01244 0.00106 -0.01607 29 4XZ 0.04030 -0.00112 -0.04294 -0.00163 -0.02270 30 4YZ -0.01581 0.00650 -0.01187 -0.00576 0.01347 31 3 C 1S -0.00063 -0.02564 -0.02490 -0.00437 -0.00438 32 2S -0.16207 0.00352 -0.08304 0.05818 -0.08881 33 2PX 0.06418 0.10563 -0.19239 0.18049 0.15746 34 2PY 0.00467 0.02638 -0.28439 -0.07093 -0.05064 35 2PZ -0.13855 -0.00342 0.19716 0.16123 0.13359 36 3S 0.23928 1.05413 0.06028 -0.43052 -0.27398 37 3PX -0.03040 -0.33757 0.21077 -0.16430 -0.19153 38 3PY -0.02174 0.57455 0.36323 0.17303 0.18307 39 3PZ 0.20401 0.46067 -0.20828 -0.40483 -0.28359 40 4XX 0.00487 -0.00229 0.02855 0.00796 -0.00992 41 4YY -0.02372 0.00411 -0.04415 0.00182 -0.01025 42 4ZZ -0.01038 -0.00365 -0.01787 -0.01292 -0.00779 43 4XY -0.01859 0.00204 -0.00703 -0.01505 0.01941 44 4XZ -0.00908 -0.00070 0.03212 0.01176 0.06253 45 4YZ 0.00014 -0.00828 -0.01886 -0.00949 -0.01654 46 4 C 1S -0.00070 0.02566 -0.02490 -0.00439 -0.00438 47 2S -0.16203 -0.00379 -0.08312 0.05825 -0.08882 48 2PX 0.06434 -0.10539 -0.19273 0.18037 0.15746 49 2PY -0.00471 0.02619 0.28430 0.07090 0.05083 50 2PZ -0.13856 0.00310 0.19712 0.16121 0.13356 51 3S 0.24181 -1.05387 0.06027 -0.43042 -0.27364 52 3PX -0.03116 0.33711 0.21098 -0.16397 -0.19155 53 3PY 0.02038 0.57496 -0.36232 -0.17336 -0.18338 54 3PZ 0.20514 -0.46024 -0.20790 -0.40500 -0.28331 55 4XX 0.00485 0.00229 0.02854 0.00795 -0.00991 56 4YY -0.02370 -0.00414 -0.04416 0.00182 -0.01024 57 4ZZ -0.01038 0.00364 -0.01787 -0.01291 -0.00779 58 4XY 0.01861 0.00210 0.00707 0.01505 -0.01942 59 4XZ -0.00908 0.00067 0.03212 0.01175 0.06251 60 4YZ -0.00013 -0.00829 0.01886 0.00950 0.01658 61 5 C 1S -0.01764 0.00512 0.02358 0.00483 0.00432 62 2S -0.05528 -0.11848 -0.12845 -0.08590 0.05001 63 2PX 0.06753 -0.28163 0.01547 -0.15288 -0.18475 64 2PY 0.00542 -0.13312 0.11400 -0.05232 0.01486 65 2PZ 0.14324 -0.29795 0.01552 0.07131 0.04646 66 3S -0.16668 0.14977 0.51899 0.13047 0.15079 67 3PX -0.06077 0.47704 -0.07384 0.41985 0.42029 68 3PY 0.07545 -0.84561 -0.00231 -0.24496 -0.08264 69 3PZ -0.16917 0.32024 0.10060 -0.14312 -0.19795 70 4XX -0.02806 0.00380 0.00362 0.00733 0.02136 71 4YY 0.00346 -0.00635 -0.00251 -0.00332 -0.01078 72 4ZZ -0.02226 -0.01786 0.01503 -0.02054 0.01226 73 4XY -0.00246 -0.00380 -0.01243 -0.00106 0.01610 74 4XZ 0.04029 0.00123 -0.04295 -0.00162 -0.02269 75 4YZ 0.01583 0.00654 0.01185 0.00576 -0.01349 76 6 C 1S 0.01554 0.01703 -0.01243 0.00846 0.00510 77 2S -0.06352 -0.04330 -0.02244 0.11740 0.26390 78 2PX -0.05233 -0.21116 0.13557 -0.05382 -0.09314 79 2PY -0.15975 0.01210 0.06821 -0.05003 0.07275 80 2PZ 0.28594 -0.17785 -0.07871 -0.01991 -0.30992 81 3S 0.18508 -1.11376 -0.09868 -0.01977 -0.21839 82 3PX 0.12750 -0.05837 -0.19556 0.03642 0.06795 83 3PY 0.25539 0.88753 -0.12312 0.14822 -0.07195 84 3PZ -0.31494 0.37945 0.15895 0.00503 0.28800 85 4XX -0.00021 -0.01569 -0.00803 -0.00823 0.00447 86 4YY 0.00980 -0.01130 -0.00225 0.01881 0.02277 87 4ZZ -0.00541 0.00642 -0.01445 0.02046 0.03705 88 4XY -0.01273 -0.01533 0.00428 0.00067 0.01099 89 4XZ -0.02249 0.00727 0.03475 -0.02550 -0.03459 90 4YZ 0.00239 -0.00413 -0.00454 0.01000 0.01687 91 7 H 1S 0.13551 -0.00752 -0.16596 0.11288 0.10361 92 2S -0.03085 0.27178 0.02285 -0.05458 -0.03549 93 8 H 1S 0.03362 -0.07470 -0.18464 -0.13485 -0.19443 94 2S -0.05692 0.24134 0.04671 -0.08453 0.13648 95 9 H 1S 0.03345 0.07481 -0.18458 -0.13489 -0.19436 96 2S -0.05635 -0.24154 0.04672 -0.08458 0.13655 97 10 H 1S 0.13548 0.00796 -0.16599 0.11285 0.10362 98 2S -0.03022 -0.27188 0.02280 -0.05456 -0.03549 99 11 O 1S 0.00511 0.02339 0.00203 -0.01142 -0.00200 100 2S -0.03775 -0.04483 0.03283 0.02860 0.01876 101 2PX 0.03091 0.04812 0.03848 -0.05411 -0.09928 102 2PY 0.00714 -0.02898 0.01694 0.02910 -0.01560 103 2PZ -0.01509 0.06313 -0.05185 -0.01014 0.05809 104 3S -0.01957 -0.55722 -0.16350 0.17907 0.03155 105 3PX -0.00209 -0.03097 0.00451 -0.00227 -0.03408 106 3PY -0.03161 -0.24095 -0.07472 0.09861 0.02240 107 3PZ 0.00225 -0.01748 -0.02517 0.03374 0.03153 108 4XX -0.00048 0.00663 0.00814 -0.00146 -0.00572 109 4YY -0.01598 -0.00937 0.00766 0.00049 0.01710 110 4ZZ -0.00397 0.00232 0.01244 0.00049 0.00459 111 4XY 0.00006 0.01648 -0.00251 -0.01010 -0.00096 112 4XZ 0.00368 0.00642 -0.00100 0.00270 0.00017 113 4YZ 0.01041 0.01494 0.00617 0.00516 -0.00206 114 12 O 1S 0.00516 -0.02338 0.00202 -0.01142 -0.00200 115 2S -0.03783 0.04475 0.03288 0.02862 0.01879 116 2PX 0.03100 -0.04804 0.03850 -0.05407 -0.09928 117 2PY -0.00710 -0.02903 -0.01692 -0.02918 0.01553 118 2PZ -0.01498 -0.06317 -0.05188 -0.01015 0.05809 119 3S -0.02084 0.55739 -0.16345 0.17894 0.03151 120 3PX -0.00215 0.03114 0.00452 -0.00222 -0.03405 121 3PY 0.03212 -0.24096 0.07467 -0.09856 -0.02245 122 3PZ 0.00222 0.01752 -0.02524 0.03378 0.03154 123 4XX -0.00046 -0.00665 0.00815 -0.00147 -0.00571 124 4YY -0.01601 0.00936 0.00769 0.00049 0.01711 125 4ZZ -0.00397 -0.00233 0.01246 0.00050 0.00460 126 4XY -0.00008 0.01648 0.00251 0.01010 0.00093 127 4XZ 0.00371 -0.00643 -0.00100 0.00270 0.00016 128 4YZ -0.01044 0.01490 -0.00616 -0.00515 0.00206 129 13 C 1S -0.00322 0.00000 0.00834 -0.02655 0.02405 130 2S -0.11001 -0.00013 -0.13845 0.15491 -0.19069 131 2PX 0.21444 0.00010 0.36081 -0.31461 0.22037 132 2PY -0.00001 0.08307 -0.00003 -0.00019 0.00020 133 2PZ -0.25925 -0.00030 -0.06542 0.25710 -0.36994 134 3S 0.61469 0.00072 0.08232 -0.07775 0.34430 135 3PX -0.55654 -0.00052 -0.40763 0.58062 -0.29429 136 3PY -0.00019 -0.02468 0.00008 0.00026 -0.00025 137 3PZ 0.89007 0.00111 -0.16130 -0.25239 0.65327 138 4XX -0.03120 -0.00004 0.03387 -0.01922 -0.04062 139 4YY -0.00449 -0.00002 0.02006 0.04725 -0.00862 140 4ZZ 0.04033 0.00006 -0.05780 -0.03573 0.04943 141 4XY 0.00000 -0.01166 0.00001 -0.00003 -0.00001 142 4XZ 0.02654 0.00001 0.04087 0.00754 -0.00699 143 4YZ -0.00001 0.02037 0.00003 0.00002 -0.00001 144 14 H 1S -0.07064 -0.00006 0.06984 -0.07474 -0.03114 145 2S 0.04523 0.00012 -0.12123 -0.06580 0.17300 146 15 H 1S 0.17680 0.00021 -0.15176 -0.25879 0.26524 147 2S 0.20714 0.00025 -0.07837 0.04293 0.02784 148 16 C 1S 0.01214 -0.01016 -0.02083 0.02234 -0.01879 149 2S -0.07145 0.12389 -0.11698 -0.14036 -0.02395 150 2PX -0.07595 -0.11782 -0.12687 0.23724 0.18562 151 2PY 0.04607 -0.02144 0.09453 -0.02327 0.06737 152 2PZ -0.05561 0.21898 -0.09299 0.17533 -0.12967 153 3S -0.53960 0.22164 0.27757 0.41287 -0.04644 154 3PX 0.05779 0.05711 0.30139 -0.50106 -0.37309 155 3PY -0.59552 0.28907 0.03427 -0.04568 -0.08897 156 3PZ -0.19861 -0.12929 0.28209 -0.45200 0.14084 157 4XX 0.02245 -0.00842 0.02509 -0.01236 0.01838 158 4YY -0.04299 0.00735 -0.06932 -0.02893 -0.01522 159 4ZZ -0.00201 0.01430 0.00909 0.03884 -0.02741 160 4XY -0.01432 -0.01848 -0.03005 0.03761 -0.01503 161 4XZ 0.00273 -0.00765 0.01564 -0.03801 0.02667 162 4YZ 0.02959 -0.00025 -0.02706 -0.02161 0.03937 163 17 H 1S -0.00390 0.03768 -0.20865 -0.12323 0.07602 164 2S -0.21986 0.12937 0.18621 -0.00724 -0.03041 165 18 C 1S -0.01299 0.05387 0.00289 -0.01885 0.00485 166 2S -0.30962 0.02827 -0.10839 0.04413 -0.07273 167 2PX -0.29735 -0.12703 -0.13675 -0.08781 -0.10340 168 2PY -0.21647 -0.24117 0.12253 -0.06881 -0.04870 169 2PZ -0.19876 -0.10842 -0.03039 -0.26696 0.06078 170 3S 0.55672 -0.76131 0.07171 0.11074 -0.07596 171 3PX 0.27756 0.04211 -0.02295 0.21250 0.10542 172 3PY 0.31117 -0.21663 -0.23701 0.05886 0.08343 173 3PZ 0.00715 0.45826 0.22931 0.23952 0.01431 174 4XX 0.01451 -0.03968 -0.00335 0.00792 0.01462 175 4YY -0.07192 0.05184 0.00117 0.00423 -0.02110 176 4ZZ -0.01437 0.03245 -0.02555 -0.02718 -0.00078 177 4XY -0.01745 0.00044 -0.03172 -0.01702 0.01364 178 4XZ 0.01945 -0.02017 0.02268 0.01286 -0.01703 179 4YZ -0.00978 -0.00024 0.02396 0.04522 -0.04673 180 19 H 1S -0.08823 0.22792 -0.18130 -0.25049 0.14221 181 2S 0.05645 -0.23294 -0.08442 0.15880 -0.15170 182 20 C 1S 0.01212 0.01019 -0.02084 0.02233 -0.01877 183 2S -0.07118 -0.12389 -0.11709 -0.14029 -0.02393 184 2PX -0.07614 0.11787 -0.12694 0.23726 0.18563 185 2PY -0.04605 -0.02146 -0.09452 0.02330 -0.06725 186 2PZ -0.05521 -0.21881 -0.09336 0.17547 -0.12969 187 3S -0.53935 -0.22303 0.27733 0.41285 -0.04650 188 3PX 0.05757 -0.05749 0.30179 -0.50111 -0.37314 189 3PY 0.59512 0.29046 -0.03420 0.04552 0.08884 190 3PZ -0.19872 0.12850 0.28252 -0.45203 0.14076 191 4XX 0.02242 0.00846 0.02508 -0.01231 0.01836 192 4YY -0.04295 -0.00743 -0.06933 -0.02899 -0.01517 193 4ZZ -0.00199 -0.01431 0.00908 0.03885 -0.02742 194 4XY 0.01441 -0.01847 0.03013 -0.03760 0.01506 195 4XZ 0.00274 0.00765 0.01565 -0.03801 0.02668 196 4YZ -0.02960 -0.00033 0.02704 0.02157 -0.03934 197 21 H 1S -0.00386 -0.03760 -0.20873 -0.12331 0.07609 198 2S -0.21961 -0.12995 0.18614 -0.00712 -0.03047 199 22 C 1S -0.01289 -0.05389 0.00284 -0.01882 0.00485 200 2S -0.30956 -0.02869 -0.10847 0.04408 -0.07268 201 2PX -0.29777 0.12678 -0.13667 -0.08782 -0.10345 202 2PY 0.21677 -0.24060 -0.12286 0.06888 0.04863 203 2PZ -0.19892 0.10804 -0.03034 -0.26686 0.06073 204 3S 0.55533 0.76233 0.07206 0.11070 -0.07592 205 3PX 0.27788 -0.04154 -0.02316 0.21239 0.10555 206 3PY -0.31060 -0.21742 0.23706 -0.05877 -0.08335 207 3PZ 0.00788 -0.45846 0.22903 0.23957 0.01430 208 4XX 0.01442 0.03971 -0.00335 0.00789 0.01463 209 4YY -0.07181 -0.05197 0.00115 0.00428 -0.02113 210 4ZZ -0.01431 -0.03242 -0.02560 -0.02718 -0.00075 211 4XY 0.01750 0.00051 0.03171 0.01702 -0.01361 212 4XZ 0.01941 0.02015 0.02274 0.01286 -0.01706 213 4YZ 0.00978 -0.00021 -0.02394 -0.04520 0.04672 214 23 H 1S -0.08779 -0.22790 -0.18154 -0.25040 0.14222 215 2S 0.05603 0.23305 -0.08427 0.15864 -0.15169 86 87 88 89 90 V V V V V Eigenvalues -- 0.60220 0.61797 0.62439 0.64904 0.65689 1 1 C 1S 0.00983 -0.00511 0.01126 -0.01805 -0.01630 2 2S -0.02506 0.02297 0.06431 -0.00348 -0.16506 3 2PX -0.01202 0.12663 -0.29888 -0.23983 0.05214 4 2PY 0.07191 -0.03961 0.01451 0.10583 0.29860 5 2PZ 0.15561 0.11747 -0.21873 -0.25834 0.35301 6 3S 0.09688 0.38638 -0.08232 0.33351 0.28009 7 3PX 0.01837 -0.01041 0.41908 0.23736 -0.17209 8 3PY -0.12504 0.29748 0.00881 0.72799 -0.07551 9 3PZ -0.21008 -0.30493 0.28451 0.75165 -0.38066 10 4XX 0.00860 -0.00089 -0.00673 -0.00924 0.01460 11 4YY 0.00071 0.01393 0.00551 -0.01469 -0.07393 12 4ZZ 0.00106 -0.00444 0.03069 -0.00053 -0.00601 13 4XY 0.00588 -0.00500 -0.01364 -0.00256 0.00677 14 4XZ -0.02306 -0.00415 -0.03053 0.03179 0.01449 15 4YZ 0.00239 -0.00066 -0.02796 0.01400 -0.01290 16 2 C 1S 0.00640 -0.00505 -0.00776 -0.01621 0.01550 17 2S -0.10533 0.06333 0.02878 0.17517 -0.14563 18 2PX -0.11775 0.07423 0.22222 0.03763 0.13475 19 2PY 0.15948 -0.07523 -0.04057 -0.33179 0.30669 20 2PZ 0.06836 0.07314 0.35350 -0.01936 -0.01905 21 3S -0.32796 -0.17801 -0.28497 0.11279 -0.50663 22 3PX 0.15073 -0.06335 -0.50772 -0.69830 -0.68208 23 3PY 0.12634 -0.29399 0.02134 0.05606 -0.44946 24 3PZ -0.00671 -0.09720 -0.48610 0.38547 0.43509 25 4XX -0.01889 0.00372 -0.01838 0.02705 -0.02158 26 4YY 0.01326 -0.01365 0.00779 -0.05166 0.04918 27 4ZZ -0.02154 0.00249 -0.00519 0.02622 -0.04183 28 4XY 0.00704 -0.00377 -0.01944 -0.01226 0.02878 29 4XZ 0.02295 -0.00767 0.01393 -0.01714 0.03377 30 4YZ -0.00852 0.00492 -0.00028 -0.00600 -0.00273 31 3 C 1S 0.00080 -0.00939 -0.00433 -0.00617 0.01992 32 2S -0.07061 -0.02271 -0.13132 -0.06496 -0.11284 33 2PX -0.06120 0.08480 0.10138 0.02984 -0.12174 34 2PY 0.08433 -0.05326 0.12929 -0.21505 -0.20589 35 2PZ -0.04700 0.02427 -0.05768 0.14848 -0.04701 36 3S 0.26794 0.58508 0.52467 0.71424 0.57841 37 3PX 0.04278 -0.22650 -0.03557 -0.19843 0.05269 38 3PY -0.28087 0.50918 -0.39547 0.11168 -0.36338 39 3PZ -0.06532 0.29855 0.23772 0.35133 0.63384 40 4XX 0.03418 -0.01959 0.00224 -0.02770 -0.01751 41 4YY 0.00114 0.01512 0.00252 0.03457 0.01895 42 4ZZ -0.02808 -0.00386 -0.02758 -0.00807 0.01279 43 4XY -0.03750 0.00310 0.00289 0.01803 -0.00455 44 4XZ -0.00445 -0.00506 0.00765 0.00854 -0.04773 45 4YZ -0.01339 -0.00127 0.00879 -0.00204 0.01308 46 4 C 1S 0.00077 0.00940 -0.00432 0.00616 -0.01992 47 2S -0.07053 0.02290 -0.13124 0.06490 0.11285 48 2PX -0.06125 -0.08494 0.10125 -0.02962 0.12194 49 2PY -0.08463 -0.05306 -0.12926 -0.21495 -0.20578 50 2PZ -0.04703 -0.02414 -0.05765 -0.14839 0.04703 51 3S 0.26806 -0.58594 0.52360 -0.71413 -0.57820 52 3PX 0.04296 0.22632 -0.03546 0.19837 -0.05270 53 3PY 0.28063 0.50864 0.39658 0.11169 -0.36337 54 3PZ -0.06551 -0.29882 0.23739 -0.35130 -0.63381 55 4XX 0.03416 0.01958 0.00227 0.02767 0.01753 56 4YY 0.00113 -0.01513 0.00250 -0.03457 -0.01897 57 4ZZ -0.02806 0.00392 -0.02758 0.00808 -0.01278 58 4XY 0.03753 0.00312 -0.00289 0.01805 -0.00455 59 4XZ -0.00444 0.00506 0.00768 -0.00853 0.04771 60 4YZ 0.01340 -0.00127 -0.00878 -0.00206 0.01310 61 5 C 1S 0.00642 0.00505 -0.00775 0.01621 -0.01547 62 2S -0.10551 -0.06336 0.02868 -0.17515 0.14551 63 2PX -0.11752 -0.07445 0.22203 -0.03722 -0.13488 64 2PY -0.15954 -0.07525 0.04077 -0.33171 0.30632 65 2PZ 0.06843 -0.07370 0.35346 0.01945 0.01908 66 3S -0.32751 0.17873 -0.28442 -0.11260 0.50639 67 3PX 0.15099 0.06422 -0.50794 0.69797 0.68220 68 3PY -0.12605 -0.29389 -0.02218 0.05661 -0.44847 69 3PZ -0.00702 0.09799 -0.48585 -0.38557 -0.43497 70 4XX -0.01891 -0.00368 -0.01841 -0.02705 0.02152 71 4YY 0.01328 0.01363 0.00782 0.05165 -0.04910 72 4ZZ -0.02155 -0.00247 -0.00519 -0.02620 0.04182 73 4XY -0.00708 -0.00382 0.01941 -0.01232 0.02883 74 4XZ 0.02296 0.00763 0.01393 0.01713 -0.03376 75 4YZ 0.00854 0.00492 0.00031 -0.00599 -0.00276 76 6 C 1S 0.00981 0.00509 0.01126 0.01805 0.01629 77 2S -0.02501 -0.02307 0.06427 0.00353 0.16505 78 2PX -0.01174 -0.12614 -0.29917 0.23965 -0.05239 79 2PY -0.07193 -0.03965 -0.01483 0.10602 0.29864 80 2PZ 0.15579 -0.11720 -0.21904 0.25815 -0.35303 81 3S 0.09695 -0.38634 -0.08267 -0.33364 -0.28005 82 3PX 0.01810 0.00953 0.41919 -0.23774 0.17225 83 3PY 0.12520 0.29745 -0.00851 0.72779 -0.07556 84 3PZ -0.21053 0.30463 0.28537 -0.75134 0.38064 85 4XX 0.00862 0.00090 -0.00675 0.00923 -0.01460 86 4YY 0.00070 -0.01394 0.00549 0.01470 0.07393 87 4ZZ 0.00105 0.00439 0.03069 0.00054 0.00601 88 4XY -0.00587 -0.00501 0.01363 -0.00255 0.00672 89 4XZ -0.02305 0.00421 -0.03053 -0.03179 -0.01448 90 4YZ -0.00239 -0.00070 0.02793 0.01400 -0.01291 91 7 H 1S 0.10514 0.00609 0.14211 -0.09980 -0.13609 92 2S -0.02343 0.13958 -0.03302 0.09934 -0.07101 93 8 H 1S -0.10085 0.03127 -0.02678 0.07423 0.19890 94 2S -0.22113 0.25403 -0.09132 0.23298 -0.06300 95 9 H 1S -0.10095 -0.03118 -0.02684 -0.07421 -0.19890 96 2S -0.22117 -0.25379 -0.09166 -0.23290 0.06302 97 10 H 1S 0.10511 -0.00636 0.14205 0.09975 0.13600 98 2S -0.02336 -0.13953 -0.03318 -0.09934 0.07110 99 11 O 1S -0.01506 0.00688 0.00195 0.01851 -0.01037 100 2S 0.00150 -0.01245 -0.00984 -0.00035 0.03126 101 2PX -0.06038 0.04072 -0.00778 0.05857 0.16347 102 2PY 0.06280 -0.02630 -0.00933 -0.13038 0.12305 103 2PZ -0.00972 0.02831 0.10090 -0.01413 -0.06203 104 3S 0.26855 -0.15355 -0.00344 -0.18905 -0.10480 105 3PX 0.05652 -0.03968 0.05162 0.04544 0.06284 106 3PY 0.15022 -0.05967 -0.01387 -0.14991 0.05977 107 3PZ 0.02230 -0.01980 0.03433 -0.07772 -0.06971 108 4XX -0.00020 -0.00041 -0.00286 -0.01515 0.02698 109 4YY -0.02791 0.00960 -0.00974 0.07221 -0.05858 110 4ZZ -0.00959 -0.00417 0.01037 0.01081 0.01029 111 4XY -0.01072 0.00518 0.02251 0.01711 -0.01937 112 4XZ -0.00073 0.00200 0.00259 0.00193 -0.00283 113 4YZ 0.00167 0.00489 0.01495 0.00743 -0.00225 114 12 O 1S -0.01506 -0.00688 0.00195 -0.01850 0.01036 115 2S 0.00148 0.01248 -0.00984 0.00040 -0.03120 116 2PX -0.06030 -0.04065 -0.00784 -0.05840 -0.16355 117 2PY -0.06291 -0.02632 0.00932 -0.13040 0.12280 118 2PZ -0.00971 -0.02847 0.10087 0.01413 0.06203 119 3S 0.26834 0.15339 -0.00335 0.18884 0.10462 120 3PX 0.05656 0.03962 0.05170 -0.04535 -0.06285 121 3PY -0.15006 -0.05957 0.01393 -0.14985 0.05967 122 3PZ 0.02233 0.01973 0.03432 0.07773 0.06971 123 4XX -0.00020 0.00041 -0.00284 0.01514 -0.02694 124 4YY -0.02794 -0.00956 -0.00977 -0.07217 0.05851 125 4ZZ -0.00959 0.00416 0.01038 -0.01078 -0.01026 126 4XY 0.01075 0.00522 -0.02250 0.01717 -0.01944 127 4XZ -0.00072 -0.00200 0.00260 -0.00193 0.00283 128 4YZ -0.00167 0.00491 -0.01495 0.00742 -0.00224 129 13 C 1S 0.00447 0.00002 -0.01790 0.00000 0.00000 130 2S -0.31229 -0.00006 0.05842 0.00006 -0.00005 131 2PX 0.23512 0.00014 0.06772 0.00010 0.00011 132 2PY -0.00006 -0.38684 -0.00028 -0.24656 -0.16968 133 2PZ -0.28243 -0.00024 0.22373 0.00009 -0.00004 134 3S 1.09455 0.00021 -0.38220 -0.00036 0.00019 135 3PX -0.95363 -0.00002 -0.22786 -0.00007 -0.00023 136 3PY -0.00013 0.48113 0.00022 0.70210 0.29956 137 3PZ 1.19653 0.00031 -0.46915 -0.00052 0.00015 138 4XX -0.02371 -0.00001 0.01257 0.00002 -0.00001 139 4YY 0.01333 0.00000 -0.01328 -0.00003 0.00001 140 4ZZ -0.01646 0.00003 -0.02267 0.00001 0.00000 141 4XY -0.00002 0.00383 0.00002 -0.01886 0.00122 142 4XZ 0.02481 -0.00003 0.02292 -0.00003 -0.00001 143 4YZ 0.00003 0.01264 0.00001 0.03406 -0.00146 144 14 H 1S 0.10950 0.00001 -0.00716 -0.00007 0.00001 145 2S 0.18573 0.00000 0.04000 0.00001 0.00006 146 15 H 1S 0.01084 0.00011 -0.06342 0.00000 0.00003 147 2S 0.41478 -0.00002 -0.06822 -0.00027 0.00005 148 16 C 1S -0.02290 0.03432 -0.00617 0.00442 0.01687 149 2S 0.19863 -0.20262 -0.06080 -0.05866 0.06545 150 2PX 0.04271 0.00738 -0.28268 -0.35685 -0.16083 151 2PY 0.26042 -0.09552 -0.08528 -0.10330 0.02539 152 2PZ 0.32257 -0.28752 0.02385 -0.11282 -0.08711 153 3S -0.94903 -0.04262 0.12253 0.54743 -0.31908 154 3PX 0.03225 -0.03915 0.50785 0.64238 0.47765 155 3PY -0.98066 -0.09710 0.22143 0.63127 -0.21893 156 3PZ -0.47953 -0.06046 0.06854 0.17402 -0.00833 157 4XX 0.03087 -0.01175 -0.00321 -0.01246 -0.00548 158 4YY -0.07458 0.01290 -0.01469 0.00959 0.01950 159 4ZZ 0.01472 -0.00332 0.00007 0.01395 0.00599 160 4XY 0.01277 -0.00989 0.00251 -0.01550 0.00688 161 4XZ 0.04136 -0.04081 0.01040 -0.01707 -0.00951 162 4YZ 0.00585 -0.00054 -0.03058 -0.01493 -0.00243 163 17 H 1S -0.24664 0.11716 -0.13039 0.12558 0.06035 164 2S -0.18134 -0.17716 0.12308 0.23263 -0.13847 165 18 C 1S 0.02869 -0.06888 0.00513 0.00464 -0.00617 166 2S 0.14252 0.13863 0.04228 -0.00223 0.01723 167 2PX 0.20475 -0.39575 -0.01148 0.16652 0.16392 168 2PY 0.10901 0.25966 0.16027 -0.13271 -0.03165 169 2PZ 0.15907 -0.23956 0.04339 -0.04019 0.01885 170 3S 0.19203 0.40315 0.05750 -0.41046 0.33658 171 3PX -0.21320 0.80976 -0.09075 -0.48763 -0.31631 172 3PY 0.00697 0.02042 -0.31054 -0.20660 0.11739 173 3PZ -0.32589 -0.21995 -0.03416 0.26135 -0.33344 174 4XX -0.00414 0.03566 -0.01493 -0.00615 -0.00465 175 4YY 0.01734 -0.05318 0.03177 0.01743 0.00527 176 4ZZ 0.06069 -0.02795 -0.00984 -0.01634 0.00264 177 4XY 0.00991 0.00361 -0.02363 -0.00630 -0.00071 178 4XZ -0.06456 0.04708 0.00315 0.02060 0.00493 179 4YZ 0.04781 0.00283 0.01925 0.00129 -0.00447 180 19 H 1S 0.07306 -0.22699 -0.03430 -0.01175 0.00757 181 2S 0.07479 0.41443 -0.02323 -0.17671 0.08535 182 20 C 1S -0.02292 -0.03432 -0.00624 -0.00443 -0.01687 183 2S 0.19873 0.20270 -0.06051 0.05850 -0.06538 184 2PX 0.04290 -0.00691 -0.28288 0.35668 0.16091 185 2PY -0.26066 -0.09575 0.08510 -0.10302 0.02540 186 2PZ 0.32268 0.28729 0.02423 0.11260 0.08703 187 3S -0.94900 0.04276 0.12293 -0.54662 0.31898 188 3PX 0.03155 0.03848 0.50833 -0.64244 -0.47777 189 3PY 0.98121 -0.09700 -0.22187 0.63021 -0.21909 190 3PZ -0.47904 0.06082 0.06885 -0.17333 0.00842 191 4XX 0.03089 0.01176 -0.00318 0.01245 0.00547 192 4YY -0.07459 -0.01287 -0.01474 -0.00956 -0.01950 193 4ZZ 0.01470 0.00330 0.00010 -0.01399 -0.00598 194 4XY -0.01271 -0.00986 -0.00253 -0.01548 0.00690 195 4XZ 0.04139 0.04081 0.01044 0.01708 0.00952 196 4YZ -0.00585 -0.00057 0.03059 -0.01490 -0.00244 197 21 H 1S -0.24676 -0.11684 -0.13056 -0.12554 -0.06034 198 2S -0.18142 0.17705 0.12359 -0.23233 0.13848 199 22 C 1S 0.02873 0.06887 0.00524 -0.00464 0.00617 200 2S 0.14242 -0.13871 0.04204 0.00218 -0.01719 201 2PX 0.20471 0.39555 -0.01068 -0.16655 -0.16393 202 2PY -0.10883 0.26012 -0.15984 -0.13289 -0.03172 203 2PZ 0.15911 0.23956 0.04375 0.04024 -0.01889 204 3S 0.19186 -0.40361 0.05652 0.41018 -0.33665 205 3PX -0.21325 -0.80966 -0.09247 0.48774 0.31627 206 3PY -0.00730 0.01936 0.31063 -0.20610 0.11750 207 3PZ -0.32555 0.22018 -0.03356 -0.26127 0.33357 208 4XX -0.00416 -0.03564 -0.01500 0.00614 0.00465 209 4YY 0.01737 0.05313 0.03189 -0.01743 -0.00527 210 4ZZ 0.06070 0.02797 -0.00983 0.01632 -0.00264 211 4XY -0.00992 0.00352 0.02360 -0.00626 -0.00070 212 4XZ -0.06456 -0.04707 0.00310 -0.02059 -0.00494 213 4YZ -0.04785 0.00287 -0.01924 0.00130 -0.00446 214 23 H 1S 0.07323 0.22711 -0.03400 0.01177 -0.00761 215 2S 0.07458 -0.41450 -0.02394 0.17660 -0.08541 91 92 93 94 95 V V V V V Eigenvalues -- 0.66459 0.67570 0.69243 0.72477 0.72867 1 1 C 1S 0.01502 0.02606 0.00822 0.00163 0.02475 2 2S 0.07839 -0.06438 0.04773 0.13281 -0.09056 3 2PX 0.12769 -0.31335 0.01824 0.08894 0.32955 4 2PY 0.05413 -0.02865 0.01950 -0.12127 -0.21651 5 2PZ 0.02572 -0.17832 0.02214 0.04796 0.12006 6 3S -0.26187 -0.31779 -0.19717 0.20386 -0.20356 7 3PX -0.31041 0.73045 0.00744 0.12341 -0.67672 8 3PY -0.15269 -0.76802 0.00454 0.24207 -0.20790 9 3PZ 0.09809 0.23445 0.04313 -0.34194 -0.29332 10 4XX 0.00192 0.00423 -0.00879 0.04127 0.00257 11 4YY 0.02729 -0.00622 0.01020 -0.00654 0.03864 12 4ZZ -0.00758 0.01632 0.00751 0.00376 -0.03162 13 4XY 0.03047 0.01077 0.01926 0.00610 -0.00098 14 4XZ -0.00535 -0.04125 -0.01068 -0.05160 -0.01383 15 4YZ -0.02180 -0.01048 -0.00816 0.01895 -0.00128 16 2 C 1S -0.04844 0.01151 -0.01405 0.02530 -0.00732 17 2S 0.14688 -0.11140 0.07607 -0.02172 -0.06385 18 2PX -0.20859 0.15828 0.02865 -0.18082 -0.01487 19 2PY -0.60258 0.41735 -0.21596 0.12970 -0.06536 20 2PZ -0.03865 0.21108 0.14074 0.16004 0.07264 21 3S 0.65544 -1.00300 0.04684 0.20744 -0.34204 22 3PX 0.45924 -0.20433 -0.17787 0.44511 0.34209 23 3PY 0.96086 -0.30775 0.44032 -1.01469 0.51383 24 3PZ -0.03087 -0.44419 -0.20566 -0.61008 0.00427 25 4XX 0.02968 -0.04551 0.01852 -0.02024 0.00769 26 4YY -0.09017 0.04740 -0.02690 0.06432 -0.07775 27 4ZZ 0.03646 -0.02673 0.00505 0.01081 0.01362 28 4XY -0.01867 -0.01198 -0.00591 0.01385 -0.01409 29 4XZ -0.00308 0.03607 -0.00024 -0.01657 0.01452 30 4YZ -0.01537 0.01397 -0.01150 0.01763 0.02584 31 3 C 1S 0.00278 0.00268 0.00865 -0.01226 -0.00260 32 2S -0.04939 -0.16093 0.11016 -0.01965 -0.15816 33 2PX -0.08767 0.35185 -0.15393 -0.24378 0.28077 34 2PY 0.00794 0.12321 0.08390 -0.16295 -0.03538 35 2PZ 0.00963 -0.07423 -0.05413 -0.36016 0.06335 36 3S -0.45985 0.06392 -0.15248 -0.48572 0.07543 37 3PX 0.30552 -0.63675 0.26054 0.13122 -0.59344 38 3PY 0.03359 -0.61323 -0.21634 0.58829 0.00078 39 3PZ -0.25519 0.30291 0.06925 0.56403 -0.10496 40 4XX -0.01448 0.00499 -0.00030 0.00605 -0.03365 41 4YY 0.00961 -0.03350 0.03163 -0.02100 0.00025 42 4ZZ -0.01373 0.00215 -0.00784 -0.00812 0.00834 43 4XY -0.02643 -0.00825 -0.01513 0.01817 0.00444 44 4XZ 0.03845 -0.00491 -0.01401 0.03803 0.03840 45 4YZ 0.01728 0.00781 0.02984 -0.00991 -0.00082 46 4 C 1S 0.00277 -0.00268 0.00866 -0.01227 0.00258 47 2S -0.04938 0.16094 0.11009 -0.01990 0.15817 48 2PX -0.08754 -0.35199 -0.15372 -0.24345 -0.28115 49 2PY -0.00813 0.12299 -0.08404 0.16330 -0.03535 50 2PZ 0.00962 0.07428 -0.05405 -0.36000 -0.06380 51 3S -0.46006 -0.06414 -0.15284 -0.48345 -0.07607 52 3PX 0.30547 0.63734 0.26027 0.13041 0.59377 53 3PY -0.03346 -0.61286 0.21669 -0.59042 0.00043 54 3PZ -0.25536 -0.30310 0.06886 0.56426 0.10569 55 4XX -0.01450 -0.00500 -0.00033 0.00601 0.03365 56 4YY 0.00962 0.03350 0.03163 -0.02094 -0.00027 57 4ZZ -0.01373 -0.00215 -0.00784 -0.00812 -0.00835 58 4XY 0.02641 -0.00828 0.01511 -0.01816 0.00445 59 4XZ 0.03848 0.00492 -0.01397 0.03804 -0.03837 60 4YZ -0.01725 0.00780 -0.02985 0.00993 -0.00086 61 5 C 1S -0.04845 -0.01152 -0.01405 0.02533 0.00735 62 2S 0.14693 0.11144 0.07595 -0.02158 0.06382 63 2PX -0.20900 -0.15859 0.02848 -0.18097 0.01467 64 2PY 0.60252 0.41742 0.21584 -0.13003 -0.06540 65 2PZ -0.03859 -0.21104 0.14084 0.16006 -0.07246 66 3S 0.65553 1.00327 0.04681 0.20665 0.34256 67 3PX 0.46014 0.20467 -0.17715 0.44519 -0.34199 68 3PY -0.96075 -0.30798 -0.44048 1.01637 0.51469 69 3PZ -0.03120 0.44409 -0.20598 -0.61020 -0.00499 70 4XX 0.02966 0.04554 0.01851 -0.02019 -0.00769 71 4YY -0.09016 -0.04744 -0.02688 0.06429 0.07781 72 4ZZ 0.03647 0.02674 0.00503 0.01083 -0.01361 73 4XY 0.01879 -0.01190 0.00595 -0.01392 -0.01418 74 4XZ -0.00310 -0.03608 -0.00024 -0.01658 -0.01456 75 4YZ 0.01536 0.01396 0.01149 -0.01769 0.02581 76 6 C 1S 0.01504 -0.02605 0.00824 0.00167 -0.02475 77 2S 0.07846 0.06442 0.04771 0.13284 0.09077 78 2PX 0.12767 0.31341 0.01832 0.08919 -0.32930 79 2PY -0.05388 -0.02847 -0.01940 0.12178 -0.21656 80 2PZ 0.02553 0.17832 0.02219 0.04810 -0.12004 81 3S -0.26213 0.31771 -0.19729 0.20532 0.20358 82 3PX -0.31033 -0.73000 0.00741 0.12339 0.67702 83 3PY 0.15261 -0.76843 -0.00419 -0.24305 -0.20785 84 3PZ 0.09834 -0.23443 0.04288 -0.34296 0.29297 85 4XX 0.00195 -0.00425 -0.00877 0.04128 -0.00252 86 4YY 0.02729 0.00624 0.01019 -0.00644 -0.03865 87 4ZZ -0.00758 -0.01632 0.00751 0.00374 0.03163 88 4XY -0.03049 0.01075 -0.01928 -0.00605 -0.00097 89 4XZ -0.00538 0.04126 -0.01070 -0.05165 0.01377 90 4YZ 0.02180 -0.01044 0.00816 -0.01898 -0.00128 91 7 H 1S 0.18905 0.11060 0.15227 0.11302 0.14326 92 2S -0.20184 -0.22772 -0.04641 0.16358 -0.20030 93 8 H 1S 0.01613 -0.06505 0.12346 -0.16221 0.01108 94 2S -0.10269 -0.04564 -0.10157 0.52536 0.08643 95 9 H 1S 0.01602 0.06506 0.12341 -0.16213 -0.01121 96 2S -0.10264 0.04563 -0.10174 0.52590 -0.08579 97 10 H 1S 0.18913 -0.11053 0.15235 0.11328 -0.14305 98 2S -0.20187 0.22764 -0.04648 0.16384 0.20049 99 11 O 1S 0.02530 -0.02025 0.00464 0.00961 -0.01166 100 2S -0.08841 0.04653 -0.05676 -0.05132 0.12023 101 2PX -0.05783 -0.00260 -0.04860 -0.02244 0.00938 102 2PY -0.25315 0.13037 -0.08631 0.15062 -0.12280 103 2PZ -0.01017 0.10577 0.02775 0.13093 0.09634 104 3S 0.24008 0.11309 0.21891 -0.53268 0.26066 105 3PX -0.05623 0.03538 0.07539 -0.11279 -0.05169 106 3PY -0.13399 0.21072 -0.01048 -0.28316 0.30129 107 3PZ -0.00406 0.04624 0.01285 -0.03107 -0.02072 108 4XX -0.03313 0.00793 -0.01522 -0.00393 0.02599 109 4YY 0.10752 -0.06826 0.02263 -0.07175 0.07918 110 4ZZ -0.03516 0.03818 -0.02994 -0.00466 0.02050 111 4XY 0.01351 0.00326 0.01142 -0.02153 0.00858 112 4XZ 0.00387 -0.00540 0.00640 0.00341 -0.00110 113 4YZ 0.01489 -0.00578 0.01526 -0.00181 -0.00051 114 12 O 1S 0.02531 0.02025 0.00463 0.00961 0.01168 115 2S -0.08842 -0.04653 -0.05671 -0.05119 -0.12029 116 2PX -0.05809 0.00253 -0.04865 -0.02239 -0.00936 117 2PY 0.25315 0.13046 0.08626 -0.15067 -0.12298 118 2PZ -0.01012 -0.10577 0.02782 0.13099 -0.09622 119 3S 0.24017 -0.11300 0.21893 -0.53323 -0.26134 120 3PX -0.05634 -0.03556 0.07531 -0.11312 0.05140 121 3PY 0.13395 0.21072 0.01042 0.28302 0.30174 122 3PZ -0.00401 -0.04623 0.01287 -0.03109 0.02071 123 4XX -0.03312 -0.00794 -0.01519 -0.00393 -0.02601 124 4YY 0.10752 0.06831 0.02261 -0.07169 -0.07924 125 4ZZ -0.03516 -0.03818 -0.02992 -0.00463 -0.02051 126 4XY -0.01365 0.00319 -0.01145 0.02161 0.00865 127 4XZ 0.00389 0.00541 0.00640 0.00343 0.00111 128 4YZ -0.01489 -0.00578 -0.01526 0.00182 -0.00051 129 13 C 1S -0.01594 0.00001 0.04151 -0.00520 0.00001 130 2S 0.09791 0.00000 -0.18359 0.00833 -0.00002 131 2PX -0.09713 0.00002 0.20671 -0.05856 -0.00005 132 2PY -0.00013 -0.03187 0.00008 -0.00035 0.16902 133 2PZ 0.00742 0.00002 0.02529 0.08734 0.00010 134 3S -0.42745 -0.00004 0.76025 -0.54825 -0.00025 135 3PX 0.30029 -0.00004 -0.68824 0.37114 0.00026 136 3PY 0.00028 0.25597 -0.00028 0.00109 -0.41424 137 3PZ -0.07680 -0.00015 -0.06021 -0.60986 -0.00057 138 4XX -0.00048 0.00003 0.05827 0.08429 0.00008 139 4YY -0.01788 -0.00002 0.04667 -0.04364 -0.00003 140 4ZZ 0.01248 -0.00001 -0.07517 -0.05384 -0.00005 141 4XY 0.00001 -0.02787 0.00001 0.00004 -0.01755 142 4XZ 0.02493 -0.00001 -0.01269 0.03849 0.00002 143 4YZ 0.00001 0.01331 0.00001 0.00003 -0.01387 144 14 H 1S -0.07795 0.00002 0.39115 0.18921 0.00018 145 2S -0.13924 -0.00003 0.13576 -0.38404 -0.00022 146 15 H 1S -0.05307 -0.00001 -0.03150 -0.20733 -0.00014 147 2S -0.08369 -0.00007 0.16214 -0.13468 -0.00014 148 16 C 1S 0.00388 -0.00932 -0.00265 0.01302 -0.00126 149 2S -0.12800 -0.11217 0.21787 -0.18171 -0.13054 150 2PX -0.12967 -0.14795 0.36061 0.09099 -0.05821 151 2PY -0.08096 -0.10362 0.17284 -0.28148 0.00910 152 2PZ 0.19766 -0.08561 -0.35432 0.09088 -0.29460 153 3S 0.11034 0.42843 -0.12453 0.40517 0.04677 154 3PX 0.27641 0.21610 -0.45274 0.19501 0.07734 155 3PY 0.07496 0.45288 -0.05917 0.58292 0.05713 156 3PZ -0.38512 0.04898 0.98542 -0.01970 0.46498 157 4XX 0.01498 0.00206 -0.02587 0.00464 0.00802 158 4YY -0.01012 -0.01986 -0.00191 0.02564 -0.01165 159 4ZZ -0.02518 0.00085 0.07030 -0.01698 -0.01131 160 4XY 0.00887 -0.00867 -0.02900 -0.04705 -0.01262 161 4XZ 0.00695 -0.00223 -0.00929 0.00774 0.00174 162 4YZ -0.01351 -0.00411 0.00474 -0.02211 0.02160 163 17 H 1S -0.04168 -0.02308 0.01601 0.02471 0.06061 164 2S -0.03848 0.19105 0.23813 0.09722 0.03801 165 18 C 1S 0.00721 -0.00725 -0.00544 0.00233 -0.01876 166 2S -0.11416 -0.00389 0.19623 -0.17249 0.10345 167 2PX 0.03878 -0.03090 0.12761 0.03369 0.38571 168 2PY 0.02618 -0.05616 -0.00665 -0.01111 0.01101 169 2PZ 0.09215 -0.04073 -0.19194 -0.01139 0.05642 170 3S 0.24759 -0.16716 -0.69601 0.09294 -0.32276 171 3PX -0.00997 -0.05620 -0.20226 -0.01711 -0.62932 172 3PY -0.00161 -0.06999 0.02812 -0.04996 0.17687 173 3PZ -0.24698 0.10963 0.59123 0.08263 -0.41481 174 4XX 0.00037 -0.00046 0.00767 0.00282 0.02160 175 4YY -0.01320 0.00454 0.02820 -0.01860 -0.00035 176 4ZZ 0.00814 -0.01830 -0.02577 -0.00573 -0.02250 177 4XY 0.00704 -0.00409 -0.01828 -0.02061 0.00593 178 4XZ -0.00034 0.01213 0.01352 0.03599 0.01239 179 4YZ 0.02070 0.00401 -0.02343 -0.02888 -0.01436 180 19 H 1S 0.05205 -0.03692 -0.13348 0.07639 0.01882 181 2S 0.10476 -0.01659 -0.14114 -0.09848 0.25595 182 20 C 1S 0.00386 0.00932 -0.00264 0.01303 0.00128 183 2S -0.12801 0.11212 0.21774 -0.18168 0.13036 184 2PX -0.12966 0.14801 0.36070 0.09079 0.05837 185 2PY 0.08089 -0.10357 -0.17257 0.28119 0.00936 186 2PZ 0.19765 0.08543 -0.35442 0.09052 0.29457 187 3S 0.11045 -0.42810 -0.12442 0.40467 -0.04608 188 3PX 0.27624 -0.21635 -0.45276 0.19504 -0.07715 189 3PY -0.07495 0.45257 0.05871 -0.58183 0.05638 190 3PZ -0.38493 -0.04847 0.98533 -0.01903 -0.46443 191 4XX 0.01500 -0.00206 -0.02591 0.00457 -0.00803 192 4YY -0.01015 0.01986 -0.00187 0.02572 0.01167 193 4ZZ -0.02517 -0.00085 0.07029 -0.01700 0.01131 194 4XY -0.00884 -0.00867 0.02899 0.04710 -0.01256 195 4XZ 0.00695 0.00222 -0.00928 0.00773 -0.00176 196 4YZ 0.01351 -0.00410 -0.00477 0.02205 0.02163 197 21 H 1S -0.04174 0.02311 0.01607 0.02502 -0.06056 198 2S -0.03831 -0.19094 0.23802 0.09655 -0.03775 199 22 C 1S 0.00721 0.00725 -0.00546 0.00232 0.01877 200 2S -0.11417 0.00390 0.19627 -0.17221 -0.10358 201 2PX 0.03872 0.03095 0.12766 0.03416 -0.38563 202 2PY -0.02619 -0.05613 0.00672 0.01110 0.01081 203 2PZ 0.09215 0.04068 -0.19192 -0.01140 -0.05647 204 3S 0.24736 0.16690 -0.69597 0.09216 0.32238 205 3PX -0.00992 0.05615 -0.20223 -0.01780 0.62907 206 3PY 0.00167 -0.06998 -0.02833 0.04987 0.17714 207 3PZ -0.24681 -0.10947 0.59094 0.08241 0.41520 208 4XX 0.00038 0.00047 0.00766 0.00282 -0.02161 209 4YY -0.01321 -0.00454 0.02820 -0.01859 0.00035 210 4ZZ 0.00813 0.01829 -0.02577 -0.00571 0.02249 211 4XY -0.00703 -0.00408 0.01826 0.02060 0.00595 212 4XZ -0.00033 -0.01213 0.01351 0.03598 -0.01232 213 4YZ -0.02071 0.00401 0.02345 0.02895 -0.01432 214 23 H 1S 0.05203 0.03691 -0.13352 0.07650 -0.01871 215 2S 0.10473 0.01653 -0.14101 -0.09840 -0.25612 96 97 98 99 100 V V V V V Eigenvalues -- 0.74572 0.75002 0.76837 0.79225 0.80418 1 1 C 1S 0.00608 0.00375 -0.00157 0.02012 0.00081 2 2S 0.00851 0.10297 -0.16089 0.00007 0.24601 3 2PX 0.22338 -0.08727 -0.00600 0.05940 -0.07690 4 2PY 0.08218 -0.12468 0.22981 -0.40600 -0.19158 5 2PZ 0.12613 -0.11293 -0.12086 -0.13625 0.03564 6 3S 0.52194 0.91646 -1.43043 0.74057 -0.85182 7 3PX -0.19527 0.42725 -0.38912 0.06389 0.21138 8 3PY -0.30980 0.90394 -1.47532 1.39529 0.74043 9 3PZ -0.30584 0.03578 0.97417 0.46348 -0.16956 10 4XX 0.02240 -0.00482 -0.01260 -0.02600 0.01454 11 4YY 0.00859 0.03296 -0.05916 0.07512 -0.00751 12 4ZZ -0.02299 0.01814 -0.01319 -0.01165 0.02946 13 4XY -0.00322 0.00040 -0.00398 0.00967 0.02278 14 4XZ -0.03153 -0.02153 0.04260 -0.01110 -0.02642 15 4YZ 0.02894 -0.00198 0.00012 -0.00797 -0.02588 16 2 C 1S 0.00279 0.02589 -0.02361 0.02092 0.01978 17 2S 0.14678 0.00514 -0.35885 -0.10714 0.02491 18 2PX -0.15851 0.02229 0.24268 0.16256 -0.03918 19 2PY 0.15889 0.15860 -0.15000 -0.01930 -0.14393 20 2PZ 0.10398 0.06801 0.24173 0.13380 -0.05081 21 3S -0.74660 0.52903 1.12714 1.76049 1.20866 22 3PX 0.55507 -0.02368 -0.12019 -0.49654 -0.12864 23 3PY -0.06779 -1.19424 1.78568 -0.42815 -0.77236 24 3PZ -0.22334 -0.30446 -0.53692 -0.45944 0.11071 25 4XX 0.00067 0.01309 -0.00120 -0.00076 -0.00990 26 4YY -0.01763 0.04690 -0.09096 0.09720 0.14337 27 4ZZ 0.02050 -0.00251 -0.00542 -0.02294 -0.04094 28 4XY 0.00322 0.00866 -0.01421 0.02359 0.03306 29 4XZ -0.01008 -0.03347 0.01697 -0.03629 -0.01155 30 4YZ 0.00718 0.01100 -0.02803 -0.00014 0.01767 31 3 C 1S -0.01508 0.00985 0.01682 0.00365 -0.00789 32 2S -0.01935 -0.06912 -0.05241 0.05179 0.19794 33 2PX 0.12763 0.08910 -0.08170 -0.36243 0.03849 34 2PY 0.04218 -0.54492 -0.03437 0.07005 -0.15931 35 2PZ 0.11687 0.16702 0.11416 0.04218 0.13457 36 3S 0.14998 1.86267 -1.43261 0.11993 -0.29950 37 3PX -0.08174 -0.23480 0.86032 1.41159 0.02574 38 3PY -0.13175 2.24885 -0.57979 0.27827 0.48377 39 3PZ -0.12201 -0.03359 -0.93843 -0.14263 -0.05728 40 4XX -0.01973 -0.03084 -0.00393 -0.00253 -0.01864 41 4YY 0.00830 0.09112 -0.00474 -0.01152 -0.01503 42 4ZZ -0.00609 -0.01526 -0.01733 0.01009 0.04136 43 4XY 0.03211 -0.00040 -0.00747 -0.01231 -0.03595 44 4XZ 0.03391 -0.01593 0.02984 -0.02268 -0.04518 45 4YZ -0.01485 0.00067 -0.00535 0.00854 0.02579 46 4 C 1S -0.01509 -0.00986 -0.01681 -0.00365 -0.00789 47 2S -0.01936 0.06919 0.05237 -0.05173 0.19787 48 2PX 0.12770 -0.08903 0.08183 0.36250 0.03822 49 2PY -0.04207 -0.54470 -0.03440 0.07034 0.15939 50 2PZ 0.11664 -0.16740 -0.11401 -0.04208 0.13466 51 3S 0.15092 -1.86357 1.43296 -0.12001 -0.29887 52 3PX -0.08242 0.23377 -0.86016 -1.41195 0.02681 53 3PY 0.13134 2.24807 -0.58010 0.27725 -0.48426 54 3PZ -0.12094 0.03446 0.93802 0.14257 -0.05742 55 4XX -0.01969 0.03083 0.00394 0.00253 -0.01870 56 4YY 0.00827 -0.09114 0.00474 0.01149 -0.01498 57 4ZZ -0.00609 0.01528 0.01733 -0.01007 0.04136 58 4XY -0.03214 -0.00033 -0.00745 -0.01229 0.03596 59 4XZ 0.03389 0.01596 -0.02986 0.02266 -0.04517 60 4YZ 0.01487 0.00067 -0.00540 0.00853 -0.02582 61 5 C 1S 0.00280 -0.02586 0.02359 -0.02092 0.01980 62 2S 0.14698 -0.00513 0.35875 0.10708 0.02474 63 2PX -0.15848 -0.02256 -0.24249 -0.16258 -0.03913 64 2PY -0.15908 0.15854 -0.15005 -0.01931 0.14391 65 2PZ 0.10390 -0.06785 -0.24186 -0.13381 -0.05078 66 3S -0.74763 -0.52843 -1.12700 -1.75995 1.21021 67 3PX 0.55488 0.02493 0.11852 0.49668 -0.12975 68 3PY 0.06914 -1.19308 1.78516 -0.42750 0.77250 69 3PZ -0.22319 0.30364 0.53738 0.45953 0.11070 70 4XX 0.00067 -0.01311 0.00123 0.00072 -0.00986 71 4YY -0.01761 -0.04680 0.09090 -0.09711 0.14338 72 4ZZ 0.02050 0.00252 0.00541 0.02292 -0.04096 73 4XY -0.00319 0.00867 -0.01428 0.02367 -0.03320 74 4XZ -0.01008 0.03343 -0.01693 0.03630 -0.01155 75 4YZ -0.00720 0.01101 -0.02803 -0.00013 -0.01769 76 6 C 1S 0.00609 -0.00375 0.00157 -0.02012 0.00082 77 2S 0.00857 -0.10281 0.16082 0.00000 0.24601 78 2PX 0.22337 0.08741 0.00572 -0.05918 -0.07696 79 2PY -0.08192 -0.12448 0.22980 -0.40594 0.19182 80 2PZ 0.12614 0.11296 0.12082 0.13624 0.03550 81 3S 0.52269 -0.91631 1.43007 -0.74101 -0.85150 82 3PX -0.19506 -0.42765 0.39011 -0.06474 0.21170 83 3PY 0.30905 0.90333 -1.47507 1.39484 -0.74139 84 3PZ -0.30622 -0.03607 -0.97398 -0.46346 -0.16894 85 4XX 0.02240 0.00485 0.01259 0.02600 0.01455 86 4YY 0.00863 -0.03297 0.05915 -0.07513 -0.00749 87 4ZZ -0.02298 -0.01812 0.01320 0.01166 0.02945 88 4XY 0.00323 0.00042 -0.00402 0.00973 -0.02277 89 4XZ -0.03154 0.02148 -0.04257 0.01109 -0.02644 90 4YZ -0.02896 -0.00198 0.00012 -0.00795 0.02587 91 7 H 1S 0.07487 0.04064 -0.04803 0.10980 0.15291 92 2S -0.10850 0.23882 -0.64052 0.14844 0.35219 93 8 H 1S -0.13736 0.05205 -0.05921 0.10641 0.17315 94 2S 0.04463 0.35511 -0.50542 -0.35625 -0.06854 95 9 H 1S -0.13735 -0.05218 0.05937 -0.10629 0.17326 96 2S 0.04510 -0.35442 0.50496 0.35609 -0.06874 97 10 H 1S 0.07492 -0.04052 0.04799 -0.10968 0.15301 98 2S -0.10821 -0.23860 0.64048 -0.14832 0.35215 99 11 O 1S -0.00820 0.00388 -0.01685 0.01157 0.02384 100 2S 0.04807 0.07096 0.15120 -0.01867 -0.19511 101 2PX -0.01766 0.04748 0.08055 0.03618 0.02656 102 2PY -0.04017 0.12959 -0.19814 0.17461 0.32265 103 2PZ 0.07740 -0.03964 0.01655 0.13500 -0.00427 104 3S 0.14833 -0.77569 0.53602 -0.65102 -0.57002 105 3PX -0.06543 -0.03970 0.06236 -0.02665 -0.09458 106 3PY 0.20938 -0.23902 0.42506 -0.48585 -0.83564 107 3PZ -0.01289 0.02316 0.08780 -0.04753 -0.07155 108 4XX 0.00728 0.01343 0.03955 0.01345 -0.05414 109 4YY 0.01721 -0.02916 0.08306 -0.06884 -0.11782 110 4ZZ 0.01634 0.03071 0.04521 -0.01030 -0.05737 111 4XY -0.00974 -0.01442 0.01855 0.00092 -0.01320 112 4XZ -0.01483 0.02643 0.00145 0.02226 0.02711 113 4YZ 0.00354 -0.00095 0.02881 -0.00616 -0.01361 114 12 O 1S -0.00819 -0.00386 0.01684 -0.01156 0.02384 115 2S 0.04803 -0.07106 -0.15121 0.01857 -0.19508 116 2PX -0.01772 -0.04758 -0.08046 -0.03632 0.02684 117 2PY 0.04010 0.12936 -0.19813 0.17446 -0.32275 118 2PZ 0.07741 0.03972 -0.01668 -0.13499 -0.00421 119 3S 0.14808 0.77502 -0.53572 0.65080 -0.57054 120 3PX -0.06528 0.03975 -0.06253 0.02699 -0.09520 121 3PY -0.20930 -0.23851 0.42490 -0.48547 0.83589 122 3PZ -0.01292 -0.02316 -0.08775 0.04751 -0.07161 123 4XX 0.00725 -0.01342 -0.03958 -0.01348 -0.05414 124 4YY 0.01719 0.02905 -0.08301 0.06879 -0.11784 125 4ZZ 0.01633 -0.03074 -0.04522 0.01027 -0.05736 126 4XY 0.00974 -0.01443 0.01857 0.00086 0.01326 127 4XZ -0.01483 -0.02641 -0.00146 -0.02224 0.02713 128 4YZ -0.00354 -0.00098 0.02881 -0.00617 0.01364 129 13 C 1S -0.01859 0.00000 0.00000 -0.00001 -0.00943 130 2S 0.13013 0.00000 -0.00001 0.00006 0.08418 131 2PX 0.04211 -0.00019 0.00004 0.00005 -0.14494 132 2PY 0.00004 0.36237 0.02822 -0.26247 0.00000 133 2PZ 0.13101 0.00001 0.00000 -0.00012 -0.23193 134 3S -0.37901 -0.00013 0.00019 -0.00007 0.10068 135 3PX -0.34018 0.00076 -0.00017 -0.00024 0.15508 136 3PY -0.00031 -1.31870 -0.14980 0.49407 0.00004 137 3PZ -0.34944 -0.00035 0.00021 0.00053 0.84412 138 4XX -0.03459 0.00001 -0.00003 -0.00003 -0.01959 139 4YY 0.01733 0.00002 0.00003 0.00004 0.05045 140 4ZZ 0.00312 -0.00002 0.00001 -0.00002 -0.02096 141 4XY -0.00001 0.05318 0.03408 0.03140 -0.00004 142 4XZ 0.02425 0.00001 0.00000 0.00002 0.00553 143 4YZ 0.00000 -0.01548 -0.00238 -0.00760 0.00002 144 14 H 1S -0.14981 0.00006 0.00001 0.00002 -0.06543 145 2S 0.29928 -0.00024 0.00013 -0.00004 -0.19464 146 15 H 1S 0.12414 -0.00009 0.00002 -0.00001 -0.06231 147 2S -0.13578 -0.00009 0.00011 0.00040 0.60726 148 16 C 1S 0.00841 0.00970 -0.00439 0.01903 -0.00285 149 2S -0.24109 0.21580 0.03528 0.00598 0.09901 150 2PX -0.30561 0.12344 0.15304 -0.06536 -0.21210 151 2PY -0.08637 0.27184 0.11856 0.08086 0.10327 152 2PZ -0.34431 -0.02767 0.18467 -0.02231 -0.08094 153 3S 0.91423 -0.51983 -0.56504 -0.88926 0.01768 154 3PX 0.54476 -0.66102 -0.25175 0.56512 0.08698 155 3PY 0.18813 -0.80786 -0.32005 -0.85722 -0.35489 156 3PZ 0.81553 0.31572 -0.34275 -0.25938 0.02021 157 4XX -0.00244 -0.03546 -0.01351 -0.00655 -0.00173 158 4YY -0.03513 0.05950 0.01414 0.00550 -0.02510 159 4ZZ 0.02967 -0.00394 -0.01771 0.00127 0.02854 160 4XY 0.01443 -0.03585 0.01304 0.02610 0.01503 161 4XZ -0.01093 -0.00651 0.03484 0.01875 -0.03214 162 4YZ 0.01039 0.03267 -0.02293 -0.04075 0.00709 163 17 H 1S -0.04809 0.19196 -0.03813 -0.03311 -0.03713 164 2S 0.03721 -0.47103 -0.10698 -0.39071 -0.13082 165 18 C 1S -0.01366 0.00892 -0.00710 -0.02272 0.00911 166 2S 0.17341 0.17352 -0.04208 0.14421 0.22712 167 2PX 0.35901 -0.01001 -0.05130 0.07873 0.03841 168 2PY -0.15911 0.14804 0.28138 -0.03851 -0.00482 169 2PZ -0.11523 -0.04447 0.22632 0.30183 -0.11853 170 3S -0.86278 -0.72050 -0.01456 0.86755 -0.28843 171 3PX -0.62152 0.07559 0.12521 -0.01304 -0.11260 172 3PY 0.33884 -0.45599 -0.68938 0.76031 0.08748 173 3PZ 0.35817 0.43186 -0.51918 -1.66221 0.17081 174 4XX 0.03669 -0.00028 0.01048 0.02082 -0.00554 175 4YY 0.01098 -0.02197 -0.04348 0.01795 0.02157 176 4ZZ -0.04375 0.04225 0.01488 0.00586 0.02165 177 4XY 0.02782 0.00661 -0.00705 -0.00147 0.03030 178 4XZ 0.00253 -0.01333 -0.02125 -0.01384 -0.02356 179 4YZ -0.01140 -0.02187 0.00746 0.00775 0.00557 180 19 H 1S -0.07341 0.03862 -0.10852 -0.10349 0.06248 181 2S 0.03109 -0.33461 0.02507 0.97311 -0.06861 182 20 C 1S 0.00840 -0.00969 0.00438 -0.01903 -0.00283 183 2S -0.24106 -0.21593 -0.03511 -0.00594 0.09898 184 2PX -0.30572 -0.12348 -0.15308 0.06517 -0.21206 185 2PY 0.08645 0.27197 0.11828 0.08091 -0.10354 186 2PZ -0.34431 0.02775 -0.18452 0.02228 -0.08104 187 3S 0.91412 0.52019 0.56440 0.88940 0.01725 188 3PX 0.54520 0.66156 0.25174 -0.56461 0.08693 189 3PY -0.18847 -0.80785 -0.31935 -0.85755 0.35576 190 3PZ 0.81523 -0.31576 0.34219 0.25916 0.02040 191 4XX -0.00240 0.03549 0.01349 0.00653 -0.00172 192 4YY -0.03516 -0.05950 -0.01413 -0.00550 -0.02511 193 4ZZ 0.02968 0.00393 0.01771 -0.00125 0.02854 194 4XY -0.01442 -0.03575 0.01305 0.02611 -0.01502 195 4XZ -0.01093 0.00649 -0.03483 -0.01874 -0.03213 196 4YZ -0.01041 0.03266 -0.02296 -0.04078 -0.00711 197 21 H 1S -0.04814 -0.19190 0.03814 0.03302 -0.03707 198 2S 0.03747 0.47107 0.10675 0.39076 -0.13124 199 22 C 1S -0.01367 -0.00892 0.00710 0.02273 0.00909 200 2S 0.17342 -0.17369 0.04214 -0.14402 0.22718 201 2PX 0.35896 0.00994 0.05097 -0.07863 0.03844 202 2PY 0.15938 0.14809 0.28137 -0.03854 0.00495 203 2PZ -0.11515 0.04451 -0.22626 -0.30207 -0.11843 204 3S -0.86276 0.72046 0.01497 -0.86772 -0.28785 205 3PX -0.62134 -0.07531 -0.12449 0.01243 -0.11255 206 3PY -0.33917 -0.45606 -0.68942 0.76013 -0.08829 207 3PZ 0.35772 -0.43189 0.51880 1.66279 0.17007 208 4XX 0.03673 0.00028 -0.01050 -0.02083 -0.00550 209 4YY 0.01095 0.02196 0.04348 -0.01793 0.02156 210 4ZZ -0.04376 -0.04226 -0.01486 -0.00584 0.02164 211 4XY -0.02781 0.00661 -0.00708 -0.00150 -0.03031 212 4XZ 0.00253 0.01336 0.02123 0.01382 -0.02356 213 4YZ 0.01140 -0.02180 0.00745 0.00777 -0.00558 214 23 H 1S -0.07343 -0.03850 0.10847 0.10359 0.06243 215 2S 0.03128 0.33453 -0.02493 -0.97343 -0.06808 101 102 103 104 105 V V V V V Eigenvalues -- 0.81544 0.82130 0.82603 0.82684 0.83926 1 1 C 1S 0.00137 -0.01213 0.00436 0.00340 0.00944 2 2S 0.19175 0.00756 -0.11660 0.00021 -0.12821 3 2PX 0.03775 -0.10430 0.08756 0.08655 0.11859 4 2PY -0.04319 0.07686 0.12386 0.11558 0.04830 5 2PZ -0.00457 0.02797 -0.12372 -0.05458 -0.17558 6 3S -0.27405 -0.39489 0.54845 -0.38754 -0.67519 7 3PX 0.02536 0.27469 -0.09695 -0.38441 -0.67469 8 3PY 0.11972 -0.48892 -0.40312 -0.56787 -0.32917 9 3PZ 0.00483 -0.02344 0.27149 0.33208 0.98533 10 4XX -0.00298 -0.01162 -0.03579 0.00567 -0.01750 11 4YY 0.01521 -0.01277 0.00092 -0.02543 -0.01973 12 4ZZ 0.01174 0.01008 0.01116 0.00540 -0.00867 13 4XY 0.01077 -0.00465 0.03227 0.00121 0.00979 14 4XZ -0.01183 0.02321 0.00767 -0.00709 0.01273 15 4YZ 0.00959 0.00721 0.00339 -0.00343 -0.01323 16 2 C 1S 0.00752 -0.00961 -0.00549 -0.00006 -0.00115 17 2S -0.00740 -0.04885 -0.17094 0.04410 -0.23477 18 2PX 0.05743 0.02547 0.10890 0.02826 0.09574 19 2PY -0.02260 -0.03936 0.04068 -0.00465 -0.07816 20 2PZ 0.11439 0.03470 0.19848 0.00499 0.03145 21 3S 0.50967 0.00461 0.77456 0.32441 1.84601 22 3PX -0.04878 0.09097 0.15909 0.14005 -0.15372 23 3PY -0.09237 0.55635 0.33669 0.13333 0.92559 24 3PZ -0.31839 -0.25086 -0.80629 -0.08808 -0.00044 25 4XX 0.01072 0.02524 0.05145 0.00277 -0.00685 26 4YY 0.02553 -0.03074 -0.03966 0.01074 0.05566 27 4ZZ -0.01267 -0.01801 -0.03620 0.00116 -0.03170 28 4XY 0.00764 0.00329 0.00774 0.00145 0.02168 29 4XZ -0.02385 0.01111 -0.01517 -0.00709 -0.00369 30 4YZ 0.00030 -0.01748 -0.01615 0.01389 -0.00724 31 3 C 1S 0.00177 0.00334 -0.00460 0.01381 0.02357 32 2S 0.03144 -0.07376 0.29144 -0.01934 -0.00827 33 2PX -0.16199 -0.08026 -0.13876 0.08164 -0.21749 34 2PY -0.06262 0.23750 -0.10260 -0.28643 0.12540 35 2PZ 0.02235 0.19385 -0.01346 -0.03001 0.26995 36 3S -0.33315 -0.36200 -1.14954 0.17402 -1.24822 37 3PX 0.31842 0.58924 0.61776 -0.17747 1.10778 38 3PY 0.29252 -0.58996 0.56768 0.83903 -0.90185 39 3PZ -0.01231 -0.68311 -0.09303 -0.11175 -1.24164 40 4XX -0.00042 -0.01800 -0.04484 -0.01206 -0.01472 41 4YY -0.00923 -0.03163 0.02126 0.03843 -0.03057 42 4ZZ 0.01215 0.02259 0.03553 -0.00110 0.01516 43 4XY -0.00875 -0.00615 -0.02490 0.00309 -0.01342 44 4XZ -0.00744 -0.00672 0.00120 0.01011 -0.01837 45 4YZ -0.00754 0.00219 -0.04778 -0.00587 0.01383 46 4 C 1S 0.00176 -0.00335 -0.00453 -0.01384 -0.02357 47 2S 0.03147 0.07457 0.29113 0.02075 0.00824 48 2PX -0.16183 0.07976 -0.13853 -0.08209 0.21741 49 2PY 0.06270 0.23784 0.10321 -0.28598 0.12556 50 2PZ 0.02215 -0.19392 -0.01322 0.02996 -0.26988 51 3S -0.33237 0.35886 -1.14885 -0.17946 1.24841 52 3PX 0.31769 -0.58732 0.61820 0.17997 -1.10724 53 3PY -0.29285 -0.59189 -0.56939 0.83646 -0.90253 54 3PZ -0.01132 0.68278 -0.09441 0.11135 1.24131 55 4XX -0.00042 0.01789 -0.04497 0.01185 0.01475 56 4YY -0.00919 0.03169 0.02137 -0.03832 0.03055 57 4ZZ 0.01214 -0.02250 0.03561 0.00127 -0.01517 58 4XY 0.00875 -0.00607 0.02485 0.00324 -0.01342 59 4XZ -0.00744 0.00671 0.00117 -0.01011 0.01834 60 4YZ 0.00754 0.00233 0.04782 -0.00564 0.01384 61 5 C 1S 0.00752 0.00959 -0.00551 0.00003 0.00115 62 2S -0.00724 0.04845 -0.17066 -0.04485 0.23479 63 2PX 0.05739 -0.02518 0.10926 -0.02774 -0.09568 64 2PY 0.02260 -0.03947 -0.04051 -0.00483 -0.07814 65 2PZ 0.11433 -0.03420 0.19850 -0.00404 -0.03148 66 3S 0.50864 -0.00275 0.77498 -0.32093 -1.84615 67 3PX -0.04899 -0.09088 0.15946 -0.13935 0.15297 68 3PY 0.09278 0.55540 -0.33809 0.13139 0.92535 69 3PZ -0.31809 0.24871 -0.80682 0.08419 0.00057 70 4XX 0.01073 -0.02510 0.05156 -0.00252 0.00682 71 4YY 0.02550 0.03065 -0.03971 -0.01094 -0.05563 72 4ZZ -0.01266 0.01790 -0.03625 -0.00134 0.03169 73 4XY -0.00764 0.00322 -0.00767 0.00141 0.02171 74 4XZ -0.02385 -0.01113 -0.01517 0.00701 0.00371 75 4YZ -0.00032 -0.01745 0.01611 0.01399 -0.00722 76 6 C 1S 0.00137 0.01214 0.00433 -0.00338 -0.00945 77 2S 0.19174 -0.00794 -0.11650 -0.00094 0.12801 78 2PX 0.03773 0.10438 0.08761 -0.08619 -0.11871 79 2PY 0.04315 0.07662 -0.12436 0.11486 0.04817 80 2PZ -0.00456 -0.02824 -0.12382 0.05398 0.17559 81 3S -0.27384 0.39644 0.54600 0.39054 0.67537 82 3PX 0.02544 -0.27446 -0.09771 0.38428 0.67497 83 3PY -0.11971 -0.48805 0.40594 -0.56543 -0.32857 84 3PZ 0.00470 0.02400 0.27268 -0.33075 -0.98532 85 4XX -0.00296 0.01154 -0.03576 -0.00586 0.01749 86 4YY 0.01519 0.01276 0.00077 0.02542 0.01973 87 4ZZ 0.01175 -0.01005 0.01122 -0.00534 0.00865 88 4XY -0.01079 -0.00473 -0.03230 0.00102 0.00979 89 4XZ -0.01183 -0.02319 0.00771 0.00714 -0.01270 90 4YZ -0.00960 0.00718 -0.00339 -0.00344 -0.01323 91 7 H 1S 0.03879 -0.11534 0.10371 0.03888 0.10042 92 2S 0.09060 0.11137 -0.40781 -0.41991 -0.64282 93 8 H 1S 0.00314 0.16086 -0.06362 -0.02661 0.20694 94 2S 0.06097 -0.64873 0.22167 0.24693 -0.97047 95 9 H 1S 0.00298 -0.16105 -0.06329 0.02623 -0.20694 96 2S 0.06176 0.64930 0.22146 -0.24585 0.97021 97 10 H 1S 0.03881 0.11555 0.10348 -0.03837 -0.10044 98 2S 0.09055 -0.11228 -0.40883 0.41775 0.64277 99 11 O 1S 0.00301 -0.00406 -0.00541 -0.00155 -0.00002 100 2S -0.01621 -0.01318 0.12706 0.00830 -0.07321 101 2PX 0.05051 -0.04337 0.10987 0.01670 -0.01139 102 2PY 0.05254 -0.09688 -0.09531 0.03922 0.08202 103 2PZ 0.05931 -0.02939 0.07551 -0.05980 0.02699 104 3S -0.15797 0.31802 -0.12676 0.01559 0.18024 105 3PX -0.05092 0.06397 -0.06392 -0.00362 0.04591 106 3PY -0.14877 0.19083 0.17971 -0.06140 -0.19295 107 3PZ -0.01852 0.08241 0.04191 0.04236 -0.02482 108 4XX 0.00078 0.00540 0.05062 -0.00589 -0.01059 109 4YY -0.02369 0.01592 0.03661 -0.00216 -0.05552 110 4ZZ -0.00929 -0.00746 0.03239 -0.00194 -0.02288 111 4XY 0.00017 0.00689 -0.01068 -0.00778 -0.00296 112 4XZ 0.00937 -0.00507 0.01188 0.00514 0.00589 113 4YZ 0.00509 0.00592 0.02154 0.00538 0.00076 114 12 O 1S 0.00301 0.00405 -0.00543 0.00152 0.00002 115 2S -0.01619 0.01347 0.12707 -0.00770 0.07314 116 2PX 0.05057 0.04375 0.10981 -0.01626 0.01130 117 2PY -0.05249 -0.09662 0.09546 0.03967 0.08201 118 2PZ 0.05929 0.02960 0.07516 0.06013 -0.02699 119 3S -0.15800 -0.31827 -0.12594 -0.01601 -0.17993 120 3PX -0.05102 -0.06430 -0.06358 0.00343 -0.04569 121 3PY 0.14866 0.19035 -0.17999 -0.06229 -0.19297 122 3PZ -0.01857 -0.08232 0.04227 -0.04214 0.02479 123 4XX 0.00078 -0.00529 0.05059 0.00614 0.01056 124 4YY -0.02367 -0.01583 0.03666 0.00234 0.05550 125 4ZZ -0.00929 0.00753 0.03236 0.00208 0.02285 126 4XY -0.00014 0.00693 0.01069 -0.00772 -0.00299 127 4XZ 0.00937 0.00509 0.01191 -0.00509 -0.00590 128 4YZ -0.00508 0.00586 -0.02156 0.00527 0.00075 129 13 C 1S 0.01585 -0.00002 -0.00895 -0.00003 0.00000 130 2S -0.08620 -0.00002 -0.01282 0.00002 0.00003 131 2PX 0.19839 -0.00093 -0.56622 -0.00140 -0.00001 132 2PY 0.00008 0.21529 -0.00083 0.14889 0.20101 133 2PZ 0.36119 -0.00102 -0.62284 -0.00143 0.00007 134 3S 1.26197 0.00109 0.79646 0.00164 -0.00022 135 3PX -0.51704 0.00261 1.40141 0.00359 0.00018 136 3PY -0.00046 -1.55390 0.00415 -0.59067 -0.84969 137 3PZ -0.73956 0.00238 1.41341 0.00305 -0.00023 138 4XX -0.04125 0.00005 0.04097 0.00008 -0.00002 139 4YY 0.00076 0.00009 0.03412 0.00009 0.00001 140 4ZZ 0.07544 -0.00012 -0.05591 -0.00013 0.00001 141 4XY 0.00000 0.03777 -0.00007 0.01017 0.00159 142 4XZ -0.06743 -0.00002 -0.03833 -0.00009 0.00000 143 4YZ -0.00004 -0.06460 0.00012 -0.00982 0.02503 144 14 H 1S -0.30130 0.00010 -0.00361 -0.00008 -0.00007 145 2S 0.59544 -0.00190 -1.19918 -0.00278 0.00019 146 15 H 1S 0.14289 -0.00061 -0.37620 -0.00089 0.00002 147 2S -1.00214 0.00184 0.98484 0.00222 -0.00007 148 16 C 1S 0.02078 0.02244 0.00332 -0.03723 -0.00767 149 2S -0.00160 -0.08340 -0.09115 0.28475 0.08465 150 2PX 0.04766 0.11180 -0.02063 0.20065 0.17211 151 2PY 0.30517 0.38257 0.19343 -0.35791 -0.32083 152 2PZ 0.04025 -0.27411 -0.05924 -0.10659 -0.23617 153 3S -0.62039 -0.24411 0.03737 -1.01964 0.96959 154 3PX -0.00961 -0.68839 -0.29750 -0.70890 -0.69656 155 3PY -1.33560 -1.63452 -0.62494 0.84936 1.33680 156 3PZ -0.14821 1.18993 -0.03454 0.41826 1.56765 157 4XX 0.00489 -0.02082 -0.00841 0.03931 -0.01266 158 4YY 0.02437 0.00800 -0.00034 -0.06446 -0.02954 159 4ZZ -0.03326 0.00286 -0.00778 0.03589 0.07932 160 4XY 0.01638 -0.00648 0.00302 0.01957 0.00033 161 4XZ 0.00255 -0.00248 -0.00129 -0.00362 -0.01128 162 4YZ 0.00079 0.00935 -0.01320 -0.05107 0.04221 163 17 H 1S 0.16799 0.19306 0.03947 -0.28771 -0.18832 164 2S -0.80781 -0.77681 -0.36114 1.21599 1.07345 165 18 C 1S -0.03245 -0.00636 0.00115 -0.01973 0.00189 166 2S 0.16527 0.00233 -0.06732 0.11624 0.02237 167 2PX -0.06471 -0.14298 0.03432 -0.16448 0.15055 168 2PY -0.33492 -0.52946 -0.03371 -0.32517 0.10665 169 2PZ 0.41592 -0.02333 0.07483 0.33722 -0.47105 170 3S -0.46137 1.24657 -0.02183 0.17200 -1.60781 171 3PX 0.38154 0.44810 -0.02178 0.61438 -0.76369 172 3PY 1.00055 2.64757 0.19929 1.32811 -0.43106 173 3PZ -1.34876 -0.09677 -0.19696 -0.95022 2.53131 174 4XX 0.03891 -0.01248 0.02617 0.01223 0.00665 175 4YY -0.01919 0.08625 -0.01556 0.05861 -0.01905 176 4ZZ 0.00683 -0.03622 -0.01255 -0.03317 -0.04821 177 4XY -0.01979 0.00511 0.03078 -0.01061 0.00223 178 4XZ 0.01601 0.01095 -0.01917 0.01932 0.00193 179 4YZ 0.07511 -0.01989 -0.00265 0.03981 -0.00500 180 19 H 1S -0.28239 -0.10052 0.01801 -0.27269 0.11985 181 2S 1.46568 0.88671 0.12699 1.25827 -1.22749 182 20 C 1S 0.02078 -0.02244 0.00321 0.03725 0.00766 183 2S -0.00159 0.08323 -0.08992 -0.28525 -0.08454 184 2PX 0.04772 -0.11201 -0.01919 -0.20068 -0.17197 185 2PY -0.30511 0.38191 -0.19286 -0.35890 -0.32091 186 2PZ 0.04032 0.27416 -0.06055 0.10612 0.23613 187 3S -0.62015 0.24389 0.03153 1.02030 -0.96981 188 3PX -0.00998 0.68830 -0.30334 0.70731 0.69586 189 3PY 1.33522 -1.63221 0.62552 0.85242 1.33720 190 3PZ -0.14855 -1.19080 -0.02894 -0.41785 -1.56744 191 4XX 0.00492 0.02080 -0.00828 -0.03937 0.01268 192 4YY 0.02437 -0.00803 -0.00061 0.06450 0.02951 193 4ZZ -0.03328 -0.00287 -0.00760 -0.03595 -0.07930 194 4XY -0.01637 -0.00646 -0.00309 0.01948 0.00030 195 4XZ 0.00253 0.00248 -0.00133 0.00365 0.01126 196 4YZ -0.00077 0.00939 0.01341 -0.05098 0.04225 197 21 H 1S 0.16798 -0.19299 0.03866 0.28788 0.18822 198 2S -0.80776 0.77589 -0.35756 -1.21755 -1.07311 199 22 C 1S -0.03244 0.00639 0.00104 0.01973 -0.00188 200 2S 0.16521 -0.00263 -0.06677 -0.11658 -0.02244 201 2PX -0.06485 0.14339 0.03309 0.16484 -0.15066 202 2PY 0.33455 -0.52950 0.03681 -0.32488 0.10631 203 2PZ 0.41594 0.02328 0.07636 -0.33698 0.47095 204 3S -0.46184 -1.24592 -0.01748 -0.17228 1.60828 205 3PX 0.38191 -0.44980 -0.01738 -0.61543 0.76387 206 3PY -0.99869 2.64730 -0.21312 1.32668 -0.42971 207 3PZ -1.34872 0.09707 -0.20163 0.94977 -2.53114 208 4XX 0.03889 0.01251 0.02622 -0.01209 -0.00668 209 4YY -0.01919 -0.08628 -0.01506 -0.05871 0.01907 210 4ZZ 0.00684 0.03620 -0.01280 0.03310 0.04821 211 4XY 0.01983 0.00511 -0.03071 -0.01072 0.00221 212 4XZ 0.01606 -0.01100 -0.01905 -0.01944 -0.00194 213 4YZ -0.07510 -0.01990 0.00251 0.03981 -0.00500 214 23 H 1S -0.28232 0.10072 0.01642 0.27280 -0.11973 215 2S 1.46506 -0.88698 0.13542 -1.25784 1.22703 106 107 108 109 110 V V V V V Eigenvalues -- 0.84247 0.86570 0.87299 0.88291 0.89340 1 1 C 1S 0.02608 -0.01355 0.00005 -0.00429 0.00716 2 2S -0.16338 0.47421 0.16348 -0.22918 -0.30427 3 2PX 0.40027 -0.23140 0.09250 -0.04868 0.23745 4 2PY 0.36761 -0.21970 0.18491 0.04039 0.17977 5 2PZ -0.41110 0.26840 0.01760 -0.02796 -0.25046 6 3S -0.96679 -0.99470 -0.99025 0.43866 0.57390 7 3PX -1.57305 0.55260 -0.50340 0.10754 -0.51954 8 3PY -1.65710 0.45978 -0.70608 -0.13048 -0.29852 9 3PZ 1.63162 -0.59019 0.00969 0.00113 0.54538 10 4XX 0.00831 0.00037 0.02962 -0.02405 -0.01713 11 4YY -0.08019 0.03902 -0.02984 -0.02107 -0.02516 12 4ZZ 0.01395 0.01819 0.01249 0.00631 -0.00661 13 4XY 0.01824 -0.05384 -0.00334 0.01476 0.04046 14 4XZ -0.04226 0.04093 -0.02358 0.02647 -0.03077 15 4YZ -0.02041 0.06813 -0.00812 -0.00854 -0.06425 16 2 C 1S 0.00296 -0.00108 0.00236 -0.00557 -0.01130 17 2S -0.13094 -0.05287 0.13727 -0.29236 -0.26627 18 2PX -0.10804 -0.00096 -0.08657 -0.07522 -0.04237 19 2PY -0.06574 0.01449 -0.01521 0.00551 0.09615 20 2PZ 0.00155 0.05801 -0.04779 0.10090 -0.03550 21 3S 1.25740 0.05504 0.13530 0.86151 0.83262 22 3PX 0.22987 0.08640 0.42093 0.37402 0.09883 23 3PY 0.46889 0.03282 0.38908 0.24669 0.25337 24 3PZ -0.07748 -0.18518 0.42988 -0.48221 0.11071 25 4XX -0.02120 0.02365 -0.03719 0.01555 -0.02556 26 4YY 0.07105 -0.03092 0.07353 -0.01191 0.02401 27 4ZZ -0.02031 -0.00561 0.00955 -0.03508 -0.02070 28 4XY -0.02356 -0.00239 0.01255 0.01948 0.00518 29 4XZ 0.00092 -0.00852 -0.00125 0.00710 0.02450 30 4YZ 0.03233 -0.00487 0.01451 -0.03143 0.00471 31 3 C 1S -0.01350 0.00880 0.00944 0.01177 -0.00025 32 2S 0.07523 -0.39877 -0.25200 0.07560 -0.27474 33 2PX 0.01091 -0.19064 0.12619 -0.28937 -0.11438 34 2PY -0.06821 0.16658 0.21438 0.03144 0.13469 35 2PZ -0.15163 0.26807 0.55891 0.14024 0.24773 36 3S -0.29043 0.75404 0.03307 -0.62266 0.44717 37 3PX 0.08248 0.51176 -0.17361 0.65094 0.27994 38 3PY 0.55823 -0.31578 -1.04476 0.14900 -0.17745 39 3PZ 0.37168 -0.62149 -1.78807 -0.44661 -0.46962 40 4XX 0.00076 -0.03331 -0.01206 0.00883 -0.02482 41 4YY 0.01376 -0.02712 -0.04136 0.00839 -0.02635 42 4ZZ -0.01296 0.00505 0.00340 -0.00333 -0.00417 43 4XY -0.00680 -0.04078 -0.00470 -0.04450 -0.02060 44 4XZ 0.02601 -0.01818 -0.01176 -0.03579 -0.00259 45 4YZ 0.00033 0.03715 0.02135 0.00484 0.05058 46 4 C 1S 0.01350 0.00879 -0.00945 0.01177 -0.00025 47 2S -0.07531 -0.39868 0.25212 0.07572 -0.27474 48 2PX -0.01083 -0.19052 -0.12602 -0.28937 -0.11434 49 2PY -0.06824 -0.16674 0.21437 -0.03144 -0.13474 50 2PZ 0.15160 0.26788 -0.55913 0.13990 0.24769 51 3S 0.29067 0.75410 -0.03260 -0.62239 0.44712 52 3PX -0.08308 0.51141 0.17347 0.65080 0.28019 53 3PY 0.55827 0.31612 -1.04461 -0.14868 0.17718 54 3PZ -0.37155 -0.62072 1.78858 -0.44529 -0.46970 55 4XX -0.00074 -0.03335 0.01206 0.00878 -0.02484 56 4YY -0.01378 -0.02707 0.04138 0.00846 -0.02631 57 4ZZ 0.01296 0.00505 -0.00341 -0.00332 -0.00419 58 4XY -0.00680 0.04077 -0.00479 0.04450 0.02060 59 4XZ -0.02600 -0.01815 0.01177 -0.03578 -0.00255 60 4YZ 0.00030 -0.03716 0.02136 -0.00483 -0.05059 61 5 C 1S -0.00296 -0.00108 -0.00235 -0.00557 -0.01131 62 2S 0.13101 -0.05289 -0.13693 -0.29267 -0.26635 63 2PX 0.10809 -0.00093 0.08657 -0.07499 -0.04235 64 2PY -0.06566 -0.01449 -0.01516 -0.00556 -0.09621 65 2PZ -0.00158 0.05801 0.04765 0.10082 -0.03545 66 3S -1.25753 0.05481 -0.13628 0.86241 0.83274 67 3PX -0.23031 0.08616 -0.42140 0.37283 0.09944 68 3PY 0.46902 -0.03258 0.38918 -0.24625 -0.25326 69 3PZ 0.07767 -0.18518 -0.42935 -0.48141 0.11023 70 4XX 0.02122 0.02365 0.03714 0.01560 -0.02555 71 4YY -0.07105 -0.03094 -0.07350 -0.01201 0.02397 72 4ZZ 0.02032 -0.00561 -0.00950 -0.03510 -0.02069 73 4XY -0.02348 0.00245 0.01265 -0.01945 -0.00523 74 4XZ -0.00095 -0.00852 0.00124 0.00708 0.02451 75 4YZ 0.03232 0.00486 0.01448 0.03143 -0.00469 76 6 C 1S -0.02608 -0.01355 -0.00004 -0.00428 0.00716 77 2S 0.16356 0.47418 -0.16336 -0.22938 -0.30428 78 2PX -0.40057 -0.23157 -0.09256 -0.04868 0.23755 79 2PY 0.36741 0.21956 0.18488 -0.04007 -0.17959 80 2PZ 0.41118 0.26838 -0.01757 -0.02803 -0.25043 81 3S 0.96635 -0.99449 0.99005 0.43962 0.57408 82 3PX 1.57430 0.55303 0.50376 0.10726 -0.51954 83 3PY -1.65622 -0.45959 -0.70585 0.12843 0.29838 84 3PZ -1.63184 -0.59011 -0.00980 0.00191 0.54508 85 4XX -0.00832 0.00030 -0.02956 -0.02408 -0.01708 86 4YY 0.08022 0.03909 0.02984 -0.02104 -0.02521 87 4ZZ -0.01395 0.01819 -0.01252 0.00628 -0.00660 88 4XY 0.01819 0.05380 -0.00337 -0.01477 -0.04045 89 4XZ 0.04227 0.04098 0.02355 0.02651 -0.03082 90 4YZ -0.02039 -0.06810 -0.00811 0.00856 0.06423 91 7 H 1S 0.38441 -0.29918 0.05101 0.08494 0.30427 92 2S -1.86162 1.18403 -0.29363 -0.11957 -0.98468 93 8 H 1S -0.10420 0.18044 0.22658 0.04188 0.23716 94 2S 0.49458 -0.88707 -1.41385 -0.29091 -0.65993 95 9 H 1S 0.10423 0.18038 -0.22667 0.04176 0.23711 96 2S -0.49459 -0.88662 1.41429 -0.29001 -0.65985 97 10 H 1S -0.38448 -0.29917 -0.05103 0.08488 0.30425 98 2S 1.86195 1.18406 0.29366 -0.11933 -0.98456 99 11 O 1S 0.00619 -0.00238 0.00194 -0.00203 -0.00307 100 2S -0.11059 0.05980 -0.15751 -0.01402 -0.11009 101 2PX 0.01437 -0.06613 -0.05658 -0.02050 -0.04428 102 2PY 0.09499 -0.06022 0.08861 -0.00108 0.08347 103 2PZ -0.00985 0.01630 -0.09546 0.02732 -0.02127 104 3S 0.08048 -0.05055 0.38624 0.00692 0.17361 105 3PX -0.04710 0.03152 -0.03674 0.00059 0.04360 106 3PY -0.26092 0.12870 -0.16660 0.02640 -0.06360 107 3PZ -0.01246 0.05729 0.02635 0.02772 0.00838 108 4XX -0.02702 0.02833 -0.06299 0.00842 -0.02161 109 4YY -0.05888 0.02466 -0.06193 -0.02006 -0.07211 110 4ZZ -0.02448 0.01116 -0.02970 0.00035 -0.01768 111 4XY -0.01378 0.01639 0.00520 -0.01868 -0.01432 112 4XZ 0.00113 -0.00236 -0.01482 0.01098 0.00925 113 4YZ 0.00426 -0.01213 -0.01003 0.01265 -0.00958 114 12 O 1S -0.00619 -0.00238 -0.00194 -0.00204 -0.00307 115 2S 0.11056 0.05984 0.15750 -0.01382 -0.11004 116 2PX -0.01442 -0.06615 0.05657 -0.02043 -0.04425 117 2PY 0.09492 0.06021 0.08863 0.00112 -0.08345 118 2PZ 0.00985 0.01631 0.09546 0.02739 -0.02126 119 3S -0.08059 -0.05068 -0.38628 0.00637 0.17351 120 3PX 0.04725 0.03163 0.03680 0.00074 0.04353 121 3PY -0.26075 -0.12873 -0.16650 -0.02648 0.06353 122 3PZ 0.01243 0.05729 -0.02642 0.02756 0.00844 123 4XX 0.02703 0.02837 0.06295 0.00847 -0.02161 124 4YY 0.05884 0.02466 0.06195 -0.01997 -0.07207 125 4ZZ 0.02447 0.01117 0.02970 0.00039 -0.01766 126 4XY -0.01381 -0.01639 0.00520 0.01870 0.01437 127 4XZ -0.00113 -0.00236 0.01481 0.01102 0.00924 128 4YZ 0.00427 0.01213 -0.01001 -0.01263 0.00958 129 13 C 1S 0.00000 -0.00018 0.00002 -0.02415 0.01831 130 2S -0.00001 -0.41072 -0.00002 0.13820 -0.64829 131 2PX 0.00008 -0.31748 -0.00003 0.29584 -0.28309 132 2PY -0.09609 -0.00012 0.00300 0.00006 -0.00010 133 2PZ 0.00002 -0.02906 -0.00005 0.30965 0.19931 134 3S 0.00005 1.06494 -0.00035 0.26108 1.07201 135 3PX -0.00025 0.80182 -0.00035 -0.35006 0.63122 136 3PY 0.26267 0.00040 0.47122 0.00020 0.00014 137 3PZ 0.00009 -0.07865 0.00020 -0.70003 -0.52307 138 4XX -0.00001 0.04622 0.00005 -0.06982 0.03732 139 4YY 0.00000 -0.05694 -0.00003 0.04050 -0.12109 140 4ZZ 0.00001 -0.03828 -0.00002 0.04771 -0.00038 141 4XY -0.00105 0.00004 -0.01414 -0.00005 0.00006 142 4XZ 0.00001 0.01900 0.00002 -0.06612 0.04659 143 4YZ -0.01483 0.00001 0.02077 -0.00002 0.00000 144 14 H 1S 0.00001 0.16416 0.00035 -0.60034 0.39488 145 2S 0.00011 -0.94626 -0.00016 0.86064 -0.98591 146 15 H 1S 0.00005 -0.08739 0.00005 -0.07279 0.25780 147 2S 0.00000 -0.14280 0.00022 -0.62345 -0.74396 148 16 C 1S 0.01515 0.00165 -0.01628 0.01324 -0.00403 149 2S -0.17271 -0.20299 0.02957 -0.18448 -0.13286 150 2PX -0.07264 -0.00964 -0.18766 0.03407 -0.07026 151 2PY 0.21552 -0.00939 -0.00341 0.14207 -0.02231 152 2PZ 0.02217 -0.05425 0.13198 0.00748 0.01492 153 3S 0.29861 0.42535 -0.38950 0.65861 0.30147 154 3PX 0.26258 -0.01999 0.36343 -0.12599 0.19178 155 3PY -0.78795 -0.06863 0.17206 -0.31007 0.14705 156 3PZ -0.22174 0.31362 -0.84540 0.36639 -0.01834 157 4XX 0.00174 -0.01227 -0.00776 -0.01213 -0.01276 158 4YY 0.01221 -0.00596 0.00895 0.04433 0.00745 159 4ZZ -0.02719 -0.00223 -0.02115 -0.03026 -0.01604 160 4XY -0.00580 -0.00700 -0.00462 0.03733 -0.02881 161 4XZ -0.00452 0.03078 0.01103 -0.01546 0.02734 162 4YZ 0.00175 0.00137 -0.00901 0.04579 0.01523 163 17 H 1S 0.14413 -0.03928 0.00530 0.10800 0.02227 164 2S -0.69861 -0.06585 -0.02936 -0.39493 -0.05461 165 18 C 1S 0.00301 -0.00201 -0.00429 0.00948 -0.00578 166 2S -0.10557 -0.05628 0.22898 -0.18370 -0.01388 167 2PX -0.03367 0.00953 -0.10277 0.05502 -0.07800 168 2PY -0.12642 -0.07055 0.15409 0.11727 -0.04162 169 2PZ -0.02939 0.00339 0.26479 -0.26759 0.02029 170 3S 0.89050 -0.32376 -0.50702 0.15564 -0.01742 171 3PX 0.10954 -0.05429 0.30055 -0.09699 0.04058 172 3PY 0.59434 0.28678 -0.77628 -0.00184 0.05198 173 3PZ -0.16493 0.00330 -1.24182 0.51312 -0.04074 174 4XX -0.01342 0.02696 0.00350 -0.04354 0.00920 175 4YY 0.01608 -0.01560 -0.01729 -0.01223 -0.01051 176 4ZZ 0.00190 -0.01804 0.04574 0.02333 0.00044 177 4XY 0.00379 0.00956 0.00112 0.05008 0.00138 178 4XZ 0.00739 -0.02187 -0.02170 -0.02637 -0.01019 179 4YZ -0.00949 -0.02723 0.00601 -0.09953 -0.00473 180 19 H 1S 0.01166 0.07475 -0.00947 0.38218 -0.03294 181 2S 0.11943 0.05860 0.44846 -0.75371 0.05314 182 20 C 1S -0.01515 0.00166 0.01628 0.01324 -0.00403 183 2S 0.17280 -0.20300 -0.02928 -0.18441 -0.13285 184 2PX 0.07259 -0.00965 0.18764 0.03430 -0.07033 185 2PY 0.21563 0.00929 -0.00326 -0.14194 0.02236 186 2PZ -0.02207 -0.05430 -0.13187 0.00729 0.01491 187 3S -0.29897 0.42538 0.38865 0.65906 0.30145 188 3PX -0.26227 -0.02000 -0.36321 -0.12663 0.19210 189 3PY -0.78811 0.06892 0.17140 0.30969 -0.14729 190 3PZ 0.22141 0.31391 0.84481 0.36745 -0.01839 191 4XX -0.00173 -0.01228 0.00776 -0.01208 -0.01279 192 4YY -0.01223 -0.00594 -0.00895 0.04427 0.00747 193 4ZZ 0.02720 -0.00223 0.02117 -0.03023 -0.01604 194 4XY -0.00581 0.00699 -0.00455 -0.03736 0.02879 195 4XZ 0.00451 0.03078 -0.01103 -0.01546 0.02736 196 4YZ 0.00174 -0.00137 -0.00899 -0.04577 -0.01520 197 21 H 1S -0.14418 -0.03920 -0.00524 0.10786 0.02224 198 2S 0.69870 -0.06613 0.02958 -0.39446 -0.05444 199 22 C 1S -0.00301 -0.00201 0.00429 0.00948 -0.00579 200 2S 0.10564 -0.05637 -0.22897 -0.18397 -0.01380 201 2PX 0.03375 0.00950 0.10260 0.05514 -0.07801 202 2PY -0.12637 0.07061 0.15416 -0.11704 0.04148 203 2PZ 0.02941 0.00334 -0.26465 -0.26790 0.02034 204 3S -0.89054 -0.32350 0.50759 0.15613 -0.01790 205 3PX -0.10982 -0.05417 -0.29993 -0.09724 0.04050 206 3PY 0.59417 -0.28711 -0.77629 0.00088 -0.05154 207 3PZ 0.16490 0.00345 1.24142 0.51464 -0.04093 208 4XX 0.01342 0.02696 -0.00349 -0.04351 0.00921 209 4YY -0.01607 -0.01561 0.01729 -0.01230 -0.01052 210 4ZZ -0.00189 -0.01803 -0.04573 0.02331 0.00045 211 4XY 0.00381 -0.00953 0.00115 -0.05009 -0.00136 212 4XZ -0.00738 -0.02189 0.02174 -0.02642 -0.01020 213 4YZ -0.00952 0.02722 0.00595 0.09950 0.00472 214 23 H 1S -0.01170 0.07477 0.00915 0.38217 -0.03291 215 2S -0.11926 0.05851 -0.44819 -0.75426 0.05315 111 112 113 114 115 V V V V V Eigenvalues -- 0.91576 0.92346 0.92869 0.94909 0.95855 1 1 C 1S 0.00403 -0.00552 -0.02397 0.00697 0.00195 2 2S -0.17924 -0.19497 -0.67821 0.29833 -0.28612 3 2PX 0.11130 -0.02159 -0.21192 0.01168 0.20213 4 2PY -0.28422 0.07430 0.02758 -0.03885 -0.20967 5 2PZ -0.01925 -0.02731 0.17460 0.02927 -0.26810 6 3S 1.26432 0.45047 1.95746 -0.89526 1.67203 7 3PX -0.65118 0.03873 0.60311 -0.07191 -1.66548 8 3PY 1.74359 -0.28563 -0.57056 0.29200 3.88476 9 3PZ 0.25669 0.09097 -0.68718 0.06334 2.31947 10 4XX -0.01031 -0.03253 0.00272 0.00370 -0.05344 11 4YY 0.04445 -0.01158 -0.07344 0.02636 0.04413 12 4ZZ -0.04738 0.00878 -0.01139 -0.00276 -0.02409 13 4XY -0.00064 0.00881 -0.03712 0.02076 -0.00265 14 4XZ 0.02574 0.02847 0.05713 -0.00343 0.03908 15 4YZ -0.00886 0.00186 0.02886 0.01848 -0.00046 16 2 C 1S -0.01516 -0.00149 0.01338 0.00794 -0.00790 17 2S -0.64056 0.02470 0.31902 0.07495 -0.07853 18 2PX -0.06843 0.06970 -0.22979 0.13049 0.24868 19 2PY 0.09362 -0.03302 -0.06159 -0.04711 0.14494 20 2PZ -0.09597 0.07245 0.13182 -0.02512 -0.28041 21 3S 2.57168 0.13821 -1.30314 0.43229 0.43789 22 3PX 0.31431 0.03104 1.00022 -0.37493 -3.07582 23 3PY -0.38695 0.44582 -0.11030 0.08886 -0.50183 24 3PZ 0.41259 -0.33131 -0.91906 0.31873 3.03335 25 4XX -0.02611 0.01957 0.02258 0.02511 0.02634 26 4YY -0.05555 0.00835 0.02122 0.01956 -0.04726 27 4ZZ 0.00849 -0.02759 -0.00643 -0.02167 0.00484 28 4XY -0.00142 0.02810 0.05100 -0.00063 -0.02134 29 4XZ 0.02114 -0.00728 -0.00713 -0.02178 -0.01455 30 4YZ -0.00203 -0.02028 -0.03870 0.00193 0.00777 31 3 C 1S 0.00936 0.00620 -0.01071 0.00134 -0.01239 32 2S -0.34897 -0.05010 0.25761 0.21716 0.23680 33 2PX -0.04257 -0.21609 0.00371 -0.01305 0.12610 34 2PY -0.22561 -0.00321 -0.09428 -0.06150 0.24224 35 2PZ 0.23284 0.06893 0.02578 -0.02495 -0.06210 36 3S 1.36919 -0.15763 -0.77509 -0.32443 0.28272 37 3PX 0.21997 0.53642 0.28721 -0.00349 -1.68069 38 3PY 1.40807 0.02496 0.29169 0.09575 -2.66590 39 3PZ -1.13338 -0.34555 -0.14467 0.05350 1.44899 40 4XX -0.02071 -0.00854 -0.00687 0.00122 0.01848 41 4YY 0.01749 -0.01869 0.03382 0.00483 -0.01683 42 4ZZ -0.02841 0.02797 -0.01123 0.02121 0.03523 43 4XY -0.01252 -0.00588 -0.00502 -0.00599 0.02801 44 4XZ 0.03685 -0.01140 -0.03250 0.00772 -0.04692 45 4YZ 0.00321 -0.01362 -0.04398 -0.06872 -0.01220 46 4 C 1S -0.00935 0.00618 -0.01071 0.00136 0.01241 47 2S 0.34908 -0.04960 0.25769 0.21673 -0.23666 48 2PX 0.04281 -0.21582 0.00372 -0.01268 -0.12648 49 2PY -0.22567 0.00279 0.09412 0.06140 0.24213 50 2PZ -0.23287 0.06852 0.02575 -0.02491 0.06241 51 3S -1.36884 -0.15862 -0.77567 -0.32331 -0.28341 52 3PX -0.22126 0.53400 0.28709 -0.00684 1.68310 53 3PY 1.40810 -0.02088 -0.29023 -0.09221 -2.66485 54 3PZ 1.13376 -0.34255 -0.14418 0.05475 -1.45004 55 4XX 0.02074 -0.00853 -0.00687 0.00116 -0.01850 56 4YY -0.01749 -0.01872 0.03379 0.00476 0.01686 57 4ZZ 0.02840 0.02806 -0.01120 0.02130 -0.03521 58 4XY -0.01250 0.00586 0.00499 0.00601 0.02798 59 4XZ -0.03684 -0.01148 -0.03256 0.00766 0.04690 60 4YZ 0.00316 0.01362 0.04397 0.06870 -0.01218 61 5 C 1S 0.01516 -0.00147 0.01339 0.00794 0.00790 62 2S 0.64046 0.02522 0.31941 0.07465 0.07863 63 2PX 0.06850 0.07001 -0.22974 0.13073 -0.24880 64 2PY 0.09362 0.03316 0.06151 0.04742 0.14478 65 2PZ 0.09583 0.07221 0.13184 -0.02560 0.28055 66 3S -2.57063 0.13613 -1.30477 0.43291 -0.43754 67 3PX -0.31483 0.02799 0.99966 -0.37838 3.07705 68 3PY -0.38690 -0.44566 0.11058 -0.08927 -0.50002 69 3PZ -0.41175 -0.32857 -0.91892 0.32319 -3.03380 70 4XX 0.02611 0.01964 0.02267 0.02506 -0.02636 71 4YY 0.05558 0.00838 0.02119 0.01962 0.04727 72 4ZZ -0.00849 -0.02762 -0.00645 -0.02171 -0.00481 73 4XY -0.00141 -0.02806 -0.05101 0.00065 -0.02146 74 4XZ -0.02114 -0.00730 -0.00716 -0.02170 0.01451 75 4YZ -0.00209 0.02023 0.03869 -0.00202 0.00782 76 6 C 1S -0.00401 -0.00550 -0.02397 0.00699 -0.00197 77 2S 0.17992 -0.19503 -0.67809 0.29803 0.28600 78 2PX -0.11097 -0.02151 -0.21197 0.01173 -0.20196 79 2PY -0.28421 -0.07422 -0.02787 0.03942 -0.20989 80 2PZ 0.01917 -0.02753 0.17461 0.02915 0.26813 81 3S -1.26623 0.45049 1.95645 -0.89457 -1.67136 82 3PX 0.64964 0.03777 0.60301 -0.07342 1.66286 83 3PY 1.74333 0.28340 0.57189 -0.29677 3.88641 84 3PZ -0.25629 0.09274 -0.68718 0.06532 -2.31951 85 4XX 0.01033 -0.03256 0.00267 0.00370 0.05346 86 4YY -0.04439 -0.01157 -0.07342 0.02641 -0.04414 87 4ZZ 0.04739 0.00879 -0.01136 -0.00284 0.02403 88 4XY -0.00062 -0.00885 0.03717 -0.02081 -0.00252 89 4XZ -0.02578 0.02848 0.05714 -0.00336 -0.03904 90 4YZ -0.00887 -0.00183 -0.02882 -0.01843 -0.00049 91 7 H 1S -0.01105 0.00354 -0.11626 0.00250 -0.07989 92 2S 0.08982 -0.18047 0.16714 0.21459 -0.46225 93 8 H 1S 0.03165 0.00183 -0.28658 -0.13679 0.09376 94 2S -0.43343 -0.26906 0.30465 0.37803 0.22190 95 9 H 1S -0.03149 0.00193 -0.28650 -0.13635 -0.09367 96 2S 0.43342 -0.26804 0.30460 0.37762 -0.22245 97 10 H 1S 0.01115 0.00357 -0.11626 0.00251 0.07985 98 2S -0.08963 -0.18081 0.16710 0.21456 0.46225 99 11 O 1S 0.00567 -0.00583 -0.00038 0.00153 0.00382 100 2S 0.21141 -0.04055 -0.07162 0.07920 0.06442 101 2PX -0.03086 -0.03512 -0.13114 0.29871 -0.13178 102 2PY -0.01972 0.04607 0.02787 0.02062 -0.13670 103 2PZ -0.07414 -0.00340 0.08892 0.14184 -0.06921 104 3S -0.92894 0.29173 0.31090 -0.19016 -0.44669 105 3PX -0.05511 0.08746 0.03653 -0.28587 0.52868 106 3PY -0.01764 -0.02353 -0.02807 -0.11053 0.18189 107 3PZ 0.00717 0.04053 -0.00499 -0.22889 -0.30028 108 4XX 0.07893 -0.01143 -0.04529 0.02075 0.05089 109 4YY 0.03530 -0.01611 0.00589 0.01941 0.01373 110 4ZZ 0.09043 -0.02993 -0.02625 0.00386 0.03187 111 4XY -0.01314 -0.01042 -0.02529 0.01021 0.00774 112 4XZ 0.04544 -0.00366 -0.02978 0.00866 0.01510 113 4YZ -0.02235 0.01597 0.03597 0.00496 -0.02674 114 12 O 1S -0.00566 -0.00583 -0.00039 0.00153 -0.00383 115 2S -0.21132 -0.04068 -0.07177 0.07924 -0.06442 116 2PX 0.03115 -0.03487 -0.13115 0.29904 0.13206 117 2PY -0.01978 -0.04616 -0.02801 -0.02068 -0.13670 118 2PZ 0.07421 -0.00333 0.08894 0.14185 0.06950 119 3S 0.92839 0.29208 0.31162 -0.19040 0.44686 120 3PX 0.05487 0.08764 0.03665 -0.28596 -0.52913 121 3PY -0.01736 0.02376 0.02811 0.11085 0.18164 122 3PZ -0.00735 0.04013 -0.00501 -0.22947 0.29999 123 4XX -0.07888 -0.01148 -0.04538 0.02075 -0.05093 124 4YY -0.03533 -0.01612 0.00590 0.01939 -0.01374 125 4ZZ -0.09041 -0.03000 -0.02632 0.00385 -0.03186 126 4XY -0.01320 0.01039 0.02524 -0.01025 0.00772 127 4XZ -0.04541 -0.00366 -0.02978 0.00869 -0.01508 128 4YZ -0.02235 -0.01595 -0.03600 -0.00490 -0.02678 129 13 C 1S 0.00000 -0.01429 0.02251 0.01634 0.00000 130 2S 0.00003 -0.03528 -0.31619 -0.51831 -0.00010 131 2PX 0.00015 -0.07443 -0.26477 -0.23087 -0.00005 132 2PY -0.16813 -0.00013 -0.00020 -0.00014 0.08029 133 2PZ 0.00007 -0.02521 0.15476 0.29387 -0.00004 134 3S -0.00032 0.56975 1.03316 1.33843 0.00037 135 3PX -0.00073 0.48871 0.48491 0.43274 0.00052 136 3PY 1.16405 0.00089 0.00080 0.00005 -0.38613 137 3PZ 0.00010 0.24472 -0.50654 -0.07533 0.00024 138 4XX 0.00000 -0.09368 0.02304 -0.10306 -0.00004 139 4YY -0.00003 0.04718 -0.06033 -0.06232 0.00000 140 4ZZ 0.00003 0.04601 0.02147 0.11022 0.00003 141 4XY -0.00826 -0.00005 0.00003 0.00003 -0.03046 142 4XZ -0.00003 0.03490 -0.03220 0.02705 -0.00001 143 4YZ 0.03588 0.00006 -0.00001 0.00003 -0.02711 144 14 H 1S 0.00006 -0.33675 0.25510 0.12070 -0.00023 145 2S 0.00025 0.00137 -0.62380 -0.41086 -0.00005 146 15 H 1S 0.00008 0.14311 0.19311 0.65044 0.00005 147 2S -0.00001 -0.18692 -0.75524 -1.06849 -0.00010 148 16 C 1S -0.02351 0.00394 -0.00163 -0.00197 0.00370 149 2S -0.35594 0.42238 0.23387 0.06327 0.31012 150 2PX -0.12053 0.18348 -0.12042 0.06837 -0.04069 151 2PY -0.01345 -0.49478 0.12542 0.03303 -0.02462 152 2PZ 0.20033 -0.12470 -0.06112 0.06567 -0.00178 153 3S 1.25914 -1.16249 -0.32281 -0.46481 -0.86716 154 3PX 0.36490 -0.51589 0.12210 -0.15994 -0.06235 155 3PY 0.11015 0.60469 -0.18058 -0.11084 0.20002 156 3PZ -0.68267 0.34225 0.04813 -0.43435 -0.13929 157 4XX 0.01365 0.08350 -0.02569 0.02498 -0.00145 158 4YY -0.06799 -0.07375 0.05096 -0.00897 0.04294 159 4ZZ -0.00972 0.06228 0.00272 -0.01251 -0.01219 160 4XY -0.00008 0.06965 0.00369 0.04226 -0.01030 161 4XZ 0.00479 0.00843 0.01382 0.01232 -0.02262 162 4YZ -0.03157 -0.01290 0.00774 0.03410 0.02846 163 17 H 1S -0.07723 -0.48637 0.08273 -0.11672 0.07494 164 2S -0.10928 1.23569 -0.15995 0.07511 0.13168 165 18 C 1S -0.00319 -0.00180 -0.00263 -0.00247 0.00688 166 2S -0.51834 0.20154 0.06755 -0.41974 0.23227 167 2PX -0.12435 -0.02792 -0.17378 0.16088 -0.08810 168 2PY -0.21160 -0.16739 0.01615 0.15305 0.05462 169 2PZ -0.07586 0.06486 0.03862 -0.14541 0.07444 170 3S 2.08783 -0.69008 0.00478 1.25860 -0.89624 171 3PX 0.15150 0.12945 0.24231 -0.16139 0.25668 172 3PY 0.96668 0.37192 0.04856 -0.47365 -0.76571 173 3PZ 0.29101 -0.16815 -0.24078 0.14307 -0.29002 174 4XX -0.03230 0.03230 -0.01364 -0.00676 -0.01090 175 4YY 0.01092 0.01063 0.00887 -0.02673 -0.00682 176 4ZZ -0.03967 -0.02610 0.00603 -0.01284 0.04362 177 4XY -0.00968 0.01928 -0.01439 0.02568 0.00052 178 4XZ 0.01447 -0.00724 -0.01510 -0.01124 -0.00045 179 4YZ 0.02284 0.01602 -0.00535 0.00140 -0.00822 180 19 H 1S -0.05547 0.05022 0.01649 0.04817 -0.00562 181 2S -0.09999 0.37568 0.16655 -0.59576 0.04395 182 20 C 1S 0.02351 0.00396 -0.00163 -0.00199 -0.00369 183 2S 0.35562 0.42296 0.23422 0.06323 -0.30960 184 2PX 0.12057 0.18346 -0.12022 0.06846 0.04085 185 2PY -0.01370 0.49488 -0.12544 -0.03316 -0.02430 186 2PZ -0.20011 -0.12474 -0.06129 0.06600 0.00179 187 3S -1.25862 -1.16414 -0.32379 -0.46530 0.86538 188 3PX -0.36482 -0.51643 0.12142 -0.16028 0.06176 189 3PY 0.11012 -0.60474 0.18044 0.11112 0.19955 190 3PZ 0.68197 0.34258 0.04890 -0.43587 0.13898 191 4XX -0.01370 0.08358 -0.02569 0.02510 0.00152 192 4YY 0.06806 -0.07376 0.05099 -0.00903 -0.04296 193 4ZZ 0.00964 0.06229 0.00273 -0.01262 0.01222 194 4XY -0.00012 -0.06959 -0.00374 -0.04228 -0.01036 195 4XZ -0.00479 0.00838 0.01382 0.01231 0.02261 196 4YZ -0.03160 0.01281 -0.00773 -0.03412 0.02844 197 21 H 1S 0.07756 -0.48645 0.08277 -0.11668 -0.07516 198 2S 0.10850 1.23598 -0.15954 0.07492 -0.13076 199 22 C 1S 0.00319 -0.00179 -0.00263 -0.00247 -0.00689 200 2S 0.51772 0.20170 0.06782 -0.42080 -0.23273 201 2PX 0.12472 -0.02795 -0.17374 0.16073 0.08812 202 2PY -0.21184 0.16722 -0.01634 -0.15273 0.05465 203 2PZ 0.07557 0.06483 0.03867 -0.14545 -0.07441 204 3S -2.08598 -0.69078 0.00342 1.26262 0.89748 205 3PX -0.15242 0.12973 0.24235 -0.16086 -0.25622 206 3PY 0.96750 -0.37124 -0.04793 0.47288 -0.76555 207 3PZ -0.29034 -0.16794 -0.24067 0.14294 0.28971 208 4XX 0.03227 0.03232 -0.01365 -0.00681 0.01093 209 4YY -0.01098 0.01061 0.00888 -0.02677 0.00677 210 4ZZ 0.03969 -0.02607 0.00605 -0.01287 -0.04367 211 4XY -0.00969 -0.01928 0.01438 -0.02566 0.00047 212 4XZ -0.01448 -0.00725 -0.01509 -0.01120 0.00042 213 4YZ 0.02285 -0.01600 0.00535 -0.00142 -0.00824 214 23 H 1S 0.05554 0.05027 0.01647 0.04806 0.00560 215 2S 0.09885 0.37537 0.16659 -0.59607 -0.04426 116 117 118 119 120 V V V V V Eigenvalues -- 0.96805 0.99201 1.01525 1.04640 1.05789 1 1 C 1S -0.00911 0.01295 0.00911 0.01937 0.01195 2 2S 0.11829 0.17072 0.25809 0.27586 0.51931 3 2PX 0.05776 -0.05179 -0.04802 -0.05177 0.02628 4 2PY 0.19217 -0.06110 -0.14277 -0.11346 0.07233 5 2PZ -0.02137 -0.02713 0.04767 -0.00012 -0.12576 6 3S 0.29831 -0.94981 -1.08948 -1.39445 -0.52118 7 3PX 0.23741 -0.04315 0.07609 -0.09934 -0.00515 8 3PY -1.06711 0.43125 0.72059 0.48123 0.37583 9 3PZ -0.33281 0.29314 -0.10377 0.68469 0.14915 10 4XX 0.00317 -0.03947 0.02790 -0.01538 0.02016 11 4YY -0.01314 0.02053 0.01416 0.01741 0.02440 12 4ZZ 0.03174 0.05562 -0.00311 0.03902 0.04928 13 4XY -0.02547 0.05178 0.00772 0.01179 0.00213 14 4XZ -0.01922 -0.01511 -0.00234 -0.00755 -0.06718 15 4YZ 0.02435 -0.01087 -0.04200 -0.02087 0.01344 16 2 C 1S -0.00919 -0.00739 -0.03202 -0.00113 -0.00663 17 2S 0.00655 -0.15584 -0.69816 -0.11571 -0.03747 18 2PX -0.08552 0.13673 -0.08737 0.17656 -0.11055 19 2PY 0.21384 -0.05306 0.02770 -0.14660 0.12713 20 2PZ 0.16619 -0.06169 -0.00871 0.05151 -0.03297 21 3S 0.72639 0.47660 2.33065 0.31102 0.15560 22 3PX 1.23896 -0.84982 0.19770 -1.22853 0.19747 23 3PY -0.44080 0.01525 -0.51107 0.56002 -0.78722 24 3PZ -1.57360 0.32754 -0.01225 0.37691 0.12246 25 4XX 0.02172 0.04357 -0.01758 -0.00465 0.02012 26 4YY -0.05230 -0.03096 -0.09719 0.01884 -0.03395 27 4ZZ 0.03863 -0.03204 0.03211 -0.02388 0.01336 28 4XY -0.00125 -0.02031 0.01315 -0.04036 -0.07323 29 4XZ -0.05239 0.00261 0.01653 0.03579 -0.02294 30 4YZ -0.03193 0.01023 -0.03214 0.05975 0.03602 31 3 C 1S -0.01348 -0.00660 0.00596 -0.00072 -0.00888 32 2S 0.12361 0.11854 0.43124 -0.15366 -0.08074 33 2PX -0.18981 0.01431 -0.02515 0.05645 -0.13315 34 2PY -0.08080 -0.12045 -0.20348 0.02115 0.10796 35 2PZ 0.08280 -0.27060 0.02590 -0.13712 0.02964 36 3S 0.39330 -0.14858 -1.38707 -0.29354 0.81431 37 3PX 1.55950 -0.09712 0.21071 -0.46530 -0.07952 38 3PY 2.08328 0.13118 0.82751 -1.09637 0.41144 39 3PZ -0.87424 0.63976 -0.05297 0.77626 0.21630 40 4XX 0.03620 0.03209 -0.02283 0.00375 -0.02930 41 4YY 0.03388 0.00596 0.02858 -0.02390 0.00053 42 4ZZ -0.05930 -0.01720 0.03285 -0.00589 0.02372 43 4XY 0.01280 -0.02176 0.02589 -0.02669 0.00602 44 4XZ 0.00766 0.01940 -0.02178 0.03769 0.00539 45 4YZ -0.02888 -0.07805 0.06904 -0.00918 0.00043 46 4 C 1S 0.01347 -0.00660 0.00597 0.00073 0.00889 47 2S -0.12428 0.11868 0.43108 0.15376 0.08088 48 2PX 0.19011 0.01404 -0.02532 -0.05650 0.13304 49 2PY -0.08080 0.12077 0.20341 0.02107 0.10805 50 2PZ -0.08307 -0.27057 0.02585 0.13712 -0.02954 51 3S -0.39161 -0.14947 -1.38675 0.29305 -0.81422 52 3PX -1.56161 -0.09447 0.21077 0.46613 0.07941 53 3PY 2.08279 -0.13442 -0.82684 -1.09605 0.41162 54 3PZ 0.87525 0.63802 -0.05227 -0.77655 -0.21632 55 4XX -0.03622 0.03211 -0.02285 -0.00367 0.02931 56 4YY -0.03389 0.00599 0.02857 0.02386 -0.00050 57 4ZZ 0.05926 -0.01726 0.03288 0.00586 -0.02374 58 4XY 0.01282 0.02178 -0.02591 -0.02673 0.00606 59 4XZ -0.00761 0.01940 -0.02175 -0.03768 -0.00541 60 4YZ -0.02892 0.07809 -0.06908 -0.00919 0.00044 61 5 C 1S 0.00918 -0.00739 -0.03201 0.00115 0.00662 62 2S -0.00645 -0.15582 -0.69819 0.11590 0.03735 63 2PX 0.08530 0.13652 -0.08742 -0.17639 0.11056 64 2PY 0.21383 0.05314 -0.02769 -0.14667 0.12718 65 2PZ -0.16631 -0.06138 -0.00880 -0.05145 0.03297 66 3S -0.72820 0.47734 2.32974 -0.31123 -0.15494 67 3PX -1.23914 -0.84686 0.19721 1.22833 -0.19748 68 3PY -0.44142 -0.01629 0.51137 0.56043 -0.78734 69 3PZ 1.57375 0.32424 -0.01181 -0.37716 -0.12218 70 4XX -0.02171 0.04353 -0.01754 0.00469 -0.02001 71 4YY 0.05228 -0.03093 -0.09720 -0.01885 0.03383 72 4ZZ -0.03862 -0.03200 0.03207 0.02387 -0.01337 73 4XY -0.00126 0.02037 -0.01308 -0.04034 -0.07329 74 4XZ 0.05246 0.00259 0.01654 -0.03585 0.02291 75 4YZ -0.03195 -0.01019 0.03214 0.05973 0.03605 76 6 C 1S 0.00911 0.01295 0.00911 -0.01938 -0.01194 77 2S -0.11860 0.17118 0.25798 -0.27586 -0.51915 78 2PX -0.05788 -0.05196 -0.04814 0.05186 -0.02629 79 2PY 0.19208 0.06079 0.14275 -0.11348 0.07234 80 2PZ 0.02125 -0.02694 0.04768 0.00013 0.12579 81 3S -0.29748 -0.95182 -1.08916 1.39478 0.52036 82 3PX -0.23676 -0.04152 0.07682 0.09897 0.00483 83 3PY -1.06702 -0.42750 -0.72069 0.48170 0.37545 84 3PZ 0.33301 0.29136 -0.10408 -0.68463 -0.14905 85 4XX -0.00315 -0.03936 0.02790 0.01535 -0.02019 86 4YY 0.01308 0.02042 0.01414 -0.01739 -0.02438 87 4ZZ -0.03170 0.05567 -0.00311 -0.03902 -0.04926 88 4XY -0.02549 -0.05181 -0.00773 0.01184 0.00212 89 4XZ 0.01916 -0.01516 -0.00238 0.00758 0.06717 90 4YZ 0.02439 0.01085 0.04201 -0.02088 0.01350 91 7 H 1S -0.02870 0.03957 0.10921 0.04257 0.16303 92 2S -0.10819 0.04706 0.42051 0.07357 0.05203 93 8 H 1S -0.26818 -0.22708 0.09881 -0.02995 0.15343 94 2S 0.14482 0.84216 0.28520 0.25902 -0.04631 95 9 H 1S 0.26828 -0.22752 0.09907 0.02990 -0.15341 96 2S -0.14485 0.84237 0.28510 -0.25895 0.04624 97 10 H 1S 0.02868 0.03962 0.10930 -0.04266 -0.16294 98 2S 0.10768 0.04738 0.42057 -0.07365 -0.05190 99 11 O 1S 0.00157 0.00213 0.01598 0.00032 0.00671 100 2S 0.03693 0.03763 0.16622 0.07341 -0.03729 101 2PX -0.25206 -0.17013 -0.13482 0.00746 0.42968 102 2PY -0.17560 -0.03325 -0.23333 0.13526 -0.26875 103 2PZ -0.14194 -0.37070 0.09161 -0.50552 -0.01696 104 3S -0.31959 -0.18351 -1.02952 -0.01172 -0.34277 105 3PX 0.15897 0.35199 0.11845 0.15088 -0.65154 106 3PY 0.29121 0.01229 0.18644 -0.25302 0.35101 107 3PZ 0.35487 0.39981 -0.14852 0.65964 0.02253 108 4XX 0.03172 0.02748 0.08392 0.01639 0.03453 109 4YY 0.00289 0.02187 0.03716 0.03216 -0.02732 110 4ZZ 0.04195 0.00313 0.10974 -0.00654 0.01659 111 4XY -0.02364 -0.00359 -0.03148 0.02555 0.03559 112 4XZ 0.00697 0.01330 0.06435 0.00297 0.02407 113 4YZ 0.01213 -0.01367 -0.00395 -0.04529 -0.02765 114 12 O 1S -0.00157 0.00212 0.01598 -0.00033 -0.00671 115 2S -0.03719 0.03766 0.16618 -0.07338 0.03734 116 2PX 0.25171 -0.17017 -0.13484 -0.00750 -0.42968 117 2PY -0.17539 0.03314 0.23326 0.13512 -0.26907 118 2PZ 0.14148 -0.37075 0.09186 0.50547 0.01690 119 3S 0.32023 -0.18344 -1.02940 0.01196 0.34251 120 3PX -0.15858 0.35168 0.11840 -0.15079 0.65164 121 3PY 0.29090 -0.01206 -0.18640 -0.25295 0.35153 122 3PZ -0.35428 0.40027 -0.14889 -0.65955 -0.02250 123 4XX -0.03175 0.02747 0.08387 -0.01644 -0.03455 124 4YY -0.00298 0.02188 0.03720 -0.03212 0.02737 125 4ZZ -0.04202 0.00316 0.10972 0.00652 -0.01657 126 4XY -0.02367 0.00361 0.03151 0.02555 0.03557 127 4XZ -0.00701 0.01328 0.06435 -0.00295 -0.02404 128 4YZ 0.01216 0.01365 0.00400 -0.04530 -0.02767 129 13 C 1S -0.00001 -0.01391 0.01877 -0.00001 0.00000 130 2S 0.00032 -0.41276 0.02851 -0.00022 0.00004 131 2PX 0.00023 -0.20096 0.00952 -0.00006 0.00000 132 2PY -0.15864 -0.00005 -0.00002 -0.06791 -0.01846 133 2PZ -0.00008 0.21936 0.05641 -0.00003 -0.00005 134 3S -0.00093 1.64276 -0.53615 0.00081 -0.00036 135 3PX -0.00081 0.15947 0.07031 0.00025 0.00015 136 3PY 0.42673 -0.00002 0.00004 0.03880 0.04906 137 3PZ -0.00034 -0.41495 -0.01012 0.00035 0.00005 138 4XX 0.00010 -0.03268 -0.03509 -0.00003 0.00001 139 4YY 0.00002 -0.03077 0.01359 -0.00002 -0.00003 140 4ZZ -0.00010 0.00242 0.03353 0.00001 0.00002 141 4XY 0.04284 -0.00002 -0.00001 -0.04488 -0.02842 142 4XZ -0.00001 0.02945 0.03368 0.00001 -0.00001 143 4YZ 0.04450 -0.00001 0.00001 -0.03139 -0.00892 144 14 H 1S 0.00014 0.04922 0.06254 -0.00011 -0.00004 145 2S 0.00029 -0.41693 0.02419 -0.00021 -0.00001 146 15 H 1S -0.00044 0.20240 0.26282 0.00007 0.00004 147 2S 0.00060 -0.78164 -0.24234 -0.00008 0.00003 148 16 C 1S 0.00333 -0.00521 -0.00379 -0.00092 0.00309 149 2S -0.16183 -0.39170 0.43649 -0.26815 -0.02649 150 2PX -0.11097 -0.03809 -0.16640 0.07356 0.05846 151 2PY -0.05387 0.07483 -0.09063 0.02173 -0.09712 152 2PZ -0.14085 -0.10769 0.02689 -0.07818 -0.01350 153 3S 1.12597 1.27708 -0.82362 0.45259 -0.35209 154 3PX 0.33272 -0.09262 0.28017 -0.07482 -0.03809 155 3PY -0.05875 -0.55863 0.38077 -0.30064 0.24080 156 3PZ 0.67368 0.74534 -0.48163 0.16461 -0.10638 157 4XX -0.04623 -0.00607 0.01704 0.02734 0.03768 158 4YY -0.01922 -0.03879 -0.00163 -0.03611 -0.01854 159 4ZZ 0.06277 -0.00088 0.00598 -0.01740 -0.01902 160 4XY -0.01254 -0.01217 -0.00679 0.02550 0.01448 161 4XZ 0.01441 0.00803 -0.06504 0.02035 -0.00186 162 4YZ -0.01768 0.01010 0.01250 0.02410 0.02020 163 17 H 1S -0.14020 -0.11571 0.00692 -0.10117 -0.01724 164 2S -0.08267 -0.41486 0.33617 -0.17817 0.24516 165 18 C 1S 0.00241 0.01352 -0.00122 0.00031 0.00087 166 2S 0.56814 0.37665 0.05264 0.12972 0.05301 167 2PX 0.09126 0.00694 -0.05979 0.04859 -0.02643 168 2PY 0.03883 -0.10389 0.02590 0.03971 -0.00342 169 2PZ -0.07541 -0.08338 -0.00417 -0.04183 0.01019 170 3S -1.83361 -1.43507 0.48811 -0.31817 -0.02734 171 3PX -0.49057 -0.03641 0.09461 0.00202 0.26866 172 3PY 0.04813 0.64621 -0.28451 0.23308 0.06437 173 3PZ 0.43859 0.29378 -0.12801 -0.20213 -0.47775 174 4XX 0.03023 -0.00908 -0.02975 0.01446 0.00145 175 4YY 0.01113 0.03746 -0.00726 0.00419 0.00079 176 4ZZ 0.01708 0.02836 0.03527 0.00069 0.01061 177 4XY 0.00066 0.00286 0.01423 0.00937 0.01143 178 4XZ -0.03172 -0.00846 0.02528 -0.01378 0.00026 179 4YZ -0.00299 -0.05628 0.05586 -0.02420 -0.01590 180 19 H 1S 0.08218 0.16237 -0.07618 0.18994 0.15557 181 2S 0.08302 0.17628 0.01492 0.10488 0.18391 182 20 C 1S -0.00334 -0.00521 -0.00378 0.00092 -0.00309 183 2S 0.16089 -0.39199 0.43667 0.26804 0.02664 184 2PX 0.11087 -0.03811 -0.16639 -0.07348 -0.05841 185 2PY -0.05408 -0.07475 0.09059 0.02165 -0.09702 186 2PZ 0.14078 -0.10791 0.02703 0.07820 0.01347 187 3S -1.12294 1.27828 -0.82500 -0.45273 0.35177 188 3PX -0.33220 -0.09266 0.28038 0.07449 0.03805 189 3PY -0.05838 0.55824 -0.38081 -0.30020 0.24013 190 3PZ -0.67261 0.74650 -0.48252 -0.16478 0.10629 191 4XX 0.04615 -0.00611 0.01706 -0.02733 -0.03769 192 4YY 0.01924 -0.03881 -0.00159 0.03609 0.01857 193 4ZZ -0.06280 -0.00084 0.00593 0.01740 0.01902 194 4XY -0.01236 0.01217 0.00684 0.02542 0.01444 195 4XZ -0.01441 0.00809 -0.06504 -0.02036 0.00186 196 4YZ -0.01763 -0.01008 -0.01255 0.02408 0.02020 197 21 H 1S 0.14054 -0.11580 0.00709 0.10110 0.01725 198 2S 0.08150 -0.41475 0.33630 0.17808 -0.24472 199 22 C 1S -0.00240 0.01352 -0.00122 -0.00031 -0.00088 200 2S -0.56721 0.37700 0.05253 -0.12986 -0.05321 201 2PX -0.09153 0.00703 -0.05981 -0.04851 0.02652 202 2PY 0.03904 0.10387 -0.02603 0.03965 -0.00345 203 2PZ 0.07553 -0.08342 -0.00403 0.04179 -0.01017 204 3S 1.83061 -1.43667 0.48847 0.31849 0.02786 205 3PX 0.49069 -0.03659 0.09485 -0.00226 -0.26887 206 3PY 0.04738 -0.64657 0.28543 0.23310 0.06452 207 3PZ -0.43838 0.29404 -0.12902 0.20226 0.47786 208 4XX -0.03025 -0.00902 -0.02974 -0.01447 -0.00143 209 4YY -0.01106 0.03745 -0.00727 -0.00418 -0.00078 210 4ZZ -0.01702 0.02834 0.03527 -0.00071 -0.01065 211 4XY 0.00072 -0.00290 -0.01425 0.00930 0.01142 212 4XZ 0.03175 -0.00852 0.02533 0.01378 -0.00025 213 4YZ -0.00289 0.05629 -0.05584 -0.02420 -0.01592 214 23 H 1S -0.08215 0.16248 -0.07614 -0.18991 -0.15569 215 2S -0.08210 0.17639 0.01507 -0.10510 -0.18413 121 122 123 124 125 V V V V V Eigenvalues -- 1.06996 1.09270 1.12489 1.14716 1.18157 1 1 C 1S 0.00315 0.00547 0.00777 0.01721 -0.00705 2 2S 0.14878 0.25104 0.23556 0.07527 -0.26060 3 2PX 0.06383 -0.09168 0.04881 -0.11748 0.01866 4 2PY -0.00603 0.08243 0.11806 -0.14592 -0.04036 5 2PZ 0.06763 0.04455 -0.05856 0.12407 -0.10020 6 3S -0.67532 -0.94392 -1.24330 -2.43917 0.03908 7 3PX 0.03574 1.22477 -0.42344 -0.05002 -1.06225 8 3PY 0.33424 -0.94523 0.05068 1.53123 -0.41521 9 3PZ -0.02697 -1.09516 0.54567 0.07333 1.18639 10 4XX -0.05744 0.01191 -0.03310 -0.00559 -0.00266 11 4YY 0.00757 -0.01172 0.05353 -0.01856 -0.01311 12 4ZZ 0.03238 0.03372 -0.01136 0.03912 -0.02625 13 4XY 0.00557 0.03192 0.00980 0.10632 -0.03974 14 4XZ 0.01042 -0.01925 0.03405 -0.03369 0.06488 15 4YZ 0.01133 -0.03679 -0.03510 -0.03673 0.02114 16 2 C 1S 0.01114 -0.01114 -0.00093 -0.00850 -0.00196 17 2S 0.16449 -0.44245 -0.02853 -0.15564 -0.03780 18 2PX 0.18587 -0.06750 0.20155 0.09115 -0.07986 19 2PY 0.04157 -0.14459 -0.04746 0.02440 0.07336 20 2PZ 0.09369 0.05911 -0.21303 -0.27784 -0.02352 21 3S 0.13117 -0.03694 0.19942 0.06848 1.16292 22 3PX -0.81080 0.38347 -1.29966 -1.79550 0.37284 23 3PY -0.06376 -0.37577 0.41877 0.01329 0.73616 24 3PZ 0.13132 -0.99438 1.35354 2.41212 0.10393 25 4XX 0.01062 0.03367 0.00887 0.08228 -0.02278 26 4YY 0.00830 -0.05705 0.01498 -0.01690 0.01222 27 4ZZ 0.00010 -0.03634 -0.02394 -0.07754 0.03288 28 4XY 0.02487 0.02673 0.05535 -0.01463 0.00382 29 4XZ -0.03541 0.07521 0.01476 0.01086 -0.00009 30 4YZ -0.01864 0.01059 -0.06795 -0.02138 -0.01602 31 3 C 1S 0.00938 0.00023 0.00145 -0.02207 0.00748 32 2S 0.32654 -0.02795 -0.14019 -0.15169 -0.37038 33 2PX -0.03358 -0.13393 0.06624 -0.05754 -0.05652 34 2PY 0.05723 -0.06057 -0.01782 0.15338 -0.07272 35 2PZ 0.16329 -0.10166 -0.12737 0.15973 -0.03745 36 3S 0.07489 0.29938 0.96086 2.53539 0.30584 37 3PX 0.01881 0.36480 -0.35621 -0.29662 0.49007 38 3PY -0.31135 1.08797 -0.35452 -1.50559 0.33736 39 3PZ -0.16320 0.81556 0.31832 -0.17380 -0.72252 40 4XX 0.02724 -0.06905 0.04140 -0.02014 0.01841 41 4YY 0.04146 0.01541 -0.04860 0.03775 -0.01891 42 4ZZ -0.03885 0.05728 0.01507 -0.03274 -0.02439 43 4XY 0.04996 -0.01404 -0.01765 -0.07535 0.00012 44 4XZ -0.01041 -0.00220 -0.00445 -0.00300 0.05318 45 4YZ -0.01306 0.03691 -0.04166 -0.15591 -0.01754 46 4 C 1S 0.00938 -0.00025 0.00146 -0.02207 -0.00750 47 2S 0.32651 0.02768 -0.14012 -0.15168 0.36972 48 2PX -0.03334 0.13412 0.06616 -0.05745 0.05650 49 2PY -0.05738 -0.06034 0.01789 -0.15341 -0.07249 50 2PZ 0.16341 0.10153 -0.12735 0.15977 0.03735 51 3S 0.07530 -0.29980 0.95987 2.53551 -0.30406 52 3PX 0.01716 -0.36570 -0.35582 -0.29752 -0.49092 53 3PY 0.31286 1.08716 0.35452 1.50496 0.33660 54 3PZ -0.16338 -0.81520 0.31736 -0.17452 0.72330 55 4XX 0.02732 0.06908 0.04143 -0.02018 -0.01856 56 4YY 0.04139 -0.01547 -0.04861 0.03779 0.01880 57 4ZZ -0.03886 -0.05728 0.01504 -0.03274 0.02461 58 4XY -0.04998 -0.01394 0.01770 0.07530 0.00007 59 4XZ -0.01041 0.00219 -0.00445 -0.00309 -0.05315 60 4YZ 0.01309 0.03682 0.04165 0.15593 -0.01752 61 5 C 1S 0.01115 0.01113 -0.00093 -0.00850 0.00198 62 2S 0.16481 0.44216 -0.02862 -0.15576 0.03838 63 2PX 0.18597 0.06731 0.20152 0.09114 0.07988 64 2PY -0.04162 -0.14454 0.04756 -0.02433 0.07327 65 2PZ 0.09356 -0.05916 -0.21305 -0.27792 0.02344 66 3S 0.13120 0.03685 0.20083 0.06901 -1.16523 67 3PX -0.81199 -0.38204 -1.29917 -1.79519 -0.37395 68 3PY 0.06334 -0.37555 -0.42034 -0.01481 0.73757 69 3PZ 0.13321 0.99399 1.35365 2.41218 -0.10362 70 4XX 0.01065 -0.03377 0.00889 0.08224 0.02302 71 4YY 0.00829 0.05706 0.01493 -0.01687 -0.01223 72 4ZZ 0.00012 0.03640 -0.02390 -0.07753 -0.03306 73 4XY -0.02481 0.02670 -0.05536 0.01472 0.00385 74 4XZ -0.03549 -0.07518 0.01469 0.01086 0.00008 75 4YZ 0.01857 0.01053 0.06798 0.02143 -0.01603 76 6 C 1S 0.00315 -0.00547 0.00777 0.01722 0.00704 77 2S 0.14877 -0.25120 0.23557 0.07551 0.26038 78 2PX 0.06395 0.09157 0.04892 -0.11761 -0.01865 79 2PY 0.00619 0.08256 -0.11800 0.14577 -0.04025 80 2PZ 0.06752 -0.04459 -0.05858 0.12410 0.10014 81 3S -0.67450 0.94480 -1.24381 -2.44048 -0.03850 82 3PX 0.03449 -1.22404 -0.42404 -0.04886 1.06296 83 3PY -0.33635 -0.94594 -0.05093 -1.53066 -0.41485 84 3PZ -0.02546 1.09492 0.54623 0.07301 -1.18683 85 4XX -0.05744 -0.01186 -0.03308 -0.00545 0.00267 86 4YY 0.00760 0.01175 0.05351 -0.01870 0.01303 87 4ZZ 0.03237 -0.03378 -0.01137 0.03912 0.02633 88 4XY -0.00560 0.03193 -0.00985 -0.10632 -0.03995 89 4XZ 0.01041 0.01924 0.03405 -0.03372 -0.06489 90 4YZ -0.01136 -0.03674 0.03512 0.03672 0.02094 91 7 H 1S 0.11628 0.31820 -0.12790 0.29795 -0.40524 92 2S 0.17566 0.43852 -0.09943 0.39310 -0.58717 93 8 H 1S -0.01251 0.31818 0.01685 -0.29327 -0.13749 94 2S -0.08827 0.23202 0.08021 -0.43770 -0.25287 95 9 H 1S -0.01260 -0.31811 0.01665 -0.29339 0.13773 96 2S -0.08846 -0.23176 0.07999 -0.43780 0.25281 97 10 H 1S 0.11607 -0.31826 -0.12804 0.29802 0.40535 98 2S 0.17528 -0.43859 -0.09963 0.39324 0.58734 99 11 O 1S 0.00298 0.01060 -0.00205 -0.00398 -0.00850 100 2S 0.12441 0.03103 0.03746 -0.12045 0.00860 101 2PX -0.31861 -0.26781 -0.31490 0.08467 0.03480 102 2PY 0.15391 -0.08286 0.07625 -0.07130 0.11220 103 2PZ -0.17744 0.01569 0.39484 0.09001 0.12278 104 3S -0.32141 -0.37547 0.08130 0.22486 0.26241 105 3PX 0.55548 0.33907 0.69629 0.16583 -0.08292 106 3PY -0.26764 0.03129 -0.12237 0.16669 -0.08179 107 3PZ 0.18826 0.10816 -0.79958 -0.51453 -0.18633 108 4XX 0.01962 0.03273 -0.01180 -0.00390 -0.02434 109 4YY 0.03341 0.02689 0.01818 -0.05014 -0.01340 110 4ZZ 0.03057 0.02822 0.00375 -0.03268 0.00433 111 4XY -0.02299 -0.04500 -0.04976 -0.00668 0.00014 112 4XZ -0.00123 0.02730 0.00217 0.00918 -0.00731 113 4YZ 0.00473 -0.00983 0.06207 0.01536 0.02014 114 12 O 1S 0.00297 -0.01060 -0.00206 -0.00398 0.00851 115 2S 0.12436 -0.03118 0.03747 -0.12047 -0.00876 116 2PX -0.31806 0.26811 -0.31476 0.08464 -0.03505 117 2PY -0.15411 -0.08242 -0.07651 0.07140 0.11240 118 2PZ -0.17758 -0.01559 0.39486 0.09020 -0.12268 119 3S -0.32130 0.37553 0.08139 0.22494 -0.26258 120 3PX 0.55478 -0.33965 0.69607 0.16590 0.08329 121 3PY 0.26793 0.03066 0.12292 -0.16664 -0.08204 122 3PZ 0.18820 -0.10822 -0.79963 -0.51483 0.18609 123 4XX 0.01959 -0.03269 -0.01186 -0.00391 0.02437 124 4YY 0.03340 -0.02700 0.01822 -0.05015 0.01337 125 4ZZ 0.03055 -0.02821 0.00377 -0.03267 -0.00440 126 4XY 0.02293 -0.04504 0.04972 0.00671 0.00018 127 4XZ -0.00123 -0.02729 0.00222 0.00921 0.00729 128 4YZ -0.00471 -0.00984 -0.06207 -0.01538 0.02011 129 13 C 1S -0.00421 0.00000 -0.01095 0.01444 0.00001 130 2S -0.03073 0.00000 -0.06611 0.49032 0.00015 131 2PX 0.03082 0.00003 -0.02495 0.06912 0.00000 132 2PY 0.00000 -0.01563 -0.00003 0.00002 -0.00867 133 2PZ -0.09551 0.00004 -0.02389 0.00806 -0.00003 134 3S -0.20849 -0.00028 0.13185 -1.51440 -0.00096 135 3PX 0.19797 -0.00014 0.04158 -0.10602 0.00030 136 3PY 0.00006 -0.12210 0.00009 0.00003 -0.34934 137 3PZ 0.24551 -0.00043 0.20047 -0.72709 0.00032 138 4XX -0.00395 0.00005 -0.02025 0.13096 0.00003 139 4YY -0.05984 -0.00001 0.00156 -0.08533 0.00000 140 4ZZ 0.05215 -0.00004 -0.00725 0.02046 -0.00001 141 4XY 0.00002 -0.02216 0.00001 0.00008 -0.07251 142 4XZ -0.08286 0.00002 0.03091 -0.08193 0.00008 143 4YZ -0.00003 0.00080 0.00002 -0.00004 -0.01861 144 14 H 1S -0.09739 0.00012 -0.03792 0.10094 -0.00001 145 2S 0.01350 0.00000 -0.06539 0.27589 0.00001 146 15 H 1S -0.01862 -0.00005 0.03947 -0.17205 0.00019 147 2S 0.07785 -0.00009 0.13076 0.10543 0.00032 148 16 C 1S 0.00045 0.01708 -0.00719 0.00032 -0.00179 149 2S 0.18337 0.29736 -0.35462 0.04253 -0.33480 150 2PX 0.00055 -0.01078 0.04044 -0.01851 0.11600 151 2PY -0.09031 -0.17657 0.04692 -0.10585 -0.18406 152 2PZ 0.07282 0.00091 0.00893 -0.07887 -0.13640 153 3S -1.07163 -2.07968 0.99538 0.33838 -0.57683 154 3PX 0.04111 0.14252 -0.15261 0.25352 -0.40407 155 3PY 0.29210 0.46911 -0.12769 0.62177 0.55989 156 3PZ -0.68227 -0.55228 0.23191 0.38920 0.26674 157 4XX -0.04216 0.03200 0.00496 -0.06973 0.04960 158 4YY 0.08128 0.05268 -0.03156 0.06266 -0.00534 159 4ZZ -0.02680 -0.06445 -0.00970 0.04092 -0.06958 160 4XY 0.00655 -0.04133 -0.02272 0.00167 0.02497 161 4XZ 0.04376 -0.01268 -0.00274 0.12785 0.09162 162 4YZ 0.01280 0.02638 -0.00038 -0.00926 0.05284 163 17 H 1S 0.09692 0.26171 -0.00268 0.00674 0.18649 164 2S 0.12126 0.33447 -0.24366 0.30799 0.33326 165 18 C 1S -0.02363 -0.00199 0.01138 -0.00410 0.00024 166 2S -0.72231 -0.13083 0.19508 0.06663 0.15835 167 2PX 0.16966 -0.11081 0.03042 -0.07221 -0.14241 168 2PY 0.10537 0.02499 -0.00213 -0.05857 0.02718 169 2PZ 0.09353 0.13326 -0.04887 0.06276 0.10219 170 3S 1.95377 0.67699 -0.66569 -0.50494 -0.60507 171 3PX -0.21409 0.73791 -0.08779 0.01661 0.88173 172 3PY -0.69277 -0.37584 0.11642 0.13949 0.29018 173 3PZ -0.30902 -1.63800 0.34417 0.00690 -1.57887 174 4XX 0.05718 -0.01884 -0.01817 0.05455 0.02600 175 4YY -0.06564 -0.01219 0.02925 -0.00488 0.00537 176 4ZZ -0.06297 0.02622 0.01903 -0.04977 -0.00633 177 4XY -0.02365 0.00305 0.01160 -0.08489 0.02812 178 4XZ -0.02723 0.01739 0.01230 -0.07135 -0.03702 179 4YZ 0.01292 -0.04393 -0.01599 -0.04113 -0.09018 180 19 H 1S -0.16867 0.23562 0.01922 -0.02308 0.53204 181 2S -0.40290 0.40810 -0.05781 0.17127 0.64138 182 20 C 1S 0.00044 -0.01709 -0.00720 0.00031 0.00178 183 2S 0.18328 -0.29759 -0.35481 0.04254 0.33450 184 2PX 0.00058 0.01071 0.04049 -0.01859 -0.11590 185 2PY 0.09016 -0.17663 -0.04681 0.10587 -0.18432 186 2PZ 0.07290 -0.00106 0.00882 -0.07888 0.13651 187 3S -1.07064 2.08139 0.99590 0.33882 0.57797 188 3PX 0.04091 -0.14228 -0.15285 0.25380 0.40400 189 3PY -0.29152 0.46868 0.12702 -0.62189 0.55991 190 3PZ -0.68232 0.55322 0.23257 0.38936 -0.26717 191 4XX -0.04213 -0.03198 0.00495 -0.06974 -0.04959 192 4YY 0.08123 -0.05275 -0.03156 0.06265 0.00526 193 4ZZ -0.02678 0.06448 -0.00970 0.04095 0.06961 194 4XY -0.00667 -0.04128 0.02272 -0.00179 0.02500 195 4XZ 0.04375 0.01264 -0.00270 0.12783 -0.09172 196 4YZ -0.01271 0.02636 0.00036 0.00936 0.05279 197 21 H 1S 0.09663 -0.26166 -0.00265 0.00672 -0.18632 198 2S 0.12122 -0.33461 -0.24335 0.30810 -0.33359 199 22 C 1S -0.02363 0.00201 0.01138 -0.00410 -0.00022 200 2S -0.72255 0.13153 0.19525 0.06677 -0.15799 201 2PX 0.16984 0.11058 0.03039 -0.07226 0.14242 202 2PY -0.10525 0.02517 0.00219 0.05854 0.02708 203 2PZ 0.09341 -0.13330 -0.04888 0.06275 -0.10233 204 3S 1.95466 -0.67908 -0.66668 -0.50557 0.60501 205 3PX -0.21498 -0.73755 -0.08767 0.01664 -0.88202 206 3PY 0.69217 -0.37712 -0.11674 -0.13959 0.29003 207 3PZ -0.30769 1.63842 0.34430 0.00725 1.57952 208 4XX 0.05715 0.01878 -0.01813 0.05444 -0.02615 209 4YY -0.06560 0.01226 0.02924 -0.00480 -0.00521 210 4ZZ -0.06300 -0.02618 0.01902 -0.04974 0.00633 211 4XY 0.02374 0.00307 -0.01165 0.08495 0.02817 212 4XZ -0.02720 -0.01736 0.01227 -0.07136 0.03717 213 4YZ -0.01299 -0.04391 0.01602 0.04108 -0.09022 214 23 H 1S -0.16892 -0.23555 0.01935 -0.02310 -0.53214 215 2S -0.40331 -0.40776 -0.05770 0.17129 -0.64171 126 127 128 129 130 V V V V V Eigenvalues -- 1.20918 1.22387 1.23322 1.27426 1.28335 1 1 C 1S 0.01314 0.00013 -0.02432 -0.00943 -0.02157 2 2S 0.21652 -0.03765 -0.59553 -0.28517 -0.38728 3 2PX 0.01125 0.05978 0.04111 -0.10080 0.01712 4 2PY 0.07302 -0.06791 -0.07732 -0.19778 -0.03145 5 2PZ 0.02742 -0.07280 0.00080 0.08620 -0.10176 6 3S -1.06610 -0.00127 3.05570 -0.00765 2.00843 7 3PX -0.42909 0.02988 0.24058 0.61403 0.34595 8 3PY -0.00104 0.32523 -0.83358 0.96076 -1.39565 9 3PZ 0.45032 -0.06434 -0.47893 -0.65584 -0.29751 10 4XX 0.07338 0.00579 -0.01057 0.04065 -0.01722 11 4YY 0.04091 0.02112 0.00230 -0.07140 -0.00686 12 4ZZ -0.11039 -0.02981 -0.03823 0.03952 0.00943 13 4XY -0.14136 0.09690 -0.03438 0.02888 -0.01827 14 4XZ -0.02777 -0.06017 0.00789 0.01499 0.04422 15 4YZ -0.14944 0.08737 0.06110 -0.03130 0.03243 16 2 C 1S -0.01526 0.01470 0.00450 0.02115 0.00503 17 2S -0.43844 0.42951 0.09550 0.61667 0.07807 18 2PX -0.00182 0.09900 -0.22916 0.08073 -0.22966 19 2PY -0.11323 0.06963 0.09342 0.11052 -0.03130 20 2PZ -0.07281 -0.05504 0.30227 -0.07139 0.19902 21 3S 1.46842 -1.99635 -0.34844 -1.65100 -0.84841 22 3PX -0.20805 -0.74776 2.07131 -0.68605 1.71732 23 3PY 1.10515 -0.79806 0.01664 -1.62958 -0.72042 24 3PZ 0.55558 0.66945 -2.43122 0.65582 -1.99731 25 4XX -0.22269 0.04938 0.01529 -0.07164 0.08939 26 4YY 0.00325 -0.01563 -0.03239 0.04781 -0.02081 27 4ZZ 0.17687 -0.02357 0.02113 0.07327 -0.08148 28 4XY 0.01147 0.00801 -0.00358 -0.03571 0.03655 29 4XZ 0.02616 -0.08058 -0.03577 -0.01888 0.04775 30 4YZ -0.03138 0.00347 0.08024 -0.10420 0.06374 31 3 C 1S 0.00717 -0.02529 0.00016 0.01525 -0.00359 32 2S 0.34238 -0.22698 0.10959 0.11181 0.06752 33 2PX 0.09435 0.22261 -0.12544 -0.05946 0.13110 34 2PY 0.10376 -0.14175 0.11139 -0.06065 -0.06761 35 2PZ -0.03059 -0.01219 -0.01551 0.04750 -0.09599 36 3S -0.50266 1.50499 -1.33795 0.80827 0.62389 37 3PX 0.14217 -0.84216 1.32637 -0.71262 -0.36367 38 3PY -0.46984 -0.08910 0.90924 -0.05584 2.63128 39 3PZ -0.21040 0.63408 -0.39504 0.32648 0.93283 40 4XX 0.15367 -0.04198 -0.02267 0.14589 -0.15162 41 4YY 0.05382 -0.02983 0.01048 -0.02248 0.01260 42 4ZZ -0.17330 0.03760 -0.00092 -0.05252 0.14162 43 4XY 0.03985 0.07905 0.01105 0.14527 -0.03647 44 4XZ -0.00847 -0.05926 0.00748 0.03847 -0.03293 45 4YZ 0.08995 0.02835 0.02710 0.10439 0.02627 46 4 C 1S 0.00717 -0.02529 -0.00016 0.01524 0.00372 47 2S 0.34321 -0.22717 -0.10951 0.11237 -0.06616 48 2PX 0.09468 0.22255 0.12539 -0.05868 -0.13128 49 2PY -0.10378 0.14199 0.11155 0.06102 -0.06747 50 2PZ -0.03059 -0.01212 0.01546 0.04692 0.09648 51 3S -0.50463 1.50696 1.33666 0.81119 -0.62073 52 3PX 0.14064 -0.84278 -1.32692 -0.71486 0.35786 53 3PY 0.47078 0.08773 0.90759 0.04004 2.63192 54 3PZ -0.20902 0.63429 0.39513 0.33194 -0.93131 55 4XX 0.15361 -0.04186 0.02265 0.14515 0.15271 56 4YY 0.05381 -0.02991 -0.01050 -0.02252 -0.01265 57 4ZZ -0.17320 0.03758 0.00096 -0.05171 -0.14219 58 4XY -0.03973 -0.07908 0.01107 -0.14495 -0.03710 59 4XZ -0.00848 -0.05929 -0.00747 0.03833 0.03310 60 4YZ -0.08996 -0.02840 0.02700 -0.10454 0.02565 61 5 C 1S -0.01527 0.01472 -0.00450 0.02118 -0.00492 62 2S -0.43868 0.42986 -0.09547 0.61711 -0.07457 63 2PX -0.00188 0.09918 0.22903 0.07946 0.23006 64 2PY 0.11343 -0.06962 0.09359 -0.11028 -0.03183 65 2PZ -0.07276 -0.05504 -0.30212 -0.07019 -0.19944 66 3S 1.46766 -1.99703 0.34865 -1.65565 0.83954 67 3PX -0.20766 -0.74904 -2.07056 -0.67716 -1.72015 68 3PY -1.10469 0.79815 0.01548 1.63319 -0.71241 69 3PZ 0.55544 0.66979 2.42986 0.64397 2.00089 70 4XX -0.22262 0.04938 -0.01536 -0.07115 -0.08996 71 4YY 0.00321 -0.01562 0.03240 0.04773 0.02119 72 4ZZ 0.17678 -0.02356 -0.02105 0.07279 0.08193 73 4XY -0.01169 -0.00796 -0.00365 0.03538 0.03684 74 4XZ 0.02617 -0.08062 0.03576 -0.01871 -0.04796 75 4YZ 0.03135 -0.00347 0.08022 0.10381 0.06451 76 6 C 1S 0.01315 0.00013 0.02431 -0.00956 0.02151 77 2S 0.21664 -0.03740 0.59547 -0.28760 0.38556 78 2PX 0.01126 0.05979 -0.04101 -0.10083 -0.01771 79 2PY -0.07298 0.06785 -0.07739 0.19791 -0.03032 80 2PZ 0.02750 -0.07286 -0.00083 0.08557 0.10235 81 3S -1.06572 -0.00198 -3.05451 0.00460 -2.00833 82 3PX -0.42805 0.03001 -0.23986 0.61651 -0.34134 83 3PY -0.00004 -0.32498 -0.83316 -0.95221 -1.40142 84 3PZ 0.44929 -0.06405 0.47875 -0.65720 0.29348 85 4XX 0.07321 0.00589 0.01065 0.04055 0.01735 86 4YY 0.04108 0.02101 -0.00236 -0.07148 0.00640 87 4ZZ -0.11036 -0.02978 0.03821 0.03958 -0.00906 88 4XY 0.14134 -0.09690 -0.03429 -0.02867 -0.01831 89 4XZ -0.02790 -0.06013 -0.00792 0.01525 -0.04410 90 4YZ 0.14946 -0.08742 0.06111 0.03110 0.03269 91 7 H 1S -0.06043 0.08550 -0.21459 0.23236 -0.25619 92 2S -0.11379 -0.03953 -0.33336 0.49510 -0.35627 93 8 H 1S -0.18330 0.06502 0.00988 0.10845 0.41970 94 2S 0.15144 0.10377 -0.05182 0.14372 0.62255 95 9 H 1S -0.18298 0.06513 -0.00972 0.11097 -0.41900 96 2S 0.15210 0.10374 0.05200 0.14741 -0.62169 97 10 H 1S -0.06005 0.08545 0.21449 0.23075 0.25756 98 2S -0.11320 -0.03960 0.33326 0.49282 0.35924 99 11 O 1S -0.00635 -0.00656 -0.00895 0.01675 0.00587 100 2S 0.05507 -0.22891 -0.13439 0.08301 0.05262 101 2PX 0.07777 -0.05751 0.07905 0.03563 0.01458 102 2PY 0.09924 -0.15413 0.02174 -0.14156 -0.02595 103 2PZ 0.02193 0.04536 -0.23224 0.01348 0.02315 104 3S 0.20631 0.42648 0.43134 -0.75069 -0.30159 105 3PX -0.05603 0.19959 -0.44462 -0.02570 -0.25913 106 3PY -0.12075 0.34153 0.12153 0.05047 -0.01918 107 3PZ -0.10745 -0.18404 0.79972 -0.22832 0.27872 108 4XX -0.04478 -0.04208 -0.01513 0.02245 0.02661 109 4YY 0.00484 -0.06190 -0.04506 0.02530 0.04431 110 4ZZ 0.05025 -0.06496 -0.05281 0.05921 -0.01719 111 4XY 0.01322 -0.00760 0.03061 0.03201 -0.02102 112 4XZ 0.01133 -0.02789 -0.05013 0.03996 0.01646 113 4YZ 0.00184 0.03006 -0.08828 0.07147 -0.03337 114 12 O 1S -0.00633 -0.00656 0.00897 0.01679 -0.00577 115 2S 0.05514 -0.22884 0.13457 0.08337 -0.05208 116 2PX 0.07783 -0.05778 -0.07914 0.03561 -0.01424 117 2PY -0.09909 0.15410 0.02165 0.14169 -0.02520 118 2PZ 0.02176 0.04548 0.23219 0.01358 -0.02306 119 3S 0.20580 0.42615 -0.43194 -0.75255 0.29714 120 3PX -0.05607 0.20019 0.44450 -0.02718 0.25863 121 3PY 0.12075 -0.34134 0.12205 -0.05029 -0.01923 122 3PZ -0.10713 -0.18434 -0.79942 -0.22662 -0.28012 123 4XX -0.04472 -0.04210 0.01510 0.02265 -0.02641 124 4YY 0.00487 -0.06187 0.04516 0.02554 -0.04423 125 4ZZ 0.05026 -0.06493 0.05289 0.05913 0.01758 126 4XY -0.01325 0.00765 0.03059 -0.03187 -0.02131 127 4XZ 0.01134 -0.02787 0.05021 0.04009 -0.01616 128 4YZ -0.00178 -0.03015 -0.08820 -0.07126 -0.03389 129 13 C 1S -0.04717 -0.03962 0.00001 -0.06765 -0.00021 130 2S -0.62302 -0.58177 0.00011 -0.91831 -0.00280 131 2PX 0.01296 0.06383 0.00001 0.07334 0.00035 132 2PY 0.00003 0.00001 0.10199 0.00060 -0.17886 133 2PZ 0.06126 0.25472 -0.00003 -0.19908 -0.00061 134 3S 2.57327 3.82290 -0.00108 1.86677 0.00574 135 3PX -0.53315 -1.55547 0.00020 0.16137 -0.00006 136 3PY -0.00051 -0.00069 -0.26256 -0.00199 0.73567 137 3PZ -0.53715 -0.08675 -0.00025 0.81183 0.00234 138 4XX 0.00486 -0.01687 0.00001 -0.09107 -0.00031 139 4YY -0.05151 0.10427 -0.00002 -0.05769 -0.00014 140 4ZZ -0.05181 -0.12797 0.00002 -0.01684 -0.00006 141 4XY 0.00002 0.00001 0.04156 -0.00016 0.05108 142 4XZ -0.08226 -0.02166 -0.00002 0.01693 0.00004 143 4YZ 0.00001 0.00007 0.04260 0.00000 0.00527 144 14 H 1S 0.00058 0.10454 0.00005 -0.32292 -0.00088 145 2S -0.12796 0.23947 0.00004 -0.34881 -0.00091 146 15 H 1S -0.36143 -0.36268 0.00003 -0.09508 -0.00034 147 2S -0.55188 -0.32942 0.00003 0.19060 0.00047 148 16 C 1S 0.00326 0.01823 0.02030 -0.01390 0.00045 149 2S 0.10854 0.45391 0.38028 -0.47472 0.08583 150 2PX -0.02676 -0.05030 -0.04333 0.08473 -0.02348 151 2PY -0.05869 0.13179 -0.13828 -0.10279 0.16226 152 2PZ -0.11819 -0.01437 0.03682 0.06986 0.03391 153 3S -0.56768 -2.34407 -1.30536 0.76397 -0.27564 154 3PX -0.15949 -0.10578 0.19718 -0.59248 0.35854 155 3PY -0.38640 -2.00727 1.06820 0.24865 -1.69124 156 3PZ 0.79234 0.15553 0.02804 0.16584 -1.08800 157 4XX -0.04007 -0.02959 -0.02020 -0.03262 0.02984 158 4YY 0.02524 -0.02407 0.09054 -0.00813 -0.06763 159 4ZZ 0.02377 0.05628 -0.02085 -0.00971 0.01544 160 4XY 0.05831 0.04056 -0.06931 -0.00237 0.00854 161 4XZ 0.06456 -0.03055 -0.00185 0.01937 -0.13480 162 4YZ 0.01217 -0.04232 -0.01980 0.03244 -0.00864 163 17 H 1S -0.06967 -0.19279 0.37107 0.04639 -0.46206 164 2S 0.09712 -0.45715 0.52832 -0.02301 -0.71523 165 18 C 1S 0.00006 -0.01642 -0.00947 0.01666 0.00481 166 2S -0.04857 -0.49821 -0.32020 0.28866 0.20365 167 2PX -0.06808 -0.02244 0.03351 -0.00102 -0.04495 168 2PY -0.12794 -0.13890 0.01028 0.04463 0.06420 169 2PZ 0.05640 0.04266 0.06534 -0.01731 -0.03883 170 3S -0.58773 0.82423 0.28658 -0.62711 1.14886 171 3PX 0.06655 0.29660 -0.23876 -0.14196 0.50592 172 3PY 0.59757 0.89300 -0.87125 -0.32395 0.52837 173 3PZ -0.16180 -1.05641 0.00488 0.65214 -0.89877 174 4XX 0.08233 0.05771 0.00934 -0.05534 -0.08233 175 4YY -0.03705 -0.09318 -0.01636 0.08868 0.01449 176 4ZZ -0.02938 -0.00879 -0.03162 -0.00475 0.09623 177 4XY 0.09857 0.06509 -0.01310 0.04533 -0.00372 178 4XZ -0.10544 -0.05078 0.03422 -0.05121 0.01999 179 4YZ -0.02056 0.01075 0.01063 -0.01141 -0.00596 180 19 H 1S 0.09928 0.33577 -0.20998 -0.19586 0.20464 181 2S 0.24397 0.37374 -0.26589 -0.22627 0.31903 182 20 C 1S 0.00326 0.01822 -0.02032 -0.01388 -0.00055 183 2S 0.10924 0.45362 -0.38061 -0.47404 -0.08869 184 2PX -0.02707 -0.05016 0.04335 0.08454 0.02399 185 2PY 0.05844 -0.13183 -0.13823 0.10190 0.16312 186 2PZ -0.11807 -0.01440 -0.03683 0.06995 -0.03348 187 3S -0.56792 -2.34403 1.30685 0.76039 0.28006 188 3PX -0.15895 -0.10696 -0.19737 -0.59036 -0.36135 189 3PY 0.38745 2.00742 1.06720 -0.23837 -1.69324 190 3PZ 0.79135 0.15551 -0.02797 0.15892 1.08876 191 4XX -0.04002 -0.02947 0.02019 -0.03244 -0.02992 192 4YY 0.02519 -0.02416 -0.09055 -0.00846 0.06763 193 4ZZ 0.02380 0.05622 0.02084 -0.00968 -0.01567 194 4XY -0.05839 -0.04066 -0.06924 0.00226 0.00860 195 4XZ 0.06435 -0.03055 0.00192 0.01864 0.13472 196 4YZ -0.01212 0.04224 -0.01986 -0.03238 -0.00869 197 21 H 1S -0.07007 -0.19286 -0.37099 0.04363 0.46210 198 2S 0.09654 -0.45725 -0.52828 -0.02726 0.71537 199 22 C 1S 0.00006 -0.01643 0.00947 0.01667 -0.00472 200 2S -0.04874 -0.49855 0.32032 0.28954 -0.20222 201 2PX -0.06808 -0.02249 -0.03350 -0.00133 0.04490 202 2PY 0.12789 0.13885 0.01018 -0.04504 0.06413 203 2PZ 0.05631 0.04271 -0.06533 -0.01749 0.03895 204 3S -0.58597 0.82575 -0.28672 -0.61804 -1.15273 205 3PX 0.06640 0.29725 0.23907 -0.13832 -0.50694 206 3PY -0.59734 -0.89307 -0.87059 0.31970 0.52931 207 3PZ -0.16105 -1.05734 -0.00457 0.64500 0.90233 208 4XX 0.08233 0.05781 -0.00935 -0.05575 0.08199 209 4YY -0.03717 -0.09325 0.01638 0.08872 -0.01404 210 4ZZ -0.02929 -0.00883 0.03161 -0.00420 -0.09614 211 4XY -0.09845 -0.06500 -0.01292 -0.04542 -0.00429 212 4XZ -0.10542 -0.05078 -0.03427 -0.05115 -0.02010 213 4YZ 0.02040 -0.01078 0.01066 0.01149 -0.00587 214 23 H 1S 0.09882 0.33591 0.20979 -0.19430 -0.20577 215 2S 0.24347 0.37383 0.26566 -0.22383 -0.32005 131 132 133 134 135 V V V V V Eigenvalues -- 1.34169 1.35790 1.40071 1.40799 1.41787 1 1 C 1S -0.01285 0.00048 0.01127 0.00636 0.00485 2 2S -0.48718 -0.01929 0.10474 -0.03361 -0.05946 3 2PX -0.14680 -0.02759 -0.04638 -0.02449 -0.08356 4 2PY -0.08779 0.03053 0.05805 -0.06529 -0.10461 5 2PZ 0.10512 0.06233 -0.00084 0.01881 0.07170 6 3S 1.26756 -0.08708 -0.75730 -0.41531 -1.03808 7 3PX 0.66693 -0.00041 -0.37255 -0.21905 0.24005 8 3PY 0.23489 0.00364 -0.05290 0.26413 0.89967 9 3PZ -1.04707 -0.07846 0.39201 0.24593 -0.10102 10 4XX 0.05722 -0.17915 -0.02117 -0.03239 0.18280 11 4YY -0.01528 -0.03057 0.04089 -0.01387 -0.01871 12 4ZZ -0.07742 0.21156 -0.02881 0.04925 -0.15486 13 4XY 0.00712 0.03224 0.16335 0.01762 -0.06391 14 4XZ 0.05098 0.07560 -0.10208 0.01635 -0.02507 15 4YZ -0.06384 0.00445 0.14180 -0.02091 -0.10781 16 2 C 1S -0.01954 -0.00400 -0.01021 -0.00270 0.00776 17 2S -0.58801 -0.09588 -0.32628 -0.20127 0.18220 18 2PX -0.16975 -0.06793 -0.00375 -0.08743 0.14846 19 2PY -0.15619 0.01441 -0.08582 -0.05836 0.02265 20 2PZ -0.09782 -0.03533 -0.04112 -0.09206 -0.01733 21 3S 1.73981 0.77707 0.03543 -0.21643 -0.56116 22 3PX 1.40036 0.33814 -0.40600 -0.41593 -1.30736 23 3PY 0.69629 0.00137 1.19332 0.23805 -0.35254 24 3PZ -0.58083 0.10576 0.67727 0.75201 0.93722 25 4XX -0.10346 0.08094 0.01641 0.03403 -0.05243 26 4YY 0.03731 0.04880 -0.00366 0.02358 -0.06716 27 4ZZ 0.06160 -0.13891 -0.05121 -0.05390 0.11541 28 4XY -0.02030 -0.14265 -0.05989 -0.10872 0.20322 29 4XZ 0.10920 -0.00211 -0.08971 0.07242 0.00514 30 4YZ -0.06322 -0.11596 0.00357 -0.03368 0.12273 31 3 C 1S 0.01577 0.02334 -0.02971 -0.01807 -0.01352 32 2S 0.66087 0.46022 -0.49444 -0.54771 -0.15802 33 2PX 0.02810 0.11092 -0.07633 -0.09873 -0.09526 34 2PY -0.01742 0.09485 0.09586 0.04570 0.11282 35 2PZ 0.08721 0.10491 -0.08363 -0.14808 0.13869 36 3S -3.48348 -0.82111 1.28519 1.20477 1.75509 37 3PX 1.11066 -0.16868 0.32113 -0.34471 -0.13131 38 3PY -0.58673 -0.11778 -0.82496 -0.44670 -0.88988 39 3PZ -1.27200 -0.32774 -0.04466 0.71376 -0.02380 40 4XX 0.06908 -0.01046 0.03968 0.02065 -0.06941 41 4YY -0.00245 0.08989 0.01857 0.00104 0.02006 42 4ZZ -0.06902 -0.06491 -0.11410 -0.03087 0.01557 43 4XY -0.03773 -0.03692 0.03186 -0.03600 0.06890 44 4XZ -0.02871 0.00031 -0.00760 0.09257 0.02765 45 4YZ 0.03340 -0.02791 -0.00006 0.00078 -0.10426 46 4 C 1S -0.01583 0.02331 -0.02988 0.01785 -0.01344 47 2S -0.66224 0.45875 -0.49903 0.54405 -0.15620 48 2PX -0.02854 0.11107 -0.07693 0.09824 -0.09495 49 2PY -0.01745 -0.09472 -0.09631 0.04522 -0.11270 50 2PZ -0.08742 0.10454 -0.08482 0.14722 0.13911 51 3S 3.48705 -0.81277 1.29584 -1.19891 1.74940 52 3PX -1.10969 -0.17201 0.31671 0.34858 -0.13035 53 3PY -0.58645 0.11367 0.83056 -0.44182 0.88765 54 3PZ 1.27220 -0.32376 -0.03898 -0.71469 -0.02635 55 4XX -0.06897 -0.01085 0.03978 -0.02007 -0.06920 56 4YY 0.00221 0.08993 0.01854 -0.00092 0.01995 57 4ZZ 0.06910 -0.06454 -0.11428 0.02974 0.01550 58 4XY -0.03794 0.03683 -0.03157 -0.03600 -0.06896 59 4XZ 0.02876 0.00036 -0.00682 -0.09286 0.02727 60 4YZ 0.03340 0.02801 0.00010 0.00053 0.10422 61 5 C 1S 0.01953 -0.00396 -0.01023 0.00257 0.00775 62 2S 0.58780 -0.09464 -0.32809 0.19783 0.18229 63 2PX 0.17010 -0.06776 -0.00443 0.08701 0.14845 64 2PY -0.15597 -0.01473 0.08637 -0.05753 -0.02259 65 2PZ 0.09778 -0.03495 -0.04215 0.09177 -0.01707 66 3S -1.74055 0.77312 0.03280 0.21855 -0.55873 67 3PX -1.40299 0.33650 -0.40987 0.41614 -1.30466 68 3PY 0.69420 0.00093 -1.19588 0.22662 0.35190 69 3PZ 0.58200 0.10549 0.68538 -0.74880 0.93389 70 4XX 0.10317 0.08115 0.01667 -0.03370 -0.05240 71 4YY -0.03749 0.04889 -0.00346 -0.02361 -0.06732 72 4ZZ -0.06115 -0.13922 -0.05165 0.05326 0.11554 73 4XY -0.02056 0.14258 0.06066 -0.10766 -0.20319 74 4XZ -0.10909 -0.00234 -0.08905 -0.07325 0.00511 75 4YZ -0.06358 0.11573 -0.00344 -0.03337 -0.12252 76 6 C 1S 0.01287 0.00051 0.01132 -0.00627 0.00483 77 2S 0.48733 -0.01823 0.10422 0.03460 -0.05955 78 2PX 0.14684 -0.02720 -0.04665 0.02437 -0.08358 79 2PY -0.08762 -0.03072 -0.05748 -0.06601 0.10443 80 2PZ -0.10516 0.06200 -0.00067 -0.01894 0.07170 81 3S -1.26931 -0.08991 -0.75982 0.41154 -1.03705 82 3PX -0.66736 -0.00195 -0.37413 0.21507 0.24137 83 3PY 0.23369 -0.00120 0.04835 0.26705 -0.89745 84 3PZ 1.04767 -0.07603 0.39386 -0.24235 -0.10213 85 4XX -0.05674 -0.17927 -0.02116 0.03167 0.18271 86 4YY 0.01538 -0.03059 0.04061 0.01432 -0.01863 87 4ZZ 0.07686 0.21179 -0.02852 -0.04909 -0.15486 88 4XY 0.00720 -0.03235 -0.16357 0.01626 0.06413 89 4XZ -0.05115 0.07553 -0.10185 -0.01715 -0.02511 90 4YZ -0.06371 -0.00457 -0.14166 -0.02224 0.10779 91 7 H 1S 0.17141 0.00066 -0.07853 -0.03279 0.18469 92 2S 0.33712 0.07172 -0.16855 -0.00707 0.33993 93 8 H 1S -0.21354 0.05208 -0.24937 -0.00370 -0.07684 94 2S -0.11937 -0.00167 -0.23867 0.10306 -0.39351 95 9 H 1S 0.21314 0.05301 -0.24967 0.00180 -0.07667 96 2S 0.11881 -0.00057 -0.23812 -0.10443 -0.39363 97 10 H 1S -0.17134 0.00000 -0.07855 0.03168 0.18468 98 2S -0.33716 0.07056 -0.16821 0.00478 0.33986 99 11 O 1S 0.00575 0.01029 -0.02365 -0.00358 0.00415 100 2S 0.12400 0.24906 -0.26874 0.00177 0.03709 101 2PX 0.16524 0.04009 -0.02390 0.02238 0.02277 102 2PY 0.02673 0.09549 0.02602 0.03601 -0.00886 103 2PZ -0.03670 0.00894 -0.01714 0.03943 -0.02104 104 3S -0.23070 -0.62689 1.20446 0.17468 -0.19779 105 3PX -0.51217 -0.20050 0.11566 -0.01842 0.25548 106 3PY -0.13850 -0.24800 0.24462 0.01123 -0.04761 107 3PZ 0.12899 -0.11076 -0.03881 -0.17738 -0.05288 108 4XX 0.03184 0.09565 -0.04865 0.03458 -0.05675 109 4YY 0.01798 0.04519 -0.09994 -0.00972 0.06398 110 4ZZ 0.04929 0.04515 -0.08742 -0.03070 0.02981 111 4XY 0.07710 0.07969 0.03885 0.05848 -0.14600 112 4XZ 0.05811 0.03749 -0.10583 0.01051 -0.04385 113 4YZ -0.01280 0.08267 0.02415 0.04128 -0.07392 114 12 O 1S -0.00578 0.01029 -0.02370 0.00334 0.00418 115 2S -0.12461 0.24895 -0.26891 -0.00452 0.03732 116 2PX -0.16535 0.03980 -0.02355 -0.02266 0.02272 117 2PY 0.02675 -0.09540 -0.02632 0.03581 0.00894 118 2PZ 0.03665 0.00911 -0.01677 -0.03953 -0.02115 119 3S 0.23257 -0.62698 1.20666 -0.16285 -0.19897 120 3PX 0.51300 -0.19973 0.11575 0.01869 0.25501 121 3PY -0.13866 0.24771 -0.24484 0.00868 0.04809 122 3PZ -0.12887 -0.11095 -0.04054 0.17722 -0.05237 123 4XX -0.03223 0.09574 -0.04837 -0.03503 -0.05693 124 4YY -0.01800 0.04514 -0.10010 0.00863 0.06419 125 4ZZ -0.04936 0.04504 -0.08776 0.02986 0.03000 126 4XY 0.07731 -0.07941 -0.03920 0.05772 0.14581 127 4XZ -0.05821 0.03747 -0.10573 -0.01134 -0.04381 128 4YZ -0.01264 -0.08264 -0.02454 0.04086 0.07384 129 13 C 1S -0.00001 0.00825 -0.04011 -0.00013 0.02108 130 2S 0.00005 -0.00579 -0.53339 -0.00164 0.21999 131 2PX -0.00030 0.21357 -0.08680 -0.00044 -0.02140 132 2PY 0.00161 0.00011 -0.00029 0.08174 0.00005 133 2PZ -0.00011 0.06684 -0.09945 -0.00044 -0.00667 134 3S 0.00045 -0.63333 1.44637 0.00389 -0.59009 135 3PX 0.00120 -0.75184 0.32486 0.00186 -0.07616 136 3PY -0.31745 -0.00143 -0.00022 0.19227 -0.00025 137 3PZ 0.00081 -0.78572 0.31236 0.00110 -0.09797 138 4XX -0.00008 0.05080 -0.05113 -0.00015 -0.01165 139 4YY 0.00000 0.02522 0.00706 -0.00013 0.09632 140 4ZZ 0.00008 -0.08644 -0.01717 0.00009 -0.05777 141 4XY 0.00843 0.00004 -0.00036 0.03756 0.00020 142 4XZ 0.00000 0.05467 0.00416 -0.00021 0.07388 143 4YZ -0.04567 -0.00001 -0.00098 0.21120 0.00047 144 14 H 1S -0.00028 0.23259 -0.22569 -0.00086 0.12641 145 2S -0.00054 0.39363 -0.39291 -0.00163 0.07009 146 15 H 1S 0.00013 -0.10656 -0.07528 -0.00016 0.02442 147 2S 0.00028 -0.19448 -0.08224 -0.00034 0.17211 148 16 C 1S 0.00713 -0.03140 0.03841 -0.00189 -0.00212 149 2S 0.39686 -0.25634 0.43371 -0.21047 -0.11573 150 2PX -0.19103 0.01804 -0.05143 0.06574 0.08653 151 2PY -0.01116 -0.11383 -0.06065 -0.03613 0.04911 152 2PZ -0.13078 0.00569 -0.04425 0.14792 0.01341 153 3S -0.53216 0.86215 -1.35982 2.51359 0.28548 154 3PX 0.07233 0.13893 0.11602 -0.05281 0.04040 155 3PY -0.11428 0.20297 0.67019 1.47381 -0.06251 156 3PZ 0.39613 0.28141 0.35609 0.94562 0.16119 157 4XX -0.10214 0.06486 0.05710 0.00856 0.12491 158 4YY 0.05964 -0.00017 -0.00436 -0.02602 -0.03544 159 4ZZ 0.04285 -0.10694 -0.01151 0.05943 -0.08136 160 4XY 0.07550 -0.11480 -0.00909 -0.29377 -0.07823 161 4XZ 0.00790 -0.14752 -0.06093 -0.08139 -0.15255 162 4YZ 0.04084 -0.02345 0.02280 -0.03917 -0.04772 163 17 H 1S -0.05152 -0.16038 0.35919 0.14317 0.00976 164 2S 0.08501 0.06928 0.46127 0.34735 -0.08821 165 18 C 1S 0.01810 -0.00040 0.00803 0.05863 -0.00391 166 2S 0.50589 -0.08371 0.16477 1.01878 -0.06594 167 2PX -0.16062 -0.04156 -0.02496 0.02358 -0.00619 168 2PY -0.03231 -0.09505 0.12204 -0.02958 -0.02169 169 2PZ -0.01043 0.15470 -0.11304 -0.05749 0.04839 170 3S -1.40954 -0.53227 0.17031 -5.74861 -0.15570 171 3PX 0.36923 0.01263 -0.17699 -0.67385 -0.00697 172 3PY -0.07913 0.38571 -0.61658 -2.05201 0.16774 173 3PZ -0.09613 -0.11007 0.39045 2.44292 -0.11290 174 4XX -0.03341 -0.02555 -0.00816 -0.11300 -0.07263 175 4YY 0.00648 -0.04727 0.04022 -0.00757 -0.00556 176 4ZZ 0.04571 0.09358 -0.02794 0.14028 0.06598 177 4XY -0.00226 0.21881 0.26814 -0.06125 0.18362 178 4XZ -0.08418 0.15467 -0.00385 0.11850 0.20222 179 4YZ -0.02053 -0.02897 0.16217 0.01237 0.03032 180 19 H 1S 0.09756 0.02273 -0.14467 -0.23289 0.04463 181 2S 0.26844 0.22511 -0.31303 -0.58116 0.11270 182 20 C 1S -0.00705 -0.03146 0.03841 0.00218 -0.00215 183 2S -0.39639 -0.25765 0.43221 0.21405 -0.11545 184 2PX 0.19109 0.01833 -0.05088 -0.06632 0.08628 185 2PY -0.01135 0.11359 0.06083 -0.03562 -0.04913 186 2PZ 0.13075 0.00622 -0.04325 -0.14834 0.01314 187 3S 0.53085 0.86660 -1.34134 -2.52327 0.28207 188 3PX -0.07261 0.13949 0.11548 0.05332 0.04068 189 3PY -0.11454 -0.20231 -0.68033 1.46764 0.06504 190 3PZ -0.39621 0.27955 0.36371 -0.94317 0.15899 191 4XX 0.10205 0.06506 0.05694 -0.00799 0.12500 192 4YY -0.05966 -0.00041 -0.00454 0.02592 -0.03542 193 4ZZ -0.04260 -0.10697 -0.01085 -0.05957 -0.08161 194 4XY 0.07538 0.11504 0.01154 -0.29375 0.07751 195 4XZ -0.00762 -0.14780 -0.06145 0.08104 -0.15257 196 4YZ 0.04079 0.02343 -0.02233 -0.03940 0.04729 197 21 H 1S 0.05208 -0.16084 0.36011 -0.14040 0.00930 198 2S -0.08486 0.06819 0.46366 -0.34336 -0.08895 199 22 C 1S -0.01808 -0.00040 0.00848 -0.05856 -0.00400 200 2S -0.50525 -0.08399 0.17305 -1.01722 -0.06755 201 2PX 0.16064 -0.04124 -0.02488 -0.02367 -0.00626 202 2PY -0.03249 0.09486 -0.12182 -0.03067 0.02167 203 2PZ 0.00999 0.15465 -0.11351 0.05652 0.04849 204 3S 1.40959 -0.53177 0.12604 5.75017 -0.14629 205 3PX -0.36924 0.01176 -0.18172 0.67347 -0.00557 206 3PY -0.07839 -0.38499 0.63077 -2.04551 -0.17087 207 3PZ 0.09695 -0.10868 0.40847 -2.43969 -0.11710 208 4XX 0.03343 -0.02539 -0.00876 0.11304 -0.07224 209 4YY -0.00631 -0.04752 0.03995 0.00783 -0.00574 210 4ZZ -0.04592 0.09365 -0.02690 -0.14048 0.06575 211 4XY -0.00194 -0.21880 -0.26765 -0.06288 -0.18390 212 4XZ 0.08392 0.15490 -0.00301 -0.11869 0.20203 213 4YZ -0.02061 0.02894 -0.16222 0.01118 -0.03018 214 23 H 1S -0.09764 0.02244 -0.14606 0.23152 0.04500 215 2S -0.26898 0.22426 -0.31673 0.57831 0.11367 136 137 138 139 140 V V V V V Eigenvalues -- 1.42116 1.43718 1.45360 1.48634 1.52252 1 1 C 1S 0.01268 -0.00046 -0.00772 0.00266 -0.00741 2 2S 0.28288 -0.03107 -0.19868 -0.02130 -0.03263 3 2PX 0.06409 0.05660 0.02847 0.07076 0.05982 4 2PY 0.02954 -0.04317 -0.02223 -0.00932 0.00079 5 2PZ -0.01553 0.04477 0.08252 0.10350 -0.03051 6 3S -1.79489 -0.10454 1.08360 -0.13221 0.83306 7 3PX -0.57987 -0.06817 0.49596 0.02687 0.05490 8 3PY -1.58976 0.07602 0.08962 0.15087 -0.42701 9 3PZ 0.52324 0.05691 -0.58406 -0.06888 -0.07856 10 4XX -0.06758 -0.15992 -0.25592 -0.25240 0.00757 11 4YY -0.00879 0.04607 -0.00914 -0.01903 0.01354 12 4ZZ 0.07795 0.09418 0.26012 0.28112 -0.03950 13 4XY -0.02712 -0.16957 0.05662 -0.27750 -0.12339 14 4XZ 0.01808 -0.06801 0.04229 -0.00935 -0.03423 15 4YZ -0.00144 -0.14748 0.01504 -0.25115 -0.02987 16 2 C 1S -0.01369 -0.00261 0.00881 0.00675 -0.00486 17 2S -0.16557 0.05611 0.10389 0.09358 0.19390 18 2PX -0.08366 0.03020 -0.04741 0.01521 0.02128 19 2PY 0.00081 0.01723 0.02332 0.01054 0.01409 20 2PZ 0.12616 -0.02192 -0.02653 -0.03015 0.04494 21 3S 1.92151 -0.93906 -0.67046 -0.54651 -0.99113 22 3PX 0.94964 -0.24611 0.38300 -0.34629 0.53447 23 3PY 0.54218 0.54240 -0.45586 -0.25895 0.18755 24 3PZ -1.02652 0.23414 -0.22204 0.30213 -0.62447 25 4XX -0.10587 -0.14113 0.23203 0.11033 0.04169 26 4YY 0.08913 0.01282 0.07032 -0.01637 -0.01698 27 4ZZ 0.02254 0.09907 -0.30090 -0.08708 -0.03856 28 4XY -0.14614 -0.11318 -0.22517 -0.00444 0.02465 29 4XZ -0.04318 -0.14380 -0.05620 -0.00138 -0.02931 30 4YZ -0.16750 -0.15174 -0.15783 0.07915 0.09164 31 3 C 1S 0.03154 -0.02108 -0.00510 -0.00940 0.01823 32 2S 0.35607 -0.33623 0.03246 -0.16435 0.25234 33 2PX -0.00545 -0.07044 0.06502 -0.05237 0.14006 34 2PY -0.03732 -0.03022 -0.00848 -0.02393 -0.11675 35 2PZ 0.03004 0.03311 0.04785 -0.07993 -0.00551 36 3S -2.14974 0.88093 0.35262 0.66646 -1.00381 37 3PX 0.78247 0.27324 -0.22054 -0.17746 -0.16880 38 3PY 0.62087 -0.20614 0.33109 -0.16593 0.51237 39 3PZ -0.46797 -0.04907 -0.22230 0.30063 0.07631 40 4XX 0.12257 0.12159 -0.05923 -0.17354 0.08434 41 4YY -0.00864 -0.01588 0.01388 -0.00547 0.02819 42 4ZZ -0.10395 -0.15238 0.04918 0.18999 -0.07981 43 4XY -0.02994 -0.00405 -0.01140 0.07730 -0.38204 44 4XZ -0.05156 -0.10117 0.00306 0.10485 -0.17781 45 4YZ 0.03558 -0.00057 -0.04237 -0.02807 -0.10999 46 4 C 1S -0.03151 -0.02110 0.00508 -0.00939 0.01823 47 2S -0.35549 -0.33659 -0.03274 -0.16410 0.25246 48 2PX 0.00565 -0.07043 -0.06514 -0.05230 0.14001 49 2PY -0.03739 0.03015 -0.00851 0.02391 0.11677 50 2PZ -0.02980 0.03300 -0.04783 -0.07988 -0.00560 51 3S 2.15026 0.88197 -0.35159 0.66599 -1.00601 52 3PX -0.78405 0.27246 0.22057 -0.17781 -0.16755 53 3PY 0.62063 0.20669 0.33150 0.16598 -0.51188 54 3PZ 0.46812 -0.04879 0.22238 0.30067 0.07590 55 4XX -0.12272 0.12138 0.05933 -0.17335 0.08386 56 4YY 0.00864 -0.01587 -0.01391 -0.00554 0.02851 57 4ZZ 0.10415 -0.15219 -0.04926 0.18990 -0.07971 58 4XY -0.03010 0.00421 -0.01138 -0.07747 0.38208 59 4XZ 0.05161 -0.10104 -0.00307 0.10477 -0.17783 60 4YZ 0.03575 0.00057 -0.04240 0.02805 0.10991 61 5 C 1S 0.01372 -0.00261 -0.00880 0.00675 -0.00490 62 2S 0.16612 0.05586 -0.10374 0.09371 0.19335 63 2PX 0.08386 0.03007 0.04745 0.01527 0.02118 64 2PY 0.00079 -0.01714 0.02332 -0.01055 -0.01405 65 2PZ -0.12614 -0.02209 0.02652 -0.03017 0.04499 66 3S -1.92189 -0.93949 0.66938 -0.54706 -0.98796 67 3PX -0.95136 -0.24578 -0.38311 -0.34659 0.53482 68 3PY 0.54350 -0.54273 -0.45629 0.25889 -0.18958 69 3PZ 1.02710 0.23495 0.22229 0.30214 -0.62420 70 4XX 0.10605 -0.14092 -0.23187 0.11017 0.04184 71 4YY -0.08940 0.01298 -0.07061 -0.01635 -0.01704 72 4ZZ -0.02242 0.09873 0.30103 -0.08693 -0.03862 73 4XY -0.14635 0.11315 -0.22526 0.00458 -0.02459 74 4XZ 0.04348 -0.14381 0.05619 -0.00134 -0.02921 75 4YZ -0.16771 0.15162 -0.15771 -0.07908 -0.09169 76 6 C 1S -0.01269 -0.00046 0.00772 0.00265 -0.00737 77 2S -0.28301 -0.03130 0.19859 -0.02141 -0.03181 78 2PX -0.06420 0.05651 -0.02845 0.07075 0.05994 79 2PY 0.02966 0.04329 -0.02216 0.00935 -0.00076 80 2PZ 0.01558 0.04483 -0.08247 0.10351 -0.03062 81 3S 1.79424 -0.10428 -1.08376 -0.13143 0.82760 82 3PX 0.58162 -0.06791 -0.49590 0.02718 0.05249 83 3PY -1.59051 -0.07647 0.08894 -0.15123 0.42923 84 3PZ -0.52379 0.05676 0.58396 -0.06915 -0.07623 85 4XX 0.06797 -0.16026 0.25579 -0.25268 0.00738 86 4YY 0.00868 0.04623 0.00923 -0.01871 0.01368 87 4ZZ -0.07819 0.09436 -0.26009 0.28108 -0.03946 88 4XY -0.02697 0.16934 0.05694 0.27734 0.12340 89 4XZ -0.01798 -0.06805 -0.04235 -0.00952 -0.03424 90 4YZ -0.00129 0.14744 0.01512 0.25114 0.02981 91 7 H 1S -0.18914 0.01279 0.04792 0.01320 -0.04226 92 2S -0.34511 -0.05616 0.14985 0.05648 -0.13184 93 8 H 1S 0.14535 -0.08479 -0.03190 -0.03443 0.09242 94 2S 0.08569 -0.21988 -0.03495 0.07636 0.28612 95 9 H 1S -0.14511 -0.08490 0.03182 -0.03440 0.09242 96 2S -0.08573 -0.21982 0.03475 0.07642 0.28607 97 10 H 1S 0.18944 0.01282 -0.04783 0.01325 -0.04262 98 2S 0.34572 -0.05603 -0.14975 0.05657 -0.13271 99 11 O 1S 0.00871 -0.02738 0.00312 0.00201 -0.01764 100 2S 0.13689 -0.48572 0.05114 -0.01313 -0.42472 101 2PX -0.06335 -0.03697 -0.02747 0.00508 -0.02252 102 2PY 0.03374 -0.09037 0.01891 -0.02061 -0.15046 103 2PZ -0.03064 -0.03920 -0.04101 0.02018 0.02746 104 3S -0.40365 1.49637 -0.18672 -0.02672 1.14114 105 3PX -0.12004 0.09844 -0.11939 0.05422 0.00769 106 3PY -0.19232 0.51156 -0.01413 0.03213 0.45742 107 3PZ 0.10558 -0.00345 -0.00559 -0.05061 0.12656 108 4XX 0.03272 -0.11904 0.14168 0.04418 -0.06409 109 4YY -0.00968 -0.19457 -0.03144 0.01071 -0.11759 110 4ZZ 0.08244 -0.05534 -0.06821 -0.04887 -0.11153 111 4XY 0.10071 0.07869 0.13020 -0.03396 -0.02744 112 4XZ 0.04823 -0.05562 0.00939 -0.03712 -0.02571 113 4YZ 0.08403 0.09109 0.13651 -0.03622 -0.10922 114 12 O 1S -0.00867 -0.02738 -0.00314 0.00201 -0.01766 115 2S -0.13625 -0.48570 -0.05156 -0.01318 -0.42497 116 2PX 0.06339 -0.03695 0.02742 0.00506 -0.02265 117 2PY 0.03377 0.09031 0.01903 0.02063 0.15042 118 2PZ 0.03067 -0.03914 0.04097 0.02014 0.02750 119 3S 0.40123 1.49654 0.18785 -0.02661 1.14230 120 3PX 0.12036 0.09866 0.11953 0.05424 0.00810 121 3PY -0.19159 -0.51152 -0.01448 -0.03217 -0.45757 122 3PZ -0.10567 -0.00367 0.00561 -0.05058 0.12652 123 4XX -0.03279 -0.11880 -0.14195 0.04409 -0.06414 124 4YY 0.01012 -0.19467 0.03146 0.01072 -0.11766 125 4ZZ -0.08228 -0.05548 0.06817 -0.04883 -0.11161 126 4XY 0.10094 -0.07866 0.13002 0.03393 0.02753 127 4XZ -0.04822 -0.05553 -0.00955 -0.03713 -0.02579 128 4YZ 0.08414 -0.09117 0.13647 0.03617 0.10922 129 13 C 1S 0.00001 0.03752 0.00001 -0.01516 -0.04339 130 2S 0.00007 0.57533 0.00017 -0.25317 -0.66170 131 2PX 0.00017 -0.27213 -0.00009 0.07999 0.14722 132 2PY 0.04411 -0.00007 -0.03502 0.00005 0.00007 133 2PZ 0.00010 -0.03531 -0.00002 0.05130 -0.09543 134 3S -0.00032 -0.98802 -0.00026 0.67308 1.45568 135 3PX -0.00104 0.66538 0.00033 -0.20117 -0.23784 136 3PY 0.49982 0.00026 -0.07429 0.00015 -0.00010 137 3PZ -0.00051 0.25642 0.00016 -0.00260 0.47676 138 4XX 0.00022 -0.05956 -0.00010 0.02003 0.03629 139 4YY -0.00009 0.08409 0.00010 0.01272 -0.12382 140 4ZZ -0.00012 0.03395 0.00002 -0.04174 0.03420 141 4XY -0.29231 -0.00023 0.11761 -0.00007 -0.00002 142 4XZ 0.00013 0.00777 0.00000 0.03428 -0.10106 143 4YZ -0.27248 -0.00021 0.07869 -0.00001 -0.00010 144 14 H 1S 0.00023 0.10333 0.00000 -0.10401 -0.21412 145 2S 0.00045 -0.23877 -0.00012 0.05415 -0.04810 146 15 H 1S -0.00010 0.18116 0.00007 -0.03171 -0.06855 147 2S -0.00004 0.23974 0.00010 -0.09713 -0.04976 148 16 C 1S -0.01267 0.01396 -0.00054 0.01224 -0.00830 149 2S -0.07941 0.15157 0.12537 0.09476 -0.09536 150 2PX -0.02330 0.02739 -0.05619 -0.02250 0.02890 151 2PY -0.03891 0.13179 -0.02257 0.00989 -0.16189 152 2PZ 0.05731 -0.01769 -0.04124 0.00467 0.03104 153 3S 0.74227 -0.17654 -1.05679 -0.50181 -0.21146 154 3PX 0.11015 0.08831 0.08079 0.02203 -0.24763 155 3PY 0.63306 -0.19888 -0.34232 0.03867 0.06634 156 3PZ -0.22315 -0.14476 -0.36094 0.03081 -0.04052 157 4XX 0.20910 0.11825 -0.08691 -0.04519 -0.06994 158 4YY -0.03362 -0.03363 0.01851 -0.03784 0.11859 159 4ZZ -0.18454 -0.04613 0.04744 0.07942 -0.05397 160 4XY 0.07351 0.00199 0.01921 0.01893 -0.07290 161 4XZ -0.16878 -0.05162 0.07574 0.03262 -0.00456 162 4YZ 0.14642 -0.03099 -0.04630 -0.01836 0.01414 163 17 H 1S 0.02852 0.04076 -0.01066 0.14037 -0.12114 164 2S 0.14549 -0.10549 -0.01929 0.03718 0.13872 165 18 C 1S 0.00646 -0.00114 -0.01793 0.00066 0.00326 166 2S 0.00572 -0.09196 -0.35107 -0.00902 -0.01052 167 2PX 0.09280 0.11185 -0.04353 -0.04651 0.05031 168 2PY -0.03410 0.02501 0.01875 0.04208 -0.00034 169 2PZ -0.00001 -0.01511 0.04870 -0.06925 0.02179 170 3S -0.77065 0.26635 1.96112 0.19368 0.15930 171 3PX -0.26299 -0.02581 0.31602 0.00245 -0.15606 172 3PY -0.78765 0.03612 0.68325 -0.15820 -0.27703 173 3PZ 0.53891 -0.20656 -1.02961 0.05857 0.23279 174 4XX -0.04634 0.01084 0.06561 0.05416 -0.05989 175 4YY -0.01490 -0.02156 0.00046 0.01902 0.05538 176 4ZZ 0.06534 0.02877 -0.06940 -0.09535 0.03463 177 4XY 0.05380 -0.11938 -0.00169 0.13359 0.09835 178 4XZ 0.15289 0.16974 -0.08533 -0.13719 -0.01118 179 4YZ -0.00063 -0.01668 -0.00538 0.13513 -0.05480 180 19 H 1S -0.14693 0.10341 0.12433 0.02150 -0.21007 181 2S -0.30046 0.02936 0.25846 -0.11543 -0.16598 182 20 C 1S 0.01261 0.01396 0.00056 0.01225 -0.00828 183 2S 0.07866 0.15158 -0.12524 0.09484 -0.09509 184 2PX 0.02344 0.02748 0.05624 -0.02245 0.02879 185 2PY -0.03890 -0.13183 -0.02263 -0.00992 0.16188 186 2PZ -0.05727 -0.01770 0.04124 0.00454 0.03103 187 3S -0.74048 -0.17566 1.05655 -0.50354 -0.21218 188 3PX -0.11060 0.08817 -0.08053 0.02186 -0.24739 189 3PY 0.63391 0.19905 -0.34243 -0.03765 -0.06604 190 3PZ 0.22352 -0.14412 0.36082 0.03044 -0.04050 191 4XX -0.20916 0.11805 0.08698 -0.04522 -0.07003 192 4YY 0.03363 -0.03367 -0.01853 -0.03784 0.11867 193 4ZZ 0.18451 -0.04589 -0.04746 0.07944 -0.05397 194 4XY 0.07339 -0.00158 0.01929 -0.01898 0.07289 195 4XZ 0.16858 -0.05165 -0.07573 0.03269 -0.00474 196 4YZ 0.14657 0.03112 -0.04632 0.01846 -0.01400 197 21 H 1S -0.02899 0.04066 0.01077 0.14031 -0.12122 198 2S -0.14608 -0.10556 0.01927 0.03698 0.13869 199 22 C 1S -0.00647 -0.00110 0.01793 0.00063 0.00326 200 2S -0.00601 -0.09117 0.35104 -0.00953 -0.01051 201 2PX -0.09286 0.11174 0.04358 -0.04651 0.05036 202 2PY -0.03392 -0.02496 0.01874 -0.04211 0.00034 203 2PZ 0.00026 -0.01513 -0.04873 -0.06922 0.02179 204 3S 0.76991 0.26352 -1.96100 0.19699 0.15988 205 3PX 0.26369 -0.02566 -0.31644 0.00296 -0.15616 206 3PY -0.78859 -0.03582 0.68294 0.15659 0.27647 207 3PZ -0.53966 -0.20588 1.02967 0.05686 0.23257 208 4XX 0.04620 0.01062 -0.06558 0.05439 -0.05990 209 4YY 0.01489 -0.02143 -0.00046 0.01893 0.05527 210 4ZZ -0.06521 0.02886 0.06937 -0.09547 0.03475 211 4XY 0.05377 0.11946 -0.00172 -0.13357 -0.09844 212 4XZ -0.15272 0.16972 0.08544 -0.13720 -0.01108 213 4YZ -0.00057 0.01677 -0.00538 -0.13517 0.05478 214 23 H 1S 0.14712 0.10353 -0.12426 0.02177 -0.20999 215 2S 0.30109 0.02947 -0.25847 -0.11484 -0.16585 141 142 143 144 145 V V V V V Eigenvalues -- 1.53989 1.54517 1.62912 1.64040 1.65242 1 1 C 1S 0.01633 0.00777 -0.05402 0.00255 -0.04454 2 2S 0.34881 0.04329 -1.00657 0.00993 -0.71681 3 2PX 0.06382 -0.01972 -0.15571 0.01109 -0.04562 4 2PY 0.00277 0.03381 -0.03937 0.01125 -0.05157 5 2PZ -0.06407 0.04848 0.10501 -0.00761 0.01745 6 3S -2.02150 -0.65103 6.24080 -0.14012 5.23437 7 3PX -0.98369 -0.21576 2.45345 0.15313 1.96067 8 3PY -0.68321 0.10327 2.60504 0.24364 1.15713 9 3PZ 1.05214 0.21702 -2.56079 -0.13326 -2.10220 10 4XX 0.04905 -0.07015 0.01701 0.10300 0.04341 11 4YY 0.01221 0.02282 0.03138 -0.07985 0.01335 12 4ZZ -0.05812 0.03669 -0.01339 0.01166 -0.01438 13 4XY -0.04746 -0.02575 0.02750 -0.02458 0.01104 14 4XZ -0.03284 -0.07999 0.05723 0.08678 0.02116 15 4YZ -0.01198 -0.03238 -0.02222 -0.00062 -0.02784 16 2 C 1S -0.00939 -0.00188 0.02790 0.00863 0.03297 17 2S -0.15041 -0.23318 0.51712 0.26735 0.65081 18 2PX -0.02748 -0.00556 0.13926 0.04827 -0.00050 19 2PY -0.02608 -0.07298 0.00845 0.08811 0.00479 20 2PZ 0.03290 -0.05452 -0.08663 -0.04805 0.03235 21 3S 0.82963 0.28491 -3.96819 -0.41364 -4.57793 22 3PX -0.30482 -0.34275 -0.06050 -0.49778 0.21519 23 3PY 0.78591 0.58407 -1.64724 -0.77584 -2.34792 24 3PZ 0.15122 0.63316 -0.21957 0.29848 -0.94084 25 4XX -0.25539 0.08343 -0.03294 -0.01875 -0.16369 26 4YY 0.05922 -0.02644 -0.04334 0.02777 0.04001 27 4ZZ 0.21598 -0.07515 0.01261 0.01848 0.07651 28 4XY -0.08459 0.03321 0.04228 -0.09044 -0.05296 29 4XZ -0.02402 -0.05804 -0.09264 0.16016 0.03543 30 4YZ -0.12898 0.07186 -0.06426 0.01347 -0.07791 31 3 C 1S 0.01923 -0.00602 -0.01467 -0.01380 0.01018 32 2S 0.29956 -0.00143 -0.18325 -0.04812 -0.13489 33 2PX 0.12863 0.05898 -0.04183 -0.01896 -0.02192 34 2PY 0.03163 0.07479 -0.04681 -0.02624 -0.15779 35 2PZ -0.06405 0.00335 0.13884 0.06314 -0.08600 36 3S -1.65673 0.49004 2.43948 0.77314 2.35253 37 3PX -0.22029 -0.13895 -0.42424 -0.12004 -1.50200 38 3PY -0.62887 -0.57752 0.46178 -0.17563 1.63586 39 3PZ 0.72292 -0.08891 -0.08388 0.27974 2.05106 40 4XX 0.12497 -0.13641 0.04900 0.14688 0.09596 41 4YY 0.00303 0.09893 0.01432 -0.01669 -0.02801 42 4ZZ -0.11938 -0.01470 -0.04110 -0.09939 0.03594 43 4XY 0.00961 0.08964 0.05722 -0.24651 -0.00403 44 4XZ -0.02766 -0.03188 -0.06164 0.13400 0.02978 45 4YZ 0.12013 -0.02044 -0.00884 -0.08144 0.09920 46 4 C 1S -0.01923 -0.00605 0.01469 -0.01379 -0.01017 47 2S -0.29984 -0.00184 0.18319 -0.04756 0.13470 48 2PX -0.12876 0.05886 0.04181 -0.01888 0.02206 49 2PY 0.03174 -0.07480 -0.04679 0.02594 -0.15784 50 2PZ 0.06396 0.00351 -0.13897 0.06315 0.08587 51 3S 1.65624 0.49212 -2.44015 0.76644 -2.35316 52 3PX 0.22063 -0.13881 0.42428 -0.11745 1.50098 53 3PY -0.62971 0.57741 0.46187 0.17853 1.63654 54 3PZ -0.72270 -0.09070 0.08384 0.27646 -2.05081 55 4XX -0.12483 -0.13650 -0.04932 0.14639 -0.09624 56 4YY -0.00322 0.09885 -0.01422 -0.01647 0.02791 57 4ZZ 0.11952 -0.01457 0.04127 -0.09929 -0.03562 58 4XY 0.00956 -0.08981 0.05672 0.24669 -0.00476 59 4XZ 0.02760 -0.03190 0.06153 0.13400 -0.02997 60 4YZ 0.12014 0.02066 -0.00892 0.08170 0.09910 61 5 C 1S 0.00940 -0.00187 -0.02791 0.00855 -0.03296 62 2S 0.15084 -0.23302 -0.51746 0.26588 -0.65095 63 2PX 0.02751 -0.00549 -0.13933 0.04820 0.00031 64 2PY -0.02613 0.07292 0.00847 -0.08806 0.00484 65 2PZ -0.03278 -0.05458 0.08668 -0.04800 -0.03217 66 3S -0.83105 0.28481 3.96864 -0.40230 4.57826 67 3PX 0.30486 -0.34246 0.06212 -0.49841 -0.21264 68 3PY 0.78692 -0.58349 -1.64808 0.77021 -2.34786 69 3PZ -0.15220 0.63351 0.21926 0.29999 0.94011 70 4XX 0.25544 0.08387 0.03292 -0.01852 0.16385 71 4YY -0.05931 -0.02658 0.04334 0.02788 -0.04015 72 4ZZ -0.21593 -0.07549 -0.01262 0.01827 -0.07656 73 4XY -0.08430 -0.03328 0.04215 0.09031 -0.05307 74 4XZ 0.02415 -0.05800 0.09245 0.16026 -0.03549 75 4YZ -0.12893 -0.07214 -0.06420 -0.01358 -0.07787 76 6 C 1S -0.01635 0.00776 0.05402 0.00268 0.04454 77 2S -0.34891 0.04297 1.00654 0.01215 0.71686 78 2PX -0.06376 -0.01979 0.15571 0.01135 0.04568 79 2PY 0.00279 -0.03385 -0.03924 -0.01136 -0.05140 80 2PZ 0.06401 0.04859 -0.10499 -0.00777 -0.01751 81 3S 2.02280 -0.64922 -6.24068 -0.15493 -5.23386 82 3PX 0.98448 -0.21466 -2.45541 0.14770 -1.96147 83 3PY -0.68219 -0.10468 2.60350 -0.23872 1.15579 84 3PZ -1.05254 0.21597 2.56108 -0.12732 2.10222 85 4XX -0.04901 -0.07026 -0.01718 0.10288 -0.04349 86 4YY -0.01229 0.02283 -0.03124 -0.07987 -0.01321 87 4ZZ 0.05816 0.03677 0.01336 0.01170 0.01430 88 4XY -0.04743 0.02561 0.02747 0.02475 0.01088 89 4XZ 0.03290 -0.07998 -0.05737 0.08669 -0.02109 90 4YZ -0.01194 0.03229 -0.02228 0.00061 -0.02780 91 7 H 1S -0.17137 -0.02853 0.43143 0.09568 0.18457 92 2S -0.39454 -0.05048 1.03230 0.11998 0.61244 93 8 H 1S 0.23794 -0.08102 -0.11507 -0.00456 0.42611 94 2S 0.33090 -0.11510 -0.22665 0.10957 0.86947 95 9 H 1S -0.23780 -0.08156 0.11509 -0.00509 -0.42599 96 2S -0.33064 -0.11599 0.22655 0.10842 -0.86947 97 10 H 1S 0.17136 -0.02827 -0.43154 0.09492 -0.18468 98 2S 0.39456 -0.04994 -1.03245 0.11791 -0.61244 99 11 O 1S -0.00583 -0.00803 -0.01019 0.01638 0.00367 100 2S -0.07395 0.01128 -0.28192 0.20796 -0.15524 101 2PX -0.04477 0.05244 0.02788 -0.03921 -0.06150 102 2PY -0.00340 0.04245 -0.09693 0.01488 -0.13545 103 2PZ -0.03434 0.02932 -0.07470 0.01711 -0.04175 104 3S 0.35687 0.26940 0.53798 -0.79537 -0.08032 105 3PX 0.07656 0.00788 -0.03104 0.06667 0.00258 106 3PY 0.04322 -0.00027 0.39630 -0.19159 0.26818 107 3PZ 0.01439 -0.10758 0.13426 -0.08340 0.16287 108 4XX -0.09956 0.01905 -0.04160 0.05450 -0.07179 109 4YY -0.06481 0.01745 -0.07845 0.06666 -0.05064 110 4ZZ 0.09917 -0.06422 -0.05075 0.04661 0.05642 111 4XY 0.09056 -0.03817 0.01861 0.04703 0.09236 112 4XZ 0.01741 -0.09112 -0.07642 0.13503 0.06614 113 4YZ 0.07010 0.00454 0.03193 -0.04756 0.00813 114 12 O 1S 0.00583 -0.00801 0.01017 0.01639 -0.00366 115 2S 0.07365 0.01152 0.28170 0.20854 0.15531 116 2PX 0.04468 0.05254 -0.02775 -0.03911 0.06175 117 2PY -0.00322 -0.04247 -0.09695 -0.01519 -0.13541 118 2PZ 0.03431 0.02936 0.07468 0.01727 0.04169 119 3S -0.35648 0.26853 -0.53708 -0.79598 0.08006 120 3PX -0.07656 0.00785 0.03069 0.06650 -0.00308 121 3PY 0.04286 0.00052 0.39611 0.19251 0.26825 122 3PZ -0.01420 -0.10766 -0.13418 -0.08380 -0.16271 123 4XX 0.09940 0.01917 0.04152 0.05476 0.07168 124 4YY 0.06483 0.01765 0.07841 0.06679 0.05081 125 4ZZ -0.09918 -0.06435 0.05068 0.04652 -0.05645 126 4XY 0.09057 0.03835 0.01866 -0.04683 0.09257 127 4XZ -0.01741 -0.09120 0.07620 0.13502 -0.06622 128 4YZ 0.07013 -0.00448 0.03192 0.04774 0.00798 129 13 C 1S 0.00005 -0.08844 0.00002 -0.04239 0.00006 130 2S 0.00078 -1.21813 0.00024 -0.55155 0.00079 131 2PX -0.00001 0.05345 0.00005 -0.06658 0.00003 132 2PY -0.02906 0.00000 -0.06369 -0.00002 0.00212 133 2PZ -0.00002 -0.06365 -0.00009 0.09659 -0.00002 134 3S -0.00261 3.85033 -0.00092 2.27219 -0.00300 135 3PX 0.00081 -0.67333 0.00020 -0.12632 0.00014 136 3PY -0.35480 -0.00044 -0.13288 0.00021 0.34461 137 3PZ 0.00008 0.44836 0.00031 0.03037 -0.00040 138 4XX -0.00004 -0.17872 0.00005 -0.12566 0.00023 139 4YY -0.00005 0.15701 -0.00016 0.27713 -0.00028 140 4ZZ 0.00013 -0.05407 0.00011 -0.16139 0.00008 141 4XY 0.32232 0.00010 0.02111 -0.00023 -0.20424 142 4XZ -0.00029 0.19524 -0.00020 0.28682 -0.00021 143 4YZ 0.25880 0.00031 -0.02558 0.00028 0.06550 144 14 H 1S 0.00004 -0.23430 0.00004 -0.17878 0.00026 145 2S 0.00006 -0.21172 0.00003 -0.19462 0.00023 146 15 H 1S 0.00030 -0.35120 0.00007 -0.08841 0.00016 147 2S 0.00029 -0.20479 0.00024 -0.27513 0.00018 148 16 C 1S 0.00600 0.01493 0.00148 0.03917 -0.01860 149 2S 0.05847 0.22990 -0.11557 0.42223 -0.42260 150 2PX 0.06978 -0.05438 0.14567 -0.06154 0.07857 151 2PY 0.04750 -0.11734 0.03581 0.01725 0.04561 152 2PZ -0.09481 -0.00274 -0.05340 -0.03148 0.13065 153 3S -1.27428 -1.47624 -0.94258 -1.68021 1.91420 154 3PX -0.04065 -0.32815 -0.20707 -0.15393 -0.26251 155 3PY -0.93583 -0.25336 -0.98899 -0.04132 0.61479 156 3PZ -0.17187 0.57042 -0.33759 0.41105 -0.05579 157 4XX -0.07584 -0.00967 0.14824 0.16711 0.04780 158 4YY 0.01499 -0.01853 -0.01619 -0.20641 -0.08102 159 4ZZ 0.06309 -0.01035 -0.12264 0.07374 0.08694 160 4XY -0.14029 0.00630 -0.10674 -0.03753 0.04811 161 4XZ -0.00945 -0.09908 -0.14949 0.00519 0.24574 162 4YZ -0.21896 0.09892 -0.08722 -0.11275 0.12410 163 17 H 1S -0.06134 0.10410 -0.12969 0.40049 0.03460 164 2S -0.24222 0.19214 -0.31836 0.22694 -0.02883 165 18 C 1S -0.02360 0.00624 -0.01768 0.00232 0.02547 166 2S -0.43173 0.04862 -0.20796 -0.09477 0.31103 167 2PX 0.03007 0.07182 0.02149 0.03145 -0.02460 168 2PY 0.03900 0.00202 0.03361 0.03023 -0.01832 169 2PZ 0.04318 0.09912 0.06271 -0.02533 -0.03489 170 3S 2.78001 -0.13381 1.96709 0.13917 -2.39762 171 3PX 0.36391 -0.05137 0.60414 0.05631 -0.33445 172 3PY 1.52463 -0.02431 1.18066 0.05305 -1.21600 173 3PZ -1.33732 0.06777 -1.56688 -0.21352 1.28289 174 4XX 0.04352 -0.15731 -0.06991 0.15013 0.09436 175 4YY 0.01761 -0.02598 0.02655 -0.05643 -0.01306 176 4ZZ -0.03552 0.19028 0.07458 -0.07935 -0.08515 177 4XY -0.00491 -0.30448 0.02109 -0.10679 -0.05570 178 4XZ 0.02629 0.08829 0.22142 0.03914 -0.18798 179 4YZ 0.01512 -0.17772 -0.05207 0.10503 -0.00661 180 19 H 1S 0.24206 -0.11476 0.30113 0.19865 -0.18822 181 2S 0.50125 -0.00974 0.60913 0.01801 -0.45493 182 20 C 1S -0.00601 0.01492 -0.00150 0.03921 0.01853 183 2S -0.05888 0.22998 0.11524 0.42327 0.42194 184 2PX -0.06969 -0.05456 -0.14562 -0.06186 -0.07855 185 2PY 0.04730 0.11743 0.03572 -0.01721 0.04553 186 2PZ 0.09486 -0.00262 0.05347 -0.03164 -0.13063 187 3S 1.27637 -1.47497 0.94368 -1.68299 -1.91095 188 3PX 0.04148 -0.32835 0.20776 -0.15350 0.26271 189 3PY -0.93630 0.25153 -0.98872 0.04151 0.61448 190 3PZ 0.17044 0.57075 0.33657 0.41109 0.05519 191 4XX 0.07584 -0.00953 -0.14838 0.16687 -0.04801 192 4YY -0.01494 -0.01847 0.01638 -0.20628 0.08120 193 4ZZ -0.06310 -0.01057 0.12254 0.07378 -0.08695 194 4XY -0.14023 -0.00647 -0.10693 0.03755 0.04799 195 4XZ 0.00979 -0.09906 0.14952 0.00505 -0.24584 196 4YZ -0.21885 -0.09933 -0.08728 0.11265 0.12390 197 21 H 1S 0.06122 0.10424 0.12930 0.40050 -0.03509 198 2S 0.24190 0.19266 0.31798 0.22722 0.02842 199 22 C 1S 0.02359 0.00626 0.01767 0.00230 -0.02548 200 2S 0.43172 0.04903 0.20802 -0.09511 -0.31104 201 2PX -0.03019 0.07180 -0.02155 0.03146 0.02452 202 2PY 0.03893 -0.00190 0.03364 -0.03018 -0.01827 203 2PZ -0.04343 0.09907 -0.06273 -0.02539 0.03493 204 3S -2.77943 -0.13698 -1.96674 0.14163 2.39749 205 3PX -0.36483 -0.05187 -0.60483 0.05639 0.33513 206 3PY 1.52462 0.02622 1.18023 -0.05360 -1.21560 207 3PZ 1.33781 0.06949 1.56720 -0.21406 -1.28300 208 4XX -0.04330 -0.15771 0.06966 0.15005 -0.09435 209 4YY -0.01750 -0.02575 -0.02641 -0.05631 0.01304 210 4ZZ 0.03517 0.19040 -0.07453 -0.07942 0.08512 211 4XY -0.00548 0.30433 0.02110 0.10684 -0.05603 212 4XZ -0.02662 0.08827 -0.22149 0.03908 0.18790 213 4YZ 0.01474 0.17776 -0.05214 -0.10507 -0.00649 214 23 H 1S -0.24204 -0.11514 -0.30135 0.19855 0.18812 215 2S -0.50154 -0.01044 -0.60919 0.01805 0.45498 146 147 148 149 150 V V V V V Eigenvalues -- 1.70180 1.77129 1.77533 1.79464 1.83238 1 1 C 1S -0.00895 -0.00160 0.00864 0.00024 -0.00602 2 2S 0.22583 -0.06148 0.15929 -0.01825 0.10249 3 2PX 0.09801 -0.02704 0.01563 0.00101 0.02860 4 2PY -0.15485 -0.00226 -0.11073 -0.00322 -0.01330 5 2PZ -0.08434 0.01660 -0.03109 -0.00454 -0.10206 6 3S 0.42510 0.16384 -2.00353 0.00991 0.00630 7 3PX -0.16508 -0.01095 -0.91274 -0.02552 0.11318 8 3PY -0.21158 -0.06247 -0.78166 -0.02005 -0.50791 9 3PZ 0.10196 -0.07510 0.99026 0.04026 0.02315 10 4XX -0.06447 -0.15951 0.02718 0.00364 0.17484 11 4YY 0.12063 0.00217 0.01118 0.04789 0.01943 12 4ZZ -0.06248 0.15837 -0.04698 -0.07193 -0.18237 13 4XY 0.14748 0.08565 0.01988 -0.01419 0.00556 14 4XZ 0.20798 -0.00780 -0.01730 -0.01331 0.00925 15 4YZ -0.20725 0.07000 0.01426 0.02152 -0.02533 16 2 C 1S -0.00581 -0.00424 -0.02335 0.00272 0.00611 17 2S 0.04487 -0.03481 -0.51341 -0.18969 0.17574 18 2PX -0.21218 0.00324 -0.07290 -0.06929 -0.02739 19 2PY 0.04482 -0.01714 -0.17643 -0.01054 0.00579 20 2PZ 0.19476 0.01023 0.00239 -0.01116 0.04971 21 3S -0.30091 0.06912 -0.27152 0.59246 -0.83786 22 3PX 0.87324 0.22487 0.16205 0.16737 0.24734 23 3PY 0.29865 0.12306 2.77654 0.07922 -0.06249 24 3PZ -0.75879 -0.12313 0.29288 -0.18797 -0.38353 25 4XX 0.08590 -0.11112 0.06000 -0.01558 -0.02382 26 4YY -0.02029 -0.01097 -0.06291 -0.02774 0.03638 27 4ZZ -0.05079 0.11436 0.06907 0.06458 -0.02213 28 4XY 0.18922 0.04191 -0.03100 -0.01046 0.04812 29 4XZ 0.06685 -0.04228 -0.02893 -0.06069 0.07839 30 4YZ -0.22395 0.01746 -0.07004 -0.06704 -0.07696 31 3 C 1S 0.00832 0.01556 -0.02828 0.00805 0.00150 32 2S -0.11188 0.18147 -0.55076 0.01719 -0.07703 33 2PX 0.14778 0.02466 0.08822 0.01921 0.06908 34 2PY 0.17935 0.01240 -0.07694 0.02662 -0.01558 35 2PZ -0.10972 -0.00566 -0.14024 0.02820 0.00284 36 3S -0.45313 -0.55531 0.64043 -0.37509 0.14049 37 3PX -0.05359 -0.01067 0.17381 0.08080 -0.25976 38 3PY -0.05430 0.10905 0.13825 0.10909 0.13101 39 3PZ 0.09579 -0.03946 0.21379 -0.07829 0.25334 40 4XX 0.10026 -0.09979 0.01412 -0.12425 0.16977 41 4YY -0.12313 -0.00095 -0.02949 0.07767 -0.02757 42 4ZZ 0.04180 0.11603 -0.01439 0.00690 -0.12975 43 4XY 0.01940 -0.06077 -0.04616 0.01302 -0.00873 44 4XZ -0.12869 -0.00684 0.01086 -0.02345 -0.03389 45 4YZ -0.14133 -0.08248 -0.00874 -0.15167 0.06635 46 4 C 1S 0.00832 0.01541 0.02836 0.00803 -0.00148 47 2S -0.11206 0.17878 0.55165 0.01671 0.07733 48 2PX 0.14795 0.02504 -0.08801 0.01929 -0.06903 49 2PY -0.17918 -0.01204 -0.07715 -0.02654 -0.01559 50 2PZ -0.10980 -0.00631 0.14021 0.02809 -0.00282 51 3S -0.45212 -0.55206 -0.64362 -0.37418 -0.14163 52 3PX -0.05433 -0.00946 -0.17384 0.08092 0.25956 53 3PY 0.05385 -0.10932 0.13761 -0.10909 0.13073 54 3PZ 0.09681 -0.03858 -0.21411 -0.07790 -0.25333 55 4XX 0.10032 -0.09978 -0.01453 -0.12422 -0.16972 56 4YY -0.12320 -0.00104 0.02946 0.07759 0.02756 57 4ZZ 0.04185 0.11594 0.01488 0.00694 0.12972 58 4XY -0.01920 0.06094 -0.04583 -0.01311 -0.00893 59 4XZ -0.12877 -0.00681 -0.01094 -0.02356 0.03385 60 4YZ 0.14121 0.08252 -0.00817 0.15166 0.06651 61 5 C 1S -0.00581 -0.00436 0.02333 0.00270 -0.00611 62 2S 0.04503 -0.03739 0.51309 -0.19000 -0.17579 63 2PX -0.21217 0.00289 0.07294 -0.06931 0.02737 64 2PY -0.04494 0.01798 -0.17630 0.01064 0.00585 65 2PZ 0.19475 0.01023 -0.00229 -0.01119 -0.04969 66 3S -0.30285 0.06840 0.27225 0.59177 0.83798 67 3PX 0.87340 0.22537 -0.16251 0.16735 -0.24691 68 3PY -0.29779 -0.13679 2.77544 -0.08089 -0.06264 69 3PZ -0.75890 -0.12124 -0.29375 -0.18766 0.38310 70 4XX 0.08605 -0.11077 -0.06047 -0.01558 0.02380 71 4YY -0.02051 -0.01134 0.06276 -0.02773 -0.03634 72 4ZZ -0.05072 0.11470 -0.06846 0.06463 0.02210 73 4XY -0.18913 -0.04177 -0.03137 0.01048 0.04819 74 4XZ 0.06671 -0.04241 0.02876 -0.06079 -0.07842 75 4YZ 0.22408 -0.01722 -0.07005 0.06706 -0.07703 76 6 C 1S -0.00897 -0.00155 -0.00865 0.00024 0.00602 77 2S 0.22567 -0.06061 -0.15954 -0.01827 -0.10259 78 2PX 0.09791 -0.02698 -0.01567 0.00100 -0.02863 79 2PY 0.15497 0.00276 -0.11069 0.00334 -0.01335 80 2PZ -0.08436 0.01648 0.03114 -0.00455 0.10206 81 3S 0.42642 0.15309 2.00439 0.00931 -0.00588 82 3PX -0.16480 -0.01587 0.91311 -0.02596 -0.11269 83 3PY 0.21114 0.06633 -0.78058 0.02004 -0.50781 84 3PZ 0.10154 -0.06982 -0.99056 0.04076 -0.02327 85 4XX -0.06427 -0.15928 -0.02803 0.00363 -0.17472 86 4YY 0.12046 0.00212 -0.01107 0.04791 -0.01945 87 4ZZ -0.06249 0.15814 0.04770 -0.07194 0.18231 88 4XY -0.14765 -0.08586 0.01940 0.01413 0.00549 89 4XZ 0.20784 -0.00789 0.01730 -0.01332 -0.00927 90 4YZ 0.20741 -0.07010 0.01395 -0.02153 -0.02539 91 7 H 1S -0.15879 -0.02104 -0.15733 0.01962 -0.04942 92 2S -0.06271 -0.00151 -0.34100 -0.03160 -0.07973 93 8 H 1S 0.05958 0.05988 -0.03871 0.11906 0.05764 94 2S 0.05532 0.07699 0.06546 -0.05226 0.10386 95 9 H 1S 0.05976 0.05960 0.03910 0.11902 -0.05737 96 2S 0.05569 0.07715 -0.06516 -0.05218 -0.10363 97 10 H 1S -0.15876 -0.02186 0.15719 0.01954 0.04943 98 2S -0.06258 -0.00330 0.34092 -0.03172 0.07973 99 11 O 1S -0.00763 -0.00234 -0.05478 0.00074 -0.00338 100 2S -0.14738 -0.06670 -1.00720 0.13744 -0.10566 101 2PX 0.12471 -0.00011 -0.02310 0.02352 0.01268 102 2PY -0.01684 -0.01935 -0.08106 0.07163 -0.04657 103 2PZ -0.13420 0.01677 -0.02445 -0.02270 -0.04151 104 3S 0.53910 0.18253 3.58299 -0.28677 0.30835 105 3PX -0.27278 -0.02206 0.18056 -0.06706 -0.04021 106 3PY 0.16741 0.06330 0.97787 -0.13600 0.12398 107 3PZ 0.30819 0.00390 0.09102 0.04706 0.11247 108 4XX -0.03918 -0.48741 -0.11554 -0.14964 0.47545 109 4YY -0.03415 -0.02239 -0.36448 0.01403 -0.01624 110 4ZZ -0.01521 0.47321 -0.12023 0.19940 -0.52360 111 4XY -0.12966 0.06424 -0.01969 0.07677 -0.14150 112 4XZ 0.02320 -0.06450 -0.25434 -0.02451 0.16984 113 4YZ 0.11755 -0.08914 0.11309 0.06648 0.09261 114 12 O 1S -0.00764 -0.00261 0.05477 0.00071 0.00338 115 2S -0.14769 -0.07161 1.00688 0.13664 0.10560 116 2PX 0.12468 -0.00027 0.02323 0.02354 -0.01267 117 2PY 0.01701 0.01973 -0.08099 -0.07150 -0.04656 118 2PZ -0.13423 0.01669 0.02452 -0.02273 0.04152 119 3S 0.53997 0.20007 -3.58192 -0.28410 -0.30829 120 3PX -0.27260 -0.02103 -0.18155 -0.06700 0.04011 121 3PY -0.16796 -0.06806 0.97741 0.13518 0.12397 122 3PZ 0.30826 0.00424 -0.09095 0.04712 -0.11243 123 4XX -0.03944 -0.48785 0.11299 -0.14973 -0.47512 124 4YY -0.03410 -0.02425 0.36435 0.01364 0.01602 125 4ZZ -0.01518 0.47258 0.12272 0.19942 0.52348 126 4XY 0.12964 -0.06459 -0.02021 -0.07693 -0.14192 127 4XZ 0.02329 -0.06585 0.25390 -0.02478 -0.17004 128 4YZ -0.11759 0.08861 0.11370 -0.06659 0.09248 129 13 C 1S -0.02270 -0.00264 -0.00002 -0.00757 0.00000 130 2S -0.25699 0.03779 -0.00020 -0.51673 0.00009 131 2PX 0.04750 0.03823 0.00013 0.11463 0.00002 132 2PY 0.00004 0.00002 0.01374 0.00001 -0.03393 133 2PZ 0.00725 0.05699 0.00009 -0.09236 0.00004 134 3S 0.49665 -0.42639 -0.00021 1.21645 -0.00047 135 3PX -0.23534 -0.05641 -0.00004 0.08068 0.00012 136 3PY -0.00006 0.00061 -0.20893 0.00006 -0.01057 137 3PZ -0.10446 -0.55463 -0.00077 1.00404 -0.00021 138 4XX -0.01633 -0.04398 -0.00004 0.16634 0.00001 139 4YY 0.03230 0.03054 0.00009 -0.00388 -0.00001 140 4ZZ -0.03314 0.02591 -0.00002 -0.14211 -0.00001 141 4XY 0.00004 -0.00008 0.01396 0.00005 -0.02872 142 4XZ 0.07368 0.20914 0.00048 -0.18635 0.00012 143 4YZ 0.00005 0.00067 -0.23119 0.00008 0.00024 144 14 H 1S -0.03639 0.02385 -0.00009 -0.26032 -0.00002 145 2S 0.04307 0.16953 0.00027 -0.24433 0.00007 146 15 H 1S -0.09615 -0.12348 -0.00019 0.26756 0.00000 147 2S -0.05880 -0.17709 -0.00031 0.18828 -0.00004 148 16 C 1S 0.00895 -0.00846 0.03160 0.00762 0.00499 149 2S 0.13054 -0.11476 0.27025 -0.08453 0.07931 150 2PX -0.04262 0.02983 -0.05321 0.02344 -0.00197 151 2PY -0.06139 -0.00977 0.02945 -0.05148 0.01847 152 2PZ -0.00752 0.00680 0.00776 -0.01135 -0.00531 153 3S -0.48980 0.57460 -0.66733 -0.65410 -0.37089 154 3PX 0.08191 -0.07616 0.18254 -0.21681 0.03481 155 3PY 0.32357 0.41480 -0.47512 -0.40557 -0.21192 156 3PZ 0.10490 0.19197 0.00104 -0.28434 -0.17709 157 4XX 0.02680 0.09126 -0.08725 -0.20774 0.01616 158 4YY -0.02672 -0.06140 0.05756 0.01813 0.02168 159 4ZZ -0.00376 -0.01212 0.03791 0.16585 -0.02301 160 4XY -0.01241 0.06480 0.14724 -0.17395 -0.03681 161 4XZ -0.00232 0.06213 -0.02217 -0.07720 0.03054 162 4YZ 0.02945 0.10354 -0.02539 -0.29193 -0.01873 163 17 H 1S 0.12947 0.05150 -0.04313 0.00001 -0.01578 164 2S 0.19689 0.13867 -0.09651 -0.09020 -0.07407 165 18 C 1S 0.00294 0.00374 0.00809 -0.00129 -0.00325 166 2S -0.00066 0.07123 0.21919 -0.17647 -0.08511 167 2PX 0.01560 -0.02831 0.01729 0.03651 0.01639 168 2PY 0.04809 0.05244 0.04837 -0.12516 0.00630 169 2PZ 0.00242 0.04436 -0.06876 -0.05499 -0.00596 170 3S 0.10775 -0.30941 -0.34967 0.25086 0.52603 171 3PX -0.06770 -0.02655 -0.07310 0.11537 0.02613 172 3PY -0.23428 -0.12427 -0.26481 0.29692 0.07615 173 3PZ 0.08199 0.23065 0.17696 -0.31351 -0.24905 174 4XX 0.06426 0.06920 -0.02459 -0.16976 0.04733 175 4YY -0.02532 -0.06643 0.03751 0.19902 0.00667 176 4ZZ -0.02144 0.01697 -0.00306 -0.08832 -0.02900 177 4XY -0.00009 0.04710 -0.01950 -0.14319 -0.00236 178 4XZ -0.03899 -0.06687 -0.05260 0.02846 -0.00271 179 4YZ 0.03234 -0.05920 0.03777 0.21899 -0.01027 180 19 H 1S -0.05450 -0.09999 -0.05095 0.26718 0.00765 181 2S -0.07777 -0.04597 -0.04277 0.09212 0.03485 182 20 C 1S 0.00895 -0.00829 -0.03163 0.00765 -0.00501 183 2S 0.13060 -0.11311 -0.27072 -0.08439 -0.07949 184 2PX -0.04263 0.02952 0.05333 0.02335 0.00197 185 2PY 0.06131 0.00963 0.02962 0.05152 0.01844 186 2PZ -0.00747 0.00681 -0.00773 -0.01133 0.00537 187 3S -0.48986 0.57011 0.66907 -0.65464 0.37185 188 3PX 0.08195 -0.07487 -0.18286 -0.21690 -0.03486 189 3PY -0.32332 -0.41198 -0.47690 0.40571 -0.21248 190 3PZ 0.10461 0.19167 -0.00051 -0.28422 0.17701 191 4XX 0.02682 0.09087 0.08732 -0.20801 -0.01597 192 4YY -0.02672 -0.06106 -0.05765 0.01827 -0.02183 193 4ZZ -0.00374 -0.01203 -0.03786 0.16598 0.02300 194 4XY 0.01237 -0.06542 0.14724 0.17365 -0.03678 195 4XZ -0.00217 0.06206 0.02245 -0.07741 -0.03041 196 4YZ -0.02953 -0.10341 -0.02563 0.29193 -0.01880 197 21 H 1S 0.12944 0.05124 0.04335 -0.00001 0.01590 198 2S 0.19678 0.13808 0.09722 -0.09019 0.07412 199 22 C 1S 0.00294 0.00377 -0.00807 -0.00129 0.00326 200 2S -0.00058 0.07215 -0.21898 -0.17625 0.08522 201 2PX 0.01561 -0.02820 -0.01739 0.03647 -0.01643 202 2PY -0.04807 -0.05268 0.04817 0.12511 0.00621 203 2PZ 0.00237 0.04400 0.06891 -0.05504 0.00598 204 3S 0.10747 -0.30979 0.34857 0.25047 -0.52639 205 3PX -0.06785 -0.02682 0.07319 0.11547 -0.02615 206 3PY 0.23459 0.12512 -0.26420 -0.29655 0.07627 207 3PZ 0.08225 0.23097 -0.17611 -0.31350 0.24934 208 4XX 0.06433 0.06915 0.02484 -0.16995 -0.04711 209 4YY -0.02531 -0.06632 -0.03769 0.19929 -0.00675 210 4ZZ -0.02150 0.01698 0.00306 -0.08839 0.02889 211 4XY 0.00018 -0.04690 -0.01962 0.14293 -0.00243 212 4XZ -0.03909 -0.06718 0.05226 0.02863 0.00265 213 4YZ -0.03236 0.05898 0.03787 -0.21897 -0.01025 214 23 H 1S -0.05458 -0.10024 0.05065 0.26720 -0.00767 215 2S -0.07790 -0.04604 0.04256 0.09210 -0.03492 151 152 153 154 155 V V V V V Eigenvalues -- 1.84511 1.84722 1.85951 1.89007 1.90259 1 1 C 1S 0.00192 0.00448 0.01768 -0.00212 0.00395 2 2S 0.14039 -0.16936 -0.13110 0.00014 0.06754 3 2PX 0.04337 -0.04971 -0.15136 -0.07943 0.05728 4 2PY -0.00457 0.00083 0.06675 0.09796 0.00670 5 2PZ -0.00488 0.05497 0.13100 0.07340 -0.01884 6 3S -0.48212 0.03391 -0.46375 0.51407 -0.22171 7 3PX -0.24488 0.09487 -0.27442 -0.35189 0.02217 8 3PY 0.12789 0.06266 0.78909 -0.99075 0.04216 9 3PZ 0.10248 -0.08009 0.48660 0.34341 0.09008 10 4XX -0.21376 0.00664 0.03598 0.03276 0.16116 11 4YY -0.00303 -0.04449 -0.03687 0.01959 0.00468 12 4ZZ 0.21658 0.05258 -0.03485 -0.03268 -0.16776 13 4XY 0.13000 -0.01265 -0.09421 0.16965 -0.13008 14 4XZ 0.10697 -0.04525 -0.21500 -0.11962 0.04577 15 4YZ -0.04160 -0.01530 0.02092 -0.12355 0.00597 16 2 C 1S 0.00413 0.01539 -0.01201 -0.00940 0.01566 17 2S 0.25069 0.33627 -0.24087 -0.03884 0.08300 18 2PX 0.07066 0.06853 0.07422 -0.01011 -0.02465 19 2PY 0.07686 0.05093 -0.04533 0.01727 0.00971 20 2PZ 0.01116 -0.05197 -0.08815 0.05957 -0.02688 21 3S -0.99849 -1.79990 1.35174 -0.74684 -0.80546 22 3PX -0.51744 -0.82668 -1.05492 0.83007 -0.59898 23 3PY 0.23427 -0.07508 -0.28419 2.44964 0.16402 24 3PZ 0.79872 0.78593 0.94249 -0.42373 0.13054 25 4XX -0.00689 -0.03139 -0.11703 0.11199 0.00657 26 4YY -0.01170 -0.00262 0.03395 -0.14067 -0.01762 27 4ZZ 0.02895 0.02629 0.08166 0.08165 0.03713 28 4XY 0.03211 -0.17190 -0.18810 -0.09138 -0.13219 29 4XZ 0.21235 0.15729 -0.16309 0.08471 0.07354 30 4YZ 0.07400 0.13044 0.22960 -0.02016 -0.09235 31 3 C 1S -0.04257 -0.01967 -0.01176 0.03116 -0.01821 32 2S -0.45226 -0.08297 0.17225 0.44506 -0.28979 33 2PX -0.07593 -0.12730 -0.06229 -0.02009 -0.09280 34 2PY 0.00149 -0.04809 -0.07262 0.00371 0.06771 35 2PZ -0.03172 0.07371 0.09508 0.08669 0.01133 36 3S 1.84562 1.16887 0.74037 -1.57365 1.12003 37 3PX 0.05077 -0.52771 -0.11540 0.39839 0.14645 38 3PY -0.74097 -0.54899 0.31431 0.01253 -0.49655 39 3PZ 0.01199 0.51561 0.18270 -0.66099 0.35171 40 4XX 0.08607 -0.00400 -0.01553 -0.15144 -0.00531 41 4YY -0.02128 0.02528 0.03415 0.16084 -0.13213 42 4ZZ -0.04406 0.02745 -0.03349 -0.04010 0.20506 43 4XY -0.03359 -0.02444 0.03087 0.09380 -0.02823 44 4XZ 0.00099 0.19852 0.10750 0.24316 0.18240 45 4YZ 0.25790 0.04594 0.05304 -0.02966 -0.23078 46 4 C 1S -0.04239 0.02005 0.01179 0.03117 -0.01824 47 2S -0.45165 0.08696 -0.17199 0.44530 -0.28970 48 2PX -0.07473 0.12805 0.06236 -0.02006 -0.09276 49 2PY -0.00203 -0.04795 -0.07254 -0.00373 -0.06774 50 2PZ -0.03251 -0.07345 -0.09505 0.08673 0.01139 51 3S 1.83482 -1.18520 -0.74150 -1.57503 1.11960 52 3PX 0.05464 0.52738 0.11523 0.39901 0.14682 53 3PY 0.73609 -0.55555 0.31397 -0.01216 0.49701 54 3PZ 0.00742 -0.51546 -0.18265 -0.66178 0.35078 55 4XX 0.08596 0.00336 0.01539 -0.15137 -0.00548 56 4YY -0.02141 -0.02515 -0.03407 0.16073 -0.13215 57 4ZZ -0.04426 -0.02712 0.03356 -0.04011 0.20516 58 4XY 0.03348 -0.02468 0.03083 -0.09407 0.02835 59 4XZ -0.00073 -0.19871 -0.10745 0.24309 0.18217 60 4YZ -0.25742 0.04812 0.05316 0.02989 0.23089 61 5 C 1S 0.00400 -0.01542 0.01202 -0.00941 0.01564 62 2S 0.24754 -0.33854 0.24071 -0.03906 0.08276 63 2PX 0.07003 -0.06918 -0.07422 -0.01010 -0.02463 64 2PY -0.07630 0.05160 -0.04533 -0.01727 -0.00967 65 2PZ 0.01166 0.05184 0.08812 0.05957 -0.02691 66 3S -0.98266 1.80953 -1.35141 -0.74564 -0.80398 67 3PX -0.50936 0.83127 1.05545 0.83227 -0.59902 68 3PY -0.23542 -0.07093 -0.28356 -2.44985 -0.16579 69 3PZ 0.79138 -0.79291 -0.94288 -0.42390 0.13094 70 4XX -0.00646 0.03167 0.11727 0.11192 0.00638 71 4YY -0.01176 0.00255 -0.03422 -0.14061 -0.01739 72 4ZZ 0.02868 -0.02662 -0.08163 0.08169 0.03712 73 4XY -0.03375 -0.17169 -0.18793 0.09158 0.13224 74 4XZ 0.21099 -0.15939 0.16282 0.08465 0.07348 75 4YZ -0.07258 0.13091 0.22975 0.02028 0.09234 76 6 C 1S 0.00188 -0.00450 -0.01768 -0.00211 0.00396 77 2S 0.14187 0.16803 0.13100 0.00021 0.06771 78 2PX 0.04386 0.04934 0.15128 -0.07938 0.05728 79 2PY 0.00465 0.00086 0.06682 -0.09803 -0.00665 80 2PZ -0.00540 -0.05496 -0.13098 0.07339 -0.01882 81 3S -0.48177 -0.02969 0.46407 0.51333 -0.22378 82 3PX -0.24546 -0.09248 0.27400 -0.35282 0.02137 83 3PY -0.12766 0.06324 0.78950 0.99080 -0.04152 84 3PZ 0.10284 0.07887 -0.48662 0.34366 0.09095 85 4XX -0.21378 -0.00479 -0.03573 0.03299 0.16098 86 4YY -0.00277 0.04448 0.03673 0.01939 0.00482 87 4ZZ 0.21623 -0.05442 0.03475 -0.03272 -0.16774 88 4XY -0.13033 -0.01143 -0.09418 -0.16960 0.13021 89 4XZ 0.10746 0.04436 0.21490 -0.11968 0.04569 90 4YZ 0.04152 -0.01576 0.02101 0.12347 -0.00592 91 7 H 1S -0.04525 -0.03567 -0.03569 -0.43005 0.09636 92 2S -0.02919 0.01127 0.00239 -0.27691 -0.02006 93 8 H 1S -0.39388 0.01033 0.07285 0.12932 0.02483 94 2S -0.28396 -0.00098 0.12309 -0.12189 -0.12765 95 9 H 1S -0.39398 -0.00674 -0.07256 0.12925 0.02452 96 2S -0.28387 0.00368 -0.12293 -0.12202 -0.12796 97 10 H 1S -0.04485 0.03633 0.03571 -0.43004 0.09621 98 2S -0.02918 -0.01083 -0.00241 -0.27699 -0.02037 99 11 O 1S -0.00992 -0.00908 0.01221 -0.04690 -0.00457 100 2S -0.12634 -0.18819 0.20581 -0.76898 -0.08558 101 2PX 0.03006 -0.09227 -0.11484 -0.01997 -0.06635 102 2PY -0.01141 -0.01866 0.01424 0.03233 0.03923 103 2PZ 0.03849 0.07910 0.11889 0.01441 -0.04488 104 3S 0.60574 0.67939 -0.86127 3.11656 0.40112 105 3PX 0.05372 0.26838 0.26878 0.08860 0.19617 106 3PY 0.18343 0.23701 -0.27281 0.80581 0.09036 107 3PZ -0.13596 -0.19857 -0.32369 0.13381 0.07121 108 4XX -0.17599 -0.00788 0.26937 -0.07816 -0.00799 109 4YY 0.02618 -0.04970 0.03204 -0.25578 -0.08322 110 4ZZ 0.05878 -0.04435 -0.18182 -0.08686 0.06493 111 4XY -0.07346 0.08064 0.17872 -0.06388 0.15660 112 4XZ 0.17279 0.27306 -0.30849 0.14702 0.10974 113 4YZ -0.15172 -0.15117 -0.09119 -0.01946 0.08138 114 12 O 1S -0.00984 0.00919 -0.01221 -0.04690 -0.00458 115 2S -0.12471 0.18977 -0.20583 -0.76904 -0.08576 116 2PX 0.03096 0.09205 0.11481 -0.01992 -0.06635 117 2PY 0.01125 -0.01868 0.01430 -0.03239 -0.03924 118 2PZ 0.03773 -0.07941 -0.11890 0.01439 -0.04485 119 3S 0.59992 -0.68667 0.86132 3.11694 0.40188 120 3PX 0.05127 -0.26917 -0.26858 0.08913 0.19634 121 3PY -0.18135 0.23893 -0.27300 -0.80577 -0.09035 122 3PZ -0.13405 0.19966 0.32376 0.13390 0.07113 123 4XX -0.17642 0.00937 -0.26962 -0.07819 -0.00790 124 4YY 0.02671 0.04972 -0.03187 -0.25574 -0.08348 125 4ZZ 0.05957 0.04393 0.18190 -0.08691 0.06499 126 4XY 0.07405 0.07997 0.17846 0.06404 -0.15659 127 4XZ 0.17018 -0.27461 0.30850 0.14688 0.10981 128 4YZ 0.15045 -0.15267 -0.09103 0.01952 -0.08125 129 13 C 1S -0.00324 0.00001 0.00000 0.02007 0.01143 130 2S -0.16215 0.00086 0.00005 -0.14851 0.08629 131 2PX -0.07319 0.00023 0.00005 0.09924 -0.04937 132 2PY 0.00089 0.22825 -0.10796 0.00014 0.00016 133 2PZ -0.09257 0.00046 0.00001 -0.07985 0.00548 134 3S 1.12225 -0.00529 -0.00030 -0.48042 0.21149 135 3PX -0.23983 0.00129 0.00009 0.12458 -0.39659 136 3PY -0.00151 -0.28649 -0.00387 0.00001 -0.00009 137 3PZ 0.49240 -0.00220 -0.00011 -0.09076 -0.29033 138 4XX -0.04718 0.00018 0.00001 -0.08313 -0.22836 139 4YY -0.00980 0.00013 -0.00002 0.10735 0.14340 140 4ZZ 0.04681 -0.00028 0.00001 -0.00738 0.08652 141 4XY 0.00078 0.18834 -0.06738 0.00000 -0.00004 142 4XZ -0.29668 0.00146 0.00008 0.04393 -0.08336 143 4YZ -0.00163 -0.34037 0.03895 -0.00013 -0.00018 144 14 H 1S 0.09043 -0.00046 -0.00001 0.06529 0.28677 145 2S -0.19881 0.00089 0.00005 0.01890 0.05327 146 15 H 1S -0.02756 0.00017 0.00000 0.05558 -0.16247 147 2S 0.11931 -0.00049 -0.00002 -0.08154 -0.06347 148 16 C 1S 0.02197 0.01657 0.00262 -0.02335 0.01706 149 2S 0.27427 -0.20804 0.06643 -0.21809 0.20426 150 2PX -0.04050 -0.02547 0.03479 0.01670 -0.03422 151 2PY -0.01745 -0.08629 0.06809 0.03829 -0.03748 152 2PZ -0.07446 0.08301 -0.04064 0.13318 -0.09690 153 3S -1.23622 0.06737 -0.34547 0.85166 -0.89183 154 3PX 0.26462 -0.00484 -0.07045 -0.20506 0.37211 155 3PY -0.57501 0.13900 -0.64179 0.28330 -0.25259 156 3PZ 0.07574 -0.04476 -0.10773 -0.06530 0.15794 157 4XX -0.14541 -0.02441 0.02226 0.05238 -0.16501 158 4YY 0.12524 0.07996 -0.03035 0.00886 0.12149 159 4ZZ -0.02221 -0.01673 0.01247 -0.02061 0.00258 160 4XY 0.03389 0.16319 -0.01218 0.09103 0.13739 161 4XZ -0.14522 -0.07171 0.01594 0.02344 -0.18265 162 4YZ -0.01681 -0.23820 0.05810 -0.13354 0.15982 163 17 H 1S -0.08238 0.07741 -0.10022 0.01401 -0.07114 164 2S -0.07455 -0.00122 -0.20944 0.05366 0.00467 165 18 C 1S -0.00969 -0.00706 -0.00299 0.00684 -0.02175 166 2S -0.13467 0.14710 -0.05487 -0.07729 -0.22767 167 2PX 0.05492 0.04439 -0.03611 0.01576 -0.02860 168 2PY -0.06306 0.11677 -0.03455 -0.05202 -0.02299 169 2PZ -0.02953 -0.09617 0.00994 0.04325 0.09571 170 3S 0.45490 -0.19638 0.77552 -0.25612 0.60870 171 3PX -0.05304 -0.03976 0.22613 -0.05135 -0.00907 172 3PY 0.14312 -0.08792 0.50509 0.07138 -0.06222 173 3PZ -0.32711 0.11148 -0.36155 0.21404 -0.30642 174 4XX -0.16603 0.00637 -0.02662 0.04040 -0.25816 175 4YY 0.04000 0.09440 -0.02306 0.15507 0.01342 176 4ZZ 0.10709 -0.07332 0.04162 -0.17614 0.18337 177 4XY -0.04671 0.02577 -0.00922 0.02343 0.06816 178 4XZ 0.09569 0.07456 -0.01934 0.04225 -0.13378 179 4YZ 0.04701 0.07096 -0.02672 -0.13510 -0.04658 180 19 H 1S 0.04295 0.09068 0.04896 -0.05803 -0.19402 181 2S 0.06648 -0.06660 0.15714 -0.00478 0.06725 182 20 C 1S 0.02179 -0.01677 -0.00264 -0.02336 0.01707 183 2S 0.27565 0.20560 -0.06661 -0.21794 0.20482 184 2PX -0.04032 0.02589 -0.03480 0.01679 -0.03418 185 2PY 0.01678 -0.08642 0.06803 -0.03841 0.03730 186 2PZ -0.07511 -0.08239 0.04071 0.13307 -0.09705 187 3S -1.23474 -0.05610 0.34629 0.85146 -0.89337 188 3PX 0.26428 0.00242 0.07056 -0.20503 0.37206 189 3PY 0.57492 0.13385 -0.64203 -0.28298 0.25417 190 3PZ 0.07673 0.04396 0.10754 -0.06523 0.15800 191 4XX -0.14520 0.02558 -0.02219 0.05252 -0.16485 192 4YY 0.12442 -0.08087 0.03025 0.00865 0.12143 193 4ZZ -0.02197 0.01683 -0.01242 -0.02055 0.00245 194 4XY -0.03268 0.16367 -0.01227 -0.09088 -0.13735 195 4XZ -0.14465 0.07325 -0.01590 0.02336 -0.18251 196 4YZ 0.01467 -0.23830 0.05806 0.13336 -0.16012 197 21 H 1S -0.08288 -0.07669 0.10024 0.01391 -0.07137 198 2S -0.07419 0.00183 0.20943 0.05358 0.00433 199 22 C 1S -0.00961 0.00715 0.00299 0.00684 -0.02176 200 2S -0.13564 -0.14578 0.05495 -0.07750 -0.22796 201 2PX 0.05448 -0.04496 0.03608 0.01568 -0.02862 202 2PY 0.06410 0.11613 -0.03456 0.05212 0.02309 203 2PZ -0.02864 0.09638 -0.00990 0.04335 0.09577 204 3S 0.45388 0.19224 -0.77581 -0.25538 0.61065 205 3PX -0.05299 0.04033 -0.22635 -0.05108 -0.00894 206 3PY -0.14287 -0.08661 0.50495 -0.07203 0.06131 207 3PZ -0.32690 -0.10860 0.36186 0.21370 -0.30726 208 4XX -0.16618 -0.00480 0.02670 0.04040 -0.25813 209 4YY 0.03924 -0.09483 0.02305 0.15493 0.01325 210 4ZZ 0.10772 0.07237 -0.04168 -0.17600 0.18351 211 4XY 0.04676 0.02543 -0.00925 -0.02355 -0.06833 212 4XZ 0.09508 -0.07541 0.01923 0.04211 -0.13378 213 4YZ -0.04639 0.07118 -0.02659 0.13525 0.04660 214 23 H 1S 0.04208 -0.09091 -0.04905 -0.05805 -0.19406 215 2S 0.06674 0.06599 -0.15716 -0.00459 0.06757 156 157 158 159 160 V V V V V Eigenvalues -- 1.91045 1.91981 1.92517 1.94249 1.98305 1 1 C 1S 0.01947 0.01389 0.01246 0.00019 0.01477 2 2S -0.02945 0.21591 0.11416 0.01751 0.17312 3 2PX 0.02149 -0.03257 0.00846 -0.05268 -0.02997 4 2PY 0.00968 0.02926 -0.00995 0.05944 0.11434 5 2PZ -0.05147 0.01862 0.03225 0.03040 0.03324 6 3S -0.50664 -0.66821 -2.06444 0.31906 -2.25483 7 3PX -0.12330 -0.14145 -0.72100 -0.07713 -0.43237 8 3PY 0.06998 0.13414 -0.98573 -0.43812 -1.15794 9 3PZ 0.05110 0.13935 0.72825 0.14803 0.26740 10 4XX -0.12346 0.05312 -0.01222 0.10001 -0.12437 11 4YY 0.10331 -0.11440 -0.02109 -0.06216 0.03411 12 4ZZ 0.02078 0.09770 0.01624 -0.00142 0.07687 13 4XY -0.17124 0.09929 0.02262 0.11035 -0.12758 14 4XZ 0.37760 0.12668 -0.08771 -0.06342 0.23222 15 4YZ 0.28179 -0.05360 0.01647 -0.12393 0.02935 16 2 C 1S 0.01158 -0.01559 0.00008 -0.00650 0.00394 17 2S -0.19559 -0.13432 0.03759 0.15552 -0.09866 18 2PX 0.05196 0.02103 0.04288 0.03690 0.08158 19 2PY 0.00882 0.02690 -0.05534 0.05357 0.10953 20 2PZ -0.02643 0.02024 -0.00317 0.04274 0.02336 21 3S -0.18472 0.94775 -0.63013 -0.42980 0.44796 22 3PX 0.26586 0.11116 -0.40185 0.24733 0.42700 23 3PY 1.28117 0.46842 1.78225 0.77656 2.31115 24 3PZ 0.30618 0.08966 0.61977 -0.31685 0.07585 25 4XX 0.18804 0.04896 0.00600 -0.00297 0.19057 26 4YY -0.29597 -0.04796 0.00684 -0.03335 -0.41388 27 4ZZ 0.20363 0.08234 -0.00145 0.03384 0.30048 28 4XY 0.01357 -0.01296 -0.11327 -0.05721 -0.09217 29 4XZ -0.07507 0.09898 0.08700 0.02636 0.07532 30 4YZ -0.02128 0.01132 0.07652 -0.00724 -0.07808 31 3 C 1S 0.02669 0.01774 -0.04827 0.00872 0.03807 32 2S 0.09036 0.40643 -0.25269 0.20599 0.60629 33 2PX 0.08442 -0.02416 -0.03070 -0.00003 0.03324 34 2PY 0.03460 0.04681 -0.01893 -0.07191 0.06206 35 2PZ -0.02884 0.04429 0.10082 0.05644 0.08249 36 3S -0.57505 -0.89259 1.05386 -0.67176 -3.61681 37 3PX -0.00681 0.22053 0.44198 0.17123 0.61102 38 3PY -0.11324 0.12347 -0.50075 0.18750 -1.35896 39 3PZ -0.29937 -0.29540 -0.48976 -0.24714 -1.08708 40 4XX 0.08184 0.14799 -0.03211 -0.09439 -0.02012 41 4YY 0.10477 -0.14821 0.03090 0.13815 0.02527 42 4ZZ -0.16929 0.02360 -0.02763 -0.10803 -0.05536 43 4XY 0.06796 -0.06154 -0.09196 -0.02388 0.16557 44 4XZ 0.04518 0.16971 0.04666 0.09691 0.21920 45 4YZ 0.00763 0.06774 -0.05309 0.01478 -0.02353 46 4 C 1S 0.02673 0.01804 0.04816 0.00877 -0.03819 47 2S 0.09065 0.40815 0.25015 0.20633 -0.60697 48 2PX 0.08449 -0.02393 0.03072 -0.00004 -0.03300 49 2PY -0.03454 -0.04695 -0.01881 0.07189 0.06252 50 2PZ -0.02888 0.04367 -0.10106 0.05635 -0.08309 51 3S -0.57645 -0.90064 -1.04815 -0.67335 3.62180 52 3PX -0.00720 0.21829 -0.44287 0.17114 -0.60961 53 3PY 0.11314 -0.12578 -0.50017 -0.18779 -1.35676 54 3PZ -0.29922 -0.29297 0.49202 -0.24687 1.08619 55 4XX 0.08192 0.14810 0.03159 -0.09439 0.01694 56 4YY 0.10468 -0.14832 -0.03047 0.13813 -0.02409 57 4ZZ -0.16925 0.02375 0.02772 -0.10800 0.05707 58 4XY -0.06810 0.06118 -0.09228 0.02362 0.16671 59 4XZ 0.04523 0.16945 -0.04754 0.09688 -0.21981 60 4YZ -0.00762 -0.06798 -0.05227 -0.01473 -0.02581 61 5 C 1S 0.01158 -0.01560 0.00002 -0.00650 -0.00401 62 2S -0.19562 -0.13475 -0.03683 0.15543 0.09965 63 2PX 0.05194 0.02079 -0.04310 0.03688 -0.08112 64 2PY -0.00883 -0.02717 -0.05507 -0.05361 0.10854 65 2PZ -0.02644 0.02030 0.00309 0.04275 -0.02409 66 3S -0.18454 0.95219 0.62423 -0.42881 -0.44822 67 3PX 0.26714 0.11425 0.39982 0.24850 -0.43362 68 3PY -1.28033 -0.45888 1.78612 -0.77493 2.30712 69 3PZ 0.30581 0.08590 -0.62077 -0.31753 -0.07261 70 4XX 0.18808 0.04897 -0.00627 -0.00301 -0.18991 71 4YY -0.29605 -0.04804 -0.00649 -0.03330 0.41343 72 4ZZ 0.20368 0.08237 0.00080 0.03384 -0.30046 73 4XY -0.01320 0.01235 -0.11334 0.05713 -0.09209 74 4XZ -0.07514 0.09846 -0.08768 0.02629 -0.07463 75 4YZ 0.02129 -0.01078 0.07655 0.00736 -0.07764 76 6 C 1S 0.01947 0.01382 -0.01256 0.00018 -0.01468 77 2S -0.02955 0.21534 -0.11557 0.01749 -0.17136 78 2PX 0.02147 -0.03260 -0.00824 -0.05262 0.03038 79 2PY -0.00969 -0.02936 -0.00976 -0.05948 0.11449 80 2PZ -0.05148 0.01842 -0.03233 0.03035 -0.03350 81 3S -0.50557 -0.65714 2.06910 0.32058 2.24798 82 3PX -0.12278 -0.13746 0.72275 -0.07691 0.43199 83 3PY -0.07046 -0.13943 -0.98425 0.43738 -1.15998 84 3PZ 0.05058 0.13534 -0.72930 0.14747 -0.26524 85 4XX -0.12365 0.05324 0.01195 0.10017 0.12555 86 4YY 0.10355 -0.11439 0.02179 -0.06228 -0.03401 87 4ZZ 0.02074 0.09765 -0.01690 -0.00144 -0.07845 88 4XY 0.17107 -0.09903 0.02326 -0.11020 -0.12690 89 4XZ 0.37788 0.12719 0.08662 -0.06340 -0.23046 90 4YZ -0.28153 0.05378 0.01628 0.12390 0.02946 91 7 H 1S 0.41760 0.01006 -0.17369 -0.24181 0.14078 92 2S -0.04643 0.07409 -0.33099 -0.09745 -0.17714 93 8 H 1S 0.07415 0.04298 -0.25759 0.06901 0.09598 94 2S -0.00309 0.01894 -0.37757 -0.00501 -0.27727 95 9 H 1S 0.07437 0.04450 0.25759 0.06925 -0.09929 96 2S -0.00286 0.02111 0.37742 -0.00467 0.27702 97 10 H 1S 0.41773 0.01105 0.17345 -0.24166 -0.13938 98 2S -0.04622 0.07589 0.33058 -0.09720 0.17698 99 11 O 1S -0.02625 0.00111 -0.03105 -0.01604 -0.03128 100 2S -0.32449 -0.09809 -0.55358 -0.28369 -0.28049 101 2PX 0.06246 0.00274 -0.05433 -0.01555 0.04441 102 2PY 0.15581 0.00750 -0.04901 -0.00492 0.26814 103 2PZ 0.03737 0.02324 0.04678 -0.00213 0.03519 104 3S 1.58613 0.24497 2.17067 1.10107 1.97418 105 3PX -0.02571 -0.00113 0.24896 0.05581 0.02466 106 3PY 0.37879 0.05402 0.57229 0.30274 0.37687 107 3PZ -0.02608 -0.03562 -0.09810 0.07687 0.02935 108 4XX 0.03682 0.05782 -0.14919 -0.01942 0.07079 109 4YY -0.12643 -0.05303 -0.16726 -0.08572 -0.10863 110 4ZZ -0.04957 -0.00347 0.00149 -0.04583 -0.05922 111 4XY -0.10259 0.02533 0.02548 -0.04502 -0.06448 112 4XZ 0.03429 -0.57389 0.25896 -0.02448 0.01647 113 4YZ -0.08929 0.00117 -0.10577 0.03994 -0.07253 114 12 O 1S -0.02624 0.00128 0.03106 -0.01601 0.03122 115 2S -0.32426 -0.09497 0.55435 -0.28320 0.27965 116 2PX 0.06259 0.00308 0.05429 -0.01550 -0.04482 117 2PY -0.15583 -0.00781 -0.04882 0.00485 0.26773 118 2PZ 0.03735 0.02295 -0.04696 -0.00218 -0.03557 119 3S 1.58534 0.23290 -2.17306 1.09913 -1.97016 120 3PX -0.02554 -0.00260 -0.24935 0.05578 -0.02364 121 3PY -0.37858 -0.05079 0.57265 -0.30217 0.37605 122 3PZ -0.02599 -0.03499 0.09839 0.07700 -0.02897 123 4XX 0.03687 0.05879 0.14877 -0.01932 -0.07090 124 4YY -0.12625 -0.05212 0.16765 -0.08552 0.10792 125 4ZZ -0.04965 -0.00356 -0.00137 -0.04584 0.05968 126 4XY 0.10273 -0.02505 0.02544 0.04512 -0.06549 127 4XZ 0.03410 -0.57542 -0.25533 -0.02470 -0.01724 128 4YZ 0.08924 -0.00220 -0.10595 -0.04006 -0.07376 129 13 C 1S 0.01102 0.01705 -0.00006 -0.01872 -0.00004 130 2S 0.14391 0.04678 -0.00037 0.21418 -0.00091 131 2PX 0.01582 0.01946 0.00006 -0.07119 0.00006 132 2PY -0.00014 -0.00124 -0.41029 -0.00023 0.03742 133 2PZ -0.00287 -0.02634 0.00001 0.06607 -0.00008 134 3S -0.87697 -0.46279 0.00241 0.01084 0.00341 135 3PX 0.16888 0.04813 -0.00030 0.23252 -0.00015 136 3PY -0.00004 -0.00106 -0.34393 -0.00010 0.08823 137 3PZ -0.48608 -0.05626 0.00071 -0.20050 0.00009 138 4XX -0.06081 -0.09218 0.00024 0.11225 0.00044 139 4YY -0.00095 0.13168 -0.00034 -0.31803 -0.00088 140 4ZZ 0.05355 -0.05494 0.00013 0.20876 0.00070 141 4XY -0.00012 -0.00088 -0.26287 -0.00001 -0.10481 142 4XZ 0.11943 -0.08335 0.00009 0.11740 0.00047 143 4YZ 0.00008 0.00035 0.12528 0.00000 0.20742 144 14 H 1S 0.08147 0.13654 -0.00033 -0.16441 -0.00072 145 2S 0.05095 -0.01174 -0.00002 -0.00316 -0.00009 146 15 H 1S -0.04825 0.10883 -0.00030 -0.18061 -0.00074 147 2S -0.08996 -0.04234 0.00029 -0.03995 -0.00046 148 16 C 1S -0.01801 -0.00871 0.04264 -0.00641 -0.03348 149 2S -0.27831 -0.12502 0.92474 -0.30517 -0.18816 150 2PX 0.04101 -0.02564 0.05657 0.14816 0.04527 151 2PY -0.00448 -0.02578 0.22170 -0.02622 0.09140 152 2PZ -0.05730 0.00999 -0.18077 -0.25752 -0.07638 153 3S 0.99074 0.35008 -3.12795 0.40642 0.77040 154 3PX -0.09983 -0.00015 0.18872 -0.22792 -0.26657 155 3PY 0.42518 0.06555 -2.21804 -0.08516 0.32534 156 3PZ 0.18886 -0.04700 -0.36179 0.20369 0.32135 157 4XX -0.00679 -0.05264 0.00349 -0.09007 0.04232 158 4YY -0.07531 0.01662 0.09489 -0.09382 -0.22793 159 4ZZ 0.07767 0.03148 -0.11177 0.14508 0.14408 160 4XY 0.04551 0.02041 -0.21390 -0.10095 0.02700 161 4XZ 0.03452 -0.07779 0.06898 0.02859 -0.09569 162 4YZ 0.01786 -0.07293 0.11982 0.22022 0.07015 163 17 H 1S 0.03679 -0.02971 -0.31912 -0.09120 0.12021 164 2S 0.08899 -0.00078 -0.46672 -0.04981 0.06166 165 18 C 1S 0.00256 -0.00122 -0.01799 -0.00277 0.00170 166 2S 0.00337 -0.08416 -0.46885 -0.11815 -0.14213 167 2PX -0.04165 -0.00020 0.03370 0.02599 -0.01039 168 2PY -0.00517 -0.03554 -0.08186 0.11809 0.05296 169 2PZ 0.05863 0.04860 0.00035 0.03483 0.14659 170 3S -0.50428 -0.07891 3.62467 -0.05473 -0.31747 171 3PX 0.04667 0.02943 0.28824 0.03384 0.02459 172 3PY 0.09827 0.14888 1.34482 -0.01515 0.11678 173 3PZ 0.09877 -0.08075 -1.55945 -0.22996 0.04494 174 4XX -0.06913 0.00523 0.05714 -0.03858 -0.03189 175 4YY 0.03022 0.00808 -0.04191 -0.21262 -0.01019 176 4ZZ 0.01201 -0.01078 0.06010 0.26745 0.01124 177 4XY -0.00446 -0.03683 -0.03169 -0.06738 0.05306 178 4XZ -0.02813 -0.02661 0.01102 0.02319 -0.02523 179 4YZ 0.06529 -0.01644 -0.11250 0.34301 0.11102 180 19 H 1S 0.03563 0.02413 0.00198 0.21924 0.04062 181 2S 0.09191 0.09488 0.45670 0.00927 0.06504 182 20 C 1S -0.01805 -0.00898 -0.04254 -0.00646 0.03349 183 2S -0.27906 -0.13067 -0.92324 -0.30614 0.18959 184 2PX 0.04098 -0.02601 -0.05675 0.14807 -0.04502 185 2PY 0.00465 0.02708 0.22147 0.02659 0.09067 186 2PZ -0.05716 0.01109 0.18106 -0.25734 0.07664 187 3S 0.99321 0.36929 3.12356 0.40990 -0.77348 188 3PX -0.09979 -0.00127 -0.18732 -0.22811 0.26601 189 3PY -0.42672 -0.07903 -2.21714 0.08268 0.32715 190 3PZ 0.18897 -0.04477 0.36111 0.20422 -0.32061 191 4XX -0.00674 -0.05263 -0.00293 -0.09019 -0.04183 192 4YY -0.07543 0.01597 -0.09506 -0.09369 0.22799 193 4ZZ 0.07775 0.03219 0.11143 0.14506 -0.14452 194 4XY -0.04564 -0.02172 -0.21381 0.10074 0.02652 195 4XZ 0.03447 -0.07826 -0.06873 0.02867 0.09661 196 4YZ -0.01779 0.07362 0.11935 -0.22017 0.07029 197 21 H 1S 0.03699 -0.02778 0.31933 -0.09092 -0.12004 198 2S 0.08921 0.00205 0.46667 -0.04933 -0.06184 199 22 C 1S 0.00257 -0.00111 0.01798 -0.00275 -0.00170 200 2S 0.00369 -0.08137 0.46940 -0.11761 0.14187 201 2PX -0.04169 -0.00042 -0.03365 0.02604 0.01063 202 2PY 0.00507 0.03503 -0.08205 -0.11812 0.05332 203 2PZ 0.05864 0.04863 -0.00068 0.03480 -0.14698 204 3S -0.50671 -0.10084 -3.62315 -0.05874 0.31827 205 3PX 0.04663 0.02774 -0.28917 0.03346 -0.02542 206 3PY -0.09748 -0.14081 1.34556 0.01658 0.11651 207 3PZ 0.09979 -0.07133 1.56018 -0.22824 -0.04461 208 4XX -0.06918 0.00487 -0.05705 -0.03872 0.03153 209 4YY 0.03027 0.00836 0.04195 -0.21244 0.01109 210 4ZZ 0.01194 -0.01114 -0.06027 0.26731 -0.01177 211 4XY 0.00436 0.03662 -0.03208 0.06745 0.05268 212 4XZ -0.02810 -0.02665 -0.01103 0.02345 0.02647 213 4YZ -0.06538 0.01573 -0.11210 -0.34315 0.11130 214 23 H 1S 0.03565 0.02413 -0.00259 0.21921 -0.04069 215 2S 0.09164 0.09214 -0.45735 0.00881 -0.06535 161 162 163 164 165 V V V V V Eigenvalues -- 1.98587 2.02452 2.04220 2.05221 2.08275 1 1 C 1S 0.01128 0.00200 0.01533 0.00411 -0.00035 2 2S 0.21933 -0.03690 0.40626 0.07502 0.12293 3 2PX 0.06461 -0.00281 0.10744 0.03261 0.06267 4 2PY -0.02002 -0.08682 0.22305 0.07881 -0.06675 5 2PZ -0.03704 0.00649 -0.10157 -0.03412 -0.06055 6 3S -0.85331 -0.84567 0.17122 -0.13306 -0.06154 7 3PX -0.13130 -0.54191 -0.08723 -0.11691 -0.31954 8 3PY 0.32492 -0.20548 -0.67693 -0.28578 0.06243 9 3PZ 0.26429 0.41216 0.09178 0.07732 -0.15744 10 4XX 0.13804 -0.12112 0.33445 0.03706 -0.32532 11 4YY 0.02855 -0.04422 -0.44940 -0.10067 -0.03550 12 4ZZ -0.20317 0.16389 0.24666 0.11063 0.34757 13 4XY -0.07421 0.04399 -0.15363 -0.09950 -0.06190 14 4XZ 0.22273 -0.09690 0.01107 -0.02455 0.13092 15 4YZ -0.03014 -0.08204 0.11389 0.14728 -0.12867 16 2 C 1S -0.00811 -0.01538 0.00646 0.01441 0.00524 17 2S 0.12643 -0.11361 -0.13353 -0.18086 0.11326 18 2PX 0.06090 0.03932 0.03755 -0.03432 0.04118 19 2PY 0.11425 -0.14945 -0.14252 -0.19769 0.01378 20 2PZ -0.09440 0.00680 -0.05916 -0.02296 0.06965 21 3S -0.05070 0.39752 -0.15102 -0.64525 -0.16799 22 3PX -0.66344 0.01066 0.42785 -0.02916 0.28593 23 3PY 0.35223 1.02614 0.36638 0.89746 -0.22177 24 3PZ 0.41944 0.58252 -0.42351 0.27482 0.29711 25 4XX 0.06672 -0.06204 0.08852 0.00222 -0.04378 26 4YY -0.03264 0.25970 0.07493 0.05042 0.00857 27 4ZZ -0.00648 -0.18479 -0.15434 -0.01294 0.06773 28 4XY -0.07047 0.04124 0.00011 0.03197 0.03538 29 4XZ 0.07889 0.06174 0.04835 0.08522 0.20807 30 4YZ -0.06145 0.08934 -0.00109 0.00048 -0.01173 31 3 C 1S -0.01795 0.01558 -0.00087 -0.00202 0.01219 32 2S -0.11115 0.27746 -0.22870 0.38470 0.20682 33 2PX 0.03376 -0.01399 0.01415 0.05290 0.01781 34 2PY -0.05588 -0.11817 -0.05262 0.23965 -0.13063 35 2PZ -0.08074 0.06131 -0.06326 0.05532 0.06504 36 3S 0.73163 -1.70543 -0.24171 0.03500 -0.42026 37 3PX 0.06834 -0.13202 0.01368 -0.12508 -0.49325 38 3PY -0.34695 -1.00053 0.19661 -0.66633 0.07026 39 3PZ -0.02179 -0.84335 0.04378 -0.01578 -0.06870 40 4XX -0.37991 0.12910 -0.01201 0.15948 0.22546 41 4YY 0.11087 -0.04856 0.13283 -0.36991 -0.10246 42 4ZZ 0.23622 -0.10200 -0.11239 0.23250 -0.14069 43 4XY -0.12637 -0.17240 0.03823 0.16936 -0.05953 44 4XZ -0.07816 -0.23663 -0.09139 0.07997 -0.00944 45 4YZ 0.26238 0.06534 -0.00971 -0.13441 0.12936 46 4 C 1S -0.01765 -0.01560 -0.00086 -0.00206 -0.01220 47 2S -0.10653 -0.27728 -0.22859 0.38417 -0.20708 48 2PX 0.03395 0.01406 0.01413 0.05300 -0.01784 49 2PY 0.05542 -0.11821 0.05260 -0.23974 -0.13040 50 2PZ -0.08011 -0.06129 -0.06326 0.05522 -0.06507 51 3S 0.70462 1.70581 -0.24229 0.03711 0.42059 52 3PX 0.07221 0.13273 0.01383 -0.12522 0.49334 53 3PY 0.35695 -1.00005 -0.19632 0.66618 0.07011 54 3PZ -0.02992 0.84299 0.04382 -0.01537 0.06871 55 4XX -0.38003 -0.12902 -0.01208 0.15945 -0.22559 56 4YY 0.11125 0.04831 0.13284 -0.37001 0.10267 57 4ZZ 0.23560 0.10213 -0.11233 0.23268 0.14057 58 4XY 0.12483 -0.17243 -0.03838 -0.16898 -0.05965 59 4XZ -0.07636 0.23645 -0.09138 0.07988 0.00927 60 4YZ -0.26222 0.06539 0.00970 0.13449 0.12921 61 5 C 1S -0.00807 0.01537 0.00646 0.01440 -0.00526 62 2S 0.12580 0.11358 -0.13357 -0.18090 -0.11294 63 2PX 0.06161 -0.03918 0.03745 -0.03448 -0.04115 64 2PY -0.11513 -0.14949 0.14256 0.19773 0.01351 65 2PZ -0.09420 -0.00686 -0.05919 -0.02307 -0.06961 66 3S -0.04745 -0.39736 -0.15095 -0.64572 0.16836 67 3PX -0.65979 -0.01172 0.42790 -0.02916 -0.28616 68 3PY -0.36882 1.02563 -0.36635 -0.89739 -0.22123 69 3PZ 0.41999 -0.58211 -0.42348 0.27477 -0.29705 70 4XX 0.06815 0.06201 0.08852 0.00216 0.04372 71 4YY -0.03577 -0.25961 0.07492 0.05056 -0.00857 72 4ZZ -0.00418 0.18474 -0.15435 -0.01306 -0.06772 73 4XY 0.07122 0.04155 -0.00005 -0.03198 0.03549 74 4XZ 0.07947 -0.06171 0.04828 0.08505 -0.20810 75 4YZ 0.06211 0.08930 0.00111 -0.00046 -0.01191 76 6 C 1S 0.01139 -0.00200 0.01533 0.00410 0.00035 77 2S 0.22056 0.03704 0.40621 0.07482 -0.12303 78 2PX 0.06438 0.00290 0.10755 0.03261 -0.06267 79 2PY 0.01919 -0.08683 -0.22300 -0.07875 -0.06668 80 2PZ -0.03681 -0.00649 -0.10155 -0.03408 0.06060 81 3S -0.86896 0.84511 0.17100 -0.13252 0.06136 82 3PX -0.13392 0.54188 -0.08763 -0.11682 0.31957 83 3PY -0.31702 -0.20521 0.67694 0.28545 0.06217 84 3PZ 0.26569 -0.41198 0.09194 0.07751 0.15746 85 4XX 0.13690 0.12109 0.33442 0.03724 0.32532 86 4YY 0.02890 0.04429 -0.44921 -0.10055 0.03563 87 4ZZ -0.20245 -0.16397 0.24649 0.11034 -0.34778 88 4XY 0.07529 0.04406 0.15424 0.09951 -0.06179 89 4XZ 0.22462 0.09699 0.01109 -0.02470 -0.13076 90 4YZ 0.03010 -0.08194 -0.11396 -0.14737 -0.12856 91 7 H 1S 0.18456 -0.17634 -0.00164 0.03870 0.01532 92 2S -0.01229 -0.14897 -0.16396 -0.09453 -0.01303 93 8 H 1S -0.41657 -0.19696 0.04297 0.02488 0.07895 94 2S -0.01538 -0.15420 0.03809 -0.05926 0.09003 95 9 H 1S -0.41574 0.19667 0.04301 0.02466 -0.07907 96 2S -0.01738 0.15407 0.03812 -0.05936 -0.08999 97 10 H 1S 0.18579 0.17637 -0.00165 0.03855 -0.01534 98 2S -0.01339 0.14894 -0.16397 -0.09450 0.01314 99 11 O 1S -0.00618 -0.00748 -0.00080 -0.00920 0.00221 100 2S -0.07512 -0.39212 -0.15193 -0.30739 -0.02889 101 2PX -0.02585 -0.02213 0.03006 -0.00780 0.04480 102 2PY 0.04485 -0.21144 -0.07000 -0.07168 -0.03703 103 2PZ -0.04784 0.02827 -0.05950 0.00747 0.05579 104 3S 0.38172 1.02340 0.41263 1.09001 -0.01786 105 3PX 0.16000 0.03385 -0.10345 0.05846 -0.13800 106 3PY 0.07084 0.31354 0.12159 0.29624 0.05571 107 3PZ 0.04518 -0.12024 0.16431 -0.01926 -0.16128 108 4XX -0.03463 -0.05682 -0.14244 -0.00164 0.01650 109 4YY -0.06933 -0.07216 -0.04297 -0.12009 0.05026 110 4ZZ 0.07141 -0.08265 0.12872 -0.00477 -0.06748 111 4XY 0.11525 -0.06596 -0.22927 0.04694 -0.14079 112 4XZ -0.09555 0.00963 0.03628 0.07306 -0.23930 113 4YZ 0.15588 -0.18723 0.22822 -0.07244 -0.19939 114 12 O 1S -0.00640 0.00747 -0.00080 -0.00920 -0.00220 115 2S -0.07685 0.39199 -0.15197 -0.30747 0.02911 116 2PX -0.02542 0.02224 0.02998 -0.00793 -0.04478 117 2PY -0.04697 -0.21141 0.07001 0.07176 -0.03712 118 2PZ -0.04754 -0.02828 -0.05951 0.00740 -0.05577 119 3S 0.39526 -1.02295 0.41283 1.09010 0.01709 120 3PX 0.16007 -0.03396 -0.10327 0.05887 0.13802 121 3PY -0.07323 0.31342 -0.12169 -0.29622 0.05601 122 3PZ 0.04533 0.12021 0.16435 -0.01911 0.16122 123 4XX -0.03390 0.05692 -0.14271 -0.00164 -0.01636 124 4YY -0.07014 0.07201 -0.04273 -0.12021 -0.05036 125 4ZZ 0.07100 0.08264 0.12873 -0.00473 0.06750 126 4XY -0.11466 -0.06605 0.22912 -0.04694 -0.14084 127 4XZ -0.09550 -0.00955 0.03653 0.07331 0.23932 128 4YZ -0.15533 -0.18727 -0.22824 0.07225 -0.19920 129 13 C 1S -0.01643 0.00002 0.01130 -0.06777 0.00002 130 2S -0.27758 0.00005 -0.04364 -0.72091 0.00036 131 2PX 0.01191 -0.00002 0.03754 0.05021 -0.00008 132 2PY -0.00025 0.16669 -0.00001 0.00005 -0.02074 133 2PZ -0.01946 0.00001 -0.04922 -0.04354 0.00005 134 3S 1.15487 -0.00059 -0.41223 2.90657 -0.00078 135 3PX -0.08349 -0.00005 -0.03899 -0.79660 0.00048 136 3PY -0.00044 0.08538 -0.00005 -0.00019 0.15644 137 3PZ 0.11108 -0.00038 0.01501 0.65313 0.00000 138 4XX 0.10718 0.00004 -0.02833 0.16188 -0.00014 139 4YY -0.21506 -0.00005 0.07100 -0.32279 0.00021 140 4ZZ 0.17355 0.00003 -0.03844 0.17161 -0.00009 141 4XY 0.00044 0.00514 -0.00006 0.00022 0.08714 142 4XZ 0.12384 -0.00007 -0.12692 -0.07814 0.00012 143 4YZ -0.00084 0.27075 -0.00007 -0.00007 -0.02949 144 14 H 1S -0.20610 0.00006 0.10489 -0.24934 -0.00001 145 2S -0.03620 0.00006 0.01689 -0.00930 -0.00009 146 15 H 1S -0.20005 -0.00002 0.07181 -0.32386 0.00017 147 2S -0.10887 -0.00010 0.02967 0.07921 0.00001 148 16 C 1S 0.00513 -0.04551 -0.00296 0.01095 -0.01045 149 2S 0.24022 -0.39305 -0.10335 0.31452 -0.15170 150 2PX 0.03228 0.03863 -0.01761 -0.01504 -0.03242 151 2PY 0.08869 0.02503 -0.04117 0.03864 -0.07055 152 2PZ 0.02904 -0.05124 0.02257 0.00345 0.08034 153 3S -0.60558 1.50497 0.30653 -1.31504 0.74286 154 3PX -0.04776 -0.35928 0.06093 -0.10925 -0.01638 155 3PY -0.30070 1.16174 0.22182 -0.79322 0.01092 156 3PZ 0.08107 0.58922 -0.02451 0.20416 -0.18682 157 4XX 0.06137 0.10075 0.02700 0.00726 -0.04070 158 4YY 0.01298 -0.35098 0.02941 0.02721 0.27097 159 4ZZ -0.06641 0.20109 -0.05503 -0.06164 -0.19295 160 4XY 0.01783 0.10895 0.08147 -0.07814 -0.07448 161 4XZ 0.12352 -0.12268 -0.07211 0.13035 0.12749 162 4YZ 0.00250 0.03866 0.01166 -0.01964 -0.00215 163 17 H 1S 0.01857 0.33758 -0.00710 -0.04725 -0.26322 164 2S -0.03881 0.30792 0.06471 -0.11642 -0.02033 165 18 C 1S -0.00049 0.01118 0.00725 0.00882 0.00409 166 2S -0.01594 -0.06881 0.05073 0.17347 0.11880 167 2PX 0.03932 -0.02231 0.02731 0.05999 0.02200 168 2PY -0.03985 0.06860 0.02830 0.00651 -0.11911 169 2PZ -0.06551 0.17383 -0.02526 -0.13317 -0.10340 170 3S 0.15043 -1.42962 -0.10791 -0.02775 -0.31343 171 3PX -0.08990 -0.02192 -0.05806 -0.08180 -0.12130 172 3PY 0.03648 -0.28013 -0.11486 0.12732 0.00134 173 3PZ 0.01412 0.45454 0.17161 -0.06480 0.35929 174 4XX -0.03022 -0.00938 0.08949 0.07589 0.06393 175 4YY 0.09827 -0.02407 -0.01137 -0.05930 -0.03031 176 4ZZ -0.06635 -0.00305 -0.04714 0.01465 -0.00932 177 4XY 0.03950 0.10921 -0.02565 -0.04233 0.00667 178 4XZ 0.17187 -0.00234 -0.04386 0.31089 0.03835 179 4YZ -0.02995 0.17962 0.01691 0.05555 -0.16507 180 19 H 1S 0.00095 0.09824 -0.00600 0.15478 -0.10506 181 2S -0.04371 -0.09541 -0.08237 -0.00817 -0.03390 182 20 C 1S 0.00484 0.04550 -0.00297 0.01098 0.01045 183 2S 0.23833 0.39288 -0.10359 0.31494 0.15159 184 2PX 0.03267 -0.03862 -0.01761 -0.01500 0.03252 185 2PY -0.08927 0.02499 0.04117 -0.03872 -0.07053 186 2PZ 0.02843 0.05120 0.02262 0.00332 -0.08036 187 3S -0.59820 -1.50431 0.30740 -1.31676 -0.74241 188 3PX -0.05013 0.35897 0.06095 -0.10950 0.01608 189 3PY 0.29674 1.16167 -0.22222 0.79366 0.01072 190 3PZ 0.08402 -0.58871 -0.02438 0.20439 0.18650 191 4XX 0.06170 -0.10086 0.02713 0.00718 0.04069 192 4YY 0.01101 0.35110 0.02931 0.02712 -0.27110 193 4ZZ -0.06513 -0.20105 -0.05503 -0.06150 0.19309 194 4XY -0.01821 0.10849 -0.08150 0.07806 -0.07408 195 4XZ 0.12260 0.12268 -0.07212 0.13023 -0.12757 196 4YZ -0.00299 0.03890 -0.01173 0.01976 -0.00231 197 21 H 1S 0.01979 -0.33755 -0.00706 -0.04710 0.26322 198 2S -0.03793 -0.30783 0.06478 -0.11649 0.02030 199 22 C 1S -0.00047 -0.01118 0.00726 0.00881 -0.00411 200 2S -0.01697 0.06864 0.05079 0.17330 -0.11900 201 2PX 0.03915 0.02226 0.02733 0.05999 -0.02197 202 2PY 0.03943 0.06871 -0.02828 -0.00654 -0.11914 203 2PZ -0.06424 -0.17377 -0.02525 -0.13312 0.10353 204 3S 0.14633 1.42942 -0.10883 -0.02654 0.31379 205 3PX -0.08969 0.02193 -0.05826 -0.08161 0.12147 206 3PY -0.03688 -0.28018 0.11511 -0.12761 0.00155 207 3PZ 0.01505 -0.45460 0.17209 -0.06551 -0.35944 208 4XX -0.03049 0.00912 0.08948 0.07578 -0.06405 209 4YY 0.09812 0.02427 -0.01135 -0.05922 0.03036 210 4ZZ -0.06624 0.00312 -0.04715 0.01467 0.00934 211 4XY -0.04010 0.10914 0.02569 0.04240 0.00657 212 4XZ 0.17155 0.00244 -0.04383 0.31090 -0.03865 213 4YZ 0.02910 0.17958 -0.01692 -0.05550 -0.16494 214 23 H 1S 0.00129 -0.09819 -0.00603 0.15486 0.10482 215 2S -0.04338 0.09546 -0.08250 -0.00807 0.03399 166 167 168 169 170 V V V V V Eigenvalues -- 2.09860 2.10509 2.11488 2.13671 2.20205 1 1 C 1S 0.00399 -0.00251 0.00189 -0.00845 0.01063 2 2S 0.00119 -0.11706 -0.14703 -0.22826 -0.09612 3 2PX -0.00712 -0.04368 -0.01428 -0.07910 -0.07714 4 2PY 0.01605 0.01841 -0.09508 0.15282 0.01693 5 2PZ -0.01065 0.05068 0.02043 0.10706 0.05527 6 3S -0.20826 -0.04312 0.23552 0.67079 -0.80418 7 3PX -0.10085 0.09286 0.16722 0.11820 -0.09958 8 3PY -0.13219 -0.17397 0.27546 0.02197 0.29081 9 3PZ 0.18773 -0.06386 -0.14763 -0.48663 0.21894 10 4XX 0.02968 0.00532 -0.03656 -0.31141 0.07053 11 4YY 0.04046 0.01366 0.14600 0.12935 0.06343 12 4ZZ -0.06889 -0.01005 -0.11563 0.21825 -0.10797 13 4XY -0.04209 -0.00019 -0.01255 -0.09076 0.01445 14 4XZ 0.06722 -0.07118 0.05485 -0.08185 0.06331 15 4YZ 0.03932 0.01969 -0.06861 0.04506 -0.03927 16 2 C 1S 0.00340 -0.00407 0.00213 -0.00206 -0.01285 17 2S 0.04050 -0.01286 0.10493 -0.35683 -0.11315 18 2PX 0.05168 0.04281 -0.01189 -0.02943 -0.05201 19 2PY -0.02074 -0.05919 0.13381 -0.15661 -0.06533 20 2PZ -0.02892 -0.02317 0.00028 0.01970 -0.00370 21 3S -0.55434 -0.49403 0.17321 -0.33557 0.20695 22 3PX -0.18791 -0.05828 0.04185 0.37744 -0.54279 23 3PY 1.06029 0.60641 -1.04260 0.20408 0.71453 24 3PZ 0.14513 -0.00537 -0.22210 -0.03398 0.79447 25 4XX 0.01181 -0.04248 0.15667 -0.07511 0.03819 26 4YY -0.04802 0.00175 -0.12460 -0.02915 0.07021 27 4ZZ 0.06296 0.01597 -0.01732 0.11426 -0.12204 28 4XY -0.02240 -0.01722 -0.03792 0.07324 0.00101 29 4XZ 0.01815 -0.10696 -0.07524 -0.35490 -0.04686 30 4YZ -0.02466 0.01224 0.01350 0.03250 0.05572 31 3 C 1S -0.00504 0.00186 0.00282 -0.00663 0.01496 32 2S -0.07500 -0.06152 -0.36589 -0.40076 0.45412 33 2PX -0.05183 0.01229 0.03317 0.13722 -0.01563 34 2PY 0.03009 0.03779 -0.17294 0.12413 0.12822 35 2PZ -0.02621 -0.04093 -0.07992 -0.13216 0.04181 36 3S 0.23191 -0.30341 0.05453 0.83050 0.00171 37 3PX 0.27573 0.04026 -0.19395 -0.32906 -0.22470 38 3PY -0.32366 -0.33668 0.67641 0.46288 -0.74962 39 3PZ -0.18961 0.05612 0.58677 0.50817 -0.41206 40 4XX -0.10259 -0.05489 0.02376 0.10936 -0.11675 41 4YY 0.00377 0.03788 0.16798 0.09356 -0.06636 42 4ZZ 0.10866 0.02044 -0.15510 -0.14041 0.14106 43 4XY 0.03163 0.07610 -0.04168 0.17965 0.04048 44 4XZ 0.02953 0.03310 0.26557 -0.10349 -0.24885 45 4YZ 0.08968 0.02571 -0.11266 0.07609 0.05691 46 4 C 1S -0.00504 -0.00188 0.00283 0.00662 0.01472 47 2S -0.07521 0.06182 -0.36558 0.40056 0.44978 48 2PX -0.05179 -0.01253 0.03310 -0.13730 -0.01627 49 2PY -0.03020 0.03741 0.17303 0.12413 -0.12842 50 2PZ -0.02632 0.04097 -0.07985 0.13215 0.04160 51 3S 0.23147 0.30377 0.05322 -0.83000 0.02884 52 3PX 0.27544 -0.03865 -0.19305 0.32848 -0.22706 53 3PY 0.32457 -0.33461 -0.67655 0.46292 0.73895 54 3PZ -0.18934 -0.05786 0.58623 -0.50767 -0.40365 55 4XX -0.10272 0.05442 0.02362 -0.10953 -0.11473 56 4YY 0.00387 -0.03803 0.16794 -0.09336 -0.06624 57 4ZZ 0.10869 -0.01982 -0.15494 0.14039 0.13966 58 4XY -0.03190 0.07598 0.04146 0.17957 -0.04001 59 4XZ 0.02972 -0.03336 0.26541 0.10348 -0.24737 60 4YZ -0.08976 0.02519 0.11283 0.07621 -0.05706 61 5 C 1S 0.00339 0.00408 0.00212 0.00207 -0.01274 62 2S 0.04057 0.01285 0.10474 0.35686 -0.11011 63 2PX 0.05181 -0.04252 -0.01188 0.02951 -0.05182 64 2PY 0.02093 -0.05888 -0.13383 -0.15662 0.06442 65 2PZ -0.02899 0.02305 0.00030 -0.01969 -0.00348 66 3S -0.55612 0.49145 0.17468 0.33562 0.19559 67 3PX -0.18732 0.05747 0.04138 -0.37776 -0.54385 68 3PY -1.06192 0.60048 1.04237 0.20486 -0.69908 69 3PZ 0.14509 0.00591 -0.22224 0.03420 0.79198 70 4XX 0.01166 0.04232 0.15669 0.07491 0.03777 71 4YY -0.04797 -0.00177 -0.12451 0.02925 0.07044 72 4ZZ 0.06299 -0.01571 -0.01739 -0.11416 -0.12251 73 4XY 0.02253 -0.01716 0.03812 0.07326 -0.00086 74 4XZ 0.01787 0.10717 -0.07515 0.35491 -0.04655 75 4YZ 0.02464 0.01245 -0.01357 0.03272 -0.05577 76 6 C 1S 0.00398 0.00252 0.00190 0.00845 0.01055 77 2S 0.00085 0.11740 -0.14683 0.22824 -0.09722 78 2PX -0.00722 0.04370 -0.01430 0.07899 -0.07684 79 2PY -0.01608 0.01817 0.09509 0.15292 -0.01640 80 2PZ -0.01051 -0.05078 0.02040 -0.10708 0.05505 81 3S -0.20818 0.04232 0.23453 -0.67086 -0.78741 82 3PX -0.10061 -0.09342 0.16698 -0.11812 -0.09353 83 3PY 0.13259 -0.17270 -0.27494 0.02154 -0.29713 84 3PZ 0.18745 0.06480 -0.14715 0.48650 0.21355 85 4XX 0.02966 -0.00510 -0.03653 0.31143 0.07087 86 4YY 0.04053 -0.01386 0.14599 -0.12944 0.06296 87 4ZZ -0.06891 0.01006 -0.11569 -0.21818 -0.10767 88 4XY 0.04205 -0.00002 0.01237 -0.09046 -0.01537 89 4XZ 0.06703 0.07129 0.05480 0.08187 0.06347 90 4YZ -0.03932 0.01945 0.06866 0.04510 0.03897 91 7 H 1S 0.03381 -0.03069 0.05494 0.01698 0.05115 92 2S -0.08969 0.01917 0.08983 0.08731 0.02880 93 8 H 1S -0.18998 -0.00612 0.33537 0.09070 -0.22995 94 2S -0.10553 0.01156 0.25049 0.18611 -0.11806 95 9 H 1S -0.18998 0.00498 0.33530 -0.09056 -0.22890 96 2S -0.10542 -0.01238 0.25038 -0.18596 -0.11656 97 10 H 1S 0.03371 0.03066 0.05488 -0.01690 0.05162 98 2S -0.08961 -0.01974 0.08963 -0.08722 0.03086 99 11 O 1S -0.01779 -0.00833 0.00952 -0.00659 -0.00259 100 2S -0.29980 -0.20557 0.32595 -0.03741 -0.20024 101 2PX 0.00166 -0.01911 0.02078 0.03387 -0.04770 102 2PY 0.01342 -0.01644 0.10052 0.01825 -0.05231 103 2PZ -0.00749 -0.01478 0.01873 0.01686 0.02310 104 3S 1.29368 0.78013 -1.08745 0.28531 0.61287 105 3PX 0.10055 0.07183 -0.07987 -0.10274 0.19821 106 3PY 0.32560 0.20191 -0.28662 0.06421 0.13949 107 3PZ 0.04189 0.05633 -0.01924 -0.02582 -0.14602 108 4XX -0.03073 0.00588 -0.05508 0.00178 0.04119 109 4YY -0.10999 -0.06843 0.08727 0.02135 -0.08466 110 4ZZ 0.00087 -0.02086 0.11638 -0.05885 -0.01715 111 4XY 0.02453 -0.03833 -0.00481 -0.12430 0.17876 112 4XZ 0.05519 0.14873 -0.06131 0.24789 0.04901 113 4YZ 0.01271 0.02915 0.04553 -0.08791 -0.14656 114 12 O 1S -0.01782 0.00824 0.00952 0.00660 -0.00249 115 2S -0.30042 0.20381 0.32606 0.03766 -0.19821 116 2PX 0.00160 0.01912 0.02087 -0.03387 -0.04773 117 2PY -0.01336 -0.01630 -0.10050 0.01823 0.05248 118 2PZ -0.00754 0.01471 0.01874 -0.01683 0.02304 119 3S 1.29589 -0.77311 -1.08780 -0.28635 0.60309 120 3PX 0.10103 -0.07154 -0.08014 0.10263 0.19784 121 3PY -0.32612 0.20005 0.28670 0.06452 -0.13774 122 3PZ 0.04206 -0.05606 -0.01926 0.02568 -0.14597 123 4XX -0.03067 -0.00588 -0.05512 -0.00156 0.04089 124 4YY -0.11023 0.06780 0.08729 -0.02141 -0.08391 125 4ZZ 0.00081 0.02069 0.11640 0.05879 -0.01692 126 4XY -0.02432 -0.03840 0.00460 -0.12429 -0.17812 127 4XZ 0.05560 -0.14845 -0.06139 -0.24790 0.04846 128 4YZ -0.01277 0.02899 -0.04558 -0.08805 0.14631 129 13 C 1S -0.03548 -0.00004 -0.03440 -0.00001 0.03502 130 2S -0.15261 0.00028 -0.57400 -0.00012 -0.25947 131 2PX -0.10196 -0.00028 0.04553 0.00002 0.23853 132 2PY -0.00016 0.07978 0.00008 -0.01437 0.00048 133 2PZ 0.04478 0.00015 -0.06540 -0.00001 -0.14636 134 3S 1.13508 0.00042 1.97600 0.00045 -2.04780 135 3PX 0.50003 0.00147 -0.82856 -0.00022 -0.18644 136 3PY -0.00028 0.19987 -0.00023 -0.04211 0.00077 137 3PZ 1.32012 0.00163 0.80367 0.00010 -0.84307 138 4XX 0.20116 -0.00010 0.14273 0.00009 -0.10785 139 4YY 0.24881 0.00075 -0.14065 -0.00009 0.27196 140 4ZZ -0.49902 -0.00077 0.03064 0.00001 -0.09818 141 4XY -0.00088 0.49352 0.00061 -0.10601 0.00003 142 4XZ -0.11750 0.00006 -0.43542 -0.00001 -0.22074 143 4YZ -0.00059 0.35522 0.00022 -0.21785 0.00031 144 14 H 1S -0.40338 -0.00068 -0.01077 0.00001 0.38209 145 2S -0.32762 -0.00057 0.01415 0.00003 0.25858 146 15 H 1S 0.55051 0.00096 -0.07437 -0.00006 0.06893 147 2S 0.24343 0.00031 0.13371 0.00002 -0.11434 148 16 C 1S 0.01275 -0.03008 0.01585 0.01129 -0.02392 149 2S 0.00798 -0.50956 0.29981 -0.01863 -1.01797 150 2PX 0.00170 0.01462 -0.09880 0.00418 0.06632 151 2PY -0.06982 -0.18669 -0.01237 -0.02790 -0.23629 152 2PZ 0.09296 0.05286 0.07488 -0.02577 -0.04117 153 3S -0.44676 1.81473 -1.06856 -0.26982 2.44626 154 3PX -0.39716 0.02226 0.12943 0.04798 -0.08978 155 3PY -0.25152 1.03156 -0.73357 -0.16984 1.59102 156 3PZ -0.11927 0.61248 -0.07350 -0.13363 0.51674 157 4XX -0.14984 -0.05734 0.09051 -0.15741 0.19879 158 4YY 0.04017 0.22595 0.08923 0.02639 -0.03065 159 4ZZ 0.09339 -0.14505 -0.22812 0.12784 -0.00823 160 4XY -0.28123 0.21253 0.13779 -0.02291 0.26500 161 4XZ -0.04285 -0.08308 -0.04513 0.04859 -0.13072 162 4YZ -0.09939 0.35396 0.10928 -0.05492 0.02999 163 17 H 1S -0.07191 -0.16323 -0.11911 -0.02091 0.14461 164 2S -0.02743 0.34021 -0.15084 -0.05410 0.40234 165 18 C 1S 0.01298 0.01383 0.01451 -0.00299 0.02602 166 2S 0.34051 0.05654 0.51464 0.08294 0.13239 167 2PX 0.01595 0.01705 0.03236 -0.05159 0.00903 168 2PY 0.25039 -0.15689 0.10346 0.02652 0.12024 169 2PZ 0.01211 0.07380 -0.22066 -0.00218 0.02692 170 3S -0.02529 -1.91389 -0.06090 0.15358 -1.26481 171 3PX -0.04693 -0.38309 -0.03525 0.11480 -0.14264 172 3PY -0.44635 -0.59854 -0.17396 0.10543 -0.23974 173 3PZ 0.21749 0.97892 0.17069 -0.23365 0.66712 174 4XX 0.24727 -0.11659 0.23430 -0.14485 0.20060 175 4YY -0.39035 -0.09932 -0.18446 0.02696 -0.08784 176 4ZZ 0.20478 0.16679 -0.04945 0.08557 -0.02793 177 4XY 0.03502 0.21018 -0.06753 -0.21708 -0.11196 178 4XZ -0.08900 -0.01386 0.14132 -0.02300 0.01456 179 4YZ -0.17915 -0.16942 0.03792 -0.00976 0.25477 180 19 H 1S -0.20685 -0.27384 0.10163 0.03487 0.18584 181 2S -0.11455 -0.20755 -0.14000 0.11652 -0.21713 182 20 C 1S 0.01265 0.03010 0.01590 -0.01128 -0.02371 183 2S 0.00627 0.50920 0.30044 0.01881 -1.01531 184 2PX 0.00169 -0.01433 -0.09883 -0.00420 0.06627 185 2PY 0.07049 -0.18646 0.01200 -0.02793 0.23638 186 2PZ 0.09320 -0.05273 0.07484 0.02578 -0.04216 187 3S -0.44032 -1.81488 -1.07092 0.26929 2.43066 188 3PX -0.39722 -0.02452 0.12894 -0.04779 -0.08683 189 3PY 0.24772 1.03152 0.73520 -0.16954 -1.58451 190 3PZ -0.11707 -0.61264 -0.07437 0.13358 0.51430 191 4XX -0.15037 0.05640 0.09071 0.15751 0.19759 192 4YY 0.04137 -0.22586 0.08884 -0.02637 -0.03085 193 4ZZ 0.09281 0.14589 -0.22791 -0.12796 -0.00740 194 4XY 0.28041 0.21397 -0.13733 -0.02284 -0.26478 195 4XZ -0.04305 0.08285 -0.04483 -0.04856 -0.13257 196 4YZ 0.09814 0.35442 -0.10856 -0.05498 -0.03067 197 21 H 1S -0.07264 0.16307 -0.11887 0.02088 0.14438 198 2S -0.02617 -0.34001 -0.15145 0.05402 0.40120 199 22 C 1S 0.01303 -0.01382 0.01449 0.00299 0.02585 200 2S 0.34085 -0.05629 0.51470 -0.08277 0.12895 201 2PX 0.01617 -0.01694 0.03240 0.05159 0.00887 202 2PY -0.24978 -0.15759 -0.10369 0.02657 -0.12024 203 2PZ 0.01225 -0.07341 -0.22085 0.00208 0.02786 204 3S -0.03218 1.91427 -0.05847 -0.15359 -1.24534 205 3PX -0.04862 0.38330 -0.03498 -0.11484 -0.13957 206 3PY 0.44834 -0.59681 0.17323 0.10528 0.23321 207 3PZ 0.22128 -0.97867 0.16942 0.23371 0.65716 208 4XX 0.24689 0.11676 0.23437 0.14510 0.20002 209 4YY -0.39079 0.09854 -0.18416 -0.02717 -0.08792 210 4ZZ 0.20542 -0.16597 -0.04973 -0.08562 -0.02725 211 4XY -0.03527 0.20992 0.06832 -0.21694 0.11196 212 4XZ -0.08912 0.01345 0.14150 0.02300 0.01334 213 4YZ 0.17965 -0.16863 -0.03808 -0.00974 -0.25540 214 23 H 1S -0.20785 0.27287 0.10206 -0.03482 0.18617 215 2S -0.11534 0.20738 -0.13977 -0.11655 -0.21431 171 172 173 174 175 V V V V V Eigenvalues -- 2.20450 2.21754 2.24202 2.27769 2.28225 1 1 C 1S -0.01415 -0.01135 -0.01153 -0.00086 -0.00466 2 2S -0.17451 -0.07754 -0.08548 -0.07245 -0.23005 3 2PX 0.04951 -0.02209 -0.01965 0.00763 -0.07908 4 2PY -0.12602 -0.12892 -0.03243 -0.01870 0.07532 5 2PZ -0.04833 -0.06294 -0.05359 0.04562 0.01897 6 3S 2.68487 0.37947 0.44494 -0.18747 1.72363 7 3PX 0.91085 -0.05842 0.06891 -0.01248 0.52538 8 3PY 0.89333 -0.27180 -0.22830 0.06205 0.85358 9 3PZ -0.87726 -0.25955 -0.11863 0.09937 -0.71385 10 4XX 0.03068 -0.14006 -0.13977 0.11019 -0.06625 11 4YY -0.09485 -0.08845 0.02222 0.08275 0.08005 12 4ZZ 0.08207 0.20248 0.11810 -0.20312 0.06547 13 4XY 0.12456 -0.23728 0.00319 -0.09284 -0.24418 14 4XZ 0.00306 -0.10834 -0.06067 -0.02785 0.04505 15 4YZ -0.00371 -0.37897 0.15730 -0.07291 -0.10693 16 2 C 1S 0.01490 -0.00889 0.00222 0.00226 0.00921 17 2S 0.51320 0.01880 0.01632 0.03578 -0.06335 18 2PX 0.04684 -0.00687 0.08973 0.03325 -0.07127 19 2PY 0.14563 0.00926 -0.02461 -0.02215 -0.04736 20 2PZ 0.02813 -0.05338 -0.10315 0.00054 -0.01659 21 3S -1.72542 0.42254 -0.27887 -0.19799 -1.08043 22 3PX -0.14349 0.51882 0.38240 -0.21278 -0.16912 23 3PY -2.44964 0.22933 0.42951 0.42364 -1.28214 24 3PZ -0.54785 -0.63092 -0.32428 0.29003 0.07715 25 4XX -0.12809 -0.31020 -0.27443 0.39400 -0.05895 26 4YY 0.06957 0.14749 -0.01511 -0.02534 -0.04289 27 4ZZ -0.05606 0.14053 0.30061 -0.36604 0.10366 28 4XY -0.01851 0.07982 0.08718 -0.07080 -0.00147 29 4XZ 0.06989 0.08454 0.04107 0.00142 -0.16425 30 4YZ -0.00170 -0.01222 -0.06681 0.03054 0.00087 31 3 C 1S -0.03927 0.00056 0.01279 -0.00029 -0.04026 32 2S -0.67675 0.00653 0.17982 0.18581 -0.73566 33 2PX -0.13024 -0.06006 0.06069 -0.03271 0.01143 34 2PY 0.01323 -0.00941 0.07920 0.06202 0.09610 35 2PZ -0.01617 0.02943 0.01304 0.01587 -0.12221 36 3S 4.17869 -0.58248 -0.50256 0.08019 3.50958 37 3PX -0.00073 1.10428 0.17954 -0.01447 -0.55744 38 3PY 1.67997 -0.03061 -0.07117 -0.23880 1.22484 39 3PZ 1.20446 -0.61971 -0.20033 -0.19662 1.26007 40 4XX 0.24818 -0.36350 -0.17422 0.19818 0.12626 41 4YY 0.01042 -0.00146 -0.02710 -0.10407 0.07763 42 4ZZ -0.14227 0.37610 0.19503 -0.11734 -0.08536 43 4XY -0.02532 0.19620 -0.13152 0.12329 -0.21405 44 4XZ 0.26403 0.07039 0.09117 0.03059 0.03344 45 4YZ 0.03720 0.08900 0.01368 0.14286 -0.28432 46 4 C 1S 0.03934 -0.00054 0.01278 -0.00003 0.04024 47 2S 0.67946 -0.00690 0.17950 0.19123 0.73440 48 2PX 0.13006 0.06022 0.06072 -0.03279 -0.01132 49 2PY 0.01254 -0.00936 -0.07912 -0.06162 0.09646 50 2PZ 0.01644 -0.02949 0.01299 0.01684 0.12213 51 3S -4.17753 0.58138 -0.50206 0.05666 -3.50869 52 3PX -0.00179 -1.10376 0.18037 -0.01026 0.55651 53 3PY 1.68517 -0.03234 0.07157 0.24442 1.22474 54 3PZ -1.20657 0.61997 -0.20049 -0.20536 -1.25845 55 4XX -0.24883 0.36332 -0.17478 0.19778 -0.12770 56 4YY -0.01090 0.00165 -0.02708 -0.10425 -0.07704 57 4ZZ 0.14313 -0.37602 0.19557 -0.11756 0.08633 58 4XY -0.02596 0.19676 0.13133 -0.12474 -0.21338 59 4XZ -0.26572 -0.06990 0.09110 0.03099 -0.03387 60 4YZ 0.03656 0.08918 -0.01360 -0.14494 -0.28331 61 5 C 1S -0.01497 0.00890 0.00221 0.00221 -0.00925 62 2S -0.51378 -0.01880 0.01629 0.03635 0.06289 63 2PX -0.04731 0.00700 0.08965 0.03385 0.07090 64 2PY 0.14599 0.00926 0.02466 0.02185 -0.04744 65 2PZ -0.02811 0.05328 -0.10319 0.00069 0.01667 66 3S 1.72614 -0.42284 -0.27863 -0.19117 1.08232 67 3PX 0.14099 -0.51751 0.38273 -0.20923 0.17008 68 3PY -2.45389 0.22941 -0.42931 -0.43160 -1.27963 69 3PZ 0.55349 0.62908 -0.32449 0.28742 -0.07745 70 4XX 0.12854 0.30967 -0.27466 0.39456 0.05591 71 4YY -0.06912 -0.14747 -0.01515 -0.02487 0.04316 72 4ZZ 0.05506 -0.13997 0.30085 -0.36708 -0.10092 73 4XY -0.01828 0.08005 -0.08755 0.07141 -0.00195 74 4XZ -0.07014 -0.08446 0.04096 0.00276 0.16419 75 4YZ -0.00216 -0.01205 0.06691 -0.03069 0.00105 76 6 C 1S 0.01423 0.01131 -0.01154 -0.00084 0.00471 77 2S 0.17397 0.07752 -0.08544 -0.07146 0.23081 78 2PX -0.04989 0.02226 -0.01971 0.00818 0.07887 79 2PY -0.12617 -0.12884 0.03235 0.01974 0.07505 80 2PZ 0.04870 0.06279 -0.05366 0.04555 -0.01923 81 3S -2.69051 -0.37757 0.44525 -0.19723 -1.72437 82 3PX -0.91213 0.05888 0.06865 -0.01497 -0.52633 83 3PY 0.89051 -0.27099 0.22814 -0.05491 0.85302 84 3PZ 0.87884 0.25902 -0.11885 0.10318 0.71378 85 4XX -0.03024 0.14004 -0.13999 0.11087 0.06589 86 4YY 0.09541 0.08816 0.02233 0.08174 -0.08106 87 4ZZ -0.08291 -0.20220 0.11821 -0.20337 -0.06396 88 4XY 0.12439 -0.23720 -0.00293 0.09061 -0.24490 89 4XZ -0.00257 0.10838 -0.06053 -0.02859 -0.04450 90 4YZ -0.00335 -0.37916 -0.15699 0.07201 -0.10735 91 7 H 1S 0.03774 -0.14762 -0.00223 0.00472 0.14196 92 2S 0.31986 0.01122 -0.02047 -0.00992 0.26890 93 8 H 1S 0.11168 -0.26527 -0.08070 -0.04853 0.15775 94 2S 0.17881 -0.25924 -0.03966 -0.10179 0.29125 95 9 H 1S -0.11326 0.26563 -0.08108 -0.04906 -0.15772 96 2S -0.17955 0.25932 -0.03986 -0.10359 -0.29060 97 10 H 1S -0.03736 0.14754 -0.00221 0.00337 -0.14192 98 2S -0.31966 -0.01128 -0.02041 -0.01163 -0.26884 99 11 O 1S 0.01491 -0.00023 -0.00545 -0.00480 0.00876 100 2S 0.28875 -0.09971 -0.11892 -0.10633 0.18972 101 2PX 0.00294 0.01571 0.02580 -0.00147 0.01072 102 2PY -0.05657 -0.09405 -0.00300 0.00744 0.02745 103 2PZ -0.02166 -0.06279 -0.02206 0.02312 0.01888 104 3S -1.48712 0.14802 0.51509 0.47360 -0.79336 105 3PX -0.09292 -0.10616 -0.08185 0.06531 -0.04335 106 3PY -0.23047 0.05793 0.13348 0.11841 -0.15836 107 3PZ 0.05228 0.21474 0.12105 -0.07720 -0.07869 108 4XX -0.08161 0.03931 0.12361 -0.17792 0.02491 109 4YY 0.14811 -0.01621 -0.03797 -0.03773 0.05718 110 4ZZ 0.02111 -0.08722 -0.12789 0.18627 0.00632 111 4XY -0.10426 -0.07249 -0.11094 0.05918 -0.03182 112 4XZ -0.07668 0.01199 0.02297 -0.00232 0.04446 113 4YZ 0.08675 0.21852 0.13247 -0.10712 -0.02924 114 12 O 1S -0.01492 0.00023 -0.00545 -0.00485 -0.00873 115 2S -0.29004 0.09986 -0.11894 -0.10758 -0.18909 116 2PX -0.00322 -0.01556 0.02580 -0.00148 -0.01079 117 2PY -0.05622 -0.09412 0.00306 -0.00721 0.02755 118 2PZ 0.02183 0.06271 -0.02211 0.02297 -0.01898 119 3S 1.49105 -0.14839 0.51507 0.47859 0.79034 120 3PX 0.09451 0.10572 -0.08173 0.06516 0.04335 121 3PY -0.23132 0.05810 -0.13353 -0.11943 -0.15754 122 3PZ -0.05333 -0.21430 0.12120 -0.07634 0.07889 123 4XX 0.08185 -0.03905 0.12360 -0.17831 -0.02348 124 4YY -0.14878 0.01619 -0.03785 -0.03808 -0.05699 125 4ZZ -0.02108 0.08703 -0.12801 0.18642 -0.00778 126 4XY -0.10534 -0.07217 0.11099 -0.05890 -0.03164 127 4XZ 0.07693 -0.01215 0.02316 -0.00287 -0.04437 128 4YZ 0.08784 0.21814 -0.13257 0.10660 -0.02982 129 13 C 1S 0.00009 -0.00003 -0.02354 -0.03307 0.00012 130 2S -0.00072 -0.00009 -0.19829 0.24501 -0.00098 131 2PX 0.00071 -0.00006 0.02145 -0.13327 0.00056 132 2PY -0.14251 -0.04414 0.00003 -0.00028 -0.08622 133 2PZ -0.00043 0.00007 0.06830 0.11342 -0.00046 134 3S -0.00570 0.00164 1.13172 0.86748 -0.00337 135 3PX -0.00035 -0.00028 -0.51074 -0.09390 0.00045 136 3PY -0.23762 -0.02362 -0.00011 -0.00079 -0.20889 137 3PZ -0.00243 0.00049 0.12987 0.19993 -0.00099 138 4XX -0.00033 0.00019 0.22119 -0.03005 -0.00009 139 4YY 0.00070 -0.00020 -0.10393 -0.12613 0.00061 140 4ZZ -0.00020 0.00002 -0.08488 0.04344 -0.00009 141 4XY -0.06414 -0.07605 0.00011 0.00063 0.18757 142 4XZ -0.00045 0.00003 -0.11953 -0.00026 0.00011 143 4YZ -0.13102 -0.03850 -0.00003 0.00020 0.06536 144 14 H 1S 0.00104 -0.00020 -0.09268 -0.05398 0.00023 145 2S 0.00072 -0.00004 0.18189 0.01362 -0.00001 146 15 H 1S 0.00011 -0.00008 -0.03312 -0.08451 0.00023 147 2S -0.00030 0.00001 -0.14293 0.02543 -0.00013 148 16 C 1S 0.03522 0.01240 0.01521 0.00819 0.05404 149 2S 0.43081 0.16796 0.06311 0.15334 0.74615 150 2PX 0.01954 -0.00149 0.00674 0.01313 -0.09797 151 2PY -0.02124 0.02223 -0.03370 0.04546 0.11227 152 2PZ -0.18825 -0.02516 -0.04141 -0.04420 0.06157 153 3S -2.65452 -0.50050 -0.76832 -0.69290 -1.70027 154 3PX 0.38309 0.11392 -0.17343 -0.30158 0.31016 155 3PY -1.12590 -0.10975 -0.39528 -0.62518 -0.91279 156 3PZ -0.31652 0.09417 -0.02204 -0.09855 -0.36128 157 4XX -0.28564 0.00968 0.32768 0.21879 0.28762 158 4YY 0.05003 -0.02511 0.00660 -0.06357 -0.08430 159 4ZZ 0.14188 0.00163 -0.32084 -0.18079 -0.23417 160 4XY -0.01879 -0.05282 -0.15553 -0.33214 -0.00775 161 4XZ -0.29987 -0.04977 -0.25638 -0.14934 -0.17306 162 4YZ 0.11071 0.00372 0.14279 0.06863 -0.03908 163 17 H 1S -0.07059 0.05057 -0.06995 -0.09683 0.04343 164 2S -0.18070 -0.01981 -0.02828 -0.13375 -0.25123 165 18 C 1S -0.03119 -0.00351 -0.00995 -0.01422 0.01157 166 2S -0.62615 -0.07522 -0.05217 -0.15610 0.33032 167 2PX -0.03420 0.03022 0.06365 0.03546 0.03275 168 2PY 0.00146 0.01813 -0.08127 -0.10433 -0.02829 169 2PZ 0.16958 0.00760 -0.05242 0.01367 -0.15370 170 3S 3.44156 0.32934 0.28270 0.35373 0.04645 171 3PX 0.47695 -0.06312 0.13583 0.19942 0.26299 172 3PY 1.13075 0.02017 0.08127 0.24681 -0.39416 173 3PZ -1.73375 -0.05771 -0.16899 -0.32814 0.04186 174 4XX -0.11035 0.01975 0.03184 -0.01694 0.24369 175 4YY -0.04003 0.00523 0.08648 0.09694 -0.03679 176 4ZZ 0.15718 -0.01946 -0.14592 -0.11230 -0.23046 177 4XY 0.02293 0.06495 -0.15058 -0.09057 0.16422 178 4XZ -0.21379 -0.02578 -0.26663 -0.25829 -0.27090 179 4YZ 0.09432 0.06669 0.09188 0.00566 0.05869 180 19 H 1S 0.03882 -0.01633 0.05104 0.02235 -0.02062 181 2S 0.48520 -0.02410 0.03801 0.14618 -0.08718 182 20 C 1S -0.03537 -0.01236 0.01525 0.00785 -0.05411 183 2S -0.43663 -0.16680 0.06357 0.14872 -0.74763 184 2PX -0.01908 0.00137 0.00666 0.01375 0.09788 185 2PY -0.01999 0.02203 0.03367 -0.04477 0.11273 186 2PZ 0.18799 0.02521 -0.04140 -0.04462 -0.06129 187 3S 2.66867 0.49717 -0.76928 -0.68252 1.70637 188 3PX -0.38323 -0.11365 -0.17337 -0.30382 -0.30771 189 3PY -1.13535 -0.10790 0.39539 0.61990 -0.91837 190 3PZ 0.31935 -0.09473 -0.02177 -0.09648 0.36226 191 4XX 0.28684 -0.00967 0.32758 0.21658 -0.28907 192 4YY -0.05029 0.02515 0.00671 -0.06268 0.08489 193 4ZZ -0.14189 -0.00184 -0.32089 -0.17931 0.23528 194 4XY -0.01992 -0.05261 0.15581 0.33225 -0.01037 195 4XZ 0.29907 0.04974 -0.25623 -0.14801 0.17401 196 4YZ 0.11080 0.00368 -0.14288 -0.06897 -0.03851 197 21 H 1S 0.07144 -0.05074 -0.06986 -0.09729 -0.04267 198 2S 0.18303 0.01940 -0.02828 -0.13233 0.25248 199 22 C 1S 0.03134 0.00348 -0.00994 -0.01429 -0.01145 200 2S 0.62671 0.07514 -0.05205 -0.15822 -0.32915 201 2PX 0.03427 -0.03020 0.06365 0.03512 -0.03294 202 2PY 0.00089 0.01827 0.08131 0.10421 -0.02909 203 2PZ -0.16939 -0.00770 -0.05249 0.01463 0.15357 204 3S -3.44890 -0.32785 0.28247 0.35446 -0.04980 205 3PX -0.47838 0.06329 0.13559 0.19800 -0.26419 206 3PY 1.13131 0.01999 -0.08078 -0.24967 -0.39251 207 3PZ 1.73776 0.05695 -0.16882 -0.32913 -0.03910 208 4XX 0.11153 -0.01998 0.03169 -0.01867 -0.24354 209 4YY 0.03964 -0.00505 0.08665 0.09723 0.03630 210 4ZZ -0.15744 0.01943 -0.14593 -0.11071 0.23108 211 4XY 0.02361 0.06492 0.15062 0.09187 0.16342 212 4XZ 0.21377 0.02568 -0.26646 -0.25636 0.27260 213 4YZ 0.09304 0.06687 -0.09203 -0.00522 0.05869 214 23 H 1S -0.03770 0.01620 0.05102 0.02257 0.02059 215 2S -0.48641 0.02432 0.03783 0.14695 0.08598 176 177 178 179 180 V V V V V Eigenvalues -- 2.30756 2.32018 2.34415 2.36828 2.40390 1 1 C 1S 0.00944 0.05374 -0.00550 -0.00880 0.00620 2 2S 0.36330 0.38731 0.04852 0.03638 0.24926 3 2PX 0.02969 -0.03468 0.02428 0.04175 0.06540 4 2PY 0.23740 0.20922 -0.02547 -0.02433 0.08546 5 2PZ -0.05138 0.05371 -0.04840 -0.00704 -0.00524 6 3S -0.76129 -2.03165 0.80530 0.15667 -0.82309 7 3PX -0.44075 -0.50285 0.20507 0.03556 -0.40322 8 3PY 1.00776 0.54189 0.32849 -0.02790 0.51551 9 3PZ 0.58353 0.61695 -0.32180 -0.06983 0.65857 10 4XX -0.10354 0.14367 0.00225 0.00077 -0.17868 11 4YY 0.26901 -0.19021 -0.02022 -0.00437 0.12210 12 4ZZ -0.14208 0.12726 -0.00503 -0.03519 0.04336 13 4XY -0.17386 0.17665 -0.15610 -0.03237 0.34106 14 4XZ 0.26441 0.33966 0.02633 -0.05826 0.11796 15 4YZ -0.00864 -0.19857 -0.14988 0.00140 0.27613 16 2 C 1S 0.00055 -0.00273 0.01127 0.00894 -0.00669 17 2S 0.18344 0.02961 0.31683 0.09156 -0.10081 18 2PX -0.05411 -0.16855 -0.00225 0.02568 -0.02227 19 2PY 0.05738 -0.00148 0.07667 -0.01768 0.05106 20 2PZ 0.02556 0.17223 0.02445 0.01356 0.01342 21 3S -0.45425 -0.20413 -0.99200 -0.28425 0.44427 22 3PX -1.52087 -1.75662 -0.25648 0.00980 -0.82860 23 3PY -0.23281 0.04119 -0.95879 -0.14710 0.15135 24 3PZ 1.29076 1.68133 -0.09775 -0.05681 0.75161 25 4XX -0.12980 -0.17504 -0.10639 0.07739 -0.13705 26 4YY -0.02490 0.02112 -0.01799 -0.00419 0.01093 27 4ZZ 0.08784 0.13009 0.04439 -0.07934 0.13684 28 4XY 0.10413 -0.11672 -0.06284 -0.04943 0.14130 29 4XZ -0.02291 -0.02050 0.06067 0.07190 0.07170 30 4YZ -0.08085 0.16520 -0.05178 -0.04903 0.03151 31 3 C 1S -0.00397 -0.04894 -0.03485 -0.01438 -0.03090 32 2S -0.41080 -0.49269 -0.24141 0.09629 -0.51337 33 2PX -0.01505 -0.04813 -0.05851 0.00601 -0.02634 34 2PY -0.17063 -0.18688 0.03396 0.00430 -0.08508 35 2PZ -0.06460 0.02150 0.01333 0.03304 0.00033 36 3S 1.31120 2.27303 2.01757 0.11917 1.70839 37 3PX -0.74086 -0.58537 -0.07868 -0.01157 0.42639 38 3PY -1.03621 -0.58978 0.48356 -0.01908 -0.34236 39 3PZ 0.61027 0.70843 0.51885 0.03633 0.23602 40 4XX -0.01198 -0.06132 -0.03072 0.07180 0.00276 41 4YY -0.25661 0.14285 0.03312 -0.08353 -0.14849 42 4ZZ 0.30834 -0.08887 -0.01340 -0.06516 0.18261 43 4XY -0.20327 0.24830 -0.19811 0.01119 0.22341 44 4XZ -0.19798 -0.17409 0.02803 0.00625 -0.00824 45 4YZ -0.10058 -0.25595 -0.20060 0.00134 0.28386 46 4 C 1S 0.00406 -0.04896 0.03483 -0.01438 0.03089 47 2S 0.41133 -0.49262 0.24130 0.09667 0.51334 48 2PX 0.01530 -0.04822 0.05849 0.00599 0.02634 49 2PY -0.17087 0.18649 0.03398 -0.00435 -0.08500 50 2PZ 0.06450 0.02153 -0.01332 0.03311 -0.00030 51 3S -1.31537 2.27450 -2.01672 0.11790 -1.70819 52 3PX 0.74284 -0.58544 0.07843 -0.01154 -0.42624 53 3PY -1.03706 0.58603 0.48412 0.01970 -0.34257 54 3PZ -0.61130 0.70869 -0.51860 0.03579 -0.23596 55 4XX 0.01182 -0.06074 0.03085 0.07168 -0.00300 56 4YY 0.25637 0.14304 -0.03330 -0.08344 0.14869 57 4ZZ -0.30786 -0.08959 0.01343 -0.06522 -0.18258 58 4XY -0.20268 -0.24845 -0.19811 -0.01110 0.22334 59 4XZ 0.19833 -0.17384 -0.02795 0.00613 0.00802 60 4YZ -0.10057 0.25601 -0.20059 -0.00140 0.28402 61 5 C 1S -0.00056 -0.00272 -0.01128 0.00894 0.00672 62 2S -0.18354 0.02953 -0.31681 0.09156 0.10087 63 2PX 0.05433 -0.16848 0.00216 0.02568 0.02226 64 2PY 0.05737 0.00144 0.07665 0.01767 0.05114 65 2PZ -0.02587 0.17219 -0.02439 0.01356 -0.01347 66 3S 0.45501 -0.20511 0.99199 -0.28388 -0.44503 67 3PX 1.52451 -1.75416 0.25640 0.00967 0.82860 68 3PY -0.23138 -0.04101 -0.95906 0.14669 0.15238 69 3PZ -1.29411 1.67893 0.09843 -0.05665 -0.75169 70 4XX 0.12914 -0.17508 0.10635 0.07738 0.13683 71 4YY 0.02502 0.02128 0.01792 -0.00414 -0.01070 72 4ZZ -0.08729 0.13002 -0.04431 -0.07936 -0.13680 73 4XY 0.10387 0.11680 -0.06272 0.04954 0.14141 74 4XZ 0.02293 -0.02051 -0.06071 0.07198 -0.07148 75 4YZ -0.08048 -0.16528 -0.05189 0.04907 0.03155 76 6 C 1S -0.00953 0.05371 0.00552 -0.00880 -0.00622 77 2S -0.36381 0.38646 -0.04834 0.03646 -0.24941 78 2PX -0.02983 -0.03463 -0.02429 0.04175 -0.06542 79 2PY 0.23767 -0.20889 -0.02560 0.02441 0.08555 80 2PZ 0.05121 0.05379 0.04843 -0.00705 0.00517 81 3S 0.76500 -2.02806 -0.80628 0.15598 0.82364 82 3PX 0.44085 -0.50094 -0.20556 0.03530 0.40309 83 3PY 1.00920 -0.54142 0.32815 0.02815 0.51576 84 3PZ -0.58463 0.61495 0.32216 -0.06956 -0.65882 85 4XX 0.10328 0.14404 -0.00199 0.00078 0.17817 86 4YY -0.26904 -0.19083 0.01996 -0.00440 -0.12162 87 4ZZ 0.14224 0.12756 0.00505 -0.03521 -0.04335 88 4XY -0.17345 -0.17648 -0.15622 0.03237 0.34138 89 4XZ -0.26490 0.33913 -0.02608 -0.05828 -0.11825 90 4YZ -0.00933 0.19886 -0.14980 -0.00140 0.27591 91 7 H 1S 0.22896 0.05798 0.04167 -0.01297 0.04054 92 2S -0.03396 -0.06346 0.09597 0.01237 -0.07904 93 8 H 1S -0.19829 0.06097 0.00307 -0.00278 -0.31877 94 2S 0.01324 0.01972 0.05075 0.03374 -0.14507 95 9 H 1S 0.19818 0.06160 -0.00318 -0.00287 0.31879 96 2S -0.01312 0.02005 -0.05076 0.03361 0.14505 97 10 H 1S -0.22907 0.05777 -0.04166 -0.01302 -0.04049 98 2S 0.03404 -0.06306 -0.09601 0.01227 0.07911 99 11 O 1S 0.00118 -0.00057 0.00562 0.00344 -0.00594 100 2S 0.01007 -0.03531 0.09958 0.00904 -0.01082 101 2PX -0.05541 -0.07444 -0.01494 -0.00911 -0.01941 102 2PY -0.00269 -0.01719 0.00403 0.00572 -0.00992 103 2PZ 0.02359 0.07546 -0.01096 -0.00577 0.01765 104 3S -0.08703 0.07348 -0.48390 -0.06051 0.04716 105 3PX 0.35917 0.41799 0.02263 -0.00383 0.19979 106 3PY -0.01285 0.01857 -0.06585 -0.01157 0.00684 107 3PZ -0.24614 -0.39637 0.01113 0.00208 -0.13012 108 4XX 0.12884 0.09109 0.01633 -0.01251 0.03702 109 4YY -0.02972 -0.02877 0.04606 -0.00071 0.00616 110 4ZZ -0.09225 -0.07797 -0.01711 0.04270 -0.09648 111 4XY 0.34980 0.26363 -0.02949 -0.03920 0.20441 112 4XZ 0.02065 -0.00170 -0.02625 -0.02515 -0.00281 113 4YZ -0.21940 -0.23354 0.00880 -0.04307 -0.03554 114 12 O 1S -0.00117 -0.00056 -0.00562 0.00344 0.00594 115 2S -0.00994 -0.03512 -0.09968 0.00902 0.01083 116 2PX 0.05554 -0.07436 0.01490 -0.00910 0.01941 117 2PY -0.00267 0.01712 0.00404 -0.00574 -0.00988 118 2PZ -0.02377 0.07544 0.01098 -0.00577 -0.01767 119 3S 0.08655 0.07263 0.48430 -0.06032 -0.04727 120 3PX -0.35999 0.41733 -0.02238 -0.00383 -0.19983 121 3PY -0.01298 -0.01814 -0.06596 0.01154 0.00670 122 3PZ 0.24698 -0.39602 -0.01124 0.00208 0.13014 123 4XX -0.12910 0.09123 -0.01624 -0.01257 -0.03725 124 4YY 0.03025 -0.02896 -0.04613 -0.00066 -0.00591 125 4ZZ 0.09202 -0.07783 0.01706 0.04270 0.09645 126 4XY 0.35026 -0.26282 -0.02955 0.03919 0.20441 127 4XZ -0.02046 -0.00189 0.02629 -0.02521 0.00277 128 4YZ -0.22002 0.23324 0.00889 0.04305 -0.03553 129 13 C 1S 0.00006 -0.03828 -0.00001 0.00707 0.00001 130 2S 0.00001 -0.17227 0.00003 0.07688 -0.00001 131 2PX 0.00013 -0.06352 0.00000 -0.00180 0.00007 132 2PY 0.02722 0.00003 -0.04454 -0.00007 -0.10523 133 2PZ -0.00012 0.05719 0.00004 0.08060 -0.00005 134 3S -0.00227 1.95245 0.00042 -0.04840 -0.00036 135 3PX 0.00053 -0.49009 0.00002 -0.01291 0.00025 136 3PY -0.05965 -0.00020 -0.26409 0.00005 -0.36475 137 3PZ -0.00072 0.67146 0.00007 0.06065 -0.00012 138 4XX -0.00010 0.17552 0.00012 0.87409 -0.00010 139 4YY 0.00017 -0.12532 -0.00001 -0.12440 0.00009 140 4ZZ 0.00004 -0.07257 -0.00013 -0.74742 0.00003 141 4XY -0.05746 -0.00002 0.26310 0.00037 0.19857 142 4XZ 0.00003 -0.02510 0.00004 0.00074 0.00010 143 4YZ -0.08243 -0.00006 0.07942 0.00005 0.07862 144 14 H 1S 0.00022 -0.19875 -0.00018 -0.41028 -0.00003 145 2S -0.00003 0.02021 0.00005 0.15241 0.00000 146 15 H 1S 0.00009 -0.03943 0.00007 0.48680 -0.00001 147 2S -0.00018 0.15539 -0.00005 -0.17512 0.00004 148 16 C 1S -0.01039 0.02136 0.02426 0.00720 0.05014 149 2S -0.27511 0.36923 0.34645 0.12701 0.62389 150 2PX 0.05898 -0.00010 -0.03713 0.01947 -0.04693 151 2PY -0.09739 0.07455 0.02839 0.01061 0.10153 152 2PZ -0.06990 0.01229 -0.01600 -0.01156 -0.04093 153 3S 0.15923 -1.43812 -1.24699 -0.60166 -1.75952 154 3PX -0.04850 -0.07690 0.35528 0.19609 0.26711 155 3PY 0.29862 -1.01184 -0.41344 -0.12133 -0.93963 156 3PZ 0.16226 -0.08276 0.07104 -0.13811 0.03697 157 4XX -0.24814 0.07585 0.02894 0.14734 0.27156 158 4YY 0.14043 0.02601 -0.16941 -0.21527 -0.14182 159 4ZZ 0.11659 -0.16231 0.08198 0.03121 -0.18903 160 4XY -0.05939 -0.09695 0.23756 0.31341 0.06124 161 4XZ -0.05066 -0.03263 0.02899 0.04687 -0.15094 162 4YZ 0.03334 0.04999 0.14841 0.14095 0.02213 163 17 H 1S -0.05606 -0.09155 0.13631 0.14889 0.09225 164 2S 0.14862 -0.23772 -0.08477 -0.04620 -0.25905 165 18 C 1S -0.01184 -0.00717 0.00693 -0.01305 -0.00219 166 2S -0.31591 -0.00024 -0.21960 -0.30854 0.12790 167 2PX 0.01493 0.05709 -0.03077 -0.01994 0.01215 168 2PY 0.00443 -0.06428 -0.00639 -0.08526 -0.01586 169 2PZ 0.11125 -0.08401 0.02642 0.07599 -0.10786 170 3S 0.62367 0.49828 0.71978 0.55327 0.62767 171 3PX -0.03875 0.04074 -0.34305 0.00764 0.03681 172 3PY 0.29814 0.11984 0.03563 0.06604 0.06376 173 3PZ -0.22408 -0.21391 -0.54669 -0.37220 -0.24242 174 4XX -0.11281 -0.03214 0.01338 -0.23607 0.07839 175 4YY 0.01233 0.04155 -0.07476 0.12236 -0.03936 176 4ZZ 0.12740 -0.01751 0.11973 0.12617 -0.06906 177 4XY 0.09265 -0.01579 -0.60301 0.01791 -0.22676 178 4XZ -0.03368 -0.10174 0.22448 0.05054 -0.15823 179 4YZ 0.05032 -0.05548 -0.13012 -0.02825 -0.02312 180 19 H 1S -0.05367 -0.05033 0.07415 -0.07005 0.00948 181 2S 0.08919 0.04335 0.01789 0.11851 0.00414 182 20 C 1S 0.01035 0.02142 -0.02426 0.00718 -0.05016 183 2S 0.27435 0.37019 -0.34612 0.12659 -0.62401 184 2PX -0.05895 -0.00025 0.03714 0.01950 0.04691 185 2PY -0.09727 -0.07473 0.02834 -0.01054 0.10153 186 2PZ 0.06991 0.01240 0.01597 -0.01156 0.04096 187 3S -0.15608 -1.43985 1.24610 -0.60061 1.76031 188 3PX 0.04894 -0.07706 -0.35498 0.19575 -0.26657 189 3PY 0.29629 1.01295 -0.41315 0.12052 -0.94021 190 3PZ -0.16201 -0.08318 -0.07114 -0.13766 -0.03710 191 4XX 0.24781 0.07622 -0.02908 0.14768 -0.27172 192 4YY -0.14043 0.02589 0.16955 -0.21570 0.14203 193 4ZZ -0.11611 -0.16263 -0.08207 0.03134 0.18899 194 4XY -0.05975 0.09693 0.23742 -0.31329 0.06083 195 4XZ 0.05084 -0.03268 -0.02918 0.04700 0.15086 196 4YZ 0.03354 -0.04992 0.14837 -0.14104 0.02219 197 21 H 1S 0.05632 -0.09149 -0.13636 0.14917 -0.09228 198 2S -0.14810 -0.23806 0.08470 -0.04595 0.25914 199 22 C 1S 0.01186 -0.00714 -0.00694 -0.01304 0.00220 200 2S 0.31601 0.00033 0.21939 -0.30860 -0.12779 201 2PX -0.01506 0.05702 0.03083 -0.02003 -0.01215 202 2PY 0.00422 0.06437 -0.00628 0.08521 -0.01594 203 2PZ -0.11113 -0.08425 -0.02642 0.07609 0.10785 204 3S -0.62472 0.49789 -0.71932 0.55209 -0.62805 205 3PX 0.03821 0.04090 0.34305 0.00740 -0.03685 206 3PY 0.29864 -0.11915 0.03558 -0.06560 0.06381 207 3PZ 0.22482 -0.21389 0.54641 -0.37189 0.24268 208 4XX 0.11277 -0.03184 -0.01282 -0.23610 -0.07803 209 4YY -0.01240 0.04148 0.07426 0.12230 0.03910 210 4ZZ -0.12721 -0.01778 -0.11977 0.12625 0.06895 211 4XY 0.09259 0.01620 -0.60301 -0.01790 -0.22687 212 4XZ 0.03415 -0.10191 -0.22459 0.05071 0.15822 213 4YZ 0.05030 0.05558 -0.13017 0.02828 -0.02309 214 23 H 1S 0.05369 -0.05026 -0.07418 -0.06997 -0.00942 215 2S -0.08945 0.04321 -0.01781 0.11838 -0.00423 181 182 183 184 185 V V V V V Eigenvalues -- 2.45222 2.47129 2.50715 2.57245 2.57979 1 1 C 1S 0.00212 -0.00380 0.04033 0.05056 -0.01707 2 2S 0.10000 0.00657 0.14974 0.14282 -0.16924 3 2PX 0.01985 -0.01628 -0.09527 -0.01726 0.03264 4 2PY 0.02914 -0.00981 0.17189 -0.16773 -0.06087 5 2PZ -0.00130 0.00588 0.11532 0.01507 0.02513 6 3S 0.05935 -0.85847 -1.03703 -1.84312 1.18051 7 3PX -0.07439 -0.21074 -0.45338 -0.34250 0.50682 8 3PY -0.12521 -0.48042 -0.05787 -0.72494 -0.11015 9 3PZ 0.03723 0.22142 0.50641 0.42447 -0.60680 10 4XX -0.01161 0.10027 0.06364 0.11941 -0.08724 11 4YY -0.03397 -0.03262 -0.01788 -0.31763 -0.07225 12 4ZZ 0.01752 -0.10376 -0.01574 0.17731 0.14913 13 4XY 0.02047 -0.12272 0.11139 -0.14472 0.30428 14 4XZ 0.03423 -0.10574 0.30072 0.32956 -0.10832 15 4YZ -0.01641 -0.08664 -0.12413 0.19318 0.22241 16 2 C 1S -0.01104 0.00829 -0.10792 -0.00707 0.01681 17 2S 0.03295 0.07625 -0.43953 0.10148 0.17655 18 2PX -0.01131 0.08111 0.02494 0.00138 0.05920 19 2PY 0.01936 -0.06572 0.13914 0.04424 -0.01417 20 2PZ 0.01645 -0.02726 -0.02046 -0.04522 0.00270 21 3S 0.14567 0.24862 2.80299 -0.05438 -0.61364 22 3PX 0.17366 0.06484 0.42902 -0.33006 0.56561 23 3PY 0.03165 1.12301 1.38512 -0.06260 -0.43587 24 3PZ -0.20934 0.18190 -0.16183 0.15582 -0.57136 25 4XX -0.03712 0.15412 -0.15247 -0.05768 -0.29246 26 4YY -0.00386 -0.02745 0.19743 -0.07027 -0.01193 27 4ZZ -0.00159 -0.11271 -0.18685 0.08946 0.29616 28 4XY 0.03145 -0.09007 0.15195 -0.05286 -0.11483 29 4XZ -0.05096 0.06986 -0.60487 -0.00644 0.05100 30 4YZ 0.02538 -0.04315 0.15599 0.35104 -0.15850 31 3 C 1S 0.00764 0.04014 0.04595 -0.05721 -0.00263 32 2S 0.09343 0.64916 0.26039 -0.19493 0.27896 33 2PX 0.08377 -0.01852 0.11284 -0.02967 -0.00682 34 2PY -0.00748 -0.04160 0.20896 0.21442 0.04672 35 2PZ -0.00023 0.09569 -0.09321 -0.01324 0.06205 36 3S -0.36132 -3.09653 -1.69828 2.17311 -0.28756 37 3PX -0.05467 -0.05826 0.72285 -0.34271 0.04907 38 3PY 0.15609 -1.30780 0.15684 1.01614 0.33898 39 3PZ 0.07314 -1.15814 -0.67193 0.49478 -0.30891 40 4XX -0.05500 -0.08032 0.01873 -0.22991 -0.24659 41 4YY 0.01841 -0.01776 -0.04725 0.45230 0.09397 42 4ZZ 0.04293 -0.00491 0.03399 -0.18285 0.07639 43 4XY -0.02389 0.02626 -0.17808 -0.23763 -0.25501 44 4XZ 0.06910 -0.15589 0.35813 -0.21047 -0.04141 45 4YZ -0.00656 0.02054 0.16677 0.27320 -0.28896 46 4 C 1S 0.00768 -0.04015 0.04596 0.05720 0.00262 47 2S 0.09385 -0.64935 0.26045 0.19493 -0.27914 48 2PX 0.08381 0.01855 0.11298 0.02952 0.00682 49 2PY 0.00759 -0.04151 -0.20884 0.21445 0.04664 50 2PZ -0.00019 -0.09571 -0.09322 0.01330 -0.06209 51 3S -0.36363 3.09696 -1.69861 -2.17280 0.28825 52 3PX -0.05450 0.05892 0.72295 0.34218 -0.04948 53 3PY -0.15547 -1.30796 -0.15602 1.01651 0.33906 54 3PZ 0.07254 1.15815 -0.67187 -0.49457 0.30927 55 4XX -0.05502 0.08034 0.01852 0.23015 0.24700 56 4YY 0.01834 0.01785 -0.04712 -0.45263 -0.09435 57 4ZZ 0.04299 0.00482 0.03403 0.18292 -0.07635 58 4XY 0.02380 0.02625 0.17815 -0.23725 -0.25474 59 4XZ 0.06910 0.15589 0.35826 0.21021 0.04140 60 4YZ 0.00664 0.02070 -0.16642 0.27319 -0.28902 61 5 C 1S -0.01104 -0.00830 -0.10792 0.00708 -0.01676 62 2S 0.03288 -0.07626 -0.43946 -0.10139 -0.17629 63 2PX -0.01126 -0.08109 0.02503 -0.00143 -0.05929 64 2PY -0.01932 -0.06580 -0.13912 0.04425 -0.01416 65 2PZ 0.01643 0.02730 -0.02043 0.04519 -0.00270 66 3S 0.14614 -0.24842 2.80292 0.05397 0.61294 67 3PX 0.17402 -0.06598 0.42991 0.32998 -0.56567 68 3PY -0.03216 1.12286 -1.38487 -0.06223 -0.43583 69 3PZ -0.20945 -0.18158 -0.16179 -0.15580 0.57131 70 4XX -0.03700 -0.15397 -0.15214 0.05778 0.29291 71 4YY -0.00390 0.02730 0.19723 0.07016 0.01124 72 4ZZ -0.00166 0.11271 -0.18705 -0.08944 -0.29584 73 4XY -0.03148 -0.09021 -0.15221 -0.05298 -0.11469 74 4XZ -0.05096 -0.06990 -0.60476 0.00632 -0.05090 75 4YZ -0.02538 -0.04329 -0.15642 0.35093 -0.15873 76 6 C 1S 0.00212 0.00382 0.04034 -0.05057 0.01708 77 2S 0.09997 -0.00645 0.14981 -0.14283 0.16917 78 2PX 0.01985 0.01629 -0.09516 0.01738 -0.03264 79 2PY -0.02914 -0.00987 -0.17196 -0.16768 -0.06098 80 2PZ -0.00129 -0.00584 0.11529 -0.01510 -0.02508 81 3S 0.05908 0.85796 -1.03730 1.84323 -1.18030 82 3PX -0.07456 0.21090 -0.45355 0.34307 -0.50662 83 3PY 0.12546 -0.48034 0.05765 -0.72472 -0.11046 84 3PZ 0.03725 -0.22126 0.50647 -0.42456 0.60671 85 4XX -0.01157 -0.10009 0.06385 -0.11927 0.08697 86 4YY -0.03398 0.03242 -0.01803 0.31745 0.07245 87 4ZZ 0.01748 0.10380 -0.01583 -0.17731 -0.14898 88 4XY -0.02039 -0.12287 -0.11110 -0.14503 0.30419 89 4XZ 0.03413 0.10587 0.30062 -0.32973 0.10803 90 4YZ 0.01648 -0.08649 0.12454 0.19297 0.22263 91 7 H 1S -0.02238 -0.06608 0.01888 0.21584 -0.05100 92 2S -0.04912 -0.10140 -0.13869 -0.26734 0.15129 93 8 H 1S 0.07107 -0.06108 -0.01372 -0.17768 0.04514 94 2S 0.07836 -0.30177 -0.09135 0.29956 -0.07800 95 9 H 1S 0.07112 0.06116 -0.01369 0.17759 -0.04524 96 2S 0.07824 0.30178 -0.09136 -0.29955 0.07810 97 10 H 1S -0.02243 0.06608 0.01888 -0.21583 0.05085 98 2S -0.04915 0.10136 -0.13874 0.26736 -0.15121 99 11 O 1S 0.00204 -0.00348 0.00991 0.00062 0.00072 100 2S -0.00899 -0.15346 -0.26551 0.00266 0.07310 101 2PX 0.00304 0.00246 -0.00771 -0.02383 0.01051 102 2PY -0.01061 0.02149 -0.12286 0.00846 0.02725 103 2PZ -0.00825 0.00256 -0.02583 0.01993 -0.01389 104 3S -0.01792 0.78877 0.44053 -0.02579 -0.19179 105 3PX -0.02868 0.01937 -0.03110 0.10779 -0.17545 106 3PY -0.00195 0.14256 0.11352 -0.01817 -0.03447 107 3PZ 0.05738 -0.01208 0.10379 0.05410 0.06550 108 4XX 0.01122 0.00598 -0.04100 0.02981 0.07435 109 4YY -0.00570 -0.07501 0.07977 -0.05086 0.02966 110 4ZZ 0.00522 0.06358 -0.01932 0.03024 -0.08845 111 4XY -0.00173 -0.04056 0.00184 -0.00161 -0.21477 112 4XZ 0.00972 -0.00593 0.12504 0.03854 -0.03824 113 4YZ 0.04962 -0.06646 0.08575 0.30452 -0.03151 114 12 O 1S 0.00204 0.00348 0.00991 -0.00062 -0.00072 115 2S -0.00906 0.15347 -0.26552 -0.00265 -0.07269 116 2PX 0.00304 -0.00249 -0.00781 0.02383 -0.01050 117 2PY 0.01061 0.02148 0.12286 0.00848 0.02699 118 2PZ -0.00826 -0.00254 -0.02584 -0.01992 0.01390 119 3S -0.01759 -0.78873 0.44056 0.02580 0.19115 120 3PX -0.02875 -0.01937 -0.03098 -0.10772 0.17561 121 3PY 0.00188 0.14254 -0.11355 -0.01825 -0.03399 122 3PZ 0.05742 0.01200 0.10381 -0.05407 -0.06542 123 4XX 0.01121 -0.00594 -0.04104 -0.02980 -0.07391 124 4YY -0.00572 0.07495 0.07976 0.05080 -0.03011 125 4ZZ 0.00525 -0.06358 -0.01926 -0.03021 0.08860 126 4XY 0.00179 -0.04072 -0.00197 -0.00180 -0.21503 127 4XZ 0.00977 0.00598 0.12511 -0.03876 0.03838 128 4YZ -0.04958 -0.06644 -0.08563 0.30438 -0.03168 129 13 C 1S -0.09300 0.00000 0.02145 0.00001 -0.00001 130 2S -0.26104 0.00004 0.10774 0.00007 -0.00001 131 2PX -0.17863 -0.00006 0.01191 0.00003 -0.00001 132 2PY -0.00010 0.16116 0.00002 -0.09765 -0.06678 133 2PZ 0.22703 0.00001 -0.01379 -0.00002 0.00001 134 3S 2.99334 -0.00011 -0.69738 -0.00030 0.00046 135 3PX -1.23267 0.00001 0.34293 0.00024 -0.00002 136 3PY -0.00057 0.06984 0.00014 -0.24737 -0.15344 137 3PZ 0.77286 0.00002 -0.28446 -0.00011 0.00015 138 4XX -0.35526 0.00004 0.12684 -0.00003 -0.00006 139 4YY 0.36115 -0.00006 -0.11001 0.00012 0.00008 140 4ZZ -0.08900 0.00001 -0.00438 -0.00009 -0.00005 141 4XY -0.00021 0.02460 0.00008 0.13864 0.07918 142 4XZ -0.69387 0.00005 0.05804 0.00015 0.00005 143 4YZ -0.00018 -0.14616 0.00003 -0.21837 -0.09731 144 14 H 1S 0.27200 -0.00002 -0.05676 -0.00003 -0.00003 145 2S 0.07532 -0.00001 -0.03814 -0.00002 -0.00002 146 15 H 1S -0.08050 -0.00001 0.06608 0.00005 0.00000 147 2S -0.02636 0.00004 -0.18615 -0.00002 0.00003 148 16 C 1S 0.07114 -0.04523 -0.01197 0.02195 0.02470 149 2S 0.15889 -1.02803 0.03218 -0.05497 -0.08139 150 2PX -0.09331 0.04166 -0.01069 0.01042 0.02879 151 2PY -0.16749 -0.20690 0.01479 -0.06437 -0.08422 152 2PZ 0.01456 -0.02589 -0.01040 -0.00360 -0.13864 153 3S -2.47899 2.20284 0.35667 -0.31517 -1.24092 154 3PX -0.08104 -0.75179 0.07645 -0.08842 -0.02629 155 3PY -1.12794 1.27748 0.29921 -0.21259 -0.39184 156 3PZ -0.16196 0.32183 0.01904 0.04416 -0.46603 157 4XX 0.36833 0.14198 -0.04018 0.03806 0.16776 158 4YY -0.34051 0.12014 -0.05296 -0.04160 -0.02800 159 4ZZ 0.04000 -0.08706 0.06736 0.03221 -0.08665 160 4XY -0.23367 -0.24246 0.05390 -0.08103 -0.05808 161 4XZ 0.42815 -0.31654 -0.07928 0.07365 0.15625 162 4YZ 0.06987 -0.01053 -0.05190 0.05933 -0.09968 163 17 H 1S 0.15593 -0.06597 0.04660 -0.00734 0.05135 164 2S -0.20351 0.40240 0.09890 -0.03783 -0.05438 165 18 C 1S -0.02722 -0.01245 0.00170 0.01084 -0.06497 166 2S -0.15837 -0.19577 -0.11635 -0.07736 -0.22423 167 2PX 0.01563 0.00497 -0.00564 0.02388 0.01172 168 2PY -0.10138 0.00170 -0.02978 -0.11536 0.16612 169 2PZ -0.08991 0.11541 0.06468 -0.01076 -0.04504 170 3S 1.04467 -0.75382 -0.10910 -0.09851 2.73389 171 3PX 0.08071 -0.01174 -0.00300 -0.01696 0.32037 172 3PY 0.08688 0.07146 0.10881 -0.14872 0.90861 173 3PZ -0.59454 0.45080 -0.02328 0.01437 -1.05931 174 4XX -0.28202 0.01915 -0.01662 0.07195 -0.44027 175 4YY 0.01375 0.04047 0.04824 -0.19600 0.31605 176 4ZZ 0.25186 -0.05151 -0.00788 0.13819 0.12185 177 4XY 0.03423 -0.34048 -0.01787 0.02352 0.05037 178 4XZ -0.00497 -0.44986 0.00678 -0.05317 -0.16739 179 4YZ 0.00282 -0.15140 -0.04849 0.04318 -0.00309 180 19 H 1S -0.08615 -0.11049 -0.00144 -0.02805 -0.10018 181 2S 0.12740 -0.00208 0.06443 -0.03471 0.33008 182 20 C 1S 0.07112 0.04523 -0.01198 -0.02195 -0.02468 183 2S 0.15858 1.02808 0.03212 0.05494 0.08157 184 2PX -0.09340 -0.04152 -0.01068 -0.01035 -0.02873 185 2PY 0.16749 -0.20702 -0.01478 -0.06439 -0.08430 186 2PZ 0.01456 0.02588 -0.01039 0.00355 0.13860 187 3S -2.47825 -2.20277 0.35667 0.31539 1.24015 188 3PX -0.08191 0.75117 0.07665 0.08862 0.02657 189 3PY 1.12752 1.27827 -0.29914 -0.21275 -0.39140 190 3PZ -0.16180 -0.32163 0.01898 -0.04419 0.46585 191 4XX 0.36797 -0.14176 -0.04019 -0.03799 -0.16770 192 4YY -0.34016 -0.12044 -0.05302 0.04155 0.02805 193 4ZZ 0.04004 0.08712 0.06743 -0.03222 0.08650 194 4XY 0.23412 -0.24262 -0.05388 -0.08116 -0.05814 195 4XZ 0.42841 0.31643 -0.07932 -0.07373 -0.15612 196 4YZ -0.06966 -0.01035 0.05177 0.05930 -0.09979 197 21 H 1S 0.15584 0.06598 0.04657 0.00736 -0.05139 198 2S -0.20337 -0.40260 0.09886 0.03788 0.05421 199 22 C 1S -0.02723 0.01245 0.00170 -0.01084 0.06496 200 2S -0.15842 0.19579 -0.11655 0.07725 0.22420 201 2PX 0.01555 -0.00500 -0.00566 -0.02380 -0.01180 202 2PY 0.10141 0.00167 0.02979 -0.11537 0.16614 203 2PZ -0.08987 -0.11536 0.06473 0.01076 0.04502 204 3S 1.04469 0.75388 -0.10868 0.09856 -2.73355 205 3PX 0.08075 0.01163 -0.00303 0.01702 -0.32087 206 3PY -0.08680 0.07154 -0.10896 -0.14868 0.90818 207 3PZ -0.59457 -0.45080 -0.02348 -0.01440 1.05924 208 4XX -0.28214 -0.01875 -0.01659 -0.07197 0.44018 209 4YY 0.01375 -0.04081 0.04819 0.19605 -0.31601 210 4ZZ 0.25198 0.05144 -0.00783 -0.13816 -0.12180 211 4XY -0.03463 -0.34058 0.01789 0.02332 0.05087 212 4XZ -0.00483 0.44996 0.00681 0.05315 0.16736 213 4YZ -0.00285 -0.15103 0.04853 0.04325 -0.00304 214 23 H 1S -0.08620 0.11044 -0.00143 0.02806 0.10017 215 2S 0.12745 0.00210 0.06446 0.03468 -0.33002 186 187 188 189 190 V V V V V Eigenvalues -- 2.59741 2.62873 2.62885 2.63411 2.65580 1 1 C 1S 0.00294 -0.02248 -0.02062 -0.00903 -0.01129 2 2S 0.05114 -0.34781 0.05763 0.02817 0.04100 3 2PX 0.02097 -0.02116 0.06572 0.02483 0.03402 4 2PY -0.01894 -0.08406 -0.15113 -0.09111 -0.06380 5 2PZ -0.00827 0.02150 -0.10457 -0.04190 -0.04594 6 3S -0.27051 1.26215 0.10756 0.60065 0.23240 7 3PX -0.09300 0.68377 -0.01861 0.25889 -0.01535 8 3PY 0.09143 -0.32201 -0.00828 -0.12358 -0.10800 9 3PZ 0.07893 -0.73504 0.01974 -0.39474 0.00380 10 4XX 0.04897 -0.08518 -0.18442 -0.02868 -0.09632 11 4YY 0.03656 -0.13417 0.16816 -0.15070 0.07841 12 4ZZ -0.10534 0.24738 -0.10710 0.09220 -0.05811 13 4XY -0.03487 0.16131 -0.12366 -0.19795 -0.05239 14 4XZ 0.07320 -0.22843 0.07716 -0.06589 0.03504 15 4YZ 0.03604 0.20981 0.18715 -0.02127 0.06879 16 2 C 1S -0.01315 0.03279 -0.00852 0.02244 -0.01453 17 2S -0.14183 0.02850 -0.14393 0.21510 -0.06267 18 2PX 0.09885 -0.00631 -0.00045 -0.05307 -0.00387 19 2PY 0.01442 -0.14454 0.00512 -0.00573 0.01708 20 2PZ 0.09065 -0.09551 -0.02745 -0.04055 -0.00819 21 3S 0.21987 -0.86084 -0.39372 -0.96052 0.19490 22 3PX 0.05234 0.54973 0.04780 -0.04606 0.30348 23 3PY 0.15691 -0.09617 0.36598 -0.86239 0.17101 24 3PZ 0.27550 -0.61065 0.00142 -0.32763 -0.32127 25 4XX -0.18909 -0.04976 -0.23461 0.12715 -0.07400 26 4YY 0.30928 -0.13585 0.44419 -0.14825 0.18888 27 4ZZ -0.12430 0.26698 -0.24356 -0.03043 -0.16070 28 4XY -0.42675 0.22724 0.16184 0.20074 0.12650 29 4XZ -0.08087 0.14702 0.37021 0.16046 0.12644 30 4YZ -0.44030 0.13717 0.10664 0.25590 0.09808 31 3 C 1S -0.00111 0.03656 -0.00764 -0.01349 -0.00241 32 2S -0.00067 0.33734 0.13829 -0.17834 0.14601 33 2PX 0.01295 -0.03817 -0.09557 -0.05174 -0.02279 34 2PY -0.00731 -0.06656 -0.13842 -0.06138 -0.06276 35 2PZ 0.01400 -0.00564 0.07381 0.01511 0.04790 36 3S 0.06156 -1.89448 -0.13029 1.28062 -0.50243 37 3PX 0.01504 -0.22898 0.03645 -0.21808 0.16269 38 3PY -0.09285 -0.42478 -0.02991 0.47733 0.26024 39 3PZ -0.04712 -0.22954 -0.12059 0.43601 -0.16900 40 4XX -0.13478 0.03648 -0.07099 0.21498 -0.00806 41 4YY 0.03996 -0.14600 0.17072 -0.10266 0.05177 42 4ZZ 0.08725 0.05399 -0.20002 -0.09051 -0.13252 43 4XY 0.02334 -0.10739 0.14695 0.00193 0.06554 44 4XZ 0.04834 -0.08636 0.07296 -0.07966 0.09654 45 4YZ -0.03673 -0.26274 -0.13546 0.02173 -0.02065 46 4 C 1S -0.00107 -0.03600 -0.00995 0.01349 -0.00244 47 2S -0.00058 -0.34566 0.11651 0.17824 0.14575 48 2PX 0.01300 0.04429 -0.09293 0.05185 -0.02280 49 2PY 0.00733 -0.07532 0.13369 -0.06149 0.06265 50 2PZ 0.01394 0.00086 0.07397 -0.01519 0.04789 51 3S 0.05985 1.89956 -0.01047 -1.28067 -0.50131 52 3PX 0.01542 0.22611 0.05160 0.21785 0.16342 53 3PY 0.09326 -0.42558 0.00344 0.47739 -0.26079 54 3PZ -0.04757 0.23695 -0.10634 -0.43580 -0.16904 55 4XX -0.13466 -0.03174 -0.07316 -0.21490 -0.00799 56 4YY 0.03988 0.13464 0.17976 0.10245 0.05189 57 4ZZ 0.08726 -0.04096 -0.20310 0.09073 -0.13263 58 4XY -0.02360 -0.09783 -0.15395 0.00187 -0.06562 59 4XZ 0.04853 0.08153 0.07846 0.07955 0.09666 60 4YZ 0.03660 -0.27081 0.11811 0.02160 0.02041 61 5 C 1S -0.01319 -0.03216 -0.01068 -0.02242 -0.01459 62 2S -0.14209 -0.01917 -0.14599 -0.21475 -0.06291 63 2PX 0.09886 0.00642 0.00000 0.05305 -0.00388 64 2PY -0.01441 -0.14389 -0.01449 -0.00567 -0.01728 65 2PZ 0.09066 0.09712 -0.02118 0.04053 -0.00814 66 3S 0.22131 0.88413 -0.33486 0.96062 0.19680 67 3PX 0.05254 -0.55190 0.01237 0.04671 0.30337 68 3PY -0.15769 -0.07254 -0.37338 -0.86175 -0.17128 69 3PZ 0.27563 0.60964 0.04159 0.32727 -0.32082 70 4XX -0.18950 0.06451 -0.23082 -0.12710 -0.07381 71 4YY 0.30990 0.10716 0.45209 0.14792 0.18883 72 4ZZ -0.12449 -0.25065 -0.26036 0.03070 -0.16091 73 4XY 0.42617 0.23727 -0.14733 0.20046 -0.12667 74 4XZ -0.08139 -0.17064 0.35976 -0.16102 0.12634 75 4YZ 0.44030 0.14372 -0.09719 0.25571 -0.09807 76 6 C 1S 0.00293 0.02376 -0.01909 0.00904 -0.01126 77 2S 0.05121 0.34341 0.08008 -0.02831 0.04144 78 2PX 0.02092 0.01694 0.06679 -0.02485 0.03399 79 2PY 0.01874 -0.09363 0.14528 -0.09125 0.06375 80 2PZ -0.00826 -0.01472 -0.10568 0.04200 -0.04594 81 3S -0.27077 -1.26665 0.02361 -0.60036 0.23031 82 3PX -0.09325 -0.68094 -0.06360 -0.25862 -0.01638 83 3PY -0.09187 -0.32248 -0.01254 -0.12373 0.10804 84 3PZ 0.07930 0.73221 0.06832 0.39457 0.00475 85 4XX 0.04885 0.09674 -0.17870 0.02908 -0.09638 86 4YY 0.03694 0.12317 0.17689 0.15029 0.07858 87 4ZZ -0.10553 -0.23992 -0.12298 -0.09206 -0.05826 88 4XY 0.03488 0.15296 0.13330 -0.19819 0.05239 89 4XZ 0.07328 0.22283 0.09209 0.06576 0.03541 90 4YZ -0.03579 0.22162 -0.17310 -0.02102 -0.06862 91 7 H 1S 0.06913 -0.07026 0.12862 0.03878 0.03420 92 2S -0.03146 0.16303 -0.09303 0.02802 -0.06583 93 8 H 1S -0.01027 0.14832 0.12244 0.02658 0.10039 94 2S -0.05169 0.03578 -0.08424 0.08214 -0.06862 95 9 H 1S -0.01025 -0.15593 0.11258 -0.02673 0.10026 96 2S -0.05173 -0.03022 -0.08648 -0.08201 -0.06862 97 10 H 1S 0.06908 0.06183 0.13285 -0.03894 0.03429 98 2S -0.03146 -0.15667 -0.10358 -0.02788 -0.06611 99 11 O 1S -0.00300 -0.00138 -0.00455 0.00238 0.00383 100 2S -0.11968 0.07733 -0.47754 0.13049 -0.21571 101 2PX -0.00665 0.02517 -0.03173 -0.00920 -0.01452 102 2PY -0.06650 0.03566 -0.26124 0.01327 -0.12411 103 2PZ -0.00574 -0.00749 -0.01943 -0.00653 -0.01702 104 3S 0.23305 -0.01530 0.91643 -0.48353 0.29891 105 3PX -0.19437 -0.04708 0.08293 0.10198 0.00830 106 3PY 0.15896 -0.07565 0.40339 -0.12735 0.14406 107 3PZ -0.22249 0.19451 0.06714 0.15403 0.10871 108 4XX -0.15184 0.13940 -0.08423 0.03592 -0.02178 109 4YY 0.22479 -0.15613 0.00899 -0.09935 -0.00675 110 4ZZ -0.12819 0.01771 -0.08788 0.07646 -0.00099 111 4XY -0.43154 0.10964 0.10312 0.21949 0.06390 112 4XZ -0.11463 0.05567 -0.07698 0.04859 -0.02574 113 4YZ -0.44242 0.22431 0.09804 0.27448 0.10759 114 12 O 1S -0.00300 0.00166 -0.00446 -0.00236 0.00384 115 2S -0.11981 -0.04626 -0.48187 -0.12994 -0.21583 116 2PX -0.00669 -0.02308 -0.03348 0.00922 -0.01463 117 2PY 0.06653 0.01867 0.26305 0.01299 0.12416 118 2PZ -0.00574 0.00875 -0.01889 0.00654 -0.01701 119 3S 0.23340 -0.04397 0.91656 0.48239 0.29898 120 3PX -0.19423 0.04167 0.08610 -0.10190 0.00846 121 3PY -0.15919 -0.04941 -0.40763 -0.12692 -0.14413 122 3PZ -0.22253 -0.19856 0.05426 -0.15394 0.10861 123 4XX -0.15243 -0.13385 -0.09298 -0.03602 -0.02182 124 4YY 0.22538 0.15541 0.01903 0.09950 -0.00668 125 4ZZ -0.12820 -0.01206 -0.08892 -0.07630 -0.00101 126 4XY 0.43110 0.11586 -0.09584 0.21932 -0.06392 127 4XZ -0.11496 -0.05080 -0.08038 -0.04866 -0.02568 128 4YZ 0.44245 0.23025 -0.08317 0.27433 -0.10758 129 13 C 1S 0.00024 0.00046 -0.01423 0.00001 0.04085 130 2S -0.12789 -0.00178 0.05495 0.00002 0.17646 131 2PX 0.03129 0.00106 -0.03522 0.00000 0.04510 132 2PY -0.00003 0.26371 0.00845 0.06618 0.00008 133 2PZ -0.00412 -0.00078 0.02494 -0.00002 -0.05759 134 3S 0.25516 0.00261 -0.08990 -0.00004 -0.77152 135 3PX -0.15760 -0.00091 0.02065 -0.00004 0.36864 136 3PY -0.00016 0.48200 0.01560 0.39169 0.00015 137 3PZ 0.00577 -0.00087 0.02262 0.00004 -0.12343 138 4XX -0.03142 0.00126 -0.03480 0.00015 0.00764 139 4YY 0.02370 0.00003 -0.00981 -0.00014 0.15510 140 4ZZ 0.05899 -0.00028 0.01363 -0.00001 -0.17378 141 4XY 0.00001 -0.20443 -0.00662 -0.22561 -0.00008 142 4XZ -0.01893 0.00348 -0.11315 -0.00002 0.30802 143 4YZ -0.00001 0.10541 0.00349 0.37752 0.00007 144 14 H 1S 0.02748 -0.00073 0.02428 -0.00004 -0.02862 145 2S 0.02922 0.00019 -0.00412 -0.00003 -0.04073 146 15 H 1S -0.05556 -0.00004 -0.00128 0.00004 0.13640 147 2S -0.02478 -0.00237 0.07405 -0.00006 -0.09780 148 16 C 1S 0.00724 -0.07643 -0.01898 -0.00163 0.02204 149 2S 0.04062 -0.66324 -0.13392 0.15646 -0.00416 150 2PX -0.00335 -0.00595 -0.02778 0.07174 0.08781 151 2PY -0.02151 -0.02279 0.01332 0.08189 -0.02480 152 2PZ -0.02407 0.21923 0.15869 -0.15601 -0.28975 153 3S -0.27685 3.50306 0.81348 -1.03783 -0.68818 154 3PX 0.03561 -0.38358 -0.16908 0.36295 0.19990 155 3PY -0.04941 1.78025 0.25416 -0.46523 -0.17617 156 3PZ -0.03621 0.68367 0.37231 -0.56074 -0.80910 157 4XX 0.01900 -0.23623 -0.07066 0.02822 0.09049 158 4YY 0.03627 0.14153 -0.16795 0.11149 0.45185 159 4ZZ -0.06502 0.20127 0.29996 -0.16255 -0.59327 160 4XY -0.00457 -0.01827 -0.06469 0.20475 0.10515 161 4XZ 0.02634 -0.24245 -0.12455 -0.01065 0.29780 162 4YZ -0.05713 0.07689 0.19876 -0.15157 -0.30467 163 17 H 1S -0.00275 -0.05492 0.02243 -0.00839 -0.14343 164 2S 0.02768 0.43922 0.05836 -0.10692 -0.05546 165 18 C 1S -0.00477 0.06848 0.02479 -0.07455 -0.04015 166 2S 0.08108 0.23596 -0.04845 -0.23969 0.00862 167 2PX 0.00370 -0.03539 -0.03740 0.02042 0.07099 168 2PY -0.01334 -0.08663 0.06310 0.33071 -0.14154 169 2PZ -0.05442 0.15839 0.18520 -0.04482 -0.31994 170 3S 0.05953 -4.20942 -0.72120 3.38513 1.08709 171 3PX 0.03211 -0.42368 -0.10066 0.12115 0.17320 172 3PY -0.00330 -1.24662 0.02380 1.29186 -0.13667 173 3PZ -0.04301 1.74596 0.38845 -1.04048 -0.63994 174 4XX -0.02984 0.42952 0.13637 -0.48800 -0.22173 175 4YY -0.03098 -0.18858 0.07689 0.64787 -0.10813 176 4ZZ 0.03820 -0.23856 -0.22601 -0.08294 0.40673 177 4XY -0.01624 -0.03997 0.02997 -0.05449 -0.05864 178 4XZ -0.02313 0.14245 0.10141 -0.08155 -0.17211 179 4YZ 0.02512 -0.08137 -0.12338 -0.03654 0.29974 180 19 H 1S 0.00682 0.06471 0.01103 -0.09205 0.00423 181 2S 0.01370 -0.46738 -0.07582 0.34348 0.13133 182 20 C 1S 0.00720 0.07746 -0.01406 0.00165 0.02208 183 2S 0.04056 0.67034 -0.09127 -0.15628 -0.00361 184 2PX -0.00343 0.00768 -0.02741 -0.07174 0.08779 185 2PY 0.02147 -0.02187 -0.01478 0.08183 0.02485 186 2PZ -0.02388 -0.22887 0.14455 0.15578 -0.28994 187 3S -0.27498 -3.54723 0.58932 1.03682 -0.69054 188 3PX 0.03547 0.39259 -0.14448 -0.36242 0.20025 189 3PY 0.04870 1.79293 -0.14044 -0.46527 0.17766 190 3PZ -0.03565 -0.70538 0.32860 0.56001 -0.80961 191 4XX 0.01883 0.24030 -0.05555 -0.02842 0.09079 192 4YY 0.03626 -0.13086 -0.17663 -0.11085 0.45156 193 4ZZ -0.06488 -0.21969 0.28657 0.16202 -0.59341 194 4XY 0.00457 -0.02218 0.06366 0.20471 -0.10556 195 4XZ 0.02616 0.24958 -0.10873 0.01106 0.29767 196 4YZ 0.05707 0.08965 -0.19379 -0.15135 0.30525 197 21 H 1S -0.00279 0.05352 0.02586 0.00829 -0.14338 198 2S 0.02781 -0.44204 0.03025 0.10684 -0.05576 199 22 C 1S -0.00470 -0.06991 0.02047 0.07451 -0.04022 200 2S 0.08138 -0.23230 -0.06306 0.23965 0.00858 201 2PX 0.00366 0.03771 -0.03504 -0.02055 0.07092 202 2PY 0.01355 -0.08249 -0.06812 0.33082 0.14148 203 2PZ -0.05436 -0.16979 0.17474 0.04460 -0.32010 204 3S 0.05606 4.24655 -0.45521 -3.38408 1.09040 205 3PX 0.03178 0.42984 -0.07349 -0.12179 0.17332 206 3PY 0.00447 -1.24199 -0.10192 1.29168 0.13579 207 3PZ -0.04168 -1.76712 0.27752 1.04009 -0.64110 208 4XX -0.02936 -0.43725 0.10938 0.48786 -0.22222 209 4YY -0.03134 0.18326 0.08786 -0.64802 -0.10759 210 4ZZ 0.03805 0.25238 -0.21022 0.08328 0.40670 211 4XY 0.01625 -0.03843 -0.03245 -0.05367 0.05854 212 4XZ -0.02291 -0.14850 0.09210 0.08142 -0.17197 213 4YZ -0.02513 -0.08901 0.11800 -0.03686 -0.29999 214 23 H 1S 0.00693 -0.06534 0.00702 0.09205 0.00416 215 2S 0.01330 0.47119 -0.04626 -0.34336 0.13168 191 192 193 194 195 V V V V V Eigenvalues -- 2.66896 2.68099 2.71168 2.76373 2.83239 1 1 C 1S -0.04191 -0.00889 0.02159 -0.09176 0.03504 2 2S -0.15512 0.00609 -0.14362 -0.47191 0.06860 3 2PX 0.01811 0.02676 0.02139 0.01337 0.03000 4 2PY 0.06362 -0.04373 -0.38937 0.25481 -0.08022 5 2PZ -0.04870 -0.02398 -0.01778 -0.03881 -0.04148 6 3S 2.08291 0.21339 -0.48899 6.46628 -0.16386 7 3PX 0.58666 0.07633 0.34798 1.92870 -0.36422 8 3PY 0.57784 0.01886 -0.61048 1.91515 1.52924 9 3PZ -0.62243 -0.10165 -0.31290 -2.10962 0.66109 10 4XX -0.13029 -0.03551 0.32926 -0.20751 0.13880 11 4YY 0.13149 0.01108 -0.62995 0.46800 -0.13531 12 4ZZ -0.01379 -0.00893 0.24423 -0.19680 0.05968 13 4XY 0.03973 -0.02227 -0.27427 -0.08388 0.36190 14 4XZ -0.24546 -0.02688 -0.09360 -0.34820 0.12058 15 4YZ -0.16104 0.02688 0.27530 0.03100 -0.43427 16 2 C 1S 0.03700 0.00880 0.06318 0.08999 0.03946 17 2S 0.32813 0.07103 0.09322 0.73963 0.40937 18 2PX -0.05478 -0.01779 -0.03519 0.05680 -0.26228 19 2PY -0.08769 -0.00276 -0.22807 -0.19115 -0.15308 20 2PZ -0.00804 0.00710 0.03048 -0.11057 0.22314 21 3S -1.70256 -0.34005 -2.00975 -3.96007 -1.70241 22 3PX -0.18683 0.00879 -0.59025 0.21754 -2.21625 23 3PY -0.76582 -0.32050 -0.86710 -3.28284 -1.58296 24 3PZ -0.19236 -0.08263 0.30858 -0.84508 1.80038 25 4XX 0.14686 -0.01101 0.02597 0.14283 -0.07437 26 4YY -0.16684 0.01893 0.00226 -0.16071 -0.00354 27 4ZZ 0.00706 -0.02225 0.03487 0.10776 0.10704 28 4XY 0.24878 0.02649 -0.24617 -0.11791 -0.20643 29 4XZ 0.19158 0.09623 0.20097 0.17196 0.08189 30 4YZ 0.10151 0.01106 -0.12374 -0.20200 0.13821 31 3 C 1S -0.01647 -0.00458 -0.02619 -0.06282 -0.10758 32 2S 0.00332 -0.03208 -0.62715 -0.84370 -0.85314 33 2PX 0.01012 -0.00947 -0.04580 -0.10179 -0.08172 34 2PY -0.04512 -0.03783 -0.22013 0.08266 0.21017 35 2PZ 0.04112 0.01258 -0.00252 -0.02952 -0.05002 36 3S 0.94065 0.15369 2.19154 5.62414 6.13459 37 3PX -0.37193 -0.12346 -0.62123 -0.74871 -1.65433 38 3PY -0.06166 0.04393 -0.41453 2.35610 0.62769 39 3PZ 0.44373 0.11537 1.15100 1.59456 2.18552 40 4XX 0.17532 -0.00996 0.25306 -0.04287 -0.11525 41 4YY -0.13260 0.02601 -0.42219 0.21759 0.50945 42 4ZZ -0.13222 -0.01264 0.27368 0.07286 -0.22829 43 4XY 0.09027 0.02947 0.27143 -0.20960 0.34622 44 4XZ -0.00256 -0.02885 -0.28046 -0.21010 -0.34623 45 4YZ -0.12236 -0.03627 -0.08626 0.39352 -0.21882 46 4 C 1S 0.01647 -0.00456 0.02620 0.06282 0.10758 47 2S -0.00325 -0.03200 0.62707 0.84363 0.85313 48 2PX -0.01007 -0.00952 0.04595 0.10174 0.08158 49 2PY -0.04522 0.03783 -0.22012 0.08272 0.21025 50 2PZ -0.04116 0.01255 0.00246 0.02951 0.05008 51 3S -0.94089 0.15252 -2.19154 -5.62402 -6.13446 52 3PX 0.37217 -0.12343 0.62154 0.74746 1.65424 53 3PY -0.06129 -0.04391 -0.41407 2.35669 0.62895 54 3PZ -0.44383 0.11501 -1.15089 -1.59396 -2.18519 55 4XX -0.17542 -0.01006 -0.25336 0.04303 0.11478 56 4YY 0.13262 0.02600 0.42245 -0.21793 -0.50904 57 4ZZ 0.13230 -0.01246 -0.27357 -0.07263 0.22835 58 4XY 0.09016 -0.02943 0.27106 -0.20947 0.34657 59 4XZ 0.00266 -0.02897 0.28052 0.20981 0.34638 60 4YZ -0.12243 0.03610 -0.08600 0.39356 -0.21874 61 5 C 1S -0.03700 0.00879 -0.06318 -0.08998 -0.03946 62 2S -0.32810 0.07082 -0.09307 -0.73951 -0.40927 63 2PX 0.05488 -0.01770 0.03533 -0.05668 0.26240 64 2PY -0.08766 0.00276 -0.22802 -0.19120 -0.15288 65 2PZ 0.00802 0.00705 -0.03050 0.11056 -0.22314 66 3S 1.70289 -0.33940 2.00971 3.95981 1.70216 67 3PX 0.18743 0.00884 0.59094 -0.21518 2.21749 68 3PY -0.76593 0.32012 -0.86633 -3.28239 -1.58103 69 3PZ 0.19236 -0.08255 -0.30865 0.84489 -1.80027 70 4XX -0.14708 -0.01106 -0.02554 -0.14269 0.07471 71 4YY 0.16700 0.01899 -0.00280 0.16048 0.00326 72 4ZZ -0.00701 -0.02219 -0.03478 -0.10768 -0.10713 73 4XY 0.24855 -0.02627 -0.24628 -0.11816 -0.20643 74 4XZ -0.19187 0.09615 -0.20098 -0.17181 -0.08193 75 4YZ 0.10140 -0.01085 -0.12398 -0.20209 0.13810 76 6 C 1S 0.04192 -0.00887 -0.02158 0.09176 -0.03504 77 2S 0.15506 0.00607 0.14355 0.47188 -0.06865 78 2PX -0.01820 0.02671 -0.02115 -0.01354 -0.02995 79 2PY 0.06353 0.04383 -0.38942 0.25482 -0.08021 80 2PZ 0.04875 -0.02393 0.01779 0.03880 0.04146 81 3S -2.08301 0.21250 0.48915 -6.46598 0.16399 82 3PX -0.58708 0.07624 -0.34748 -1.92985 0.36327 83 3PY 0.57745 -0.01837 -0.61073 1.91370 1.52944 84 3PZ 0.62250 -0.10156 0.31276 2.10956 -0.66113 85 4XX 0.13032 -0.03542 -0.32890 0.20763 -0.13922 86 4YY -0.13148 0.01096 0.62955 -0.46814 0.13578 87 4ZZ 0.01381 -0.00888 -0.24413 0.19682 -0.05973 88 4XY 0.03987 0.02231 -0.27508 -0.08339 0.36169 89 4XZ 0.24557 -0.02678 0.09335 0.34812 -0.12030 90 4YZ -0.16081 -0.02714 0.27546 0.03118 -0.43436 91 7 H 1S -0.13349 0.01212 0.14920 0.02555 -0.13544 92 2S 0.24413 0.02304 -0.05163 0.71144 0.11032 93 8 H 1S 0.12218 0.03140 -0.07302 -0.23976 0.05118 94 2S -0.02359 0.00966 0.10753 0.55107 0.40533 95 9 H 1S -0.12228 0.03129 0.07297 0.23968 -0.05125 96 2S 0.02363 0.00973 -0.10742 -0.55089 -0.40522 97 10 H 1S 0.13344 0.01225 -0.14925 -0.02556 0.13545 98 2S -0.24412 0.02294 0.05169 -0.71138 -0.11028 99 11 O 1S -0.00043 0.00142 -0.00408 -0.01660 -0.00693 100 2S 0.10124 0.01067 0.20223 0.53917 0.27578 101 2PX 0.00774 -0.00946 -0.01372 0.02645 -0.06430 102 2PY 0.03241 -0.01686 0.03471 0.09972 0.01368 103 2PZ -0.00423 -0.00636 0.00820 -0.01952 0.05739 104 3S -0.22147 -0.13812 -0.41126 -1.54143 -0.90978 105 3PX 0.11379 0.01293 0.01667 -0.22611 0.37784 106 3PY -0.09067 -0.01976 -0.12774 -0.42961 -0.31647 107 3PZ 0.09317 0.02600 -0.12925 0.06827 -0.43249 108 4XX 0.08302 0.01026 -0.02277 -0.01480 0.08159 109 4YY -0.17094 -0.01099 -0.02714 -0.22255 -0.21351 110 4ZZ 0.08893 -0.00336 0.01017 0.05877 0.00770 111 4XY 0.24927 0.02399 -0.13852 -0.17690 0.10068 112 4XZ 0.03119 -0.01231 0.00185 -0.05767 -0.04207 113 4YZ 0.11582 0.02835 -0.12917 -0.02737 -0.17897 114 12 O 1S 0.00043 0.00141 0.00409 0.01660 0.00693 115 2S -0.10113 0.01067 -0.20202 -0.53901 -0.27573 116 2PX -0.00774 -0.00946 0.01371 -0.02651 0.06430 117 2PY 0.03232 0.01685 0.03463 0.09967 0.01373 118 2PZ 0.00424 -0.00636 -0.00820 0.01952 -0.05738 119 3S 0.22141 -0.13799 0.41077 1.54095 0.90961 120 3PX -0.11377 0.01274 -0.01658 0.22637 -0.37765 121 3PY -0.09068 0.01973 -0.12754 -0.42930 -0.31670 122 3PZ -0.09318 0.02592 0.12929 -0.06824 0.43246 123 4XX -0.08332 0.01021 0.02303 0.01503 -0.08174 124 4YY 0.17127 -0.01092 0.02688 0.22231 0.21360 125 4ZZ -0.08891 -0.00343 -0.01011 -0.05877 -0.00767 126 4XY 0.24910 -0.02372 -0.13858 -0.17706 0.10042 127 4XZ -0.03123 -0.01232 -0.00169 0.05770 0.04219 128 4YZ 0.11583 -0.02824 -0.12926 -0.02734 -0.17894 129 13 C 1S -0.00002 0.03247 0.00000 0.00001 0.00001 130 2S -0.00001 -0.06712 -0.00002 0.00002 0.00008 131 2PX 0.00004 0.09879 0.00003 0.00002 -0.00003 132 2PY -0.31001 -0.00013 -0.10294 -0.04321 0.03250 133 2PZ 0.00002 -0.07138 0.00000 -0.00001 0.00000 134 3S 0.00057 -0.53049 0.00017 -0.00021 -0.00026 135 3PX 0.00025 -0.00014 0.00007 0.00007 0.00014 136 3PY -0.88869 -0.00042 -0.29667 0.00096 0.12408 137 3PZ 0.00008 -0.07136 0.00004 -0.00011 -0.00006 138 4XX -0.00035 0.14710 -0.00006 0.00004 0.00008 139 4YY 0.00065 -0.63263 0.00003 -0.00007 -0.00008 140 4ZZ -0.00031 0.52983 0.00004 0.00004 -0.00002 141 4XY 0.47089 0.00054 0.12515 -0.02500 -0.10281 142 4XZ 0.00020 -0.09059 -0.00001 0.00000 -0.00002 143 4YZ -0.48270 -0.00034 -0.05731 0.02690 0.11810 144 14 H 1S -0.00001 -0.00222 -0.00001 0.00000 -0.00002 145 2S -0.00005 0.07806 0.00000 0.00000 -0.00004 146 15 H 1S 0.00011 -0.24348 -0.00002 0.00000 0.00004 147 2S -0.00005 0.11578 0.00000 -0.00005 -0.00004 148 16 C 1S 0.07447 0.01335 0.03640 0.01587 0.01652 149 2S 0.24307 -0.00564 0.36951 0.30863 0.06650 150 2PX -0.03192 0.05489 -0.00001 0.01069 0.08092 151 2PY -0.10597 0.01053 0.02469 0.06023 0.05451 152 2PZ -0.11135 -0.13787 -0.04330 0.06176 0.01302 153 3S -2.59842 -0.39223 -1.42002 -0.68243 -0.29333 154 3PX -0.04346 0.16940 0.25227 0.25603 0.21390 155 3PY -1.30897 0.00615 -0.66660 -0.44067 -0.28671 156 3PZ -0.37717 -0.48297 -0.14651 -0.07428 -0.15995 157 4XX 0.22707 0.27155 -0.00511 -0.09083 -0.07976 158 4YY -0.21175 -0.33364 -0.03143 -0.01653 0.13341 159 4ZZ -0.01674 0.07006 -0.03322 0.05711 -0.00022 160 4XY -0.19519 0.20510 0.00386 0.07469 0.11119 161 4XZ 0.28310 -0.18254 0.06580 -0.05630 -0.05765 162 4YZ 0.07531 -0.54474 0.02153 0.06191 -0.02263 163 17 H 1S 0.06389 0.31872 0.02100 0.00100 -0.07032 164 2S -0.37036 -0.16887 -0.18774 -0.14777 -0.08052 165 18 C 1S -0.01792 -0.02358 -0.00060 0.00862 0.00847 166 2S -0.29758 0.02419 -0.03614 0.09111 0.03297 167 2PX 0.02412 0.04177 0.01404 -0.01622 0.01641 168 2PY -0.15086 0.06809 -0.04708 0.03330 -0.00941 169 2PZ -0.05998 -0.06580 -0.05019 0.01456 -0.03274 170 3S 2.09991 0.66286 0.71804 0.05960 0.06766 171 3PX 0.35460 0.07507 0.05623 0.05819 -0.03124 172 3PY 0.31873 -0.21097 -0.03148 -0.07392 -0.11150 173 3PZ -1.28081 -0.29797 -0.42424 -0.10136 0.06053 174 4XX -0.07260 -0.09534 0.00589 0.04294 0.03560 175 4YY -0.30260 -0.22512 -0.10004 0.03809 0.00839 176 4ZZ 0.38317 0.33316 0.09778 -0.09777 -0.00808 177 4XY 0.07732 0.01312 0.02567 0.07809 0.01054 178 4XZ -0.08402 -0.23622 0.01691 0.06610 -0.01501 179 4YZ 0.10663 -0.14902 0.10533 0.00938 0.06530 180 19 H 1S -0.00394 -0.20038 0.02796 0.04311 0.00580 181 2S 0.26686 0.08378 0.02476 -0.00739 -0.07196 182 20 C 1S -0.07448 0.01325 -0.03639 -0.01586 -0.01653 183 2S -0.24299 -0.00620 -0.36943 -0.30855 -0.06651 184 2PX 0.03193 0.05491 -0.00001 -0.01073 -0.08096 185 2PY -0.10594 -0.01052 0.02468 0.06026 0.05445 186 2PZ 0.11152 -0.13764 0.04333 -0.06179 -0.01301 187 3S 2.59844 -0.38840 1.41978 0.68230 0.29374 188 3PX 0.04406 0.16913 -0.25188 -0.25561 -0.21376 189 3PY -1.30890 -0.00772 -0.66669 -0.44115 -0.28713 190 3PZ 0.37740 -0.48227 0.14638 0.07417 0.16004 191 4XX -0.22706 0.27144 0.00515 0.09077 0.07959 192 4YY 0.21170 -0.33385 0.03127 0.01648 -0.13330 193 4ZZ 0.01678 0.07045 0.03333 -0.05703 0.00028 194 4XY -0.19524 -0.20481 0.00383 0.07466 0.11127 195 4XZ -0.28300 -0.18329 -0.06586 0.05624 0.05764 196 4YZ 0.07462 0.54450 0.02151 0.06207 -0.02268 197 21 H 1S -0.06409 0.31858 -0.02091 -0.00085 0.07034 198 2S 0.37048 -0.16839 0.18770 0.14784 0.08060 199 22 C 1S 0.01794 -0.02353 0.00060 -0.00863 -0.00846 200 2S 0.29747 0.02454 0.03606 -0.09121 -0.03310 201 2PX -0.02406 0.04175 -0.01401 0.01620 -0.01641 202 2PY -0.15082 -0.06815 -0.04711 0.03330 -0.00942 203 2PZ 0.06006 -0.06567 0.05021 -0.01454 0.03280 204 3S -2.10048 0.65929 -0.71794 -0.05939 -0.06781 205 3PX -0.35483 0.07447 -0.05620 -0.05817 0.03126 206 3PY 0.31806 0.21169 -0.03160 -0.07388 -0.11150 207 3PZ 1.28111 -0.29603 0.42420 0.10126 -0.06045 208 4XX 0.07263 -0.09511 -0.00590 -0.04305 -0.03556 209 4YY 0.30288 -0.22498 0.10003 -0.03803 -0.00835 210 4ZZ -0.38348 0.33280 -0.09774 0.09787 0.00807 211 4XY 0.07715 -0.01288 0.02558 0.07808 0.01051 212 4XZ 0.08418 -0.23617 -0.01699 -0.06610 0.01501 213 4YZ 0.10671 0.14904 0.10543 0.00933 0.06532 214 23 H 1S 0.00412 -0.20040 -0.02799 -0.04315 -0.00577 215 2S -0.26693 0.08341 -0.02476 0.00738 0.07190 196 197 198 199 200 V V V V V Eigenvalues -- 2.91144 2.95543 2.96967 2.97908 3.01625 1 1 C 1S 0.00804 -0.00017 -0.00851 0.00652 0.05062 2 2S 0.07630 0.07720 0.14040 -0.08402 0.30568 3 2PX -0.00139 0.02257 0.08721 -0.06646 0.01446 4 2PY -0.02012 -0.03984 0.01529 0.00102 -0.03655 5 2PZ -0.00331 -0.01308 -0.09489 0.07310 0.01218 6 3S -0.56666 -0.05932 -0.00511 0.11994 -3.34581 7 3PX -0.20500 -0.03214 0.03033 -0.03337 -1.09828 8 3PY 0.16320 0.07514 -0.17856 -0.07529 -1.08886 9 3PZ 0.29181 0.02665 -0.03391 0.02273 1.17740 10 4XX 0.01855 0.00782 0.09883 -0.02985 0.08395 11 4YY -0.03612 -0.06979 -0.17060 0.05944 -0.13782 12 4ZZ -0.00332 0.00094 0.13022 -0.05095 0.04823 13 4XY -0.00067 -0.02363 -0.09504 0.05063 0.04301 14 4XZ 0.03717 0.00768 -0.18131 0.08844 0.17307 15 4YZ -0.01745 -0.01706 0.09097 -0.05628 -0.01309 16 2 C 1S 0.00335 0.00622 -0.01038 -0.00300 -0.04057 17 2S -0.13069 0.07886 -0.48526 -0.69399 0.60889 18 2PX -0.00088 -0.02304 0.14256 0.05302 -0.09380 19 2PY 0.10200 0.00642 0.52629 0.70004 -0.74562 20 2PZ 0.03461 0.03047 -0.01012 0.11094 -0.08565 21 3S -0.37507 -0.47443 -0.76206 -1.19447 4.29006 22 3PX -0.55248 -0.30236 -0.02656 0.13873 0.23900 23 3PY 0.20969 -0.26176 0.55689 0.63824 0.84165 24 3PZ 0.53350 0.13875 0.08835 -0.00033 -0.02330 25 4XX 0.01539 -0.01666 0.26305 0.17381 -0.26624 26 4YY -0.03611 -0.02266 -0.38426 -0.45314 0.51091 27 4ZZ 0.03365 0.00567 0.08661 0.29923 -0.30138 28 4XY -0.05605 -0.01697 0.41867 -0.45892 0.19606 29 4XZ 0.04532 0.03422 -0.01158 0.05268 -0.21292 30 4YZ 0.02250 -0.00477 -0.54314 0.29929 0.09815 31 3 C 1S -0.02570 -0.01680 0.01322 -0.01785 0.06289 32 2S -0.15030 -0.23223 -0.10977 0.27523 0.41643 33 2PX -0.01474 -0.01717 0.09775 -0.06085 0.05221 34 2PY 0.01169 0.01101 0.00106 0.00490 -0.02006 35 2PZ 0.00558 -0.01522 -0.08807 0.08354 0.01366 36 3S 1.01984 1.08883 0.00721 -0.06438 -3.63958 37 3PX -0.15048 -0.10209 0.08689 -0.12955 1.12117 38 3PY -0.16682 0.06099 -0.00076 -0.14857 -0.97817 39 3PZ 0.25837 0.43786 -0.10631 0.00795 -1.32212 40 4XX 0.01495 0.02820 -0.08488 0.04789 0.03484 41 4YY 0.04636 0.01323 0.10748 -0.17935 -0.16591 42 4ZZ -0.07279 0.01961 -0.05021 0.03121 0.10441 43 4XY 0.10621 0.04415 -0.08300 0.08815 -0.06300 44 4XZ -0.06131 -0.02731 0.15764 -0.17547 0.22973 45 4YZ -0.02655 -0.00450 0.09590 -0.08282 0.06021 46 4 C 1S 0.02571 0.01680 0.01322 -0.01785 -0.06289 47 2S 0.15028 0.23220 -0.10977 0.27533 -0.41647 48 2PX 0.01474 0.01715 0.09776 -0.06085 -0.05219 49 2PY 0.01171 0.01101 -0.00098 -0.00496 -0.02010 50 2PZ -0.00558 0.01523 -0.08805 0.08352 -0.01369 51 3S -1.01993 -1.08874 0.00723 -0.06458 3.63953 52 3PX 0.15062 0.10210 0.08695 -0.12980 -1.12077 53 3PY -0.16677 0.06116 0.00066 0.14839 -0.97901 54 3PZ -0.25836 -0.43781 -0.10640 0.00792 1.32183 55 4XX -0.01509 -0.02826 -0.08502 0.04802 -0.03468 56 4YY -0.04623 -0.01318 0.10761 -0.17946 0.16586 57 4ZZ 0.07281 -0.01959 -0.05018 0.03114 -0.10449 58 4XY 0.10625 0.04415 0.08284 -0.08791 -0.06309 59 4XZ 0.06135 0.02731 0.15771 -0.17554 -0.22976 60 4YZ -0.02653 -0.00448 -0.09577 0.08270 0.06013 61 5 C 1S -0.00335 -0.00621 -0.01038 -0.00301 0.04057 62 2S 0.13065 -0.07854 -0.48538 -0.69412 -0.60890 63 2PX 0.00082 0.02299 0.14295 0.05354 0.09434 64 2PY 0.10195 0.00673 -0.52625 -0.70009 -0.74544 65 2PZ -0.03461 -0.03050 -0.01010 0.11094 0.08566 66 3S 0.37512 0.47474 -0.76210 -1.19466 -4.28967 67 3PX 0.55238 0.30252 -0.02603 0.13935 -0.23967 68 3PY 0.21017 -0.26123 -0.55693 -0.63812 0.84138 69 3PZ -0.53348 -0.13877 0.08830 -0.00038 0.02338 70 4XX -0.01529 0.01659 0.26361 0.17326 0.26594 71 4YY 0.03599 0.02283 -0.38480 -0.45260 -0.51054 72 4ZZ -0.03365 -0.00577 0.08663 0.29928 0.30137 73 4XY -0.05614 -0.01699 -0.41812 0.45949 0.19672 74 4XZ -0.04535 -0.03422 -0.01197 0.05288 0.21281 75 4YZ 0.02251 -0.00486 0.54314 -0.29923 0.09834 76 6 C 1S -0.00804 0.00017 -0.00851 0.00652 -0.05062 77 2S -0.07629 -0.07723 0.14034 -0.08409 -0.30568 78 2PX 0.00141 -0.02255 0.08721 -0.06647 -0.01444 79 2PY -0.02011 -0.03984 -0.01525 -0.00110 -0.03657 80 2PZ 0.00331 0.01308 -0.09489 0.07311 -0.01217 81 3S 0.56664 0.05935 -0.00482 0.12036 3.34561 82 3PX 0.20491 0.03212 0.03029 -0.03329 1.09896 83 3PY 0.16332 0.07509 0.17851 0.07516 -1.08810 84 3PZ -0.29184 -0.02668 -0.03400 0.02259 -1.17739 85 4XX -0.01855 -0.00781 0.09871 -0.02981 -0.08401 86 4YY 0.03610 0.06980 -0.17044 0.05945 0.13789 87 4ZZ 0.00334 -0.00097 0.13020 -0.05095 -0.04822 88 4XY -0.00071 -0.02370 0.09525 -0.05072 0.04284 89 4XZ -0.03718 -0.00766 -0.18126 0.08839 -0.17303 90 4YZ -0.01748 -0.01706 -0.09109 0.05633 -0.01318 91 7 H 1S 0.01378 0.01462 -0.02521 -0.01482 -0.02901 92 2S -0.03991 -0.00890 0.03778 -0.03512 -0.45849 93 8 H 1S -0.03377 -0.03055 -0.01535 0.00489 -0.03940 94 2S 0.01227 0.06924 -0.05640 0.04957 -0.38800 95 9 H 1S 0.03378 0.03052 -0.01536 0.00494 0.03946 96 2S -0.01225 -0.06924 -0.05640 0.04962 0.38790 97 10 H 1S -0.01378 -0.01461 -0.02522 -0.01482 0.02902 98 2S 0.03994 0.00891 0.03783 -0.03507 0.45848 99 11 O 1S -0.00648 -0.00182 -0.00476 -0.00772 0.01427 100 2S -0.12267 0.02136 -0.36313 -0.47277 0.53498 101 2PX -0.00697 -0.01042 0.02794 0.01345 -0.00966 102 2PY 0.01186 0.00611 0.12500 0.17820 -0.18047 103 2PZ 0.01709 -0.00113 -0.00162 0.02929 -0.01401 104 3S 0.47133 -0.06219 1.32776 1.76354 -1.82926 105 3PX 0.13236 0.06408 0.29212 0.02293 -0.20847 106 3PY 0.22701 -0.00123 0.76527 1.04605 -1.27671 107 3PZ -0.08804 -0.02177 -0.09688 0.22050 -0.11136 108 4XX -0.07071 -0.00802 -0.12700 -0.33395 0.35280 109 4YY 0.13279 0.00316 0.60852 0.87189 -0.98319 110 4ZZ -0.06487 -0.01013 -0.26559 -0.25299 0.36160 111 4XY 0.06342 0.02358 0.46747 -0.04295 -0.20671 112 4XZ -0.00423 0.00331 0.00735 0.03533 -0.00008 113 4YZ -0.01522 -0.00900 -0.23379 0.36779 -0.14886 114 12 O 1S 0.00647 0.00183 -0.00476 -0.00772 -0.01426 115 2S 0.12268 -0.02118 -0.36316 -0.47282 -0.53492 116 2PX 0.00697 0.01040 0.02804 0.01358 0.00978 117 2PY 0.01186 0.00619 -0.12500 -0.17821 -0.18044 118 2PZ -0.01710 0.00113 -0.00162 0.02929 0.01400 119 3S -0.47135 0.06145 1.32790 1.76372 1.82907 120 3PX -0.13253 -0.06415 0.29267 0.02366 0.20942 121 3PY 0.22688 -0.00085 -0.76515 -1.04616 -1.27640 122 3PZ 0.08803 0.02176 -0.09685 0.22054 0.11136 123 4XX 0.07060 0.00813 -0.12644 -0.33404 -0.35249 124 4YY -0.13267 -0.00348 0.60801 0.87205 0.98280 125 4ZZ 0.06484 0.01027 -0.26563 -0.25301 -0.36156 126 4XY 0.06355 0.02369 -0.46811 0.04194 -0.20781 127 4XZ 0.00424 -0.00331 0.00718 0.03560 0.00019 128 4YZ -0.01519 -0.00898 0.23376 -0.36781 -0.14885 129 13 C 1S 0.00000 0.00000 -0.00044 -0.00363 -0.00001 130 2S 0.00002 -0.00002 0.02553 -0.08942 -0.00005 131 2PX 0.00009 -0.00001 -0.01745 0.02030 0.00002 132 2PY -0.28616 0.04688 0.00001 0.00001 -0.03607 133 2PZ -0.00002 0.00000 0.00003 -0.01060 0.00000 134 3S -0.00004 0.00004 0.06218 0.07979 0.00026 135 3PX 0.00035 -0.00001 0.06573 -0.06521 -0.00009 136 3PY -0.96658 -0.02884 0.00006 -0.00003 -0.13556 137 3PZ -0.00006 -0.00001 0.06862 0.03841 0.00008 138 4XX -0.00024 0.00007 0.00077 0.02005 -0.00005 139 4YY 0.00030 -0.00012 -0.00049 0.01063 0.00005 140 4ZZ -0.00004 0.00005 -0.01264 -0.00164 0.00001 141 4XY 0.43755 -0.14170 -0.00003 -0.00001 0.06729 142 4XZ 0.00018 -0.00002 -0.00525 0.00150 0.00001 143 4YZ -0.42004 -0.02643 0.00002 0.00000 -0.05566 144 14 H 1S -0.00001 0.00001 -0.01613 -0.01380 0.00000 145 2S 0.00001 -0.00001 -0.03146 0.03777 0.00003 146 15 H 1S 0.00000 -0.00003 0.01827 -0.00060 -0.00003 147 2S 0.00001 0.00000 0.00343 0.02085 0.00004 148 16 C 1S 0.00975 0.00633 -0.00047 -0.00007 -0.01156 149 2S 0.22180 0.35135 -0.01021 -0.11040 0.10557 150 2PX -0.11651 -0.03334 0.00722 0.01627 -0.06534 151 2PY 0.02475 0.03895 0.00915 -0.01793 -0.01019 152 2PZ 0.31897 0.08797 -0.00421 0.00381 0.01748 153 3S -0.13626 -0.78889 -0.00367 0.12016 0.08422 154 3PX -0.42555 0.18349 -0.05066 -0.09730 -0.06618 155 3PY -0.58137 -0.45782 -0.07029 0.07224 0.11567 156 3PZ 0.93031 -0.12422 -0.01575 0.02079 0.25723 157 4XX -0.10233 -0.02236 0.01314 0.03951 -0.01522 158 4YY -0.26773 -0.39092 0.00340 0.00276 -0.09666 159 4ZZ 0.40939 0.32478 -0.01698 0.01208 0.01884 160 4XY -0.28825 0.12199 0.00084 -0.00569 -0.07828 161 4XZ -0.04211 -0.10545 -0.00260 0.00836 0.00072 162 4YZ 0.49070 -0.32654 0.00781 0.00236 0.04427 163 17 H 1S -0.04023 0.23217 -0.01444 -0.00312 0.04582 164 2S -0.06231 -0.23098 -0.02389 0.03830 0.05663 165 18 C 1S -0.00067 -0.00260 -0.00077 0.00293 -0.00954 166 2S -0.01549 -0.18555 -0.01092 0.00804 -0.01875 167 2PX -0.05382 0.00926 0.00756 0.00742 -0.01921 168 2PY 0.40005 -0.04879 0.00650 0.02078 0.06666 169 2PZ 0.23859 -0.01335 -0.00207 0.00543 0.02694 170 3S 0.43014 0.83727 0.03786 -0.06529 0.24872 171 3PX -0.10062 0.01310 0.00105 -0.01528 -0.03801 172 3PY 1.16473 0.25397 -0.01157 -0.05965 0.37104 173 3PZ 0.61373 -0.35659 -0.01653 0.06567 0.10531 174 4XX -0.03605 0.00822 0.00135 0.01786 -0.04061 175 4YY 0.71122 -0.20234 -0.00567 -0.00665 0.12660 176 4ZZ -0.63216 0.21185 0.01083 0.00347 -0.10384 177 4XY 0.10806 0.24421 0.00230 0.00231 -0.02079 178 4XZ 0.16555 -0.08651 -0.00822 -0.00753 0.03292 179 4YZ -0.26106 -0.81275 -0.00051 0.00633 -0.06192 180 19 H 1S -0.01976 -0.39597 -0.01040 -0.01603 0.00262 181 2S 0.04444 0.26192 0.00471 -0.01916 0.01690 182 20 C 1S -0.00976 -0.00632 -0.00047 -0.00007 0.01156 183 2S -0.22184 -0.35133 -0.01027 -0.11054 -0.10562 184 2PX 0.11650 0.03332 0.00723 0.01627 0.06535 185 2PY 0.02491 0.03899 -0.00915 0.01794 -0.01017 186 2PZ -0.31901 -0.08802 -0.00420 0.00380 -0.01746 187 3S 0.13615 0.78867 -0.00340 0.12056 -0.08435 188 3PX 0.42588 -0.18313 -0.05080 -0.09737 0.06604 189 3PY -0.58088 -0.45796 0.07023 -0.07248 0.11609 190 3PZ -0.93058 0.12409 -0.01557 0.02079 -0.25724 191 4XX 0.10270 0.02229 0.01313 0.03952 0.01532 192 4YY 0.26721 0.39112 0.00348 0.00286 0.09659 193 4ZZ -0.40928 -0.32492 -0.01702 0.01201 -0.01883 194 4XY -0.28842 0.12171 -0.00077 0.00575 -0.07828 195 4XZ 0.04171 0.10566 -0.00259 0.00839 -0.00076 196 4YZ 0.49094 -0.32624 -0.00794 -0.00243 0.04430 197 21 H 1S 0.04026 -0.23208 -0.01451 -0.00317 -0.04588 198 2S 0.06227 0.23097 -0.02385 0.03834 -0.05674 199 22 C 1S 0.00067 0.00259 -0.00076 0.00294 0.00954 200 2S 0.01550 0.18552 -0.01080 0.00816 0.01888 201 2PX 0.05357 -0.00922 0.00755 0.00742 0.01917 202 2PY 0.40015 -0.04876 -0.00653 -0.02077 0.06669 203 2PZ -0.23858 0.01331 -0.00206 0.00543 -0.02696 204 3S -0.42995 -0.83709 0.03743 -0.06588 -0.24879 205 3PX 0.09991 -0.01325 0.00104 -0.01527 0.03784 206 3PY 1.16495 0.25393 0.01158 0.05983 0.37097 207 3PZ -0.61362 0.35656 -0.01626 0.06588 -0.10525 208 4XX 0.03590 -0.00852 0.00136 0.01788 0.04061 209 4YY -0.71105 0.20283 -0.00559 -0.00665 -0.12662 210 4ZZ 0.63216 -0.21205 0.01070 0.00343 0.10380 211 4XY 0.10861 0.24403 -0.00224 -0.00223 -0.02065 212 4XZ -0.16538 0.08701 -0.00819 -0.00752 -0.03290 213 4YZ -0.26144 -0.81263 0.00032 -0.00653 -0.06197 214 23 H 1S 0.01973 0.39595 -0.01029 -0.01593 -0.00260 215 2S -0.04442 -0.26192 0.00462 -0.01925 -0.01686 201 202 203 204 205 V V V V V Eigenvalues -- 3.18202 3.25402 3.99327 4.03201 4.08894 1 1 C 1S 0.00267 -0.06138 0.14055 0.13658 -0.16048 2 2S -0.01213 0.07254 -0.84223 -0.57740 1.24607 3 2PX -0.08645 0.00494 -0.01046 -0.01423 0.01199 4 2PY 0.34560 0.16203 -0.00458 0.10764 0.09945 5 2PZ 0.09939 -0.02684 0.00862 0.01946 -0.01244 6 3S 0.80393 2.54429 -0.28084 -2.18493 0.30060 7 3PX -0.18048 0.70082 -0.17362 -0.61926 -0.29346 8 3PY 0.83411 0.72584 -0.26645 -0.84922 -0.41963 9 3PZ 0.23258 -0.74085 0.18193 0.61815 0.29095 10 4XX -0.19416 -0.30397 0.51103 0.43761 -0.65685 11 4YY 0.55194 0.39899 0.49231 0.53340 -0.65234 12 4ZZ -0.25561 -0.24435 0.49689 0.41618 -0.65766 13 4XY 0.16443 -0.36626 0.01125 0.02400 -0.01293 14 4XZ 0.23722 -0.00124 0.06941 0.10718 0.06387 15 4YZ -0.14905 0.46064 -0.01540 -0.04977 0.01698 16 2 C 1S -0.00066 0.05018 0.14161 0.16369 -0.07257 17 2S -0.03521 0.17471 -1.14919 -1.42531 0.14678 18 2PX -0.09128 -0.02468 0.02714 0.03067 0.01551 19 2PY -0.01787 -0.25333 -0.06507 -0.06597 0.09392 20 2PZ 0.08353 -0.03816 -0.01622 -0.01979 0.01805 21 3S 0.31527 -1.90886 -1.22024 -0.25135 -1.10399 22 3PX -0.04087 -0.04823 0.18313 0.21387 0.23512 23 3PY 0.14483 -1.12103 1.35675 1.95117 1.78223 24 3PZ 0.11142 -0.21990 0.02656 0.17159 0.09728 25 4XX -0.09975 -0.22285 0.61875 0.77291 -0.10748 26 4YY 0.05323 0.53940 0.71867 0.88488 -0.20954 27 4ZZ 0.07997 -0.22365 0.59605 0.72525 -0.11136 28 4XY -0.52592 0.04444 0.04862 0.06934 0.00025 29 4XZ 0.01207 0.44932 0.03280 -0.01656 -0.05365 30 4YZ 0.55642 0.00437 -0.01391 -0.00156 0.00060 31 3 C 1S 0.01458 -0.06011 0.03706 0.04316 -0.12874 32 2S 0.21119 -0.09401 -0.11882 0.09104 0.96133 33 2PX -0.09443 -0.06001 0.04495 0.07724 -0.01404 34 2PY -0.28131 0.10234 0.01392 0.01479 0.06828 35 2PZ 0.10441 0.01009 -0.01960 0.00069 0.02492 36 3S -1.56548 2.54471 -0.26013 -1.74546 0.14640 37 3PX -0.11841 -0.44224 0.14338 0.42259 0.31317 38 3PY -1.06742 0.88964 -0.13362 -0.74007 -0.33053 39 3PZ -0.06801 0.70607 -0.20082 -0.76134 -0.38260 40 4XX 0.25325 -0.16225 0.06719 0.03195 -0.52148 41 4YY -0.54789 0.39584 0.11003 0.05160 -0.49139 42 4ZZ 0.19904 -0.30320 0.09469 0.06364 -0.53591 43 4XY 0.12623 0.35088 -0.00932 -0.06410 0.02485 44 4XZ -0.21280 -0.02158 0.09112 0.13864 0.07397 45 4YZ -0.16385 -0.30528 0.03124 0.03250 0.00081 46 4 C 1S -0.01458 0.06011 0.03710 -0.04311 -0.12877 47 2S -0.21119 0.09400 -0.11878 -0.09139 0.96138 48 2PX 0.09460 0.05997 0.04502 -0.07722 -0.01403 49 2PY -0.28124 0.10241 -0.01391 0.01474 -0.06828 50 2PZ -0.10443 -0.01005 -0.01962 -0.00073 0.02491 51 3S 1.56549 -2.54470 -0.26146 1.74528 0.14714 52 3PX 0.11901 0.44178 0.14361 -0.42214 0.31272 53 3PY -1.06736 0.88995 0.13416 -0.74035 0.33032 54 3PZ 0.06783 -0.70583 -0.20140 0.76114 -0.38241 55 4XX -0.25341 0.16184 0.06720 -0.03168 -0.52151 56 4YY 0.54806 -0.39540 0.11014 -0.05147 -0.49146 57 4ZZ -0.19904 0.30318 0.09476 -0.06348 -0.53600 58 4XY 0.12570 0.35123 0.00934 -0.06404 -0.02488 59 4XZ 0.21291 0.02181 0.09126 -0.13861 0.07392 60 4YZ -0.16358 -0.30535 -0.03121 0.03240 -0.00074 61 5 C 1S 0.00066 -0.05017 0.14176 -0.16355 -0.07262 62 2S 0.03519 -0.17468 -1.15046 1.42430 0.14718 63 2PX 0.09131 0.02486 0.02711 -0.03059 0.01557 64 2PY -0.01782 -0.25330 0.06515 -0.06591 -0.09393 65 2PZ -0.08352 0.03818 -0.01623 0.01978 0.01805 66 3S -0.31526 1.90872 -1.22069 0.25061 -1.10409 67 3PX 0.04077 0.04908 0.18437 -0.21523 0.23647 68 3PY 0.14479 -1.12084 -1.35834 1.95026 -1.78144 69 3PZ -0.11137 0.21983 0.02668 -0.17161 0.09720 70 4XX 0.10043 0.22285 0.61949 -0.77245 -0.10769 71 4YY -0.05392 -0.53933 0.71939 -0.88413 -0.20980 72 4ZZ -0.07996 0.22358 0.59669 -0.72471 -0.11159 73 4XY -0.52581 0.04506 -0.04876 0.06941 -0.00016 74 4XZ -0.01247 -0.44928 0.03278 0.01660 -0.05364 75 4YZ 0.55636 0.00402 0.01393 -0.00151 -0.00063 76 6 C 1S -0.00267 0.06137 0.14066 -0.13641 -0.16052 77 2S 0.01212 -0.07254 -0.84272 0.57635 1.24618 78 2PX 0.08621 -0.00504 -0.01048 0.01415 0.01206 79 2PY 0.34565 0.16205 0.00448 0.10768 -0.09942 80 2PZ -0.09937 0.02684 0.00863 -0.01944 -0.01245 81 3S -0.80397 -2.54415 -0.28258 2.18458 0.30144 82 3PX 0.17988 -0.70128 -0.17430 0.61977 -0.29350 83 3PY 0.83424 0.72534 0.26707 -0.84864 0.41916 84 3PZ -0.23253 0.74085 0.18241 -0.61808 0.29066 85 4XX 0.19397 0.30441 0.51140 -0.43702 -0.65698 86 4YY -0.55173 -0.39945 0.49275 -0.53277 -0.65244 87 4ZZ 0.25560 0.24435 0.49725 -0.41559 -0.65775 88 4XY 0.16502 -0.36569 -0.01125 0.02408 0.01294 89 4XZ -0.23711 0.00091 0.06949 -0.10711 0.06385 90 4YZ -0.14925 0.46060 0.01549 -0.04982 -0.01696 91 7 H 1S -0.00716 0.24929 -0.07862 -0.07981 0.04557 92 2S 0.01103 0.11185 -0.05449 -0.19025 -0.38372 93 8 H 1S 0.02227 0.18494 -0.01873 -0.04041 0.01852 94 2S -0.06471 0.07483 -0.06146 -0.23368 -0.33914 95 9 H 1S -0.02227 -0.18493 -0.01875 0.04039 0.01854 96 2S 0.06469 -0.07476 -0.06158 0.23366 -0.33905 97 10 H 1S 0.00716 -0.24929 -0.07869 0.07973 0.04559 98 2S -0.01104 -0.11185 -0.05464 0.19030 -0.38363 99 11 O 1S -0.00025 -0.01563 -0.24855 -0.24660 -0.27772 100 2S 0.01224 -0.11219 -0.31563 -0.32548 -0.32055 101 2PX -0.00169 -0.03426 -0.02616 -0.02626 -0.01143 102 2PY -0.00067 -0.22011 -0.19691 -0.21143 -0.08392 103 2PZ 0.00356 -0.02531 -0.01943 -0.01809 -0.00752 104 3S -0.01616 -0.10187 3.39232 3.46739 3.99377 105 3PX -0.23046 -0.02081 0.10416 0.10175 0.14052 106 3PY -0.02782 -0.03362 0.70857 0.64990 0.95810 107 3PZ 0.21939 0.02481 0.08136 0.05657 0.09246 108 4XX -0.07762 -0.03514 -0.84381 -0.82295 -0.95315 109 4YY -0.00250 -0.27040 -0.77857 -0.81826 -0.71760 110 4ZZ 0.06981 -0.01619 -0.84352 -0.82877 -0.95385 111 4XY -0.34303 -0.05241 0.02019 0.01507 0.04617 112 4XZ 0.01616 -0.08371 0.00925 0.01715 0.03739 113 4YZ 0.34651 -0.00802 0.00969 -0.00138 0.02056 114 12 O 1S 0.00025 0.01563 -0.24880 0.24647 -0.27766 115 2S -0.01226 0.11220 -0.31594 0.32528 -0.32046 116 2PX 0.00169 0.03443 -0.02634 0.02639 -0.01148 117 2PY -0.00068 -0.22007 0.19709 -0.21128 0.08386 118 2PZ -0.00356 0.02531 -0.01945 0.01807 -0.00751 119 3S 0.01621 0.10182 3.39574 -3.46562 3.99294 120 3PX 0.23050 0.02081 0.10478 -0.10215 0.14118 121 3PY -0.02768 -0.03359 -0.70915 0.64948 -0.95786 122 3PZ -0.21938 -0.02479 0.08143 -0.05653 0.09246 123 4XX 0.07807 0.03518 -0.84463 0.82252 -0.95292 124 4YY 0.00210 0.27030 -0.77941 0.81786 -0.71747 125 4ZZ -0.06982 0.01619 -0.84438 0.82835 -0.95367 126 4XY -0.34299 -0.05261 -0.02026 0.01507 -0.04637 127 4XZ -0.01640 0.08372 0.00928 -0.01715 0.03740 128 4YZ 0.34646 -0.00798 -0.00968 -0.00139 -0.02054 129 13 C 1S 0.00000 0.00000 -0.01460 -0.00002 0.07363 130 2S -0.00001 0.00000 0.00297 0.00006 -0.29219 131 2PX -0.00001 0.00000 -0.01115 -0.00001 -0.01787 132 2PY 0.02107 0.00553 -0.00001 0.01717 0.00000 133 2PZ 0.00001 0.00000 -0.02239 -0.00001 -0.01912 134 3S 0.00006 -0.00006 0.40159 0.00026 -0.46619 135 3PX -0.00002 0.00000 0.03130 0.00002 0.22633 136 3PY -0.01232 0.06938 0.00008 -0.13168 0.00007 137 3PZ 0.00003 -0.00003 0.23259 0.00014 -0.01283 138 4XX -0.00002 0.00003 -0.01918 -0.00004 0.23985 139 4YY 0.00002 -0.00002 -0.06550 -0.00010 0.23609 140 4ZZ 0.00001 0.00000 -0.03811 -0.00005 0.22487 141 4XY 0.02138 -0.03735 0.00002 -0.02148 0.00000 142 4XZ -0.00001 0.00000 0.00854 -0.00002 0.03582 143 4YZ -0.00292 0.01556 0.00000 0.02735 0.00003 144 14 H 1S 0.00000 0.00000 -0.06305 -0.00002 -0.03613 145 2S 0.00000 0.00000 -0.03063 -0.00002 -0.00757 146 15 H 1S -0.00001 0.00001 0.01848 0.00001 0.01237 147 2S 0.00001 -0.00002 0.03560 0.00004 0.05912 148 16 C 1S -0.00562 0.01334 0.04473 0.08291 0.05877 149 2S -0.03427 -0.02274 -0.31479 -0.56159 -0.41452 150 2PX -0.01595 0.03211 0.03073 0.01286 0.00753 151 2PY -0.01900 0.00913 -0.00300 0.00876 0.01944 152 2PZ -0.00170 0.00733 -0.06466 -0.06446 0.04775 153 3S 0.16939 -0.27142 -0.17517 -0.25634 -0.06900 154 3PX -0.02372 0.08898 -0.12222 -0.09625 -0.04079 155 3PY 0.22673 -0.15953 -0.12363 -0.14398 0.12444 156 3PZ 0.02762 -0.18614 -0.00027 0.08805 0.01397 157 4XX -0.00387 0.00970 0.18998 0.37035 0.21989 158 4YY -0.01399 0.05259 0.18582 0.30101 0.24923 159 4ZZ 0.00549 0.01813 0.09363 0.28287 0.28518 160 4XY -0.02578 0.03690 -0.00806 0.00233 -0.02458 161 4XZ 0.01554 -0.00916 0.02556 0.02675 -0.03644 162 4YZ -0.01954 -0.01387 -0.03011 -0.01501 0.04091 163 17 H 1S 0.02834 -0.01908 -0.03667 -0.04257 -0.02748 164 2S 0.06045 -0.05689 0.00681 0.02591 0.10733 165 18 C 1S 0.00028 0.00213 0.14902 0.09848 -0.07401 166 2S 0.01358 -0.00668 -1.04723 -0.78304 0.49518 167 2PX -0.00117 0.00199 0.03724 0.02859 -0.01172 168 2PY -0.00723 -0.01027 -0.02914 0.09662 0.05671 169 2PZ 0.00281 -0.00634 -0.01542 0.02037 0.05742 170 3S -0.25213 0.15486 -0.23736 -0.06577 0.18064 171 3PX -0.02749 0.05680 -0.03583 -0.09081 0.00848 172 3PY -0.13721 -0.08542 -0.01777 0.11545 -0.06936 173 3PZ 0.06768 -0.16478 -0.03033 -0.11017 0.02312 174 4XX -0.00135 0.00773 0.58408 0.38510 -0.28582 175 4YY -0.02592 -0.02076 0.53984 0.51662 -0.27410 176 4ZZ 0.01179 0.02738 0.63033 0.41985 -0.34889 177 4XY 0.00034 0.01398 0.00357 -0.01338 0.00838 178 4XZ 0.00298 -0.00990 -0.01554 -0.00429 0.00278 179 4YZ -0.00798 0.01808 -0.00242 -0.03445 -0.02503 180 19 H 1S -0.01019 0.00378 -0.10316 -0.08296 0.01596 181 2S -0.02534 0.02256 0.12717 0.14423 -0.06636 182 20 C 1S 0.00562 -0.01334 0.04480 -0.08288 0.05873 183 2S 0.03426 0.02276 -0.31529 0.56145 -0.41434 184 2PX 0.01596 -0.03212 0.03075 -0.01284 0.00755 185 2PY -0.01900 0.00913 0.00302 0.00875 -0.01946 186 2PZ 0.00170 -0.00733 -0.06470 0.06438 0.04782 187 3S -0.16944 0.27145 -0.17526 0.25614 -0.06865 188 3PX 0.02356 -0.08885 -0.12248 0.09628 -0.04082 189 3PY 0.22689 -0.15975 0.12363 -0.14370 -0.12459 190 3PZ -0.02759 0.18614 -0.00006 -0.08815 0.01401 191 4XX 0.00390 -0.00975 0.19027 -0.37024 0.21970 192 4YY 0.01398 -0.05255 0.18607 -0.30090 0.24915 193 4ZZ -0.00550 -0.01813 0.09389 -0.28291 0.28508 194 4XY -0.02576 0.03690 0.00808 0.00226 0.02459 195 4XZ -0.01553 0.00917 0.02555 -0.02669 -0.03643 196 4YZ -0.01955 -0.01388 0.03013 -0.01497 -0.04097 197 21 H 1S -0.02837 0.01911 -0.03672 0.04254 -0.02748 198 2S -0.06048 0.05693 0.00688 -0.02597 0.10736 199 22 C 1S -0.00028 -0.00213 0.14908 -0.09828 -0.07409 200 2S -0.01354 0.00665 -1.04766 0.78169 0.49583 201 2PX 0.00118 -0.00199 0.03724 -0.02861 -0.01171 202 2PY -0.00722 -0.01027 0.02911 0.09665 -0.05666 203 2PZ -0.00282 0.00635 -0.01539 -0.02041 0.05742 204 3S 0.25213 -0.15486 -0.23761 0.06550 0.18058 205 3PX 0.02758 -0.05676 -0.03590 0.09070 0.00851 206 3PY -0.13722 -0.08545 0.01766 0.11553 0.06935 207 3PZ -0.06772 0.16479 -0.03026 0.11015 0.02336 208 4XX 0.00134 -0.00774 0.58431 -0.38432 -0.28612 209 4YY 0.02591 0.02078 0.54014 -0.51592 -0.27455 210 4ZZ -0.01180 -0.02738 0.63057 -0.41902 -0.34926 211 4XY 0.00032 0.01395 -0.00351 -0.01331 -0.00839 212 4XZ -0.00298 0.00990 -0.01554 0.00428 0.00277 213 4YZ -0.00797 0.01809 0.00241 -0.03447 0.02504 214 23 H 1S 0.01020 -0.00378 -0.10320 0.08282 0.01603 215 2S 0.02536 -0.02258 0.12723 -0.14407 -0.06648 206 207 208 209 210 V V V V V Eigenvalues -- 4.18673 4.25667 4.30665 4.35425 4.36559 1 1 C 1S -0.21634 -0.03741 -0.11795 0.17030 -0.23455 2 2S 1.29796 0.24839 0.69804 -0.85646 1.39677 3 2PX -0.05550 -0.00017 -0.05694 0.03608 -0.04164 4 2PY 0.05155 -0.00166 0.05547 0.11035 -0.24382 5 2PZ 0.04071 -0.03627 0.07128 -0.03633 0.04366 6 3S 0.72965 -0.02816 0.57132 -1.99163 0.20267 7 3PX 0.13910 -0.04712 0.10728 -0.40427 -0.34335 8 3PY 0.03511 -0.02133 -0.04093 -0.46595 -0.51726 9 3PZ -0.13672 0.07624 -0.11945 0.46697 0.25978 10 4XX -0.84445 -0.13637 -0.47928 0.63051 -0.90616 11 4YY -0.77333 -0.13475 -0.43791 0.77679 -1.19819 12 4ZZ -0.85028 -0.12529 -0.50511 0.62181 -0.89408 13 4XY 0.01476 -0.02761 0.04400 -0.04548 0.00953 14 4XZ -0.00009 -0.00927 0.03832 0.00137 0.04863 15 4YZ -0.01220 0.04212 -0.05425 0.01992 -0.02943 16 2 C 1S 0.01108 -0.12863 0.18781 -0.01403 -0.07680 17 2S -0.05347 0.73196 -1.09010 0.02168 -0.08196 18 2PX -0.08106 -0.00003 -0.02179 0.09140 -0.00425 19 2PY -0.00389 0.06330 -0.06032 0.03804 0.06806 20 2PZ 0.06019 -0.02586 0.02837 -0.03055 0.04065 21 3S 0.21621 0.15930 -0.81786 -0.71658 -0.99346 22 3PX 0.14090 0.03624 0.02150 -0.35884 0.37172 23 3PY -0.41232 0.24014 -0.08620 1.17128 2.37266 24 3PZ -0.12430 0.13089 -0.05085 0.41959 0.13816 25 4XX 0.03122 -0.46022 0.72083 0.00021 -0.06581 26 4YY 0.02728 -0.58614 0.85077 -0.05731 -0.20362 27 4ZZ 0.05527 -0.44552 0.73420 -0.04081 -0.05489 28 4XY -0.09635 -0.01262 -0.01515 0.06589 -0.05473 29 4XZ -0.02382 -0.01404 -0.04870 0.03383 -0.12424 30 4YZ 0.09443 -0.03582 0.07204 -0.07229 0.03727 31 3 C 1S 0.17946 -0.10844 0.09232 -0.14880 -0.05855 32 2S -1.06202 0.69979 -0.26017 0.94658 0.48429 33 2PX -0.00045 -0.03439 0.04945 0.00363 0.03869 34 2PY -0.05574 0.02101 0.02888 -0.09809 -0.08667 35 2PZ 0.02210 -0.02310 0.00805 -0.01816 0.01295 36 3S -0.66833 0.19732 -0.37291 0.40638 -1.03396 37 3PX -0.04472 -0.03121 -0.18858 -0.18803 0.29648 38 3PY 0.18205 -0.08192 -0.04531 -0.50719 -0.68470 39 3PZ 0.04302 0.01209 -0.08633 -0.13371 -0.62536 40 4XX 0.71270 -0.44840 0.22580 -0.61493 -0.24175 41 4YY 0.61750 -0.38522 0.25226 -0.68944 -0.35697 42 4ZZ 0.70329 -0.40181 0.29243 -0.60757 -0.25470 43 4XY 0.01666 0.02780 -0.04850 0.00586 -0.00567 44 4XZ -0.00154 -0.03006 0.00774 -0.01761 0.03817 45 4YZ -0.00574 -0.04008 0.03702 -0.00909 -0.02553 46 4 C 1S 0.17946 -0.10839 0.09234 0.14880 0.05852 47 2S -1.06200 0.69927 -0.26023 -0.94662 -0.48412 48 2PX -0.00048 -0.03438 0.04946 -0.00357 -0.03864 49 2PY 0.05574 -0.02107 -0.02887 -0.09809 -0.08672 50 2PZ 0.02210 -0.02311 0.00806 0.01815 -0.01298 51 3S -0.66843 0.19780 -0.37311 -0.40620 1.03414 52 3PX -0.04452 -0.03149 -0.18854 0.18846 -0.29607 53 3PY -0.18204 0.08169 0.04526 -0.50703 -0.68490 54 3PZ 0.04304 0.01244 -0.08641 0.13366 0.62524 55 4XX 0.71270 -0.44810 0.22577 0.61493 0.24164 56 4YY 0.61748 -0.38492 0.25237 0.68946 0.35686 57 4ZZ 0.70329 -0.40157 0.29250 0.60757 0.25456 58 4XY -0.01659 -0.02785 0.04849 0.00584 -0.00570 59 4XZ -0.00154 -0.03011 0.00777 0.01765 -0.03814 60 4YZ 0.00572 0.04007 -0.03701 -0.00906 -0.02553 61 5 C 1S 0.01108 -0.12862 0.18780 0.01408 0.07684 62 2S -0.05350 0.73204 -1.09007 -0.02198 0.08169 63 2PX -0.08106 0.00000 -0.02184 -0.09141 0.00421 64 2PY 0.00383 -0.06332 0.06031 0.03798 0.06807 65 2PZ 0.06019 -0.02584 0.02836 0.03056 -0.04066 66 3S 0.21602 0.15875 -0.81758 0.71599 0.99323 67 3PX 0.14063 0.03631 0.02147 0.35797 -0.37345 68 3PY 0.41223 -0.23977 0.08634 1.17120 2.37227 69 3PZ -0.12435 0.13090 -0.05085 -0.41960 -0.13817 70 4XX 0.03111 -0.46025 0.72077 -0.00009 0.06605 71 4YY 0.02742 -0.58618 0.85077 0.05763 0.20375 72 4ZZ 0.05530 -0.44552 0.73417 0.04103 0.05508 73 4XY 0.09636 0.01276 0.01505 0.06583 -0.05486 74 4XZ -0.02375 -0.01405 -0.04865 -0.03378 0.12419 75 4YZ -0.09444 0.03579 -0.07207 -0.07232 0.03735 76 6 C 1S -0.21634 -0.03745 -0.11797 -0.17029 0.23453 77 2S 1.29799 0.24856 0.69815 0.85642 -1.39664 78 2PX -0.05546 -0.00017 -0.05691 -0.03615 0.04180 79 2PY -0.05159 0.00169 -0.05550 0.11031 -0.24381 80 2PZ 0.04071 -0.03627 0.07128 0.03634 -0.04366 81 3S 0.72959 -0.02743 0.57150 1.99166 -0.20260 82 3PX 0.13911 -0.04695 0.10726 0.40455 0.34370 83 3PY -0.03490 0.02103 0.04090 -0.46556 -0.51696 84 3PZ -0.13670 0.07605 -0.11946 -0.46695 -0.25977 85 4XX -0.84445 -0.13654 -0.47930 -0.63042 0.90608 86 4YY -0.77338 -0.13487 -0.43805 -0.77681 1.19813 87 4ZZ -0.85030 -0.12543 -0.50518 -0.62178 0.89399 88 4XY -0.01481 0.02761 -0.04404 -0.04537 0.00929 89 4XZ -0.00009 -0.00925 0.03828 -0.00137 -0.04859 90 4YZ 0.01221 -0.04212 0.05428 0.01992 -0.02943 91 7 H 1S 0.09347 0.02987 0.03112 -0.06617 0.04692 92 2S -0.09962 -0.07628 -0.04638 -0.03172 -0.38751 93 8 H 1S -0.03721 0.04855 -0.03491 0.03245 -0.01024 94 2S 0.22427 -0.05837 0.10831 -0.24491 -0.29523 95 9 H 1S -0.03721 0.04854 -0.03493 -0.03247 0.01024 96 2S 0.22429 -0.05819 0.10829 0.24484 0.29515 97 10 H 1S 0.09347 0.02990 0.03112 0.06616 -0.04692 98 2S -0.09965 -0.07623 -0.04638 0.03169 0.38747 99 11 O 1S 0.05096 -0.01573 -0.02039 -0.13700 -0.26923 100 2S 0.08745 -0.00059 -0.04881 -0.25978 -0.44331 101 2PX 0.00300 0.01936 -0.01948 -0.02040 -0.01283 102 2PY 0.02290 0.07148 -0.10847 -0.05325 -0.07383 103 2PZ 0.01219 0.01232 -0.00660 -0.00716 -0.00779 104 3S -0.80770 0.32540 0.23294 2.29178 4.41193 105 3PX -0.06564 -0.00670 0.00154 0.20104 0.14234 106 3PY -0.19043 0.15655 -0.05461 0.57640 1.09050 107 3PZ -0.02322 -0.02019 0.00010 0.01115 0.11192 108 4XX 0.16660 -0.06177 -0.05228 -0.45636 -0.92341 109 4YY 0.14153 0.06077 -0.19750 -0.34381 -0.65735 110 4ZZ 0.17282 -0.06614 -0.05618 -0.47516 -0.92285 111 4XY -0.02574 0.00831 -0.02157 0.06214 0.03371 112 4XZ -0.00416 0.00318 0.01426 0.01385 0.05096 113 4YZ 0.00192 -0.00073 -0.00976 0.00038 0.02433 114 12 O 1S 0.05093 -0.01573 -0.02036 0.13694 0.26922 115 2S 0.08741 -0.00058 -0.04877 0.25967 0.44329 116 2PX 0.00301 0.01941 -0.01956 0.02042 0.01289 117 2PY -0.02288 -0.07147 0.10844 -0.05319 -0.07379 118 2PZ 0.01219 0.01232 -0.00660 0.00716 0.00779 119 3S -0.80729 0.32530 0.23254 -2.29093 -4.41169 120 3PX -0.06576 -0.00657 0.00147 -0.20141 -0.14314 121 3PY 0.19029 -0.15658 0.05471 0.57606 1.09036 122 3PZ -0.02320 -0.02020 0.00010 -0.01114 -0.11194 123 4XX 0.16648 -0.06175 -0.05222 0.45611 0.92332 124 4YY 0.14150 0.06080 -0.19741 0.34371 0.65732 125 4ZZ 0.17273 -0.06613 -0.05610 0.47500 0.92279 126 4XY 0.02576 -0.00842 0.02170 0.06222 0.03393 127 4XZ -0.00416 0.00318 0.01425 -0.01385 -0.05097 128 4YZ -0.00193 0.00072 0.00978 0.00037 0.02431 129 13 C 1S 0.06583 -0.27619 -0.31384 0.00008 0.00000 130 2S -0.45784 1.41027 1.66249 -0.00039 -0.00002 131 2PX 0.02048 0.04257 0.06764 -0.00002 -0.00001 132 2PY 0.00001 0.00001 0.00001 -0.02114 0.01658 133 2PZ -0.00686 -0.04604 -0.03203 0.00001 -0.00001 134 3S -0.03557 1.09401 1.42555 -0.00036 -0.00002 135 3PX -0.10961 0.03678 -0.07947 -0.00001 0.00008 136 3PY -0.00004 0.00004 0.00001 0.13102 -0.16537 137 3PZ 0.03409 0.09746 -0.07808 0.00002 0.00005 138 4XX 0.28177 -1.05601 -1.17578 0.00028 0.00003 139 4YY 0.20750 -0.98929 -1.14163 0.00034 -0.00001 140 4ZZ 0.27491 -0.98149 -1.19974 0.00028 0.00002 141 4XY 0.00003 -0.00001 -0.00001 0.05159 -0.02912 142 4XZ 0.03608 -0.05741 -0.00410 0.00004 -0.00001 143 4YZ 0.00000 -0.00003 0.00000 -0.07171 0.01971 144 14 H 1S -0.05270 0.07214 0.09174 -0.00002 -0.00001 145 2S 0.13905 -0.31674 -0.26565 0.00007 -0.00001 146 15 H 1S -0.04260 0.07046 0.07091 -0.00001 0.00000 147 2S 0.05446 -0.18950 -0.34981 0.00008 0.00004 148 16 C 1S 0.09625 -0.12487 -0.11595 -0.18302 0.06542 149 2S -0.62541 0.63167 0.40708 0.76967 -0.43620 150 2PX -0.00873 0.04390 0.05774 0.04058 0.00130 151 2PY -0.00776 -0.03982 0.00330 -0.04582 0.04548 152 2PZ -0.04915 -0.10534 -0.00457 0.05628 0.04376 153 3S -0.17607 0.79723 0.45989 1.04391 -0.32644 154 3PX -0.06544 -0.08567 -0.22903 -0.12996 -0.13410 155 3PY -0.04905 0.25624 0.12501 0.41459 -0.08120 156 3PZ 0.01248 0.27023 0.12896 0.08856 0.09602 157 4XX 0.39292 -0.45539 -0.33340 -0.68200 0.27419 158 4YY 0.38602 -0.40647 -0.35591 -0.60405 0.27056 159 4ZZ 0.30687 -0.56207 -0.33050 -0.57508 0.33111 160 4XY -0.02997 0.07907 0.07723 -0.02500 -0.01493 161 4XZ 0.02873 -0.00871 -0.03988 -0.03495 -0.03400 162 4YZ -0.00993 -0.11225 -0.05123 0.04219 0.04136 163 17 H 1S -0.06392 0.07212 0.06726 0.05777 -0.03381 164 2S 0.06514 -0.01165 -0.03599 0.01672 0.06319 165 18 C 1S 0.16491 0.21990 -0.10794 -0.19152 -0.08619 166 2S -1.02931 -1.10240 0.71612 1.06071 0.64280 167 2PX -0.03207 -0.00210 0.01567 0.04456 -0.01499 168 2PY -0.03657 -0.03311 0.02519 -0.13673 -0.06047 169 2PZ -0.00668 -0.12486 0.01614 0.02139 0.06629 170 3S -0.43745 -1.14126 0.03838 0.66169 0.20351 171 3PX 0.07252 -0.04702 -0.04433 -0.16088 0.05766 172 3PY 0.05948 -0.05269 -0.03081 0.12381 -0.02240 173 3PZ -0.01474 0.40597 0.11239 0.13574 0.00848 174 4XX 0.64573 0.83369 -0.41586 -0.72194 -0.33283 175 4YY 0.58443 0.72077 -0.40996 -0.88524 -0.49239 176 4ZZ 0.63234 0.87193 -0.42482 -0.67164 -0.42875 177 4XY -0.00621 -0.02357 -0.02308 -0.02640 0.01149 178 4XZ 0.00157 -0.01753 0.01494 -0.02877 0.01935 179 4YZ -0.00929 0.04793 0.04854 0.00522 -0.01927 180 19 H 1S -0.04544 -0.07486 0.07397 0.03015 0.04872 181 2S 0.14909 0.06056 -0.13907 -0.17465 -0.06561 182 20 C 1S 0.09627 -0.12478 -0.11591 0.18308 -0.06540 183 2S -0.62547 0.63123 0.40688 -0.76989 0.43611 184 2PX -0.00873 0.04386 0.05773 -0.04057 -0.00133 185 2PY 0.00777 0.03986 -0.00327 -0.04586 0.04548 186 2PZ -0.04917 -0.10537 -0.00456 -0.05626 -0.04377 187 3S -0.17614 0.79679 0.45978 -1.04435 0.32631 188 3PX -0.06547 -0.08546 -0.22900 0.12978 0.13417 189 3PY 0.04899 -0.25612 -0.12526 0.41490 -0.08106 190 3PZ 0.01251 0.27012 0.12899 -0.08865 -0.09612 191 4XX 0.39293 -0.45496 -0.33318 0.68222 -0.27411 192 4YY 0.38609 -0.40629 -0.35589 0.60418 -0.27052 193 4ZZ 0.30690 -0.56176 -0.33032 0.57531 -0.33106 194 4XY 0.02998 -0.07913 -0.07722 -0.02489 -0.01495 195 4XZ 0.02872 -0.00878 -0.03994 0.03492 0.03397 196 4YZ 0.00997 0.11229 0.05118 0.04216 0.04140 197 21 H 1S -0.06392 0.07208 0.06728 -0.05781 0.03380 198 2S 0.06518 -0.01168 -0.03591 -0.01677 -0.06320 199 22 C 1S 0.16493 0.21999 -0.10795 0.19143 0.08621 200 2S -1.02945 -1.10295 0.71625 -1.06038 -0.64290 201 2PX -0.03208 -0.00213 0.01566 -0.04446 0.01502 202 2PY 0.03653 0.03306 -0.02518 -0.13678 -0.06047 203 2PZ -0.00667 -0.12487 0.01615 -0.02136 -0.06631 204 3S -0.43756 -1.14154 0.03825 -0.66104 -0.20341 205 3PX 0.07253 -0.04701 -0.04430 0.16079 -0.05764 206 3PY -0.05937 0.05266 0.03080 0.12395 -0.02231 207 3PZ -0.01476 0.40594 0.11247 -0.13596 -0.00849 208 4XX 0.64581 0.83401 -0.41593 0.72166 0.33288 209 4YY 0.58453 0.72125 -0.40998 0.88495 0.49246 210 4ZZ 0.63243 0.87226 -0.42492 0.67135 0.42884 211 4XY 0.00625 0.02365 0.02307 -0.02654 0.01136 212 4XZ 0.00156 -0.01748 0.01499 0.02876 -0.01935 213 4YZ 0.00928 -0.04798 -0.04853 0.00531 -0.01927 214 23 H 1S -0.04545 -0.07489 0.07399 -0.03015 -0.04875 215 2S 0.14910 0.06063 -0.13910 0.17463 0.06561 211 212 213 214 215 V V V V V Eigenvalues -- 4.52481 4.54471 4.63820 4.66215 4.94530 1 1 C 1S 0.07991 -0.05078 -0.13724 0.02353 -0.07459 2 2S -0.40380 0.32743 0.61301 -0.12716 0.23571 3 2PX 0.04452 -0.01618 -0.05580 -0.00242 -0.00071 4 2PY -0.01745 -0.00390 -0.08564 0.00673 -0.01991 5 2PZ -0.04164 0.03692 0.04633 -0.02297 0.00252 6 3S -0.51087 0.77021 1.57385 -0.22251 3.90352 7 3PX -0.23389 0.21924 0.35684 -0.27099 1.14138 8 3PY -0.14099 -0.01906 0.30095 -0.42196 1.67399 9 3PZ 0.21218 -0.21573 -0.35785 0.29184 -1.08945 10 4XX 0.30760 -0.20271 -0.49328 0.10037 -0.22517 11 4YY 0.29328 -0.29073 -0.63061 0.11855 -0.35062 12 4ZZ 0.32880 -0.24998 -0.51085 0.09183 -0.26438 13 4XY -0.02843 0.06138 0.04920 -0.03476 0.05950 14 4XZ -0.00992 0.05485 0.02523 -0.00190 0.02317 15 4YZ 0.04777 -0.07825 -0.04199 0.06775 -0.10661 16 2 C 1S -0.15595 0.20905 0.08320 -0.16017 0.25799 17 2S 0.71508 -0.89347 -0.44222 0.55723 -0.63380 18 2PX -0.01217 0.01435 0.01806 0.00565 -0.03573 19 2PY 0.04976 -0.03900 -0.00534 0.08424 -0.06615 20 2PZ 0.01637 0.04230 -0.00403 0.04156 -0.02001 21 3S 0.45251 -0.07612 -1.12170 -0.02624 -2.22330 22 3PX 0.18340 0.12388 0.07022 0.55423 -0.89467 23 3PY 0.98381 -0.63167 -0.04646 2.28266 -4.38013 24 3PZ 0.06074 -0.39152 0.01146 -0.06286 -0.14226 25 4XX -0.57609 0.70946 0.35188 -0.53236 0.78571 26 4YY -0.67806 0.89315 0.35650 -0.66426 0.97031 27 4ZZ -0.58208 0.70853 0.35567 -0.55094 0.83301 28 4XY -0.04570 -0.00360 -0.01040 -0.06693 0.05267 29 4XZ 0.08297 0.03010 -0.06691 0.10462 -0.11025 30 4YZ -0.00758 0.09582 0.03851 0.04471 -0.03405 31 3 C 1S 0.11055 0.25072 0.00760 0.24959 -0.31071 32 2S -0.59777 -0.79584 0.38181 -0.78100 0.65516 33 2PX 0.00113 0.01008 0.01018 -0.03737 -0.02912 34 2PY -0.01653 0.12512 -0.01843 0.01350 -0.03957 35 2PZ 0.04890 0.07839 -0.02151 0.11408 -0.11208 36 3S -0.66678 -2.61090 -0.78820 -2.09634 7.49735 37 3PX 0.15710 -0.00366 -0.58459 0.24162 -0.74300 38 3PY -0.13137 -0.42563 -0.21805 -0.16873 2.01683 39 3PZ -0.15243 -0.59591 -0.11313 -0.78275 2.05071 40 4XX 0.46102 0.75771 -0.14447 0.82187 -0.92969 41 4YY 0.39827 0.96345 -0.08561 0.77309 -1.15282 42 4ZZ 0.46884 0.79785 -0.09832 0.86261 -0.94197 43 4XY 0.04541 -0.07054 -0.02904 0.09028 -0.09182 44 4XZ -0.00231 0.04440 -0.02139 -0.05280 0.03203 45 4YZ -0.04815 -0.00123 0.00707 -0.01105 0.12810 46 4 C 1S 0.11042 -0.25081 -0.00737 0.24964 0.31067 47 2S -0.59739 0.79625 -0.38259 -0.78090 -0.65505 48 2PX 0.00111 -0.01014 -0.01019 -0.03738 0.02912 49 2PY 0.01658 0.12512 -0.01843 -0.01354 -0.03955 50 2PZ 0.04885 -0.07840 0.02161 0.11405 0.11203 51 3S -0.66519 2.61156 0.78623 -2.09720 -7.49701 52 3PX 0.15685 0.00377 0.58494 0.24078 0.74194 53 3PY 0.13132 -0.42573 -0.21769 0.16896 2.01742 54 3PZ -0.15187 0.59594 0.11246 -0.78276 -2.05003 55 4XX 0.46071 -0.75796 0.14530 0.82203 0.92964 56 4YY 0.39771 -0.96382 0.08632 0.77316 1.15255 57 4ZZ 0.46843 -0.79822 0.09915 0.86265 0.94191 58 4XY -0.04542 -0.07040 -0.02910 -0.09024 -0.09197 59 4XZ -0.00238 -0.04438 0.02134 -0.05288 -0.03210 60 4YZ 0.04812 -0.00133 0.00709 0.01099 0.12808 61 5 C 1S -0.15608 -0.20893 -0.08336 -0.16014 -0.25795 62 2S 0.71570 0.89292 0.44278 0.55707 0.63371 63 2PX -0.01215 -0.01429 -0.01806 0.00573 0.03577 64 2PY -0.04978 -0.03898 -0.00542 -0.08425 -0.06612 65 2PZ 0.01634 -0.04229 0.00406 0.04156 0.02000 66 3S 0.45271 0.07530 1.12203 -0.02730 2.22309 67 3PX 0.18387 -0.12367 -0.06964 0.55605 0.89777 68 3PY -0.98366 -0.63144 -0.04839 -2.28207 -4.37857 69 3PZ 0.06108 0.39147 -0.01152 -0.06286 0.14217 70 4XX -0.57663 -0.70899 -0.35240 -0.53231 -0.78567 71 4YY -0.67856 -0.89263 -0.35715 -0.66405 -0.97008 72 4ZZ -0.58253 -0.70808 -0.35620 -0.55079 -0.83284 73 4XY 0.04579 -0.00348 -0.01034 0.06708 0.05280 74 4XZ 0.08296 -0.03021 0.06698 0.10464 0.11026 75 4YZ 0.00770 0.09581 0.03852 -0.04465 -0.03397 76 6 C 1S 0.07995 0.05073 0.13727 0.02343 0.07457 77 2S -0.40406 -0.32718 -0.61318 -0.12680 -0.23570 78 2PX 0.04452 0.01616 0.05586 -0.00246 0.00072 79 2PY 0.01747 -0.00390 -0.08561 -0.00667 -0.01988 80 2PZ -0.04167 -0.03690 -0.04636 -0.02294 -0.00253 81 3S -0.51118 -0.76988 -1.57411 -0.22089 -3.90323 82 3PX -0.23408 -0.21910 -0.35731 -0.27087 -1.14235 83 3PY 0.14056 -0.01923 0.30105 0.42139 1.67303 84 3PZ 0.21229 0.21564 0.35813 0.29138 1.08933 85 4XX 0.30772 0.20245 0.49336 0.09998 0.22506 86 4YY 0.29355 0.29063 0.63082 0.11819 0.35065 87 4ZZ 0.32898 0.24978 0.51099 0.09148 0.26433 88 4XY 0.02847 0.06130 0.04912 0.03472 0.05938 89 4XZ -0.00993 -0.05478 -0.02520 -0.00186 -0.02311 90 4YZ -0.04783 -0.07824 -0.04206 -0.06774 -0.10662 91 7 H 1S -0.03764 0.00353 0.04662 -0.04500 0.08562 92 2S -0.06016 0.00424 0.01584 -0.18028 0.42854 93 8 H 1S -0.04539 -0.02327 0.08093 -0.08246 0.00403 94 2S 0.06809 0.06647 0.06540 0.02514 0.23878 95 9 H 1S -0.04537 0.02330 -0.08099 -0.08236 -0.00403 96 2S 0.06814 -0.06657 -0.06532 0.02534 -0.23862 97 10 H 1S -0.03763 -0.00351 -0.04667 -0.04496 -0.08560 98 2S -0.06010 -0.00423 -0.01599 -0.18020 -0.42845 99 11 O 1S -0.07399 0.06019 -0.03197 -0.21115 0.24472 100 2S -0.16069 0.09139 -0.06599 -0.48300 0.63819 101 2PX 0.00831 -0.01779 -0.00570 -0.00727 -0.00729 102 2PY 0.04295 -0.08867 -0.04941 -0.02404 -0.00464 103 2PZ 0.00165 -0.01467 0.00015 0.00388 -0.00626 104 3S 1.40018 -1.10815 0.52471 3.83884 -5.00712 105 3PX 0.03555 -0.05914 0.00365 0.12416 -0.11903 106 3PY 0.45588 -0.40739 0.10237 1.08193 -1.32171 107 3PZ 0.05598 0.04549 0.00126 0.13544 -0.15796 108 4XX -0.27019 0.22899 -0.09601 -0.73188 0.82812 109 4YY -0.05317 -0.01815 -0.13923 -0.39534 0.43616 110 4ZZ -0.26762 0.22623 -0.10756 -0.73925 0.84135 111 4XY 0.02174 -0.02679 -0.00590 0.05106 -0.05580 112 4XZ -0.01193 -0.00508 0.01612 -0.01120 0.00706 113 4YZ 0.03209 0.00785 -0.00799 0.06073 -0.06323 114 12 O 1S -0.07398 -0.06018 0.03180 -0.21118 -0.24467 115 2S -0.16066 -0.09138 0.06561 -0.48306 -0.63804 116 2PX 0.00835 0.01784 0.00574 -0.00729 0.00730 117 2PY -0.04302 -0.08861 -0.04940 0.02406 -0.00464 118 2PZ 0.00166 0.01466 -0.00013 0.00388 0.00625 119 3S 1.40010 1.10800 -0.52169 3.83928 5.00599 120 3PX 0.03591 0.05950 -0.00365 0.12495 0.11993 121 3PY -0.45590 -0.40724 0.10150 -1.08197 -1.32132 122 3PZ 0.05593 -0.04549 -0.00117 0.13548 0.15798 123 4XX -0.27014 -0.22891 0.09544 -0.73190 -0.82787 124 4YY -0.05308 0.01803 0.13893 -0.39547 -0.43613 125 4ZZ -0.26761 -0.22618 0.10697 -0.73936 -0.84117 126 4XY -0.02193 -0.02700 -0.00598 -0.05134 -0.05611 127 4XZ -0.01191 0.00509 -0.01614 -0.01115 -0.00701 128 4YZ -0.03209 0.00787 -0.00805 -0.06075 -0.06325 129 13 C 1S -0.28163 0.00009 0.00007 0.08416 0.00000 130 2S 1.42466 -0.00043 -0.00032 -0.45802 0.00001 131 2PX 0.08827 -0.00004 -0.00002 0.02731 0.00001 132 2PY 0.00004 -0.00196 0.04314 -0.00002 -0.07605 133 2PZ -0.07799 0.00003 0.00003 0.02786 -0.00001 134 3S 2.52768 -0.00066 -0.00125 -1.86283 0.00017 135 3PX -0.29940 0.00007 0.00002 0.23128 0.00007 136 3PY -0.00010 0.04630 0.44361 -0.00011 -0.20625 137 3PZ 0.16486 0.00004 -0.00032 -0.54550 0.00000 138 4XX -1.02629 0.00031 0.00021 0.32244 0.00002 139 4YY -1.19657 0.00039 0.00041 0.45831 -0.00004 140 4ZZ -1.10614 0.00034 0.00024 0.30029 0.00000 141 4XY 0.00007 0.02245 0.09402 -0.00010 -0.02311 142 4XZ 0.09614 -0.00001 0.00003 -0.03029 0.00000 143 4YZ 0.00001 -0.04403 -0.11327 0.00006 0.03532 144 14 H 1S -0.02288 0.00000 0.00005 0.07175 -0.00002 145 2S -0.22645 0.00006 0.00011 0.17853 -0.00002 146 15 H 1S 0.01056 0.00000 0.00002 0.03780 0.00000 147 2S -0.37817 0.00014 -0.00003 -0.06006 -0.00003 148 16 C 1S 0.20732 -0.09369 -0.33203 -0.23805 0.14073 149 2S -1.20258 0.02449 1.13395 0.84962 0.04705 150 2PX -0.01442 0.01551 0.06856 0.04677 0.01075 151 2PY 0.08180 -0.02768 -0.16097 -0.11187 0.06891 152 2PZ 0.02394 0.01814 -0.03434 -0.02399 0.01323 153 3S -1.69737 0.50151 3.67397 2.37563 -2.60809 154 3PX -0.07260 -0.29785 -0.42609 -0.23648 0.57134 155 3PY -0.22726 0.20124 1.25939 0.73602 -1.01576 156 3PZ 0.08496 -0.14563 0.34559 0.11649 -0.34073 157 4XX 0.82313 -0.22668 -1.11375 -0.75331 0.27930 158 4YY 0.91705 -0.22657 -1.08702 -0.89843 0.33361 159 4ZZ 0.88640 -0.14782 -1.26776 -0.81050 0.37439 160 4XY 0.04629 -0.05779 -0.02757 -0.01439 0.06779 161 4XZ -0.05726 -0.00026 0.04192 0.03899 -0.05054 162 4YZ -0.03384 0.04300 -0.04062 0.00263 0.00651 163 17 H 1S -0.04522 0.00117 0.07267 0.07651 0.00363 164 2S 0.25254 0.00769 0.03292 -0.04154 -0.17324 165 18 C 1S -0.06517 -0.22515 0.16561 -0.04217 -0.03344 166 2S 0.38291 0.93238 -0.79080 0.24232 0.06827 167 2PX -0.00967 0.01385 0.03481 0.02755 -0.00947 168 2PY 0.02140 -0.11520 0.04273 -0.00452 0.00676 169 2PZ 0.08543 0.09873 -0.11950 0.01399 -0.00329 170 3S 0.51095 2.08261 -3.30001 -0.60803 1.88914 171 3PX -0.00049 0.01048 -0.17996 -0.06043 0.12118 172 3PY -0.00464 0.66421 -0.68199 0.02747 0.27281 173 3PZ -0.14457 -0.45106 1.06466 0.28640 -0.79774 174 4XX -0.26520 -0.80138 0.59730 -0.15367 -0.10778 175 4YY -0.23092 -0.93902 0.73533 -0.15059 -0.10781 176 4ZZ -0.36735 -0.76197 0.75362 -0.10891 -0.12667 177 4XY -0.00671 -0.03946 -0.02674 -0.02450 0.02919 178 4XZ 0.06422 0.00488 -0.08545 -0.03173 0.02389 179 4YZ -0.04818 -0.02067 0.09044 0.07930 -0.01637 180 19 H 1S 0.02367 0.07922 -0.04833 0.04749 0.01220 181 2S -0.04653 -0.03682 -0.08415 -0.04834 0.08482 182 20 C 1S 0.20740 0.09358 0.33181 -0.23840 -0.14067 183 2S -1.20271 -0.02383 -1.13310 0.85075 -0.04718 184 2PX -0.01437 -0.01547 -0.06842 0.04677 -0.01082 185 2PY -0.08183 -0.02765 -0.16092 0.11205 0.06889 186 2PZ 0.02394 -0.01816 0.03430 -0.02401 -0.01323 187 3S -1.69783 -0.50077 -3.67162 2.37963 2.60745 188 3PX -0.07261 0.29778 0.42517 -0.23652 -0.57062 189 3PY 0.22729 0.20153 1.25902 -0.73746 -1.01617 190 3PZ 0.08504 0.14553 -0.34528 0.11670 0.34054 191 4XX 0.82341 0.22629 1.11304 -0.75448 -0.27920 192 4YY 0.91722 0.22601 1.08615 -0.89953 -0.33336 193 4ZZ 0.88661 0.14734 1.26697 -0.81180 -0.37416 194 4XY -0.04638 -0.05774 -0.02750 0.01452 0.06781 195 4XZ -0.05728 0.00025 -0.04186 0.03906 0.05055 196 4YZ 0.03382 0.04299 -0.04070 -0.00259 0.00655 197 21 H 1S -0.04523 -0.00120 -0.07262 0.07656 -0.00359 198 2S 0.25258 -0.00796 -0.03300 -0.04152 0.17334 199 22 C 1S -0.06502 0.22516 -0.16565 -0.04199 0.03341 200 2S 0.38228 -0.93253 0.79094 0.24148 -0.06822 201 2PX -0.00967 -0.01376 -0.03482 0.02756 0.00946 202 2PY -0.02150 -0.11518 0.04268 0.00450 0.00679 203 2PZ 0.08539 -0.09880 0.11955 0.01385 0.00330 204 3S 0.50974 -2.08267 3.29953 -0.61154 -1.88885 205 3PX -0.00049 -0.01088 0.18028 -0.06052 -0.12132 206 3PY 0.00508 0.66408 -0.68173 -0.02696 0.27255 207 3PZ -0.14431 0.45111 -1.06458 0.28758 0.79766 208 4XX -0.26468 0.80149 -0.59739 -0.15305 0.10765 209 4YY -0.23032 0.93904 -0.73550 -0.14973 0.10777 210 4ZZ -0.36686 0.76211 -0.75367 -0.10813 0.12656 211 4XY 0.00665 -0.03956 -0.02664 0.02453 0.02919 212 4XZ 0.06419 -0.00491 0.08536 -0.03175 -0.02386 213 4YZ 0.04824 -0.02067 0.09044 -0.07943 -0.01638 214 23 H 1S 0.02362 -0.07922 0.04837 0.04746 -0.01218 215 2S -0.04651 0.03688 0.08412 -0.04841 -0.08484 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05475 2 2S -0.06604 0.33271 3 2PX 0.00082 0.00026 0.36085 4 2PY 0.00119 -0.00064 0.00454 0.44126 5 2PZ -0.00081 -0.00124 -0.05352 -0.00259 0.37300 6 3S -0.19826 0.31901 0.04177 -0.08118 -0.03702 7 3PX -0.00561 0.00116 0.19089 -0.01350 0.02197 8 3PY 0.00083 -0.00937 -0.01062 0.12000 0.00623 9 3PZ 0.00403 0.00281 0.02382 0.01054 0.18496 10 4XX -0.01487 -0.00868 0.00093 -0.00815 0.00332 11 4YY -0.01819 -0.00058 -0.00111 0.01162 0.00178 12 4ZZ -0.01598 -0.00658 -0.00277 -0.01030 -0.00188 13 4XY -0.00144 0.00268 -0.00221 -0.00081 0.01553 14 4XZ 0.00466 -0.00944 0.00125 0.01042 -0.00193 15 4YZ 0.00151 -0.00292 0.01563 0.00098 -0.00585 16 2 C 1S 0.01383 -0.02918 -0.03983 0.03690 0.04795 17 2S -0.02710 0.05105 0.08444 -0.08184 -0.09907 18 2PX 0.03908 -0.07865 -0.04558 0.08836 0.15472 19 2PY -0.03446 0.06329 0.08538 -0.07489 -0.11508 20 2PZ -0.04764 0.09863 0.16027 -0.11626 -0.09806 21 3S 0.00155 0.02102 0.07706 -0.06846 -0.09856 22 3PX -0.00432 0.00218 0.01981 0.01331 0.02028 23 3PY -0.00260 0.01619 0.03062 0.02402 -0.04404 24 3PZ 0.00269 0.00355 0.02939 -0.01284 0.00422 25 4XX -0.00054 -0.00014 -0.00969 -0.00175 -0.00060 26 4YY 0.00072 -0.00208 -0.00088 0.01239 0.00139 27 4ZZ -0.00291 0.00428 0.00516 -0.00676 0.00672 28 4XY 0.00546 -0.01075 -0.00358 0.00570 0.01437 29 4XZ 0.00355 -0.00630 0.00150 0.00607 0.00171 30 4YZ -0.00572 0.01114 0.01286 -0.00486 -0.00670 31 3 C 1S -0.00575 0.01225 0.01388 -0.00746 -0.01521 32 2S 0.01187 -0.02549 -0.03168 0.01643 0.03359 33 2PX -0.01560 0.03725 0.02564 -0.01991 -0.04960 34 2PY -0.00631 0.01340 0.02106 -0.01615 -0.01715 35 2PZ 0.01455 -0.03211 -0.04015 0.02264 0.03258 36 3S 0.02803 -0.06314 -0.09763 0.04053 0.09606 37 3PX -0.00960 0.02523 0.02738 -0.00852 -0.04223 38 3PY -0.00597 0.00650 0.02912 -0.01435 -0.02715 39 3PZ 0.00732 -0.01698 -0.02462 0.00733 0.02494 40 4XX -0.00039 0.00064 -0.00055 -0.00118 -0.00423 41 4YY 0.00028 -0.00041 -0.00210 0.00089 0.00212 42 4ZZ -0.00093 0.00206 0.00550 -0.00197 -0.00171 43 4XY 0.00051 -0.00091 -0.00208 0.00084 0.00102 44 4XZ 0.00054 -0.00115 -0.00325 0.00160 0.00275 45 4YZ -0.00067 0.00153 0.00057 -0.00053 -0.00243 46 4 C 1S -0.00073 0.00028 0.00242 0.00158 -0.00220 47 2S 0.00096 -0.00164 -0.00754 -0.00270 0.00498 48 2PX -0.00512 0.01359 -0.00858 0.00620 -0.03003 49 2PY -0.00244 0.00595 0.00492 0.00209 -0.01367 50 2PZ 0.00084 0.00011 -0.02033 -0.00776 -0.01445 51 3S 0.00022 0.00996 -0.00245 -0.01055 0.00272 52 3PX -0.00489 0.01034 -0.01074 0.00716 -0.01584 53 3PY -0.00125 -0.00062 -0.00718 0.01008 -0.00565 54 3PZ 0.00211 -0.00037 -0.00080 -0.00812 -0.00925 55 4XX 0.00009 -0.00038 -0.00173 -0.00077 -0.00148 56 4YY 0.00003 -0.00002 -0.00077 0.00106 0.00026 57 4ZZ -0.00012 -0.00005 0.00163 -0.00037 0.00121 58 4XY 0.00046 -0.00115 -0.00110 0.00118 0.00109 59 4XZ -0.00018 0.00027 -0.00095 0.00105 -0.00023 60 4YZ -0.00034 0.00088 0.00073 -0.00165 -0.00147 61 5 C 1S -0.00349 0.00777 0.00386 0.01409 -0.00387 62 2S 0.00919 -0.01901 -0.00736 -0.03825 0.01121 63 2PX -0.00691 0.01648 0.02272 0.01790 0.00295 64 2PY -0.01004 0.02512 0.01216 0.03849 -0.00589 65 2PZ 0.00813 -0.02010 0.00249 -0.03016 0.01991 66 3S 0.00151 -0.01517 -0.04150 -0.05012 0.03063 67 3PX -0.00262 0.00756 0.01560 0.01003 -0.01372 68 3PY 0.00908 -0.01303 0.00703 -0.02557 -0.00148 69 3PZ -0.00006 -0.00315 -0.01247 -0.00627 0.01734 70 4XX 0.00031 -0.00058 -0.00548 -0.00180 -0.00475 71 4YY -0.00177 0.00373 0.00017 0.00904 -0.00136 72 4ZZ 0.00090 -0.00197 0.00611 -0.00313 0.00608 73 4XY 0.00013 -0.00035 -0.00668 0.00130 -0.00672 74 4XZ -0.00044 0.00101 0.00199 0.00134 0.00160 75 4YZ 0.00020 -0.00046 -0.00590 -0.00187 -0.00373 76 6 C 1S 0.01874 -0.03878 -0.00144 -0.08564 0.00019 77 2S -0.03878 0.06963 0.00044 0.17214 0.00091 78 2PX -0.00149 0.00055 0.18199 -0.00080 0.13309 79 2PY 0.08564 -0.17214 0.00114 -0.32373 -0.00232 80 2PZ 0.00020 0.00090 0.13308 0.00239 0.14640 81 3S 0.02188 -0.01350 0.01562 0.13314 -0.00214 82 3PX 0.00569 -0.00623 0.11873 -0.01173 0.09376 83 3PY 0.00298 -0.01903 0.01415 -0.09359 -0.01072 84 3PZ -0.00574 0.00392 0.09190 0.01305 0.09552 85 4XX 0.00255 -0.00590 0.00104 -0.00952 0.00151 86 4YY -0.00590 0.01036 0.00026 0.00540 -0.00014 87 4ZZ 0.00277 -0.00634 -0.00180 -0.01005 -0.00113 88 4XY -0.00005 -0.00007 -0.01375 -0.00125 0.00080 89 4XZ -0.00086 0.00198 -0.00037 0.00297 -0.00006 90 4YZ 0.00005 0.00011 0.00050 0.00122 -0.01400 91 7 H 1S -0.06122 0.11759 -0.15358 -0.14362 0.16809 92 2S -0.01072 0.02286 -0.13450 -0.10707 0.14549 93 8 H 1S -0.00677 0.01538 0.01994 -0.01010 -0.01909 94 2S -0.01405 0.02920 0.05169 -0.02781 -0.04031 95 9 H 1S 0.00033 -0.00082 0.00506 0.00628 0.00554 96 2S 0.00450 -0.00951 0.00817 0.00167 0.01750 97 10 H 1S 0.01309 -0.02723 0.01015 -0.04203 -0.01583 98 2S 0.01513 -0.02764 0.02587 -0.07079 -0.03370 99 11 O 1S -0.00262 0.00603 0.00090 -0.01097 -0.00321 100 2S 0.00744 -0.01598 -0.00511 0.02451 0.01173 101 2PX -0.02041 0.04346 0.01827 -0.04717 -0.04702 102 2PY 0.01439 -0.02498 -0.02276 0.04175 0.03469 103 2PZ 0.02563 -0.04848 -0.05105 0.06667 0.02838 104 3S 0.00088 -0.00180 0.01479 0.06116 -0.00700 105 3PX -0.01696 0.03697 0.01216 -0.03988 -0.04786 106 3PY 0.00678 -0.01173 -0.00658 0.03508 0.01889 107 3PZ 0.02024 -0.03976 -0.04767 0.05679 0.02099 108 4XX 0.00023 -0.00050 -0.00172 -0.00140 0.00107 109 4YY 0.00065 -0.00117 -0.00079 -0.00143 0.00005 110 4ZZ 0.00018 -0.00046 -0.00006 -0.00185 0.00154 111 4XY 0.00022 -0.00015 -0.00068 0.00065 0.00242 112 4XZ 0.00004 -0.00026 0.00065 0.00132 -0.00020 113 4YZ 0.00003 0.00020 0.00201 -0.00065 -0.00155 114 12 O 1S 0.00124 -0.00301 -0.00159 -0.00565 0.00041 115 2S -0.00252 0.00586 0.00332 0.01128 0.00081 116 2PX 0.00595 -0.01176 -0.05742 -0.01523 -0.05198 117 2PY 0.00753 -0.01929 -0.02073 -0.03205 -0.01186 118 2PZ -0.00948 0.01689 -0.04710 0.03725 -0.03594 119 3S -0.00880 0.01871 0.01044 0.04452 -0.00897 120 3PX 0.00455 -0.00989 -0.04750 -0.01235 -0.03791 121 3PY 0.00579 -0.01474 -0.01838 -0.02822 -0.00615 122 3PZ -0.00690 0.01331 -0.03361 0.03050 -0.03139 123 4XX 0.00024 -0.00076 -0.00153 -0.00150 -0.00056 124 4YY 0.00020 -0.00018 0.00079 -0.00100 0.00123 125 4ZZ 0.00032 -0.00090 -0.00009 -0.00165 0.00094 126 4XY 0.00010 -0.00020 0.00182 -0.00024 0.00203 127 4XZ -0.00022 0.00042 -0.00040 0.00095 -0.00026 128 4YZ 0.00000 0.00000 0.00198 -0.00037 0.00128 129 13 C 1S -0.00028 0.00089 -0.00025 -0.00009 -0.00143 130 2S 0.00086 -0.00319 0.00154 0.00059 0.00546 131 2PX -0.00029 0.00012 -0.00901 0.00022 -0.00799 132 2PY 0.00007 -0.00035 -0.00133 -0.00046 -0.00057 133 2PZ -0.00084 0.00053 0.00213 -0.00200 -0.00303 134 3S 0.00105 -0.00032 0.00250 -0.00121 0.00198 135 3PX 0.00053 -0.00317 -0.00809 0.00308 -0.00070 136 3PY 0.00007 -0.00023 -0.00196 -0.00047 -0.00160 137 3PZ -0.00081 0.00310 0.00515 -0.00281 -0.00593 138 4XX -0.00001 -0.00003 -0.00149 -0.00002 -0.00167 139 4YY 0.00002 -0.00013 0.00075 0.00006 0.00084 140 4ZZ 0.00007 0.00003 0.00116 0.00009 0.00136 141 4XY -0.00002 0.00001 0.00039 -0.00010 0.00012 142 4XZ -0.00011 0.00018 -0.00011 -0.00006 -0.00041 143 4YZ -0.00003 0.00005 0.00029 -0.00011 -0.00010 144 14 H 1S -0.00036 -0.00030 -0.00895 -0.00028 -0.00935 145 2S -0.00119 0.00240 -0.01237 -0.00178 -0.01747 146 15 H 1S 0.00058 -0.00039 0.00333 0.00101 0.00593 147 2S 0.00016 0.00167 0.00813 -0.00072 0.00505 148 16 C 1S -0.00002 0.00075 0.00164 -0.00059 -0.00001 149 2S 0.00021 -0.00014 0.00115 -0.00039 0.00003 150 2PX -0.00035 0.00333 0.01463 -0.00008 0.01273 151 2PY -0.00018 0.00000 0.00208 -0.00064 0.00084 152 2PZ -0.00051 0.00314 0.00163 -0.00039 0.00065 153 3S 0.00065 -0.00889 -0.02337 0.01188 0.00351 154 3PX 0.00132 0.00075 0.01834 -0.00051 0.01685 155 3PY -0.00160 0.00016 -0.00700 -0.00053 -0.00325 156 3PZ 0.00019 0.00052 -0.00236 0.00339 0.00702 157 4XX 0.00017 -0.00021 0.00004 -0.00005 0.00010 158 4YY 0.00008 0.00000 0.00058 -0.00029 0.00007 159 4ZZ -0.00002 0.00060 0.00085 -0.00022 -0.00020 160 4XY -0.00002 0.00011 0.00055 -0.00016 0.00040 161 4XZ -0.00002 0.00052 -0.00005 -0.00002 -0.00033 162 4YZ -0.00003 0.00009 -0.00004 -0.00003 -0.00005 163 17 H 1S 0.00015 -0.00048 0.00037 -0.00023 0.00080 164 2S -0.00250 0.00460 0.00039 -0.00598 -0.00844 165 18 C 1S -0.00067 0.00083 0.00129 -0.00017 0.00111 166 2S 0.00024 -0.00194 -0.00919 0.00086 -0.00685 167 2PX -0.00073 0.01021 0.00237 0.00183 0.00119 168 2PY -0.00011 -0.00013 -0.00073 -0.00250 0.00009 169 2PZ 0.00114 -0.00179 -0.00499 0.00284 -0.00085 170 3S 0.00445 -0.00120 0.01186 -0.00401 -0.00273 171 3PX -0.00234 0.00799 -0.00607 0.00166 -0.00723 172 3PY 0.00123 -0.00080 0.00306 0.00115 0.00788 173 3PZ 0.00011 -0.00124 -0.01299 0.00514 -0.00561 174 4XX -0.00071 0.00075 0.00154 -0.00004 0.00065 175 4YY -0.00018 0.00003 -0.00101 0.00004 -0.00086 176 4ZZ -0.00020 -0.00011 -0.00125 0.00014 -0.00120 177 4XY -0.00008 0.00028 0.00037 -0.00019 0.00000 178 4XZ 0.00002 -0.00010 -0.00029 0.00003 -0.00029 179 4YZ -0.00018 0.00036 0.00019 -0.00024 -0.00011 180 19 H 1S 0.00075 -0.00346 -0.00537 0.00208 -0.00256 181 2S 0.00051 -0.00162 0.00392 -0.00049 0.00881 182 20 C 1S -0.00005 0.00020 0.00083 -0.00064 0.00025 183 2S 0.00040 -0.00050 0.00150 0.00070 0.00210 184 2PX -0.00064 0.00130 0.02581 -0.00251 0.01984 185 2PY -0.00033 0.00089 0.00341 -0.00023 0.00266 186 2PZ -0.00011 0.00115 0.00910 0.00019 0.00672 187 3S -0.00087 -0.00100 -0.01158 0.00776 -0.00459 188 3PX -0.00059 0.00090 0.02936 -0.00285 0.02290 189 3PY -0.00097 0.00397 0.01023 -0.00153 0.00090 190 3PZ -0.00144 0.00243 0.00621 0.00026 0.00402 191 4XX -0.00002 0.00007 -0.00041 -0.00024 -0.00064 192 4YY 0.00009 -0.00025 0.00072 -0.00014 0.00080 193 4ZZ -0.00001 0.00020 0.00060 0.00009 0.00047 194 4XY -0.00003 0.00002 -0.00037 0.00011 -0.00036 195 4XZ -0.00015 0.00060 0.00026 -0.00004 -0.00056 196 4YZ 0.00000 -0.00007 -0.00013 0.00001 -0.00010 197 21 H 1S 0.00006 -0.00038 0.00408 -0.00046 0.00428 198 2S 0.00091 -0.00303 -0.00468 -0.00238 0.00094 199 22 C 1S -0.00018 0.00049 0.00156 0.00020 0.00080 200 2S 0.00045 -0.00070 -0.00812 0.00038 -0.00595 201 2PX -0.00191 0.01009 0.01237 0.00055 0.00389 202 2PY -0.00029 0.00139 0.00181 0.00175 0.00045 203 2PZ -0.00070 0.00233 -0.00343 -0.00091 -0.00553 204 3S -0.00052 -0.00040 0.00408 -0.00411 0.00248 205 3PX -0.00110 0.00699 0.00023 0.00168 -0.00628 206 3PY 0.00142 -0.00125 -0.00361 0.00053 -0.00179 207 3PZ -0.00140 0.00304 -0.00623 0.00126 -0.00715 208 4XX -0.00016 0.00027 0.00140 0.00025 0.00083 209 4YY -0.00004 -0.00003 -0.00084 0.00006 -0.00073 210 4ZZ 0.00002 -0.00006 -0.00140 0.00022 -0.00130 211 4XY -0.00010 -0.00025 0.00040 0.00007 0.00020 212 4XZ 0.00002 -0.00005 -0.00070 0.00008 -0.00050 213 4YZ -0.00007 0.00003 -0.00017 -0.00008 -0.00035 214 23 H 1S 0.00005 -0.00036 -0.00600 -0.00009 -0.00539 215 2S -0.00007 -0.00003 0.00293 -0.00144 0.00081 6 7 8 9 10 6 3S 0.46610 7 3PX 0.04111 0.11495 8 3PY 0.00959 -0.00530 0.06208 9 3PZ -0.02636 0.03309 0.00290 0.10581 10 4XX -0.00582 0.00110 -0.00136 0.00140 0.00068 11 4YY -0.00444 -0.00129 0.00140 0.00141 -0.00011 12 4ZZ -0.00348 -0.00134 -0.00184 -0.00144 0.00043 13 4XY 0.00312 0.00157 0.00016 0.00725 0.00000 14 4XZ -0.00939 0.00027 0.00238 -0.00081 -0.00005 15 4YZ -0.00300 0.00725 -0.00046 -0.00010 -0.00001 16 2 C 1S 0.02212 0.00570 0.01796 -0.00328 -0.00091 17 2S -0.01059 0.00461 -0.02666 -0.00867 0.00121 18 2PX -0.10992 -0.01434 0.05642 0.07122 0.00657 19 2PY 0.11828 0.05510 0.02140 -0.06943 0.00113 20 2PZ 0.11358 0.07368 -0.07146 -0.03651 0.00087 21 3S -0.01677 0.00729 -0.01595 -0.01571 0.00127 22 3PX 0.00169 0.00873 0.00263 0.01209 0.00188 23 3PY -0.01181 0.00090 0.00198 -0.00759 -0.00112 24 3PZ -0.01879 0.00977 -0.01177 0.00691 0.00162 25 4XX 0.00150 -0.00397 0.00083 -0.00334 0.00007 26 4YY -0.00444 -0.00101 0.00173 0.00098 -0.00019 27 4ZZ 0.01154 0.00619 -0.00026 0.00217 0.00004 28 4XY -0.02257 -0.00123 0.00038 0.00823 0.00016 29 4XZ -0.00536 0.00107 0.00157 0.00119 -0.00003 30 4YZ 0.02525 0.00786 -0.00002 -0.00215 -0.00032 31 3 C 1S 0.02144 0.00542 -0.01024 -0.00519 -0.00091 32 2S -0.05705 -0.01684 0.01018 0.01525 0.00172 33 2PX 0.09142 0.01370 -0.03678 -0.03351 -0.00069 34 2PY 0.03603 0.00918 -0.01374 -0.00351 -0.00172 35 2PZ -0.08715 -0.03425 0.03486 0.02095 0.00479 36 3S -0.16553 -0.04214 0.00277 0.02883 0.00298 37 3PX 0.04541 0.00801 -0.02153 -0.01955 -0.00011 38 3PY 0.00216 0.01547 -0.01961 -0.01376 -0.00079 39 3PZ -0.03364 -0.01278 0.01592 0.00808 0.00248 40 4XX 0.00109 -0.00077 0.00052 -0.00193 -0.00008 41 4YY -0.00022 -0.00136 -0.00028 0.00127 -0.00005 42 4ZZ 0.00383 0.00316 -0.00140 -0.00069 0.00003 43 4XY -0.00279 -0.00183 0.00116 0.00095 0.00011 44 4XZ -0.00020 -0.00128 0.00011 0.00092 -0.00006 45 4YZ 0.00410 0.00108 -0.00138 -0.00212 -0.00018 46 4 C 1S 0.00701 0.00548 0.00245 -0.00490 -0.00017 47 2S 0.00151 -0.00815 0.00245 0.00589 0.00004 48 2PX 0.02420 -0.01207 -0.00128 -0.02075 0.00068 49 2PY 0.00664 0.00155 0.00849 -0.00884 0.00066 50 2PZ -0.00651 -0.01268 -0.00438 -0.01396 0.00079 51 3S 0.05833 -0.00942 0.02920 0.01407 0.00029 52 3PX 0.01861 -0.00921 0.00114 -0.01301 0.00034 53 3PY -0.02815 -0.00496 -0.00256 -0.00678 0.00036 54 3PZ -0.00553 -0.00278 -0.00438 -0.00466 0.00064 55 4XX -0.00135 -0.00083 -0.00068 -0.00089 -0.00003 56 4YY -0.00021 -0.00043 0.00044 -0.00006 0.00002 57 4ZZ 0.00025 0.00093 -0.00008 0.00063 0.00003 58 4XY -0.00289 -0.00082 0.00150 0.00078 -0.00002 59 4XZ 0.00043 -0.00037 0.00055 -0.00024 -0.00003 60 4YZ 0.00282 0.00092 -0.00141 -0.00131 -0.00014 61 5 C 1S -0.01426 -0.00462 0.00054 0.00399 -0.00040 62 2S 0.00310 0.00324 -0.01200 -0.00002 0.00101 63 2PX 0.01197 0.00846 0.00212 -0.00434 -0.00022 64 2PY 0.08121 0.00895 0.04248 -0.00399 0.00006 65 2PZ 0.00088 -0.00029 0.00033 0.00249 0.00082 66 3S 0.00302 -0.01007 -0.01715 0.00209 0.00082 67 3PX 0.01678 0.00574 0.00020 -0.01166 -0.00037 68 3PY -0.01776 0.00141 -0.00892 0.00174 0.00088 69 3PZ 0.00379 -0.00747 0.00830 0.00375 0.00037 70 4XX -0.00223 -0.00388 -0.00060 -0.00300 0.00002 71 4YY 0.00431 -0.00071 0.00334 -0.00025 -0.00024 72 4ZZ -0.00543 0.00407 -0.00278 0.00408 0.00009 73 4XY -0.00596 -0.00492 -0.00371 -0.00559 -0.00013 74 4XZ 0.00194 0.00146 0.00062 0.00126 -0.00001 75 4YZ 0.00602 -0.00406 0.00491 -0.00251 -0.00001 76 6 C 1S 0.02188 0.00569 -0.00297 -0.00574 0.00255 77 2S -0.01350 -0.00624 0.01903 0.00392 -0.00590 78 2PX 0.01569 0.11872 -0.01402 0.09192 0.00102 79 2PY -0.13312 0.01187 -0.09358 -0.01300 0.00953 80 2PZ -0.00216 0.09374 0.01077 0.09553 0.00151 81 3S -0.17237 -0.00665 -0.03917 0.00736 -0.00369 82 3PX -0.00669 0.07767 -0.01417 0.06543 0.00093 83 3PY 0.03916 0.01421 -0.00714 -0.00932 0.00228 84 3PZ 0.00735 0.06541 0.00935 0.06233 0.00048 85 4XX -0.00369 0.00094 -0.00228 0.00048 0.00036 86 4YY 0.01092 -0.00004 0.00234 0.00023 -0.00030 87 4ZZ -0.00489 -0.00072 -0.00272 -0.00084 0.00031 88 4XY 0.00009 -0.00750 0.00031 -0.00179 -0.00001 89 4XZ 0.00383 -0.00027 0.00173 0.00009 -0.00006 90 4YZ -0.00047 -0.00176 -0.00014 -0.00726 -0.00016 91 7 H 1S 0.11315 -0.05490 -0.03377 0.06144 0.00092 92 2S 0.00684 -0.04810 -0.02190 0.05034 0.00254 93 8 H 1S 0.03773 0.01763 -0.01967 -0.01551 -0.00140 94 2S 0.07896 0.03636 -0.01791 -0.02489 -0.00151 95 9 H 1S 0.00036 -0.00046 0.00814 0.00626 0.00034 96 2S -0.02524 0.00330 -0.00102 0.01186 0.00078 97 10 H 1S -0.04855 0.00515 -0.01711 -0.00822 0.00094 98 2S -0.02074 0.01251 -0.01629 -0.01495 0.00157 99 11 O 1S 0.00273 -0.00563 -0.00053 0.00520 -0.00017 100 2S -0.01889 0.00598 -0.00586 -0.00411 0.00037 101 2PX 0.17238 0.00432 0.01584 -0.02901 0.00331 102 2PY -0.12475 -0.05295 -0.02889 0.06596 -0.00264 103 2PZ -0.26100 -0.05728 -0.03935 0.01888 0.00201 104 3S 0.00600 0.02351 0.00968 -0.02267 -0.00011 105 3PX 0.13208 0.00272 0.00908 -0.02916 0.00181 106 3PY -0.06917 -0.02642 -0.01230 0.03741 -0.00173 107 3PZ -0.18863 -0.04554 -0.02178 0.01192 0.00118 108 4XX 0.00259 -0.00020 0.00089 -0.00038 0.00011 109 4YY -0.00742 -0.00343 -0.00259 0.00357 -0.00014 110 4ZZ 0.00029 0.00068 -0.00028 0.00021 0.00006 111 4XY 0.00287 -0.00079 0.00169 0.00129 0.00029 112 4XZ -0.00127 0.00005 -0.00003 0.00003 0.00003 113 4YZ -0.00843 -0.00076 -0.00382 0.00000 0.00012 114 12 O 1S -0.00147 0.00227 -0.00255 -0.00345 0.00013 115 2S 0.01265 -0.00259 0.00827 0.00673 -0.00011 116 2PX -0.06635 -0.04263 -0.05361 -0.05684 0.00005 117 2PY -0.08439 -0.02369 -0.03731 -0.00632 -0.00017 118 2PZ 0.12318 -0.03778 0.09301 -0.02507 -0.00141 119 3S 0.00706 -0.00404 0.01249 0.00442 -0.00125 120 3PX -0.05157 -0.03406 -0.03875 -0.04072 0.00000 121 3PY -0.04882 -0.01656 -0.02338 -0.00444 0.00016 122 3PZ 0.08591 -0.02750 0.06545 -0.01997 -0.00119 123 4XX -0.00217 -0.00101 -0.00133 -0.00073 0.00003 124 4YY 0.00421 0.00155 0.00129 0.00056 0.00009 125 4ZZ -0.00084 -0.00001 -0.00027 0.00051 0.00003 126 4XY 0.00143 0.00149 0.00160 0.00250 0.00001 127 4XZ 0.00097 -0.00037 0.00063 -0.00028 -0.00003 128 4YZ -0.00541 0.00160 -0.00385 0.00124 0.00002 129 13 C 1S 0.00160 -0.00034 -0.00014 -0.00147 0.00007 130 2S -0.00341 0.00235 0.00072 0.00436 -0.00015 131 2PX 0.00414 -0.00640 0.00029 -0.00777 0.00053 132 2PY 0.00073 -0.00293 0.00449 -0.00163 -0.00023 133 2PZ 0.00654 0.00407 0.00043 -0.00312 -0.00011 134 3S -0.00075 0.00167 0.00005 0.00022 -0.00002 135 3PX -0.00177 -0.00423 0.00259 -0.00216 0.00028 136 3PY -0.00005 -0.00226 0.00145 -0.00227 -0.00026 137 3PZ 0.00530 0.00234 -0.00139 -0.00464 0.00007 138 4XX 0.00111 -0.00082 -0.00009 -0.00137 0.00006 139 4YY -0.00044 0.00060 0.00022 0.00062 -0.00003 140 4ZZ -0.00095 0.00047 0.00000 0.00106 -0.00001 141 4XY 0.00079 0.00031 -0.00015 0.00008 0.00003 142 4XZ 0.00041 -0.00017 -0.00015 -0.00028 0.00002 143 4YZ 0.00043 0.00006 0.00005 0.00003 0.00000 144 14 H 1S 0.00564 -0.00519 -0.00020 -0.00793 0.00034 145 2S 0.01001 -0.00831 -0.00214 -0.01296 0.00040 146 15 H 1S -0.00535 0.00033 -0.00056 0.00525 -0.00004 147 2S -0.00462 0.00195 -0.00153 0.00460 0.00003 148 16 C 1S -0.00126 -0.00013 -0.00074 0.00039 0.00019 149 2S 0.00498 0.00277 0.00307 -0.00076 -0.00021 150 2PX -0.01841 0.00940 -0.00304 0.01126 -0.00101 151 2PY 0.00670 0.00314 -0.00503 -0.00056 0.00036 152 2PZ 0.00008 -0.00097 0.00206 -0.00209 -0.00037 153 3S -0.00707 -0.01197 0.01151 0.00136 -0.00051 154 3PX -0.01880 0.01221 -0.00465 0.01292 -0.00066 155 3PY 0.01221 -0.00233 0.00266 -0.00219 -0.00005 156 3PZ -0.00543 -0.00211 0.00349 0.00345 -0.00010 157 4XX -0.00051 -0.00012 -0.00026 0.00000 0.00012 158 4YY -0.00021 0.00046 0.00012 0.00027 -0.00007 159 4ZZ 0.00066 0.00036 -0.00050 -0.00008 -0.00002 160 4XY -0.00011 0.00036 -0.00016 0.00032 0.00000 161 4XZ -0.00037 -0.00035 -0.00044 -0.00029 0.00002 162 4YZ 0.00016 -0.00008 0.00026 -0.00016 -0.00001 163 17 H 1S -0.00313 0.00049 0.00400 0.00161 -0.00043 164 2S 0.01503 0.00086 0.00447 -0.00469 -0.00032 165 18 C 1S 0.00019 0.00130 0.00083 0.00068 -0.00044 166 2S 0.00322 -0.00502 0.00108 -0.00538 0.00009 167 2PX -0.01650 -0.00601 -0.00330 0.00142 -0.00031 168 2PY -0.00015 -0.00068 -0.00213 -0.00067 0.00012 169 2PZ -0.01374 -0.00401 -0.00246 0.00287 0.00021 170 3S 0.00622 0.00825 -0.00462 -0.00219 0.00045 171 3PX -0.01180 -0.00947 -0.00339 -0.00421 -0.00013 172 3PY -0.00131 0.00274 0.00005 0.00446 0.00023 173 3PZ -0.00688 -0.00938 0.00276 -0.00241 -0.00016 174 4XX 0.00008 0.00078 -0.00017 0.00065 -0.00001 175 4YY -0.00041 -0.00077 -0.00007 -0.00044 -0.00003 176 4ZZ 0.00026 -0.00072 0.00003 -0.00082 -0.00001 177 4XY 0.00011 -0.00010 -0.00011 0.00019 0.00005 178 4XZ 0.00027 -0.00029 0.00009 -0.00024 0.00005 179 4YZ 0.00043 -0.00012 0.00020 -0.00021 -0.00001 180 19 H 1S -0.00210 -0.00178 0.00008 -0.00013 0.00017 181 2S -0.00423 0.00429 -0.00221 0.00683 0.00037 182 20 C 1S 0.00184 0.00031 0.00025 -0.00040 0.00015 183 2S -0.00719 0.00094 -0.00096 0.00294 -0.00022 184 2PX 0.00659 0.01375 0.00221 0.01487 -0.00010 185 2PY 0.00169 0.00235 -0.00328 0.00138 0.00022 186 2PZ -0.00137 0.00385 -0.00367 0.00710 0.00037 187 3S -0.00993 -0.00471 0.00073 -0.00076 -0.00056 188 3PX 0.01118 0.01764 0.00316 0.01770 0.00018 189 3PY 0.01058 0.00531 0.00234 0.00073 0.00012 190 3PZ 0.00461 0.00334 -0.00329 0.00352 0.00005 191 4XX 0.00098 -0.00022 0.00021 -0.00070 0.00004 192 4YY 0.00011 0.00075 -0.00007 0.00049 -0.00001 193 4ZZ -0.00024 0.00008 -0.00003 0.00047 0.00002 194 4XY 0.00024 -0.00016 -0.00013 -0.00025 0.00001 195 4XZ 0.00055 -0.00026 0.00000 -0.00025 0.00004 196 4YZ 0.00015 -0.00008 0.00021 -0.00006 -0.00001 197 21 H 1S -0.00117 0.00338 -0.00217 0.00291 -0.00003 198 2S -0.00793 -0.00215 -0.00715 -0.00104 0.00002 199 22 C 1S 0.00057 0.00167 0.00046 0.00051 -0.00004 200 2S -0.00392 -0.00675 -0.00165 -0.00323 0.00005 201 2PX -0.00214 -0.00128 -0.00125 0.00645 0.00040 202 2PY -0.00203 -0.00011 0.00017 0.00154 -0.00012 203 2PZ 0.00528 -0.00458 0.00277 -0.00474 -0.00005 204 3S -0.00498 -0.00074 -0.00023 0.00304 0.00020 205 3PX 0.00006 -0.00690 0.00096 -0.00192 0.00030 206 3PY -0.00200 -0.00270 -0.00021 -0.00093 0.00017 207 3PZ 0.00180 -0.00523 -0.00115 -0.00461 0.00001 208 4XX 0.00044 0.00088 0.00014 0.00056 0.00000 209 4YY 0.00036 -0.00048 0.00007 -0.00058 0.00000 210 4ZZ -0.00023 -0.00087 0.00024 -0.00082 -0.00003 211 4XY 0.00079 0.00049 0.00013 0.00021 0.00001 212 4XZ 0.00003 -0.00031 -0.00003 -0.00045 0.00002 213 4YZ 0.00078 -0.00007 0.00028 -0.00040 -0.00002 214 23 H 1S 0.00100 -0.00436 0.00127 -0.00428 -0.00017 215 2S 0.00361 0.00163 0.00254 -0.00051 -0.00022 11 12 13 14 15 11 4YY 0.00077 12 4ZZ -0.00020 0.00072 13 4XY -0.00002 -0.00002 0.00111 14 4XZ 0.00033 -0.00015 -0.00018 0.00067 15 4YZ 0.00003 0.00002 -0.00054 0.00020 0.00126 16 2 C 1S 0.00017 -0.00245 0.00338 0.00323 -0.00421 17 2S -0.00183 0.00401 -0.00659 -0.00650 0.00805 18 2PX 0.00076 -0.00279 0.00293 -0.00004 -0.00758 19 2PY -0.00938 0.00322 -0.00119 -0.00705 0.00099 20 2PZ -0.00081 -0.00500 -0.00755 -0.00254 0.00541 21 3S -0.00233 0.00308 -0.00723 -0.00412 0.00742 22 3PX 0.00061 -0.00228 -0.00076 -0.00013 -0.00185 23 3PY 0.00081 0.00013 -0.00247 -0.00054 0.00285 24 3PZ 0.00070 -0.00214 -0.00271 -0.00049 0.00086 25 4XX -0.00024 0.00004 0.00017 -0.00007 -0.00058 26 4YY 0.00057 -0.00034 -0.00011 0.00046 -0.00001 27 4ZZ -0.00041 0.00001 0.00057 -0.00023 -0.00014 28 4XY 0.00025 0.00026 0.00067 0.00016 0.00025 29 4XZ 0.00021 -0.00008 0.00007 0.00045 0.00016 30 4YZ -0.00023 -0.00006 0.00011 -0.00011 0.00054 31 3 C 1S 0.00029 -0.00065 -0.00047 0.00070 0.00072 32 2S -0.00040 0.00114 0.00098 -0.00136 -0.00136 33 2PX 0.00273 -0.00501 -0.00243 0.00314 0.00083 34 2PY 0.00048 -0.00083 -0.00012 0.00141 0.00092 35 2PZ -0.00168 0.00071 0.00024 -0.00334 -0.00241 36 3S -0.00006 0.00151 0.00442 -0.00138 -0.00425 37 3PX 0.00158 -0.00286 -0.00247 0.00134 0.00153 38 3PY -0.00049 0.00000 -0.00037 0.00039 0.00134 39 3PZ -0.00109 0.00017 0.00138 -0.00144 -0.00176 40 4XX -0.00012 0.00020 -0.00010 -0.00008 0.00010 41 4YY 0.00017 -0.00008 0.00002 0.00013 -0.00007 42 4ZZ 0.00001 -0.00016 -0.00016 0.00000 0.00020 43 4XY -0.00001 0.00015 0.00010 -0.00014 -0.00004 44 4XZ 0.00013 -0.00012 0.00011 0.00022 -0.00014 45 4YZ 0.00005 -0.00007 -0.00001 0.00013 0.00014 46 4 C 1S 0.00007 -0.00003 0.00038 -0.00017 -0.00044 47 2S 0.00003 -0.00017 -0.00097 0.00024 0.00104 48 2PX 0.00094 -0.00112 0.00074 -0.00008 -0.00119 49 2PY -0.00075 0.00008 -0.00187 -0.00059 0.00155 50 2PZ -0.00008 -0.00043 -0.00148 -0.00055 0.00154 51 3S -0.00009 -0.00083 -0.00418 0.00027 0.00373 52 3PX 0.00068 -0.00049 0.00124 -0.00026 -0.00131 53 3PY -0.00035 0.00012 -0.00117 -0.00039 0.00137 54 3PZ 0.00006 -0.00039 -0.00119 -0.00030 0.00151 55 4XX 0.00000 0.00008 -0.00004 -0.00001 -0.00015 56 4YY -0.00004 0.00002 -0.00004 -0.00001 0.00003 57 4ZZ 0.00003 -0.00001 0.00018 -0.00001 -0.00003 58 4XY -0.00005 0.00015 0.00015 -0.00009 -0.00011 59 4XZ -0.00002 0.00001 -0.00009 0.00003 0.00008 60 4YZ 0.00001 0.00001 -0.00006 0.00008 0.00015 61 5 C 1S -0.00048 -0.00030 -0.00145 0.00006 0.00171 62 2S 0.00098 0.00082 0.00300 -0.00028 -0.00347 63 2PX -0.00147 -0.00081 -0.00209 0.00014 0.00614 64 2PY -0.00209 -0.00018 -0.00330 0.00055 0.00469 65 2PZ 0.00193 0.00036 0.00636 -0.00082 -0.00378 66 3S 0.00027 0.00151 0.00427 -0.00071 -0.00509 67 3PX -0.00005 -0.00048 0.00019 0.00029 0.00123 68 3PY -0.00058 0.00062 -0.00166 -0.00009 0.00213 69 3PZ 0.00018 0.00013 0.00164 -0.00054 -0.00037 70 4XX 0.00003 0.00004 -0.00039 -0.00004 -0.00002 71 4YY 0.00007 -0.00022 -0.00004 0.00014 0.00006 72 4ZZ 0.00006 0.00002 0.00023 -0.00003 0.00025 73 4XY 0.00019 0.00002 0.00010 0.00004 -0.00062 74 4XZ -0.00013 -0.00003 0.00009 0.00002 0.00006 75 4YZ -0.00025 0.00014 -0.00053 -0.00003 0.00021 76 6 C 1S -0.00590 0.00277 0.00005 -0.00086 -0.00005 77 2S 0.01036 -0.00634 0.00005 0.00198 -0.00011 78 2PX 0.00028 -0.00181 0.01376 -0.00037 -0.00051 79 2PY -0.00540 0.01005 -0.00123 -0.00297 0.00121 80 2PZ -0.00015 -0.00113 -0.00080 -0.00007 0.01400 81 3S 0.01092 -0.00489 -0.00010 0.00383 0.00048 82 3PX -0.00003 -0.00073 0.00750 -0.00027 0.00176 83 3PY -0.00234 0.00272 0.00032 -0.00173 -0.00014 84 3PZ 0.00023 -0.00084 0.00179 0.00008 0.00726 85 4XX -0.00030 0.00031 0.00001 -0.00006 0.00016 86 4YY 0.00006 -0.00027 0.00003 -0.00017 0.00000 87 4ZZ -0.00027 0.00039 -0.00014 -0.00005 -0.00004 88 4XY -0.00003 0.00014 0.00039 -0.00008 -0.00095 89 4XZ -0.00017 -0.00005 0.00008 0.00003 -0.00010 90 4YZ 0.00000 0.00004 -0.00095 0.00010 0.00058 91 7 H 1S -0.00279 0.00172 0.00925 -0.00828 -0.01053 92 2S -0.00257 0.00276 0.00826 -0.00526 -0.00944 93 8 H 1S 0.00085 -0.00086 -0.00076 0.00119 0.00131 94 2S -0.00036 -0.00080 -0.00123 0.00077 0.00249 95 9 H 1S -0.00001 0.00006 0.00063 -0.00015 -0.00074 96 2S 0.00004 0.00027 0.00212 -0.00046 -0.00183 97 10 H 1S 0.00164 0.00106 -0.00675 -0.00002 0.00725 98 2S -0.00101 0.00187 -0.00672 -0.00048 0.00709 99 11 O 1S -0.00115 -0.00021 0.00021 -0.00004 -0.00044 100 2S 0.00219 0.00040 -0.00023 0.00058 0.00081 101 2PX -0.00154 -0.00339 -0.00635 -0.00099 -0.00575 102 2PY 0.00785 0.00026 -0.00163 0.00364 0.00616 103 2PZ 0.00608 -0.00474 -0.00598 0.00110 -0.00163 104 3S 0.00166 -0.00071 0.00010 0.00031 -0.00025 105 3PX -0.00143 -0.00204 -0.00472 -0.00084 -0.00377 106 3PY 0.00448 -0.00020 -0.00062 0.00217 0.00343 107 3PZ 0.00420 -0.00291 -0.00369 0.00096 -0.00168 108 4XX -0.00014 -0.00004 0.00003 0.00000 -0.00025 109 4YY 0.00035 0.00021 -0.00016 0.00008 0.00054 110 4ZZ -0.00010 -0.00004 0.00007 0.00000 -0.00009 111 4XY 0.00004 -0.00022 -0.00023 -0.00003 -0.00038 112 4XZ 0.00007 -0.00009 -0.00011 0.00003 0.00000 113 4YZ 0.00026 -0.00032 -0.00049 -0.00001 0.00010 114 12 O 1S 0.00023 0.00018 -0.00006 -0.00010 -0.00004 115 2S -0.00036 -0.00028 0.00001 0.00029 0.00036 116 2PX -0.00046 0.00116 0.00063 0.00016 -0.00307 117 2PY 0.00085 0.00022 0.00098 -0.00060 -0.00203 118 2PZ 0.00001 -0.00073 -0.00290 0.00023 0.00134 119 3S 0.00035 -0.00146 0.00075 0.00044 -0.00045 120 3PX -0.00020 0.00093 0.00053 0.00005 -0.00289 121 3PY 0.00029 0.00049 0.00039 -0.00040 -0.00122 122 3PZ -0.00007 -0.00058 -0.00263 0.00031 0.00107 123 4XX -0.00002 0.00005 -0.00006 -0.00001 0.00002 124 4YY -0.00007 0.00007 -0.00004 0.00001 0.00005 125 4ZZ 0.00000 0.00004 0.00000 -0.00001 0.00006 126 4XY 0.00006 -0.00002 0.00004 -0.00001 -0.00005 127 4XZ 0.00001 -0.00002 0.00003 0.00001 -0.00002 128 4YZ -0.00003 0.00000 -0.00004 0.00001 0.00004 129 13 C 1S 0.00011 -0.00010 -0.00001 -0.00001 0.00002 130 2S -0.00028 0.00022 0.00011 -0.00002 0.00009 131 2PX 0.00009 -0.00069 -0.00031 0.00026 -0.00019 132 2PY 0.00015 -0.00007 0.00013 0.00018 0.00007 133 2PZ -0.00015 -0.00025 -0.00010 0.00019 -0.00004 134 3S -0.00043 0.00012 -0.00022 -0.00035 -0.00062 135 3PX -0.00010 -0.00023 -0.00016 0.00023 -0.00007 136 3PY 0.00010 0.00004 0.00020 0.00015 0.00021 137 3PZ 0.00005 -0.00029 -0.00029 -0.00013 -0.00021 138 4XX 0.00000 -0.00010 -0.00006 0.00006 -0.00003 139 4YY -0.00001 0.00003 0.00003 -0.00001 0.00002 140 4ZZ 0.00002 0.00006 0.00005 -0.00005 0.00004 141 4XY 0.00000 -0.00006 -0.00003 0.00004 0.00001 142 4XZ 0.00002 -0.00004 -0.00001 0.00001 0.00000 143 4YZ 0.00000 -0.00004 -0.00002 0.00003 0.00002 144 14 H 1S -0.00005 -0.00056 -0.00035 0.00030 -0.00022 145 2S 0.00014 -0.00073 -0.00052 0.00034 -0.00030 146 15 H 1S 0.00006 0.00031 0.00020 -0.00023 0.00013 147 2S 0.00027 0.00021 0.00015 -0.00038 0.00019 148 16 C 1S 0.00007 0.00017 -0.00006 -0.00009 -0.00006 149 2S -0.00002 0.00015 0.00018 0.00015 0.00018 150 2PX 0.00009 0.00156 0.00106 -0.00114 0.00046 151 2PY -0.00008 -0.00019 -0.00041 -0.00003 -0.00015 152 2PZ 0.00040 0.00076 0.00044 -0.00040 0.00019 153 3S 0.00033 0.00043 0.00028 0.00063 -0.00010 154 3PX 0.00009 0.00110 0.00138 -0.00073 0.00094 155 3PY -0.00021 0.00021 -0.00020 0.00012 -0.00003 156 3PZ 0.00025 0.00051 0.00042 -0.00046 -0.00027 157 4XX -0.00002 -0.00010 -0.00005 -0.00001 -0.00003 158 4YY -0.00004 0.00005 0.00005 0.00000 0.00005 159 4ZZ 0.00003 0.00000 0.00001 -0.00001 0.00004 160 4XY -0.00001 0.00001 -0.00001 -0.00003 0.00001 161 4XZ 0.00007 -0.00004 -0.00001 -0.00004 -0.00001 162 4YZ 0.00001 0.00001 0.00001 -0.00001 0.00001 163 17 H 1S -0.00005 0.00030 0.00041 0.00004 0.00022 164 2S -0.00042 0.00029 -0.00014 -0.00015 -0.00013 165 18 C 1S -0.00016 -0.00030 0.00005 -0.00018 0.00012 166 2S -0.00001 0.00026 -0.00024 0.00038 -0.00024 167 2PX 0.00133 0.00070 0.00029 -0.00154 0.00019 168 2PY 0.00000 -0.00012 0.00004 -0.00020 0.00009 169 2PZ -0.00006 -0.00006 -0.00024 -0.00007 -0.00038 170 3S -0.00029 -0.00029 0.00001 0.00044 0.00042 171 3PX 0.00089 0.00035 -0.00023 -0.00104 -0.00022 172 3PY -0.00007 -0.00025 0.00027 -0.00007 -0.00008 173 3PZ 0.00024 0.00037 -0.00013 -0.00012 -0.00033 174 4XX 0.00002 -0.00001 0.00002 -0.00006 0.00004 175 4YY 0.00000 0.00003 -0.00002 0.00000 -0.00003 176 4ZZ -0.00001 0.00000 -0.00006 0.00003 -0.00004 177 4XY 0.00003 -0.00004 -0.00005 -0.00002 0.00000 178 4XZ 0.00000 -0.00006 -0.00003 0.00002 0.00000 179 4YZ 0.00003 -0.00001 0.00000 -0.00003 0.00003 180 19 H 1S -0.00030 0.00000 -0.00026 0.00047 -0.00036 181 2S -0.00027 -0.00027 0.00003 0.00016 -0.00032 182 20 C 1S 0.00003 -0.00011 0.00007 -0.00001 -0.00001 183 2S -0.00014 0.00033 0.00010 -0.00001 -0.00011 184 2PX 0.00030 -0.00060 0.00025 0.00021 0.00055 185 2PY 0.00012 -0.00027 -0.00013 0.00009 0.00005 186 2PZ 0.00011 -0.00037 -0.00008 0.00012 -0.00003 187 3S -0.00031 0.00034 -0.00063 0.00040 0.00013 188 3PX 0.00017 -0.00063 0.00055 0.00021 0.00083 189 3PY 0.00002 -0.00013 -0.00002 -0.00026 0.00015 190 3PZ 0.00007 -0.00047 -0.00012 0.00033 0.00031 191 4XX -0.00001 -0.00004 0.00000 0.00000 0.00002 192 4YY -0.00002 0.00001 0.00002 0.00000 -0.00001 193 4ZZ 0.00003 -0.00001 0.00003 -0.00003 -0.00001 194 4XY 0.00000 -0.00002 -0.00001 0.00002 -0.00001 195 4XZ 0.00005 -0.00004 -0.00003 -0.00004 0.00002 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00001 -0.00002 0.00002 0.00010 0.00003 198 2S 0.00003 -0.00001 0.00015 0.00020 -0.00045 199 22 C 1S -0.00001 -0.00002 -0.00003 -0.00001 0.00002 200 2S -0.00004 0.00007 -0.00028 0.00010 -0.00033 201 2PX 0.00108 -0.00052 -0.00043 -0.00082 0.00030 202 2PY 0.00002 -0.00003 -0.00012 0.00000 -0.00010 203 2PZ 0.00029 -0.00024 -0.00037 -0.00016 0.00013 204 3S 0.00026 0.00025 0.00038 -0.00039 0.00001 205 3PX 0.00075 -0.00039 -0.00066 -0.00057 -0.00008 206 3PY -0.00008 -0.00007 -0.00014 0.00004 -0.00041 207 3PZ 0.00012 -0.00037 -0.00059 0.00006 -0.00015 208 4XX 0.00002 -0.00004 0.00005 -0.00001 0.00003 209 4YY 0.00000 0.00001 -0.00004 0.00001 -0.00004 210 4ZZ -0.00002 0.00003 -0.00005 0.00000 -0.00006 211 4XY -0.00004 -0.00004 -0.00001 0.00006 0.00000 212 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 213 4YZ -0.00001 0.00000 0.00000 0.00001 0.00001 214 23 H 1S -0.00005 0.00006 -0.00022 0.00008 -0.00012 215 2S -0.00002 0.00016 0.00011 -0.00005 0.00037 16 17 18 19 20 16 2 C 1S 2.05393 17 2S -0.07106 0.35893 18 2PX -0.00042 0.00234 0.35083 19 2PY -0.00315 0.00827 0.01828 0.42511 20 2PZ 0.00113 -0.00373 -0.07308 0.01262 0.35656 21 3S -0.14865 0.25178 0.00324 0.04104 0.01455 22 3PX -0.00851 0.00971 0.09902 -0.02225 0.04794 23 3PY -0.06261 0.08421 -0.01335 -0.00906 -0.00452 24 3PZ -0.00688 0.00946 0.04583 -0.01333 0.10196 25 4XX -0.01176 -0.01381 0.00148 0.01380 -0.00163 26 4YY -0.01515 -0.00380 0.00054 -0.01736 0.00105 27 4ZZ -0.01176 -0.01366 -0.00081 0.01484 0.00237 28 4XY -0.00067 0.00224 0.00093 -0.00288 -0.01475 29 4XZ 0.00267 -0.00583 -0.00234 -0.00756 -0.00237 30 4YZ -0.00057 0.00148 -0.01464 -0.00071 0.00227 31 3 C 1S 0.01430 -0.03014 -0.04901 -0.03346 0.03987 32 2S -0.03003 0.05494 0.09857 0.05884 -0.07955 33 2PX 0.04837 -0.10200 -0.08232 -0.11346 0.16452 34 2PY 0.03623 -0.08133 -0.11691 -0.06413 0.08376 35 2PZ -0.04281 0.09185 0.16414 0.08373 -0.06004 36 3S 0.02147 -0.00342 0.13518 0.11996 -0.11690 37 3PX 0.00201 -0.01794 -0.03620 -0.06386 0.09358 38 3PY 0.01943 -0.03211 -0.06600 0.01822 0.04993 39 3PZ 0.00471 0.00731 0.07115 0.06109 -0.02878 40 4XX -0.00240 0.00395 -0.00422 0.00303 -0.00343 41 4YY 0.00050 -0.00235 -0.00166 -0.00969 0.00113 42 4ZZ -0.00068 0.00029 -0.00028 0.00009 0.00747 43 4XY -0.00402 0.00797 0.00489 0.00038 -0.00749 44 4XZ 0.00357 -0.00741 -0.00343 -0.00750 0.00137 45 4YZ 0.00332 -0.00643 -0.00771 -0.00049 0.00269 46 4 C 1S -0.00330 0.00880 0.00738 0.00944 -0.00832 47 2S 0.00758 -0.01833 -0.01898 -0.02334 0.01803 48 2PX -0.00220 0.01244 0.01572 0.00378 0.00753 49 2PY -0.01401 0.03692 0.03465 0.03553 -0.01198 50 2PZ 0.00381 -0.00607 -0.00839 -0.00901 0.01812 51 3S -0.01197 0.00042 -0.01402 -0.07422 0.03482 52 3PX 0.00060 0.00815 0.01174 0.00272 -0.00979 53 3PY 0.00024 0.01060 0.00918 0.04310 -0.00219 54 3PZ -0.00401 0.00426 -0.00199 -0.00673 0.01603 55 4XX -0.00022 0.00062 -0.00028 0.00014 -0.00104 56 4YY -0.00058 0.00104 0.00161 0.00159 -0.00155 57 4ZZ -0.00048 0.00127 0.00123 0.00016 -0.00076 58 4XY -0.00146 0.00307 0.00261 0.00419 -0.00582 59 4XZ -0.00009 0.00021 -0.00062 -0.00002 -0.00082 60 4YZ 0.00140 -0.00291 -0.00607 -0.00272 0.00217 61 5 C 1S -0.00388 0.00590 -0.00034 0.00832 0.00034 62 2S 0.00590 -0.01270 0.00122 -0.02204 0.00223 63 2PX -0.00034 0.00120 -0.02261 0.00185 0.01578 64 2PY -0.00832 0.02204 -0.00188 0.02733 0.00028 65 2PZ 0.00034 0.00223 0.01578 -0.00026 -0.02586 66 3S 0.01969 -0.02696 -0.00129 -0.02664 -0.02064 67 3PX 0.00061 0.00064 -0.00865 0.00270 0.00248 68 3PY -0.01745 0.02245 -0.00196 -0.01005 0.00906 69 3PZ 0.00273 -0.00244 0.00455 0.00303 -0.00810 70 4XX -0.00055 0.00082 -0.00006 0.00004 0.00061 71 4YY -0.00043 -0.00026 -0.00090 -0.00154 -0.00083 72 4ZZ -0.00058 0.00059 0.00078 -0.00022 0.00022 73 4XY 0.00002 -0.00018 0.00063 0.00032 -0.00268 74 4XZ -0.00016 0.00003 -0.00021 -0.00023 -0.00011 75 4YZ -0.00014 -0.00009 -0.00258 0.00057 0.00062 76 6 C 1S -0.00349 0.00919 -0.00691 0.01004 0.00813 77 2S 0.00777 -0.01901 0.01650 -0.02511 -0.02010 78 2PX 0.00387 -0.00739 0.02274 -0.01216 0.00246 79 2PY -0.01409 0.03824 -0.01791 0.03847 0.03016 80 2PZ -0.00387 0.01121 0.00295 0.00590 0.01991 81 3S -0.01427 0.00310 0.01203 -0.08121 0.00087 82 3PX -0.00462 0.00323 0.00847 -0.00898 -0.00029 83 3PY -0.00054 0.01200 -0.00215 0.04248 -0.00033 84 3PZ 0.00399 -0.00002 -0.00435 0.00399 0.00249 85 4XX -0.00040 0.00101 -0.00022 -0.00005 0.00083 86 4YY -0.00047 0.00098 -0.00147 0.00208 0.00193 87 4ZZ -0.00030 0.00083 -0.00081 0.00018 0.00036 88 4XY 0.00145 -0.00300 0.00209 -0.00330 -0.00636 89 4XZ 0.00007 -0.00028 0.00015 -0.00055 -0.00082 90 4YZ -0.00171 0.00347 -0.00614 0.00469 0.00378 91 7 H 1S 0.01118 -0.02464 0.03222 -0.01465 -0.03620 92 2S 0.02051 -0.03682 0.06359 0.00999 -0.06802 93 8 H 1S 0.01057 -0.02370 -0.03593 -0.01179 0.02696 94 2S 0.01894 -0.03653 -0.06586 0.00943 0.05525 95 9 H 1S -0.00715 0.01651 0.02616 0.01592 -0.01422 96 2S -0.00978 0.02054 0.04143 0.02336 -0.02513 97 10 H 1S -0.00870 0.01984 -0.02050 0.02157 0.02622 98 2S -0.01164 0.02370 -0.03374 0.03191 0.04403 99 11 O 1S 0.01198 -0.01352 0.00587 0.04791 0.00441 100 2S -0.02019 0.02283 -0.01437 -0.10931 -0.01152 101 2PX -0.01443 0.02839 0.19029 -0.08777 0.11282 102 2PY -0.10095 0.21650 -0.08651 -0.37726 -0.06845 103 2PZ -0.00994 0.02131 0.11514 -0.06613 0.18700 104 3S -0.01542 -0.03041 0.00372 -0.02843 0.00358 105 3PX -0.00793 0.01419 0.10949 -0.04900 0.08139 106 3PY -0.05778 0.11231 -0.04661 -0.19834 -0.03863 107 3PZ -0.00549 0.01108 0.08265 -0.03827 0.10513 108 4XX 0.00417 -0.00502 0.00431 0.00412 0.00086 109 4YY -0.00877 0.01902 -0.00784 -0.02078 -0.00615 110 4ZZ 0.00428 -0.00521 0.00084 0.00478 0.00280 111 4XY -0.00201 0.00379 0.01673 -0.00675 0.00290 112 4XZ -0.00018 0.00046 0.00202 -0.00184 0.00265 113 4YZ -0.00135 0.00243 0.00293 -0.00488 0.01710 114 12 O 1S -0.00038 0.00090 0.00020 -0.00037 0.00015 115 2S -0.00075 0.00027 -0.00125 -0.00236 -0.00068 116 2PX 0.00016 -0.00113 -0.00827 0.00274 -0.01468 117 2PY 0.00199 -0.00844 -0.00112 -0.00815 -0.00278 118 2PZ -0.00017 -0.00163 -0.01108 0.00276 -0.00524 119 3S 0.01076 -0.01491 0.00148 0.01327 -0.00077 120 3PX 0.00074 -0.00216 -0.00364 0.00219 -0.01308 121 3PY -0.00103 -0.00191 -0.00165 -0.00863 -0.00318 122 3PZ -0.00015 -0.00170 -0.01013 0.00195 -0.00158 123 4XX -0.00071 0.00063 -0.00047 -0.00110 -0.00030 124 4YY -0.00048 0.00076 0.00017 -0.00033 0.00039 125 4ZZ -0.00072 0.00061 -0.00030 -0.00118 -0.00030 126 4XY -0.00001 -0.00006 0.00089 -0.00045 0.00032 127 4XZ 0.00013 -0.00027 -0.00018 -0.00012 -0.00030 128 4YZ 0.00006 -0.00014 0.00017 -0.00031 0.00094 129 13 C 1S 0.00064 -0.00136 -0.00061 -0.00150 0.00306 130 2S -0.00211 0.00349 0.00037 0.00365 -0.00892 131 2PX 0.00170 -0.00527 0.00333 -0.00588 0.01031 132 2PY 0.00108 -0.00467 -0.00379 -0.00228 0.00125 133 2PZ 0.00147 -0.00157 -0.00304 -0.00238 0.00371 134 3S 0.00063 0.00274 0.01973 0.01101 -0.00047 135 3PX -0.00108 -0.00029 0.00328 -0.00306 -0.00235 136 3PY 0.00115 -0.00412 -0.01020 -0.00116 -0.00150 137 3PZ 0.00135 0.00118 0.00966 0.00389 0.01144 138 4XX 0.00049 -0.00099 -0.00024 -0.00091 0.00137 139 4YY -0.00005 0.00020 -0.00003 0.00030 -0.00052 140 4ZZ -0.00027 0.00072 0.00067 0.00084 -0.00067 141 4XY 0.00043 -0.00105 -0.00026 -0.00097 0.00162 142 4XZ 0.00005 -0.00025 -0.00004 -0.00057 0.00080 143 4YZ 0.00013 -0.00068 -0.00046 -0.00054 0.00088 144 14 H 1S 0.00151 -0.00432 0.00005 -0.00482 0.00686 145 2S 0.00321 -0.00689 -0.00474 -0.00783 0.01284 146 15 H 1S -0.00202 0.00337 0.00309 0.00388 -0.00502 147 2S -0.00129 0.00425 0.00711 0.00593 0.00249 148 16 C 1S -0.00136 0.00288 0.00432 0.00208 0.00038 149 2S 0.00375 -0.00716 -0.01331 -0.00152 0.00081 150 2PX -0.00681 0.02261 -0.00004 0.01917 -0.02886 151 2PY -0.00016 0.00133 0.00717 -0.00124 0.00457 152 2PZ -0.00106 0.00430 -0.00636 0.00369 -0.00975 153 3S -0.00551 0.00077 -0.01957 -0.02225 -0.02711 154 3PX -0.00452 0.01466 -0.00839 0.01687 -0.02210 155 3PY -0.00489 0.00248 -0.00684 -0.00706 -0.01080 156 3PZ -0.00601 0.01129 0.01183 0.00024 -0.01489 157 4XX -0.00052 0.00071 0.00315 0.00045 0.00160 158 4YY -0.00010 -0.00007 -0.00189 0.00051 -0.00088 159 4ZZ 0.00006 -0.00030 -0.00090 -0.00002 0.00055 160 4XY -0.00026 0.00075 0.00088 0.00052 -0.00019 161 4XZ 0.00005 0.00030 0.00146 0.00017 0.00114 162 4YZ 0.00006 0.00002 -0.00014 -0.00001 -0.00016 163 17 H 1S 0.00070 -0.00179 -0.01145 0.00064 -0.00600 164 2S -0.00093 -0.00125 -0.00499 0.00275 -0.00139 165 18 C 1S -0.00144 0.00187 0.00260 0.00071 0.00091 166 2S 0.00057 -0.00312 -0.00900 -0.00407 -0.00565 167 2PX -0.00505 0.02017 0.01799 0.01264 -0.00398 168 2PY -0.00049 0.00202 0.00264 -0.00032 0.00265 169 2PZ -0.00281 0.00782 0.01447 0.00578 -0.00472 170 3S 0.01618 -0.01800 -0.01135 0.01254 0.01530 171 3PX -0.00431 0.01439 0.01529 0.00997 0.00035 172 3PY 0.00231 -0.00204 0.00806 0.00197 0.00250 173 3PZ -0.00812 0.01199 0.00447 -0.00264 -0.01759 174 4XX -0.00102 0.00132 0.00095 0.00036 0.00053 175 4YY -0.00047 0.00022 -0.00059 0.00000 -0.00064 176 4ZZ 0.00002 -0.00051 -0.00078 -0.00031 0.00014 177 4XY -0.00009 0.00018 0.00118 -0.00022 0.00154 178 4XZ -0.00001 -0.00031 0.00056 -0.00038 0.00114 179 4YZ 0.00000 0.00000 -0.00017 -0.00016 0.00077 180 19 H 1S 0.00048 -0.00240 -0.00079 -0.00049 -0.00468 181 2S 0.00109 -0.00237 0.01015 0.00067 0.00536 182 20 C 1S 0.00044 -0.00078 0.00151 -0.00140 0.00329 183 2S -0.00118 0.00248 0.00038 0.00421 -0.00767 184 2PX 0.00336 -0.01222 0.00016 -0.01194 0.02321 185 2PY 0.00147 -0.00461 -0.00003 -0.00597 0.00956 186 2PZ 0.00165 -0.00576 0.00477 -0.00572 0.01344 187 3S 0.00165 -0.00238 -0.01536 0.00264 -0.00950 188 3PX 0.00215 -0.00934 0.00057 -0.01215 0.01860 189 3PY -0.00072 0.00217 0.00966 0.00503 0.00568 190 3PZ 0.00456 -0.01138 -0.00857 -0.01036 0.01410 191 4XX 0.00027 -0.00013 0.00020 0.00003 0.00038 192 4YY 0.00010 -0.00015 -0.00001 0.00003 -0.00023 193 4ZZ -0.00012 0.00039 0.00113 0.00034 0.00024 194 4XY 0.00029 -0.00051 -0.00038 -0.00028 0.00035 195 4XZ -0.00007 0.00044 0.00105 0.00010 0.00131 196 4YZ -0.00005 0.00007 -0.00009 -0.00003 -0.00017 197 21 H 1S 0.00092 -0.00307 -0.00209 -0.00300 0.00290 198 2S 0.00199 -0.00613 -0.00549 -0.00822 0.00229 199 22 C 1S 0.00026 0.00003 -0.00032 0.00025 0.00028 200 2S 0.00058 -0.00071 0.00017 0.00070 -0.00099 201 2PX -0.00156 0.00533 0.02103 -0.00099 0.02517 202 2PY -0.00041 -0.00009 0.00288 0.00121 0.00181 203 2PZ -0.00026 0.00136 0.00303 -0.00153 0.00756 204 3S -0.01012 0.01397 0.01175 -0.00156 -0.00530 205 3PX -0.00148 0.00495 0.01656 0.00153 0.01677 206 3PY 0.00247 -0.00264 0.00431 0.00287 0.00215 207 3PZ 0.00419 -0.00568 -0.00101 -0.00148 0.01207 208 4XX 0.00025 -0.00021 0.00027 0.00019 0.00058 209 4YY 0.00018 -0.00022 -0.00028 -0.00020 0.00004 210 4ZZ -0.00004 0.00035 0.00011 0.00081 -0.00096 211 4XY 0.00019 -0.00100 -0.00076 -0.00072 0.00061 212 4XZ -0.00004 0.00020 -0.00004 0.00019 -0.00045 213 4YZ 0.00005 -0.00024 -0.00072 -0.00012 -0.00007 214 23 H 1S -0.00011 0.00004 -0.00185 0.00036 -0.00162 215 2S -0.00126 0.00225 -0.00310 0.00171 -0.00367 21 22 23 24 25 21 3S 0.22047 22 3PX 0.01065 0.05211 23 3PY 0.05837 0.00020 0.03644 24 3PZ 0.01066 0.03074 0.00022 0.05180 25 4XX -0.00733 -0.00229 -0.00509 -0.00083 0.00204 26 4YY -0.00677 0.00227 0.00275 0.00145 -0.00101 27 4ZZ -0.00691 -0.00094 -0.00474 -0.00130 0.00091 28 4XY -0.00141 -0.00606 0.00023 -0.00187 0.00044 29 4XZ -0.00402 -0.00075 -0.00027 -0.00117 -0.00021 30 4YZ 0.00093 -0.00162 0.00093 -0.00586 -0.00038 31 3 C 1S 0.01050 0.00683 0.00871 -0.00530 -0.00256 32 2S 0.00990 0.00251 0.00752 0.00240 0.00355 33 2PX -0.08717 0.01180 -0.03669 0.02632 0.00821 34 2PY -0.06267 -0.01233 0.02127 0.00809 -0.00660 35 2PZ 0.07431 0.02613 0.02421 0.01753 0.00597 36 3S -0.04750 -0.01867 -0.02522 0.00536 0.01386 37 3PX -0.01688 0.01174 -0.00860 0.01651 0.00442 38 3PY -0.01980 -0.01055 0.00081 0.00062 -0.00077 39 3PZ 0.00296 0.00364 -0.00393 0.00442 0.00719 40 4XX 0.00430 -0.00200 0.00088 -0.00233 -0.00002 41 4YY -0.00247 0.00071 0.00095 0.00046 -0.00046 42 4ZZ 0.00054 0.00149 -0.00166 0.00201 0.00006 43 4XY 0.00504 0.00040 0.00196 -0.00169 -0.00009 44 4XZ -0.00457 -0.00046 -0.00148 -0.00021 0.00006 45 4YZ -0.00690 -0.00270 -0.00189 -0.00071 0.00036 46 4 C 1S -0.00274 -0.00029 -0.01160 -0.00426 0.00037 47 2S -0.01121 -0.00379 0.01306 0.00969 -0.00096 48 2PX -0.00368 0.01025 -0.00392 -0.00610 0.00582 49 2PY 0.05527 0.00600 -0.01755 -0.00286 0.00458 50 2PZ -0.04139 -0.01608 0.00212 0.01369 0.00358 51 3S 0.01574 0.00107 0.02642 0.02458 -0.00367 52 3PX -0.01214 0.00356 -0.00171 -0.00870 0.00373 53 3PY 0.01291 -0.00779 -0.00919 0.00261 0.00483 54 3PZ -0.01253 -0.00653 0.00437 0.00963 0.00226 55 4XX 0.00056 -0.00030 -0.00034 -0.00050 -0.00001 56 4YY -0.00024 0.00004 0.00033 -0.00010 0.00004 57 4ZZ 0.00168 0.00063 -0.00095 -0.00055 0.00004 58 4XY 0.00285 -0.00023 0.00143 -0.00105 -0.00031 59 4XZ -0.00023 -0.00051 0.00009 -0.00024 -0.00008 60 4YZ -0.00373 -0.00150 -0.00094 -0.00031 -0.00024 61 5 C 1S 0.01969 0.00060 0.01745 0.00273 -0.00055 62 2S -0.02696 0.00065 -0.02245 -0.00244 0.00082 63 2PX -0.00131 -0.00866 0.00196 0.00456 -0.00006 64 2PY 0.02665 -0.00270 -0.01004 -0.00303 -0.00004 65 2PZ -0.02063 0.00249 -0.00906 -0.00810 0.00061 66 3S -0.04381 -0.00413 -0.02727 -0.01050 0.00112 67 3PX -0.00415 0.00236 -0.00177 -0.00551 -0.00045 68 3PY 0.02726 0.00176 0.00388 0.00458 -0.00091 69 3PZ -0.01050 -0.00550 -0.00459 0.00352 0.00088 70 4XX 0.00112 -0.00046 0.00091 0.00088 0.00038 71 4YY -0.00088 0.00008 0.00105 -0.00032 -0.00026 72 4ZZ 0.00195 0.00054 0.00055 -0.00002 -0.00026 73 4XY -0.00017 0.00203 -0.00034 -0.00242 0.00014 74 4XZ -0.00079 -0.00007 0.00008 -0.00029 -0.00012 75 4YZ 0.00181 -0.00213 0.00039 0.00213 -0.00005 76 6 C 1S 0.00151 -0.00261 -0.00908 -0.00006 0.00031 77 2S -0.01516 0.00755 0.01304 -0.00315 -0.00058 78 2PX -0.04151 0.01562 -0.00698 -0.01248 -0.00549 79 2PY 0.05009 -0.01000 -0.02558 0.00626 0.00179 80 2PZ 0.03066 -0.01372 0.00149 0.01734 -0.00476 81 3S 0.00302 0.01677 0.01777 0.00378 -0.00224 82 3PX -0.01007 0.00575 -0.00139 -0.00747 -0.00389 83 3PY 0.01715 -0.00019 -0.00892 -0.00830 0.00060 84 3PZ 0.00211 -0.01165 -0.00174 0.00375 -0.00300 85 4XX 0.00082 -0.00037 -0.00088 0.00037 0.00002 86 4YY 0.00027 -0.00005 0.00058 0.00018 0.00003 87 4ZZ 0.00150 -0.00048 -0.00062 0.00013 0.00004 88 4XY -0.00427 -0.00019 -0.00167 -0.00164 0.00039 89 4XZ -0.00072 0.00029 0.00009 -0.00054 -0.00003 90 4YZ 0.00508 -0.00123 0.00213 0.00037 0.00003 91 7 H 1S -0.04028 -0.00038 -0.03063 -0.00822 0.00413 92 2S -0.04595 -0.00196 -0.03041 -0.00901 0.00500 93 8 H 1S -0.03546 -0.00773 -0.02342 -0.00017 0.00230 94 2S -0.03512 -0.00880 -0.02089 -0.00286 0.00104 95 9 H 1S 0.03718 0.01238 -0.00065 -0.00518 0.00091 96 2S 0.03359 0.01506 -0.00189 -0.00805 0.00105 97 10 H 1S 0.04564 -0.01160 0.00411 0.01358 -0.00005 98 2S 0.04649 -0.01255 0.00529 0.01612 -0.00038 99 11 O 1S 0.03099 0.00006 -0.00118 0.00036 0.00509 100 2S -0.07942 0.00283 0.02826 0.00024 -0.01122 101 2PX 0.04187 0.13954 0.00959 0.04628 -0.01350 102 2PY 0.15589 -0.01118 0.06286 -0.01370 -0.01760 103 2PZ 0.01338 0.04686 0.00230 0.13647 0.00004 104 3S -0.13615 0.00640 0.02986 0.00447 -0.00940 105 3PX 0.02572 0.08947 0.00684 0.02801 -0.00906 106 3PY 0.08296 -0.00706 0.03557 -0.00797 -0.00908 107 3PZ 0.00579 0.02801 0.00151 0.08694 0.00042 108 4XX -0.00142 0.00144 -0.00253 0.00040 0.00045 109 4YY 0.01497 -0.00208 0.00434 -0.00201 -0.00105 110 4ZZ -0.00172 -0.00002 -0.00255 0.00092 0.00048 111 4XY 0.00348 0.00853 0.00078 0.00347 -0.00072 112 4XZ -0.00004 0.00139 0.00044 0.00156 -0.00018 113 4YZ 0.00210 0.00356 0.00041 0.00842 -0.00018 114 12 O 1S -0.00314 0.00030 -0.00210 -0.00068 0.00011 115 2S 0.00508 -0.00102 -0.00112 0.00025 -0.00031 116 2PX -0.00512 0.02021 -0.00962 -0.02682 0.00055 117 2PY 0.00053 0.00203 0.01967 0.00398 0.00035 118 2PZ 0.00700 -0.02099 -0.00376 0.02331 0.00017 119 3S -0.00883 -0.00035 0.00963 0.00138 0.00016 120 3PX -0.00387 0.01471 -0.00586 -0.01910 0.00045 121 3PY 0.00400 0.00089 0.00833 0.00149 0.00018 122 3PZ 0.00700 -0.01461 -0.00105 0.01670 -0.00001 123 4XX 0.00061 0.00008 0.00014 -0.00022 -0.00001 124 4YY 0.00021 -0.00007 -0.00181 -0.00021 0.00000 125 4ZZ 0.00079 -0.00019 0.00013 0.00014 -0.00008 126 4XY 0.00021 -0.00051 0.00059 0.00101 -0.00004 127 4XZ -0.00042 -0.00008 -0.00005 -0.00006 -0.00002 128 4YZ 0.00016 0.00080 0.00055 -0.00061 -0.00003 129 13 C 1S -0.00289 -0.00033 -0.00299 0.00119 0.00060 130 2S 0.01125 0.00092 0.00446 -0.00560 -0.00134 131 2PX -0.00942 0.00366 -0.00949 0.00960 0.00191 132 2PY -0.00536 -0.00409 -0.00439 0.00894 0.00052 133 2PZ -0.01567 -0.00576 -0.01060 0.00489 0.00015 134 3S 0.01217 0.01277 0.00666 -0.00032 -0.00270 135 3PX -0.00062 0.00057 -0.00629 0.00307 0.00058 136 3PY -0.00564 -0.00635 -0.00402 0.00229 0.00076 137 3PZ -0.00655 0.00406 -0.00372 0.00710 0.00023 138 4XX -0.00138 -0.00005 -0.00167 0.00048 0.00041 139 4YY -0.00018 -0.00048 0.00011 0.00009 -0.00013 140 4ZZ 0.00138 0.00043 0.00119 -0.00020 -0.00018 141 4XY -0.00018 0.00024 -0.00065 0.00011 0.00020 142 4XZ -0.00047 0.00019 -0.00012 0.00036 0.00010 143 4YZ 0.00034 0.00002 -0.00027 0.00038 0.00013 144 14 H 1S -0.00679 0.00153 -0.00855 0.00455 0.00171 145 2S -0.01253 -0.00031 -0.00978 0.00444 0.00336 146 15 H 1S 0.01481 0.00503 0.01013 -0.00493 -0.00105 147 2S 0.01037 0.00615 0.00916 0.00029 -0.00065 148 16 C 1S 0.00675 0.00417 -0.00115 0.00040 -0.00087 149 2S -0.01192 -0.01172 -0.00822 -0.00203 0.00106 150 2PX 0.00049 -0.00408 0.02699 -0.00709 -0.00744 151 2PY 0.00376 0.00956 -0.00356 -0.00692 -0.00003 152 2PZ -0.01262 -0.00328 -0.00010 0.00332 -0.00284 153 3S -0.00613 -0.02020 -0.00774 -0.00773 0.00093 154 3PX -0.00241 -0.00865 0.01540 -0.00639 -0.00439 155 3PY 0.00129 -0.00146 -0.00093 -0.00806 -0.00056 156 3PZ -0.00284 0.00266 0.00689 0.00151 -0.00317 157 4XX 0.00100 0.00146 -0.00043 0.00094 0.00028 158 4YY 0.00012 -0.00108 0.00055 -0.00043 -0.00016 159 4ZZ -0.00041 0.00014 0.00036 -0.00017 -0.00002 160 4XY 0.00064 0.00043 0.00030 -0.00005 -0.00009 161 4XZ -0.00122 0.00032 0.00041 0.00086 0.00022 162 4YZ -0.00085 -0.00029 -0.00021 0.00039 -0.00002 163 17 H 1S -0.00508 -0.01119 0.00207 0.00121 -0.00034 164 2S -0.00410 -0.00232 0.00432 0.00095 -0.00177 165 18 C 1S 0.00559 0.00231 0.00034 0.00157 -0.00044 166 2S -0.00772 -0.00405 -0.00210 -0.00274 -0.00012 167 2PX -0.01535 0.00010 0.02409 0.00829 -0.00075 168 2PY -0.00413 0.00316 0.00574 0.00007 -0.00001 169 2PZ 0.01046 0.00309 0.01437 -0.00039 0.00045 170 3S -0.00791 -0.00153 -0.00783 -0.00163 0.00274 171 3PX -0.00831 0.00171 0.01633 0.00653 0.00035 172 3PY 0.00050 0.00383 0.00023 0.00035 0.00042 173 3PZ 0.00184 -0.00276 0.00989 -0.00336 -0.00056 174 4XX 0.00069 0.00050 0.00069 0.00041 -0.00017 175 4YY 0.00047 -0.00019 0.00068 -0.00023 -0.00003 176 4ZZ 0.00007 -0.00039 -0.00082 -0.00028 0.00017 177 4XY 0.00052 0.00058 0.00031 0.00068 0.00022 178 4XZ 0.00028 0.00033 -0.00062 0.00041 0.00027 179 4YZ -0.00108 -0.00029 -0.00012 0.00069 0.00007 180 19 H 1S 0.00743 -0.00081 -0.00061 -0.00382 0.00036 181 2S 0.00909 0.00499 -0.00064 0.00098 0.00006 182 20 C 1S -0.00332 0.00017 -0.00104 0.00150 0.00055 183 2S 0.00738 -0.00013 0.00454 -0.00123 -0.00108 184 2PX -0.00072 0.00367 -0.00101 0.01202 0.00053 185 2PY -0.00437 0.00482 -0.00079 0.00116 0.00033 186 2PZ 0.01389 0.00874 0.00150 0.00149 0.00095 187 3S 0.00593 -0.00859 0.00173 -0.00332 -0.00076 188 3PX 0.00115 0.00307 -0.00133 0.00777 0.00047 189 3PY -0.00063 0.00529 0.00141 0.00334 -0.00030 190 3PZ 0.00180 0.00206 -0.00196 0.00038 0.00116 191 4XX -0.00114 -0.00020 -0.00074 0.00030 0.00017 192 4YY -0.00033 0.00007 -0.00013 -0.00032 -0.00013 193 4ZZ 0.00089 0.00056 0.00059 0.00010 0.00008 194 4XY -0.00037 0.00005 -0.00012 -0.00020 0.00005 195 4XZ -0.00028 0.00033 0.00039 0.00054 0.00027 196 4YZ 0.00004 -0.00022 -0.00002 -0.00003 -0.00001 197 21 H 1S -0.00232 0.00174 0.00054 0.00017 -0.00052 198 2S -0.00414 0.00245 -0.00149 -0.00295 -0.00005 199 22 C 1S -0.00184 -0.00147 -0.00387 0.00010 0.00006 200 2S 0.00456 0.00215 0.00563 -0.00100 0.00027 201 2PX 0.00101 0.00842 0.01536 0.01440 0.00348 202 2PY 0.01007 0.00149 -0.00192 0.00095 0.00021 203 2PZ -0.01319 -0.00251 0.00208 0.00672 0.00128 204 3S 0.00439 0.00364 0.01006 0.00329 -0.00112 205 3PX 0.00078 0.00590 0.00957 0.01019 0.00312 206 3PY 0.00563 0.00264 -0.00179 -0.00048 0.00103 207 3PZ -0.00560 -0.00009 0.00041 0.00390 0.00193 208 4XX -0.00020 0.00010 -0.00022 0.00025 0.00001 209 4YY -0.00059 0.00001 -0.00012 -0.00004 -0.00001 210 4ZZ 0.00060 -0.00019 -0.00001 -0.00025 -0.00002 211 4XY 0.00072 0.00014 -0.00088 -0.00021 0.00004 212 4XZ -0.00046 -0.00018 -0.00018 -0.00029 0.00004 213 4YZ -0.00063 -0.00037 -0.00059 -0.00002 -0.00002 214 23 H 1S -0.00204 -0.00201 -0.00070 0.00068 -0.00006 215 2S -0.00312 -0.00357 -0.00160 0.00062 -0.00085 26 27 28 29 30 26 4YY 0.00224 27 4ZZ -0.00086 0.00197 28 4XY -0.00008 -0.00059 0.00342 29 4XZ 0.00057 -0.00027 0.00028 0.00061 30 4YZ -0.00006 0.00032 -0.00139 0.00036 0.00360 31 3 C 1S 0.00093 -0.00098 -0.00529 0.00362 0.00555 32 2S -0.00244 0.00037 0.00977 -0.00645 -0.01060 33 2PX 0.00062 -0.00106 -0.00520 0.00195 0.01504 34 2PY 0.01290 -0.00253 -0.00363 0.00638 0.00449 35 2PZ -0.00266 -0.01043 0.01263 0.00168 -0.00354 36 3S -0.00699 0.00157 0.02525 -0.00723 -0.02373 37 3PX -0.00041 -0.00298 -0.00197 0.00089 0.01027 38 3PY 0.00247 0.00096 -0.00002 0.00159 -0.00039 39 3PZ -0.00313 -0.00337 0.00878 0.00091 -0.00046 40 4XX -0.00022 -0.00016 0.00003 0.00012 0.00036 41 4YY 0.00071 -0.00032 -0.00025 0.00028 0.00022 42 4ZZ -0.00026 0.00030 -0.00047 -0.00018 0.00019 43 4XY -0.00010 -0.00045 0.00043 -0.00003 0.00011 44 4XZ 0.00037 -0.00017 0.00003 0.00047 0.00028 45 4YZ -0.00013 0.00048 -0.00014 -0.00016 0.00034 46 4 C 1S -0.00186 0.00073 -0.00042 -0.00047 -0.00040 47 2S 0.00374 -0.00160 0.00085 0.00110 0.00045 48 2PX -0.00206 -0.00272 0.00194 -0.00047 0.00551 49 2PY -0.00969 0.00168 -0.00170 -0.00175 0.00266 50 2PZ -0.00003 -0.00254 0.00197 -0.00053 0.00284 51 3S 0.00454 -0.00364 -0.00539 0.00240 0.00843 52 3PX -0.00108 -0.00183 0.00152 -0.00041 0.00429 53 3PY -0.00468 0.00038 0.00473 -0.00147 -0.00301 54 3PZ -0.00093 -0.00147 0.00109 -0.00044 0.00287 55 4XX -0.00015 0.00005 -0.00018 -0.00007 -0.00015 56 4YY 0.00012 -0.00003 0.00022 -0.00013 -0.00023 57 4ZZ -0.00029 0.00011 0.00001 -0.00001 0.00009 58 4XY 0.00001 0.00007 0.00013 -0.00008 -0.00063 59 4XZ 0.00012 0.00000 -0.00002 -0.00001 -0.00012 60 4YZ 0.00013 0.00036 -0.00049 -0.00011 0.00006 61 5 C 1S -0.00043 -0.00058 -0.00002 -0.00016 0.00014 62 2S -0.00026 0.00059 0.00018 0.00003 0.00009 63 2PX -0.00090 0.00078 -0.00063 -0.00021 0.00258 64 2PY 0.00154 0.00022 0.00032 0.00023 0.00057 65 2PZ -0.00083 0.00022 0.00269 -0.00011 -0.00062 66 3S -0.00088 0.00195 0.00017 -0.00079 -0.00182 67 3PX 0.00007 0.00054 -0.00203 -0.00007 0.00213 68 3PY -0.00105 -0.00055 -0.00034 -0.00008 0.00039 69 3PZ -0.00031 -0.00002 0.00242 -0.00029 -0.00213 70 4XX -0.00026 -0.00026 -0.00014 -0.00012 0.00005 71 4YY 0.00060 -0.00023 -0.00001 0.00013 -0.00006 72 4ZZ -0.00023 0.00029 0.00024 0.00006 0.00009 73 4XY 0.00001 -0.00024 -0.00037 -0.00008 -0.00039 74 4XZ 0.00013 0.00006 0.00008 0.00003 0.00005 75 4YZ 0.00006 -0.00009 -0.00039 -0.00005 -0.00036 76 6 C 1S -0.00177 0.00090 -0.00013 -0.00044 -0.00020 77 2S 0.00373 -0.00197 0.00035 0.00101 0.00046 78 2PX 0.00018 0.00611 0.00667 0.00198 0.00590 79 2PY -0.00904 0.00313 0.00131 -0.00134 -0.00186 80 2PZ -0.00135 0.00608 0.00671 0.00160 0.00373 81 3S 0.00431 -0.00542 0.00595 0.00195 -0.00601 82 3PX -0.00070 0.00407 0.00492 0.00146 0.00406 83 3PY -0.00335 0.00278 -0.00370 -0.00062 0.00491 84 3PZ -0.00024 0.00408 0.00559 0.00126 0.00251 85 4XX -0.00024 0.00009 0.00013 -0.00001 0.00001 86 4YY 0.00007 0.00006 -0.00019 -0.00013 0.00025 87 4ZZ -0.00022 0.00002 -0.00002 -0.00003 -0.00014 88 4XY 0.00004 -0.00023 0.00010 -0.00009 -0.00053 89 4XZ 0.00014 -0.00003 -0.00004 0.00002 0.00003 90 4YZ -0.00006 -0.00025 -0.00062 -0.00006 0.00021 91 7 H 1S -0.00416 0.00485 0.00140 -0.00429 -0.00182 92 2S -0.00354 0.00362 0.00601 -0.00271 -0.00711 93 8 H 1S -0.00360 0.00647 -0.00324 -0.00507 -0.00014 94 2S -0.00278 0.00711 -0.00740 -0.00292 0.00559 95 9 H 1S -0.00236 0.00004 0.00068 0.00013 0.00003 96 2S -0.00298 0.00016 0.00217 -0.00003 -0.00115 97 10 H 1S -0.00227 0.00058 -0.00075 -0.00019 0.00039 98 2S -0.00285 0.00120 -0.00265 -0.00051 0.00177 99 11 O 1S -0.01296 0.00527 -0.00271 -0.00171 -0.00167 100 2S 0.02386 -0.01174 0.00554 0.00378 0.00334 101 2PX 0.00840 0.00051 -0.04057 -0.00219 0.01190 102 2PY 0.00552 -0.01942 0.00816 0.00442 0.00428 103 2PZ 0.00503 -0.00804 0.01231 -0.00463 -0.04301 104 3S 0.02828 -0.00949 0.00450 0.00377 0.00282 105 3PX 0.00561 0.00100 -0.02889 -0.00157 0.00907 106 3PY 0.00258 -0.01015 0.00478 0.00254 0.00230 107 3PZ 0.00333 -0.00538 0.00940 -0.00320 -0.03056 108 4XX -0.00048 0.00047 -0.00047 -0.00008 -0.00003 109 4YY -0.00017 -0.00119 0.00064 0.00014 0.00038 110 4ZZ -0.00054 0.00054 -0.00007 -0.00010 -0.00037 111 4XY 0.00046 -0.00022 -0.00159 -0.00014 0.00005 112 4XZ 0.00029 -0.00017 -0.00011 0.00002 -0.00022 113 4YZ 0.00030 -0.00040 0.00007 -0.00024 -0.00168 114 12 O 1S -0.00036 0.00008 -0.00004 0.00002 -0.00007 115 2S 0.00118 -0.00004 0.00015 0.00014 0.00018 116 2PX 0.00129 -0.00201 -0.00309 -0.00033 -0.00376 117 2PY -0.00244 -0.00065 -0.00113 -0.00072 -0.00102 118 2PZ 0.00103 -0.00131 -0.00332 -0.00019 -0.00260 119 3S 0.00191 -0.00024 0.00017 0.00028 0.00032 120 3PX 0.00102 -0.00161 -0.00218 -0.00023 -0.00320 121 3PY -0.00163 -0.00034 -0.00081 -0.00052 -0.00086 122 3PZ 0.00086 -0.00102 -0.00288 -0.00010 -0.00178 123 4XX -0.00005 -0.00006 -0.00006 -0.00002 -0.00004 124 4YY 0.00005 0.00007 0.00005 0.00003 0.00005 125 4ZZ -0.00006 0.00000 0.00001 0.00001 -0.00001 126 4XY -0.00003 0.00005 0.00013 0.00002 0.00009 127 4XZ 0.00006 -0.00001 -0.00003 0.00001 -0.00003 128 4YZ -0.00002 0.00004 0.00008 0.00001 0.00012 129 13 C 1S -0.00009 -0.00024 0.00034 -0.00002 0.00044 130 2S 0.00022 0.00055 -0.00021 0.00001 -0.00119 131 2PX -0.00066 -0.00129 0.00113 0.00019 0.00136 132 2PY -0.00066 -0.00016 0.00000 0.00013 0.00001 133 2PZ 0.00008 0.00060 -0.00047 -0.00009 0.00020 134 3S 0.00105 0.00113 -0.00332 -0.00059 -0.00214 135 3PX -0.00031 -0.00059 0.00077 0.00026 -0.00027 136 3PY -0.00069 -0.00013 0.00071 0.00022 0.00027 137 3PZ -0.00036 0.00062 -0.00143 -0.00083 -0.00010 138 4XX -0.00013 -0.00017 0.00018 0.00005 0.00028 139 4YY 0.00004 0.00008 -0.00005 0.00000 -0.00012 140 4ZZ -0.00001 0.00010 -0.00002 -0.00005 -0.00014 141 4XY -0.00004 -0.00010 0.00014 0.00011 0.00024 142 4XZ -0.00002 -0.00007 0.00006 0.00000 0.00012 143 4YZ -0.00006 -0.00006 0.00008 0.00005 0.00016 144 14 H 1S -0.00056 -0.00096 0.00079 0.00021 0.00127 145 2S -0.00096 -0.00171 0.00141 0.00031 0.00297 146 15 H 1S 0.00011 0.00017 -0.00015 -0.00011 -0.00071 147 2S -0.00032 0.00048 -0.00034 -0.00066 -0.00077 148 16 C 1S 0.00005 0.00007 -0.00029 -0.00054 -0.00047 149 2S -0.00024 0.00007 0.00036 0.00111 0.00084 150 2PX 0.00287 0.00374 -0.00420 -0.00264 -0.00591 151 2PY -0.00021 0.00032 0.00016 -0.00013 0.00064 152 2PZ 0.00044 0.00170 -0.00228 -0.00074 -0.00194 153 3S 0.00029 -0.00215 0.00275 0.00218 0.00034 154 3PX 0.00106 0.00301 -0.00073 -0.00173 -0.00413 155 3PY 0.00053 -0.00027 -0.00036 0.00042 0.00134 156 3PZ 0.00151 0.00070 -0.00208 -0.00074 -0.00222 157 4XX -0.00014 -0.00016 0.00022 -0.00004 0.00008 158 4YY 0.00007 0.00009 -0.00009 0.00003 -0.00009 159 4ZZ -0.00005 0.00010 -0.00006 -0.00006 0.00010 160 4XY -0.00004 0.00009 -0.00007 -0.00008 -0.00007 161 4XZ -0.00010 -0.00003 0.00008 -0.00017 0.00005 162 4YZ -0.00001 0.00002 -0.00006 -0.00001 -0.00002 163 17 H 1S 0.00047 0.00009 -0.00032 0.00043 -0.00049 164 2S 0.00150 0.00061 -0.00357 0.00000 0.00035 165 18 C 1S -0.00040 -0.00054 0.00001 -0.00042 -0.00018 166 2S 0.00015 0.00037 -0.00058 0.00053 -0.00009 167 2PX -0.00003 0.00040 -0.00048 -0.00305 -0.00152 168 2PY 0.00029 -0.00041 -0.00001 -0.00042 -0.00023 169 2PZ 0.00025 -0.00045 0.00084 -0.00090 -0.00073 170 3S -0.00191 0.00106 0.00167 0.00071 0.00187 171 3PX -0.00026 -0.00016 -0.00034 -0.00236 -0.00118 172 3PY -0.00007 -0.00023 0.00078 0.00020 0.00006 173 3PZ 0.00064 -0.00073 -0.00012 -0.00054 -0.00040 174 4XX 0.00006 0.00004 -0.00008 -0.00009 -0.00006 175 4YY 0.00005 -0.00002 -0.00006 -0.00003 -0.00008 176 4ZZ -0.00005 -0.00007 0.00006 0.00007 0.00007 177 4XY -0.00010 -0.00013 0.00015 0.00001 0.00021 178 4XZ -0.00010 -0.00018 0.00020 0.00007 0.00019 179 4YZ -0.00005 -0.00006 0.00001 -0.00001 0.00007 180 19 H 1S 0.00005 0.00011 0.00035 0.00052 0.00007 181 2S 0.00017 0.00037 0.00042 0.00022 -0.00055 182 20 C 1S -0.00007 -0.00023 0.00030 0.00014 0.00058 183 2S 0.00031 0.00081 -0.00080 -0.00033 -0.00117 184 2PX -0.00031 -0.00070 0.00160 0.00142 0.00250 185 2PY 0.00002 -0.00072 0.00075 0.00040 0.00108 186 2PZ 0.00010 -0.00059 0.00130 0.00077 0.00168 187 3S 0.00081 0.00051 0.00018 -0.00004 -0.00270 188 3PX -0.00027 -0.00046 0.00179 0.00149 0.00331 189 3PY -0.00040 0.00056 -0.00123 -0.00052 0.00080 190 3PZ 0.00023 -0.00081 0.00148 0.00111 0.00224 191 4XX -0.00009 -0.00005 0.00004 -0.00001 0.00016 192 4YY 0.00004 0.00007 -0.00004 0.00002 -0.00006 193 4ZZ -0.00006 -0.00004 0.00008 -0.00002 0.00009 194 4XY 0.00005 -0.00005 0.00003 0.00004 0.00005 195 4XZ -0.00012 -0.00015 0.00014 -0.00003 0.00029 196 4YZ 0.00001 -0.00001 -0.00001 0.00000 -0.00001 197 21 H 1S 0.00028 0.00000 0.00009 0.00024 0.00001 198 2S 0.00052 -0.00071 0.00059 0.00067 0.00008 199 22 C 1S 0.00011 0.00020 0.00002 0.00008 0.00009 200 2S 0.00022 -0.00028 -0.00025 -0.00009 -0.00045 201 2PX -0.00131 -0.00224 0.00276 -0.00053 0.00383 202 2PY -0.00029 -0.00015 0.00023 0.00008 0.00030 203 2PZ -0.00070 -0.00119 0.00045 -0.00029 0.00113 204 3S -0.00002 0.00012 -0.00112 -0.00096 -0.00040 205 3PX -0.00120 -0.00213 0.00174 -0.00039 0.00278 206 3PY -0.00041 -0.00051 0.00076 0.00030 0.00037 207 3PZ -0.00030 -0.00123 0.00105 0.00017 0.00103 208 4XX -0.00002 0.00001 0.00007 0.00003 0.00008 209 4YY 0.00002 -0.00002 -0.00006 0.00001 -0.00003 210 4ZZ 0.00000 0.00002 -0.00012 -0.00005 -0.00014 211 4XY 0.00002 -0.00004 0.00005 0.00015 0.00012 212 4XZ 0.00000 -0.00001 0.00002 -0.00002 -0.00001 213 4YZ -0.00001 0.00001 -0.00007 0.00003 0.00001 214 23 H 1S -0.00011 -0.00016 -0.00053 -0.00012 -0.00038 215 2S -0.00016 0.00054 -0.00077 -0.00020 -0.00034 31 32 33 34 35 31 3 C 1S 2.05568 32 2S -0.05950 0.31926 33 2PX 0.00296 -0.00999 0.35918 34 2PY 0.00291 -0.00011 0.00505 0.42056 35 2PZ 0.00372 -0.00841 -0.03787 0.00975 0.38844 36 3S -0.23341 0.34054 -0.01470 -0.07885 0.06719 37 3PX -0.00047 0.00475 0.21736 -0.00154 0.02302 38 3PY -0.00473 -0.00240 -0.00525 0.13044 -0.01737 39 3PZ -0.01464 0.00449 0.02887 -0.01731 0.19503 40 4XX -0.01278 -0.01075 -0.00469 -0.00542 0.00409 41 4YY -0.01643 -0.00195 0.00160 0.01322 -0.00056 42 4ZZ -0.01568 -0.00419 0.00606 -0.01175 -0.00724 43 4XY -0.00032 0.00080 -0.00273 -0.00300 0.01060 44 4XZ 0.00386 -0.00785 0.00423 0.00772 0.00204 45 4YZ -0.00249 0.00482 0.00993 -0.00267 -0.01181 46 4 C 1S 0.01654 -0.03534 -0.00990 -0.07771 -0.00848 47 2S -0.03534 0.06310 0.01879 0.15750 0.01464 48 2PX -0.00994 0.01887 0.14406 -0.01398 0.08711 49 2PY 0.07771 -0.15750 0.01423 -0.31930 0.01097 50 2PZ -0.00847 0.01461 0.08712 -0.01098 0.08460 51 3S 0.03072 -0.01027 0.05373 0.13474 0.04028 52 3PX -0.01140 0.01592 0.09003 -0.01086 0.06347 53 3PY -0.00387 -0.01432 0.01441 -0.11232 0.02763 54 3PZ 0.00404 0.00311 0.06814 -0.02131 0.05206 55 4XX 0.00244 -0.00551 -0.00272 -0.00853 -0.00203 56 4YY -0.00645 0.01086 0.00005 0.00629 0.00002 57 4ZZ 0.00258 -0.00613 -0.00015 -0.01011 -0.00084 58 4XY -0.00043 0.00093 -0.01290 0.00161 -0.00037 59 4XZ -0.00070 0.00139 -0.00126 0.00196 -0.00103 60 4YZ -0.00041 0.00058 0.00039 -0.00096 -0.01298 61 5 C 1S -0.00330 0.00758 -0.00221 0.01401 0.00381 62 2S 0.00880 -0.01833 0.01247 -0.03691 -0.00607 63 2PX 0.00739 -0.01900 0.01574 -0.03466 -0.00841 64 2PY -0.00944 0.02333 -0.00379 0.03549 0.00901 65 2PZ -0.00832 0.01803 0.00753 0.01198 0.01812 66 3S -0.00274 -0.01122 -0.00367 -0.05527 -0.04140 67 3PX -0.00030 -0.00378 0.01025 -0.00598 -0.01607 68 3PY 0.01160 -0.01306 0.00395 -0.01755 -0.00213 69 3PZ -0.00426 0.00969 -0.00609 0.00286 0.01369 70 4XX 0.00037 -0.00096 0.00583 -0.00457 0.00358 71 4YY -0.00186 0.00374 -0.00206 0.00969 -0.00003 72 4ZZ 0.00073 -0.00160 -0.00272 -0.00168 -0.00254 73 4XY 0.00042 -0.00085 -0.00193 -0.00171 -0.00197 74 4XZ -0.00047 0.00110 -0.00046 0.00175 -0.00053 75 4YZ 0.00040 -0.00045 -0.00551 0.00266 -0.00284 76 6 C 1S -0.00073 0.00097 -0.00512 0.00244 0.00084 77 2S 0.00028 -0.00164 0.01359 -0.00594 0.00011 78 2PX 0.00242 -0.00754 -0.00857 -0.00493 -0.02033 79 2PY -0.00158 0.00270 -0.00621 0.00208 0.00775 80 2PZ -0.00221 0.00499 -0.03004 0.01365 -0.01445 81 3S 0.00701 0.00151 0.02422 -0.00662 -0.00650 82 3PX 0.00548 -0.00814 -0.01207 -0.00156 -0.01268 83 3PY -0.00245 -0.00245 0.00125 0.00848 0.00437 84 3PZ -0.00490 0.00590 -0.02076 0.00883 -0.01396 85 4XX -0.00017 0.00004 0.00068 -0.00065 0.00079 86 4YY 0.00007 0.00004 0.00094 0.00075 -0.00007 87 4ZZ -0.00003 -0.00017 -0.00112 -0.00008 -0.00043 88 4XY -0.00038 0.00097 -0.00074 -0.00187 0.00148 89 4XZ -0.00017 0.00024 -0.00008 0.00059 -0.00054 90 4YZ 0.00044 -0.00104 0.00119 0.00155 -0.00154 91 7 H 1S -0.00680 0.01425 -0.02059 -0.00870 0.01857 92 2S -0.01484 0.02811 -0.05276 -0.02489 0.04343 93 8 H 1S -0.06040 0.11597 0.09479 -0.13174 -0.21154 94 2S -0.01007 0.02369 0.08519 -0.09669 -0.18159 95 9 H 1S 0.01233 -0.02671 -0.01145 -0.03917 0.01263 96 2S 0.01576 -0.02921 -0.02531 -0.06273 0.02819 97 10 H 1S 0.00074 -0.00096 -0.00062 0.00861 -0.00274 98 2S 0.00640 -0.01073 0.00122 0.00617 -0.01198 99 11 O 1S -0.00276 0.00534 -0.00290 -0.01027 0.00120 100 2S 0.00589 -0.01292 0.00991 0.02336 -0.00539 101 2PX 0.02536 -0.04070 0.01504 0.06182 -0.06338 102 2PY 0.01301 -0.02149 0.03280 0.03620 -0.01807 103 2PZ -0.02343 0.04810 -0.06476 -0.04732 0.00620 104 3S 0.00882 -0.00220 -0.00452 0.05465 0.01148 105 3PX 0.01957 -0.03351 0.00893 0.05370 -0.05602 106 3PY 0.00726 -0.00885 0.01717 0.02917 -0.00302 107 3PZ -0.01823 0.03921 -0.06155 -0.03924 0.00365 108 4XX -0.00063 -0.00021 0.00120 -0.00161 0.00020 109 4YY 0.00006 -0.00096 0.00011 -0.00124 -0.00044 110 4ZZ -0.00069 -0.00019 0.00036 -0.00131 -0.00185 111 4XY -0.00004 0.00052 -0.00154 -0.00080 0.00156 112 4XZ 0.00002 -0.00020 -0.00015 0.00119 0.00033 113 4YZ 0.00018 0.00004 0.00203 0.00037 -0.00164 114 12 O 1S 0.00116 -0.00274 0.00069 -0.00564 -0.00104 115 2S -0.00232 0.00537 -0.00193 0.01222 0.00009 116 2PX -0.00801 0.01240 -0.02514 0.04467 -0.01500 117 2PY 0.00740 -0.01879 -0.00353 -0.03073 -0.00740 118 2PZ 0.00932 -0.01407 -0.03713 -0.00954 -0.02052 119 3S -0.00878 0.01636 -0.00292 0.03907 0.01520 120 3PX -0.00578 0.01010 -0.02275 0.03664 -0.00835 121 3PY 0.00545 -0.01376 -0.00370 -0.02574 -0.01011 122 3PZ 0.00745 -0.01231 -0.02788 -0.00747 -0.01872 123 4XX 0.00019 -0.00066 0.00018 -0.00137 -0.00086 124 4YY 0.00025 -0.00010 0.00052 -0.00069 -0.00020 125 4ZZ 0.00028 -0.00080 -0.00060 -0.00120 -0.00122 126 4XY -0.00001 0.00006 0.00080 -0.00065 0.00073 127 4XZ -0.00019 0.00034 -0.00051 0.00089 -0.00037 128 4YZ -0.00008 -0.00001 0.00143 -0.00020 0.00045 129 13 C 1S -0.00286 0.00516 0.01181 0.00042 0.00302 130 2S 0.00584 -0.01202 -0.03029 -0.00336 -0.00774 131 2PX -0.00831 0.01764 0.03375 0.00334 0.01275 132 2PY -0.00041 0.00511 -0.00111 -0.00556 -0.01282 133 2PZ -0.00283 0.00504 0.00542 -0.00485 -0.01288 134 3S 0.00917 -0.02068 -0.05281 -0.00513 -0.02011 135 3PX -0.00344 0.00561 -0.00038 -0.00368 0.00298 136 3PY -0.00062 0.00343 0.00474 -0.00283 -0.00597 137 3PZ -0.00383 0.00479 0.00989 -0.01949 -0.01328 138 4XX -0.00113 0.00189 0.00817 -0.00089 0.00356 139 4YY 0.00028 -0.00066 -0.00300 -0.00003 -0.00146 140 4ZZ 0.00042 -0.00091 -0.00409 -0.00057 -0.00154 141 4XY -0.00030 0.00007 0.00465 0.00025 0.00268 142 4XZ -0.00054 0.00135 0.00309 0.00071 0.00096 143 4YZ -0.00015 0.00045 0.00248 -0.00024 0.00067 144 14 H 1S -0.00541 0.01041 0.03258 -0.00193 0.01284 145 2S -0.00775 0.01597 0.07261 -0.00176 0.03249 146 15 H 1S 0.00460 -0.00834 -0.02096 0.00121 -0.00173 147 2S 0.00058 -0.00144 -0.01125 -0.00937 -0.00844 148 16 C 1S -0.00218 0.00219 -0.00677 -0.00074 -0.00720 149 2S 0.00169 -0.01448 0.00988 0.00195 0.00959 150 2PX 0.00918 -0.01119 -0.13337 0.02342 -0.08119 151 2PY -0.00199 -0.00056 0.01643 -0.01290 0.00655 152 2PZ 0.00253 -0.00245 -0.05616 0.00925 -0.05396 153 3S 0.01602 -0.01270 -0.00209 0.01354 0.02920 154 3PX -0.00305 0.00219 -0.08488 0.01372 -0.05589 155 3PY 0.00327 0.00228 0.00054 0.01260 0.00149 156 3PZ 0.00073 0.00203 -0.05380 0.01904 -0.02397 157 4XX -0.00139 0.00239 0.00525 -0.00211 0.00522 158 4YY 0.00047 -0.00220 -0.00421 0.00137 -0.00200 159 4ZZ -0.00064 0.00033 0.00124 -0.00080 -0.00237 160 4XY -0.00006 -0.00036 -0.00157 -0.00191 -0.00129 161 4XZ -0.00124 0.00319 0.00558 -0.00251 0.00142 162 4YZ 0.00011 -0.00027 -0.00119 -0.00045 -0.00131 163 17 H 1S 0.00447 -0.00840 -0.01955 0.01376 -0.00580 164 2S 0.00623 -0.00770 -0.02868 0.02588 -0.02111 165 18 C 1S -0.00122 0.00134 0.00192 -0.00052 0.00490 166 2S 0.00147 -0.00339 -0.01046 0.00311 -0.01755 167 2PX -0.00780 0.02010 0.00172 -0.01089 0.00486 168 2PY -0.00006 0.00165 0.00022 0.00066 0.00610 169 2PZ -0.00418 0.01312 0.00999 -0.00416 0.02128 170 3S -0.00203 -0.00289 0.03608 -0.01222 0.00482 171 3PX -0.00777 0.01811 0.01456 -0.01614 0.01044 172 3PY 0.00160 -0.00163 0.00333 0.00181 0.01678 173 3PZ -0.00185 0.00856 -0.00679 0.00421 0.00835 174 4XX -0.00055 0.00065 -0.00148 0.00037 -0.00054 175 4YY -0.00015 0.00008 -0.00150 0.00047 -0.00103 176 4ZZ -0.00041 -0.00025 0.00242 -0.00081 0.00122 177 4XY -0.00054 0.00073 0.00500 -0.00089 0.00406 178 4XZ -0.00043 0.00067 0.00495 -0.00039 0.00452 179 4YZ -0.00011 0.00024 0.00176 0.00013 0.00103 180 19 H 1S 0.00052 -0.00025 0.00083 -0.00022 0.00071 181 2S 0.00034 -0.00052 -0.00012 -0.00285 0.00436 182 20 C 1S -0.00132 0.00220 0.01083 0.00193 0.00764 183 2S 0.00423 -0.00346 -0.02677 -0.00696 -0.01873 184 2PX -0.00159 0.00358 0.01971 0.02130 0.01247 185 2PY -0.00502 0.00693 0.01966 0.01451 0.01233 186 2PZ -0.00177 0.00437 0.02070 0.01065 0.01575 187 3S -0.00154 -0.00126 -0.03343 0.00499 -0.02241 188 3PX -0.00006 0.00173 0.02746 0.01897 0.01915 189 3PY 0.00158 0.00048 0.00402 -0.01356 -0.00617 190 3PZ -0.00375 0.00543 0.03186 0.02257 0.01719 191 4XX -0.00036 0.00059 0.00376 -0.00123 0.00193 192 4YY 0.00002 -0.00038 -0.00210 0.00048 -0.00116 193 4ZZ 0.00000 0.00021 0.00161 -0.00068 0.00190 194 4XY -0.00057 0.00064 0.00144 0.00182 0.00107 195 4XZ -0.00054 0.00087 0.00666 -0.00086 0.00511 196 4YZ -0.00003 -0.00002 0.00020 0.00044 0.00041 197 21 H 1S -0.00141 0.00205 -0.00386 0.01008 -0.00366 198 2S -0.00292 0.00285 0.00232 0.02354 0.00594 199 22 C 1S -0.00071 0.00013 0.00150 0.00043 0.00056 200 2S 0.00123 0.00021 -0.00522 0.00150 -0.00146 201 2PX -0.00844 0.01895 0.08497 -0.00521 0.07280 202 2PY -0.00103 0.00063 0.00745 -0.00122 0.00589 203 2PZ -0.00466 0.00692 0.03504 0.00061 0.02730 204 3S 0.00329 -0.00104 -0.01300 -0.01907 -0.01110 205 3PX -0.00535 0.01141 0.06736 -0.00859 0.06148 206 3PY -0.00050 0.00033 0.01282 0.00154 0.01823 207 3PZ -0.00546 0.00758 0.03800 0.00805 0.02945 208 4XX -0.00032 0.00046 0.00083 0.00064 0.00080 209 4YY -0.00012 0.00005 -0.00037 0.00062 -0.00058 210 4ZZ 0.00008 -0.00028 -0.00158 -0.00104 -0.00084 211 4XY 0.00023 -0.00067 0.00048 0.00119 0.00030 212 4XZ -0.00017 0.00027 0.00086 -0.00036 0.00082 213 4YZ 0.00007 -0.00058 -0.00064 0.00004 -0.00102 214 23 H 1S 0.00005 -0.00102 -0.00226 -0.00026 -0.00314 215 2S 0.00107 -0.00301 -0.01301 -0.00269 -0.01412 36 37 38 39 40 36 3S 0.55233 37 3PX -0.00105 0.14607 38 3PY 0.01285 -0.00732 0.07150 39 3PZ 0.07388 0.03722 -0.01104 0.11604 40 4XX -0.00898 -0.00229 -0.00089 0.00164 0.00093 41 4YY -0.00621 0.00092 0.00199 -0.00146 -0.00013 42 4ZZ -0.00269 0.00287 -0.00270 -0.00254 0.00020 43 4XY 0.00210 -0.00018 -0.00232 0.00485 0.00012 44 4XZ -0.00806 0.00193 0.00230 0.00126 0.00015 45 4YZ 0.00550 0.00461 -0.00064 -0.00387 -0.00037 46 4 C 1S 0.03072 -0.01140 0.00386 0.00404 0.00244 47 2S -0.01027 0.01592 0.01433 0.00311 -0.00551 48 2PX 0.05377 0.09004 -0.01429 0.06811 -0.00274 49 2PY -0.13473 0.01096 -0.11232 0.02133 0.00853 50 2PZ 0.04025 0.06350 -0.02761 0.05206 -0.00202 51 3S -0.18422 0.04221 -0.05177 0.00532 -0.00421 52 3PX 0.04216 0.05802 -0.01403 0.04912 -0.00210 53 3PY 0.05178 0.01407 -0.02164 0.02925 0.00213 54 3PZ 0.00532 0.04915 -0.02922 0.03311 -0.00146 55 4XX -0.00421 -0.00209 -0.00213 -0.00146 0.00038 56 4YY 0.01296 0.00056 0.00333 0.00011 -0.00037 57 4ZZ -0.00499 -0.00066 -0.00297 0.00009 0.00028 58 4XY 0.00016 -0.00859 0.00058 -0.00195 0.00008 59 4XZ 0.00257 -0.00140 0.00143 -0.00103 -0.00004 60 4YZ -0.00025 -0.00126 0.00085 -0.00682 -0.00014 61 5 C 1S -0.01197 0.00060 -0.00024 -0.00401 -0.00022 62 2S 0.00041 0.00816 -0.01060 0.00426 0.00062 63 2PX -0.01408 0.01175 -0.00921 -0.00199 -0.00028 64 2PY 0.07420 -0.00273 0.04308 0.00673 -0.00015 65 2PZ 0.03483 -0.00979 0.00219 0.01603 -0.00104 66 3S 0.01574 -0.01214 -0.01291 -0.01253 0.00056 67 3PX 0.00108 0.00356 0.00780 -0.00652 -0.00030 68 3PY -0.02641 0.00173 -0.00918 -0.00437 0.00034 69 3PZ 0.02458 -0.00870 -0.00261 0.00963 -0.00050 70 4XX -0.00368 0.00373 -0.00484 0.00226 -0.00001 71 4YY 0.00454 -0.00108 0.00468 -0.00093 -0.00015 72 4ZZ -0.00364 -0.00183 -0.00038 -0.00147 0.00005 73 4XY 0.00538 -0.00152 0.00473 -0.00109 0.00018 74 4XZ 0.00241 -0.00040 0.00147 -0.00043 -0.00007 75 4YZ -0.00843 -0.00429 -0.00301 -0.00287 0.00015 76 6 C 1S 0.00022 -0.00489 0.00124 0.00212 0.00009 77 2S 0.00995 0.01034 0.00062 -0.00037 -0.00038 78 2PX -0.00249 -0.01073 0.00715 -0.00082 -0.00173 79 2PY 0.01055 -0.00717 0.01008 0.00812 0.00077 80 2PZ 0.00269 -0.01584 0.00562 -0.00927 -0.00148 81 3S 0.05833 0.01861 0.02816 -0.00552 -0.00135 82 3PX -0.00942 -0.00920 0.00494 -0.00279 -0.00083 83 3PY -0.02921 -0.00115 -0.00256 0.00437 0.00068 84 3PZ 0.01404 -0.01301 0.00676 -0.00467 -0.00089 85 4XX 0.00029 0.00034 -0.00035 0.00064 -0.00003 86 4YY -0.00008 0.00068 0.00035 0.00006 0.00000 87 4ZZ -0.00083 -0.00049 -0.00012 -0.00039 0.00008 88 4XY 0.00418 -0.00124 -0.00117 0.00119 0.00004 89 4XZ 0.00028 -0.00026 0.00039 -0.00029 -0.00001 90 4YZ -0.00373 0.00131 0.00137 -0.00151 0.00015 91 7 H 1S 0.04514 -0.02150 -0.01479 0.01577 -0.00069 92 2S 0.08859 -0.04110 -0.01266 0.03016 -0.00039 93 8 H 1S 0.11212 0.03928 -0.03217 -0.08495 -0.00523 94 2S -0.00279 0.03308 -0.02220 -0.07425 -0.00223 95 9 H 1S -0.04699 -0.00651 -0.02109 0.00996 0.00135 96 2S -0.02018 -0.01354 -0.01611 0.01768 0.00221 97 10 H 1S -0.00770 0.00382 0.00592 -0.00547 0.00037 98 2S -0.04024 0.00438 -0.00158 -0.01122 0.00072 99 11 O 1S 0.00201 0.00422 -0.00138 -0.00517 -0.00033 100 2S -0.02015 -0.00453 -0.00300 0.00341 0.00089 101 2PX -0.26802 0.00923 -0.03052 -0.08666 -0.00461 102 2PY -0.11180 0.05171 -0.02308 -0.05181 0.00097 103 2PZ 0.19645 -0.05350 0.01926 -0.01447 -0.00524 104 3S 0.00362 -0.01892 0.01019 0.01951 0.00005 105 3PX -0.19406 0.00356 -0.01537 -0.06568 -0.00287 106 3PY -0.05644 0.02919 -0.00973 -0.02473 0.00027 107 3PZ 0.14708 -0.04801 0.01176 -0.01042 -0.00332 108 4XX 0.00019 0.00029 -0.00040 0.00054 -0.00007 109 4YY -0.00638 0.00270 -0.00204 -0.00304 0.00024 110 4ZZ 0.00279 -0.00060 0.00085 -0.00020 -0.00007 111 4XY -0.00856 -0.00029 -0.00340 -0.00227 -0.00029 112 4XZ -0.00066 -0.00015 0.00030 -0.00033 -0.00007 113 4YZ 0.00407 0.00071 0.00185 -0.00189 -0.00032 114 12 O 1S -0.00167 -0.00161 -0.00194 0.00184 0.00016 115 2S 0.01150 0.00228 0.00805 -0.00317 -0.00031 116 2PX 0.11207 -0.01618 0.09699 -0.00942 0.00021 117 2PY -0.07050 -0.00333 -0.03524 -0.01029 0.00032 118 2PZ -0.09389 -0.04196 -0.05297 -0.01826 0.00221 119 3S 0.01263 0.00544 0.01078 0.00324 -0.00095 120 3PX 0.07839 -0.01434 0.06900 -0.00661 0.00025 121 3PY -0.04083 -0.00410 -0.02081 -0.00901 0.00042 122 3PZ -0.07313 -0.02970 -0.03760 -0.01612 0.00175 123 4XX -0.00060 -0.00012 -0.00016 -0.00056 0.00002 124 4YY 0.00288 0.00032 0.00107 0.00043 0.00004 125 4ZZ -0.00254 -0.00080 -0.00114 -0.00081 0.00004 126 4XY -0.00476 0.00048 -0.00386 0.00031 -0.00002 127 4XZ 0.00040 -0.00051 0.00042 -0.00030 -0.00001 128 4YZ 0.00242 0.00206 0.00172 0.00034 -0.00006 129 13 C 1S 0.01056 0.00879 -0.00132 0.00496 -0.00106 130 2S -0.02313 -0.01915 0.00474 -0.01305 0.00239 131 2PX 0.03796 0.02766 -0.00700 0.02077 -0.00532 132 2PY -0.01708 -0.01350 -0.02065 -0.00321 -0.00217 133 2PZ 0.02276 -0.00401 -0.00928 -0.00387 -0.00087 134 3S -0.03456 -0.03150 0.00630 -0.02405 0.00227 135 3PX 0.01292 -0.00019 -0.00292 0.00530 -0.00193 136 3PY 0.00063 -0.00433 -0.00650 0.00196 -0.00087 137 3PZ 0.01408 0.00488 -0.01108 -0.00357 -0.00094 138 4XX 0.00396 0.00505 -0.00106 0.00355 -0.00032 139 4YY -0.00058 -0.00242 -0.00007 -0.00128 0.00015 140 4ZZ -0.00235 -0.00205 0.00042 -0.00146 0.00009 141 4XY 0.00165 0.00380 0.00129 0.00232 0.00016 142 4XZ 0.00206 0.00244 -0.00027 0.00122 -0.00021 143 4YZ -0.00093 0.00186 -0.00073 0.00062 0.00000 144 14 H 1S 0.02440 0.02304 -0.00591 0.01597 -0.00285 145 2S 0.03522 0.04944 -0.00925 0.03248 -0.00323 146 15 H 1S -0.02597 -0.00820 0.00800 -0.00705 0.00146 147 2S -0.01279 -0.00173 0.00087 -0.00645 0.00034 148 16 C 1S 0.01394 0.00429 -0.00077 -0.00187 -0.00141 149 2S 0.00293 -0.00447 0.01057 0.01156 0.00265 150 2PX -0.02582 -0.08699 0.00036 -0.06898 -0.00059 151 2PY 0.02239 0.01609 0.02026 0.00347 0.00179 152 2PZ -0.00318 -0.05257 0.00050 -0.02787 -0.00455 153 3S 0.00039 -0.01466 0.00925 0.01976 0.00317 154 3PX 0.00312 -0.05790 0.00280 -0.04285 -0.00115 155 3PY -0.00354 -0.00091 0.00836 -0.00154 0.00050 156 3PZ -0.00866 -0.04244 -0.00177 -0.02068 -0.00256 157 4XX 0.00415 0.00465 -0.00086 0.00347 -0.00017 158 4YY -0.00485 -0.00346 -0.00045 -0.00211 0.00022 159 4ZZ 0.00037 0.00100 0.00005 -0.00087 -0.00016 160 4XY 0.00043 -0.00047 -0.00023 -0.00095 0.00005 161 4XZ 0.00461 0.00412 -0.00217 0.00177 -0.00024 162 4YZ -0.00041 -0.00150 -0.00073 -0.00035 -0.00015 163 17 H 1S -0.02219 -0.01991 -0.00742 -0.00517 0.00065 164 2S -0.04323 -0.02642 -0.00699 -0.01907 -0.00036 165 18 C 1S 0.00102 0.00364 -0.00106 0.00376 0.00003 166 2S -0.00103 -0.01387 0.00560 -0.00825 -0.00080 167 2PX 0.04087 0.01006 -0.02332 0.00628 -0.00315 168 2PY -0.00487 0.00167 -0.00180 0.00163 0.00050 169 2PZ 0.00993 0.02546 -0.01586 0.00353 0.00071 170 3S 0.02345 0.02848 0.01176 0.01375 -0.00010 171 3PX 0.03344 0.01787 -0.01977 0.00844 -0.00205 172 3PY 0.00415 0.00649 0.00427 0.00897 0.00083 173 3PZ 0.00326 -0.00106 -0.01072 -0.00019 -0.00028 174 4XX 0.00004 -0.00063 -0.00033 -0.00076 -0.00006 175 4YY -0.00174 -0.00073 -0.00061 -0.00117 0.00003 176 4ZZ 0.00098 0.00137 0.00064 0.00108 0.00017 177 4XY 0.00163 0.00466 -0.00071 0.00283 0.00004 178 4XZ 0.00111 0.00354 -0.00023 0.00322 0.00000 179 4YZ 0.00132 0.00062 -0.00036 0.00154 -0.00010 180 19 H 1S -0.00219 0.00585 0.00076 -0.00370 0.00076 181 2S -0.00113 0.00751 0.00143 -0.00277 0.00104 182 20 C 1S 0.00299 0.00715 -0.00013 0.00883 -0.00034 183 2S -0.02526 -0.02161 -0.00872 -0.02310 0.00064 184 2PX 0.00811 0.02346 0.01131 0.01529 0.00125 185 2PY 0.04043 0.02178 0.02225 0.01289 -0.00065 186 2PZ -0.00101 0.03432 0.01034 0.00853 0.00030 187 3S -0.01583 -0.02723 -0.00053 -0.02744 0.00113 188 3PX -0.00388 0.02706 0.00570 0.01734 0.00082 189 3PY 0.00445 0.00509 -0.00401 -0.00058 -0.00052 190 3PZ 0.00931 0.03303 0.01610 0.01290 0.00056 191 4XX 0.00160 0.00212 -0.00141 0.00215 -0.00022 192 4YY 0.00088 -0.00167 0.00167 -0.00095 0.00017 193 4ZZ -0.00023 0.00207 -0.00056 0.00136 0.00000 194 4XY 0.00088 0.00091 0.00113 0.00057 -0.00002 195 4XZ 0.00251 0.00542 -0.00124 0.00391 -0.00006 196 4YZ -0.00053 -0.00029 -0.00018 0.00021 0.00005 197 21 H 1S 0.01536 -0.00112 0.01345 -0.00344 0.00023 198 2S 0.02470 0.00446 0.02549 0.00375 0.00050 199 22 C 1S 0.00626 -0.00054 0.00176 0.00212 -0.00015 200 2S -0.01339 0.00133 -0.00238 -0.00548 0.00036 201 2PX 0.03553 0.08381 -0.01663 0.05241 -0.00045 202 2PY 0.00475 0.01026 0.00149 0.00334 0.00025 203 2PZ 0.03424 0.02333 -0.00438 0.02734 -0.00024 204 3S -0.02487 -0.00945 -0.02375 -0.00873 -0.00125 205 3PX 0.02654 0.06244 -0.01400 0.04431 -0.00021 206 3PY 0.00835 0.01442 0.00543 0.01132 0.00058 207 3PZ 0.02363 0.03107 0.00323 0.02225 0.00041 208 4XX 0.00125 0.00076 0.00042 0.00082 -0.00002 209 4YY 0.00103 -0.00053 0.00095 -0.00007 -0.00002 210 4ZZ -0.00134 -0.00153 -0.00083 -0.00107 0.00006 211 4XY -0.00161 0.00028 0.00135 0.00007 0.00013 212 4XZ 0.00068 0.00017 -0.00025 0.00052 -0.00008 213 4YZ -0.00046 -0.00148 0.00033 -0.00014 0.00002 214 23 H 1S 0.00377 -0.00501 -0.00061 0.00008 0.00012 215 2S 0.00009 -0.01576 -0.00160 -0.00602 -0.00012 41 42 43 44 45 41 4YY 0.00091 42 4ZZ -0.00025 0.00090 43 4XY -0.00001 -0.00025 0.00093 44 4XZ 0.00030 -0.00016 -0.00018 0.00064 45 4YZ -0.00011 0.00030 -0.00036 -0.00020 0.00124 46 4 C 1S -0.00645 0.00258 0.00044 -0.00070 0.00041 47 2S 0.01086 -0.00613 -0.00094 0.00139 -0.00058 48 2PX 0.00006 -0.00016 0.01289 -0.00126 -0.00039 49 2PY -0.00629 0.01011 0.00162 -0.00196 -0.00097 50 2PZ 0.00002 -0.00083 0.00037 -0.00103 0.01298 51 3S 0.01296 -0.00499 -0.00017 0.00257 0.00026 52 3PX 0.00057 -0.00066 0.00859 -0.00140 0.00126 53 3PY -0.00333 0.00297 0.00059 -0.00143 0.00085 54 3PZ 0.00011 0.00010 0.00195 -0.00104 0.00682 55 4XX -0.00037 0.00028 -0.00008 -0.00004 0.00014 56 4YY 0.00003 -0.00025 0.00002 -0.00015 0.00009 57 4ZZ -0.00025 0.00038 0.00025 -0.00004 -0.00025 58 4XY -0.00002 -0.00025 0.00030 -0.00017 -0.00053 59 4XZ -0.00015 -0.00004 0.00017 -0.00002 0.00014 60 4YZ -0.00009 0.00025 -0.00053 -0.00014 0.00089 61 5 C 1S -0.00058 -0.00048 0.00146 -0.00009 -0.00140 62 2S 0.00103 0.00127 -0.00307 0.00021 0.00291 63 2PX 0.00161 0.00123 -0.00261 -0.00062 0.00607 64 2PY -0.00159 -0.00016 0.00419 0.00002 -0.00272 65 2PZ -0.00154 -0.00076 0.00582 -0.00081 -0.00217 66 3S -0.00025 0.00168 -0.00285 -0.00023 0.00373 67 3PX 0.00004 0.00063 0.00023 -0.00051 0.00150 68 3PY -0.00033 0.00095 0.00143 -0.00008 -0.00094 69 3PZ -0.00010 -0.00055 0.00105 -0.00024 0.00031 70 4XX 0.00004 0.00004 0.00031 -0.00008 0.00024 71 4YY 0.00012 -0.00029 -0.00001 0.00012 -0.00013 72 4ZZ -0.00003 0.00011 -0.00007 0.00000 -0.00036 73 4XY -0.00022 -0.00001 0.00013 0.00002 -0.00049 74 4XZ -0.00013 -0.00001 0.00008 -0.00001 0.00011 75 4YZ 0.00023 -0.00009 -0.00063 0.00012 0.00006 76 6 C 1S 0.00003 -0.00012 -0.00046 -0.00018 0.00034 77 2S -0.00002 -0.00005 0.00115 0.00027 -0.00088 78 2PX -0.00076 0.00163 0.00110 -0.00095 -0.00073 79 2PY -0.00106 0.00037 0.00118 -0.00104 -0.00165 80 2PZ 0.00026 0.00121 -0.00109 -0.00023 0.00147 81 3S -0.00021 0.00025 0.00289 0.00043 -0.00281 82 3PX -0.00043 0.00093 0.00082 -0.00037 -0.00092 83 3PY -0.00044 0.00008 0.00150 -0.00055 -0.00141 84 3PZ -0.00006 0.00063 -0.00078 -0.00024 0.00131 85 4XX 0.00002 0.00003 0.00002 -0.00003 0.00014 86 4YY -0.00004 0.00003 0.00005 -0.00002 -0.00001 87 4ZZ 0.00002 -0.00001 -0.00015 0.00001 -0.00001 88 4XY 0.00004 -0.00018 0.00015 0.00009 -0.00006 89 4XZ -0.00001 -0.00001 0.00009 0.00003 -0.00008 90 4YZ -0.00003 0.00003 -0.00011 -0.00008 0.00015 91 7 H 1S 0.00080 -0.00163 0.00111 0.00099 -0.00107 92 2S -0.00050 -0.00224 0.00171 0.00033 -0.00211 93 8 H 1S -0.00404 0.00768 -0.00529 -0.00574 0.01189 94 2S -0.00323 0.00734 -0.00537 -0.00341 0.01004 95 9 H 1S 0.00187 0.00066 0.00344 0.00020 -0.00831 96 2S -0.00093 0.00114 0.00371 -0.00016 -0.00793 97 10 H 1S -0.00005 0.00042 -0.00073 -0.00025 0.00059 98 2S -0.00002 0.00098 -0.00224 -0.00040 0.00169 99 11 O 1S -0.00117 0.00000 -0.00035 0.00003 0.00031 100 2S 0.00258 0.00039 0.00061 0.00049 -0.00057 101 2PX 0.00725 0.00261 -0.00087 -0.00077 -0.00391 102 2PY 0.00754 -0.00258 0.00533 0.00369 -0.00288 103 2PZ -0.00216 0.00372 -0.00415 -0.00211 -0.00262 104 3S 0.00221 -0.00064 -0.00035 -0.00055 0.00016 105 3PX 0.00505 0.00163 -0.00112 -0.00046 -0.00210 106 3PY 0.00424 -0.00194 0.00300 0.00202 -0.00146 107 3PZ -0.00180 0.00206 -0.00255 -0.00172 -0.00190 108 4XX -0.00008 0.00009 -0.00010 0.00005 -0.00001 109 4YY 0.00030 -0.00012 0.00047 0.00011 -0.00023 110 4ZZ -0.00016 0.00013 -0.00020 0.00003 0.00009 111 4XY 0.00031 0.00011 0.00014 -0.00011 -0.00041 112 4XZ 0.00007 0.00003 -0.00004 0.00001 -0.00009 113 4YZ -0.00001 0.00035 -0.00034 -0.00005 -0.00006 114 12 O 1S 0.00019 0.00015 -0.00003 -0.00008 0.00001 115 2S -0.00026 -0.00015 0.00032 0.00027 0.00001 116 2PX 0.00024 -0.00196 0.00027 0.00077 -0.00343 117 2PY 0.00034 0.00000 -0.00181 -0.00024 0.00058 118 2PZ -0.00004 0.00083 -0.00367 0.00106 -0.00019 119 3S 0.00027 -0.00158 -0.00053 0.00022 0.00032 120 3PX 0.00017 -0.00171 0.00013 0.00069 -0.00299 121 3PY 0.00000 0.00037 -0.00095 -0.00009 0.00018 122 3PZ 0.00007 0.00066 -0.00324 0.00085 -0.00012 123 4XX 0.00000 0.00004 0.00005 -0.00001 0.00002 124 4YY -0.00004 0.00010 0.00006 0.00001 -0.00001 125 4ZZ -0.00001 0.00006 0.00000 0.00001 -0.00005 126 4XY -0.00003 0.00004 0.00005 -0.00002 -0.00001 127 4XZ 0.00001 -0.00003 -0.00002 0.00001 0.00001 128 4YZ 0.00004 -0.00001 -0.00002 -0.00002 0.00008 129 13 C 1S 0.00026 0.00006 0.00011 -0.00009 0.00034 130 2S -0.00089 -0.00059 -0.00039 0.00036 -0.00047 131 2PX 0.00127 0.00132 0.00018 -0.00111 0.00090 132 2PY 0.00063 0.00133 -0.00064 -0.00055 0.00053 133 2PZ 0.00023 0.00063 -0.00004 0.00075 0.00070 134 3S -0.00081 -0.00033 -0.00085 -0.00044 -0.00125 135 3PX 0.00026 0.00079 -0.00041 -0.00007 0.00007 136 3PY 0.00003 0.00059 -0.00066 0.00007 0.00037 137 3PZ 0.00001 0.00103 0.00010 -0.00078 0.00044 138 4XX 0.00003 0.00014 0.00018 0.00008 0.00021 139 4YY 0.00000 -0.00005 -0.00014 0.00003 -0.00009 140 4ZZ -0.00004 0.00000 -0.00005 -0.00014 -0.00011 141 4XY -0.00009 0.00002 -0.00028 0.00024 -0.00016 142 4XZ 0.00009 -0.00001 0.00005 -0.00007 0.00007 143 4YZ 0.00000 0.00008 -0.00020 0.00007 -0.00005 144 14 H 1S 0.00049 0.00086 0.00054 -0.00017 0.00099 145 2S 0.00067 0.00078 0.00173 0.00002 0.00182 146 15 H 1S -0.00046 -0.00053 -0.00021 -0.00063 -0.00077 147 2S -0.00027 0.00016 -0.00012 -0.00145 -0.00048 148 16 C 1S -0.00017 -0.00029 0.00080 -0.00098 0.00075 149 2S -0.00115 -0.00051 -0.00189 0.00283 -0.00157 150 2PX 0.00207 -0.00288 0.00344 -0.00522 0.00188 151 2PY -0.00193 0.00084 0.00098 0.00137 0.00051 152 2PZ 0.00100 0.00124 0.00231 -0.00248 0.00178 153 3S -0.00084 -0.00170 -0.00171 0.00430 -0.00276 154 3PX 0.00108 -0.00164 0.00278 -0.00375 0.00216 155 3PY -0.00019 -0.00039 0.00063 0.00101 0.00047 156 3PZ 0.00137 -0.00067 0.00284 -0.00202 0.00074 157 4XX -0.00004 0.00010 0.00013 -0.00005 0.00002 158 4YY 0.00008 -0.00010 -0.00012 0.00004 -0.00009 159 4ZZ 0.00002 0.00011 0.00011 -0.00018 0.00022 160 4XY -0.00006 0.00004 0.00002 -0.00010 0.00001 161 4XZ 0.00003 0.00003 0.00024 -0.00026 0.00031 162 4YZ 0.00004 0.00008 -0.00004 -0.00005 -0.00001 163 17 H 1S 0.00092 -0.00122 -0.00140 0.00023 -0.00106 164 2S 0.00160 -0.00101 -0.00069 -0.00051 -0.00024 165 18 C 1S -0.00028 -0.00079 0.00004 -0.00001 -0.00017 166 2S 0.00015 0.00083 0.00008 -0.00006 0.00045 167 2PX 0.00166 -0.00163 0.00547 -0.00564 0.00349 168 2PY 0.00034 -0.00014 -0.00064 -0.00027 -0.00022 169 2PZ 0.00111 -0.00184 0.00156 -0.00236 0.00090 170 3S -0.00093 0.00164 -0.00126 0.00030 0.00032 171 3PX 0.00093 -0.00097 0.00391 -0.00405 0.00288 172 3PY -0.00014 -0.00026 -0.00067 0.00061 -0.00123 173 3PZ 0.00101 -0.00148 0.00232 -0.00147 0.00100 174 4XX 0.00005 -0.00005 0.00007 -0.00013 0.00003 175 4YY 0.00008 -0.00004 -0.00005 -0.00007 -0.00002 176 4ZZ -0.00011 0.00003 -0.00009 0.00020 -0.00005 177 4XY 0.00000 0.00001 -0.00004 0.00001 -0.00009 178 4XZ -0.00004 0.00004 -0.00006 0.00015 -0.00007 179 4YZ 0.00002 -0.00001 -0.00002 0.00000 0.00000 180 19 H 1S 0.00000 -0.00015 -0.00009 0.00016 -0.00009 181 2S -0.00022 -0.00005 -0.00060 0.00029 -0.00075 182 20 C 1S 0.00001 -0.00017 -0.00036 0.00011 -0.00047 183 2S 0.00003 0.00044 0.00044 -0.00039 0.00046 184 2PX -0.00015 0.00020 -0.00661 0.00229 -0.00434 185 2PY -0.00001 -0.00026 -0.00139 0.00045 -0.00058 186 2PZ -0.00007 0.00055 -0.00292 0.00109 -0.00279 187 3S 0.00004 -0.00010 -0.00035 0.00031 0.00140 188 3PX 0.00014 0.00017 -0.00442 0.00206 -0.00318 189 3PY -0.00026 0.00060 -0.00013 -0.00097 0.00017 190 3PZ 0.00008 -0.00013 -0.00295 0.00182 -0.00146 191 4XX 0.00005 0.00004 0.00019 -0.00007 0.00023 192 4YY -0.00010 -0.00002 -0.00015 0.00011 -0.00007 193 4ZZ 0.00000 0.00000 0.00006 -0.00007 -0.00014 194 4XY 0.00002 -0.00004 0.00003 0.00007 0.00004 195 4XZ 0.00007 -0.00005 0.00021 -0.00006 0.00001 196 4YZ -0.00001 -0.00007 0.00008 0.00002 0.00004 197 21 H 1S -0.00010 -0.00011 -0.00121 0.00047 -0.00035 198 2S -0.00003 -0.00064 -0.00159 0.00138 -0.00124 199 22 C 1S -0.00018 -0.00030 0.00012 0.00015 0.00013 200 2S 0.00026 0.00032 -0.00063 -0.00009 -0.00075 201 2PX 0.00095 -0.00077 0.00000 -0.00128 -0.00126 202 2PY -0.00052 -0.00011 0.00016 0.00055 -0.00056 203 2PZ 0.00028 -0.00104 0.00046 -0.00032 0.00054 204 3S 0.00059 0.00069 0.00178 -0.00221 0.00037 205 3PX 0.00056 -0.00057 0.00059 -0.00077 -0.00083 206 3PY -0.00037 -0.00016 -0.00016 0.00080 -0.00114 207 3PZ 0.00017 -0.00066 -0.00075 0.00069 -0.00013 208 4XX 0.00001 -0.00003 -0.00008 0.00003 -0.00005 209 4YY 0.00000 0.00001 -0.00006 0.00002 -0.00002 210 4ZZ -0.00003 0.00000 0.00014 -0.00002 0.00007 211 4XY -0.00005 0.00006 -0.00031 0.00026 -0.00021 212 4XZ 0.00001 -0.00002 0.00022 -0.00006 0.00020 213 4YZ -0.00006 0.00005 -0.00005 0.00011 -0.00002 214 23 H 1S -0.00019 -0.00013 0.00019 0.00020 0.00013 215 2S -0.00025 0.00005 0.00042 -0.00011 0.00050 46 47 48 49 50 46 4 C 1S 2.05568 47 2S -0.05950 0.31926 48 2PX 0.00296 -0.00998 0.35918 49 2PY -0.00291 0.00011 -0.00509 0.42055 50 2PZ 0.00372 -0.00840 -0.03787 -0.00978 0.38844 51 3S -0.23341 0.34055 -0.01473 0.07884 0.06720 52 3PX -0.00048 0.00475 0.21734 0.00159 0.02300 53 3PY 0.00473 0.00240 0.00530 0.13044 0.01738 54 3PZ -0.01465 0.00450 0.02886 0.01732 0.19503 55 4XX -0.01278 -0.01075 -0.00470 0.00542 0.00410 56 4YY -0.01643 -0.00195 0.00162 -0.01322 -0.00058 57 4ZZ -0.01568 -0.00419 0.00605 0.01175 -0.00724 58 4XY 0.00033 -0.00080 0.00272 -0.00299 -0.01059 59 4XZ 0.00386 -0.00785 0.00424 -0.00771 0.00203 60 4YZ 0.00249 -0.00482 -0.00993 -0.00268 0.01181 61 5 C 1S 0.01430 -0.03003 0.04840 -0.03620 -0.04281 62 2S -0.03013 0.05493 -0.10206 0.08125 0.09185 63 2PX -0.04904 0.09862 -0.08251 0.11689 0.16420 64 2PY 0.03342 -0.05877 0.11344 -0.06396 -0.08361 65 2PZ 0.03986 -0.07954 0.16457 -0.08364 -0.06003 66 3S 0.01050 0.00989 -0.08723 0.06261 0.07431 67 3PX 0.00684 0.00251 0.01175 0.01233 0.02615 68 3PY -0.00870 -0.00752 0.03670 0.02131 -0.02419 69 3PZ -0.00530 0.00240 0.02633 -0.00808 0.01753 70 4XX -0.00256 0.00356 0.00819 0.00661 0.00598 71 4YY 0.00093 -0.00246 0.00063 -0.01291 -0.00268 72 4ZZ -0.00098 0.00037 -0.00106 0.00253 -0.01043 73 4XY 0.00529 -0.00976 0.00521 -0.00361 -0.01263 74 4XZ 0.00362 -0.00646 0.00196 -0.00638 0.00168 75 4YZ -0.00555 0.01060 -0.01504 0.00447 0.00354 76 6 C 1S -0.00575 0.01186 -0.01560 0.00630 0.01455 77 2S 0.01225 -0.02549 0.03726 -0.01338 -0.03212 78 2PX 0.01387 -0.03168 0.02564 -0.02103 -0.04014 79 2PY 0.00747 -0.01645 0.01995 -0.01615 -0.02267 80 2PZ -0.01521 0.03358 -0.04962 0.01712 0.03258 81 3S 0.02143 -0.05705 0.09147 -0.03596 -0.08714 82 3PX 0.00541 -0.01684 0.01369 -0.00916 -0.03422 83 3PY 0.01024 -0.01019 0.03679 -0.01372 -0.03488 84 3PZ -0.00519 0.01524 -0.03352 0.00349 0.02094 85 4XX -0.00092 0.00172 -0.00070 0.00172 0.00479 86 4YY 0.00029 -0.00040 0.00273 -0.00048 -0.00168 87 4ZZ -0.00065 0.00114 -0.00501 0.00082 0.00071 88 4XY 0.00047 -0.00098 0.00243 -0.00012 -0.00023 89 4XZ 0.00070 -0.00136 0.00314 -0.00141 -0.00334 90 4YZ -0.00072 0.00136 -0.00083 0.00092 0.00240 91 7 H 1S 0.00074 -0.00096 -0.00062 -0.00861 -0.00275 92 2S 0.00641 -0.01073 0.00123 -0.00616 -0.01198 93 8 H 1S 0.01233 -0.02671 -0.01147 0.03916 0.01264 94 2S 0.01576 -0.02922 -0.02535 0.06272 0.02819 95 9 H 1S -0.06040 0.11597 0.09469 0.13182 -0.21153 96 2S -0.01007 0.02369 0.08514 0.09676 -0.18158 97 10 H 1S -0.00680 0.01425 -0.02060 0.00869 0.01857 98 2S -0.01484 0.02811 -0.05278 0.02485 0.04343 99 11 O 1S 0.00116 -0.00274 0.00069 0.00565 -0.00104 100 2S -0.00232 0.00537 -0.00192 -0.01222 0.00009 101 2PX -0.00800 0.01238 -0.02513 -0.04466 -0.01502 102 2PY -0.00740 0.01880 0.00352 -0.03077 0.00738 103 2PZ 0.00933 -0.01407 -0.03713 0.00954 -0.02052 104 3S -0.00878 0.01636 -0.00290 -0.03908 0.01519 105 3PX -0.00578 0.01009 -0.02273 -0.03663 -0.00837 106 3PY -0.00545 0.01376 0.00369 -0.02577 0.01010 107 3PZ 0.00745 -0.01231 -0.02788 0.00746 -0.01871 108 4XX 0.00019 -0.00066 0.00018 0.00137 -0.00086 109 4YY 0.00025 -0.00010 0.00052 0.00069 -0.00020 110 4ZZ 0.00028 -0.00080 -0.00060 0.00120 -0.00122 111 4XY 0.00001 -0.00006 -0.00080 -0.00065 -0.00073 112 4XZ -0.00019 0.00034 -0.00051 -0.00089 -0.00037 113 4YZ 0.00008 0.00001 -0.00143 -0.00020 -0.00045 114 12 O 1S -0.00276 0.00534 -0.00291 0.01026 0.00120 115 2S 0.00589 -0.01292 0.00993 -0.02336 -0.00539 116 2PX 0.02537 -0.04072 0.01512 -0.06184 -0.06340 117 2PY -0.01299 0.02147 -0.03281 0.03613 0.01802 118 2PZ -0.02343 0.04809 -0.06479 0.04727 0.00620 119 3S 0.00882 -0.00220 -0.00448 -0.05465 0.01148 120 3PX 0.01958 -0.03352 0.00899 -0.05372 -0.05602 121 3PY -0.00724 0.00883 -0.01718 0.02912 0.00298 122 3PZ -0.01823 0.03921 -0.06158 0.03920 0.00365 123 4XX -0.00063 -0.00021 0.00120 0.00161 0.00020 124 4YY 0.00006 -0.00096 0.00011 0.00124 -0.00044 125 4ZZ -0.00069 -0.00019 0.00036 0.00131 -0.00185 126 4XY 0.00004 -0.00052 0.00154 -0.00080 -0.00156 127 4XZ 0.00002 -0.00020 -0.00015 -0.00119 0.00033 128 4YZ -0.00018 -0.00004 -0.00203 0.00037 0.00164 129 13 C 1S -0.00286 0.00516 0.01181 -0.00041 0.00302 130 2S 0.00584 -0.01202 -0.03030 0.00334 -0.00774 131 2PX -0.00831 0.01765 0.03375 -0.00332 0.01274 132 2PY 0.00040 -0.00510 0.00113 -0.00557 0.01283 133 2PZ -0.00283 0.00504 0.00541 0.00486 -0.01287 134 3S 0.00918 -0.02069 -0.05281 0.00510 -0.02011 135 3PX -0.00344 0.00562 -0.00038 0.00369 0.00297 136 3PY 0.00062 -0.00343 -0.00475 -0.00284 0.00597 137 3PZ -0.00383 0.00479 0.00988 0.01949 -0.01328 138 4XX -0.00114 0.00189 0.00817 0.00089 0.00356 139 4YY 0.00028 -0.00066 -0.00301 0.00002 -0.00146 140 4ZZ 0.00042 -0.00091 -0.00410 0.00056 -0.00154 141 4XY 0.00029 -0.00007 -0.00464 0.00025 -0.00268 142 4XZ -0.00054 0.00135 0.00309 -0.00071 0.00096 143 4YZ 0.00015 -0.00045 -0.00248 -0.00024 -0.00067 144 14 H 1S -0.00541 0.01041 0.03257 0.00195 0.01284 145 2S -0.00775 0.01597 0.07260 0.00179 0.03248 146 15 H 1S 0.00460 -0.00834 -0.02096 -0.00122 -0.00173 147 2S 0.00058 -0.00144 -0.01126 0.00937 -0.00845 148 16 C 1S -0.00132 0.00220 0.01083 -0.00193 0.00764 149 2S 0.00423 -0.00346 -0.02677 0.00694 -0.01873 150 2PX -0.00160 0.00358 0.01974 -0.02129 0.01247 151 2PY 0.00502 -0.00693 -0.01965 0.01449 -0.01232 152 2PZ -0.00177 0.00437 0.02070 -0.01063 0.01574 153 3S -0.00154 -0.00126 -0.03340 -0.00501 -0.02241 154 3PX -0.00006 0.00173 0.02747 -0.01895 0.01914 155 3PY -0.00158 -0.00048 -0.00401 -0.01356 0.00617 156 3PZ -0.00375 0.00543 0.03186 -0.02256 0.01718 157 4XX -0.00036 0.00059 0.00376 0.00123 0.00193 158 4YY 0.00003 -0.00038 -0.00210 -0.00048 -0.00116 159 4ZZ 0.00000 0.00021 0.00161 0.00068 0.00190 160 4XY 0.00057 -0.00064 -0.00144 0.00182 -0.00107 161 4XZ -0.00054 0.00087 0.00666 0.00087 0.00511 162 4YZ 0.00003 0.00002 -0.00020 0.00044 -0.00041 163 17 H 1S -0.00140 0.00205 -0.00386 -0.01008 -0.00366 164 2S -0.00292 0.00285 0.00232 -0.02354 0.00593 165 18 C 1S -0.00071 0.00013 0.00150 -0.00043 0.00056 166 2S 0.00123 0.00021 -0.00522 -0.00150 -0.00146 167 2PX -0.00844 0.01896 0.08496 0.00525 0.07279 168 2PY 0.00103 -0.00062 -0.00740 -0.00122 -0.00585 169 2PZ -0.00466 0.00692 0.03504 -0.00060 0.02730 170 3S 0.00328 -0.00104 -0.01300 0.01906 -0.01108 171 3PX -0.00535 0.01142 0.06735 0.00862 0.06149 172 3PY 0.00050 -0.00033 -0.01278 0.00154 -0.01819 173 3PZ -0.00546 0.00758 0.03800 -0.00803 0.02944 174 4XX -0.00032 0.00046 0.00083 -0.00064 0.00080 175 4YY -0.00012 0.00005 -0.00037 -0.00062 -0.00058 176 4ZZ 0.00008 -0.00028 -0.00158 0.00104 -0.00084 177 4XY -0.00023 0.00067 -0.00048 0.00119 -0.00030 178 4XZ -0.00017 0.00027 0.00086 0.00036 0.00082 179 4YZ -0.00007 0.00058 0.00064 0.00004 0.00102 180 19 H 1S 0.00005 -0.00102 -0.00226 0.00026 -0.00314 181 2S 0.00107 -0.00301 -0.01301 0.00268 -0.01412 182 20 C 1S -0.00218 0.00219 -0.00678 0.00074 -0.00720 183 2S 0.00169 -0.01447 0.00990 -0.00194 0.00960 184 2PX 0.00918 -0.01121 -0.13335 -0.02348 -0.08120 185 2PY 0.00199 0.00056 -0.01647 -0.01292 -0.00659 186 2PZ 0.00254 -0.00246 -0.05617 -0.00929 -0.05397 187 3S 0.01601 -0.01269 -0.00207 -0.01355 0.02921 188 3PX -0.00305 0.00218 -0.08486 -0.01377 -0.05589 189 3PY -0.00327 -0.00228 -0.00057 0.01260 -0.00152 190 3PZ 0.00073 0.00203 -0.05379 -0.01906 -0.02397 191 4XX -0.00139 0.00239 0.00525 0.00211 0.00522 192 4YY 0.00047 -0.00220 -0.00421 -0.00137 -0.00200 193 4ZZ -0.00064 0.00033 0.00124 0.00080 -0.00237 194 4XY 0.00006 0.00036 0.00158 -0.00191 0.00130 195 4XZ -0.00124 0.00319 0.00557 0.00251 0.00142 196 4YZ -0.00011 0.00027 0.00119 -0.00045 0.00131 197 21 H 1S 0.00447 -0.00840 -0.01954 -0.01377 -0.00581 198 2S 0.00623 -0.00770 -0.02866 -0.02589 -0.02110 199 22 C 1S -0.00122 0.00134 0.00192 0.00052 0.00490 200 2S 0.00147 -0.00339 -0.01046 -0.00311 -0.01756 201 2PX -0.00780 0.02010 0.00171 0.01089 0.00487 202 2PY 0.00006 -0.00164 -0.00023 0.00067 -0.00610 203 2PZ -0.00418 0.01312 0.00999 0.00417 0.02129 204 3S -0.00203 -0.00290 0.03606 0.01224 0.00481 205 3PX -0.00777 0.01811 0.01456 0.01615 0.01046 206 3PY -0.00161 0.00164 -0.00331 0.00182 -0.01677 207 3PZ -0.00186 0.00857 -0.00679 -0.00422 0.00836 208 4XX -0.00055 0.00065 -0.00147 -0.00037 -0.00053 209 4YY -0.00015 0.00008 -0.00150 -0.00047 -0.00104 210 4ZZ -0.00041 -0.00025 0.00242 0.00082 0.00122 211 4XY 0.00054 -0.00073 -0.00500 -0.00090 -0.00406 212 4XZ -0.00043 0.00067 0.00495 0.00039 0.00452 213 4YZ 0.00011 -0.00024 -0.00176 0.00013 -0.00103 214 23 H 1S 0.00052 -0.00025 0.00083 0.00022 0.00071 215 2S 0.00034 -0.00052 -0.00012 0.00285 0.00436 51 52 53 54 55 51 3S 0.55236 52 3PX -0.00104 0.14603 53 3PY -0.01285 0.00736 0.07151 54 3PZ 0.07389 0.03721 0.01105 0.11604 55 4XX -0.00898 -0.00230 0.00089 0.00165 0.00093 56 4YY -0.00621 0.00092 -0.00199 -0.00147 -0.00013 57 4ZZ -0.00269 0.00287 0.00270 -0.00254 0.00020 58 4XY -0.00210 0.00018 -0.00232 -0.00485 -0.00012 59 4XZ -0.00806 0.00193 -0.00230 0.00125 0.00015 60 4YZ -0.00550 -0.00461 -0.00064 0.00387 0.00037 61 5 C 1S 0.02147 0.00202 -0.01943 0.00470 -0.00240 62 2S -0.00342 -0.01796 0.03209 0.00731 0.00396 63 2PX 0.13527 -0.03631 0.06596 0.07119 -0.00421 64 2PY -0.11984 0.06382 0.01831 -0.06102 -0.00303 65 2PZ -0.11688 0.09361 -0.04986 -0.02878 -0.00344 66 3S -0.04750 -0.01690 0.01979 0.00295 0.00431 67 3PX -0.01869 0.01172 0.01056 0.00364 -0.00200 68 3PY 0.02520 0.00862 0.00082 0.00393 -0.00089 69 3PZ 0.00537 0.01651 -0.00061 0.00442 -0.00233 70 4XX 0.01389 0.00442 0.00078 0.00720 -0.00002 71 4YY -0.00702 -0.00040 -0.00247 -0.00314 -0.00022 72 4ZZ 0.00157 -0.00298 -0.00097 -0.00337 -0.00016 73 4XY -0.02524 0.00198 -0.00001 -0.00877 -0.00003 74 4XZ -0.00725 0.00090 -0.00159 0.00091 0.00012 75 4YZ 0.02372 -0.01027 -0.00040 0.00046 -0.00036 76 6 C 1S 0.02803 -0.00960 0.00596 0.00732 -0.00039 77 2S -0.06313 0.02523 -0.00648 -0.01698 0.00064 78 2PX -0.09757 0.02739 -0.02911 -0.02460 -0.00055 79 2PY -0.04061 0.00855 -0.01436 -0.00735 0.00118 80 2PZ 0.09610 -0.04227 0.02710 0.02496 -0.00423 81 3S -0.16553 0.04543 -0.00213 -0.03362 0.00109 82 3PX -0.04212 0.00800 -0.01547 -0.01275 -0.00077 83 3PY -0.00280 0.02154 -0.01961 -0.01593 -0.00052 84 3PZ 0.02886 -0.01957 0.01373 0.00809 -0.00192 85 4XX 0.00299 -0.00012 0.00079 0.00248 -0.00008 86 4YY -0.00007 0.00159 0.00049 -0.00109 -0.00012 87 4ZZ 0.00151 -0.00286 0.00000 0.00017 0.00020 88 4XY -0.00442 0.00247 -0.00037 -0.00138 0.00010 89 4XZ -0.00138 0.00134 -0.00039 -0.00145 -0.00008 90 4YZ 0.00425 -0.00153 0.00134 0.00175 -0.00010 91 7 H 1S -0.00770 0.00382 -0.00592 -0.00547 0.00037 92 2S -0.04024 0.00438 0.00158 -0.01122 0.00072 93 8 H 1S -0.04698 -0.00653 0.02109 0.00997 0.00135 94 2S -0.02018 -0.01355 0.01611 0.01769 0.00221 95 9 H 1S 0.11212 0.03926 0.03220 -0.08495 -0.00524 96 2S -0.00279 0.03307 0.02223 -0.07424 -0.00224 97 10 H 1S 0.04514 -0.02151 0.01478 0.01577 -0.00068 98 2S 0.08858 -0.04110 0.01263 0.03016 -0.00038 99 11 O 1S -0.00167 -0.00161 0.00194 0.00184 0.00016 100 2S 0.01150 0.00229 -0.00805 -0.00317 -0.00031 101 2PX 0.11198 -0.01613 -0.09696 -0.00946 0.00021 102 2PY 0.07060 0.00333 -0.03532 0.01028 -0.00031 103 2PZ -0.09394 -0.04197 0.05298 -0.01826 0.00221 104 3S 0.01264 0.00544 -0.01078 0.00324 -0.00095 105 3PX 0.07833 -0.01431 -0.06898 -0.00664 0.00025 106 3PY 0.04090 0.00409 -0.02087 0.00901 -0.00042 107 3PZ -0.07317 -0.02970 0.03761 -0.01612 0.00175 108 4XX -0.00061 -0.00012 0.00017 -0.00056 0.00002 109 4YY 0.00289 0.00032 -0.00108 0.00043 0.00004 110 4ZZ -0.00254 -0.00080 0.00114 -0.00081 0.00004 111 4XY 0.00476 -0.00048 -0.00386 -0.00031 0.00002 112 4XZ 0.00040 -0.00051 -0.00042 -0.00030 -0.00001 113 4YZ -0.00242 -0.00206 0.00172 -0.00034 0.00006 114 12 O 1S 0.00201 0.00422 0.00139 -0.00517 -0.00033 115 2S -0.02015 -0.00453 0.00300 0.00341 0.00089 116 2PX -0.26814 0.00928 0.03055 -0.08668 -0.00461 117 2PY 0.11158 -0.05168 -0.02309 0.05173 -0.00098 118 2PZ 0.19640 -0.05348 -0.01926 -0.01450 -0.00524 119 3S 0.00362 -0.01891 -0.01020 0.01951 0.00005 120 3PX -0.19414 0.00359 0.01539 -0.06569 -0.00287 121 3PY 0.05628 -0.02917 -0.00974 0.02467 -0.00028 122 3PZ 0.14704 -0.04799 -0.01177 -0.01044 -0.00332 123 4XX 0.00018 0.00029 0.00040 0.00054 -0.00007 124 4YY -0.00636 0.00270 0.00204 -0.00303 0.00024 125 4ZZ 0.00279 -0.00060 -0.00085 -0.00020 -0.00007 126 4XY 0.00856 0.00029 -0.00340 0.00228 0.00029 127 4XZ -0.00066 -0.00015 -0.00030 -0.00033 -0.00007 128 4YZ -0.00407 -0.00071 0.00185 0.00189 0.00032 129 13 C 1S 0.01056 0.00879 0.00132 0.00496 -0.00106 130 2S -0.02314 -0.01914 -0.00475 -0.01306 0.00239 131 2PX 0.03797 0.02764 0.00703 0.02078 -0.00532 132 2PY 0.01710 0.01353 -0.02065 0.00322 0.00217 133 2PZ 0.02277 -0.00402 0.00927 -0.00387 -0.00087 134 3S -0.03458 -0.03148 -0.00632 -0.02405 0.00227 135 3PX 0.01293 -0.00020 0.00292 0.00530 -0.00193 136 3PY -0.00063 0.00433 -0.00650 -0.00196 0.00087 137 3PZ 0.01409 0.00487 0.01108 -0.00357 -0.00094 138 4XX 0.00397 0.00505 0.00106 0.00355 -0.00032 139 4YY -0.00059 -0.00243 0.00007 -0.00128 0.00015 140 4ZZ -0.00235 -0.00205 -0.00042 -0.00146 0.00009 141 4XY -0.00165 -0.00379 0.00129 -0.00231 -0.00016 142 4XZ 0.00206 0.00244 0.00027 0.00122 -0.00021 143 4YZ 0.00093 -0.00186 -0.00073 -0.00062 0.00000 144 14 H 1S 0.02441 0.02303 0.00593 0.01598 -0.00286 145 2S 0.03524 0.04942 0.00928 0.03249 -0.00323 146 15 H 1S -0.02598 -0.00819 -0.00800 -0.00706 0.00146 147 2S -0.01280 -0.00173 -0.00086 -0.00645 0.00034 148 16 C 1S 0.00299 0.00714 0.00013 0.00882 -0.00034 149 2S -0.02526 -0.02161 0.00871 -0.02310 0.00064 150 2PX 0.00813 0.02348 -0.01131 0.01529 0.00124 151 2PY -0.04043 -0.02178 0.02223 -0.01287 0.00065 152 2PZ -0.00102 0.03431 -0.01031 0.00853 0.00030 153 3S -0.01584 -0.02721 0.00052 -0.02744 0.00113 154 3PX -0.00387 0.02707 -0.00568 0.01733 0.00081 155 3PY -0.00446 -0.00508 -0.00402 0.00058 0.00052 156 3PZ 0.00931 0.03303 -0.01609 0.01289 0.00055 157 4XX 0.00161 0.00212 0.00141 0.00215 -0.00022 158 4YY 0.00088 -0.00167 -0.00167 -0.00096 0.00017 159 4ZZ -0.00023 0.00207 0.00056 0.00136 0.00000 160 4XY -0.00087 -0.00091 0.00113 -0.00057 0.00002 161 4XZ 0.00251 0.00542 0.00124 0.00391 -0.00006 162 4YZ 0.00054 0.00029 -0.00018 -0.00021 -0.00005 163 17 H 1S 0.01536 -0.00112 -0.01345 -0.00344 0.00023 164 2S 0.02470 0.00447 -0.02549 0.00374 0.00050 165 18 C 1S 0.00626 -0.00054 -0.00176 0.00212 -0.00015 166 2S -0.01339 0.00133 0.00239 -0.00548 0.00036 167 2PX 0.03555 0.08380 0.01667 0.05241 -0.00045 168 2PY -0.00474 -0.01021 0.00150 -0.00332 -0.00025 169 2PZ 0.03424 0.02333 0.00439 0.02733 -0.00024 170 3S -0.02486 -0.00946 0.02375 -0.00872 -0.00125 171 3PX 0.02656 0.06243 0.01403 0.04431 -0.00021 172 3PY -0.00834 -0.01438 0.00543 -0.01129 -0.00058 173 3PZ 0.02363 0.03106 -0.00321 0.02224 0.00041 174 4XX 0.00125 0.00076 -0.00042 0.00082 -0.00002 175 4YY 0.00103 -0.00053 -0.00095 -0.00007 -0.00002 176 4ZZ -0.00134 -0.00153 0.00083 -0.00107 0.00006 177 4XY 0.00161 -0.00028 0.00135 -0.00007 -0.00013 178 4XZ 0.00068 0.00017 0.00025 0.00052 -0.00008 179 4YZ 0.00047 0.00148 0.00033 0.00014 -0.00002 180 19 H 1S 0.00377 -0.00500 0.00061 0.00007 0.00012 181 2S 0.00009 -0.01575 0.00159 -0.00602 -0.00012 182 20 C 1S 0.01394 0.00429 0.00078 -0.00188 -0.00141 183 2S 0.00293 -0.00446 -0.01058 0.01156 0.00265 184 2PX -0.02582 -0.08698 -0.00041 -0.06898 -0.00058 185 2PY -0.02240 -0.01614 0.02026 -0.00350 -0.00179 186 2PZ -0.00318 -0.05258 -0.00052 -0.02786 -0.00455 187 3S 0.00039 -0.01465 -0.00926 0.01976 0.00317 188 3PX 0.00311 -0.05789 -0.00283 -0.04285 -0.00115 189 3PY 0.00354 0.00089 0.00836 0.00152 -0.00050 190 3PZ -0.00865 -0.04244 0.00175 -0.02067 -0.00255 191 4XX 0.00415 0.00465 0.00086 0.00347 -0.00017 192 4YY -0.00485 -0.00346 0.00045 -0.00211 0.00022 193 4ZZ 0.00037 0.00100 -0.00005 -0.00087 -0.00016 194 4XY -0.00042 0.00047 -0.00023 0.00095 -0.00005 195 4XZ 0.00461 0.00411 0.00218 0.00177 -0.00024 196 4YZ 0.00041 0.00151 -0.00073 0.00035 0.00015 197 21 H 1S -0.02220 -0.01992 0.00741 -0.00517 0.00065 198 2S -0.04323 -0.02642 0.00698 -0.01906 -0.00036 199 22 C 1S 0.00102 0.00364 0.00106 0.00376 0.00003 200 2S -0.00103 -0.01387 -0.00560 -0.00825 -0.00080 201 2PX 0.04089 0.01005 0.02333 0.00629 -0.00315 202 2PY 0.00490 -0.00167 -0.00179 -0.00163 -0.00050 203 2PZ 0.00993 0.02546 0.01587 0.00353 0.00071 204 3S 0.02344 0.02848 -0.01174 0.01374 -0.00010 205 3PX 0.03345 0.01787 0.01978 0.00845 -0.00204 206 3PY -0.00412 -0.00648 0.00428 -0.00896 -0.00083 207 3PZ 0.00327 -0.00107 0.01072 -0.00018 -0.00028 208 4XX 0.00004 -0.00062 0.00033 -0.00075 -0.00006 209 4YY -0.00174 -0.00073 0.00061 -0.00117 0.00003 210 4ZZ 0.00098 0.00137 -0.00064 0.00108 0.00017 211 4XY -0.00163 -0.00466 -0.00071 -0.00283 -0.00004 212 4XZ 0.00111 0.00354 0.00023 0.00322 0.00000 213 4YZ -0.00132 -0.00061 -0.00036 -0.00154 0.00010 214 23 H 1S -0.00219 0.00585 -0.00075 -0.00370 0.00076 215 2S -0.00114 0.00752 -0.00143 -0.00278 0.00104 56 57 58 59 60 56 4YY 0.00091 57 4ZZ -0.00025 0.00090 58 4XY 0.00001 0.00025 0.00093 59 4XZ 0.00030 -0.00016 0.00018 0.00064 60 4YZ 0.00011 -0.00030 -0.00036 0.00020 0.00124 61 5 C 1S 0.00051 -0.00068 0.00402 0.00357 -0.00331 62 2S -0.00236 0.00029 -0.00796 -0.00742 0.00642 63 2PX -0.00168 -0.00028 -0.00490 -0.00344 0.00771 64 2PY 0.00969 -0.00009 0.00036 0.00750 -0.00048 65 2PZ 0.00114 0.00747 0.00748 0.00137 -0.00269 66 3S -0.00247 0.00054 -0.00503 -0.00458 0.00689 67 3PX 0.00071 0.00148 -0.00040 -0.00047 0.00270 68 3PY -0.00095 0.00166 0.00196 0.00148 -0.00189 69 3PZ 0.00046 0.00201 0.00169 -0.00021 0.00071 70 4XX -0.00047 0.00006 0.00009 0.00006 -0.00036 71 4YY 0.00071 -0.00026 0.00010 0.00037 0.00013 72 4ZZ -0.00032 0.00030 0.00045 -0.00017 -0.00048 73 4XY 0.00025 0.00047 0.00043 -0.00003 -0.00014 74 4XZ 0.00028 -0.00018 0.00003 0.00047 0.00016 75 4YZ -0.00022 -0.00019 0.00011 -0.00028 0.00034 76 6 C 1S 0.00028 -0.00093 -0.00051 0.00054 0.00067 77 2S -0.00041 0.00206 0.00091 -0.00115 -0.00153 78 2PX -0.00210 0.00550 0.00208 -0.00325 -0.00057 79 2PY -0.00089 0.00198 0.00084 -0.00160 -0.00053 80 2PZ 0.00212 -0.00171 -0.00102 0.00274 0.00244 81 3S -0.00022 0.00383 0.00279 -0.00020 -0.00410 82 3PX -0.00135 0.00316 0.00183 -0.00128 -0.00108 83 3PY 0.00028 0.00140 0.00117 -0.00011 -0.00138 84 3PZ 0.00127 -0.00069 -0.00095 0.00092 0.00212 85 4XX -0.00005 0.00003 -0.00011 -0.00006 0.00018 86 4YY 0.00017 0.00001 0.00001 0.00013 -0.00005 87 4ZZ -0.00008 -0.00016 -0.00015 -0.00012 0.00007 88 4XY -0.00002 0.00016 0.00010 -0.00011 -0.00001 89 4XZ 0.00013 0.00000 0.00014 0.00022 -0.00013 90 4YZ 0.00007 -0.00020 -0.00004 0.00014 0.00014 91 7 H 1S -0.00005 0.00042 0.00073 -0.00025 -0.00059 92 2S -0.00002 0.00098 0.00224 -0.00040 -0.00169 93 8 H 1S 0.00186 0.00066 -0.00344 0.00020 0.00831 94 2S -0.00094 0.00114 -0.00371 -0.00016 0.00793 95 9 H 1S -0.00403 0.00768 0.00529 -0.00573 -0.01190 96 2S -0.00322 0.00734 0.00537 -0.00340 -0.01004 97 10 H 1S 0.00080 -0.00163 -0.00111 0.00098 0.00107 98 2S -0.00050 -0.00224 -0.00171 0.00032 0.00211 99 11 O 1S 0.00019 0.00015 0.00003 -0.00008 -0.00001 100 2S -0.00026 -0.00015 -0.00032 0.00027 -0.00001 101 2PX 0.00024 -0.00196 -0.00027 0.00077 0.00343 102 2PY -0.00034 0.00000 -0.00181 0.00024 0.00058 103 2PZ -0.00003 0.00083 0.00368 0.00106 0.00019 104 3S 0.00027 -0.00158 0.00053 0.00022 -0.00032 105 3PX 0.00017 -0.00171 -0.00013 0.00068 0.00299 106 3PY 0.00000 -0.00037 -0.00095 0.00009 0.00018 107 3PZ 0.00008 0.00066 0.00324 0.00085 0.00012 108 4XX 0.00000 0.00004 -0.00005 -0.00001 -0.00002 109 4YY -0.00004 0.00010 -0.00006 0.00001 0.00001 110 4ZZ -0.00001 0.00006 0.00000 0.00001 0.00005 111 4XY 0.00003 -0.00004 0.00005 0.00002 -0.00001 112 4XZ 0.00001 -0.00003 0.00002 0.00001 -0.00001 113 4YZ -0.00004 0.00001 -0.00002 0.00002 0.00008 114 12 O 1S -0.00117 0.00000 0.00035 0.00003 -0.00031 115 2S 0.00258 0.00039 -0.00061 0.00049 0.00057 116 2PX 0.00726 0.00261 0.00086 -0.00077 0.00391 117 2PY -0.00753 0.00258 0.00534 -0.00369 -0.00288 118 2PZ -0.00215 0.00372 0.00415 -0.00211 0.00262 119 3S 0.00221 -0.00064 0.00035 -0.00055 -0.00016 120 3PX 0.00505 0.00163 0.00112 -0.00046 0.00210 121 3PY -0.00424 0.00194 0.00300 -0.00202 -0.00146 122 3PZ -0.00179 0.00206 0.00255 -0.00172 0.00190 123 4XX -0.00008 0.00009 0.00010 0.00005 0.00001 124 4YY 0.00030 -0.00012 -0.00047 0.00011 0.00023 125 4ZZ -0.00016 0.00013 0.00020 0.00003 -0.00009 126 4XY -0.00031 -0.00011 0.00014 0.00011 -0.00041 127 4XZ 0.00007 0.00003 0.00004 0.00001 0.00009 128 4YZ 0.00001 -0.00035 -0.00034 0.00005 -0.00006 129 13 C 1S 0.00026 0.00006 -0.00011 -0.00009 -0.00034 130 2S -0.00089 -0.00059 0.00039 0.00036 0.00047 131 2PX 0.00127 0.00132 -0.00018 -0.00111 -0.00090 132 2PY -0.00063 -0.00133 -0.00064 0.00055 0.00053 133 2PZ 0.00023 0.00063 0.00004 0.00075 -0.00070 134 3S -0.00081 -0.00033 0.00086 -0.00044 0.00125 135 3PX 0.00026 0.00079 0.00041 -0.00007 -0.00007 136 3PY -0.00003 -0.00059 -0.00066 -0.00007 0.00037 137 3PZ 0.00001 0.00103 -0.00010 -0.00078 -0.00044 138 4XX 0.00003 0.00014 -0.00018 0.00008 -0.00021 139 4YY 0.00000 -0.00005 0.00014 0.00003 0.00009 140 4ZZ -0.00004 0.00000 0.00005 -0.00014 0.00011 141 4XY 0.00009 -0.00002 -0.00028 -0.00024 -0.00016 142 4XZ 0.00009 -0.00001 -0.00005 -0.00007 -0.00007 143 4YZ 0.00000 -0.00008 -0.00020 -0.00007 -0.00005 144 14 H 1S 0.00049 0.00086 -0.00055 -0.00017 -0.00099 145 2S 0.00067 0.00078 -0.00173 0.00003 -0.00182 146 15 H 1S -0.00046 -0.00053 0.00021 -0.00063 0.00077 147 2S -0.00027 0.00016 0.00012 -0.00145 0.00047 148 16 C 1S 0.00001 -0.00017 0.00035 0.00011 0.00047 149 2S 0.00003 0.00044 -0.00044 -0.00039 -0.00046 150 2PX -0.00014 0.00020 0.00661 0.00229 0.00434 151 2PY 0.00001 0.00026 -0.00138 -0.00045 -0.00057 152 2PZ -0.00007 0.00056 0.00292 0.00109 0.00279 153 3S 0.00004 -0.00010 0.00036 0.00031 -0.00140 154 3PX 0.00015 0.00017 0.00443 0.00205 0.00318 155 3PY 0.00026 -0.00060 -0.00013 0.00097 0.00017 156 3PZ 0.00008 -0.00013 0.00295 0.00182 0.00146 157 4XX 0.00005 0.00004 -0.00019 -0.00007 -0.00023 158 4YY -0.00010 -0.00002 0.00015 0.00011 0.00007 159 4ZZ 0.00000 0.00000 -0.00006 -0.00007 0.00014 160 4XY -0.00002 0.00004 0.00003 -0.00007 0.00004 161 4XZ 0.00007 -0.00005 -0.00021 -0.00006 -0.00001 162 4YZ 0.00001 0.00007 0.00008 -0.00002 0.00004 163 17 H 1S -0.00010 -0.00011 0.00121 0.00047 0.00035 164 2S -0.00003 -0.00064 0.00159 0.00138 0.00124 165 18 C 1S -0.00018 -0.00030 -0.00011 0.00015 -0.00013 166 2S 0.00026 0.00032 0.00063 -0.00009 0.00075 167 2PX 0.00095 -0.00077 0.00000 -0.00128 0.00126 168 2PY 0.00052 0.00011 0.00016 -0.00055 -0.00056 169 2PZ 0.00027 -0.00104 -0.00046 -0.00032 -0.00054 170 3S 0.00059 0.00069 -0.00178 -0.00221 -0.00037 171 3PX 0.00056 -0.00057 -0.00059 -0.00077 0.00083 172 3PY 0.00037 0.00016 -0.00016 -0.00080 -0.00114 173 3PZ 0.00017 -0.00066 0.00075 0.00069 0.00013 174 4XX 0.00001 -0.00003 0.00008 0.00003 0.00005 175 4YY 0.00000 0.00001 0.00006 0.00002 0.00002 176 4ZZ -0.00003 0.00000 -0.00014 -0.00002 -0.00007 177 4XY 0.00005 -0.00006 -0.00031 -0.00026 -0.00021 178 4XZ 0.00001 -0.00002 -0.00022 -0.00006 -0.00020 179 4YZ 0.00006 -0.00005 -0.00005 -0.00011 -0.00002 180 19 H 1S -0.00019 -0.00013 -0.00019 0.00020 -0.00013 181 2S -0.00025 0.00005 -0.00042 -0.00011 -0.00050 182 20 C 1S -0.00017 -0.00029 -0.00080 -0.00098 -0.00075 183 2S -0.00115 -0.00051 0.00190 0.00283 0.00157 184 2PX 0.00206 -0.00288 -0.00344 -0.00522 -0.00189 185 2PY 0.00193 -0.00084 0.00098 -0.00137 0.00051 186 2PZ 0.00100 0.00124 -0.00231 -0.00248 -0.00179 187 3S -0.00084 -0.00170 0.00171 0.00430 0.00277 188 3PX 0.00108 -0.00164 -0.00278 -0.00375 -0.00217 189 3PY 0.00019 0.00039 0.00063 -0.00101 0.00047 190 3PZ 0.00136 -0.00067 -0.00285 -0.00202 -0.00074 191 4XX -0.00004 0.00010 -0.00013 -0.00005 -0.00002 192 4YY 0.00008 -0.00010 0.00012 0.00004 0.00009 193 4ZZ 0.00002 0.00011 -0.00011 -0.00018 -0.00022 194 4XY 0.00006 -0.00004 0.00002 0.00010 0.00001 195 4XZ 0.00003 0.00003 -0.00024 -0.00026 -0.00031 196 4YZ -0.00004 -0.00008 -0.00004 0.00005 -0.00001 197 21 H 1S 0.00092 -0.00122 0.00140 0.00023 0.00106 198 2S 0.00160 -0.00101 0.00069 -0.00051 0.00024 199 22 C 1S -0.00028 -0.00079 -0.00004 -0.00001 0.00017 200 2S 0.00015 0.00083 -0.00008 -0.00006 -0.00045 201 2PX 0.00166 -0.00164 -0.00547 -0.00564 -0.00350 202 2PY -0.00034 0.00014 -0.00064 0.00027 -0.00022 203 2PZ 0.00110 -0.00184 -0.00156 -0.00236 -0.00091 204 3S -0.00093 0.00164 0.00126 0.00030 -0.00032 205 3PX 0.00092 -0.00097 -0.00391 -0.00405 -0.00288 206 3PY 0.00014 0.00026 -0.00067 -0.00061 -0.00123 207 3PZ 0.00100 -0.00148 -0.00232 -0.00147 -0.00100 208 4XX 0.00005 -0.00005 -0.00007 -0.00013 -0.00003 209 4YY 0.00008 -0.00004 0.00005 -0.00007 0.00002 210 4ZZ -0.00011 0.00003 0.00009 0.00020 0.00005 211 4XY 0.00000 -0.00001 -0.00004 -0.00001 -0.00009 212 4XZ -0.00004 0.00004 0.00006 0.00015 0.00007 213 4YZ -0.00002 0.00001 -0.00002 0.00000 0.00000 214 23 H 1S 0.00000 -0.00015 0.00009 0.00016 0.00009 215 2S -0.00022 -0.00005 0.00060 0.00029 0.00075 61 62 63 64 65 61 5 C 1S 2.05393 62 2S -0.07106 0.35893 63 2PX -0.00043 0.00235 0.35086 64 2PY 0.00315 -0.00827 -0.01833 0.42508 65 2PZ 0.00113 -0.00373 -0.07307 -0.01267 0.35655 66 3S -0.14865 0.25178 0.00327 -0.04105 0.01454 67 3PX -0.00856 0.00977 0.09899 0.02233 0.04793 68 3PY 0.06260 -0.08420 0.01343 -0.00902 0.00455 69 3PZ -0.00688 0.00946 0.04581 0.01337 0.10196 70 4XX -0.01176 -0.01381 0.00149 -0.01380 -0.00165 71 4YY -0.01515 -0.00380 0.00052 0.01736 0.00107 72 4ZZ -0.01176 -0.01366 -0.00080 -0.01484 0.00237 73 4XY 0.00068 -0.00225 -0.00093 -0.00291 0.01475 74 4XZ 0.00267 -0.00583 -0.00236 0.00756 -0.00237 75 4YZ 0.00057 -0.00148 0.01464 -0.00069 -0.00227 76 6 C 1S 0.01383 -0.02710 0.03905 0.03449 -0.04764 77 2S -0.02918 0.05105 -0.07861 -0.06334 0.09862 78 2PX -0.03981 0.08438 -0.04547 -0.08536 0.16018 79 2PY -0.03693 0.08190 -0.08835 -0.07502 0.11637 80 2PZ 0.04795 -0.09907 0.15463 0.11519 -0.09805 81 3S 0.02212 -0.01059 -0.10984 -0.11834 0.11357 82 3PX 0.00571 0.00459 -0.01426 -0.05512 0.07363 83 3PY -0.01796 0.02667 -0.05645 0.02131 0.07151 84 3PZ -0.00328 -0.00867 0.07117 0.06948 -0.03650 85 4XX -0.00091 0.00120 0.00657 -0.00112 0.00086 86 4YY 0.00017 -0.00183 0.00075 0.00938 -0.00080 87 4ZZ -0.00245 0.00401 -0.00278 -0.00322 -0.00500 88 4XY -0.00338 0.00659 -0.00292 -0.00120 0.00755 89 4XZ 0.00322 -0.00649 -0.00005 0.00705 -0.00253 90 4YZ 0.00422 -0.00806 0.00758 0.00100 -0.00541 91 7 H 1S -0.00870 0.01984 -0.02049 -0.02159 0.02622 92 2S -0.01164 0.02370 -0.03372 -0.03194 0.04403 93 8 H 1S -0.00715 0.01651 0.02617 -0.01590 -0.01421 94 2S -0.00978 0.02054 0.04145 -0.02333 -0.02513 95 9 H 1S 0.01057 -0.02370 -0.03594 0.01176 0.02695 96 2S 0.01894 -0.03653 -0.06585 -0.00948 0.05525 97 10 H 1S 0.01118 -0.02464 0.03221 0.01467 -0.03620 98 2S 0.02051 -0.03682 0.06360 -0.00994 -0.06802 99 11 O 1S -0.00038 0.00090 0.00020 0.00037 0.00015 100 2S -0.00075 0.00027 -0.00125 0.00236 -0.00068 101 2PX 0.00016 -0.00113 -0.00827 -0.00274 -0.01468 102 2PY -0.00199 0.00844 0.00112 -0.00815 0.00277 103 2PZ -0.00017 -0.00163 -0.01108 -0.00277 -0.00524 104 3S 0.01076 -0.01491 0.00149 -0.01326 -0.00078 105 3PX 0.00074 -0.00216 -0.00364 -0.00218 -0.01308 106 3PY 0.00103 0.00191 0.00165 -0.00863 0.00317 107 3PZ -0.00015 -0.00170 -0.01013 -0.00196 -0.00157 108 4XX -0.00071 0.00063 -0.00047 0.00110 -0.00030 109 4YY -0.00048 0.00076 0.00017 0.00033 0.00039 110 4ZZ -0.00072 0.00062 -0.00030 0.00118 -0.00030 111 4XY 0.00001 0.00006 -0.00089 -0.00045 -0.00032 112 4XZ 0.00013 -0.00027 -0.00018 0.00012 -0.00030 113 4YZ -0.00006 0.00014 -0.00017 -0.00031 -0.00094 114 12 O 1S 0.01198 -0.01352 0.00590 -0.04791 0.00441 115 2S -0.02019 0.02283 -0.01445 0.10930 -0.01152 116 2PX -0.01450 0.02855 0.19015 0.08819 0.11278 117 2PY 0.10093 -0.21648 0.08692 -0.37713 0.06854 118 2PZ -0.00995 0.02131 0.11509 0.06623 0.18702 119 3S -0.01542 -0.03041 0.00370 0.02842 0.00358 120 3PX -0.00797 0.01427 0.10941 0.04923 0.08137 121 3PY 0.05777 -0.11230 0.04683 -0.19827 0.03870 122 3PZ -0.00549 0.01108 0.08263 0.03834 0.10514 123 4XX 0.00416 -0.00502 0.00433 -0.00411 0.00086 124 4YY -0.00877 0.01901 -0.00788 0.02077 -0.00615 125 4ZZ 0.00428 -0.00521 0.00085 -0.00477 0.00280 126 4XY 0.00202 -0.00381 -0.01672 -0.00679 -0.00289 127 4XZ -0.00018 0.00046 0.00202 0.00184 0.00266 128 4YZ 0.00135 -0.00243 -0.00293 -0.00488 -0.01710 129 13 C 1S 0.00064 -0.00136 -0.00061 0.00150 0.00306 130 2S -0.00211 0.00349 0.00038 -0.00365 -0.00892 131 2PX 0.00170 -0.00527 0.00332 0.00589 0.01031 132 2PY -0.00108 0.00466 0.00379 -0.00228 -0.00125 133 2PZ 0.00147 -0.00157 -0.00305 0.00238 0.00371 134 3S 0.00063 0.00274 0.01974 -0.01100 -0.00047 135 3PX -0.00108 -0.00029 0.00327 0.00306 -0.00235 136 3PY -0.00115 0.00412 0.01020 -0.00115 0.00150 137 3PZ 0.00135 0.00118 0.00967 -0.00389 0.01145 138 4XX 0.00049 -0.00099 -0.00025 0.00091 0.00137 139 4YY -0.00006 0.00020 -0.00003 -0.00030 -0.00052 140 4ZZ -0.00027 0.00072 0.00067 -0.00084 -0.00067 141 4XY -0.00043 0.00105 0.00026 -0.00097 -0.00162 142 4XZ 0.00005 -0.00025 -0.00004 0.00057 0.00081 143 4YZ -0.00013 0.00068 0.00046 -0.00054 -0.00088 144 14 H 1S 0.00151 -0.00432 0.00005 0.00482 0.00686 145 2S 0.00321 -0.00689 -0.00474 0.00783 0.01284 146 15 H 1S -0.00202 0.00337 0.00309 -0.00388 -0.00502 147 2S -0.00129 0.00424 0.00712 -0.00592 0.00249 148 16 C 1S 0.00044 -0.00078 0.00151 0.00140 0.00328 149 2S -0.00118 0.00248 0.00039 -0.00421 -0.00767 150 2PX 0.00337 -0.01223 0.00014 0.01195 0.02322 151 2PY -0.00147 0.00461 0.00004 -0.00597 -0.00955 152 2PZ 0.00166 -0.00576 0.00476 0.00573 0.01344 153 3S 0.00165 -0.00238 -0.01535 -0.00265 -0.00949 154 3PX 0.00215 -0.00935 0.00056 0.01215 0.01860 155 3PY 0.00072 -0.00217 -0.00966 0.00502 -0.00568 156 3PZ 0.00456 -0.01138 -0.00859 0.01036 0.01409 157 4XX 0.00027 -0.00013 0.00020 -0.00003 0.00038 158 4YY 0.00010 -0.00015 -0.00001 -0.00003 -0.00023 159 4ZZ -0.00012 0.00039 0.00113 -0.00034 0.00024 160 4XY -0.00029 0.00051 0.00038 -0.00028 -0.00035 161 4XZ -0.00007 0.00044 0.00105 -0.00009 0.00131 162 4YZ 0.00005 -0.00007 0.00009 -0.00003 0.00017 163 17 H 1S 0.00092 -0.00307 -0.00210 0.00300 0.00290 164 2S 0.00198 -0.00613 -0.00549 0.00821 0.00229 165 18 C 1S 0.00026 0.00003 -0.00032 -0.00025 0.00028 166 2S 0.00058 -0.00071 0.00017 -0.00070 -0.00099 167 2PX -0.00155 0.00533 0.02102 0.00101 0.02517 168 2PY 0.00041 0.00009 -0.00287 0.00120 -0.00179 169 2PZ -0.00026 0.00136 0.00303 0.00154 0.00756 170 3S -0.01012 0.01398 0.01175 0.00157 -0.00530 171 3PX -0.00148 0.00494 0.01656 -0.00152 0.01677 172 3PY -0.00247 0.00265 -0.00430 0.00287 -0.00214 173 3PZ 0.00419 -0.00569 -0.00101 0.00148 0.01207 174 4XX 0.00025 -0.00021 0.00027 -0.00019 0.00058 175 4YY 0.00018 -0.00022 -0.00028 0.00020 0.00004 176 4ZZ -0.00004 0.00035 0.00011 -0.00081 -0.00096 177 4XY -0.00019 0.00100 0.00076 -0.00072 -0.00061 178 4XZ -0.00004 0.00021 -0.00004 -0.00019 -0.00045 179 4YZ -0.00005 0.00024 0.00072 -0.00012 0.00007 180 19 H 1S -0.00011 0.00004 -0.00185 -0.00036 -0.00162 181 2S -0.00126 0.00225 -0.00310 -0.00171 -0.00367 182 20 C 1S -0.00136 0.00288 0.00432 -0.00208 0.00038 183 2S 0.00375 -0.00716 -0.01331 0.00151 0.00082 184 2PX -0.00681 0.02262 -0.00001 -0.01917 -0.02886 185 2PY 0.00016 -0.00132 -0.00716 -0.00125 -0.00458 186 2PZ -0.00106 0.00430 -0.00636 -0.00370 -0.00975 187 3S -0.00550 0.00077 -0.01958 0.02224 -0.02711 188 3PX -0.00453 0.01466 -0.00837 -0.01688 -0.02211 189 3PY 0.00489 -0.00248 0.00684 -0.00707 0.01080 190 3PZ -0.00601 0.01129 0.01184 -0.00023 -0.01489 191 4XX -0.00052 0.00071 0.00315 -0.00045 0.00160 192 4YY -0.00010 -0.00007 -0.00189 -0.00051 -0.00088 193 4ZZ 0.00006 -0.00030 -0.00090 0.00002 0.00055 194 4XY 0.00026 -0.00075 -0.00088 0.00052 0.00020 195 4XZ 0.00005 0.00030 0.00146 -0.00017 0.00114 196 4YZ -0.00006 -0.00002 0.00015 -0.00001 0.00016 197 21 H 1S 0.00070 -0.00179 -0.01145 -0.00065 -0.00600 198 2S -0.00093 -0.00124 -0.00499 -0.00274 -0.00139 199 22 C 1S -0.00144 0.00187 0.00260 -0.00070 0.00091 200 2S 0.00057 -0.00312 -0.00900 0.00407 -0.00565 201 2PX -0.00505 0.02017 0.01801 -0.01263 -0.00397 202 2PY 0.00048 -0.00201 -0.00263 -0.00033 -0.00265 203 2PZ -0.00281 0.00781 0.01448 -0.00577 -0.00471 204 3S 0.01618 -0.01801 -0.01134 -0.01255 0.01531 205 3PX -0.00431 0.01439 0.01531 -0.00996 0.00035 206 3PY -0.00231 0.00205 -0.00806 0.00196 -0.00251 207 3PZ -0.00812 0.01199 0.00447 0.00264 -0.01759 208 4XX -0.00102 0.00132 0.00095 -0.00036 0.00053 209 4YY -0.00047 0.00021 -0.00059 0.00000 -0.00064 210 4ZZ 0.00002 -0.00051 -0.00078 0.00030 0.00014 211 4XY 0.00009 -0.00018 -0.00118 -0.00022 -0.00154 212 4XZ -0.00001 -0.00031 0.00055 0.00038 0.00114 213 4YZ 0.00000 0.00000 0.00017 -0.00016 -0.00077 214 23 H 1S 0.00048 -0.00240 -0.00079 0.00049 -0.00468 215 2S 0.00108 -0.00237 0.01014 -0.00067 0.00536 66 67 68 69 70 66 3S 0.22048 67 3PX 0.01069 0.05211 68 3PY -0.05837 -0.00018 0.03644 69 3PZ 0.01066 0.03074 -0.00020 0.05180 70 4XX -0.00733 -0.00231 0.00509 -0.00083 0.00204 71 4YY -0.00677 0.00228 -0.00275 0.00145 -0.00101 72 4ZZ -0.00691 -0.00094 0.00474 -0.00130 0.00091 73 4XY 0.00142 0.00605 0.00025 0.00187 -0.00044 74 4XZ -0.00402 -0.00075 0.00027 -0.00118 -0.00021 75 4YZ -0.00093 0.00162 0.00093 0.00586 0.00038 76 6 C 1S 0.00155 -0.00432 0.00260 0.00269 -0.00053 77 2S 0.02101 0.00219 -0.01618 0.00355 -0.00016 78 2PX 0.07699 0.01983 -0.03061 0.02938 -0.00969 79 2PY 0.06852 -0.01331 0.02399 0.01286 0.00173 80 2PZ -0.09858 0.02024 0.04408 0.00422 -0.00058 81 3S -0.01678 0.00168 0.01182 -0.01880 0.00147 82 3PX 0.00726 0.00873 -0.00088 0.00976 -0.00397 83 3PY 0.01596 -0.00263 0.00197 0.01178 -0.00083 84 3PZ -0.01572 0.01208 0.00761 0.00692 -0.00333 85 4XX 0.00126 0.00188 0.00112 0.00161 0.00007 86 4YY -0.00233 0.00061 -0.00081 0.00070 -0.00024 87 4ZZ 0.00308 -0.00228 -0.00013 -0.00214 0.00004 88 4XY 0.00723 0.00076 -0.00247 0.00271 -0.00017 89 4XZ -0.00411 -0.00013 0.00054 -0.00049 -0.00007 90 4YZ -0.00742 0.00185 0.00285 -0.00086 0.00058 91 7 H 1S 0.04564 -0.01160 -0.00412 0.01358 -0.00006 92 2S 0.04649 -0.01255 -0.00530 0.01612 -0.00039 93 8 H 1S 0.03717 0.01238 0.00066 -0.00517 0.00091 94 2S 0.03359 0.01506 0.00190 -0.00805 0.00105 95 9 H 1S -0.03547 -0.00775 0.02341 -0.00018 0.00229 96 2S -0.03513 -0.00882 0.02089 -0.00287 0.00103 97 10 H 1S -0.04028 -0.00040 0.03063 -0.00822 0.00413 98 2S -0.04595 -0.00198 0.03040 -0.00901 0.00501 99 11 O 1S -0.00314 0.00029 0.00209 -0.00068 0.00011 100 2S 0.00508 -0.00102 0.00112 0.00025 -0.00031 101 2PX -0.00510 0.02021 0.00961 -0.02681 0.00054 102 2PY -0.00055 -0.00203 0.01969 -0.00400 -0.00034 103 2PZ 0.00702 -0.02100 0.00372 0.02331 0.00017 104 3S -0.00883 -0.00035 -0.00963 0.00138 0.00016 105 3PX -0.00385 0.01471 0.00585 -0.01909 0.00044 106 3PY -0.00401 -0.00089 0.00834 -0.00150 -0.00018 107 3PZ 0.00702 -0.01461 0.00102 0.01670 -0.00001 108 4XX 0.00061 0.00008 -0.00014 -0.00022 -0.00001 109 4YY 0.00021 -0.00007 0.00181 -0.00022 0.00000 110 4ZZ 0.00079 -0.00019 -0.00013 0.00014 -0.00008 111 4XY -0.00021 0.00051 0.00059 -0.00101 0.00004 112 4XZ -0.00042 -0.00008 0.00005 -0.00006 -0.00002 113 4YZ -0.00016 -0.00080 0.00055 0.00061 0.00003 114 12 O 1S 0.03099 0.00006 0.00118 0.00036 0.00509 115 2S -0.07942 0.00285 -0.02825 0.00024 -0.01121 116 2PX 0.04199 0.13954 -0.00953 0.04626 -0.01357 117 2PY -0.15584 0.01125 0.06284 0.01373 0.01758 118 2PZ 0.01340 0.04686 -0.00229 0.13648 0.00005 119 3S -0.13614 0.00642 -0.02985 0.00447 -0.00940 120 3PX 0.02578 0.08947 -0.00680 0.02800 -0.00911 121 3PY -0.08293 0.00711 0.03556 0.00800 0.00907 122 3PZ 0.00580 0.02801 -0.00150 0.08695 0.00044 123 4XX -0.00142 0.00144 0.00253 0.00040 0.00045 124 4YY 0.01497 -0.00209 -0.00434 -0.00201 -0.00104 125 4ZZ -0.00172 -0.00002 0.00255 0.00092 0.00048 126 4XY -0.00350 -0.00853 0.00078 -0.00346 0.00072 127 4XZ -0.00004 0.00139 -0.00043 0.00156 -0.00018 128 4YZ -0.00210 -0.00356 0.00040 -0.00842 0.00018 129 13 C 1S -0.00289 -0.00034 0.00299 0.00119 0.00060 130 2S 0.01126 0.00092 -0.00446 -0.00560 -0.00134 131 2PX -0.00944 0.00365 0.00950 0.00961 0.00191 132 2PY 0.00536 0.00409 -0.00438 -0.00894 -0.00052 133 2PZ -0.01567 -0.00577 0.01060 0.00488 0.00015 134 3S 0.01219 0.01278 -0.00666 -0.00032 -0.00271 135 3PX -0.00063 0.00056 0.00629 0.00307 0.00058 136 3PY 0.00565 0.00635 -0.00401 -0.00229 -0.00077 137 3PZ -0.00655 0.00406 0.00372 0.00710 0.00023 138 4XX -0.00138 -0.00005 0.00168 0.00048 0.00041 139 4YY -0.00017 -0.00048 -0.00011 0.00009 -0.00013 140 4ZZ 0.00138 0.00043 -0.00119 -0.00020 -0.00018 141 4XY 0.00018 -0.00024 -0.00065 -0.00011 -0.00020 142 4XZ -0.00047 0.00019 0.00012 0.00036 0.00010 143 4YZ -0.00034 -0.00002 -0.00027 -0.00038 -0.00013 144 14 H 1S -0.00680 0.00152 0.00856 0.00455 0.00171 145 2S -0.01254 -0.00032 0.00979 0.00444 0.00337 146 15 H 1S 0.01481 0.00504 -0.01013 -0.00493 -0.00105 147 2S 0.01038 0.00616 -0.00916 0.00029 -0.00065 148 16 C 1S -0.00332 0.00016 0.00103 0.00150 0.00055 149 2S 0.00738 -0.00012 -0.00454 -0.00123 -0.00108 150 2PX -0.00072 0.00367 0.00101 0.01202 0.00053 151 2PY 0.00437 -0.00481 -0.00079 -0.00116 -0.00033 152 2PZ 0.01389 0.00874 -0.00149 0.00149 0.00095 153 3S 0.00594 -0.00859 -0.00173 -0.00332 -0.00076 154 3PX 0.00115 0.00307 0.00133 0.00777 0.00048 155 3PY 0.00064 -0.00528 0.00141 -0.00334 0.00030 156 3PZ 0.00180 0.00205 0.00196 0.00037 0.00116 157 4XX -0.00114 -0.00020 0.00074 0.00030 0.00017 158 4YY -0.00033 0.00007 0.00013 -0.00032 -0.00013 159 4ZZ 0.00089 0.00056 -0.00059 0.00010 0.00008 160 4XY 0.00037 -0.00005 -0.00012 0.00020 -0.00005 161 4XZ -0.00028 0.00033 -0.00039 0.00054 0.00028 162 4YZ -0.00004 0.00022 -0.00002 0.00003 0.00001 163 17 H 1S -0.00232 0.00173 -0.00055 0.00018 -0.00052 164 2S -0.00414 0.00245 0.00148 -0.00295 -0.00005 165 18 C 1S -0.00184 -0.00148 0.00387 0.00010 0.00006 166 2S 0.00456 0.00215 -0.00563 -0.00100 0.00027 167 2PX 0.00101 0.00843 -0.01536 0.01440 0.00348 168 2PY -0.01006 -0.00148 -0.00193 -0.00094 -0.00021 169 2PZ -0.01318 -0.00251 -0.00209 0.00672 0.00128 170 3S 0.00439 0.00364 -0.01005 0.00329 -0.00112 171 3PX 0.00078 0.00590 -0.00956 0.01019 0.00312 172 3PY -0.00562 -0.00264 -0.00180 0.00049 -0.00103 173 3PZ -0.00559 -0.00008 -0.00041 0.00389 0.00193 174 4XX -0.00020 0.00010 0.00022 0.00025 0.00001 175 4YY -0.00059 0.00001 0.00012 -0.00004 -0.00001 176 4ZZ 0.00060 -0.00019 0.00001 -0.00025 -0.00002 177 4XY -0.00072 -0.00014 -0.00088 0.00022 -0.00004 178 4XZ -0.00046 -0.00018 0.00018 -0.00029 0.00004 179 4YZ 0.00063 0.00037 -0.00059 0.00002 0.00002 180 19 H 1S -0.00204 -0.00201 0.00069 0.00068 -0.00006 181 2S -0.00312 -0.00357 0.00159 0.00062 -0.00085 182 20 C 1S 0.00675 0.00416 0.00115 0.00040 -0.00087 183 2S -0.01192 -0.01172 0.00821 -0.00203 0.00106 184 2PX 0.00050 -0.00405 -0.02699 -0.00709 -0.00745 185 2PY -0.00376 -0.00956 -0.00357 0.00692 0.00002 186 2PZ -0.01263 -0.00329 0.00009 0.00333 -0.00284 187 3S -0.00613 -0.02020 0.00772 -0.00773 0.00093 188 3PX -0.00241 -0.00864 -0.01540 -0.00639 -0.00439 189 3PY -0.00129 0.00146 -0.00093 0.00806 0.00056 190 3PZ -0.00285 0.00266 -0.00688 0.00152 -0.00317 191 4XX 0.00100 0.00146 0.00043 0.00094 0.00028 192 4YY 0.00012 -0.00107 -0.00055 -0.00043 -0.00016 193 4ZZ -0.00041 0.00014 -0.00036 -0.00017 -0.00002 194 4XY -0.00064 -0.00043 0.00030 0.00005 0.00010 195 4XZ -0.00122 0.00032 -0.00041 0.00086 0.00022 196 4YZ 0.00085 0.00029 -0.00021 -0.00039 0.00002 197 21 H 1S -0.00508 -0.01119 -0.00208 0.00121 -0.00034 198 2S -0.00409 -0.00232 -0.00432 0.00095 -0.00178 199 22 C 1S 0.00558 0.00231 -0.00033 0.00157 -0.00044 200 2S -0.00772 -0.00405 0.00210 -0.00273 -0.00012 201 2PX -0.01536 0.00012 -0.02409 0.00830 -0.00075 202 2PY 0.00411 -0.00317 0.00573 -0.00007 0.00001 203 2PZ 0.01047 0.00311 -0.01436 -0.00039 0.00045 204 3S -0.00791 -0.00153 0.00783 -0.00162 0.00274 205 3PX -0.00832 0.00172 -0.01633 0.00654 0.00036 206 3PY -0.00051 -0.00383 0.00022 -0.00035 -0.00042 207 3PZ 0.00184 -0.00275 -0.00989 -0.00336 -0.00056 208 4XX 0.00069 0.00050 -0.00069 0.00041 -0.00017 209 4YY 0.00047 -0.00019 -0.00068 -0.00023 -0.00003 210 4ZZ 0.00007 -0.00039 0.00082 -0.00028 0.00017 211 4XY -0.00052 -0.00058 0.00031 -0.00068 -0.00022 212 4XZ 0.00028 0.00033 0.00062 0.00041 0.00027 213 4YZ 0.00108 0.00029 -0.00012 -0.00069 -0.00007 214 23 H 1S 0.00744 -0.00081 0.00060 -0.00382 0.00036 215 2S 0.00910 0.00500 0.00064 0.00097 0.00006 71 72 73 74 75 71 4YY 0.00224 72 4ZZ -0.00086 0.00197 73 4XY 0.00009 0.00059 0.00341 74 4XZ 0.00057 -0.00027 -0.00027 0.00061 75 4YZ 0.00005 -0.00032 -0.00139 -0.00036 0.00360 76 6 C 1S 0.00071 -0.00291 -0.00546 0.00354 0.00572 77 2S -0.00206 0.00428 0.01075 -0.00629 -0.01115 78 2PX -0.00087 0.00516 0.00357 0.00152 -0.01286 79 2PY -0.01239 0.00676 0.00571 -0.00607 -0.00487 80 2PZ 0.00138 0.00672 -0.01437 0.00171 0.00670 81 3S -0.00441 0.01154 0.02258 -0.00534 -0.02526 82 3PX -0.00101 0.00619 0.00123 0.00107 -0.00786 83 3PY -0.00173 0.00027 0.00038 -0.00157 -0.00003 84 3PZ 0.00097 0.00217 -0.00823 0.00119 0.00215 85 4XX -0.00019 0.00004 -0.00016 -0.00003 0.00032 86 4YY 0.00057 -0.00041 -0.00025 0.00021 0.00023 87 4ZZ -0.00034 0.00001 -0.00026 -0.00008 0.00006 88 4XY 0.00011 -0.00057 0.00067 -0.00007 0.00011 89 4XZ 0.00046 -0.00023 -0.00016 0.00045 0.00011 90 4YZ 0.00001 0.00014 0.00025 -0.00016 0.00054 91 7 H 1S -0.00227 0.00058 0.00075 -0.00019 -0.00039 92 2S -0.00284 0.00120 0.00266 -0.00051 -0.00177 93 8 H 1S -0.00236 0.00004 -0.00068 0.00013 -0.00003 94 2S -0.00299 0.00016 -0.00216 -0.00003 0.00115 95 9 H 1S -0.00360 0.00647 0.00324 -0.00507 0.00014 96 2S -0.00277 0.00711 0.00740 -0.00292 -0.00560 97 10 H 1S -0.00416 0.00485 -0.00139 -0.00429 0.00181 98 2S -0.00355 0.00362 -0.00601 -0.00271 0.00710 99 11 O 1S -0.00036 0.00008 0.00004 0.00002 0.00007 100 2S 0.00118 -0.00004 -0.00015 0.00014 -0.00018 101 2PX 0.00129 -0.00201 0.00309 -0.00034 0.00376 102 2PY 0.00244 0.00065 -0.00113 0.00072 -0.00101 103 2PZ 0.00104 -0.00131 0.00332 -0.00019 0.00260 104 3S 0.00191 -0.00024 -0.00017 0.00028 -0.00032 105 3PX 0.00102 -0.00161 0.00218 -0.00024 0.00320 106 3PY 0.00163 0.00034 -0.00081 0.00052 -0.00085 107 3PZ 0.00086 -0.00102 0.00287 -0.00011 0.00178 108 4XX -0.00005 -0.00006 0.00005 -0.00002 0.00004 109 4YY 0.00005 0.00007 -0.00005 0.00003 -0.00005 110 4ZZ -0.00006 0.00000 -0.00001 0.00001 0.00001 111 4XY 0.00003 -0.00005 0.00013 -0.00002 0.00009 112 4XZ 0.00006 -0.00001 0.00003 0.00001 0.00003 113 4YZ 0.00002 -0.00004 0.00008 -0.00001 0.00012 114 12 O 1S -0.01296 0.00527 0.00273 -0.00172 0.00167 115 2S 0.02385 -0.01174 -0.00557 0.00379 -0.00334 116 2PX 0.00846 0.00050 0.04055 -0.00218 -0.01191 117 2PY -0.00550 0.01942 0.00821 -0.00442 0.00426 118 2PZ 0.00502 -0.00805 -0.01232 -0.00466 0.04301 119 3S 0.02827 -0.00949 -0.00454 0.00377 -0.00282 120 3PX 0.00565 0.00099 0.02888 -0.00156 -0.00907 121 3PY -0.00257 0.01015 0.00481 -0.00254 0.00229 122 3PZ 0.00332 -0.00538 -0.00940 -0.00322 0.03055 123 4XX -0.00048 0.00047 0.00048 -0.00008 0.00003 124 4YY -0.00017 -0.00119 -0.00064 0.00014 -0.00038 125 4ZZ -0.00054 0.00054 0.00007 -0.00010 0.00037 126 4XY -0.00046 0.00022 -0.00158 0.00014 0.00005 127 4XZ 0.00029 -0.00017 0.00010 0.00002 0.00022 128 4YZ -0.00030 0.00040 0.00007 0.00025 -0.00168 129 13 C 1S -0.00009 -0.00024 -0.00034 -0.00002 -0.00044 130 2S 0.00022 0.00055 0.00021 0.00001 0.00119 131 2PX -0.00066 -0.00129 -0.00113 0.00019 -0.00136 132 2PY 0.00066 0.00016 0.00000 -0.00013 0.00001 133 2PZ 0.00008 0.00060 0.00047 -0.00009 -0.00020 134 3S 0.00106 0.00113 0.00332 -0.00059 0.00213 135 3PX -0.00031 -0.00059 -0.00077 0.00026 0.00027 136 3PY 0.00069 0.00013 0.00071 -0.00022 0.00027 137 3PZ -0.00036 0.00062 0.00143 -0.00083 0.00010 138 4XX -0.00013 -0.00017 -0.00018 0.00006 -0.00028 139 4YY 0.00004 0.00008 0.00005 0.00000 0.00012 140 4ZZ -0.00001 0.00010 0.00002 -0.00005 0.00014 141 4XY 0.00004 0.00010 0.00014 -0.00011 0.00024 142 4XZ -0.00002 -0.00007 -0.00006 0.00000 -0.00012 143 4YZ 0.00006 0.00006 0.00008 -0.00006 0.00016 144 14 H 1S -0.00056 -0.00096 -0.00079 0.00021 -0.00127 145 2S -0.00096 -0.00171 -0.00141 0.00031 -0.00296 146 15 H 1S 0.00011 0.00017 0.00015 -0.00011 0.00071 147 2S -0.00032 0.00048 0.00034 -0.00066 0.00077 148 16 C 1S -0.00007 -0.00023 -0.00030 0.00014 -0.00058 149 2S 0.00031 0.00081 0.00080 -0.00033 0.00117 150 2PX -0.00031 -0.00070 -0.00160 0.00142 -0.00250 151 2PY -0.00002 0.00072 0.00075 -0.00040 0.00108 152 2PZ 0.00009 -0.00059 -0.00130 0.00077 -0.00168 153 3S 0.00081 0.00051 -0.00018 -0.00004 0.00270 154 3PX -0.00027 -0.00045 -0.00179 0.00149 -0.00330 155 3PY 0.00040 -0.00056 -0.00123 0.00052 0.00080 156 3PZ 0.00023 -0.00081 -0.00147 0.00111 -0.00224 157 4XX -0.00009 -0.00005 -0.00004 -0.00001 -0.00016 158 4YY 0.00004 0.00007 0.00004 0.00002 0.00006 159 4ZZ -0.00006 -0.00004 -0.00008 -0.00002 -0.00009 160 4XY -0.00005 0.00005 0.00003 -0.00004 0.00005 161 4XZ -0.00012 -0.00015 -0.00014 -0.00003 -0.00029 162 4YZ -0.00001 0.00001 -0.00001 0.00000 -0.00001 163 17 H 1S 0.00028 0.00000 -0.00009 0.00024 -0.00001 164 2S 0.00052 -0.00071 -0.00059 0.00067 -0.00007 165 18 C 1S 0.00011 0.00020 -0.00002 0.00008 -0.00009 166 2S 0.00022 -0.00028 0.00025 -0.00009 0.00045 167 2PX -0.00132 -0.00224 -0.00275 -0.00052 -0.00383 168 2PY 0.00029 0.00015 0.00023 -0.00008 0.00029 169 2PZ -0.00070 -0.00119 -0.00045 -0.00029 -0.00113 170 3S -0.00002 0.00012 0.00111 -0.00096 0.00040 171 3PX -0.00120 -0.00213 -0.00173 -0.00039 -0.00278 172 3PY 0.00041 0.00051 0.00075 -0.00030 0.00036 173 3PZ -0.00030 -0.00123 -0.00105 0.00017 -0.00103 174 4XX -0.00002 0.00001 -0.00007 0.00003 -0.00009 175 4YY 0.00002 -0.00002 0.00006 0.00001 0.00003 176 4ZZ 0.00000 0.00002 0.00012 -0.00005 0.00014 177 4XY -0.00002 0.00004 0.00005 -0.00015 0.00012 178 4XZ 0.00000 -0.00001 -0.00002 -0.00002 0.00001 179 4YZ 0.00001 -0.00001 -0.00007 -0.00003 0.00001 180 19 H 1S -0.00011 -0.00016 0.00053 -0.00012 0.00038 181 2S -0.00016 0.00054 0.00076 -0.00020 0.00034 182 20 C 1S 0.00005 0.00007 0.00029 -0.00054 0.00047 183 2S -0.00024 0.00007 -0.00036 0.00111 -0.00084 184 2PX 0.00287 0.00374 0.00419 -0.00264 0.00590 185 2PY 0.00021 -0.00031 0.00016 0.00013 0.00065 186 2PZ 0.00044 0.00170 0.00228 -0.00074 0.00194 187 3S 0.00029 -0.00215 -0.00275 0.00218 -0.00034 188 3PX 0.00106 0.00301 0.00073 -0.00174 0.00413 189 3PY -0.00053 0.00028 -0.00035 -0.00042 0.00134 190 3PZ 0.00151 0.00070 0.00208 -0.00074 0.00222 191 4XX -0.00015 -0.00016 -0.00022 -0.00004 -0.00008 192 4YY 0.00007 0.00009 0.00009 0.00003 0.00009 193 4ZZ -0.00005 0.00010 0.00006 -0.00006 -0.00010 194 4XY 0.00004 -0.00009 -0.00007 0.00008 -0.00007 195 4XZ -0.00010 -0.00003 -0.00008 -0.00017 -0.00005 196 4YZ 0.00001 -0.00002 -0.00006 0.00001 -0.00002 197 21 H 1S 0.00047 0.00009 0.00031 0.00043 0.00049 198 2S 0.00151 0.00060 0.00357 0.00000 -0.00035 199 22 C 1S -0.00040 -0.00054 -0.00001 -0.00042 0.00018 200 2S 0.00015 0.00037 0.00058 0.00053 0.00009 201 2PX -0.00003 0.00040 0.00048 -0.00305 0.00152 202 2PY -0.00029 0.00041 -0.00001 0.00042 -0.00023 203 2PZ 0.00025 -0.00045 -0.00084 -0.00090 0.00073 204 3S -0.00192 0.00106 -0.00166 0.00071 -0.00187 205 3PX -0.00026 -0.00016 0.00034 -0.00236 0.00117 206 3PY 0.00007 0.00023 0.00078 -0.00020 0.00006 207 3PZ 0.00064 -0.00073 0.00012 -0.00054 0.00040 208 4XX 0.00006 0.00004 0.00008 -0.00009 0.00006 209 4YY 0.00005 -0.00002 0.00006 -0.00003 0.00008 210 4ZZ -0.00005 -0.00007 -0.00006 0.00007 -0.00007 211 4XY 0.00010 0.00013 0.00015 -0.00001 0.00021 212 4XZ -0.00010 -0.00018 -0.00020 0.00007 -0.00019 213 4YZ 0.00005 0.00006 0.00001 0.00001 0.00007 214 23 H 1S 0.00005 0.00011 -0.00035 0.00052 -0.00007 215 2S 0.00017 0.00037 -0.00042 0.00022 0.00055 76 77 78 79 80 76 6 C 1S 2.05475 77 2S -0.06604 0.33271 78 2PX 0.00082 0.00026 0.36086 79 2PY -0.00119 0.00064 -0.00459 0.44125 80 2PZ -0.00081 -0.00124 -0.05352 0.00256 0.37300 81 3S -0.19826 0.31902 0.04174 0.08120 -0.03700 82 3PX -0.00561 0.00116 0.19088 0.01355 0.02198 83 3PY -0.00084 0.00937 0.01066 0.12003 -0.00623 84 3PZ 0.00403 0.00280 0.02382 -0.01053 0.18495 85 4XX -0.01487 -0.00868 0.00092 0.00815 0.00334 86 4YY -0.01819 -0.00058 -0.00110 -0.01162 0.00176 87 4ZZ -0.01598 -0.00658 -0.00278 0.01030 -0.00188 88 4XY 0.00144 -0.00269 0.00221 -0.00079 -0.01553 89 4XZ 0.00466 -0.00944 0.00127 -0.01042 -0.00193 90 4YZ -0.00151 0.00291 -0.01563 0.00096 0.00585 91 7 H 1S 0.01309 -0.02723 0.01012 0.04204 -0.01583 92 2S 0.01513 -0.02764 0.02582 0.07081 -0.03370 93 8 H 1S 0.00033 -0.00082 0.00506 -0.00627 0.00554 94 2S 0.00450 -0.00951 0.00815 -0.00166 0.01749 95 9 H 1S -0.00677 0.01538 0.01994 0.01011 -0.01909 96 2S -0.01405 0.02920 0.05169 0.02784 -0.04030 97 10 H 1S -0.06122 0.11759 -0.15368 0.14351 0.16809 98 2S -0.01072 0.02286 -0.13457 0.10697 0.14550 99 11 O 1S 0.00124 -0.00301 -0.00159 0.00565 0.00041 100 2S -0.00252 0.00586 0.00333 -0.01128 0.00080 101 2PX 0.00596 -0.01177 -0.05744 0.01522 -0.05199 102 2PY -0.00753 0.01929 0.02071 -0.03203 0.01182 103 2PZ -0.00948 0.01689 -0.04707 -0.03728 -0.03594 104 3S -0.00880 0.01871 0.01047 -0.04452 -0.00897 105 3PX 0.00455 -0.00990 -0.04752 0.01234 -0.03792 106 3PY -0.00579 0.01473 0.01836 -0.02820 0.00612 107 3PZ -0.00690 0.01331 -0.03359 -0.03052 -0.03139 108 4XX 0.00024 -0.00076 -0.00152 0.00150 -0.00056 109 4YY 0.00020 -0.00018 0.00079 0.00100 0.00122 110 4ZZ 0.00032 -0.00090 -0.00009 0.00165 0.00094 111 4XY -0.00010 0.00020 -0.00182 -0.00024 -0.00203 112 4XZ -0.00022 0.00042 -0.00040 -0.00095 -0.00026 113 4YZ 0.00000 0.00000 -0.00198 -0.00038 -0.00128 114 12 O 1S -0.00262 0.00603 0.00089 0.01097 -0.00321 115 2S 0.00744 -0.01598 -0.00509 -0.02452 0.01173 116 2PX -0.02041 0.04345 0.01822 0.04716 -0.04700 117 2PY -0.01440 0.02502 0.02274 0.04180 -0.03472 118 2PZ 0.02563 -0.04847 -0.05100 -0.06670 0.02837 119 3S 0.00088 -0.00180 0.01483 -0.06115 -0.00701 120 3PX -0.01696 0.03697 0.01214 0.03987 -0.04784 121 3PY -0.00679 0.01175 0.00656 0.03511 -0.01892 122 3PZ 0.02024 -0.03976 -0.04763 -0.05682 0.02098 123 4XX 0.00023 -0.00050 -0.00172 0.00139 0.00107 124 4YY 0.00065 -0.00117 -0.00079 0.00144 0.00005 125 4ZZ 0.00018 -0.00046 -0.00006 0.00185 0.00154 126 4XY -0.00022 0.00015 0.00068 0.00065 -0.00242 127 4XZ 0.00004 -0.00026 0.00065 -0.00132 -0.00020 128 4YZ -0.00003 -0.00020 -0.00201 -0.00065 0.00155 129 13 C 1S -0.00028 0.00089 -0.00025 0.00009 -0.00143 130 2S 0.00086 -0.00319 0.00154 -0.00059 0.00546 131 2PX -0.00029 0.00012 -0.00901 -0.00022 -0.00799 132 2PY -0.00007 0.00035 0.00133 -0.00046 0.00057 133 2PZ -0.00084 0.00053 0.00213 0.00200 -0.00303 134 3S 0.00105 -0.00032 0.00250 0.00121 0.00198 135 3PX 0.00053 -0.00317 -0.00809 -0.00309 -0.00070 136 3PY -0.00006 0.00023 0.00196 -0.00047 0.00160 137 3PZ -0.00081 0.00310 0.00515 0.00281 -0.00593 138 4XX -0.00001 -0.00003 -0.00149 0.00002 -0.00167 139 4YY 0.00002 -0.00013 0.00075 -0.00006 0.00084 140 4ZZ 0.00007 0.00003 0.00116 -0.00009 0.00136 141 4XY 0.00002 -0.00001 -0.00039 -0.00010 -0.00012 142 4XZ -0.00011 0.00018 -0.00011 0.00006 -0.00041 143 4YZ 0.00003 -0.00005 -0.00029 -0.00011 0.00010 144 14 H 1S -0.00036 -0.00030 -0.00895 0.00028 -0.00935 145 2S -0.00119 0.00240 -0.01237 0.00177 -0.01747 146 15 H 1S 0.00058 -0.00039 0.00333 -0.00100 0.00593 147 2S 0.00016 0.00167 0.00813 0.00072 0.00505 148 16 C 1S -0.00005 0.00020 0.00083 0.00064 0.00025 149 2S 0.00040 -0.00050 0.00150 -0.00070 0.00210 150 2PX -0.00064 0.00130 0.02581 0.00253 0.01985 151 2PY 0.00033 -0.00089 -0.00341 -0.00023 -0.00265 152 2PZ -0.00011 0.00115 0.00911 -0.00018 0.00672 153 3S -0.00087 -0.00100 -0.01157 -0.00777 -0.00459 154 3PX -0.00059 0.00090 0.02937 0.00287 0.02291 155 3PY 0.00097 -0.00397 -0.01022 -0.00153 -0.00088 156 3PZ -0.00144 0.00243 0.00621 -0.00025 0.00402 157 4XX -0.00002 0.00007 -0.00041 0.00024 -0.00064 158 4YY 0.00009 -0.00025 0.00072 0.00014 0.00080 159 4ZZ -0.00001 0.00020 0.00060 -0.00009 0.00047 160 4XY 0.00003 -0.00002 0.00037 0.00011 0.00035 161 4XZ -0.00015 0.00060 0.00026 0.00004 -0.00056 162 4YZ 0.00000 0.00007 0.00013 0.00001 0.00010 163 17 H 1S 0.00006 -0.00038 0.00408 0.00046 0.00428 164 2S 0.00091 -0.00303 -0.00468 0.00238 0.00094 165 18 C 1S -0.00018 0.00049 0.00156 -0.00020 0.00080 166 2S 0.00045 -0.00070 -0.00812 -0.00038 -0.00595 167 2PX -0.00191 0.01008 0.01237 -0.00054 0.00389 168 2PY 0.00029 -0.00138 -0.00181 0.00175 -0.00045 169 2PZ -0.00070 0.00233 -0.00343 0.00091 -0.00553 170 3S -0.00052 -0.00040 0.00407 0.00411 0.00248 171 3PX -0.00110 0.00698 0.00023 -0.00168 -0.00627 172 3PY -0.00142 0.00125 0.00361 0.00053 0.00179 173 3PZ -0.00140 0.00304 -0.00622 -0.00126 -0.00715 174 4XX -0.00016 0.00027 0.00140 -0.00025 0.00083 175 4YY -0.00004 -0.00003 -0.00084 -0.00006 -0.00073 176 4ZZ 0.00002 -0.00006 -0.00140 -0.00022 -0.00130 177 4XY 0.00010 0.00025 -0.00040 0.00007 -0.00020 178 4XZ 0.00002 -0.00005 -0.00070 -0.00008 -0.00051 179 4YZ 0.00007 -0.00003 0.00017 -0.00008 0.00035 180 19 H 1S 0.00005 -0.00036 -0.00600 0.00008 -0.00539 181 2S -0.00007 -0.00003 0.00293 0.00144 0.00080 182 20 C 1S -0.00002 0.00075 0.00164 0.00059 -0.00001 183 2S 0.00021 -0.00014 0.00115 0.00040 0.00003 184 2PX -0.00035 0.00334 0.01463 0.00009 0.01273 185 2PY 0.00018 0.00000 -0.00208 -0.00064 -0.00083 186 2PZ -0.00051 0.00314 0.00162 0.00039 0.00065 187 3S 0.00064 -0.00889 -0.02337 -0.01190 0.00350 188 3PX 0.00132 0.00075 0.01833 0.00052 0.01685 189 3PY 0.00160 -0.00016 0.00702 -0.00052 0.00325 190 3PZ 0.00019 0.00052 -0.00236 -0.00339 0.00702 191 4XX 0.00017 -0.00021 0.00004 0.00005 0.00010 192 4YY 0.00008 0.00000 0.00058 0.00029 0.00007 193 4ZZ -0.00002 0.00060 0.00085 0.00022 -0.00020 194 4XY 0.00002 -0.00011 -0.00055 -0.00016 -0.00040 195 4XZ -0.00002 0.00052 -0.00005 0.00002 -0.00033 196 4YZ 0.00003 -0.00009 0.00004 -0.00003 0.00005 197 21 H 1S 0.00015 -0.00048 0.00037 0.00023 0.00080 198 2S -0.00250 0.00459 0.00038 0.00597 -0.00844 199 22 C 1S -0.00067 0.00082 0.00129 0.00017 0.00111 200 2S 0.00024 -0.00194 -0.00918 -0.00087 -0.00685 201 2PX -0.00073 0.01021 0.00237 -0.00183 0.00120 202 2PY 0.00011 0.00014 0.00074 -0.00250 -0.00009 203 2PZ 0.00114 -0.00179 -0.00499 -0.00284 -0.00085 204 3S 0.00444 -0.00120 0.01186 0.00402 -0.00273 205 3PX -0.00234 0.00799 -0.00607 -0.00166 -0.00722 206 3PY -0.00123 0.00080 -0.00306 0.00114 -0.00788 207 3PZ 0.00011 -0.00124 -0.01300 -0.00515 -0.00561 208 4XX -0.00071 0.00075 0.00154 0.00004 0.00065 209 4YY -0.00018 0.00003 -0.00101 -0.00004 -0.00086 210 4ZZ -0.00020 -0.00011 -0.00125 -0.00014 -0.00120 211 4XY 0.00008 -0.00028 -0.00037 -0.00019 0.00000 212 4XZ 0.00002 -0.00010 -0.00029 -0.00003 -0.00029 213 4YZ 0.00018 -0.00036 -0.00019 -0.00024 0.00011 214 23 H 1S 0.00075 -0.00346 -0.00537 -0.00208 -0.00256 215 2S 0.00050 -0.00162 0.00392 0.00050 0.00880 81 82 83 84 85 81 3S 0.46611 82 3PX 0.04113 0.11496 83 3PY -0.00956 0.00533 0.06208 84 3PZ -0.02635 0.03309 -0.00288 0.10580 85 4XX -0.00581 0.00111 0.00136 0.00141 0.00068 86 4YY -0.00445 -0.00129 -0.00140 0.00140 -0.00011 87 4ZZ -0.00348 -0.00134 0.00184 -0.00144 0.00043 88 4XY -0.00312 -0.00157 0.00016 -0.00725 0.00000 89 4XZ -0.00939 0.00028 -0.00238 -0.00081 -0.00005 90 4YZ 0.00299 -0.00725 -0.00047 0.00010 0.00001 91 7 H 1S -0.04856 0.00514 0.01711 -0.00821 0.00093 92 2S -0.02074 0.01249 0.01630 -0.01495 0.00156 93 8 H 1S 0.00036 -0.00046 -0.00814 0.00626 0.00034 94 2S -0.02524 0.00329 0.00102 0.01185 0.00078 95 9 H 1S 0.03773 0.01762 0.01968 -0.01551 -0.00140 96 2S 0.07897 0.03636 0.01794 -0.02489 -0.00151 97 10 H 1S 0.11315 -0.05492 0.03373 0.06144 0.00093 98 2S 0.00684 -0.04811 0.02187 0.05034 0.00255 99 11 O 1S -0.00147 0.00227 0.00255 -0.00345 0.00013 100 2S 0.01265 -0.00258 -0.00827 0.00673 -0.00011 101 2PX -0.06643 -0.04268 0.05362 -0.05684 0.00005 102 2PY 0.08436 0.02368 -0.03727 0.00627 0.00017 103 2PZ 0.12317 -0.03773 -0.09302 -0.02506 -0.00141 104 3S 0.00706 -0.00403 -0.01249 0.00443 -0.00125 105 3PX -0.05162 -0.03411 0.03875 -0.04072 0.00000 106 3PY 0.04879 0.01656 -0.02334 0.00441 -0.00016 107 3PZ 0.08590 -0.02746 -0.06546 -0.01996 -0.00119 108 4XX -0.00217 -0.00101 0.00133 -0.00073 0.00003 109 4YY 0.00421 0.00155 -0.00129 0.00056 0.00009 110 4ZZ -0.00084 -0.00001 0.00027 0.00051 0.00003 111 4XY -0.00144 -0.00149 0.00161 -0.00250 -0.00001 112 4XZ 0.00097 -0.00037 -0.00063 -0.00028 -0.00003 113 4YZ 0.00541 -0.00160 -0.00385 -0.00124 -0.00002 114 12 O 1S 0.00273 -0.00563 0.00053 0.00520 -0.00017 115 2S -0.01888 0.00598 0.00586 -0.00411 0.00037 116 2PX 0.17229 0.00430 -0.01581 -0.02896 0.00330 117 2PY 0.12486 0.05297 -0.02886 -0.06598 0.00264 118 2PZ -0.26102 -0.05731 0.03931 0.01889 0.00200 119 3S 0.00600 0.02351 -0.00967 -0.02267 -0.00011 120 3PX 0.13202 0.00271 -0.00906 -0.02913 0.00180 121 3PY 0.06926 0.02643 -0.01228 -0.03743 0.00173 122 3PZ -0.18864 -0.04556 0.02175 0.01193 0.00117 123 4XX 0.00259 -0.00020 -0.00089 -0.00038 0.00011 124 4YY -0.00742 -0.00343 0.00259 0.00357 -0.00014 125 4ZZ 0.00029 0.00068 0.00028 0.00021 0.00006 126 4XY -0.00286 0.00079 0.00168 -0.00129 -0.00029 127 4XZ -0.00128 0.00004 0.00004 0.00003 0.00003 128 4YZ 0.00843 0.00077 -0.00382 0.00000 -0.00012 129 13 C 1S 0.00160 -0.00034 0.00014 -0.00147 0.00007 130 2S -0.00342 0.00234 -0.00071 0.00436 -0.00015 131 2PX 0.00415 -0.00640 -0.00031 -0.00778 0.00052 132 2PY -0.00073 0.00292 0.00449 0.00163 0.00023 133 2PZ 0.00654 0.00407 -0.00043 -0.00313 -0.00011 134 3S -0.00076 0.00166 -0.00004 0.00022 -0.00002 135 3PX -0.00177 -0.00423 -0.00260 -0.00217 0.00028 136 3PY 0.00004 0.00226 0.00145 0.00228 0.00026 137 3PZ 0.00530 0.00234 0.00139 -0.00465 0.00007 138 4XX 0.00112 -0.00082 0.00009 -0.00137 0.00006 139 4YY -0.00044 0.00060 -0.00022 0.00062 -0.00003 140 4ZZ -0.00095 0.00047 0.00000 0.00106 -0.00001 141 4XY -0.00079 -0.00031 -0.00015 -0.00009 -0.00003 142 4XZ 0.00041 -0.00017 0.00015 -0.00028 0.00002 143 4YZ -0.00043 -0.00006 0.00005 -0.00003 0.00000 144 14 H 1S 0.00564 -0.00519 0.00019 -0.00793 0.00034 145 2S 0.01003 -0.00830 0.00213 -0.01296 0.00040 146 15 H 1S -0.00536 0.00033 0.00056 0.00525 -0.00004 147 2S -0.00462 0.00195 0.00153 0.00461 0.00003 148 16 C 1S 0.00184 0.00031 -0.00025 -0.00040 0.00015 149 2S -0.00719 0.00094 0.00096 0.00294 -0.00022 150 2PX 0.00659 0.01375 -0.00219 0.01488 -0.00010 151 2PY -0.00168 -0.00235 -0.00328 -0.00138 -0.00022 152 2PZ -0.00136 0.00385 0.00367 0.00710 0.00037 153 3S -0.00992 -0.00471 -0.00074 -0.00076 -0.00056 154 3PX 0.01118 0.01764 -0.00315 0.01770 0.00018 155 3PY -0.01058 -0.00530 0.00233 -0.00072 -0.00012 156 3PZ 0.00461 0.00334 0.00330 0.00352 0.00005 157 4XX 0.00098 -0.00022 -0.00021 -0.00070 0.00004 158 4YY 0.00011 0.00075 0.00007 0.00049 -0.00001 159 4ZZ -0.00024 0.00009 0.00003 0.00047 0.00002 160 4XY -0.00024 0.00016 -0.00013 0.00025 -0.00001 161 4XZ 0.00055 -0.00026 0.00000 -0.00025 0.00004 162 4YZ -0.00015 0.00008 0.00021 0.00006 0.00001 163 17 H 1S -0.00117 0.00337 0.00217 0.00291 -0.00003 164 2S -0.00794 -0.00216 0.00715 -0.00104 0.00002 165 18 C 1S 0.00057 0.00167 -0.00046 0.00051 -0.00004 166 2S -0.00392 -0.00675 0.00165 -0.00323 0.00005 167 2PX -0.00214 -0.00128 0.00125 0.00646 0.00040 168 2PY 0.00203 0.00011 0.00017 -0.00153 0.00012 169 2PZ 0.00528 -0.00458 -0.00277 -0.00474 -0.00005 170 3S -0.00499 -0.00074 0.00023 0.00304 0.00020 171 3PX 0.00006 -0.00690 -0.00096 -0.00191 0.00030 172 3PY 0.00200 0.00270 -0.00021 0.00093 -0.00017 173 3PZ 0.00180 -0.00522 0.00115 -0.00461 0.00001 174 4XX 0.00044 0.00088 -0.00014 0.00056 0.00000 175 4YY 0.00036 -0.00048 -0.00008 -0.00058 0.00000 176 4ZZ -0.00023 -0.00087 -0.00024 -0.00082 -0.00003 177 4XY -0.00079 -0.00049 0.00013 -0.00021 -0.00001 178 4XZ 0.00003 -0.00031 0.00002 -0.00045 0.00002 179 4YZ -0.00078 0.00006 0.00028 0.00040 0.00002 180 19 H 1S 0.00099 -0.00436 -0.00127 -0.00428 -0.00017 181 2S 0.00361 0.00163 -0.00254 -0.00051 -0.00022 182 20 C 1S -0.00127 -0.00014 0.00074 0.00039 0.00019 183 2S 0.00499 0.00278 -0.00307 -0.00075 -0.00021 184 2PX -0.01842 0.00939 0.00305 0.01126 -0.00100 185 2PY -0.00671 -0.00313 -0.00503 0.00057 -0.00036 186 2PZ 0.00008 -0.00096 -0.00206 -0.00209 -0.00037 187 3S -0.00707 -0.01196 -0.01151 0.00135 -0.00051 188 3PX -0.01879 0.01221 0.00465 0.01292 -0.00066 189 3PY -0.01220 0.00234 0.00267 0.00220 0.00005 190 3PZ -0.00544 -0.00211 -0.00349 0.00345 -0.00010 191 4XX -0.00051 -0.00012 0.00026 0.00000 0.00012 192 4YY -0.00021 0.00046 -0.00012 0.00027 -0.00007 193 4ZZ 0.00066 0.00036 0.00050 -0.00008 -0.00002 194 4XY 0.00011 -0.00036 -0.00016 -0.00032 0.00000 195 4XZ -0.00037 -0.00035 0.00044 -0.00029 0.00002 196 4YZ -0.00016 0.00008 0.00026 0.00016 0.00001 197 21 H 1S -0.00313 0.00049 -0.00400 0.00161 -0.00043 198 2S 0.01501 0.00085 -0.00447 -0.00468 -0.00032 199 22 C 1S 0.00019 0.00130 -0.00083 0.00067 -0.00044 200 2S 0.00322 -0.00502 -0.00108 -0.00538 0.00008 201 2PX -0.01650 -0.00602 0.00329 0.00142 -0.00031 202 2PY 0.00014 0.00068 -0.00213 0.00067 -0.00012 203 2PZ -0.01374 -0.00401 0.00246 0.00287 0.00021 204 3S 0.00623 0.00825 0.00463 -0.00219 0.00045 205 3PX -0.01180 -0.00947 0.00338 -0.00421 -0.00013 206 3PY 0.00130 -0.00275 0.00005 -0.00446 -0.00023 207 3PZ -0.00689 -0.00939 -0.00277 -0.00241 -0.00016 208 4XX 0.00008 0.00078 0.00017 0.00065 -0.00001 209 4YY -0.00041 -0.00077 0.00007 -0.00044 -0.00003 210 4ZZ 0.00026 -0.00072 -0.00003 -0.00082 -0.00001 211 4XY -0.00011 0.00010 -0.00011 -0.00019 -0.00005 212 4XZ 0.00027 -0.00029 -0.00009 -0.00024 0.00005 213 4YZ -0.00043 0.00012 0.00020 0.00021 0.00001 214 23 H 1S -0.00210 -0.00178 -0.00007 -0.00013 0.00017 215 2S -0.00422 0.00430 0.00222 0.00683 0.00037 86 87 88 89 90 86 4YY 0.00077 87 4ZZ -0.00020 0.00072 88 4XY 0.00002 0.00002 0.00111 89 4XZ 0.00033 -0.00015 0.00018 0.00067 90 4YZ -0.00003 -0.00002 -0.00054 -0.00020 0.00126 91 7 H 1S 0.00165 0.00106 0.00675 -0.00001 -0.00725 92 2S -0.00100 0.00187 0.00672 -0.00048 -0.00709 93 8 H 1S -0.00001 0.00006 -0.00063 -0.00015 0.00074 94 2S 0.00004 0.00027 -0.00212 -0.00046 0.00183 95 9 H 1S 0.00085 -0.00086 0.00076 0.00119 -0.00131 96 2S -0.00036 -0.00080 0.00123 0.00077 -0.00249 97 10 H 1S -0.00281 0.00172 -0.00925 -0.00829 0.01053 98 2S -0.00258 0.00276 -0.00826 -0.00527 0.00943 99 11 O 1S 0.00023 0.00018 0.00006 -0.00010 0.00004 100 2S -0.00036 -0.00028 -0.00001 0.00029 -0.00036 101 2PX -0.00046 0.00116 -0.00063 0.00016 0.00307 102 2PY -0.00084 -0.00022 0.00098 0.00060 -0.00203 103 2PZ 0.00001 -0.00073 0.00290 0.00023 -0.00134 104 3S 0.00035 -0.00146 -0.00076 0.00044 0.00045 105 3PX -0.00020 0.00093 -0.00053 0.00005 0.00290 106 3PY -0.00029 -0.00049 0.00038 0.00040 -0.00122 107 3PZ -0.00007 -0.00058 0.00262 0.00031 -0.00107 108 4XX -0.00002 0.00005 0.00006 -0.00001 -0.00002 109 4YY -0.00007 0.00007 0.00004 0.00001 -0.00005 110 4ZZ 0.00000 0.00004 0.00000 -0.00001 -0.00006 111 4XY -0.00006 0.00002 0.00004 0.00001 -0.00005 112 4XZ 0.00001 -0.00002 -0.00003 0.00001 0.00002 113 4YZ 0.00003 0.00000 -0.00004 -0.00001 0.00004 114 12 O 1S -0.00115 -0.00021 -0.00021 -0.00004 0.00044 115 2S 0.00219 0.00040 0.00022 0.00058 -0.00081 116 2PX -0.00153 -0.00339 0.00635 -0.00099 0.00575 117 2PY -0.00785 -0.00027 -0.00162 -0.00365 0.00616 118 2PZ 0.00609 -0.00474 0.00598 0.00110 0.00163 119 3S 0.00166 -0.00071 -0.00010 0.00031 0.00025 120 3PX -0.00142 -0.00204 0.00472 -0.00084 0.00376 121 3PY -0.00448 0.00020 -0.00061 -0.00218 0.00343 122 3PZ 0.00420 -0.00291 0.00369 0.00096 0.00168 123 4XX -0.00014 -0.00004 -0.00003 0.00000 0.00025 124 4YY 0.00035 0.00021 0.00016 0.00008 -0.00054 125 4ZZ -0.00011 -0.00004 -0.00007 0.00000 0.00009 126 4XY -0.00004 0.00022 -0.00023 0.00003 -0.00038 127 4XZ 0.00008 -0.00009 0.00011 0.00003 0.00000 128 4YZ -0.00026 0.00032 -0.00049 0.00001 0.00010 129 13 C 1S 0.00011 -0.00010 0.00001 -0.00001 -0.00002 130 2S -0.00028 0.00022 -0.00011 -0.00002 -0.00009 131 2PX 0.00009 -0.00069 0.00031 0.00026 0.00019 132 2PY -0.00015 0.00007 0.00013 -0.00018 0.00007 133 2PZ -0.00015 -0.00025 0.00010 0.00019 0.00004 134 3S -0.00043 0.00012 0.00022 -0.00035 0.00062 135 3PX -0.00010 -0.00023 0.00016 0.00023 0.00007 136 3PY -0.00010 -0.00004 0.00020 -0.00015 0.00021 137 3PZ 0.00005 -0.00029 0.00029 -0.00013 0.00021 138 4XX 0.00000 -0.00010 0.00006 0.00006 0.00003 139 4YY -0.00001 0.00003 -0.00003 -0.00001 -0.00002 140 4ZZ 0.00002 0.00006 -0.00005 -0.00005 -0.00004 141 4XY 0.00000 0.00006 -0.00003 -0.00004 0.00001 142 4XZ 0.00002 -0.00004 0.00001 0.00001 0.00000 143 4YZ 0.00000 0.00004 -0.00002 -0.00003 0.00002 144 14 H 1S -0.00005 -0.00056 0.00035 0.00030 0.00022 145 2S 0.00014 -0.00073 0.00052 0.00034 0.00030 146 15 H 1S 0.00006 0.00031 -0.00020 -0.00023 -0.00013 147 2S 0.00027 0.00021 -0.00015 -0.00038 -0.00019 148 16 C 1S 0.00003 -0.00011 -0.00007 -0.00001 0.00001 149 2S -0.00014 0.00033 -0.00010 -0.00001 0.00011 150 2PX 0.00030 -0.00060 -0.00025 0.00021 -0.00055 151 2PY -0.00012 0.00027 -0.00013 -0.00009 0.00005 152 2PZ 0.00011 -0.00037 0.00008 0.00012 0.00003 153 3S -0.00031 0.00034 0.00063 0.00040 -0.00013 154 3PX 0.00017 -0.00063 -0.00055 0.00021 -0.00083 155 3PY -0.00002 0.00013 -0.00003 0.00026 0.00015 156 3PZ 0.00007 -0.00047 0.00012 0.00033 -0.00031 157 4XX -0.00001 -0.00004 0.00000 0.00000 -0.00002 158 4YY -0.00002 0.00001 -0.00002 0.00000 0.00001 159 4ZZ 0.00003 -0.00001 -0.00003 -0.00003 0.00001 160 4XY 0.00000 0.00002 -0.00001 -0.00002 -0.00001 161 4XZ 0.00005 -0.00004 0.00003 -0.00004 -0.00002 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S -0.00001 -0.00002 -0.00002 0.00010 -0.00003 164 2S 0.00003 -0.00001 -0.00015 0.00020 0.00045 165 18 C 1S -0.00001 -0.00002 0.00003 -0.00001 -0.00002 166 2S -0.00004 0.00007 0.00028 0.00010 0.00033 167 2PX 0.00108 -0.00052 0.00043 -0.00082 -0.00030 168 2PY -0.00002 0.00003 -0.00011 0.00000 -0.00010 169 2PZ 0.00029 -0.00024 0.00037 -0.00016 -0.00013 170 3S 0.00026 0.00025 -0.00038 -0.00039 -0.00001 171 3PX 0.00075 -0.00039 0.00066 -0.00057 0.00008 172 3PY 0.00008 0.00007 -0.00014 -0.00004 -0.00041 173 3PZ 0.00012 -0.00037 0.00059 0.00006 0.00015 174 4XX 0.00002 -0.00004 -0.00005 -0.00001 -0.00003 175 4YY 0.00000 0.00001 0.00004 0.00001 0.00004 176 4ZZ -0.00002 0.00003 0.00005 0.00000 0.00006 177 4XY 0.00004 0.00004 -0.00001 -0.00006 0.00000 178 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00001 0.00000 0.00000 -0.00001 0.00001 180 19 H 1S -0.00005 0.00006 0.00022 0.00008 0.00012 181 2S -0.00002 0.00016 -0.00011 -0.00005 -0.00037 182 20 C 1S 0.00007 0.00017 0.00006 -0.00009 0.00006 183 2S -0.00002 0.00015 -0.00018 0.00015 -0.00018 184 2PX 0.00009 0.00156 -0.00106 -0.00114 -0.00046 185 2PY 0.00008 0.00019 -0.00041 0.00003 -0.00015 186 2PZ 0.00040 0.00076 -0.00044 -0.00040 -0.00019 187 3S 0.00033 0.00043 -0.00028 0.00063 0.00010 188 3PX 0.00009 0.00110 -0.00138 -0.00073 -0.00094 189 3PY 0.00021 -0.00021 -0.00020 -0.00012 -0.00003 190 3PZ 0.00025 0.00051 -0.00042 -0.00046 0.00027 191 4XX -0.00002 -0.00010 0.00005 -0.00001 0.00003 192 4YY -0.00004 0.00005 -0.00005 0.00000 -0.00005 193 4ZZ 0.00003 0.00000 -0.00001 -0.00001 -0.00004 194 4XY 0.00001 -0.00001 -0.00001 0.00003 0.00001 195 4XZ 0.00007 -0.00004 0.00001 -0.00004 0.00001 196 4YZ -0.00001 -0.00001 0.00001 0.00001 0.00001 197 21 H 1S -0.00005 0.00030 -0.00041 0.00004 -0.00022 198 2S -0.00042 0.00029 0.00014 -0.00015 0.00013 199 22 C 1S -0.00016 -0.00030 -0.00005 -0.00018 -0.00012 200 2S -0.00001 0.00026 0.00024 0.00038 0.00024 201 2PX 0.00133 0.00069 -0.00029 -0.00154 -0.00019 202 2PY 0.00000 0.00012 0.00004 0.00020 0.00009 203 2PZ -0.00005 -0.00006 0.00024 -0.00007 0.00038 204 3S -0.00029 -0.00029 -0.00001 0.00044 -0.00042 205 3PX 0.00089 0.00035 0.00023 -0.00104 0.00022 206 3PY 0.00007 0.00025 0.00026 0.00007 -0.00008 207 3PZ 0.00024 0.00037 0.00013 -0.00012 0.00033 208 4XX 0.00002 -0.00001 -0.00002 -0.00006 -0.00004 209 4YY 0.00000 0.00003 0.00002 0.00000 0.00003 210 4ZZ -0.00001 0.00000 0.00006 0.00003 0.00004 211 4XY -0.00003 0.00004 -0.00005 0.00002 0.00000 212 4XZ 0.00000 -0.00006 0.00003 0.00002 0.00000 213 4YZ -0.00003 0.00001 0.00000 0.00003 0.00003 214 23 H 1S -0.00030 0.00000 0.00026 0.00047 0.00036 215 2S -0.00027 -0.00027 -0.00003 0.00016 0.00032 91 92 93 94 95 91 7 H 1S 0.21482 92 2S 0.15694 0.14022 93 8 H 1S -0.01153 -0.02116 0.21431 94 2S -0.02065 -0.03441 0.15589 0.13785 95 9 H 1S 0.00191 0.00815 -0.02228 -0.02573 0.21431 96 2S 0.00857 0.02209 -0.02573 -0.02916 0.15589 97 10 H 1S -0.02337 -0.02616 0.00191 0.00857 -0.01153 98 2S -0.02616 -0.03123 0.00815 0.02209 -0.02116 99 11 O 1S 0.00327 -0.00447 0.00307 -0.00397 0.00149 100 2S -0.00635 0.00737 -0.00637 0.00634 -0.00252 101 2PX 0.00655 -0.03998 -0.00186 0.02802 -0.01750 102 2PY -0.01531 -0.05046 -0.01830 -0.04899 -0.00864 103 2PZ -0.01798 0.02325 0.02179 -0.03601 0.00254 104 3S -0.02236 0.00516 -0.01801 0.00678 -0.01226 105 3PX 0.00311 -0.03072 0.00026 0.02434 -0.01661 106 3PY -0.01315 -0.03116 -0.01491 -0.03122 -0.00812 107 3PZ -0.01176 0.02066 0.01508 -0.02714 0.00337 108 4XX 0.00142 0.00122 0.00051 0.00065 0.00060 109 4YY -0.00059 -0.00307 -0.00076 -0.00293 0.00025 110 4ZZ 0.00099 0.00123 0.00149 0.00121 0.00043 111 4XY 0.00112 -0.00032 -0.00111 -0.00098 -0.00009 112 4XZ -0.00090 -0.00066 -0.00059 -0.00057 -0.00007 113 4YZ -0.00182 -0.00119 0.00176 -0.00012 -0.00034 114 12 O 1S 0.00161 0.00265 0.00149 0.00198 0.00308 115 2S -0.00301 -0.00550 -0.00252 -0.00336 -0.00637 116 2PX 0.00960 0.02311 -0.01751 -0.02866 -0.00188 117 2PY 0.01210 0.02060 0.00862 0.01362 0.01830 118 2PZ -0.01231 -0.02263 0.00254 0.01125 0.02179 119 3S -0.01183 -0.01102 -0.01226 -0.01091 -0.01801 120 3PX 0.00993 0.02061 -0.01662 -0.02527 0.00024 121 3PY 0.01079 0.01503 0.00811 0.01004 0.01491 122 3PZ -0.01262 -0.02061 0.00337 0.01040 0.01508 123 4XX 0.00040 0.00039 0.00060 0.00050 0.00051 124 4YY 0.00016 -0.00028 0.00025 0.00003 -0.00076 125 4ZZ 0.00048 0.00044 0.00043 0.00044 0.00149 126 4XY 0.00020 0.00005 0.00009 0.00016 0.00111 127 4XZ -0.00007 -0.00011 -0.00008 -0.00012 -0.00058 128 4YZ -0.00015 -0.00022 0.00034 0.00030 -0.00176 129 13 C 1S -0.00029 -0.00083 0.00338 0.00083 0.00338 130 2S 0.00056 0.00234 -0.00697 -0.00320 -0.00697 131 2PX -0.00063 -0.00246 0.00990 0.00602 0.00991 132 2PY -0.00012 -0.00009 0.01150 0.01076 -0.01150 133 2PZ -0.00114 -0.00087 0.00871 -0.00035 0.00871 134 3S 0.00159 0.00402 -0.00817 -0.00232 -0.00817 135 3PX 0.00009 0.00036 0.00311 0.00240 0.00312 136 3PY -0.00020 -0.00013 0.00681 0.00620 -0.00681 137 3PZ -0.00181 -0.00157 0.01566 0.00833 0.01566 138 4XX -0.00022 -0.00043 0.00109 0.00050 0.00109 139 4YY 0.00003 0.00021 -0.00031 -0.00036 -0.00031 140 4ZZ 0.00013 0.00022 -0.00014 0.00040 -0.00014 141 4XY -0.00018 -0.00045 -0.00071 -0.00071 0.00071 142 4XZ -0.00008 -0.00027 0.00055 0.00017 0.00055 143 4YZ -0.00020 -0.00040 0.00033 0.00012 -0.00033 144 14 H 1S -0.00095 -0.00211 0.00658 0.00329 0.00658 145 2S -0.00172 -0.00454 0.00753 0.00284 0.00753 146 15 H 1S 0.00092 0.00127 -0.00616 0.00077 -0.00616 147 2S 0.00005 0.00022 0.00524 0.00729 0.00524 148 16 C 1S 0.00004 -0.00004 0.00512 0.00350 -0.00151 149 2S -0.00040 -0.00012 -0.01126 -0.00585 0.00459 150 2PX 0.00336 0.00798 0.00477 0.00485 -0.01332 151 2PY -0.00039 -0.00179 0.00225 0.00108 0.00343 152 2PZ 0.00152 0.00155 0.01742 0.02204 -0.00861 153 3S 0.00251 0.00356 -0.02924 -0.02350 0.00370 154 3PX 0.00200 0.00650 0.01041 0.00798 -0.01318 155 3PY 0.00110 -0.00185 -0.00422 -0.00177 -0.00921 156 3PZ 0.00409 0.00497 -0.00159 0.00098 -0.00898 157 4XX -0.00003 0.00003 0.00008 -0.00067 0.00083 158 4YY -0.00005 0.00013 -0.00125 -0.00061 -0.00032 159 4ZZ -0.00019 -0.00048 0.00217 0.00208 -0.00050 160 4XY 0.00007 0.00008 0.00073 0.00044 0.00048 161 4XZ 0.00003 -0.00012 0.00271 0.00137 -0.00061 162 4YZ 0.00005 0.00004 0.00057 0.00078 0.00030 163 17 H 1S 0.00036 0.00171 -0.00922 -0.00585 -0.00155 164 2S 0.00055 -0.00140 -0.00544 0.00116 -0.01075 165 18 C 1S 0.00051 0.00044 -0.00194 -0.00245 0.00031 166 2S -0.00056 -0.00029 0.00573 0.00865 -0.00206 167 2PX 0.00319 0.00248 0.01499 0.00701 -0.01107 168 2PY 0.00124 0.00072 -0.00310 -0.00132 0.00195 169 2PZ 0.00012 0.00250 -0.00285 -0.01278 -0.00342 170 3S -0.00538 -0.00436 0.00900 0.01010 0.00948 171 3PX 0.00195 0.00145 0.01416 0.00618 -0.01036 172 3PY 0.00176 0.00226 -0.01076 -0.00973 0.00869 173 3PZ 0.00094 0.00170 -0.00317 -0.00648 -0.00698 174 4XX 0.00004 -0.00007 0.00018 -0.00004 -0.00029 175 4YY 0.00004 0.00005 0.00003 -0.00013 0.00005 176 4ZZ -0.00015 -0.00016 -0.00014 -0.00027 0.00031 177 4XY -0.00008 -0.00033 -0.00058 -0.00098 0.00098 178 4XZ -0.00011 -0.00023 -0.00092 -0.00083 0.00031 179 4YZ 0.00005 -0.00016 0.00003 0.00023 -0.00011 180 19 H 1S -0.00110 0.00044 -0.00134 -0.00435 0.00048 181 2S 0.00167 0.00292 -0.00342 -0.00729 0.00452 182 20 C 1S 0.00008 -0.00041 -0.00151 -0.00096 0.00512 183 2S 0.00027 0.00144 0.00459 0.00250 -0.01126 184 2PX -0.00156 -0.00496 -0.01332 -0.01542 0.00478 185 2PY -0.00031 -0.00268 -0.00344 -0.00349 -0.00225 186 2PZ -0.00099 -0.00352 -0.00861 -0.01173 0.01742 187 3S -0.00219 -0.00110 0.00370 0.00106 -0.02924 188 3PX -0.00160 -0.00556 -0.01318 -0.01231 0.01041 189 3PY -0.00129 -0.00274 0.00921 0.00905 0.00423 190 3PZ -0.00148 -0.00526 -0.00898 -0.00993 -0.00158 191 4XX -0.00004 -0.00014 0.00083 0.00095 0.00008 192 4YY 0.00008 0.00018 -0.00032 -0.00017 -0.00125 193 4ZZ 0.00008 0.00007 -0.00050 -0.00061 0.00217 194 4XY -0.00004 -0.00013 -0.00048 -0.00034 -0.00073 195 4XZ -0.00015 -0.00042 -0.00061 -0.00094 0.00271 196 4YZ -0.00001 0.00003 -0.00030 -0.00022 -0.00057 197 21 H 1S 0.00008 -0.00067 -0.00155 -0.00185 -0.00921 198 2S 0.00246 0.00261 -0.01075 -0.01070 -0.00544 199 22 C 1S -0.00013 -0.00008 0.00031 0.00043 -0.00194 200 2S 0.00018 -0.00015 -0.00206 -0.00323 0.00573 201 2PX -0.00112 -0.00638 -0.01106 -0.01874 0.01499 202 2PY -0.00071 -0.00131 -0.00196 -0.00562 0.00311 203 2PZ -0.00055 -0.00237 -0.00342 -0.00478 -0.00285 204 3S 0.00182 0.00193 0.00948 0.00890 0.00901 205 3PX -0.00153 -0.00477 -0.01035 -0.01459 0.01415 206 3PY 0.00030 0.00082 -0.00869 -0.00989 0.01077 207 3PZ -0.00098 -0.00298 -0.00698 -0.00932 -0.00317 208 4XX -0.00012 -0.00012 -0.00029 -0.00033 0.00018 209 4YY -0.00001 -0.00003 0.00005 0.00021 0.00003 210 4ZZ -0.00004 0.00015 0.00031 0.00014 -0.00014 211 4XY -0.00022 -0.00028 -0.00098 -0.00062 0.00058 212 4XZ 0.00004 0.00011 0.00031 0.00053 -0.00092 213 4YZ -0.00005 -0.00011 0.00011 0.00046 -0.00003 214 23 H 1S -0.00014 -0.00033 0.00048 -0.00016 -0.00134 215 2S -0.00043 -0.00047 0.00452 0.00519 -0.00342 96 97 98 99 100 96 2S 0.13785 97 10 H 1S -0.02065 0.21482 98 2S -0.03441 0.15694 0.14022 99 11 O 1S 0.00198 0.00161 0.00265 2.07870 100 2S -0.00336 -0.00301 -0.00549 -0.18242 0.50228 101 2PX -0.02866 0.00961 0.02312 0.00534 -0.01408 102 2PY -0.01364 -0.01210 -0.02058 0.04127 -0.08228 103 2PZ 0.01125 -0.01231 -0.02264 0.00324 -0.00848 104 3S -0.01092 -0.01183 -0.01102 -0.24487 0.59902 105 3PX -0.02526 0.00994 0.02062 0.00420 -0.01000 106 3PY -0.01005 -0.01078 -0.01501 0.03471 -0.06389 107 3PZ 0.01040 -0.01262 -0.02062 0.00254 -0.00579 108 4XX 0.00050 0.00040 0.00039 -0.01244 -0.00951 109 4YY 0.00003 0.00016 -0.00028 -0.01052 -0.01114 110 4ZZ 0.00044 0.00048 0.00044 -0.01235 -0.00972 111 4XY -0.00016 -0.00020 -0.00005 0.00043 -0.00071 112 4XZ -0.00012 -0.00007 -0.00011 -0.00139 0.00303 113 4YZ -0.00030 0.00015 0.00022 0.00036 -0.00063 114 12 O 1S -0.00397 0.00327 -0.00447 0.00020 -0.00028 115 2S 0.00634 -0.00635 0.00737 -0.00028 0.00221 116 2PX 0.02799 0.00654 -0.04002 0.00001 0.00073 117 2PY 0.04900 0.01532 0.05042 0.00020 -0.00434 118 2PZ -0.03603 -0.01798 0.02324 0.00001 0.00027 119 3S 0.00678 -0.02236 0.00516 -0.00138 -0.00211 120 3PX 0.02432 0.00310 -0.03075 -0.00007 0.00037 121 3PY 0.03124 0.01315 0.03114 0.00030 -0.00145 122 3PZ -0.02715 -0.01176 0.02065 0.00008 0.00000 123 4XX 0.00065 0.00142 0.00121 0.00005 0.00026 124 4YY -0.00293 -0.00059 -0.00307 0.00013 0.00025 125 4ZZ 0.00121 0.00099 0.00123 0.00005 0.00030 126 4XY 0.00098 -0.00111 0.00033 -0.00002 0.00002 127 4XZ -0.00057 -0.00090 -0.00066 -0.00001 -0.00001 128 4YZ 0.00012 0.00182 0.00119 -0.00003 0.00003 129 13 C 1S 0.00083 -0.00029 -0.00083 0.00024 -0.00018 130 2S -0.00320 0.00056 0.00234 0.00049 -0.00110 131 2PX 0.00603 -0.00063 -0.00246 0.00035 0.00017 132 2PY -0.01076 0.00012 0.00009 0.00074 -0.00163 133 2PZ -0.00035 -0.00114 -0.00087 0.00016 0.00044 134 3S -0.00233 0.00159 0.00401 -0.00476 0.00804 135 3PX 0.00241 0.00009 0.00036 0.00143 -0.00148 136 3PY -0.00620 0.00020 0.00013 0.00147 -0.00307 137 3PZ 0.00833 -0.00181 -0.00157 -0.00081 0.00101 138 4XX 0.00050 -0.00022 -0.00043 0.00014 -0.00011 139 4YY -0.00036 0.00003 0.00021 0.00003 -0.00008 140 4ZZ 0.00040 0.00013 0.00022 0.00007 -0.00033 141 4XY 0.00071 0.00018 0.00045 -0.00007 0.00025 142 4XZ 0.00017 -0.00008 -0.00027 0.00004 -0.00005 143 4YZ -0.00012 0.00020 0.00039 0.00007 -0.00012 144 14 H 1S 0.00329 -0.00095 -0.00211 0.00040 0.00007 145 2S 0.00284 -0.00172 -0.00454 0.00027 0.00025 146 15 H 1S 0.00077 0.00092 0.00127 -0.00013 -0.00052 147 2S 0.00729 0.00005 0.00022 0.00001 -0.00150 148 16 C 1S -0.00096 0.00008 -0.00041 0.00002 0.00104 149 2S 0.00250 0.00027 0.00144 0.00013 -0.00046 150 2PX -0.01543 -0.00156 -0.00496 -0.00136 -0.00094 151 2PY 0.00349 0.00031 0.00267 -0.00116 0.00385 152 2PZ -0.01173 -0.00099 -0.00351 -0.00019 -0.00023 153 3S 0.00106 -0.00220 -0.00110 0.00331 -0.00026 154 3PX -0.01231 -0.00160 -0.00557 0.00187 -0.00775 155 3PY -0.00905 0.00129 0.00274 -0.00005 0.00302 156 3PZ -0.00993 -0.00148 -0.00526 -0.00172 0.00380 157 4XX 0.00095 -0.00004 -0.00014 0.00012 -0.00036 158 4YY -0.00017 0.00008 0.00018 0.00003 -0.00040 159 4ZZ -0.00061 0.00008 0.00007 -0.00011 -0.00010 160 4XY 0.00034 0.00004 0.00013 0.00009 -0.00030 161 4XZ -0.00094 -0.00015 -0.00042 -0.00001 -0.00018 162 4YZ 0.00022 0.00001 -0.00003 -0.00004 0.00007 163 17 H 1S -0.00185 0.00008 -0.00067 0.00088 -0.00275 164 2S -0.01070 0.00246 0.00261 -0.00261 0.00491 165 18 C 1S 0.00043 -0.00013 -0.00008 0.00008 0.00050 166 2S -0.00323 0.00018 -0.00015 -0.00042 0.00099 167 2PX -0.01876 -0.00112 -0.00638 -0.00090 -0.00313 168 2PY 0.00561 0.00071 0.00131 -0.00047 0.00003 169 2PZ -0.00478 -0.00055 -0.00237 -0.00006 -0.00187 170 3S 0.00889 0.00182 0.00193 0.00257 -0.00913 171 3PX -0.01460 -0.00153 -0.00477 -0.00070 -0.00255 172 3PY 0.00989 -0.00030 -0.00082 0.00022 -0.00128 173 3PZ -0.00932 -0.00098 -0.00298 -0.00037 0.00119 174 4XX -0.00033 -0.00012 -0.00012 -0.00008 0.00012 175 4YY 0.00021 -0.00001 -0.00003 0.00002 -0.00021 176 4ZZ 0.00014 -0.00004 0.00015 -0.00002 0.00012 177 4XY 0.00062 0.00022 0.00028 0.00004 -0.00017 178 4XZ 0.00053 0.00004 0.00011 0.00008 -0.00009 179 4YZ -0.00046 0.00005 0.00011 0.00005 -0.00015 180 19 H 1S -0.00016 -0.00014 -0.00033 0.00021 -0.00021 181 2S 0.00519 -0.00043 -0.00047 -0.00054 0.00131 182 20 C 1S 0.00350 0.00004 -0.00004 -0.00016 0.00044 183 2S -0.00585 -0.00040 -0.00012 0.00014 -0.00059 184 2PX 0.00485 0.00335 0.00798 -0.00043 0.00120 185 2PY -0.00108 0.00039 0.00180 -0.00067 0.00200 186 2PZ 0.02205 0.00152 0.00155 -0.00020 0.00108 187 3S -0.02351 0.00251 0.00356 0.00201 -0.00485 188 3PX 0.00798 0.00201 0.00650 -0.00043 0.00187 189 3PY 0.00179 -0.00110 0.00185 -0.00120 0.00195 190 3PZ 0.00098 0.00409 0.00497 -0.00053 0.00157 191 4XX -0.00067 -0.00003 0.00003 -0.00002 0.00001 192 4YY -0.00061 -0.00005 0.00013 -0.00006 0.00015 193 4ZZ 0.00208 -0.00019 -0.00048 0.00000 -0.00009 194 4XY -0.00044 -0.00007 -0.00008 -0.00007 0.00016 195 4XZ 0.00137 0.00003 -0.00012 0.00000 -0.00014 196 4YZ -0.00078 -0.00005 -0.00004 0.00002 0.00000 197 21 H 1S -0.00585 0.00036 0.00171 -0.00040 0.00113 198 2S 0.00115 0.00055 -0.00139 -0.00039 0.00158 199 22 C 1S -0.00245 0.00051 0.00044 0.00009 0.00046 200 2S 0.00865 -0.00056 -0.00029 0.00004 -0.00094 201 2PX 0.00701 0.00319 0.00248 -0.00058 -0.00178 202 2PY 0.00133 -0.00123 -0.00072 0.00026 0.00031 203 2PZ -0.01278 0.00012 0.00250 -0.00030 -0.00045 204 3S 0.01010 -0.00538 -0.00436 -0.00129 0.00332 205 3PX 0.00617 0.00196 0.00145 -0.00031 -0.00128 206 3PY 0.00973 -0.00175 -0.00226 0.00079 -0.00159 207 3PZ -0.00648 0.00094 0.00170 0.00006 -0.00128 208 4XX -0.00005 0.00004 -0.00007 -0.00001 -0.00004 209 4YY -0.00013 0.00004 0.00005 -0.00007 0.00014 210 4ZZ -0.00027 -0.00015 -0.00016 0.00003 -0.00012 211 4XY 0.00098 0.00008 0.00033 -0.00001 0.00023 212 4XZ -0.00083 -0.00011 -0.00023 0.00000 0.00002 213 4YZ -0.00024 -0.00005 0.00016 -0.00002 0.00008 214 23 H 1S -0.00436 -0.00110 0.00044 0.00003 0.00001 215 2S -0.00729 0.00167 0.00292 -0.00002 0.00020 101 102 103 104 105 101 2PX 0.68659 102 2PY 0.00026 0.60049 103 2PZ -0.13538 0.01050 0.70008 104 3S -0.01766 -0.24258 -0.00872 0.76575 105 3PX 0.46895 -0.01100 -0.10557 -0.00898 0.32257 106 3PY -0.00678 0.32746 0.00476 -0.14986 -0.01066 107 3PZ -0.10561 0.00122 0.47860 -0.00388 -0.08095 108 4XX 0.00606 -0.00547 -0.00172 -0.01016 0.00412 109 4YY -0.00330 0.04158 -0.00188 -0.02361 -0.00290 110 4ZZ -0.00199 -0.00537 0.00449 -0.01036 -0.00131 111 4XY 0.03360 0.00297 -0.00060 -0.00163 0.02228 112 4XZ 0.00305 -0.00024 0.00472 0.00377 0.00196 113 4YZ -0.00077 0.00208 0.03375 -0.00115 -0.00103 114 12 O 1S 0.00001 -0.00020 0.00001 -0.00138 -0.00007 115 2S 0.00073 0.00434 0.00027 -0.00211 0.00037 116 2PX 0.03809 -0.00765 0.02647 -0.00448 0.02822 117 2PY 0.00768 -0.00191 0.00734 0.01445 0.00667 118 2PZ 0.02648 -0.00732 0.02922 -0.00330 0.02151 119 3S -0.00446 -0.01446 -0.00329 0.01464 -0.00214 120 3PX 0.02822 -0.00664 0.02151 -0.00215 0.02092 121 3PY 0.00684 0.00267 0.00649 0.00378 0.00538 122 3PZ 0.02247 -0.00551 0.02087 -0.00185 0.01820 123 4XX 0.00071 0.00112 0.00048 -0.00017 0.00051 124 4YY -0.00022 0.00065 -0.00040 -0.00177 -0.00030 125 4ZZ 0.00015 0.00132 0.00005 -0.00023 0.00008 126 4XY -0.00107 0.00048 -0.00087 0.00035 -0.00086 127 4XZ 0.00034 0.00006 0.00033 0.00007 0.00027 128 4YZ -0.00093 0.00033 -0.00091 0.00034 -0.00071 129 13 C 1S -0.00441 0.00109 -0.00306 -0.00232 -0.00333 130 2S 0.00436 -0.00039 0.00799 -0.00094 0.00352 131 2PX -0.01328 0.00294 -0.00969 -0.00568 -0.01190 132 2PY -0.00695 -0.00039 0.00075 -0.00405 -0.00475 133 2PZ 0.00371 -0.00110 0.00060 -0.00527 0.00345 134 3S 0.05111 -0.02349 0.01831 0.01702 0.03584 135 3PX -0.00742 0.00417 0.00310 -0.00857 -0.00637 136 3PY -0.01811 0.00315 -0.00360 -0.00603 -0.01207 137 3PZ 0.01649 -0.01204 0.00839 0.00312 0.01109 138 4XX -0.00258 0.00049 -0.00196 -0.00138 -0.00204 139 4YY 0.00060 -0.00022 0.00103 0.00010 0.00059 140 4ZZ 0.00040 -0.00035 0.00114 0.00051 0.00026 141 4XY -0.00188 0.00065 -0.00237 -0.00029 -0.00142 142 4XZ -0.00059 0.00052 -0.00095 -0.00009 -0.00053 143 4YZ -0.00144 0.00048 -0.00164 -0.00055 -0.00107 144 14 H 1S -0.01045 0.00265 -0.00951 -0.00632 -0.00896 145 2S -0.02176 0.00584 -0.02377 -0.00584 -0.01707 146 15 H 1S 0.00395 -0.00092 0.00395 0.00512 0.00246 147 2S 0.00371 -0.00566 0.01007 0.00637 0.00189 148 16 C 1S 0.00671 -0.00220 0.00470 -0.00433 0.00330 149 2S -0.01577 0.00161 -0.01021 -0.00427 -0.00847 150 2PX 0.05927 -0.01340 0.05466 0.02493 0.04593 151 2PY 0.00596 -0.00120 -0.00482 -0.00043 0.00206 152 2PZ 0.02464 -0.00545 0.01915 0.00379 0.01829 153 3S -0.03817 0.03809 -0.01564 -0.01614 -0.02435 154 3PX 0.00778 -0.00519 0.04016 0.00654 0.00848 155 3PY 0.01146 0.01182 -0.02447 -0.00237 0.00817 156 3PZ 0.04102 -0.00074 0.01840 0.01047 0.02893 157 4XX -0.00119 -0.00034 0.00021 -0.00078 -0.00131 158 4YY 0.00008 0.00000 0.00047 -0.00004 0.00042 159 4ZZ -0.00010 -0.00018 -0.00073 0.00046 -0.00009 160 4XY 0.00108 -0.00035 0.00078 -0.00015 0.00069 161 4XZ -0.00080 -0.00058 0.00055 0.00090 -0.00072 162 4YZ 0.00044 -0.00016 0.00023 0.00020 0.00036 163 17 H 1S -0.00388 0.00241 0.00152 -0.00001 0.00023 164 2S 0.04713 -0.00930 -0.01200 0.01213 0.03572 165 18 C 1S 0.00106 0.00007 0.00187 -0.00226 -0.00032 166 2S 0.00278 0.00268 -0.00135 0.00114 0.00332 167 2PX 0.00947 -0.00752 0.02236 0.02867 0.00678 168 2PY 0.00493 0.00040 0.00513 0.00725 0.00323 169 2PZ -0.00299 -0.00178 0.00694 0.00981 -0.00225 170 3S -0.03982 -0.01594 -0.01539 -0.00790 -0.02783 171 3PX 0.00558 -0.00769 0.01976 0.01908 0.00372 172 3PY -0.00490 -0.00239 -0.00043 0.00026 -0.00433 173 3PZ 0.00944 0.01046 -0.00289 0.00706 0.00720 174 4XX 0.00184 0.00002 0.00118 0.00055 0.00123 175 4YY 0.00042 0.00030 0.00057 0.00013 0.00041 176 4ZZ -0.00163 0.00025 -0.00081 -0.00075 -0.00110 177 4XY -0.00163 0.00043 -0.00180 0.00014 -0.00134 178 4XZ -0.00229 0.00054 -0.00157 -0.00078 -0.00182 179 4YZ -0.00050 0.00019 -0.00041 0.00012 -0.00035 180 19 H 1S -0.00501 0.00096 -0.00450 -0.00342 -0.00306 181 2S -0.00046 -0.00495 0.00822 -0.00043 -0.00099 182 20 C 1S -0.00266 0.00117 -0.00560 0.00056 -0.00217 183 2S 0.00982 -0.00433 0.01017 0.00111 0.00756 184 2PX -0.01953 0.01040 -0.03096 0.00180 -0.01465 185 2PY -0.00519 0.00526 -0.01113 0.00264 -0.00487 186 2PZ -0.01286 0.00550 -0.01975 -0.00158 -0.01099 187 3S -0.01025 0.00083 0.02950 -0.00843 -0.00481 188 3PX -0.01780 0.01263 -0.03848 0.00013 -0.01394 189 3PY 0.01746 -0.00929 -0.00808 0.00699 0.01142 190 3PZ -0.01896 0.00991 -0.02547 -0.00196 -0.01390 191 4XX -0.00061 -0.00026 -0.00122 -0.00022 -0.00051 192 4YY 0.00095 -0.00015 0.00017 0.00017 0.00072 193 4ZZ -0.00086 -0.00008 -0.00094 0.00037 -0.00076 194 4XY -0.00005 0.00011 -0.00042 0.00013 -0.00003 195 4XZ -0.00175 0.00025 -0.00241 0.00055 -0.00142 196 4YZ 0.00022 0.00008 0.00002 -0.00010 0.00019 197 21 H 1S 0.00137 0.00223 -0.00144 0.00208 0.00090 198 2S -0.00358 0.00788 -0.00426 -0.00011 -0.00258 199 22 C 1S -0.00046 -0.00019 -0.00115 -0.00315 -0.00024 200 2S 0.00235 -0.00120 0.00363 0.00322 0.00183 201 2PX -0.03084 0.00652 -0.03452 0.01708 -0.02463 202 2PY -0.00431 -0.00088 -0.00468 -0.00512 -0.00384 203 2PZ -0.00643 0.00231 -0.00916 0.00704 -0.00453 204 3S 0.02006 0.00263 0.00704 0.01101 0.01329 205 3PX -0.02065 0.00226 -0.02470 0.01144 -0.01669 206 3PY -0.00979 -0.00250 -0.00560 -0.00404 -0.00775 207 3PZ -0.01611 0.00062 -0.00729 0.00217 -0.01145 208 4XX -0.00073 -0.00012 -0.00091 -0.00005 -0.00057 209 4YY 0.00069 -0.00004 0.00021 0.00027 0.00053 210 4ZZ 0.00112 -0.00087 0.00124 -0.00028 0.00087 211 4XY -0.00072 0.00055 -0.00158 -0.00098 -0.00054 212 4XZ -0.00005 -0.00012 0.00039 -0.00004 -0.00004 213 4YZ 0.00040 -0.00004 -0.00016 -0.00034 0.00035 214 23 H 1S 0.00415 -0.00131 0.00334 -0.00032 0.00339 215 2S 0.00749 -0.00161 0.00216 -0.00066 0.00597 106 107 108 109 110 106 3PY 0.18078 107 3PZ 0.00023 0.32940 108 4XX -0.00285 -0.00121 0.00051 109 4YY 0.02263 -0.00160 -0.00019 0.00322 110 4ZZ -0.00272 0.00308 0.00042 -0.00016 0.00049 111 4XY 0.00129 -0.00092 0.00029 0.00001 -0.00012 112 4XZ -0.00024 0.00310 -0.00004 -0.00011 -0.00004 113 4YZ 0.00100 0.02240 -0.00007 -0.00001 0.00021 114 12 O 1S -0.00030 0.00008 0.00005 0.00013 0.00005 115 2S 0.00145 0.00000 0.00026 0.00025 0.00030 116 2PX -0.00682 0.02246 0.00071 -0.00022 0.00015 117 2PY 0.00267 0.00552 -0.00112 -0.00065 -0.00132 118 2PZ -0.00647 0.02087 0.00048 -0.00040 0.00005 119 3S -0.00378 -0.00185 -0.00017 -0.00177 -0.00023 120 3PX -0.00537 0.01819 0.00051 -0.00030 0.00008 121 3PY 0.00210 0.00482 -0.00049 0.00009 -0.00060 122 3PZ -0.00480 0.01490 0.00035 -0.00035 0.00001 123 4XX 0.00049 0.00035 -0.00002 0.00009 -0.00003 124 4YY -0.00009 -0.00035 0.00009 0.00011 0.00011 125 4ZZ 0.00060 0.00001 -0.00003 0.00011 -0.00002 126 4XY 0.00039 -0.00072 -0.00003 0.00001 -0.00001 127 4XZ 0.00006 0.00027 0.00000 -0.00001 0.00000 128 4YZ 0.00028 -0.00072 -0.00002 0.00000 0.00000 129 13 C 1S 0.00033 -0.00278 0.00017 0.00009 0.00007 130 2S -0.00066 0.00754 -0.00018 0.00004 0.00010 131 2PX 0.00095 -0.01007 0.00051 0.00031 0.00015 132 2PY -0.00137 -0.00078 0.00031 -0.00013 -0.00001 133 2PZ -0.00201 -0.00084 0.00033 0.00011 0.00039 134 3S -0.01371 0.01476 0.00003 -0.00184 0.00004 135 3PX 0.00091 0.00135 0.00040 0.00050 0.00028 136 3PY 0.00135 -0.00312 0.00010 0.00031 0.00003 137 3PZ -0.00691 0.00469 0.00020 -0.00084 0.00012 138 4XX 0.00007 -0.00171 0.00009 0.00007 0.00004 139 4YY -0.00012 0.00080 -0.00001 -0.00002 0.00000 140 4ZZ 0.00002 0.00096 -0.00006 -0.00003 -0.00003 141 4XY 0.00033 -0.00189 0.00003 0.00004 0.00001 142 4XZ 0.00035 -0.00082 0.00000 0.00002 -0.00002 143 4YZ 0.00017 -0.00131 0.00003 0.00002 0.00000 144 14 H 1S 0.00038 -0.00874 0.00044 0.00034 0.00020 145 2S 0.00285 -0.01975 0.00043 0.00052 -0.00001 146 15 H 1S 0.00059 0.00441 -0.00039 -0.00020 -0.00026 147 2S -0.00145 0.00773 -0.00041 -0.00056 -0.00027 148 16 C 1S -0.00274 0.00334 0.00048 0.00036 0.00073 149 2S 0.00043 -0.00740 0.00031 0.00023 0.00009 150 2PX -0.00291 0.04436 -0.00178 -0.00147 -0.00061 151 2PY -0.00079 -0.00322 -0.00016 0.00053 0.00048 152 2PZ -0.00220 0.01412 -0.00043 -0.00012 0.00011 153 3S 0.01949 -0.01010 0.00008 0.00291 -0.00029 154 3PX 0.00064 0.03220 -0.00132 -0.00044 -0.00009 155 3PY 0.00586 -0.01638 -0.00005 0.00108 -0.00010 156 3PZ 0.00053 0.01438 -0.00044 -0.00023 -0.00030 157 4XX -0.00021 -0.00014 0.00005 0.00000 0.00002 158 4YY 0.00000 0.00052 -0.00002 -0.00003 -0.00002 159 4ZZ 0.00008 -0.00052 -0.00006 -0.00001 -0.00002 160 4XY -0.00015 0.00061 -0.00002 -0.00001 0.00001 161 4XZ 0.00000 0.00021 -0.00004 -0.00008 -0.00006 162 4YZ -0.00008 0.00011 0.00000 -0.00002 -0.00002 163 17 H 1S 0.00145 0.00167 0.00006 -0.00026 -0.00034 164 2S -0.00562 -0.00769 0.00025 -0.00122 -0.00049 165 18 C 1S -0.00071 0.00063 0.00032 0.00034 0.00028 166 2S 0.00164 -0.00010 -0.00025 0.00017 -0.00015 167 2PX 0.00482 0.01590 -0.00192 -0.00124 -0.00161 168 2PY 0.00228 0.00359 -0.00033 -0.00025 -0.00049 169 2PZ 0.00137 0.00624 -0.00063 -0.00081 -0.00069 170 3S -0.00747 -0.01180 0.00014 -0.00087 0.00051 171 3PX 0.00156 0.01391 -0.00120 -0.00104 -0.00108 172 3PY -0.00056 -0.00062 0.00008 -0.00023 0.00000 173 3PZ 0.00744 -0.00043 -0.00063 0.00044 -0.00080 174 4XX 0.00009 0.00079 -0.00003 -0.00001 -0.00002 175 4YY 0.00020 0.00053 -0.00002 -0.00001 -0.00003 176 4ZZ -0.00006 -0.00059 0.00004 0.00005 0.00004 177 4XY 0.00043 -0.00151 -0.00001 0.00000 -0.00005 178 4XZ 0.00022 -0.00135 0.00006 0.00005 0.00001 179 4YZ 0.00026 -0.00048 0.00000 0.00001 -0.00003 180 19 H 1S -0.00075 -0.00209 0.00009 -0.00001 0.00014 181 2S -0.00400 0.00594 0.00020 -0.00052 0.00033 182 20 C 1S 0.00108 -0.00457 0.00004 0.00008 -0.00007 183 2S -0.00314 0.00850 -0.00004 -0.00042 0.00008 184 2PX 0.00729 -0.02574 0.00006 0.00023 -0.00042 185 2PY 0.00444 -0.00948 -0.00009 0.00042 -0.00008 186 2PZ 0.00286 -0.01550 0.00025 0.00010 0.00001 187 3S -0.00128 0.02281 0.00005 0.00004 0.00058 188 3PX 0.00802 -0.03047 0.00008 0.00051 -0.00034 189 3PY -0.00424 -0.00637 -0.00002 -0.00064 -0.00018 190 3PZ 0.00560 -0.01981 0.00015 0.00044 -0.00003 191 4XX -0.00017 -0.00100 0.00003 0.00000 0.00000 192 4YY -0.00006 0.00018 -0.00001 0.00000 0.00002 193 4ZZ 0.00010 -0.00070 -0.00002 -0.00002 -0.00004 194 4XY 0.00008 -0.00032 0.00001 0.00000 0.00001 195 4XZ 0.00046 -0.00194 -0.00003 0.00000 -0.00007 196 4YZ 0.00001 0.00005 0.00000 0.00001 0.00000 197 21 H 1S 0.00193 -0.00145 -0.00011 0.00014 0.00000 198 2S 0.00485 -0.00338 -0.00004 0.00054 -0.00001 199 22 C 1S -0.00087 -0.00101 0.00024 0.00017 0.00029 200 2S -0.00006 0.00317 -0.00010 -0.00035 -0.00025 201 2PX 0.01074 -0.02874 -0.00093 -0.00044 -0.00164 202 2PY -0.00209 -0.00378 0.00037 0.00018 0.00042 203 2PZ 0.00438 -0.00829 -0.00040 0.00005 -0.00067 204 3S 0.00266 0.00535 -0.00051 -0.00013 -0.00076 205 3PX 0.00603 -0.02051 -0.00053 -0.00035 -0.00117 206 3PY -0.00177 -0.00428 0.00028 -0.00003 0.00023 207 3PZ 0.00199 -0.00675 -0.00004 -0.00017 -0.00025 208 4XX -0.00002 -0.00074 0.00001 -0.00001 0.00001 209 4YY 0.00003 0.00016 -0.00001 0.00000 -0.00001 210 4ZZ -0.00065 0.00104 0.00003 -0.00004 0.00003 211 4XY -0.00002 -0.00118 0.00007 0.00005 0.00005 212 4XZ -0.00008 0.00033 0.00000 0.00001 0.00001 213 4YZ -0.00012 -0.00013 0.00002 0.00003 0.00002 214 23 H 1S -0.00100 0.00243 0.00006 0.00004 0.00005 215 2S -0.00127 0.00172 -0.00002 0.00013 0.00011 111 112 113 114 115 111 4XY 0.00188 112 4XZ 0.00020 0.00009 113 4YZ 0.00016 0.00028 0.00187 114 12 O 1S 0.00002 -0.00001 0.00003 2.07870 115 2S -0.00002 -0.00001 -0.00003 -0.18242 0.50228 116 2PX 0.00107 0.00034 0.00093 0.00537 -0.01414 117 2PY 0.00048 -0.00006 0.00033 -0.04127 0.08227 118 2PZ 0.00087 0.00033 0.00091 0.00324 -0.00849 119 3S -0.00035 0.00007 -0.00034 -0.24486 0.59901 120 3PX 0.00087 0.00027 0.00071 0.00423 -0.01004 121 3PY 0.00039 -0.00006 0.00029 -0.03471 0.06389 122 3PZ 0.00072 0.00027 0.00072 0.00254 -0.00579 123 4XX 0.00003 0.00000 0.00002 -0.01244 -0.00951 124 4YY -0.00001 -0.00001 0.00000 -0.01052 -0.01113 125 4ZZ 0.00001 0.00000 0.00000 -0.01235 -0.00972 126 4XY -0.00001 -0.00001 -0.00003 -0.00043 0.00071 127 4XZ 0.00001 0.00001 0.00000 -0.00139 0.00303 128 4YZ -0.00003 0.00000 -0.00001 -0.00036 0.00063 129 13 C 1S -0.00022 -0.00006 -0.00005 0.00024 -0.00018 130 2S 0.00023 0.00007 0.00015 0.00049 -0.00110 131 2PX -0.00064 -0.00010 -0.00022 0.00035 0.00017 132 2PY -0.00048 0.00003 -0.00005 -0.00074 0.00163 133 2PZ 0.00016 -0.00001 0.00002 0.00016 0.00045 134 3S 0.00261 0.00047 0.00081 -0.00476 0.00804 135 3PX -0.00029 -0.00001 0.00003 0.00144 -0.00148 136 3PY -0.00106 -0.00011 -0.00027 -0.00147 0.00307 137 3PZ 0.00096 0.00009 0.00061 -0.00081 0.00101 138 4XX -0.00013 -0.00002 -0.00005 0.00014 -0.00011 139 4YY 0.00003 0.00001 0.00002 0.00003 -0.00008 140 4ZZ 0.00004 0.00000 0.00004 0.00007 -0.00033 141 4XY -0.00009 -0.00001 -0.00005 0.00007 -0.00025 142 4XZ -0.00003 -0.00001 -0.00002 0.00004 -0.00005 143 4YZ -0.00008 -0.00001 -0.00004 -0.00007 0.00012 144 14 H 1S -0.00055 -0.00010 -0.00027 0.00040 0.00007 145 2S -0.00117 -0.00026 -0.00070 0.00027 0.00025 146 15 H 1S 0.00023 0.00006 0.00013 -0.00013 -0.00052 147 2S 0.00035 0.00004 0.00055 0.00001 -0.00150 148 16 C 1S 0.00027 0.00001 0.00020 -0.00016 0.00044 149 2S -0.00091 -0.00004 -0.00049 0.00014 -0.00059 150 2PX 0.00280 0.00028 0.00144 -0.00043 0.00120 151 2PY 0.00045 -0.00006 0.00009 0.00067 -0.00200 152 2PZ 0.00088 0.00012 0.00039 -0.00020 0.00108 153 3S -0.00180 -0.00016 -0.00134 0.00201 -0.00485 154 3PX 0.00030 -0.00002 0.00095 -0.00043 0.00188 155 3PY 0.00030 -0.00012 -0.00118 0.00120 -0.00195 156 3PZ 0.00211 0.00028 0.00035 -0.00053 0.00157 157 4XX 0.00002 0.00000 0.00005 -0.00002 0.00001 158 4YY -0.00004 0.00000 -0.00001 -0.00006 0.00015 159 4ZZ -0.00003 -0.00002 -0.00001 0.00000 -0.00009 160 4XY 0.00008 0.00000 0.00003 0.00007 -0.00016 161 4XZ 0.00001 -0.00002 0.00005 0.00000 -0.00014 162 4YZ 0.00002 0.00000 0.00000 -0.00002 0.00000 163 17 H 1S -0.00040 0.00004 -0.00021 -0.00040 0.00113 164 2S 0.00175 0.00022 -0.00057 -0.00039 0.00158 165 18 C 1S 0.00001 -0.00004 0.00003 0.00009 0.00046 166 2S -0.00005 0.00004 -0.00019 0.00004 -0.00094 167 2PX 0.00120 -0.00022 0.00078 -0.00058 -0.00178 168 2PY 0.00026 -0.00011 0.00037 -0.00026 -0.00031 169 2PZ 0.00037 0.00000 0.00023 -0.00030 -0.00045 170 3S -0.00216 -0.00029 -0.00034 -0.00129 0.00331 171 3PX 0.00085 -0.00013 0.00081 -0.00031 -0.00128 172 3PY -0.00004 -0.00003 0.00007 -0.00079 0.00159 173 3PZ 0.00068 -0.00005 -0.00052 0.00006 -0.00128 174 4XX 0.00011 0.00002 0.00007 -0.00001 -0.00004 175 4YY 0.00001 0.00000 0.00001 -0.00007 0.00014 176 4ZZ -0.00009 0.00000 -0.00003 0.00003 -0.00012 177 4XY -0.00003 -0.00001 -0.00002 0.00001 -0.00023 178 4XZ -0.00009 -0.00001 -0.00003 0.00000 0.00002 179 4YZ -0.00002 -0.00001 0.00000 0.00002 -0.00008 180 19 H 1S -0.00021 0.00008 -0.00029 0.00003 0.00001 181 2S 0.00026 0.00021 0.00050 -0.00002 0.00020 182 20 C 1S -0.00006 -0.00001 -0.00014 0.00002 0.00104 183 2S 0.00041 0.00009 0.00018 0.00013 -0.00045 184 2PX -0.00078 0.00003 -0.00053 -0.00136 -0.00094 185 2PY -0.00026 -0.00006 -0.00014 0.00116 -0.00385 186 2PZ -0.00046 0.00002 -0.00032 -0.00019 -0.00023 187 3S -0.00082 0.00011 0.00087 0.00331 -0.00026 188 3PX -0.00073 -0.00006 -0.00099 0.00187 -0.00775 189 3PY 0.00095 0.00000 -0.00018 0.00005 -0.00302 190 3PZ -0.00107 -0.00006 -0.00058 -0.00172 0.00380 191 4XX -0.00003 -0.00002 -0.00005 0.00012 -0.00036 192 4YY 0.00004 0.00000 0.00001 0.00003 -0.00040 193 4ZZ -0.00001 -0.00001 -0.00003 -0.00011 -0.00010 194 4XY -0.00002 0.00000 -0.00001 -0.00009 0.00030 195 4XZ -0.00004 -0.00003 -0.00006 -0.00001 -0.00018 196 4YZ 0.00001 0.00001 -0.00001 0.00004 -0.00007 197 21 H 1S -0.00001 0.00001 0.00005 0.00088 -0.00275 198 2S -0.00031 0.00001 -0.00003 -0.00261 0.00490 199 22 C 1S -0.00002 0.00001 -0.00007 0.00008 0.00050 200 2S 0.00009 0.00002 0.00019 -0.00042 0.00099 201 2PX -0.00056 -0.00032 -0.00062 -0.00090 -0.00313 202 2PY -0.00013 0.00008 -0.00018 0.00047 -0.00003 203 2PZ -0.00008 -0.00013 -0.00017 -0.00006 -0.00187 204 3S 0.00128 0.00004 0.00021 0.00257 -0.00912 205 3PX -0.00033 -0.00023 -0.00050 -0.00070 -0.00255 206 3PY -0.00036 -0.00001 -0.00018 -0.00022 0.00128 207 3PZ -0.00070 -0.00008 0.00004 -0.00037 0.00119 208 4XX -0.00003 0.00000 -0.00003 -0.00008 0.00012 209 4YY 0.00002 0.00000 0.00001 0.00002 -0.00021 210 4ZZ 0.00005 0.00001 0.00002 -0.00002 0.00012 211 4XY -0.00006 0.00001 -0.00004 -0.00004 0.00017 212 4XZ -0.00001 -0.00001 0.00000 0.00008 -0.00009 213 4YZ 0.00000 0.00000 -0.00001 -0.00005 0.00015 214 23 H 1S 0.00014 0.00004 0.00007 0.00021 -0.00021 215 2S 0.00026 0.00002 -0.00006 -0.00054 0.00131 116 117 118 119 120 116 2PX 0.68661 117 2PY -0.00020 0.60050 118 2PZ -0.13538 -0.01060 0.70006 119 3S -0.01785 0.24258 -0.00871 0.76574 120 3PX 0.46894 0.01110 -0.10557 -0.00910 0.32256 121 3PY 0.00689 0.32747 -0.00484 0.14986 0.01076 122 3PZ -0.10561 -0.00129 0.47858 -0.00387 -0.08096 123 4XX 0.00610 0.00547 -0.00172 -0.01016 0.00415 124 4YY -0.00331 -0.04158 -0.00188 -0.02361 -0.00291 125 4ZZ -0.00199 0.00536 0.00449 -0.01036 -0.00131 126 4XY -0.03360 0.00299 0.00060 0.00165 -0.02227 127 4XZ 0.00305 0.00024 0.00475 0.00376 0.00196 128 4YZ 0.00077 0.00208 -0.03374 0.00116 0.00103 129 13 C 1S -0.00440 -0.00109 -0.00306 -0.00232 -0.00333 130 2S 0.00436 0.00040 0.00799 -0.00094 0.00352 131 2PX -0.01328 -0.00295 -0.00969 -0.00568 -0.01190 132 2PY 0.00694 -0.00038 -0.00075 0.00404 0.00474 133 2PZ 0.00371 0.00110 0.00060 -0.00527 0.00345 134 3S 0.05109 0.02354 0.01831 0.01702 0.03583 135 3PX -0.00743 -0.00418 0.00310 -0.00857 -0.00638 136 3PY 0.01810 0.00315 0.00360 0.00602 0.01206 137 3PZ 0.01648 0.01206 0.00839 0.00312 0.01108 138 4XX -0.00258 -0.00050 -0.00196 -0.00138 -0.00204 139 4YY 0.00060 0.00022 0.00103 0.00010 0.00059 140 4ZZ 0.00040 0.00035 0.00114 0.00051 0.00026 141 4XY 0.00188 0.00065 0.00237 0.00029 0.00142 142 4XZ -0.00059 -0.00052 -0.00095 -0.00009 -0.00053 143 4YZ 0.00144 0.00048 0.00164 0.00055 0.00107 144 14 H 1S -0.01044 -0.00265 -0.00951 -0.00632 -0.00895 145 2S -0.02174 -0.00585 -0.02377 -0.00584 -0.01706 146 15 H 1S 0.00394 0.00092 0.00395 0.00512 0.00246 147 2S 0.00371 0.00566 0.01007 0.00637 0.00189 148 16 C 1S -0.00265 -0.00117 -0.00560 0.00056 -0.00217 149 2S 0.00981 0.00433 0.01017 0.00111 0.00755 150 2PX -0.01952 -0.01042 -0.03097 0.00180 -0.01464 151 2PY 0.00517 0.00526 0.01112 -0.00264 0.00486 152 2PZ -0.01284 -0.00551 -0.01975 -0.00158 -0.01098 153 3S -0.01026 -0.00083 0.02948 -0.00843 -0.00482 154 3PX -0.01777 -0.01265 -0.03848 0.00013 -0.01392 155 3PY -0.01745 -0.00931 0.00806 -0.00699 -0.01142 156 3PZ -0.01894 -0.00993 -0.02547 -0.00196 -0.01388 157 4XX -0.00061 0.00026 -0.00122 -0.00022 -0.00052 158 4YY 0.00095 0.00015 0.00017 0.00017 0.00072 159 4ZZ -0.00086 0.00008 -0.00094 0.00037 -0.00076 160 4XY 0.00004 0.00011 0.00042 -0.00013 0.00003 161 4XZ -0.00175 -0.00025 -0.00241 0.00055 -0.00142 162 4YZ -0.00022 0.00008 -0.00003 0.00010 -0.00019 163 17 H 1S 0.00138 -0.00222 -0.00144 0.00209 0.00090 164 2S -0.00356 -0.00788 -0.00425 -0.00010 -0.00256 165 18 C 1S -0.00046 0.00019 -0.00115 -0.00315 -0.00024 166 2S 0.00235 0.00120 0.00362 0.00322 0.00183 167 2PX -0.03083 -0.00654 -0.03453 0.01708 -0.02462 168 2PY 0.00429 -0.00088 0.00466 0.00512 0.00382 169 2PZ -0.00643 -0.00232 -0.00916 0.00705 -0.00452 170 3S 0.02002 -0.00262 0.00704 0.01100 0.01327 171 3PX -0.02065 -0.00228 -0.02471 0.01144 -0.01669 172 3PY 0.00977 -0.00249 0.00559 0.00404 0.00773 173 3PZ -0.01610 -0.00063 -0.00730 0.00218 -0.01144 174 4XX -0.00073 0.00011 -0.00091 -0.00005 -0.00057 175 4YY 0.00069 0.00004 0.00021 0.00027 0.00053 176 4ZZ 0.00112 0.00087 0.00124 -0.00028 0.00087 177 4XY 0.00072 0.00055 0.00157 0.00098 0.00054 178 4XZ -0.00005 0.00012 0.00039 -0.00004 -0.00004 179 4YZ -0.00040 -0.00004 0.00016 0.00034 -0.00035 180 19 H 1S 0.00415 0.00132 0.00334 -0.00032 0.00339 181 2S 0.00749 0.00162 0.00217 -0.00066 0.00596 182 20 C 1S 0.00671 0.00221 0.00471 -0.00433 0.00330 183 2S -0.01576 -0.00163 -0.01021 -0.00427 -0.00847 184 2PX 0.05925 0.01345 0.05466 0.02493 0.04591 185 2PY -0.00593 -0.00119 0.00484 0.00045 -0.00204 186 2PZ 0.02463 0.00547 0.01915 0.00380 0.01828 187 3S -0.03814 -0.03812 -0.01565 -0.01613 -0.02433 188 3PX 0.00777 0.00519 0.04014 0.00653 0.00847 189 3PY -0.01145 0.01183 0.02447 0.00238 -0.00816 190 3PZ 0.04099 0.00076 0.01842 0.01046 0.02891 191 4XX -0.00119 0.00034 0.00021 -0.00078 -0.00131 192 4YY 0.00008 0.00000 0.00047 -0.00004 0.00041 193 4ZZ -0.00010 0.00018 -0.00073 0.00046 -0.00009 194 4XY -0.00108 -0.00035 -0.00078 0.00015 -0.00069 195 4XZ -0.00080 0.00058 0.00055 0.00090 -0.00072 196 4YZ -0.00044 -0.00016 -0.00023 -0.00020 -0.00036 197 21 H 1S -0.00387 -0.00241 0.00152 0.00000 0.00023 198 2S 0.04709 0.00932 -0.01198 0.01212 0.03569 199 22 C 1S 0.00106 -0.00007 0.00187 -0.00226 -0.00032 200 2S 0.00279 -0.00267 -0.00134 0.00115 0.00332 201 2PX 0.00945 0.00753 0.02235 0.02868 0.00677 202 2PY -0.00492 0.00040 -0.00511 -0.00723 -0.00323 203 2PZ -0.00300 0.00178 0.00694 0.00981 -0.00226 204 3S -0.03979 0.01593 -0.01540 -0.00789 -0.02781 205 3PX 0.00556 0.00770 0.01975 0.01908 0.00372 206 3PY 0.00489 -0.00239 0.00044 -0.00026 0.00432 207 3PZ 0.00943 -0.01046 -0.00287 0.00706 0.00719 208 4XX 0.00184 -0.00002 0.00118 0.00055 0.00123 209 4YY 0.00043 -0.00030 0.00057 0.00013 0.00042 210 4ZZ -0.00163 -0.00025 -0.00081 -0.00075 -0.00110 211 4XY 0.00163 0.00043 0.00180 -0.00014 0.00134 212 4XZ -0.00229 -0.00054 -0.00157 -0.00078 -0.00182 213 4YZ 0.00050 0.00019 0.00041 -0.00012 0.00035 214 23 H 1S -0.00500 -0.00096 -0.00450 -0.00342 -0.00306 215 2S -0.00045 0.00495 0.00821 -0.00043 -0.00099 121 122 123 124 125 121 3PY 0.18080 122 3PZ -0.00029 0.32939 123 4XX 0.00285 -0.00121 0.00051 124 4YY -0.02264 -0.00160 -0.00019 0.00322 125 4ZZ 0.00272 0.00308 0.00042 -0.00016 0.00049 126 4XY 0.00130 0.00092 -0.00029 -0.00001 0.00012 127 4XZ 0.00024 0.00311 -0.00004 -0.00011 -0.00004 128 4YZ 0.00100 -0.02240 0.00007 0.00001 -0.00021 129 13 C 1S -0.00033 -0.00278 0.00016 0.00009 0.00007 130 2S 0.00066 0.00754 -0.00018 0.00004 0.00010 131 2PX -0.00096 -0.01007 0.00051 0.00031 0.00015 132 2PY -0.00137 0.00078 -0.00031 0.00013 0.00001 133 2PZ 0.00201 -0.00084 0.00033 0.00011 0.00039 134 3S 0.01374 0.01476 0.00003 -0.00185 0.00004 135 3PX -0.00092 0.00135 0.00040 0.00050 0.00028 136 3PY 0.00136 0.00312 -0.00010 -0.00031 -0.00003 137 3PZ 0.00692 0.00470 0.00021 -0.00084 0.00012 138 4XX -0.00007 -0.00171 0.00009 0.00007 0.00004 139 4YY 0.00012 0.00080 -0.00001 -0.00002 0.00000 140 4ZZ -0.00002 0.00096 -0.00006 -0.00003 -0.00003 141 4XY 0.00033 0.00189 -0.00003 -0.00004 -0.00001 142 4XZ -0.00035 -0.00083 0.00000 0.00002 -0.00002 143 4YZ 0.00017 0.00131 -0.00003 -0.00002 0.00000 144 14 H 1S -0.00038 -0.00874 0.00044 0.00034 0.00020 145 2S -0.00286 -0.01975 0.00043 0.00052 -0.00001 146 15 H 1S -0.00059 0.00442 -0.00039 -0.00021 -0.00026 147 2S 0.00145 0.00774 -0.00041 -0.00056 -0.00027 148 16 C 1S -0.00108 -0.00457 0.00004 0.00008 -0.00007 149 2S 0.00314 0.00850 -0.00004 -0.00042 0.00008 150 2PX -0.00730 -0.02575 0.00006 0.00023 -0.00042 151 2PY 0.00445 0.00947 0.00009 -0.00042 0.00008 152 2PZ -0.00286 -0.01549 0.00025 0.00010 0.00001 153 3S 0.00128 0.02279 0.00005 0.00004 0.00058 154 3PX -0.00803 -0.03048 0.00008 0.00051 -0.00034 155 3PY -0.00425 0.00635 0.00002 0.00064 0.00018 156 3PZ -0.00561 -0.01981 0.00015 0.00045 -0.00003 157 4XX 0.00017 -0.00100 0.00003 0.00000 0.00000 158 4YY 0.00006 0.00019 -0.00001 0.00000 0.00002 159 4ZZ -0.00010 -0.00070 -0.00002 -0.00002 -0.00004 160 4XY 0.00008 0.00031 -0.00001 0.00000 -0.00001 161 4XZ -0.00047 -0.00194 -0.00003 0.00000 -0.00007 162 4YZ 0.00001 -0.00005 0.00000 -0.00001 0.00000 163 17 H 1S -0.00193 -0.00144 -0.00011 0.00014 0.00000 164 2S -0.00485 -0.00338 -0.00004 0.00054 -0.00001 165 18 C 1S 0.00087 -0.00101 0.00024 0.00017 0.00029 166 2S 0.00006 0.00317 -0.00010 -0.00035 -0.00025 167 2PX -0.01076 -0.02875 -0.00094 -0.00044 -0.00164 168 2PY -0.00210 0.00376 -0.00037 -0.00018 -0.00042 169 2PZ -0.00438 -0.00830 -0.00040 0.00005 -0.00067 170 3S -0.00265 0.00535 -0.00051 -0.00013 -0.00076 171 3PX -0.00604 -0.02052 -0.00053 -0.00035 -0.00117 172 3PY -0.00177 0.00427 -0.00028 0.00003 -0.00023 173 3PZ -0.00200 -0.00675 -0.00004 -0.00017 -0.00025 174 4XX 0.00002 -0.00075 0.00001 -0.00001 0.00001 175 4YY -0.00002 0.00016 -0.00001 0.00000 -0.00001 176 4ZZ 0.00066 0.00104 0.00003 -0.00004 0.00003 177 4XY -0.00002 0.00118 -0.00007 -0.00005 -0.00005 178 4XZ 0.00008 0.00033 0.00000 0.00001 0.00001 179 4YZ -0.00012 0.00013 -0.00002 -0.00003 -0.00002 180 19 H 1S 0.00101 0.00243 0.00006 0.00004 0.00005 181 2S 0.00128 0.00172 -0.00002 0.00013 0.00011 182 20 C 1S 0.00274 0.00335 0.00048 0.00036 0.00073 183 2S -0.00043 -0.00741 0.00031 0.00023 0.00009 184 2PX 0.00295 0.04435 -0.00178 -0.00148 -0.00061 185 2PY -0.00079 0.00324 0.00015 -0.00053 -0.00048 186 2PZ 0.00221 0.01412 -0.00043 -0.00012 0.00011 187 3S -0.01951 -0.01010 0.00008 0.00291 -0.00029 188 3PX -0.00063 0.03219 -0.00132 -0.00044 -0.00009 189 3PY 0.00587 0.01638 0.00005 -0.00108 0.00010 190 3PZ -0.00051 0.01440 -0.00043 -0.00023 -0.00030 191 4XX 0.00021 -0.00014 0.00005 0.00000 0.00002 192 4YY 0.00000 0.00052 -0.00002 -0.00003 -0.00002 193 4ZZ -0.00009 -0.00052 -0.00006 -0.00001 -0.00002 194 4XY -0.00015 -0.00061 0.00002 0.00001 -0.00001 195 4XZ 0.00000 0.00021 -0.00004 -0.00008 -0.00006 196 4YZ -0.00008 -0.00011 0.00000 0.00002 0.00002 197 21 H 1S -0.00145 0.00167 0.00006 -0.00026 -0.00034 198 2S 0.00564 -0.00767 0.00025 -0.00122 -0.00049 199 22 C 1S 0.00071 0.00063 0.00032 0.00034 0.00028 200 2S -0.00163 -0.00009 -0.00025 0.00017 -0.00015 201 2PX -0.00482 0.01590 -0.00192 -0.00124 -0.00161 202 2PY 0.00228 -0.00357 0.00033 0.00025 0.00049 203 2PZ -0.00137 0.00623 -0.00063 -0.00081 -0.00069 204 3S 0.00746 -0.01181 0.00014 -0.00087 0.00051 205 3PX -0.00156 0.01391 -0.00120 -0.00104 -0.00108 206 3PY -0.00056 0.00063 -0.00008 0.00023 0.00000 207 3PZ -0.00743 -0.00042 -0.00063 0.00044 -0.00080 208 4XX -0.00009 0.00079 -0.00003 -0.00001 -0.00002 209 4YY -0.00019 0.00053 -0.00002 -0.00001 -0.00003 210 4ZZ 0.00006 -0.00059 0.00004 0.00005 0.00004 211 4XY 0.00043 0.00151 0.00001 0.00000 0.00005 212 4XZ -0.00023 -0.00135 0.00006 0.00005 0.00001 213 4YZ 0.00026 0.00048 0.00000 -0.00001 0.00003 214 23 H 1S 0.00074 -0.00209 0.00009 -0.00001 0.00014 215 2S 0.00400 0.00593 0.00020 -0.00052 0.00033 126 127 128 129 130 126 4XY 0.00188 127 4XZ -0.00020 0.00009 128 4YZ 0.00016 -0.00028 0.00187 129 13 C 1S 0.00022 -0.00006 0.00005 2.05187 130 2S -0.00023 0.00007 -0.00015 -0.05528 0.31100 131 2PX 0.00064 -0.00010 0.00022 -0.00158 -0.00201 132 2PY -0.00048 -0.00003 -0.00005 0.00000 0.00000 133 2PZ -0.00016 -0.00001 -0.00002 0.00255 -0.00190 134 3S -0.00261 0.00047 -0.00081 -0.19056 0.29251 135 3PX 0.00029 -0.00001 -0.00003 0.00014 0.00624 136 3PY -0.00106 0.00011 -0.00027 0.00000 0.00001 137 3PZ -0.00096 0.00009 -0.00061 0.00024 -0.00887 138 4XX 0.00013 -0.00002 0.00005 -0.01727 -0.00161 139 4YY -0.00003 0.00001 -0.00002 -0.01415 -0.00803 140 4ZZ -0.00004 0.00000 -0.00004 -0.01848 0.00061 141 4XY -0.00009 0.00001 -0.00005 0.00000 0.00000 142 4XZ 0.00003 -0.00001 0.00002 -0.00027 0.00081 143 4YZ -0.00008 0.00001 -0.00004 0.00000 0.00000 144 14 H 1S 0.00055 -0.00010 0.00027 -0.05176 0.09980 145 2S 0.00117 -0.00026 0.00070 -0.00266 0.01302 146 15 H 1S -0.00023 0.00006 -0.00013 -0.05585 0.10753 147 2S -0.00035 0.00004 -0.00055 -0.00830 0.02187 148 16 C 1S 0.00006 -0.00001 0.00014 0.01234 -0.02332 149 2S -0.00041 0.00009 -0.00018 -0.02270 0.04045 150 2PX 0.00078 0.00003 0.00053 -0.02741 0.05236 151 2PY -0.00026 0.00006 -0.00014 -0.04717 0.09368 152 2PZ 0.00046 0.00002 0.00032 0.03281 -0.07181 153 3S 0.00082 0.00011 -0.00087 -0.00036 0.01920 154 3PX 0.00073 -0.00006 0.00099 -0.00242 0.00915 155 3PY 0.00095 0.00000 -0.00018 -0.00890 0.02545 156 3PZ 0.00107 -0.00006 0.00058 0.00171 -0.01186 157 4XX 0.00003 -0.00002 0.00005 0.00006 -0.00058 158 4YY -0.00004 0.00000 -0.00001 -0.00269 0.00464 159 4ZZ 0.00001 -0.00001 0.00003 0.00080 -0.00256 160 4XY -0.00002 0.00000 -0.00001 -0.00385 0.00711 161 4XZ 0.00004 -0.00003 0.00006 0.00226 -0.00455 162 4YZ 0.00001 -0.00001 0.00000 0.00407 -0.00790 163 17 H 1S 0.00001 0.00001 -0.00005 0.01052 -0.02182 164 2S 0.00031 0.00001 0.00003 0.01002 -0.01987 165 18 C 1S 0.00002 0.00001 0.00007 -0.00480 0.01059 166 2S -0.00009 0.00002 -0.00019 0.00976 -0.02364 167 2PX 0.00056 -0.00032 0.00062 0.00847 -0.02964 168 2PY -0.00013 -0.00008 -0.00018 0.00735 -0.01200 169 2PZ 0.00008 -0.00013 0.00017 -0.00985 0.02333 170 3S -0.00128 0.00004 -0.00021 0.01725 -0.03554 171 3PX 0.00033 -0.00023 0.00050 0.00734 -0.02178 172 3PY -0.00036 0.00001 -0.00018 0.00159 -0.00164 173 3PZ 0.00070 -0.00008 -0.00004 -0.00609 0.01038 174 4XX 0.00003 0.00000 0.00003 -0.00071 0.00132 175 4YY -0.00002 0.00000 -0.00001 0.00079 -0.00151 176 4ZZ -0.00005 0.00001 -0.00002 -0.00154 0.00325 177 4XY -0.00006 -0.00001 -0.00004 -0.00001 -0.00010 178 4XZ 0.00001 -0.00001 0.00000 0.00102 -0.00229 179 4YZ 0.00000 0.00000 -0.00001 0.00112 -0.00248 180 19 H 1S -0.00014 0.00004 -0.00007 -0.00796 0.01726 181 2S -0.00026 0.00002 0.00006 -0.01012 0.02305 182 20 C 1S -0.00027 0.00001 -0.00020 0.01234 -0.02332 183 2S 0.00091 -0.00004 0.00049 -0.02270 0.04044 184 2PX -0.00280 0.00028 -0.00144 -0.02744 0.05242 185 2PY 0.00045 0.00006 0.00009 0.04714 -0.09363 186 2PZ -0.00088 0.00012 -0.00039 0.03282 -0.07183 187 3S 0.00180 -0.00016 0.00134 -0.00036 0.01920 188 3PX -0.00030 -0.00002 -0.00095 -0.00242 0.00917 189 3PY 0.00030 0.00012 -0.00118 0.00890 -0.02544 190 3PZ -0.00211 0.00028 -0.00035 0.00171 -0.01186 191 4XX -0.00002 0.00000 -0.00005 0.00006 -0.00057 192 4YY 0.00004 0.00000 0.00001 -0.00268 0.00462 193 4ZZ 0.00003 -0.00002 0.00001 0.00080 -0.00256 194 4XY 0.00008 0.00000 0.00003 0.00385 -0.00711 195 4XZ -0.00001 -0.00002 -0.00005 0.00226 -0.00456 196 4YZ 0.00002 0.00000 0.00000 -0.00407 0.00790 197 21 H 1S 0.00039 0.00004 0.00021 0.01051 -0.02182 198 2S -0.00175 0.00022 0.00057 0.01002 -0.01987 199 22 C 1S -0.00001 -0.00004 -0.00003 -0.00480 0.01059 200 2S 0.00005 0.00004 0.00019 0.00976 -0.02364 201 2PX -0.00120 -0.00021 -0.00078 0.00847 -0.02964 202 2PY 0.00026 0.00011 0.00037 -0.00734 0.01198 203 2PZ -0.00037 0.00000 -0.00023 -0.00985 0.02333 204 3S 0.00216 -0.00029 0.00034 0.01725 -0.03554 205 3PX -0.00085 -0.00013 -0.00081 0.00734 -0.02177 206 3PY -0.00004 0.00003 0.00007 -0.00159 0.00162 207 3PZ -0.00068 -0.00005 0.00052 -0.00609 0.01038 208 4XX -0.00011 0.00002 -0.00007 -0.00071 0.00132 209 4YY -0.00001 0.00000 -0.00001 0.00079 -0.00151 210 4ZZ 0.00009 0.00000 0.00003 -0.00154 0.00325 211 4XY -0.00003 0.00001 -0.00002 0.00000 0.00011 212 4XZ 0.00009 -0.00001 0.00003 0.00102 -0.00229 213 4YZ -0.00002 0.00001 0.00000 -0.00112 0.00248 214 23 H 1S 0.00021 0.00008 0.00029 -0.00796 0.01726 215 2S -0.00026 0.00021 -0.00050 -0.01012 0.02306 131 132 133 134 135 131 2PX 0.39924 132 2PY 0.00001 0.37725 133 2PZ 0.00372 0.00000 0.41347 134 3S -0.01634 0.00000 0.00966 0.32791 135 3PX 0.18216 0.00000 0.00489 -0.01334 0.09215 136 3PY 0.00000 0.17512 0.00000 0.00000 0.00000 137 3PZ 0.01071 0.00000 0.17862 0.01053 -0.00127 138 4XX 0.01977 0.00001 0.00945 -0.00232 0.00955 139 4YY -0.01043 -0.00001 0.00933 -0.00697 -0.00450 140 4ZZ -0.00375 0.00000 -0.02213 0.00270 -0.00233 141 4XY 0.00001 -0.01210 0.00000 0.00000 0.00001 142 4XZ 0.01335 0.00000 -0.00246 0.00055 0.00552 143 4YZ 0.00000 0.01399 0.00000 0.00000 0.00000 144 14 H 1S 0.25425 0.00008 0.07076 0.08464 0.11957 145 2S 0.21437 0.00007 0.05598 -0.00339 0.09700 146 15 H 1S -0.02040 0.00002 -0.26754 0.10177 -0.01103 147 2S -0.01480 0.00001 -0.22273 0.02474 -0.01386 148 16 C 1S 0.03363 0.05276 -0.02847 0.00432 0.00700 149 2S -0.07142 -0.11482 0.05587 0.01307 -0.02199 150 2PX -0.02303 -0.12815 0.06868 0.07377 -0.02166 151 2PY -0.10746 -0.17858 0.09597 0.11597 -0.04868 152 2PZ 0.08923 0.14490 -0.05633 -0.04975 0.03340 153 3S -0.07060 -0.07349 0.06261 -0.02552 -0.01236 154 3PX -0.00863 -0.05915 0.02008 0.01737 -0.01023 155 3PY -0.03463 -0.04487 0.03099 0.02001 -0.00916 156 3PZ 0.02968 0.06714 -0.01563 0.00222 0.00871 157 4XX 0.01081 -0.00120 0.00088 -0.00006 0.00452 158 4YY -0.00657 0.00678 0.00588 0.00194 -0.00171 159 4ZZ 0.00155 0.00140 -0.01146 -0.00041 -0.00070 160 4XY 0.00089 -0.00661 0.00604 0.00903 -0.00026 161 4XZ -0.00093 0.00403 0.00112 -0.00347 -0.00216 162 4YZ 0.00612 0.00616 -0.00013 -0.01039 0.00366 163 17 H 1S 0.01166 0.04678 -0.00965 -0.05206 0.01272 164 2S 0.01629 0.07857 -0.01113 -0.04277 0.01534 165 18 C 1S -0.00908 -0.00127 0.01438 0.01978 -0.00697 166 2S 0.01967 0.00956 -0.03538 -0.04001 0.01539 167 2PX -0.01932 -0.00955 -0.02352 -0.00430 -0.04249 168 2PY 0.01448 -0.02193 -0.01069 -0.08450 0.03280 169 2PZ -0.02847 -0.03483 0.02657 0.05176 -0.03393 170 3S 0.04372 -0.06033 -0.07185 -0.04265 0.01783 171 3PX -0.01546 -0.01125 -0.02426 -0.00180 -0.03171 172 3PY -0.00020 -0.04735 0.00893 -0.02404 0.00843 173 3PZ -0.01871 0.00650 0.01858 0.01547 -0.01619 174 4XX 0.00044 -0.00083 0.00216 0.00279 -0.00046 175 4YY 0.00166 0.00316 -0.00279 -0.00327 0.00135 176 4ZZ -0.00587 -0.00421 0.00508 0.00503 -0.00294 177 4XY -0.00157 -0.00021 0.00066 0.00158 -0.00218 178 4XZ 0.00282 0.00406 -0.00441 -0.00428 0.00196 179 4YZ 0.00323 0.00526 -0.00361 -0.00350 0.00121 180 19 H 1S -0.01844 -0.02217 0.01944 0.04675 -0.01855 181 2S -0.03410 -0.04501 0.03718 0.05482 -0.02527 182 20 C 1S 0.03366 -0.05273 -0.02848 0.00432 0.00701 183 2S -0.07150 0.11475 0.05589 0.01307 -0.02201 184 2PX -0.02320 0.12822 0.06876 0.07382 -0.02174 185 2PY 0.10754 -0.17839 -0.09594 -0.11591 0.04871 186 2PZ 0.08935 -0.14487 -0.05637 -0.04978 0.03346 187 3S -0.07065 0.07343 0.06261 -0.02552 -0.01237 188 3PX -0.00870 0.05917 0.02011 0.01737 -0.01026 189 3PY 0.03465 -0.04481 -0.03098 -0.02000 0.00917 190 3PZ 0.02973 -0.06712 -0.01565 0.00221 0.00873 191 4XX 0.01081 0.00121 0.00089 -0.00005 0.00452 192 4YY -0.00656 -0.00680 0.00587 0.00193 -0.00170 193 4ZZ 0.00155 -0.00140 -0.01146 -0.00041 -0.00070 194 4XY -0.00088 -0.00660 -0.00604 -0.00903 0.00027 195 4XZ -0.00093 -0.00403 0.00112 -0.00348 -0.00216 196 4YZ -0.00613 0.00615 0.00014 0.01039 -0.00366 197 21 H 1S 0.01169 -0.04677 -0.00966 -0.05206 0.01273 198 2S 0.01634 -0.07856 -0.01115 -0.04278 0.01537 199 22 C 1S -0.00908 0.00126 0.01438 0.01978 -0.00697 200 2S 0.01968 -0.00954 -0.03538 -0.04000 0.01540 201 2PX -0.01932 0.00956 -0.02352 -0.00436 -0.04248 202 2PY -0.01447 -0.02194 0.01067 0.08449 -0.03281 203 2PZ -0.02850 0.03480 0.02658 0.05177 -0.03396 204 3S 0.04368 0.06036 -0.07183 -0.04263 0.01781 205 3PX -0.01547 0.01127 -0.02425 -0.00182 -0.03171 206 3PY 0.00023 -0.04734 -0.00896 0.02402 -0.00843 207 3PZ -0.01871 -0.00652 0.01857 0.01547 -0.01619 208 4XX 0.00043 0.00083 0.00216 0.00279 -0.00046 209 4YY 0.00166 -0.00316 -0.00279 -0.00327 0.00135 210 4ZZ -0.00588 0.00421 0.00508 0.00503 -0.00294 211 4XY 0.00157 -0.00020 -0.00065 -0.00158 0.00218 212 4XZ 0.00282 -0.00406 -0.00441 -0.00428 0.00196 213 4YZ -0.00323 0.00525 0.00360 0.00349 -0.00121 214 23 H 1S -0.01846 0.02216 0.01945 0.04675 -0.01857 215 2S -0.03413 0.04498 0.03719 0.05482 -0.02530 136 137 138 139 140 136 3PY 0.08713 137 3PZ 0.00000 0.08815 138 4XX 0.00001 0.00350 0.00181 139 4YY -0.00001 0.00363 -0.00030 0.00134 140 4ZZ 0.00000 -0.00846 -0.00082 -0.00051 0.00194 141 4XY -0.00465 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 -0.00054 0.00062 -0.00031 -0.00020 143 4YZ 0.00581 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00004 0.03144 0.01513 -0.00789 -0.00637 145 2S 0.00003 0.02581 0.01416 -0.00560 -0.00648 146 15 H 1S 0.00001 -0.11485 -0.00796 -0.00865 0.01637 147 2S 0.00000 -0.08621 -0.00768 -0.00620 0.01512 148 16 C 1S 0.00818 -0.00352 0.00124 -0.00353 0.00047 149 2S -0.02866 0.01407 -0.00314 0.00601 -0.00127 150 2PX -0.07242 0.04435 -0.00523 0.00378 -0.00115 151 2PY -0.08080 0.04130 -0.00135 -0.00468 0.00000 152 2PZ 0.07848 -0.00979 0.00121 -0.00645 0.00936 153 3S -0.00493 0.00382 -0.00148 0.00802 -0.00493 154 3PX -0.03468 0.01598 -0.00298 0.00192 0.00031 155 3PY -0.01945 0.00449 0.00062 -0.00138 -0.00124 156 3PZ 0.03260 -0.00093 0.00024 -0.00254 0.00315 157 4XX -0.00141 0.00067 0.00082 -0.00043 -0.00039 158 4YY 0.00286 0.00133 -0.00031 0.00059 -0.00041 159 4ZZ 0.00052 -0.00353 -0.00026 -0.00055 0.00092 160 4XY -0.00331 0.00350 0.00003 -0.00013 -0.00016 161 4XZ 0.00157 0.00221 -0.00007 0.00006 0.00002 162 4YZ 0.00353 -0.00007 0.00015 0.00010 0.00012 163 17 H 1S 0.02698 -0.01141 -0.00132 0.00672 -0.00234 164 2S 0.03443 -0.01192 -0.00053 0.00420 -0.00191 165 18 C 1S -0.00269 0.00859 0.00036 0.00094 -0.00205 166 2S 0.00983 -0.01781 -0.00085 -0.00196 0.00461 167 2PX -0.00165 0.02933 -0.00727 -0.00090 0.00880 168 2PY -0.01087 -0.01881 -0.00049 0.00078 -0.00047 169 2PZ -0.04178 0.02252 -0.00175 0.00427 -0.00636 170 3S -0.02841 -0.02544 -0.00057 -0.00303 0.00582 171 3PX -0.00724 0.01659 -0.00453 -0.00073 0.00545 172 3PY -0.02261 -0.00101 -0.00022 0.00113 -0.00119 173 3PZ -0.00251 0.01146 -0.00089 0.00202 -0.00254 174 4XX -0.00073 0.00146 0.00003 0.00010 -0.00023 175 4YY 0.00063 -0.00155 -0.00006 0.00006 0.00007 176 4ZZ -0.00126 0.00194 -0.00001 0.00011 -0.00022 177 4XY -0.00039 0.00176 -0.00021 -0.00004 0.00018 178 4XZ 0.00210 -0.00269 0.00029 -0.00015 -0.00002 179 4YZ 0.00439 -0.00115 -0.00003 0.00011 0.00012 180 19 H 1S -0.02232 0.01052 0.00011 0.00096 -0.00257 181 2S -0.03402 0.01961 -0.00053 0.00135 -0.00282 182 20 C 1S -0.00817 -0.00352 0.00124 -0.00352 0.00047 183 2S 0.02864 0.01407 -0.00313 0.00599 -0.00127 184 2PX 0.07244 0.04438 -0.00524 0.00378 -0.00115 185 2PY -0.08070 -0.04128 0.00134 0.00470 -0.00001 186 2PZ -0.07848 -0.00981 0.00120 -0.00644 0.00937 187 3S 0.00492 0.00382 -0.00147 0.00802 -0.00493 188 3PX 0.03468 0.01598 -0.00298 0.00192 0.00031 189 3PY -0.01943 -0.00449 -0.00062 0.00139 0.00124 190 3PZ -0.03260 -0.00094 0.00023 -0.00253 0.00315 191 4XX 0.00142 0.00068 0.00082 -0.00043 -0.00039 192 4YY -0.00286 0.00132 -0.00031 0.00059 -0.00041 193 4ZZ -0.00052 -0.00353 -0.00026 -0.00055 0.00092 194 4XY -0.00331 -0.00350 -0.00003 0.00013 0.00016 195 4XZ -0.00158 0.00221 -0.00007 0.00007 0.00002 196 4YZ 0.00352 0.00007 -0.00015 -0.00010 -0.00012 197 21 H 1S -0.02696 -0.01142 -0.00132 0.00672 -0.00234 198 2S -0.03442 -0.01193 -0.00054 0.00420 -0.00191 199 22 C 1S 0.00269 0.00859 0.00036 0.00094 -0.00205 200 2S -0.00981 -0.01781 -0.00085 -0.00196 0.00461 201 2PX 0.00162 0.02932 -0.00728 -0.00090 0.00880 202 2PY -0.01091 0.01882 0.00048 -0.00078 0.00048 203 2PZ 0.04175 0.02252 -0.00175 0.00427 -0.00636 204 3S 0.02842 -0.02543 -0.00057 -0.00303 0.00582 205 3PX 0.00723 0.01660 -0.00454 -0.00073 0.00545 206 3PY -0.02261 0.00102 0.00022 -0.00113 0.00119 207 3PZ 0.00249 0.01146 -0.00089 0.00202 -0.00254 208 4XX 0.00073 0.00146 0.00003 0.00010 -0.00023 209 4YY -0.00063 -0.00155 -0.00006 0.00006 0.00007 210 4ZZ 0.00126 0.00194 -0.00001 0.00011 -0.00022 211 4XY -0.00039 -0.00176 0.00021 0.00004 -0.00018 212 4XZ -0.00210 -0.00269 0.00029 -0.00015 -0.00002 213 4YZ 0.00439 0.00115 0.00003 -0.00011 -0.00012 214 23 H 1S 0.02231 0.01052 0.00011 0.00096 -0.00257 215 2S 0.03400 0.01962 -0.00052 0.00135 -0.00282 141 142 143 144 145 141 4XY 0.00090 142 4XZ 0.00000 0.00065 143 4YZ -0.00028 0.00000 0.00093 144 14 H 1S 0.00001 0.00848 0.00000 0.21008 145 2S 0.00001 0.00741 0.00000 0.15713 0.14021 146 15 H 1S 0.00000 0.00082 0.00000 -0.02396 -0.04469 147 2S 0.00000 0.00022 0.00000 -0.04396 -0.04355 148 16 C 1S -0.00377 0.00243 0.00390 0.00917 0.01372 149 2S 0.00764 -0.00456 -0.00780 -0.02463 -0.03127 150 2PX -0.00483 0.00033 -0.00831 0.00057 -0.02442 151 2PY 0.00746 -0.00600 -0.00791 -0.01688 -0.03500 152 2PZ -0.00751 -0.00078 -0.00235 0.01761 0.02261 153 3S 0.00714 -0.00389 -0.00690 -0.02690 -0.02698 154 3PX -0.00444 0.00028 -0.00536 -0.00657 -0.01419 155 3PY 0.00167 -0.00200 -0.00273 -0.00455 -0.00819 156 3PZ -0.00585 -0.00009 -0.00203 0.00977 0.00744 157 4XX 0.00008 0.00050 0.00022 0.00754 0.00735 158 4YY -0.00035 -0.00019 0.00041 -0.00194 -0.00319 159 4ZZ -0.00015 0.00006 -0.00011 -0.00195 -0.00093 160 4XY 0.00017 0.00005 -0.00025 0.00360 0.00104 161 4XZ -0.00027 0.00009 0.00014 -0.00187 0.00047 162 4YZ -0.00018 0.00004 0.00005 0.00086 0.00200 163 17 H 1S -0.00168 0.00134 0.00180 -0.00537 -0.00175 164 2S -0.00441 0.00137 0.00304 -0.00065 0.00107 165 18 C 1S -0.00023 0.00046 0.00131 0.00093 -0.00010 166 2S 0.00005 -0.00103 -0.00276 -0.00318 -0.00104 167 2PX -0.00394 -0.00037 -0.00507 -0.03756 -0.02060 168 2PY 0.00089 0.00094 0.00045 0.00223 0.00163 169 2PZ -0.00212 0.00448 0.00416 -0.00625 -0.00298 170 3S 0.00429 0.00097 -0.00166 0.00201 0.00934 171 3PX -0.00284 0.00025 -0.00259 -0.02690 -0.01169 172 3PY 0.00263 0.00033 -0.00040 0.00004 -0.00113 173 3PZ -0.00260 0.00127 -0.00026 -0.00512 -0.00204 174 4XX -0.00013 0.00013 -0.00003 0.00095 0.00047 175 4YY -0.00024 0.00011 0.00039 -0.00008 0.00004 176 4ZZ 0.00039 -0.00030 -0.00018 -0.00144 -0.00164 177 4XY 0.00028 0.00000 0.00030 -0.00117 -0.00060 178 4XZ 0.00011 0.00014 0.00034 0.00091 0.00199 179 4YZ 0.00003 0.00018 -0.00018 0.00041 0.00107 180 19 H 1S 0.00011 0.00062 0.00160 -0.00114 -0.00296 181 2S 0.00117 -0.00023 0.00187 -0.00724 -0.01108 182 20 C 1S 0.00378 0.00243 -0.00390 0.00917 0.01373 183 2S -0.00765 -0.00456 0.00780 -0.02464 -0.03127 184 2PX 0.00482 0.00032 0.00832 0.00056 -0.02444 185 2PY 0.00746 0.00601 -0.00790 0.01687 0.03498 186 2PZ 0.00751 -0.00078 0.00234 0.01761 0.02262 187 3S -0.00715 -0.00390 0.00690 -0.02691 -0.02699 188 3PX 0.00443 0.00027 0.00536 -0.00657 -0.01419 189 3PY 0.00167 0.00200 -0.00272 0.00454 0.00818 190 3PZ 0.00585 -0.00009 0.00203 0.00977 0.00744 191 4XX -0.00008 0.00050 -0.00022 0.00754 0.00735 192 4YY 0.00035 -0.00019 -0.00041 -0.00194 -0.00319 193 4ZZ 0.00015 0.00006 0.00011 -0.00195 -0.00093 194 4XY 0.00017 -0.00005 -0.00025 -0.00359 -0.00103 195 4XZ 0.00027 0.00009 -0.00014 -0.00187 0.00047 196 4YZ -0.00018 -0.00004 0.00005 -0.00087 -0.00200 197 21 H 1S 0.00168 0.00134 -0.00180 -0.00538 -0.00175 198 2S 0.00440 0.00137 -0.00304 -0.00065 0.00107 199 22 C 1S 0.00023 0.00046 -0.00130 0.00093 -0.00010 200 2S -0.00005 -0.00103 0.00276 -0.00318 -0.00104 201 2PX 0.00393 -0.00038 0.00507 -0.03756 -0.02060 202 2PY 0.00089 -0.00094 0.00045 -0.00225 -0.00164 203 2PZ 0.00211 0.00449 -0.00416 -0.00625 -0.00298 204 3S -0.00429 0.00097 0.00166 0.00201 0.00933 205 3PX 0.00284 0.00025 0.00259 -0.02690 -0.01169 206 3PY 0.00263 -0.00033 -0.00040 -0.00006 0.00112 207 3PZ 0.00259 0.00127 0.00026 -0.00512 -0.00204 208 4XX 0.00013 0.00013 0.00003 0.00095 0.00047 209 4YY 0.00024 0.00011 -0.00039 -0.00008 0.00004 210 4ZZ -0.00039 -0.00030 0.00018 -0.00144 -0.00164 211 4XY 0.00028 0.00000 0.00030 0.00117 0.00060 212 4XZ -0.00011 0.00014 -0.00034 0.00091 0.00199 213 4YZ 0.00003 -0.00018 -0.00018 -0.00041 -0.00106 214 23 H 1S -0.00011 0.00063 -0.00160 -0.00114 -0.00297 215 2S -0.00117 -0.00023 -0.00187 -0.00724 -0.01108 146 147 148 149 150 146 15 H 1S 0.21453 147 2S 0.15997 0.14145 148 16 C 1S 0.00792 0.01097 2.05590 149 2S -0.01694 -0.02030 -0.06329 0.33144 150 2PX -0.01897 -0.01341 -0.00145 0.00655 0.31538 151 2PY -0.01545 -0.02756 0.00371 0.00249 0.00021 152 2PZ 0.02686 0.05862 -0.00187 0.00428 -0.03449 153 3S -0.03785 -0.04637 -0.20671 0.31134 -0.03955 154 3PX -0.00584 0.00094 0.00760 -0.00539 0.18697 155 3PY -0.01045 -0.01929 -0.01131 -0.00268 -0.01297 156 3PZ 0.01180 0.01928 0.00377 -0.01378 0.04062 157 4XX -0.00181 -0.00210 -0.01098 -0.01388 -0.00441 158 4YY -0.00247 -0.00361 -0.01913 0.00304 0.00585 159 4ZZ 0.00736 0.00790 -0.01373 -0.00741 -0.00152 160 4XY -0.00104 -0.00175 0.00043 -0.00062 0.00654 161 4XZ -0.00189 0.00066 0.00236 -0.00502 0.00329 162 4YZ -0.00255 0.00032 -0.00163 0.00338 -0.00232 163 17 H 1S -0.00896 -0.00739 -0.06319 0.11911 0.03752 164 2S -0.00672 -0.00711 -0.01549 0.02817 0.04015 165 18 C 1S -0.00814 -0.01159 0.01657 -0.03099 0.01756 166 2S 0.01957 0.02716 -0.03335 0.05696 -0.03339 167 2PX 0.02719 0.07062 -0.00873 0.02167 0.16730 168 2PY -0.00427 -0.00161 0.02729 -0.06162 0.02442 169 2PZ -0.01955 -0.02949 0.07318 -0.14671 0.12743 170 3S 0.03771 0.04766 0.01489 0.00960 -0.05457 171 3PX 0.02107 0.04779 0.00836 -0.00932 0.11300 172 3PY -0.00938 -0.00867 0.00690 -0.01092 0.00528 173 3PZ -0.01149 -0.01368 0.00324 -0.02791 0.06885 174 4XX -0.00112 -0.00126 0.00150 -0.00322 0.00562 175 4YY 0.00094 0.00096 0.00247 -0.00596 0.00241 176 4ZZ -0.00183 -0.00260 -0.00512 0.00943 -0.00454 177 4XY 0.00023 0.00147 0.00109 -0.00186 -0.00260 178 4XZ 0.00131 0.00077 0.00204 -0.00374 -0.00962 179 4YZ 0.00127 0.00198 -0.00382 0.00712 -0.00297 180 19 H 1S -0.00913 -0.01888 0.01287 -0.02707 0.01158 181 2S -0.01636 -0.02359 0.01728 -0.02976 0.02333 182 20 C 1S 0.00792 0.01097 -0.00488 0.00911 -0.00610 183 2S -0.01694 -0.02029 0.00911 -0.02480 0.01323 184 2PX -0.01898 -0.01343 -0.00609 0.01319 -0.10527 185 2PY 0.01544 0.02754 -0.01323 0.03585 0.00042 186 2PZ 0.02687 0.05863 0.00342 -0.00193 -0.03555 187 3S -0.03785 -0.04637 0.02222 -0.03424 0.02564 188 3PX -0.00584 0.00093 -0.00604 0.00915 -0.08736 189 3PY 0.01044 0.01929 -0.01036 0.01534 0.01739 190 3PZ 0.01180 0.01929 -0.00039 0.00557 -0.04921 191 4XX -0.00182 -0.00210 0.00056 -0.00212 -0.00047 192 4YY -0.00247 -0.00361 -0.00298 0.00643 0.00208 193 4ZZ 0.00736 0.00790 0.00081 -0.00217 -0.00169 194 4XY 0.00104 0.00175 -0.00010 0.00079 -0.00199 195 4XZ -0.00189 0.00066 -0.00029 0.00073 0.00095 196 4YZ 0.00254 -0.00032 -0.00040 0.00079 -0.00045 197 21 H 1S -0.00896 -0.00739 -0.00895 0.02099 0.00331 198 2S -0.00672 -0.00711 -0.01124 0.02905 -0.01433 199 22 C 1S -0.00814 -0.01159 -0.00485 0.01201 0.00081 200 2S 0.01957 0.02717 0.01143 -0.02722 -0.00377 201 2PX 0.02719 0.07062 0.00595 -0.00889 -0.00495 202 2PY 0.00430 0.00166 -0.01039 0.03223 -0.01251 203 2PZ -0.01955 -0.02949 -0.00933 0.02208 0.00809 204 3S 0.03771 0.04766 0.00620 -0.03283 0.02316 205 3PX 0.02106 0.04778 0.00048 -0.00090 -0.01543 206 3PY 0.00940 0.00870 -0.00307 0.01513 -0.01915 207 3PZ -0.01149 -0.01368 0.00260 0.00313 -0.01218 208 4XX -0.00112 -0.00126 -0.00010 0.00046 -0.00090 209 4YY 0.00094 0.00096 -0.00149 0.00321 -0.00140 210 4ZZ -0.00183 -0.00260 0.00006 0.00026 0.00172 211 4XY -0.00024 -0.00147 0.00020 -0.00046 -0.00839 212 4XZ 0.00131 0.00077 0.00037 -0.00097 0.00187 213 4YZ -0.00127 -0.00198 -0.00241 0.00511 -0.00475 214 23 H 1S -0.00913 -0.01888 -0.00897 0.02075 -0.00410 215 2S -0.01636 -0.02360 -0.01359 0.02909 0.00056 151 152 153 154 155 151 2PY 0.42636 152 2PZ 0.01290 0.40298 153 3S -0.02363 -0.00878 0.34778 154 3PX -0.01260 0.02040 -0.03015 0.12137 155 3PY 0.13326 0.00871 0.00643 -0.00859 0.05358 156 3PZ -0.00686 0.17278 -0.01841 0.04354 0.00228 157 4XX 0.00349 -0.00536 -0.01164 -0.00305 0.00109 158 4YY -0.01409 -0.01207 0.00568 0.00241 -0.00373 159 4ZZ 0.00580 0.01397 -0.00883 0.00081 0.00123 160 4XY 0.01016 -0.00270 -0.00286 0.00275 0.00209 161 4XZ -0.00318 0.00144 -0.00631 0.00242 -0.00207 162 4YZ -0.00916 0.00964 0.00459 -0.00011 -0.00199 163 17 H 1S -0.25552 -0.06627 0.13243 0.02077 -0.07892 164 2S -0.21193 -0.04175 0.04373 0.02534 -0.05812 165 18 C 1S -0.02188 -0.07270 -0.00805 0.00162 -0.00840 166 2S 0.03992 0.15468 0.03681 -0.00184 0.02300 167 2PX 0.00480 0.15031 -0.03762 0.11260 -0.02603 168 2PY -0.01296 -0.13046 -0.02114 0.00971 0.02050 169 2PZ -0.08646 -0.23910 -0.17112 0.05897 -0.04446 170 3S 0.06965 0.06869 -0.02743 -0.02339 0.01650 171 3PX -0.00678 0.06978 -0.05223 0.07430 -0.02246 172 3PY 0.02189 -0.08372 0.00131 -0.00448 0.01160 173 3PZ -0.03434 -0.03609 -0.03132 0.04118 -0.01118 174 4XX -0.00178 -0.00419 -0.00296 0.00291 -0.00116 175 4YY -0.01057 -0.00786 -0.00534 0.00115 -0.00307 176 4ZZ 0.00880 0.00062 0.00842 -0.00352 0.00213 177 4XY 0.00243 -0.00345 -0.00463 -0.00265 -0.00105 178 4XZ -0.00365 -0.00394 -0.00074 -0.00581 -0.00034 179 4YZ -0.00678 0.00781 0.01032 -0.00103 -0.00179 180 19 H 1S 0.00322 -0.04706 -0.05737 0.00235 -0.00891 181 2S 0.01820 -0.09168 -0.06038 0.00212 -0.00893 182 20 C 1S 0.01323 0.00342 0.02222 -0.00605 0.01036 183 2S -0.03584 -0.00193 -0.03424 0.00918 -0.01534 184 2PX -0.00049 -0.03556 0.02559 -0.08736 -0.01742 185 2PY 0.03906 -0.00361 0.05772 0.00769 0.01076 186 2PZ 0.00361 -0.04359 -0.07155 -0.03730 -0.03048 187 3S -0.05770 -0.07155 -0.02904 0.01719 -0.01193 188 3PX -0.00774 -0.03732 0.01716 -0.06745 -0.01290 189 3PY 0.01075 0.03047 0.01194 0.01288 -0.00363 190 3PZ 0.02649 -0.05373 -0.02179 -0.04347 -0.00754 191 4XX -0.00422 0.00314 -0.00082 0.00036 -0.00057 192 4YY 0.01251 -0.00425 0.00839 0.00066 0.00491 193 4ZZ -0.00449 0.00157 -0.00503 -0.00100 -0.00303 194 4XY 0.00088 -0.00053 0.00171 -0.00033 0.00109 195 4XZ 0.00216 -0.00124 -0.00103 0.00022 -0.00065 196 4YZ 0.00072 0.00037 0.00163 -0.00050 0.00024 197 21 H 1S 0.02900 -0.01433 0.04222 0.00518 0.01186 198 2S 0.05705 -0.03236 0.05015 -0.00967 0.02249 199 22 C 1S 0.01446 0.00751 0.01209 0.00083 0.00361 200 2S -0.03230 -0.02773 -0.03595 -0.00474 -0.01271 201 2PX -0.00549 -0.00855 -0.07508 -0.01891 -0.04422 202 2PY 0.02037 0.03871 0.00507 -0.01456 -0.02448 203 2PZ 0.02272 -0.00027 0.07329 0.00308 0.00982 204 3S -0.11012 0.05768 -0.03218 0.02434 -0.03481 205 3PX 0.00140 0.00571 -0.03714 -0.01856 -0.02622 206 3PY 0.03796 -0.00599 0.00012 -0.01733 -0.00098 207 3PZ 0.01495 -0.05753 0.01442 -0.01579 0.00073 208 4XX 0.00009 -0.00150 0.00074 -0.00101 -0.00046 209 4YY 0.00444 0.00452 0.00463 -0.00016 0.00253 210 4ZZ 0.00040 0.00096 -0.00041 0.00088 -0.00029 211 4XY -0.00070 -0.00645 0.00128 -0.00569 0.00060 212 4XZ -0.00094 0.00090 -0.00029 0.00226 0.00098 213 4YZ 0.00554 0.00782 0.00811 -0.00257 0.00283 214 23 H 1S 0.01551 0.02823 0.04451 -0.00256 0.00314 215 2S 0.02822 0.06260 0.05035 0.00331 0.00884 156 157 158 159 160 156 3PZ 0.09384 157 4XX -0.00264 0.00124 158 4YY -0.00336 -0.00036 0.00176 159 4ZZ 0.00524 0.00024 -0.00089 0.00137 160 4XY -0.00053 0.00019 -0.00023 0.00005 0.00058 161 4XZ 0.00146 0.00012 -0.00001 0.00019 0.00000 162 4YZ 0.00318 -0.00035 0.00020 0.00000 -0.00043 163 17 H 1S -0.02011 -0.00726 0.01364 -0.00887 -0.00565 164 2S -0.00186 -0.00432 0.01181 -0.00639 -0.00496 165 18 C 1S -0.01382 0.00228 0.00284 -0.00567 0.00077 166 2S 0.04138 -0.00497 -0.00623 0.01026 -0.00169 167 2PX 0.08808 -0.00575 -0.00309 0.00769 0.00297 168 2PY -0.05884 0.00165 0.00950 -0.00652 -0.00226 169 2PZ -0.08056 0.00688 0.00628 -0.00120 0.00354 170 3S -0.01123 0.00034 -0.00996 0.01086 0.00024 171 3PX 0.04682 -0.00239 -0.00190 0.00522 0.00201 172 3PY -0.04185 0.00158 0.00245 -0.00328 0.00033 173 3PZ 0.00108 0.00017 0.00254 0.00038 0.00088 174 4XX 0.00014 0.00020 0.00019 -0.00031 0.00017 175 4YY -0.00283 0.00009 0.00075 -0.00032 -0.00024 176 4ZZ -0.00085 -0.00018 -0.00037 -0.00002 0.00020 177 4XY -0.00320 0.00017 -0.00020 0.00025 0.00018 178 4XZ -0.00281 0.00036 0.00007 -0.00024 -0.00030 179 4YZ 0.00345 -0.00033 0.00002 -0.00014 -0.00027 180 19 H 1S -0.02465 0.00193 -0.00239 0.00408 0.00202 181 2S -0.04025 0.00267 -0.00061 0.00077 0.00290 182 20 C 1S -0.00040 0.00056 -0.00298 0.00081 0.00010 183 2S 0.00558 -0.00212 0.00643 -0.00217 -0.00079 184 2PX -0.04919 -0.00047 0.00209 -0.00169 0.00199 185 2PY -0.02650 0.00422 -0.01251 0.00449 0.00090 186 2PZ -0.05374 0.00314 -0.00425 0.00157 0.00054 187 3S -0.02179 -0.00082 0.00839 -0.00503 -0.00171 188 3PX -0.04347 0.00036 0.00066 -0.00100 0.00033 189 3PY 0.00752 0.00057 -0.00491 0.00303 0.00110 190 3PZ -0.04816 0.00235 -0.00254 0.00017 0.00106 191 4XX 0.00235 0.00036 -0.00017 0.00001 -0.00004 192 4YY -0.00254 -0.00017 -0.00011 -0.00018 0.00031 193 4ZZ 0.00017 0.00001 -0.00018 0.00039 -0.00013 194 4XY -0.00106 0.00004 -0.00031 0.00013 -0.00024 195 4XZ -0.00128 0.00010 -0.00031 0.00021 0.00012 196 4YZ 0.00196 -0.00011 0.00011 -0.00003 0.00011 197 21 H 1S -0.01864 0.00094 -0.00372 0.00075 0.00062 198 2S -0.03100 0.00138 -0.00413 0.00011 0.00083 199 22 C 1S 0.00513 0.00022 -0.00140 0.00018 0.00086 200 2S -0.01855 -0.00013 0.00345 -0.00031 -0.00200 201 2PX -0.03183 -0.00034 -0.00210 0.00512 0.00228 202 2PY 0.02741 0.00131 -0.00673 0.00100 0.00302 203 2PZ 0.01263 0.00033 -0.00311 0.00097 0.00235 204 3S 0.03727 -0.00176 0.00374 0.00141 -0.00357 205 3PX -0.01549 -0.00005 -0.00266 0.00406 0.00134 206 3PY -0.00780 0.00141 -0.00410 0.00098 0.00155 207 3PZ -0.02868 0.00132 -0.00012 -0.00102 0.00118 208 4XX -0.00080 0.00011 -0.00010 -0.00008 0.00013 209 4YY 0.00062 -0.00013 -0.00042 0.00036 -0.00002 210 4ZZ 0.00226 -0.00011 0.00020 -0.00020 0.00007 211 4XY -0.00473 0.00023 0.00009 -0.00027 -0.00016 212 4XZ 0.00113 0.00011 -0.00014 0.00010 -0.00014 213 4YZ 0.00379 -0.00029 -0.00009 -0.00009 -0.00003 214 23 H 1S 0.02618 -0.00034 -0.00194 -0.00019 0.00097 215 2S 0.04212 -0.00162 -0.00216 0.00042 0.00124 161 162 163 164 165 161 4XZ 0.00073 162 4YZ 0.00007 0.00098 163 17 H 1S -0.00009 0.00598 0.21366 164 2S 0.00057 0.00524 0.15464 0.13511 165 18 C 1S 0.00187 -0.00340 0.01213 0.01191 2.05355 166 2S -0.00351 0.00685 -0.02455 -0.02093 -0.06412 167 2PX 0.01148 0.00394 -0.00532 -0.01104 -0.00138 168 2PY 0.00104 0.00835 0.03113 0.05959 0.00025 169 2PZ 0.00422 -0.00921 0.03317 0.04478 -0.00207 170 3S -0.00253 0.00257 -0.06097 -0.06040 -0.16688 171 3PX 0.00821 0.00115 -0.00426 -0.00530 0.00107 172 3PY -0.00037 0.00115 0.00120 0.00470 0.00347 173 3PZ 0.00233 -0.00149 0.02121 0.02507 -0.00652 174 4XX 0.00022 -0.00030 0.00072 0.00094 -0.01193 175 4YY 0.00011 0.00026 0.00617 0.00690 -0.01738 176 4ZZ -0.00028 -0.00047 -0.00299 -0.00534 -0.01814 177 4XY 0.00028 -0.00020 -0.00252 -0.00298 -0.00124 178 4XZ 0.00001 0.00011 0.00064 0.00102 0.00282 179 4YZ 0.00021 0.00055 0.00543 0.00283 0.00254 180 19 H 1S -0.00209 -0.00622 -0.01575 -0.01677 -0.06265 181 2S -0.00130 -0.00747 -0.01721 -0.01946 -0.01329 182 20 C 1S -0.00029 0.00040 -0.00895 -0.01124 -0.00485 183 2S 0.00073 -0.00078 0.02099 0.02905 0.01201 184 2PX 0.00095 0.00046 0.00334 -0.01429 0.00082 185 2PY -0.00216 0.00072 -0.02899 -0.05705 -0.01446 186 2PZ -0.00124 -0.00037 -0.01433 -0.03237 0.00750 187 3S -0.00102 -0.00162 0.04223 0.05015 0.01209 188 3PX 0.00022 0.00050 0.00520 -0.00965 0.00083 189 3PY 0.00065 0.00024 -0.01185 -0.02248 -0.00361 190 3PZ -0.00128 -0.00196 -0.01864 -0.03101 0.00513 191 4XX 0.00010 0.00011 0.00094 0.00138 0.00022 192 4YY -0.00031 -0.00011 -0.00372 -0.00413 -0.00140 193 4ZZ 0.00021 0.00003 0.00075 0.00011 0.00018 194 4XY -0.00012 0.00011 -0.00062 -0.00082 -0.00085 195 4XZ 0.00048 -0.00002 -0.00144 -0.00250 -0.00012 196 4YZ 0.00002 -0.00050 -0.00040 -0.00044 0.00215 197 21 H 1S -0.00144 0.00040 -0.01145 -0.02282 -0.00879 198 2S -0.00250 0.00044 -0.02282 -0.03280 -0.01198 199 22 C 1S -0.00012 -0.00215 -0.00879 -0.01198 0.01683 200 2S -0.00007 0.00429 0.01970 0.02544 -0.03329 201 2PX 0.00919 0.00079 -0.00913 -0.02884 -0.00202 202 2PY 0.00050 -0.01003 -0.03143 -0.06051 0.07815 203 2PZ 0.00338 -0.00170 -0.00870 -0.02241 -0.00470 204 3S 0.00297 0.00647 0.05355 0.05854 -0.00217 205 3PX 0.00639 0.00031 -0.01132 -0.02584 -0.00268 206 3PY -0.00062 -0.00395 -0.02845 -0.04016 0.01170 207 3PZ 0.00150 -0.00164 -0.00297 -0.01150 0.00023 208 4XX 0.00004 -0.00024 -0.00023 -0.00100 0.00213 209 4YY -0.00020 0.00035 -0.00203 -0.00197 -0.00701 210 4ZZ 0.00004 -0.00043 -0.00023 -0.00006 0.00325 211 4XY -0.00047 -0.00007 0.00051 0.00037 -0.00002 212 4XZ -0.00005 0.00008 0.00020 0.00097 -0.00054 213 4YZ -0.00012 0.00017 -0.00222 -0.00211 0.00025 214 23 H 1S 0.00023 -0.00235 -0.01000 -0.01895 0.01278 215 2S 0.00041 -0.00212 -0.01718 -0.02273 0.01418 166 167 168 169 170 166 2S 0.33134 167 2PX 0.00479 0.34559 168 2PY 0.00331 -0.00296 0.41954 169 2PZ -0.00493 -0.03448 -0.00856 0.40627 170 3S 0.25603 -0.01048 -0.00888 0.05249 0.27305 171 3PX -0.00298 0.21780 -0.00996 0.02363 -0.00206 172 3PY -0.01855 -0.01863 0.13629 0.00933 -0.00011 173 3PZ 0.02690 0.02984 -0.00159 0.11707 0.01518 174 4XX -0.01398 0.00288 -0.00191 0.00174 -0.01043 175 4YY -0.00239 -0.00199 0.01285 0.00773 -0.00158 176 4ZZ -0.00116 -0.00398 -0.01516 -0.00416 0.00069 177 4XY 0.00219 0.00355 -0.00286 0.00719 0.00612 178 4XZ -0.00611 -0.00578 0.00646 -0.00379 -0.00392 179 4YZ -0.00474 0.00782 0.00405 -0.01408 -0.00748 180 19 H 1S 0.11706 -0.07939 -0.15429 0.20129 0.13195 181 2S 0.02370 -0.07029 -0.12885 0.17552 0.05962 182 20 C 1S 0.01143 0.00594 0.01039 -0.00933 0.00620 183 2S -0.02722 -0.00887 -0.03224 0.02208 -0.03282 184 2PX -0.00379 -0.00496 0.01250 0.00811 0.02308 185 2PY 0.03231 0.00547 0.02039 -0.02271 0.11013 186 2PZ -0.02773 -0.00854 -0.03872 -0.00028 0.05771 187 3S -0.03595 -0.07506 -0.00513 0.07328 -0.03218 188 3PX -0.00475 -0.01895 0.01455 0.00309 0.02431 189 3PY 0.01271 0.04424 -0.02442 -0.00982 0.03482 190 3PZ -0.01855 -0.03181 -0.02744 0.01262 0.03728 191 4XX -0.00014 -0.00033 -0.00131 0.00033 -0.00176 192 4YY 0.00345 -0.00211 0.00673 -0.00311 0.00375 193 4ZZ -0.00031 0.00512 -0.00100 0.00097 0.00141 194 4XY 0.00199 -0.00228 0.00301 -0.00235 0.00356 195 4XZ -0.00006 0.00919 -0.00048 0.00338 0.00297 196 4YZ -0.00428 -0.00078 -0.01003 0.00170 -0.00647 197 21 H 1S 0.01970 -0.00916 0.03142 -0.00870 0.05356 198 2S 0.02544 -0.02889 0.06049 -0.02241 0.05855 199 22 C 1S -0.03329 -0.00197 -0.07815 -0.00471 -0.00217 200 2S 0.05779 -0.00385 0.16106 0.01445 0.03532 201 2PX -0.00376 0.19923 -0.00847 0.05886 0.06927 202 2PY -0.16107 0.00878 -0.31832 -0.02245 -0.12014 203 2PZ 0.01442 0.05884 0.02243 0.03989 -0.01786 204 3S 0.03532 0.06921 0.12020 -0.01783 -0.01993 205 3PX 0.00241 0.13633 -0.01425 0.03197 0.04537 206 3PY -0.04008 -0.00858 -0.09528 -0.00470 -0.00927 207 3PZ -0.00886 0.00623 0.03053 0.04612 0.00379 208 4XX -0.00488 -0.00026 -0.00678 0.00114 -0.00238 209 4YY 0.01258 0.00018 0.00646 -0.00270 0.01062 210 4ZZ -0.00751 -0.00097 -0.01183 -0.00012 -0.00906 211 4XY 0.00004 -0.01358 0.00083 0.00038 0.00252 212 4XZ 0.00151 -0.00078 0.00182 -0.00038 0.00130 213 4YZ -0.00001 0.00001 0.00126 -0.01309 -0.00595 214 23 H 1S -0.02602 0.00338 -0.04438 -0.01973 -0.06124 215 2S -0.02437 0.01945 -0.07835 -0.04378 -0.06426 171 172 173 174 175 171 3PX 0.14491 172 3PY -0.01388 0.05521 173 3PZ 0.03059 -0.00519 0.05201 174 4XX 0.00211 0.00000 0.00010 0.00081 175 4YY -0.00035 0.00349 0.00162 0.00014 0.00114 176 4ZZ -0.00282 -0.00373 -0.00182 0.00013 -0.00058 177 4XY 0.00320 0.00001 0.00114 -0.00014 -0.00004 178 4XZ -0.00371 0.00240 -0.00265 0.00009 0.00022 179 4YZ 0.00314 0.00042 -0.00266 0.00021 -0.00011 180 19 H 1S -0.02734 -0.04525 0.05712 -0.00407 -0.00137 181 2S -0.02335 -0.02892 0.03768 -0.00068 -0.00079 182 20 C 1S 0.00048 0.00307 0.00260 -0.00010 -0.00149 183 2S -0.00088 -0.01513 0.00313 0.00046 0.00321 184 2PX -0.01544 0.01912 -0.01217 -0.00091 -0.00139 185 2PY -0.00143 0.03797 -0.01494 -0.00009 -0.00444 186 2PZ 0.00571 0.00602 -0.05754 -0.00151 0.00453 187 3S -0.03713 -0.00015 0.01443 0.00074 0.00463 188 3PX -0.01859 0.01732 -0.01578 -0.00101 -0.00015 189 3PY 0.02621 -0.00095 -0.00074 0.00046 -0.00253 190 3PZ -0.01549 0.00780 -0.02868 -0.00080 0.00063 191 4XX -0.00005 -0.00141 0.00132 0.00011 -0.00013 192 4YY -0.00266 0.00410 -0.00012 -0.00010 -0.00042 193 4ZZ 0.00406 -0.00098 -0.00102 -0.00008 0.00036 194 4XY -0.00134 0.00155 -0.00118 -0.00013 0.00002 195 4XZ 0.00639 0.00063 0.00149 0.00004 -0.00020 196 4YZ -0.00031 -0.00394 0.00164 0.00024 -0.00035 197 21 H 1S -0.01135 0.02844 -0.00297 -0.00023 -0.00203 198 2S -0.02588 0.04014 -0.01150 -0.00100 -0.00197 199 22 C 1S -0.00268 -0.01171 0.00023 0.00213 -0.00701 200 2S 0.00239 0.04009 -0.00886 -0.00488 0.01258 201 2PX 0.13632 0.00872 0.00626 -0.00028 0.00020 202 2PY 0.01439 -0.09525 -0.03056 0.00678 -0.00646 203 2PZ 0.03196 0.00469 0.04612 0.00114 -0.00270 204 3S 0.04537 0.00930 0.00380 -0.00238 0.01061 205 3PX 0.09276 0.00144 0.00696 -0.00029 -0.00079 206 3PY -0.00137 -0.02146 -0.01712 0.00123 -0.00208 207 3PZ 0.00694 0.01711 0.01442 0.00013 0.00074 208 4XX -0.00028 -0.00123 0.00013 0.00029 -0.00045 209 4YY -0.00080 0.00208 0.00074 -0.00045 -0.00018 210 4ZZ -0.00010 -0.00446 -0.00004 0.00031 -0.00012 211 4XY -0.00868 0.00153 -0.00219 -0.00015 0.00004 212 4XZ -0.00024 0.00032 0.00081 0.00001 -0.00011 213 4YZ -0.00180 -0.00087 -0.00261 -0.00005 -0.00019 214 23 H 1S -0.00042 -0.02322 0.00247 0.00108 0.00058 215 2S 0.00527 -0.03486 0.00208 0.00174 -0.00295 176 177 178 179 180 176 4ZZ 0.00117 177 4XY 0.00013 0.00072 178 4XZ -0.00020 -0.00007 0.00063 179 4YZ -0.00016 -0.00034 0.00032 0.00146 180 19 H 1S 0.00482 0.00525 -0.00571 -0.01296 0.21460 181 2S 0.00468 0.00483 -0.00392 -0.01150 0.16043 182 20 C 1S 0.00007 -0.00020 0.00036 0.00241 -0.00897 183 2S 0.00026 0.00046 -0.00096 -0.00511 0.02075 184 2PX 0.00172 0.00839 0.00187 0.00474 -0.00409 185 2PY -0.00040 -0.00069 0.00093 0.00554 -0.01552 186 2PZ 0.00095 0.00644 0.00091 -0.00782 0.02822 187 3S -0.00041 -0.00128 -0.00028 -0.00811 0.04450 188 3PX 0.00088 0.00569 0.00226 0.00257 -0.00255 189 3PY 0.00029 0.00061 -0.00098 0.00283 -0.00315 190 3PZ 0.00226 0.00473 0.00113 -0.00379 0.02618 191 4XX -0.00011 -0.00023 0.00011 0.00029 -0.00034 192 4YY 0.00020 -0.00009 -0.00014 0.00009 -0.00194 193 4ZZ -0.00020 0.00027 0.00010 0.00009 -0.00019 194 4XY -0.00007 -0.00016 0.00014 -0.00003 -0.00096 195 4XZ 0.00004 0.00047 -0.00005 0.00012 0.00023 196 4YZ 0.00043 -0.00007 -0.00008 0.00017 0.00235 197 21 H 1S -0.00023 -0.00051 0.00019 0.00222 -0.01000 198 2S -0.00005 -0.00037 0.00097 0.00211 -0.01895 199 22 C 1S 0.00325 0.00002 -0.00054 -0.00026 0.01278 200 2S -0.00751 -0.00005 0.00151 0.00001 -0.02602 201 2PX -0.00098 0.01358 -0.00078 -0.00001 0.00335 202 2PY 0.01183 0.00085 -0.00182 0.00126 0.04439 203 2PZ -0.00011 -0.00038 -0.00038 0.01309 -0.01972 204 3S -0.00906 -0.00253 0.00130 0.00596 -0.06124 205 3PX -0.00010 0.00868 -0.00024 0.00179 -0.00044 206 3PY 0.00446 0.00154 -0.00032 -0.00087 0.02322 207 3PZ -0.00004 0.00219 0.00081 0.00261 0.00247 208 4XX 0.00031 0.00015 0.00001 0.00006 0.00108 209 4YY -0.00012 -0.00004 -0.00011 0.00019 0.00059 210 4ZZ 0.00047 -0.00015 -0.00014 -0.00020 0.00191 211 4XY 0.00015 0.00001 0.00029 -0.00039 0.00279 212 4XZ -0.00014 -0.00029 0.00005 -0.00011 -0.00032 213 4YZ 0.00020 -0.00039 0.00010 0.00085 -0.00742 214 23 H 1S 0.00191 -0.00279 -0.00033 0.00742 -0.01557 215 2S 0.00346 -0.00276 -0.00127 0.00699 -0.01615 181 182 183 184 185 181 2S 0.14179 182 20 C 1S -0.01359 2.05590 183 2S 0.02908 -0.06329 0.33143 184 2PX 0.00058 -0.00144 0.00655 0.31539 185 2PY -0.02824 -0.00371 -0.00249 -0.00026 0.42636 186 2PZ 0.06260 -0.00188 0.00428 -0.03448 -0.01291 187 3S 0.05035 -0.20672 0.31134 -0.03956 0.02360 188 3PX 0.00332 0.00760 -0.00540 0.18696 0.01261 189 3PY -0.00884 0.01132 0.00267 0.01298 0.13327 190 3PZ 0.04212 0.00377 -0.01379 0.04062 0.00687 191 4XX -0.00162 -0.01098 -0.01388 -0.00440 -0.00350 192 4YY -0.00216 -0.01913 0.00304 0.00584 0.01411 193 4ZZ 0.00042 -0.01373 -0.00742 -0.00152 -0.00581 194 4XY -0.00124 -0.00043 0.00062 -0.00655 0.01015 195 4XZ 0.00041 0.00236 -0.00502 0.00329 0.00318 196 4YZ 0.00212 0.00163 -0.00338 0.00233 -0.00915 197 21 H 1S -0.01718 -0.06319 0.11911 0.03741 0.25555 198 2S -0.02273 -0.01549 0.02817 0.04005 0.21198 199 22 C 1S 0.01418 0.01657 -0.03100 0.01755 0.02191 200 2S -0.02437 -0.03335 0.05697 -0.03336 -0.03998 201 2PX 0.01940 -0.00870 0.02162 0.16732 -0.00474 202 2PY 0.07838 -0.02731 0.06166 -0.02432 -0.01302 203 2PZ -0.04377 0.07318 -0.14671 0.12735 0.08658 204 3S -0.06426 0.01490 0.00960 -0.05454 -0.06970 205 3PX 0.00525 0.00837 -0.00933 0.11299 0.00680 206 3PY 0.03486 -0.00690 0.01092 -0.00524 0.02187 207 3PZ 0.00209 0.00324 -0.02791 0.06883 0.03439 208 4XX 0.00173 0.00151 -0.00323 0.00562 0.00178 209 4YY -0.00294 0.00247 -0.00595 0.00241 0.01058 210 4ZZ 0.00345 -0.00512 0.00943 -0.00454 -0.00880 211 4XY 0.00276 -0.00109 0.00186 0.00260 0.00242 212 4XZ -0.00127 0.00204 -0.00373 -0.00962 0.00365 213 4YZ -0.00699 0.00382 -0.00713 0.00297 -0.00677 214 23 H 1S -0.01615 0.01288 -0.02707 0.01158 -0.00320 215 2S -0.01856 0.01728 -0.02976 0.02333 -0.01817 186 187 188 189 190 186 2PZ 0.40298 187 3S -0.00879 0.34779 188 3PX 0.02042 -0.03015 0.12136 189 3PY -0.00871 -0.00645 0.00861 0.05359 190 3PZ 0.17278 -0.01842 0.04354 -0.00227 0.09384 191 4XX -0.00536 -0.01164 -0.00305 -0.00110 -0.00264 192 4YY -0.01206 0.00568 0.00241 0.00374 -0.00336 193 4ZZ 0.01397 -0.00883 0.00081 -0.00123 0.00524 194 4XY 0.00270 0.00286 -0.00276 0.00209 0.00053 195 4XZ 0.00145 -0.00630 0.00242 0.00207 0.00147 196 4YZ -0.00965 -0.00458 0.00011 -0.00199 -0.00318 197 21 H 1S -0.06620 0.13243 0.02073 0.07893 -0.02008 198 2S -0.04170 0.04374 0.02531 0.05814 -0.00184 199 22 C 1S -0.07270 -0.00805 0.00162 0.00840 -0.01382 200 2S 0.15469 0.03681 -0.00182 -0.02301 0.04138 201 2PX 0.15022 -0.03765 0.11260 0.02606 0.08805 202 2PY 0.13060 0.02115 -0.00965 0.02048 0.05892 203 2PZ -0.23907 -0.17111 0.05893 0.04451 -0.08054 204 3S 0.06868 -0.02744 -0.02338 -0.01650 -0.01123 205 3PX 0.06973 -0.05224 0.07428 0.02247 0.04680 206 3PY 0.08378 -0.00134 0.00451 0.01160 0.04188 207 3PZ -0.03606 -0.03131 0.04118 0.01120 0.00110 208 4XX -0.00419 -0.00297 0.00291 0.00116 0.00013 209 4YY -0.00785 -0.00533 0.00115 0.00307 -0.00282 210 4ZZ 0.00061 0.00842 -0.00352 -0.00214 -0.00086 211 4XY 0.00345 0.00463 0.00266 -0.00105 0.00320 212 4XZ -0.00393 -0.00073 -0.00581 0.00033 -0.00281 213 4YZ -0.00781 -0.01033 0.00103 -0.00178 -0.00345 214 23 H 1S -0.04706 -0.05737 0.00234 0.00891 -0.02464 215 2S -0.09168 -0.06038 0.00211 0.00893 -0.04025 191 192 193 194 195 191 4XX 0.00124 192 4YY -0.00036 0.00176 193 4ZZ 0.00024 -0.00089 0.00137 194 4XY -0.00019 0.00023 -0.00005 0.00058 195 4XZ 0.00012 0.00000 0.00019 0.00000 0.00073 196 4YZ 0.00035 -0.00020 0.00000 -0.00043 -0.00007 197 21 H 1S -0.00726 0.01364 -0.00887 0.00564 -0.00008 198 2S -0.00433 0.01181 -0.00640 0.00496 0.00057 199 22 C 1S 0.00228 0.00284 -0.00567 -0.00077 0.00186 200 2S -0.00497 -0.00623 0.01025 0.00169 -0.00351 201 2PX -0.00574 -0.00309 0.00768 -0.00297 0.01149 202 2PY -0.00165 -0.00951 0.00653 -0.00226 -0.00104 203 2PZ 0.00688 0.00627 -0.00120 -0.00354 0.00421 204 3S 0.00034 -0.00996 0.01086 -0.00024 -0.00253 205 3PX -0.00239 -0.00190 0.00521 -0.00202 0.00821 206 3PY -0.00159 -0.00245 0.00328 0.00033 0.00037 207 3PZ 0.00017 0.00254 0.00038 -0.00088 0.00233 208 4XX 0.00020 0.00019 -0.00031 -0.00017 0.00022 209 4YY 0.00008 0.00075 -0.00032 0.00024 0.00011 210 4ZZ -0.00018 -0.00037 -0.00002 -0.00020 -0.00028 211 4XY -0.00017 0.00020 -0.00025 0.00018 -0.00027 212 4XZ 0.00036 0.00007 -0.00024 0.00030 0.00001 213 4YZ 0.00033 -0.00002 0.00014 -0.00027 -0.00021 214 23 H 1S 0.00193 -0.00239 0.00408 -0.00201 -0.00209 215 2S 0.00267 -0.00062 0.00077 -0.00290 -0.00131 196 197 198 199 200 196 4YZ 0.00098 197 21 H 1S -0.00597 0.21366 198 2S -0.00523 0.15465 0.13512 199 22 C 1S 0.00341 0.01213 0.01192 2.05355 200 2S -0.00686 -0.02455 -0.02093 -0.06412 0.33134 201 2PX -0.00394 -0.00530 -0.01101 -0.00138 0.00479 202 2PY 0.00834 -0.03114 -0.05960 -0.00025 -0.00330 203 2PZ 0.00922 0.03316 0.04477 -0.00207 -0.00494 204 3S -0.00258 -0.06098 -0.06040 -0.16688 0.25603 205 3PX -0.00115 -0.00426 -0.00531 0.00107 -0.00299 206 3PY 0.00115 -0.00121 -0.00471 -0.00347 0.01855 207 3PZ 0.00150 0.02121 0.02507 -0.00653 0.02690 208 4XX 0.00030 0.00072 0.00094 -0.01193 -0.01397 209 4YY -0.00026 0.00617 0.00691 -0.01738 -0.00239 210 4ZZ 0.00047 -0.00299 -0.00534 -0.01815 -0.00115 211 4XY -0.00020 0.00251 0.00298 0.00125 -0.00220 212 4XZ -0.00011 0.00064 0.00103 0.00283 -0.00611 213 4YZ 0.00055 -0.00543 -0.00282 -0.00254 0.00474 214 23 H 1S 0.00621 -0.01576 -0.01677 -0.06265 0.11706 215 2S 0.00747 -0.01722 -0.01946 -0.01329 0.02370 201 202 203 204 205 201 2PX 0.34558 202 2PY 0.00293 0.41954 203 2PZ -0.03449 0.00854 0.40628 204 3S -0.01048 0.00884 0.05250 0.27304 205 3PX 0.21778 0.01001 0.02363 -0.00206 0.14489 206 3PY 0.01867 0.13632 -0.00932 0.00011 0.01393 207 3PZ 0.02984 0.00162 0.11706 0.01518 0.03059 208 4XX 0.00288 0.00192 0.00175 -0.01043 0.00211 209 4YY -0.00199 -0.01286 0.00772 -0.00158 -0.00035 210 4ZZ -0.00399 0.01516 -0.00415 0.00069 -0.00283 211 4XY -0.00354 -0.00285 -0.00720 -0.00613 -0.00320 212 4XZ -0.00577 -0.00646 -0.00380 -0.00393 -0.00371 213 4YZ -0.00782 0.00404 0.01409 0.00748 -0.00314 214 23 H 1S -0.07948 0.15420 0.20132 0.13194 -0.02736 215 2S -0.07037 0.12877 0.17555 0.05961 -0.02337 206 207 208 209 210 206 3PY 0.05524 207 3PZ 0.00522 0.05201 208 4XX 0.00000 0.00010 0.00081 209 4YY -0.00349 0.00161 0.00014 0.00114 210 4ZZ 0.00373 -0.00181 0.00013 -0.00058 0.00117 211 4XY 0.00001 -0.00114 0.00014 0.00004 -0.00013 212 4XZ -0.00240 -0.00265 0.00009 0.00022 -0.00020 213 4YZ 0.00041 0.00266 -0.00021 0.00011 0.00016 214 23 H 1S 0.04523 0.05713 -0.00406 -0.00138 0.00482 215 2S 0.02890 0.03768 -0.00067 -0.00079 0.00468 211 212 213 214 215 211 4XY 0.00072 212 4XZ 0.00007 0.00063 213 4YZ -0.00034 -0.00032 0.00146 214 23 H 1S -0.00525 -0.00572 0.01295 0.21460 215 2S -0.00483 -0.00393 0.01150 0.16043 0.14180 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05475 2 2S -0.01447 0.33271 3 2PX 0.00000 0.00000 0.36085 4 2PY 0.00000 0.00000 0.00000 0.44126 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.37300 6 3S -0.03653 0.25913 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10876 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.06837 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.10538 10 4XX -0.00118 -0.00616 0.00000 0.00000 0.00000 11 4YY -0.00144 -0.00041 0.00000 0.00000 0.00000 12 4ZZ -0.00126 -0.00467 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00028 -0.00050 -0.00046 -0.00073 17 2S -0.00026 0.00716 0.00950 0.00909 0.01367 18 2PX -0.00049 0.00885 0.00117 0.00881 0.01916 19 2PY -0.00043 0.00703 0.00852 0.00174 0.01407 20 2PZ -0.00073 0.01361 0.01985 0.01421 0.00750 21 3S 0.00008 0.00629 0.00958 0.00840 0.01502 22 3PX 0.00026 -0.00061 0.00159 0.00158 0.00299 23 3PY -0.00016 0.00444 0.00363 0.00201 0.00641 24 3PZ 0.00020 0.00121 0.00433 0.00187 0.00008 25 4XX 0.00000 -0.00002 -0.00035 0.00019 0.00008 26 4YY 0.00001 -0.00023 -0.00010 -0.00042 -0.00019 27 4ZZ -0.00003 0.00060 0.00073 0.00095 -0.00054 28 4XY -0.00006 0.00101 0.00013 0.00020 0.00179 29 4XZ -0.00005 0.00074 -0.00007 0.00076 0.00015 30 4YZ -0.00008 0.00129 0.00161 0.00021 0.00059 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00007 -0.00014 0.00000 -0.00015 33 2PX 0.00000 -0.00016 -0.00015 0.00000 -0.00036 34 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 35 2PZ 0.00000 -0.00014 -0.00029 0.00000 -0.00020 36 3S 0.00013 -0.00287 -0.00384 -0.00003 -0.00384 37 3PX 0.00012 -0.00238 -0.00151 -0.00001 -0.00359 38 3PY 0.00000 0.00001 0.00004 -0.00041 0.00004 39 3PZ 0.00009 -0.00163 -0.00210 -0.00001 -0.00144 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00001 0.00003 0.00000 0.00001 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00002 0.00000 0.00002 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 48 2PX 0.00000 -0.00001 0.00001 -0.00001 -0.00003 49 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 50 2PZ 0.00000 0.00000 -0.00002 -0.00001 0.00001 51 3S 0.00000 0.00019 -0.00004 -0.00013 -0.00004 52 3PX 0.00002 -0.00041 0.00024 -0.00019 -0.00056 53 3PY 0.00000 0.00002 0.00019 -0.00009 -0.00015 54 3PZ 0.00001 -0.00002 -0.00003 -0.00022 0.00022 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00006 -0.00002 -0.00025 -0.00003 63 2PX 0.00000 -0.00004 -0.00001 -0.00009 0.00001 64 2PY 0.00000 -0.00016 -0.00006 -0.00044 -0.00003 65 2PZ 0.00000 -0.00006 0.00001 -0.00018 -0.00003 66 3S 0.00001 -0.00076 -0.00082 -0.00264 -0.00074 67 3PX 0.00002 -0.00036 0.00020 -0.00051 -0.00032 68 3PY -0.00015 0.00164 -0.00036 0.00265 -0.00009 69 3PZ 0.00000 -0.00018 -0.00029 -0.00039 0.00006 70 4XX 0.00000 0.00000 0.00000 -0.00001 0.00001 71 4YY 0.00000 0.00002 0.00000 0.00009 0.00001 72 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 73 4XY 0.00000 0.00000 -0.00001 0.00001 0.00002 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00002 0.00001 -0.00001 76 6 C 1S 0.00000 -0.00076 0.00000 -0.00366 0.00000 77 2S -0.00076 0.01418 0.00000 0.04863 0.00000 78 2PX 0.00000 0.00000 0.02111 0.00000 0.00000 79 2PY -0.00366 0.04863 0.00000 0.10806 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.01698 81 3S 0.00141 -0.00485 0.00000 0.03376 0.00000 82 3PX 0.00000 0.00000 0.02884 0.00000 0.00000 83 3PY -0.00039 0.01071 0.00000 0.01596 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.02320 85 4XX 0.00000 -0.00055 0.00000 -0.00136 0.00000 86 4YY -0.00031 0.00347 0.00000 0.00224 0.00000 87 4ZZ 0.00000 -0.00059 0.00000 -0.00143 0.00000 88 4XY 0.00000 0.00000 0.00253 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00257 91 7 H 1S -0.00203 0.03238 0.03256 0.02847 0.03885 92 2S -0.00099 0.01091 0.02043 0.01520 0.02409 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00012 0.00021 0.00003 0.00020 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 -0.00001 0.00001 0.00000 -0.00002 97 10 H 1S 0.00000 -0.00021 -0.00005 -0.00064 -0.00008 98 2S 0.00021 -0.00302 -0.00085 -0.00723 -0.00121 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00002 0.00000 -0.00006 -0.00002 101 2PX 0.00000 -0.00002 0.00000 -0.00006 -0.00003 102 2PY 0.00000 -0.00004 -0.00003 -0.00016 -0.00008 103 2PZ 0.00000 -0.00005 -0.00004 -0.00015 -0.00002 104 3S 0.00000 -0.00005 0.00017 -0.00222 0.00014 105 3PX 0.00003 -0.00084 0.00011 -0.00123 -0.00081 106 3PY 0.00004 -0.00084 -0.00020 -0.00276 -0.00100 107 3PZ 0.00006 -0.00155 -0.00080 -0.00300 -0.00021 108 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 109 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00001 0.00000 0.00003 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00001 -0.00001 121 3PY 0.00000 0.00002 0.00001 0.00007 0.00000 122 3PZ 0.00000 0.00001 -0.00001 0.00002 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00001 -0.00006 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00019 0.00000 0.00004 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 -0.00001 0.00009 0.00000 0.00000 171 3PX 0.00000 -0.00016 0.00017 0.00000 0.00004 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00007 0.00000 -0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00001 0.00003 0.00000 0.00003 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 188 3PX 0.00000 0.00000 -0.00007 0.00000 0.00001 189 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00001 -0.00001 0.00000 205 3PX 0.00000 -0.00006 0.00000 -0.00001 0.00001 206 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00001 0.00000 -0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.46610 7 3PX 0.00000 0.11495 8 3PY 0.00000 0.00000 0.06208 9 3PZ 0.00000 0.00000 0.00000 0.10581 10 4XX -0.00366 0.00000 0.00000 0.00000 0.00068 11 4YY -0.00280 0.00000 0.00000 0.00000 -0.00004 12 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00014 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00113 0.00035 -0.00108 0.00024 -0.00001 17 2S -0.00317 0.00128 0.00732 0.00296 0.00014 18 2PX 0.01366 -0.00115 0.00670 0.01049 -0.00024 19 2PY 0.01452 0.00654 0.00179 0.01010 0.00012 20 2PZ 0.01730 0.01085 0.01039 -0.00073 0.00012 21 3S -0.00860 0.00232 0.00501 0.00612 0.00030 22 3PX -0.00054 0.00276 0.00051 0.00292 -0.00029 23 3PY -0.00371 0.00018 0.00063 0.00181 -0.00027 24 3PZ -0.00732 0.00236 0.00281 0.00150 0.00048 25 4XX 0.00036 -0.00060 -0.00020 0.00099 0.00000 26 4YY -0.00105 -0.00025 -0.00026 -0.00029 -0.00002 27 4ZZ 0.00290 0.00159 0.00007 -0.00044 0.00001 28 4XY 0.00108 -0.00003 -0.00001 0.00049 -0.00001 29 4XZ 0.00032 0.00004 0.00009 0.00000 0.00000 30 4YZ 0.00148 0.00047 0.00000 -0.00001 -0.00005 31 3 C 1S 0.00010 0.00007 0.00000 0.00006 0.00000 32 2S -0.00259 -0.00159 -0.00002 -0.00146 0.00000 33 2PX -0.00359 -0.00076 -0.00006 -0.00285 0.00000 34 2PY 0.00003 0.00001 -0.00039 0.00001 0.00000 35 2PZ -0.00348 -0.00291 -0.00005 -0.00121 0.00003 36 3S -0.02427 -0.00849 -0.00001 -0.00590 0.00013 37 3PX -0.00915 -0.00104 -0.00011 -0.00550 0.00001 38 3PY 0.00001 0.00008 -0.00287 0.00007 0.00000 39 3PZ -0.00689 -0.00360 -0.00008 -0.00113 0.00025 40 4XX 0.00005 -0.00006 0.00000 0.00019 0.00000 41 4YY -0.00001 -0.00008 0.00000 -0.00008 0.00000 42 4ZZ 0.00017 0.00032 0.00000 0.00005 0.00000 43 4XY 0.00000 0.00000 -0.00003 0.00000 0.00000 44 4XZ 0.00001 0.00006 0.00000 0.00004 0.00000 45 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 46 4 C 1S 0.00001 0.00002 0.00001 0.00002 0.00000 47 2S 0.00003 -0.00032 0.00008 -0.00024 0.00000 48 2PX -0.00039 0.00027 0.00003 -0.00073 0.00000 49 2PY -0.00008 -0.00004 -0.00008 -0.00024 0.00000 50 2PZ -0.00011 -0.00044 -0.00012 0.00033 0.00000 51 3S 0.00483 -0.00107 0.00259 -0.00163 0.00001 52 3PX -0.00212 0.00068 -0.00014 -0.00207 -0.00001 53 3PY 0.00249 0.00060 0.00003 -0.00084 -0.00001 54 3PZ -0.00064 -0.00044 -0.00054 0.00037 0.00003 55 4XX -0.00002 -0.00002 -0.00002 0.00003 0.00000 56 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 57 4ZZ 0.00000 0.00004 0.00000 -0.00002 0.00000 58 4XY -0.00003 -0.00001 0.00001 -0.00002 0.00000 59 4XZ -0.00001 0.00001 -0.00001 0.00000 0.00000 60 4YZ -0.00003 -0.00002 0.00001 -0.00002 0.00000 61 5 C 1S -0.00007 -0.00003 0.00001 -0.00003 0.00000 62 2S 0.00016 0.00015 -0.00151 0.00000 0.00000 63 2PX -0.00024 0.00011 -0.00011 -0.00010 0.00000 64 2PY -0.00428 -0.00045 -0.00440 -0.00025 0.00000 65 2PZ 0.00002 -0.00001 0.00002 0.00001 0.00000 66 3S 0.00047 -0.00098 -0.00446 -0.00025 0.00003 67 3PX -0.00163 0.00056 -0.00003 -0.00086 0.00001 68 3PY 0.00462 -0.00023 0.00244 0.00034 -0.00008 69 3PZ 0.00045 -0.00055 0.00164 0.00025 0.00002 70 4XX -0.00007 -0.00008 -0.00006 0.00013 0.00000 71 4YY 0.00025 -0.00004 0.00041 0.00002 0.00000 72 4ZZ -0.00019 0.00015 -0.00027 -0.00012 0.00000 73 4XY -0.00011 0.00005 -0.00014 0.00013 0.00000 74 4XZ -0.00002 0.00001 -0.00001 0.00000 0.00000 75 4YZ -0.00014 0.00009 -0.00024 0.00000 0.00000 76 6 C 1S 0.00141 0.00000 -0.00039 0.00000 0.00000 77 2S -0.00486 0.00000 0.01070 0.00000 -0.00055 78 2PX 0.00000 0.02884 0.00000 0.00000 0.00000 79 2PY 0.03376 0.00000 0.01596 0.00000 -0.00136 80 2PZ 0.00000 0.00000 0.00000 0.02320 0.00000 81 3S -0.09996 0.00000 -0.02371 0.00000 -0.00095 82 3PX 0.00000 0.04504 0.00000 0.00000 0.00000 83 3PY -0.02371 0.00000 0.00037 0.00000 -0.00101 84 3PZ 0.00000 0.00000 0.00000 0.03614 0.00000 85 4XX -0.00095 0.00000 -0.00101 0.00000 0.00003 86 4YY 0.00386 0.00000 0.00099 0.00000 -0.00005 87 4ZZ -0.00125 0.00000 -0.00120 0.00000 0.00001 88 4XY 0.00000 0.00121 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00117 0.00000 91 7 H 1S 0.04278 0.01616 0.00929 0.01972 0.00021 92 2S 0.00483 0.01600 0.00681 0.01826 0.00096 93 8 H 1S 0.00008 0.00009 0.00003 0.00010 0.00000 94 2S 0.00231 0.00172 0.00023 0.00147 -0.00001 95 9 H 1S 0.00000 0.00000 0.00001 -0.00001 0.00000 96 2S -0.00028 0.00006 -0.00002 -0.00026 0.00000 97 10 H 1S -0.00358 -0.00029 -0.00303 -0.00051 0.00000 98 2S -0.00542 -0.00154 -0.00622 -0.00201 0.00012 99 11 O 1S 0.00001 -0.00002 0.00001 -0.00004 0.00000 100 2S -0.00066 0.00018 0.00054 0.00021 0.00000 101 2PX -0.00155 0.00005 0.00038 -0.00038 0.00000 102 2PY -0.00351 -0.00128 0.00166 -0.00272 0.00000 103 2PZ -0.00400 -0.00075 0.00162 -0.00008 0.00000 104 3S 0.00073 0.00173 -0.00224 0.00285 0.00000 105 3PX -0.00767 0.00022 0.00101 -0.00176 -0.00001 106 3PY -0.01263 -0.00293 0.00284 -0.00710 -0.00008 107 3PZ -0.01873 -0.00275 0.00413 0.00017 0.00003 108 4XX 0.00011 0.00000 -0.00010 0.00002 0.00000 109 4YY -0.00053 -0.00020 0.00037 -0.00036 0.00000 110 4ZZ 0.00001 0.00003 0.00003 -0.00001 0.00000 111 4XY -0.00005 -0.00002 0.00006 0.00003 0.00000 112 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 113 4YZ -0.00026 -0.00002 0.00023 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00001 0.00000 0.00003 -0.00001 0.00000 116 2PX 0.00001 -0.00001 0.00005 -0.00002 0.00000 117 2PY 0.00009 0.00002 0.00017 -0.00001 0.00000 118 2PZ 0.00004 -0.00001 0.00015 0.00000 0.00000 119 3S 0.00006 -0.00002 0.00034 -0.00004 0.00000 120 3PX 0.00021 -0.00020 0.00050 -0.00017 0.00000 121 3PY 0.00104 0.00021 0.00140 -0.00010 0.00000 122 3PZ 0.00059 -0.00012 0.00144 -0.00002 0.00000 123 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 124 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00001 0.00000 0.00002 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00001 0.00000 0.00000 0.00000 135 3PX 0.00001 0.00008 -0.00001 -0.00001 0.00000 136 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 137 3PZ 0.00001 0.00002 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00002 0.00000 0.00000 0.00000 150 2PX 0.00005 -0.00010 0.00000 0.00002 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00011 -0.00053 -0.00007 -0.00001 0.00000 154 3PX 0.00083 -0.00133 -0.00008 0.00030 0.00001 155 3PY 0.00007 -0.00004 0.00004 0.00001 0.00000 156 3PZ -0.00005 -0.00005 -0.00001 0.00004 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00009 0.00001 -0.00003 0.00002 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00002 -0.00010 0.00000 -0.00002 0.00000 167 2PX 0.00013 0.00017 0.00000 -0.00001 0.00000 168 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 169 2PZ 0.00002 0.00002 0.00000 0.00001 0.00000 170 3S 0.00022 0.00073 0.00000 -0.00004 0.00000 171 3PX 0.00104 0.00180 -0.00001 0.00018 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00011 0.00039 0.00000 -0.00006 0.00000 174 4XX 0.00000 0.00002 0.00000 0.00000 0.00000 175 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 176 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 181 2S -0.00016 0.00035 0.00004 0.00027 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 -0.00003 0.00000 0.00001 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S -0.00006 -0.00008 0.00001 0.00000 0.00000 188 3PX -0.00019 -0.00075 -0.00008 0.00016 0.00000 189 3PY -0.00009 -0.00013 -0.00001 0.00000 0.00000 190 3PZ 0.00002 0.00003 -0.00002 0.00002 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00001 -0.00001 -0.00002 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S -0.00001 -0.00006 -0.00001 -0.00001 0.00000 201 2PX 0.00001 0.00001 0.00001 -0.00002 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 204 3S -0.00010 -0.00004 0.00000 0.00003 0.00000 205 3PX 0.00000 0.00075 -0.00005 0.00005 0.00000 206 3PY 0.00004 0.00014 0.00000 0.00001 0.00000 207 3PZ -0.00002 0.00012 0.00001 -0.00007 0.00000 208 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 215 2S 0.00005 0.00005 0.00005 -0.00001 0.00000 11 12 13 14 15 11 4YY 0.00077 12 4ZZ -0.00007 0.00072 13 4XY 0.00000 0.00000 0.00111 14 4XZ 0.00000 0.00000 0.00000 0.00067 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00126 16 2 C 1S 0.00000 -0.00003 -0.00004 -0.00005 -0.00006 17 2S -0.00021 0.00057 0.00062 0.00076 0.00093 18 2PX -0.00008 0.00039 0.00011 0.00000 0.00095 19 2PY -0.00032 0.00045 0.00004 0.00088 0.00004 20 2PZ -0.00011 -0.00040 0.00094 0.00023 0.00048 21 3S -0.00055 0.00077 0.00035 0.00024 0.00044 22 3PX -0.00015 0.00059 0.00002 0.00000 0.00011 23 3PY 0.00012 0.00003 -0.00007 0.00003 -0.00010 24 3PZ 0.00021 -0.00044 0.00016 0.00000 0.00000 25 4XX -0.00003 0.00001 -0.00001 0.00000 -0.00009 26 4YY 0.00002 -0.00005 0.00000 -0.00007 0.00000 27 4ZZ -0.00006 0.00000 -0.00009 0.00002 -0.00001 28 4XY -0.00001 -0.00004 0.00002 0.00001 -0.00002 29 4XZ -0.00003 0.00001 0.00001 0.00003 -0.00002 30 4YZ -0.00001 -0.00001 -0.00001 0.00001 0.00003 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00000 0.00001 0.00000 33 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00002 0.00000 36 3S 0.00000 0.00007 0.00000 0.00004 0.00000 37 3PX -0.00010 0.00029 0.00000 0.00006 0.00000 38 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00003 39 3PZ -0.00007 0.00001 0.00000 0.00007 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00000 -0.00001 -0.00004 0.00000 -0.00003 52 3PX -0.00002 0.00002 -0.00002 0.00000 -0.00003 53 3PY 0.00001 0.00000 0.00001 -0.00001 0.00001 54 3PZ 0.00000 -0.00001 -0.00003 0.00001 -0.00002 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00001 0.00000 0.00001 0.00000 0.00001 63 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 64 2PY 0.00002 0.00000 0.00002 0.00000 0.00004 65 2PZ 0.00001 0.00000 0.00002 0.00000 0.00001 66 3S 0.00002 0.00005 0.00008 0.00001 0.00011 67 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 68 3PY 0.00007 -0.00006 0.00006 0.00000 0.00010 69 3PZ 0.00001 0.00000 0.00004 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00031 0.00000 0.00000 0.00000 0.00000 77 2S 0.00347 -0.00059 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00253 0.00000 0.00000 79 2PY 0.00224 -0.00143 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00257 81 3S 0.00386 -0.00125 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.00121 0.00000 0.00000 83 3PY 0.00099 -0.00120 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00117 85 4XX -0.00005 0.00001 0.00000 0.00000 0.00000 86 4YY 0.00003 -0.00004 0.00000 0.00000 0.00000 87 4ZZ -0.00004 0.00003 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 -0.00012 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00018 91 7 H 1S -0.00060 0.00043 0.00166 0.00173 0.00206 92 2S -0.00096 0.00106 0.00035 0.00026 0.00044 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00002 0.00000 0.00005 0.00000 0.00005 98 2S -0.00012 0.00014 0.00019 0.00000 0.00022 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00002 0.00000 0.00000 0.00000 0.00001 103 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 104 3S 0.00006 -0.00001 0.00000 0.00000 -0.00001 105 3PX 0.00005 0.00004 0.00004 0.00000 0.00008 106 3PY 0.00037 -0.00001 0.00002 -0.00005 0.00019 107 3PZ 0.00025 -0.00005 0.00008 0.00000 -0.00003 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX -0.00001 0.00000 0.00000 0.00001 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05393 17 2S -0.01557 0.35893 18 2PX 0.00000 0.00000 0.35083 19 2PY 0.00000 0.00000 0.00000 0.42511 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.35656 21 3S -0.02739 0.20452 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.05642 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 -0.00516 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.05809 25 4XX -0.00093 -0.00981 0.00000 0.00000 0.00000 26 4YY -0.00120 -0.00270 0.00000 0.00000 0.00000 27 4ZZ -0.00093 -0.00970 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00030 -0.00078 -0.00041 -0.00053 32 2S -0.00030 0.00788 0.01384 0.00642 0.00943 33 2PX -0.00077 0.01433 0.00632 0.01359 0.02138 34 2PY -0.00045 0.00888 0.01400 0.00102 0.00846 35 2PZ -0.00057 0.01088 0.02133 0.00846 0.00194 36 3S 0.00111 -0.00104 0.02071 0.01429 0.01511 37 3PX -0.00015 0.00614 -0.00081 0.00896 0.01425 38 3PY -0.00113 0.00855 0.00926 0.00171 0.00591 39 3PZ 0.00030 0.00211 0.01083 0.00723 -0.00214 40 4XX -0.00003 0.00057 -0.00034 0.00042 0.00051 41 4YY 0.00000 -0.00026 -0.00022 -0.00028 -0.00013 42 4ZZ -0.00001 0.00003 -0.00004 0.00001 -0.00031 43 4XY -0.00006 0.00090 0.00042 0.00001 0.00095 44 4XZ -0.00006 0.00091 0.00032 0.00095 0.00007 45 4YZ -0.00004 0.00061 0.00097 0.00001 0.00011 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00005 -0.00005 -0.00013 -0.00004 48 2PX 0.00000 -0.00003 -0.00002 -0.00002 0.00001 49 2PY 0.00000 -0.00021 -0.00018 -0.00036 -0.00005 50 2PZ 0.00000 -0.00001 -0.00002 -0.00004 -0.00001 51 3S -0.00006 0.00002 -0.00031 -0.00367 -0.00065 52 3PX 0.00000 -0.00043 0.00004 -0.00016 -0.00021 53 3PY 0.00000 -0.00126 -0.00053 -0.00429 -0.00011 54 3PZ -0.00002 0.00019 -0.00004 -0.00033 0.00018 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00001 0.00001 0.00001 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00001 0.00000 0.00003 0.00002 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00001 0.00002 0.00001 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 -0.00002 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 -0.00002 0.00000 -0.00006 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00003 -0.00046 0.00000 -0.00063 0.00000 67 3PX 0.00000 0.00000 -0.00009 0.00000 0.00000 68 3PY 0.00010 -0.00131 0.00000 0.00073 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00008 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00006 -0.00004 -0.00016 -0.00006 78 2PX 0.00000 -0.00002 -0.00001 -0.00006 0.00001 79 2PY 0.00000 -0.00025 -0.00009 -0.00044 -0.00018 80 2PZ 0.00000 -0.00003 0.00001 -0.00003 -0.00003 81 3S -0.00007 0.00016 -0.00024 -0.00428 0.00002 82 3PX -0.00003 0.00015 0.00011 -0.00045 -0.00001 83 3PY 0.00001 -0.00151 -0.00011 -0.00439 0.00002 84 3PZ -0.00003 0.00000 -0.00010 -0.00025 0.00001 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00001 0.00002 0.00001 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00001 0.00000 0.00002 0.00002 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00002 0.00003 0.00001 91 7 H 1S 0.00000 -0.00015 -0.00028 -0.00002 -0.00036 92 2S 0.00025 -0.00361 -0.00428 0.00010 -0.00534 93 8 H 1S 0.00000 -0.00016 -0.00033 -0.00002 -0.00031 94 2S 0.00025 -0.00378 -0.00439 0.00010 -0.00468 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00009 0.00010 0.00012 0.00008 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00009 0.00008 0.00015 0.00013 99 11 O 1S 0.00000 -0.00027 -0.00003 -0.00197 -0.00002 100 2S -0.00015 0.00376 0.00050 0.02845 0.00027 101 2PX -0.00003 0.00074 0.01507 0.00407 -0.00047 102 2PY -0.00177 0.04211 0.00401 0.09891 0.00215 103 2PZ -0.00002 0.00037 -0.00048 0.00208 0.01544 104 3S -0.00099 -0.01110 -0.00016 0.00932 -0.00011 105 3PX -0.00015 0.00107 0.02912 0.00354 -0.00053 106 3PY -0.00836 0.06337 0.00337 0.05267 0.00189 107 3PZ -0.00007 0.00057 -0.00054 0.00187 0.02851 108 4XX 0.00002 -0.00068 0.00005 -0.00080 -0.00001 109 4YY -0.00079 0.00760 0.00075 0.00903 0.00040 110 4ZZ 0.00001 -0.00070 -0.00002 -0.00090 0.00002 111 4XY -0.00004 0.00024 0.00380 0.00061 -0.00003 112 4XZ 0.00000 0.00000 0.00004 0.00002 0.00008 113 4YZ -0.00002 0.00010 -0.00003 0.00030 0.00403 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00003 0.00001 0.00000 135 3PX 0.00000 0.00000 -0.00002 0.00001 0.00000 136 3PY 0.00000 0.00001 0.00003 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00001 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 150 2PX 0.00000 -0.00003 0.00000 -0.00001 0.00001 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00001 0.00002 -0.00054 -0.00007 -0.00008 154 3PX 0.00003 -0.00099 0.00068 -0.00017 0.00022 155 3PY 0.00000 -0.00002 0.00007 -0.00008 0.00001 156 3PZ 0.00000 -0.00008 -0.00012 0.00000 -0.00017 157 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 -0.00002 -0.00009 -0.00001 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 -0.00001 -0.00001 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 170 3S 0.00001 -0.00022 -0.00016 0.00005 0.00014 171 3PX 0.00001 -0.00051 -0.00053 -0.00013 -0.00001 172 3PY 0.00000 0.00002 -0.00010 0.00001 -0.00002 173 3PZ 0.00002 -0.00027 -0.00012 0.00002 0.00017 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00002 0.00008 0.00000 0.00005 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 188 3PX 0.00000 0.00003 0.00000 0.00005 -0.00001 189 3PY 0.00000 -0.00001 -0.00004 -0.00001 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00003 0.00002 0.00000 -0.00001 205 3PX 0.00000 -0.00003 -0.00009 -0.00001 -0.00007 206 3PY 0.00000 0.00001 -0.00002 -0.00001 -0.00001 207 3PZ 0.00000 0.00002 0.00000 0.00001 -0.00002 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.22047 22 3PX 0.00000 0.05211 23 3PY 0.00000 0.00000 0.03644 24 3PZ 0.00000 0.00000 0.00000 0.05180 25 4XX -0.00462 0.00000 0.00000 0.00000 0.00204 26 4YY -0.00426 0.00000 0.00000 0.00000 -0.00034 27 4ZZ -0.00435 0.00000 0.00000 0.00000 0.00030 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00054 0.00051 0.00051 0.00034 -0.00003 32 2S 0.00299 0.00086 0.00200 -0.00069 0.00051 33 2PX 0.01336 0.00026 0.00515 0.00401 -0.00067 34 2PY 0.00747 0.00173 0.00200 0.00096 0.00091 35 2PZ 0.00960 0.00398 0.00287 0.00130 0.00089 36 3S -0.02455 -0.00729 -0.00765 -0.00177 0.00352 37 3PX 0.00659 0.00261 0.00197 0.00410 -0.00091 38 3PY 0.00601 0.00242 0.00027 0.00012 0.00019 39 3PZ 0.00097 0.00091 -0.00076 0.00136 0.00192 40 4XX 0.00109 -0.00041 0.00022 0.00062 0.00000 41 4YY -0.00058 0.00021 0.00014 -0.00012 -0.00007 42 4ZZ 0.00013 0.00045 -0.00039 -0.00032 0.00001 43 4XY 0.00029 0.00000 -0.00008 0.00010 -0.00001 44 4XZ 0.00028 0.00000 0.00009 0.00001 -0.00001 45 4YZ 0.00033 0.00016 -0.00007 0.00002 -0.00006 46 4 C 1S -0.00001 0.00000 -0.00018 0.00002 0.00000 47 2S -0.00052 -0.00020 0.00155 -0.00044 0.00000 48 2PX 0.00008 0.00004 0.00023 -0.00013 0.00000 49 2PY -0.00274 -0.00035 0.00175 -0.00014 -0.00001 50 2PZ -0.00078 -0.00035 0.00010 0.00015 0.00000 51 3S 0.00235 0.00012 0.00664 -0.00234 -0.00012 52 3PX 0.00137 0.00023 0.00033 -0.00062 -0.00010 53 3PY -0.00324 0.00148 0.00251 0.00042 -0.00044 54 3PZ -0.00119 -0.00047 0.00070 0.00086 0.00008 55 4XX 0.00002 -0.00001 -0.00003 0.00002 0.00000 56 4YY -0.00001 0.00000 0.00004 0.00001 0.00000 57 4ZZ 0.00005 0.00002 -0.00008 0.00001 0.00000 58 4XY 0.00006 0.00000 0.00007 0.00002 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00007 0.00003 0.00004 0.00000 0.00000 61 5 C 1S 0.00003 0.00000 0.00010 0.00000 0.00000 62 2S -0.00046 0.00000 -0.00131 0.00000 0.00000 63 2PX 0.00000 -0.00009 0.00000 0.00000 0.00000 64 2PY -0.00063 0.00000 0.00073 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 66 3S -0.00335 0.00000 -0.00473 0.00000 0.00001 67 3PX 0.00000 0.00018 0.00000 0.00000 0.00000 68 3PY -0.00472 0.00000 -0.00123 0.00000 0.00003 69 3PZ 0.00000 0.00000 0.00000 0.00027 0.00000 70 4XX 0.00001 0.00000 0.00003 0.00000 0.00000 71 4YY -0.00002 0.00000 0.00008 0.00000 0.00000 72 4ZZ 0.00002 0.00000 0.00002 0.00000 0.00000 73 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 76 6 C 1S 0.00001 0.00002 -0.00015 0.00000 0.00000 77 2S -0.00076 -0.00036 0.00164 -0.00018 0.00000 78 2PX -0.00082 0.00020 -0.00035 -0.00029 0.00000 79 2PY -0.00264 -0.00051 0.00265 -0.00039 -0.00001 80 2PZ -0.00074 -0.00032 -0.00009 0.00006 0.00001 81 3S 0.00047 -0.00163 0.00462 0.00045 -0.00008 82 3PX -0.00098 0.00056 -0.00022 -0.00055 -0.00008 83 3PY -0.00446 -0.00003 0.00244 0.00164 -0.00006 84 3PZ -0.00025 -0.00086 0.00034 0.00025 0.00013 85 4XX 0.00003 0.00001 -0.00008 0.00002 0.00000 86 4YY 0.00002 0.00000 0.00007 0.00001 0.00000 87 4ZZ 0.00005 0.00002 -0.00006 0.00000 0.00000 88 4XY 0.00008 0.00000 0.00007 0.00004 0.00000 89 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00011 0.00003 0.00010 0.00000 0.00000 91 7 H 1S -0.00263 0.00004 -0.00052 -0.00111 0.00002 92 2S -0.01118 0.00051 -0.00116 -0.00275 0.00043 93 8 H 1S -0.00246 -0.00089 -0.00044 0.00003 0.00001 94 2S -0.00885 -0.00224 -0.00086 0.00093 0.00009 95 9 H 1S 0.00008 0.00004 0.00000 0.00002 0.00000 96 2S 0.00099 0.00045 -0.00011 0.00030 0.00000 97 10 H 1S 0.00009 0.00004 0.00003 0.00005 0.00000 98 2S 0.00131 0.00038 0.00031 0.00057 0.00000 99 11 O 1S 0.00152 0.00000 0.00011 0.00000 0.00001 100 2S -0.02248 -0.00017 -0.01279 -0.00001 -0.00063 101 2PX 0.00080 0.02076 -0.00030 -0.00013 0.00020 102 2PY 0.02242 0.00035 -0.00515 0.00029 -0.00137 103 2PZ 0.00017 -0.00013 -0.00005 0.02061 0.00000 104 3S -0.07475 -0.00054 -0.01898 -0.00026 -0.00225 105 3PX 0.00172 0.04687 -0.00053 -0.00020 -0.00017 106 3PY 0.04168 0.00055 -0.00169 0.00042 -0.00386 107 3PZ 0.00026 -0.00020 -0.00008 0.04603 0.00002 108 4XX -0.00043 -0.00005 0.00118 -0.00002 0.00005 109 4YY 0.00583 0.00017 -0.00178 0.00011 -0.00023 110 4ZZ -0.00051 0.00000 0.00118 -0.00002 0.00002 111 4XY 0.00007 0.00140 -0.00001 -0.00001 0.00002 112 4XZ 0.00000 0.00002 0.00000 0.00003 0.00000 113 4YZ 0.00003 -0.00001 0.00000 0.00141 -0.00001 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00001 0.00000 0.00006 0.00000 0.00000 120 3PX 0.00000 0.00002 0.00000 0.00000 0.00000 121 3PY -0.00002 0.00000 -0.00016 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00001 0.00000 0.00001 0.00000 0.00000 131 2PX 0.00002 -0.00002 0.00003 0.00001 0.00000 132 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00015 0.00044 0.00010 0.00000 0.00000 135 3PX 0.00002 -0.00005 0.00024 0.00003 0.00000 136 3PY 0.00008 0.00025 0.00001 0.00001 0.00000 137 3PZ -0.00003 0.00004 -0.00002 0.00008 0.00000 138 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 146 15 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 147 2S 0.00009 0.00014 0.00009 0.00000 0.00000 148 16 C 1S 0.00001 0.00003 0.00000 0.00000 0.00000 149 2S -0.00024 -0.00079 -0.00006 -0.00001 0.00000 150 2PX -0.00001 0.00033 -0.00028 0.00007 0.00002 151 2PY -0.00001 -0.00010 -0.00004 0.00001 0.00000 152 2PZ 0.00004 0.00003 0.00000 0.00004 0.00000 153 3S -0.00053 -0.00382 -0.00016 -0.00016 0.00003 154 3PX 0.00046 0.00283 -0.00070 0.00028 0.00039 155 3PY -0.00003 0.00007 -0.00008 0.00004 0.00001 156 3PZ 0.00006 -0.00012 -0.00003 0.00012 0.00004 157 4XX 0.00003 0.00013 -0.00001 0.00001 0.00000 158 4YY 0.00000 -0.00004 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S -0.00004 -0.00029 -0.00001 0.00000 0.00000 164 2S -0.00025 -0.00033 -0.00015 0.00000 -0.00003 165 18 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 166 2S -0.00009 -0.00014 -0.00002 -0.00006 0.00000 167 2PX 0.00022 0.00000 -0.00031 -0.00022 0.00000 168 2PY 0.00002 -0.00004 0.00002 0.00000 0.00000 169 2PZ -0.00009 -0.00008 -0.00012 0.00000 0.00000 170 3S -0.00048 -0.00018 -0.00028 -0.00012 0.00004 171 3PX 0.00098 -0.00028 -0.00114 -0.00095 -0.00001 172 3PY -0.00002 -0.00027 0.00001 -0.00002 -0.00001 173 3PZ -0.00014 0.00040 -0.00044 0.00011 0.00002 174 4XX 0.00001 0.00002 0.00001 0.00001 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 177 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 178 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00003 -0.00001 0.00000 -0.00005 0.00000 181 2S 0.00042 0.00037 0.00000 0.00008 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00000 0.00001 0.00000 0.00000 184 2PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 185 2PY 0.00000 -0.00002 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00007 -0.00021 0.00004 -0.00001 0.00000 188 3PX -0.00003 -0.00013 0.00007 -0.00004 0.00000 189 3PY 0.00001 -0.00027 -0.00005 -0.00002 0.00000 190 3PZ 0.00000 -0.00001 0.00001 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00001 0.00001 -0.00001 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00001 0.00001 0.00003 0.00000 0.00000 201 2PX 0.00000 -0.00004 -0.00008 -0.00006 0.00000 202 2PY -0.00002 -0.00001 0.00001 0.00000 0.00000 203 2PZ 0.00002 0.00001 -0.00001 -0.00001 0.00000 204 3S 0.00008 0.00012 0.00030 0.00007 0.00000 205 3PX -0.00003 -0.00029 -0.00055 -0.00043 -0.00002 206 3PY -0.00017 -0.00015 0.00006 0.00002 -0.00001 207 3PZ 0.00012 0.00000 -0.00002 -0.00004 -0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00001 -0.00003 -0.00002 0.00001 0.00000 26 27 28 29 30 26 4YY 0.00224 27 4ZZ -0.00029 0.00197 28 4XY 0.00000 0.00000 0.00342 29 4XZ 0.00000 0.00000 0.00000 0.00061 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00360 31 3 C 1S 0.00001 -0.00001 -0.00008 -0.00006 -0.00007 32 2S -0.00027 0.00004 0.00110 0.00079 0.00101 33 2PX -0.00008 0.00015 0.00044 0.00018 0.00190 34 2PY -0.00038 0.00028 0.00012 0.00081 0.00013 35 2PZ -0.00030 -0.00043 0.00160 -0.00009 0.00015 36 3S -0.00166 0.00038 0.00143 0.00044 0.00113 37 3PX 0.00012 0.00090 -0.00001 0.00000 0.00061 38 3PY -0.00035 -0.00023 0.00000 0.00009 0.00001 39 3PZ -0.00078 -0.00054 0.00052 0.00003 -0.00001 40 4XX -0.00003 -0.00003 0.00000 -0.00001 -0.00006 41 4YY 0.00002 -0.00004 -0.00001 -0.00004 -0.00001 42 4ZZ -0.00003 0.00001 -0.00007 0.00001 -0.00001 43 4XY 0.00000 -0.00007 0.00002 0.00000 -0.00001 44 4XZ -0.00006 0.00001 0.00000 0.00003 0.00002 45 4YZ 0.00000 -0.00002 0.00001 -0.00001 0.00001 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00002 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00001 0.00000 0.00000 0.00000 0.00001 49 2PY 0.00008 0.00000 0.00001 0.00000 0.00001 50 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 51 3S 0.00025 -0.00011 -0.00011 -0.00002 -0.00015 52 3PX 0.00007 0.00007 0.00000 0.00000 0.00009 53 3PY 0.00055 -0.00003 -0.00022 -0.00003 -0.00012 54 3PZ -0.00005 -0.00003 0.00002 0.00000 0.00003 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S -0.00002 0.00002 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 68 3PY 0.00008 0.00002 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00002 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00001 -0.00001 0.00000 0.00002 79 2PY 0.00009 -0.00001 0.00001 0.00000 0.00001 80 2PZ 0.00001 0.00000 0.00002 0.00000 -0.00001 81 3S 0.00025 -0.00019 -0.00011 -0.00002 -0.00014 82 3PX -0.00004 0.00015 0.00005 0.00001 0.00009 83 3PY 0.00042 -0.00027 -0.00014 -0.00001 -0.00024 84 3PZ 0.00002 -0.00012 0.00013 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00001 0.00004 0.00000 0.00004 0.00000 92 2S -0.00022 0.00034 -0.00004 0.00013 -0.00005 93 8 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 94 2S -0.00018 0.00073 -0.00005 0.00015 -0.00004 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00000 0.00001 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00000 0.00001 0.00000 0.00000 99 11 O 1S -0.00072 0.00001 -0.00003 0.00000 -0.00001 100 2S 0.00793 -0.00062 0.00036 0.00002 0.00015 101 2PX 0.00061 0.00001 0.00614 0.00003 0.00012 102 2PY 0.00193 -0.00143 0.00071 0.00004 0.00025 103 2PZ 0.00025 0.00009 0.00012 0.00010 0.00684 104 3S 0.01144 -0.00225 0.00018 0.00001 0.00007 105 3PX 0.00054 0.00006 0.00682 0.00003 0.00006 106 3PY 0.00112 -0.00429 0.00017 0.00002 0.00006 107 3PZ 0.00022 -0.00007 0.00006 0.00010 0.00737 108 4XX -0.00010 0.00002 0.00002 0.00000 0.00000 109 4YY -0.00008 -0.00025 0.00008 0.00000 0.00003 110 4ZZ -0.00011 0.00006 0.00000 0.00000 0.00001 111 4XY 0.00005 -0.00001 0.00054 0.00001 0.00000 112 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 113 4YZ 0.00002 0.00001 0.00000 0.00002 0.00060 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00002 0.00001 0.00001 0.00000 154 3PX -0.00004 -0.00012 0.00001 0.00002 0.00001 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ -0.00001 0.00000 0.00000 -0.00001 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00001 0.00000 0.00002 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00001 0.00001 0.00001 0.00001 0.00001 171 3PX 0.00001 0.00000 0.00000 0.00006 0.00001 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ -0.00001 0.00001 0.00000 0.00001 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX 0.00001 0.00001 -0.00001 0.00000 -0.00001 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05568 32 2S -0.01303 0.31926 33 2PX 0.00000 0.00000 0.35918 34 2PY 0.00000 0.00000 0.00000 0.42056 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38844 36 3S -0.04301 0.27661 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.12384 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07432 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.11112 40 4XX -0.00101 -0.00763 0.00000 0.00000 0.00000 41 4YY -0.00130 -0.00138 0.00000 0.00000 0.00000 42 4ZZ -0.00124 -0.00297 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00051 0.00000 -0.00255 0.00000 47 2S -0.00051 0.01091 0.00000 0.03913 0.00000 48 2PX 0.00000 0.00000 0.01380 0.00000 0.00000 49 2PY -0.00255 0.03913 0.00000 0.09866 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00810 51 3S 0.00178 -0.00340 0.00000 0.03292 0.00000 52 3PX 0.00000 0.00000 0.02010 0.00000 0.00000 53 3PY 0.00047 0.00779 0.00000 0.02182 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.01162 55 4XX 0.00000 -0.00042 0.00000 -0.00103 0.00000 56 4YY -0.00024 0.00321 0.00000 0.00241 0.00000 57 4ZZ 0.00000 -0.00046 0.00000 -0.00122 0.00000 58 4XY 0.00000 0.00000 0.00198 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00200 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00005 -0.00003 -0.00021 -0.00001 63 2PX 0.00000 -0.00005 -0.00002 -0.00018 -0.00002 64 2PY 0.00000 -0.00013 -0.00002 -0.00036 -0.00004 65 2PZ 0.00000 -0.00004 0.00001 -0.00005 -0.00001 66 3S -0.00001 -0.00052 0.00008 -0.00274 -0.00078 67 3PX 0.00000 -0.00020 0.00003 -0.00035 -0.00035 68 3PY -0.00018 0.00155 0.00023 0.00175 0.00010 69 3PZ 0.00002 -0.00044 -0.00013 -0.00014 0.00015 70 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 71 4YY 0.00000 0.00002 0.00001 0.00008 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 78 2PX 0.00000 -0.00001 0.00001 0.00000 -0.00002 79 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 80 2PZ 0.00000 0.00000 -0.00003 -0.00001 0.00001 81 3S 0.00001 0.00003 -0.00039 -0.00008 -0.00011 82 3PX 0.00002 -0.00032 0.00027 -0.00004 -0.00044 83 3PY 0.00001 0.00008 0.00003 -0.00008 -0.00012 84 3PZ 0.00002 -0.00024 -0.00073 -0.00024 0.00033 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00011 0.00022 0.00002 0.00019 93 8 H 1S -0.00201 0.03202 0.01167 0.02440 0.06302 94 2S -0.00093 0.01132 0.00750 0.01280 0.03868 95 9 H 1S 0.00000 -0.00018 -0.00003 -0.00052 -0.00007 96 2S 0.00021 -0.00300 -0.00045 -0.00609 -0.00122 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00001 -0.00001 -0.00005 0.00000 101 2PX 0.00000 -0.00004 -0.00001 -0.00013 -0.00005 102 2PY 0.00000 -0.00003 -0.00007 -0.00012 -0.00002 103 2PZ 0.00000 -0.00003 -0.00005 -0.00006 0.00000 104 3S 0.00001 -0.00006 0.00009 -0.00186 0.00014 105 3PX 0.00006 -0.00130 -0.00011 -0.00277 -0.00104 106 3PY 0.00004 -0.00059 -0.00089 -0.00209 -0.00010 107 3PZ 0.00004 -0.00095 -0.00115 -0.00127 0.00002 108 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 109 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 111 4XY 0.00000 0.00000 0.00001 0.00001 0.00001 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00002 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 121 3PY 0.00000 0.00001 0.00000 0.00005 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00002 -0.00010 0.00000 0.00000 131 2PX 0.00000 -0.00006 -0.00023 -0.00001 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 134 3S 0.00003 -0.00069 -0.00216 -0.00006 -0.00014 135 3PX 0.00004 -0.00056 0.00004 0.00013 -0.00006 136 3PY 0.00000 -0.00009 -0.00016 -0.00003 0.00003 137 3PZ 0.00001 -0.00008 -0.00020 0.00011 -0.00023 138 4XX 0.00000 0.00000 0.00005 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00003 0.00021 0.00000 0.00002 146 15 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 147 2S 0.00000 -0.00005 -0.00048 -0.00011 0.00010 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00017 0.00019 -0.00001 0.00011 150 2PX 0.00000 0.00022 0.00394 0.00020 0.00171 151 2PY 0.00000 0.00000 0.00014 -0.00004 0.00003 152 2PZ 0.00000 0.00003 0.00118 0.00005 0.00041 153 3S 0.00018 -0.00115 -0.00017 -0.00027 0.00147 154 3PX 0.00009 -0.00043 0.01077 0.00062 0.00627 155 3PY 0.00002 0.00011 0.00002 0.00059 0.00004 156 3PZ -0.00001 -0.00024 0.00604 0.00052 0.00024 157 4XX 0.00000 0.00004 0.00015 0.00002 0.00011 158 4YY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 159 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00001 160 4XY 0.00000 0.00000 0.00002 0.00001 0.00001 161 4XZ 0.00000 0.00005 0.00015 0.00002 0.00002 162 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 -0.00002 -0.00001 0.00000 164 2S 0.00002 -0.00029 -0.00101 -0.00067 -0.00032 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 167 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00001 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 -0.00001 -0.00002 0.00000 -0.00005 170 3S 0.00000 -0.00006 0.00054 0.00000 0.00012 171 3PX 0.00003 -0.00067 -0.00021 0.00000 -0.00045 172 3PY 0.00000 0.00000 0.00000 0.00002 0.00000 173 3PZ 0.00001 -0.00050 0.00030 0.00000 -0.00047 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00002 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 -0.00002 -0.00001 -0.00001 184 2PX 0.00000 0.00000 -0.00002 -0.00003 -0.00001 185 2PY 0.00000 -0.00001 -0.00003 -0.00002 -0.00001 186 2PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 187 3S 0.00000 -0.00003 -0.00061 0.00009 -0.00025 188 3PX 0.00000 -0.00008 -0.00076 -0.00077 -0.00047 189 3PY -0.00001 -0.00002 -0.00016 0.00038 0.00015 190 3PZ 0.00001 -0.00015 -0.00078 -0.00056 -0.00004 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00001 0.00001 0.00007 0.00001 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00002 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 204 3S 0.00000 -0.00001 -0.00008 -0.00011 -0.00011 205 3PX 0.00001 -0.00017 -0.00039 0.00009 -0.00107 206 3PY 0.00000 0.00000 -0.00013 -0.00001 -0.00029 207 3PZ 0.00001 -0.00018 -0.00066 -0.00013 -0.00066 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 36 37 38 39 40 36 3S 0.55233 37 3PX 0.00000 0.14607 38 3PY 0.00000 0.00000 0.07150 39 3PZ 0.00000 0.00000 0.00000 0.11604 40 4XX -0.00566 0.00000 0.00000 0.00000 0.00093 41 4YY -0.00391 0.00000 0.00000 0.00000 -0.00004 42 4ZZ -0.00169 0.00000 0.00000 0.00000 0.00007 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00178 0.00000 0.00047 0.00000 0.00000 47 2S -0.00340 0.00000 0.00779 0.00000 -0.00042 48 2PX 0.00000 0.02010 0.00000 0.00000 0.00000 49 2PY 0.03292 0.00000 0.02182 0.00000 -0.00103 50 2PZ 0.00000 0.00000 0.00000 0.01162 0.00000 51 3S -0.10121 -0.00001 -0.03113 0.00000 -0.00099 52 3PX 0.00001 0.03188 0.00000 0.00000 0.00000 53 3PY -0.03114 0.00000 0.00235 0.00000 -0.00090 54 3PZ 0.00000 0.00000 0.00000 0.01819 0.00000 55 4XX -0.00099 0.00000 -0.00090 0.00000 0.00002 56 4YY 0.00430 0.00000 0.00141 0.00000 -0.00005 57 4ZZ -0.00117 0.00000 -0.00126 0.00000 0.00001 58 4XY 0.00000 0.00133 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00105 0.00000 61 5 C 1S -0.00006 0.00000 0.00000 -0.00002 0.00000 62 2S 0.00002 -0.00044 -0.00126 0.00019 0.00000 63 2PX -0.00031 0.00004 -0.00053 -0.00004 0.00000 64 2PY -0.00367 -0.00016 -0.00429 -0.00033 0.00000 65 2PZ -0.00065 -0.00022 -0.00011 0.00018 0.00000 66 3S 0.00235 0.00137 -0.00324 -0.00119 0.00002 67 3PX 0.00012 0.00023 0.00148 -0.00047 -0.00001 68 3PY 0.00663 0.00033 0.00250 0.00070 -0.00003 69 3PZ -0.00234 -0.00063 0.00042 0.00086 0.00002 70 4XX -0.00012 -0.00010 -0.00044 0.00008 0.00000 71 4YY 0.00025 0.00007 0.00055 -0.00005 0.00000 72 4ZZ -0.00011 0.00007 -0.00003 -0.00003 0.00000 73 4XY -0.00011 0.00000 -0.00022 0.00002 0.00000 74 4XZ -0.00002 0.00000 -0.00003 0.00000 0.00000 75 4YZ -0.00015 0.00009 -0.00012 0.00003 0.00000 76 6 C 1S 0.00000 0.00002 0.00000 0.00001 0.00000 77 2S 0.00019 -0.00041 0.00002 -0.00002 0.00000 78 2PX -0.00004 0.00024 0.00019 -0.00003 0.00000 79 2PY -0.00013 -0.00019 -0.00009 -0.00022 0.00000 80 2PZ -0.00004 -0.00056 -0.00015 0.00022 0.00000 81 3S 0.00483 -0.00212 0.00249 -0.00064 -0.00002 82 3PX -0.00107 0.00068 0.00060 -0.00044 -0.00002 83 3PY 0.00258 -0.00014 0.00003 -0.00054 -0.00002 84 3PZ -0.00162 -0.00207 -0.00084 0.00037 0.00003 85 4XX 0.00000 -0.00001 -0.00001 0.00003 0.00000 86 4YY 0.00000 -0.00002 0.00001 0.00000 0.00000 87 4ZZ -0.00001 0.00002 0.00000 -0.00001 0.00000 88 4XY -0.00004 -0.00002 0.00001 -0.00003 0.00000 89 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 90 4YZ -0.00003 -0.00003 0.00001 -0.00002 0.00000 91 7 H 1S 0.00009 0.00012 0.00002 0.00009 0.00000 92 2S 0.00247 0.00208 0.00015 0.00158 0.00000 93 8 H 1S 0.04244 0.00671 0.00826 0.03508 -0.00082 94 2S -0.00197 0.00638 0.00644 0.03463 -0.00081 95 9 H 1S -0.00323 -0.00020 -0.00353 -0.00074 0.00000 96 2S -0.00506 -0.00093 -0.00599 -0.00293 0.00015 97 10 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 98 2S -0.00040 -0.00008 -0.00002 -0.00021 0.00000 99 11 O 1S 0.00001 -0.00003 0.00002 -0.00002 0.00000 100 2S -0.00068 0.00023 0.00026 0.00011 0.00000 101 2PX -0.00411 -0.00006 0.00124 -0.00127 0.00000 102 2PY -0.00298 -0.00210 0.00122 -0.00132 0.00000 103 2PZ -0.00189 -0.00078 0.00049 -0.00012 0.00000 104 3S 0.00043 0.00241 -0.00225 0.00156 0.00000 105 3PX -0.01953 0.00002 0.00291 -0.00449 -0.00005 106 3PY -0.00985 -0.00552 0.00208 -0.00293 0.00002 107 3PZ -0.00928 -0.00328 0.00139 -0.00074 0.00007 108 4XX 0.00001 -0.00001 0.00005 0.00002 0.00000 109 4YY -0.00043 -0.00027 0.00027 -0.00019 0.00000 110 4ZZ 0.00012 0.00004 -0.00009 0.00000 0.00000 111 4XY -0.00026 0.00000 0.00019 -0.00006 0.00000 112 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 113 4YZ -0.00008 0.00002 0.00007 -0.00003 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00001 0.00000 0.00003 0.00000 0.00000 116 2PX 0.00003 0.00000 0.00013 0.00000 0.00000 117 2PY 0.00006 0.00000 0.00013 0.00001 0.00000 118 2PZ 0.00002 -0.00001 0.00005 0.00000 0.00000 119 3S 0.00009 -0.00004 0.00025 0.00002 0.00000 120 3PX 0.00048 0.00000 0.00137 -0.00003 0.00000 121 3PY 0.00075 -0.00008 0.00108 0.00011 0.00000 122 3PZ 0.00028 -0.00012 0.00047 -0.00007 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00001 0.00000 0.00002 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 129 13 C 1S 0.00003 0.00010 0.00000 0.00001 0.00000 130 2S -0.00077 -0.00190 0.00013 -0.00021 0.00001 131 2PX -0.00155 -0.00286 0.00024 -0.00043 0.00003 132 2PY 0.00020 0.00047 -0.00023 0.00002 0.00000 133 2PZ -0.00015 0.00008 0.00005 -0.00007 0.00000 134 3S -0.00414 -0.00739 0.00041 -0.00094 0.00010 135 3PX -0.00303 0.00007 0.00037 -0.00040 0.00023 136 3PY -0.00004 0.00056 -0.00054 -0.00004 0.00003 137 3PZ -0.00055 -0.00037 0.00024 -0.00038 0.00002 138 4XX 0.00018 0.00059 -0.00004 0.00008 0.00000 139 4YY -0.00001 -0.00016 0.00000 -0.00001 0.00000 140 4ZZ -0.00005 -0.00013 0.00001 -0.00001 0.00000 141 4XY 0.00002 0.00013 -0.00001 0.00002 0.00000 142 4XZ 0.00001 0.00005 0.00000 -0.00002 0.00000 143 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 144 14 H 1S 0.00002 0.00008 0.00000 0.00001 0.00000 145 2S 0.00059 0.00226 -0.00008 0.00029 -0.00001 146 15 H 1S -0.00057 -0.00056 0.00016 0.00013 0.00000 147 2S -0.00161 -0.00041 0.00006 0.00041 0.00002 148 16 C 1S 0.00015 0.00013 0.00001 -0.00003 0.00000 149 2S 0.00026 -0.00087 -0.00050 0.00137 0.00005 150 2PX 0.00215 0.01104 0.00002 0.00774 0.00002 151 2PY 0.00045 0.00072 0.00095 0.00009 0.00002 152 2PZ 0.00016 0.00590 0.00001 0.00028 0.00010 153 3S 0.00009 -0.00486 -0.00075 0.00397 0.00030 154 3PX -0.00103 0.01407 0.00032 0.01234 0.00020 155 3PY -0.00029 -0.00010 0.00170 -0.00011 0.00003 156 3PZ 0.00174 0.01222 -0.00012 -0.00117 0.00035 157 4XX 0.00040 0.00080 0.00005 0.00048 0.00000 158 4YY -0.00028 -0.00048 0.00001 -0.00018 0.00000 159 4ZZ 0.00003 0.00017 0.00000 -0.00006 0.00000 160 4XY -0.00001 0.00001 0.00001 0.00002 0.00000 161 4XZ 0.00019 0.00029 0.00005 0.00002 -0.00001 162 4YZ 0.00000 0.00004 0.00002 0.00000 0.00000 163 17 H 1S -0.00050 -0.00111 0.00031 -0.00012 0.00000 164 2S -0.00547 -0.00510 0.00100 -0.00159 -0.00001 165 18 C 1S 0.00000 0.00001 0.00000 0.00002 0.00000 166 2S -0.00002 -0.00051 0.00000 -0.00048 0.00000 167 2PX -0.00062 -0.00015 0.00000 -0.00027 0.00000 168 2PY 0.00000 0.00000 -0.00002 0.00000 0.00000 169 2PZ -0.00024 -0.00111 0.00000 -0.00020 0.00000 170 3S 0.00205 0.00292 0.00000 0.00224 0.00000 171 3PX -0.00343 -0.00060 0.00001 -0.00162 0.00005 172 3PY 0.00000 0.00000 0.00037 -0.00001 0.00000 173 3PZ -0.00053 0.00020 0.00001 0.00004 0.00001 174 4XX 0.00000 -0.00001 0.00000 -0.00004 0.00000 175 4YY -0.00002 -0.00002 0.00000 -0.00004 0.00000 176 4ZZ 0.00002 0.00007 0.00000 0.00007 0.00000 177 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 178 4XZ 0.00002 0.00006 0.00000 0.00012 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00002 0.00000 -0.00003 0.00000 181 2S -0.00003 0.00019 -0.00002 -0.00019 0.00000 182 20 C 1S 0.00000 0.00003 0.00000 0.00002 0.00000 183 2S -0.00052 -0.00096 -0.00039 -0.00062 0.00000 184 2PX -0.00015 -0.00065 -0.00046 -0.00037 0.00000 185 2PY -0.00074 -0.00088 -0.00063 -0.00032 0.00000 186 2PZ 0.00001 -0.00084 -0.00025 -0.00002 0.00000 187 3S -0.00137 -0.00338 -0.00007 -0.00207 0.00002 188 3PX 0.00048 -0.00246 -0.00102 -0.00187 -0.00003 189 3PY -0.00056 -0.00091 0.00038 0.00006 0.00002 190 3PZ -0.00070 -0.00357 -0.00175 0.00027 -0.00002 191 4XX 0.00003 0.00007 -0.00006 0.00006 0.00000 192 4YY 0.00002 -0.00008 0.00006 -0.00003 0.00000 193 4ZZ 0.00000 0.00007 -0.00002 0.00002 0.00000 194 4XY 0.00001 0.00002 0.00003 0.00001 0.00000 195 4XZ 0.00002 0.00008 -0.00002 0.00001 0.00000 196 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 197 21 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 198 2S 0.00050 0.00014 0.00115 0.00005 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S -0.00011 0.00002 -0.00003 -0.00013 0.00000 201 2PX -0.00021 -0.00049 0.00017 -0.00091 0.00000 202 2PY -0.00003 -0.00010 -0.00001 -0.00005 0.00000 203 2PZ -0.00033 -0.00040 0.00007 -0.00061 0.00000 204 3S -0.00120 -0.00054 -0.00125 -0.00079 -0.00001 205 3PX -0.00150 -0.00115 0.00086 -0.00469 0.00000 206 3PY -0.00044 -0.00089 -0.00005 -0.00111 -0.00001 207 3PZ -0.00213 -0.00329 -0.00032 -0.00267 -0.00001 208 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 209 4YY 0.00001 -0.00001 0.00001 0.00000 0.00000 210 4ZZ -0.00001 -0.00003 -0.00001 -0.00003 0.00000 211 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 213 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00013 -0.00002 -0.00013 0.00000 41 42 43 44 45 41 4YY 0.00091 42 4ZZ -0.00008 0.00090 43 4XY 0.00000 0.00000 0.00093 44 4XZ 0.00000 0.00000 0.00000 0.00064 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00124 46 4 C 1S -0.00024 0.00000 0.00000 0.00000 0.00000 47 2S 0.00321 -0.00046 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00198 0.00000 0.00000 49 2PY 0.00241 -0.00122 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00199 51 3S 0.00430 -0.00117 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00133 0.00000 0.00000 53 3PY 0.00141 -0.00126 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00105 55 4XX -0.00005 0.00001 0.00000 0.00000 0.00000 56 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 57 4ZZ -0.00003 0.00002 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00008 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00024 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00001 0.00000 0.00001 63 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 64 2PY 0.00001 0.00000 0.00003 0.00000 0.00001 65 2PZ 0.00001 0.00000 0.00002 0.00000 0.00000 66 3S -0.00001 0.00005 0.00006 0.00000 0.00007 67 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 68 3PY 0.00004 -0.00008 0.00007 0.00000 0.00004 69 3PZ 0.00001 0.00001 0.00002 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 -0.00003 -0.00001 -0.00003 82 3PX -0.00001 0.00004 -0.00001 0.00001 -0.00002 83 3PY 0.00001 0.00000 0.00001 -0.00001 0.00001 84 3PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00002 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 93 8 H 1S -0.00082 0.00259 0.00051 0.00090 0.00280 94 2S -0.00120 0.00297 0.00012 0.00013 0.00056 95 9 H 1S 0.00002 0.00000 0.00001 0.00000 0.00007 96 2S -0.00011 0.00009 0.00006 0.00000 0.00029 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00002 0.00000 0.00001 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00008 -0.00001 -0.00001 0.00000 0.00000 105 3PX 0.00029 0.00004 -0.00002 0.00000 0.00005 106 3PY 0.00032 -0.00008 0.00016 -0.00005 0.00005 107 3PZ 0.00006 -0.00001 0.00006 0.00001 0.00001 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 -0.00001 -0.00001 0.00000 0.00000 135 3PX -0.00002 -0.00005 0.00001 0.00000 0.00000 136 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 137 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 0.00000 0.00002 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00001 0.00004 0.00001 150 2PX -0.00002 0.00005 0.00004 0.00014 0.00001 151 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 152 2PZ 0.00000 -0.00001 0.00002 0.00003 0.00001 153 3S -0.00005 -0.00012 0.00003 0.00018 0.00003 154 3PX -0.00015 0.00027 0.00008 0.00026 0.00005 155 3PY 0.00000 -0.00002 0.00002 0.00002 0.00001 156 3PZ -0.00011 0.00005 0.00007 0.00002 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00005 -0.00002 0.00001 -0.00001 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00001 0.00004 0.00000 0.00000 0.00000 171 3PX -0.00002 0.00005 0.00000 0.00007 0.00000 172 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 173 3PZ -0.00003 0.00009 0.00000 0.00006 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00001 188 3PX -0.00001 -0.00001 0.00010 -0.00003 0.00006 189 3PY 0.00001 -0.00002 0.00000 0.00002 0.00000 190 3PZ 0.00000 0.00000 0.00006 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00001 0.00001 -0.00001 0.00000 205 3PX -0.00001 0.00001 0.00000 0.00000 0.00001 206 3PY 0.00000 0.00000 0.00000 -0.00001 0.00001 207 3PZ 0.00000 0.00002 0.00001 -0.00001 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05568 47 2S -0.01303 0.31926 48 2PX 0.00000 0.00000 0.35918 49 2PY 0.00000 0.00000 0.00000 0.42055 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.38844 51 3S -0.04301 0.27662 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.12383 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07432 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.11112 55 4XX -0.00101 -0.00763 0.00000 0.00000 0.00000 56 4YY -0.00130 -0.00138 0.00000 0.00000 0.00000 57 4ZZ -0.00124 -0.00297 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00030 -0.00077 -0.00045 -0.00057 62 2S -0.00030 0.00788 0.01434 0.00886 0.01088 63 2PX -0.00078 0.01386 0.00635 0.01399 0.02135 64 2PY -0.00041 0.00641 0.01358 0.00100 0.00844 65 2PZ -0.00053 0.00942 0.02140 0.00844 0.00194 66 3S 0.00054 0.00299 0.01337 0.00745 0.00960 67 3PX 0.00051 0.00086 0.00026 0.00173 0.00398 68 3PY 0.00051 0.00200 0.00515 0.00200 0.00286 69 3PZ 0.00034 -0.00069 0.00401 0.00096 0.00130 70 4XX -0.00003 0.00051 -0.00067 0.00091 0.00089 71 4YY 0.00001 -0.00027 -0.00008 -0.00037 -0.00030 72 4ZZ -0.00001 0.00004 0.00015 0.00028 -0.00043 73 4XY -0.00008 0.00110 0.00045 0.00012 0.00159 74 4XZ -0.00006 0.00079 0.00018 0.00081 -0.00009 75 4YZ -0.00007 0.00101 0.00190 0.00013 0.00015 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00007 -0.00016 0.00000 -0.00014 78 2PX 0.00000 -0.00014 -0.00015 0.00000 -0.00029 79 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 80 2PZ 0.00000 -0.00015 -0.00036 0.00000 -0.00020 81 3S 0.00010 -0.00259 -0.00360 0.00003 -0.00348 82 3PX 0.00007 -0.00159 -0.00076 0.00001 -0.00291 83 3PY 0.00000 -0.00002 -0.00006 -0.00039 -0.00006 84 3PZ 0.00006 -0.00146 -0.00285 0.00001 -0.00121 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00003 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00001 0.00002 0.00000 0.00002 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 93 8 H 1S 0.00000 -0.00018 -0.00003 -0.00052 -0.00007 94 2S 0.00021 -0.00300 -0.00045 -0.00609 -0.00122 95 9 H 1S -0.00201 0.03202 0.01165 0.02443 0.06301 96 2S -0.00093 0.01132 0.00749 0.01282 0.03868 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00011 0.00022 0.00002 0.00019 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00002 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 106 3PY 0.00000 0.00001 0.00000 0.00005 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00001 -0.00001 -0.00005 0.00000 116 2PX 0.00000 -0.00004 -0.00001 -0.00013 -0.00005 117 2PY 0.00000 -0.00003 -0.00007 -0.00012 -0.00002 118 2PZ 0.00000 -0.00003 -0.00005 -0.00006 0.00000 119 3S 0.00001 -0.00006 0.00009 -0.00186 0.00014 120 3PX 0.00006 -0.00130 -0.00011 -0.00277 -0.00104 121 3PY 0.00004 -0.00059 -0.00089 -0.00209 -0.00010 122 3PZ 0.00004 -0.00095 -0.00115 -0.00127 0.00002 123 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 124 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 126 4XY 0.00000 0.00000 0.00001 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00002 -0.00010 0.00000 0.00000 131 2PX 0.00000 -0.00006 -0.00023 -0.00001 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 134 3S 0.00003 -0.00069 -0.00216 -0.00006 -0.00014 135 3PX 0.00004 -0.00056 0.00004 0.00013 -0.00006 136 3PY 0.00000 -0.00009 -0.00016 -0.00003 0.00003 137 3PZ 0.00001 -0.00008 -0.00020 0.00011 -0.00023 138 4XX 0.00000 0.00000 0.00005 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00003 0.00021 0.00000 0.00002 146 15 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 147 2S 0.00000 -0.00005 -0.00048 -0.00011 0.00010 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00002 -0.00001 -0.00001 150 2PX 0.00000 0.00000 -0.00002 -0.00003 -0.00001 151 2PY 0.00000 -0.00001 -0.00003 -0.00002 -0.00001 152 2PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 153 3S 0.00000 -0.00003 -0.00061 0.00009 -0.00025 154 3PX 0.00000 -0.00008 -0.00076 -0.00077 -0.00047 155 3PY -0.00001 -0.00002 -0.00016 0.00038 0.00015 156 3PZ 0.00001 -0.00015 -0.00078 -0.00056 -0.00004 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 0.00001 0.00007 0.00001 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00002 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 170 3S 0.00000 -0.00001 -0.00008 -0.00011 -0.00011 171 3PX 0.00001 -0.00017 -0.00039 0.00009 -0.00107 172 3PY 0.00000 0.00000 -0.00013 -0.00001 -0.00029 173 3PZ 0.00001 -0.00018 -0.00066 -0.00013 -0.00066 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00017 0.00019 -0.00001 0.00011 184 2PX 0.00000 0.00022 0.00393 0.00020 0.00171 185 2PY 0.00000 0.00000 0.00014 -0.00004 0.00003 186 2PZ 0.00000 0.00003 0.00118 0.00005 0.00041 187 3S 0.00018 -0.00115 -0.00017 -0.00027 0.00147 188 3PX 0.00009 -0.00042 0.01076 0.00062 0.00628 189 3PY 0.00002 0.00011 0.00003 0.00059 0.00004 190 3PZ -0.00001 -0.00024 0.00604 0.00052 0.00024 191 4XX 0.00000 0.00004 0.00015 0.00002 0.00011 192 4YY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 193 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00001 194 4XY 0.00000 0.00000 0.00002 0.00001 0.00001 195 4XZ 0.00000 0.00005 0.00015 0.00002 0.00002 196 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 -0.00002 -0.00001 0.00000 198 2S 0.00002 -0.00029 -0.00100 -0.00067 -0.00032 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 201 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00001 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 -0.00001 -0.00002 0.00000 -0.00005 204 3S 0.00000 -0.00006 0.00054 0.00000 0.00012 205 3PX 0.00003 -0.00067 -0.00021 0.00000 -0.00046 206 3PY 0.00000 0.00000 0.00000 0.00002 0.00000 207 3PZ 0.00001 -0.00050 0.00030 0.00000 -0.00047 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00002 51 52 53 54 55 51 3S 0.55236 52 3PX 0.00000 0.14603 53 3PY 0.00000 0.00000 0.07151 54 3PZ 0.00000 0.00000 0.00000 0.11604 55 4XX -0.00565 0.00000 0.00000 0.00000 0.00093 56 4YY -0.00391 0.00000 0.00000 0.00000 -0.00004 57 4ZZ -0.00169 0.00000 0.00000 0.00000 0.00007 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00111 -0.00015 -0.00113 0.00030 -0.00003 62 2S -0.00103 0.00616 0.00854 0.00211 0.00057 63 2PX 0.02074 -0.00081 0.00925 0.01085 -0.00034 64 2PY 0.01426 0.00895 0.00172 0.00722 0.00042 65 2PZ 0.01511 0.01426 0.00590 -0.00214 0.00051 66 3S -0.02455 0.00660 0.00600 0.00097 0.00109 67 3PX -0.00730 0.00260 0.00242 0.00091 -0.00041 68 3PY -0.00764 0.00197 0.00028 -0.00076 0.00022 69 3PZ -0.00177 0.00411 0.00012 0.00136 0.00062 70 4XX 0.00353 -0.00091 0.00019 0.00192 0.00000 71 4YY -0.00167 0.00012 -0.00035 -0.00078 -0.00003 72 4ZZ 0.00038 0.00090 -0.00023 -0.00054 -0.00003 73 4XY 0.00143 -0.00001 0.00000 0.00052 0.00000 74 4XZ 0.00045 0.00000 0.00009 0.00003 -0.00001 75 4YZ 0.00113 0.00061 0.00001 -0.00001 -0.00006 76 6 C 1S 0.00013 0.00012 0.00000 0.00009 0.00000 77 2S -0.00287 -0.00238 0.00001 -0.00163 0.00000 78 2PX -0.00384 -0.00151 0.00005 -0.00209 0.00000 79 2PY -0.00003 -0.00001 -0.00041 -0.00001 0.00000 80 2PZ -0.00384 -0.00360 0.00004 -0.00144 0.00002 81 3S -0.02427 -0.00916 0.00001 -0.00688 0.00005 82 3PX -0.00849 -0.00104 0.00008 -0.00359 -0.00006 83 3PY -0.00001 -0.00011 -0.00287 -0.00008 0.00000 84 3PZ -0.00591 -0.00551 0.00007 -0.00113 0.00019 85 4XX 0.00013 0.00001 0.00000 0.00025 0.00000 86 4YY 0.00000 -0.00010 0.00000 -0.00007 0.00000 87 4ZZ 0.00007 0.00029 0.00000 0.00001 0.00000 88 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 89 4XZ 0.00004 0.00006 0.00000 0.00007 0.00000 90 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 92 2S -0.00040 -0.00008 -0.00002 -0.00021 0.00000 93 8 H 1S -0.00323 -0.00020 -0.00353 -0.00074 0.00000 94 2S -0.00506 -0.00093 -0.00598 -0.00293 0.00015 95 9 H 1S 0.04244 0.00669 0.00827 0.03508 -0.00082 96 2S -0.00197 0.00637 0.00645 0.03462 -0.00081 97 10 H 1S 0.00009 0.00012 0.00002 0.00009 0.00000 98 2S 0.00247 0.00208 0.00015 0.00158 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00003 0.00000 0.00000 101 2PX 0.00003 0.00000 0.00013 0.00000 0.00000 102 2PY 0.00006 0.00000 0.00013 0.00001 0.00000 103 2PZ 0.00002 -0.00001 0.00005 0.00000 0.00000 104 3S 0.00009 -0.00004 0.00025 0.00002 0.00000 105 3PX 0.00048 0.00000 0.00137 -0.00003 0.00000 106 3PY 0.00075 -0.00008 0.00109 0.00011 0.00000 107 3PZ 0.00028 -0.00012 0.00047 -0.00007 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00001 0.00000 0.00002 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 12 O 1S 0.00001 -0.00003 0.00002 -0.00002 0.00000 115 2S -0.00068 0.00023 0.00026 0.00011 0.00000 116 2PX -0.00412 -0.00006 0.00124 -0.00127 0.00000 117 2PY -0.00297 -0.00210 0.00122 -0.00132 0.00000 118 2PZ -0.00189 -0.00079 0.00049 -0.00012 0.00000 119 3S 0.00043 0.00241 -0.00225 0.00156 0.00000 120 3PX -0.01956 0.00002 0.00291 -0.00450 -0.00005 121 3PY -0.00982 -0.00553 0.00208 -0.00292 0.00002 122 3PZ -0.00927 -0.00328 0.00139 -0.00075 0.00007 123 4XX 0.00001 -0.00001 0.00005 0.00002 0.00000 124 4YY -0.00043 -0.00027 0.00027 -0.00019 0.00000 125 4ZZ 0.00012 0.00004 -0.00009 0.00000 0.00000 126 4XY -0.00026 0.00000 0.00019 -0.00006 0.00000 127 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 128 4YZ -0.00008 0.00002 0.00007 -0.00003 0.00000 129 13 C 1S 0.00003 0.00010 0.00000 0.00001 0.00000 130 2S -0.00077 -0.00190 0.00013 -0.00021 0.00001 131 2PX -0.00155 -0.00286 0.00024 -0.00043 0.00003 132 2PY 0.00020 0.00047 -0.00023 0.00002 0.00000 133 2PZ -0.00015 0.00008 0.00005 -0.00007 0.00000 134 3S -0.00414 -0.00739 0.00041 -0.00094 0.00010 135 3PX -0.00303 0.00007 0.00037 -0.00040 0.00023 136 3PY -0.00004 0.00055 -0.00055 -0.00004 0.00003 137 3PZ -0.00055 -0.00037 0.00024 -0.00038 0.00002 138 4XX 0.00018 0.00059 -0.00004 0.00008 0.00000 139 4YY -0.00001 -0.00016 0.00000 -0.00001 0.00000 140 4ZZ -0.00005 -0.00013 0.00001 -0.00001 0.00000 141 4XY 0.00002 0.00013 -0.00001 0.00002 0.00000 142 4XZ 0.00001 0.00005 0.00000 -0.00002 0.00000 143 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 144 14 H 1S 0.00002 0.00008 0.00000 0.00001 0.00000 145 2S 0.00059 0.00226 -0.00008 0.00029 -0.00001 146 15 H 1S -0.00057 -0.00056 0.00015 0.00013 0.00000 147 2S -0.00161 -0.00041 0.00006 0.00041 0.00002 148 16 C 1S 0.00000 0.00003 0.00000 0.00002 0.00000 149 2S -0.00052 -0.00096 -0.00039 -0.00062 0.00000 150 2PX -0.00015 -0.00065 -0.00046 -0.00037 0.00000 151 2PY -0.00074 -0.00088 -0.00063 -0.00032 0.00000 152 2PZ 0.00001 -0.00084 -0.00025 -0.00002 0.00000 153 3S -0.00137 -0.00338 -0.00007 -0.00207 0.00002 154 3PX 0.00048 -0.00247 -0.00102 -0.00187 -0.00003 155 3PY -0.00056 -0.00091 0.00038 0.00006 0.00002 156 3PZ -0.00070 -0.00357 -0.00175 0.00027 -0.00002 157 4XX 0.00003 0.00007 -0.00006 0.00006 0.00000 158 4YY 0.00002 -0.00008 0.00006 -0.00003 0.00000 159 4ZZ 0.00000 0.00007 -0.00002 0.00002 0.00000 160 4XY 0.00001 0.00002 0.00003 0.00001 0.00000 161 4XZ 0.00002 0.00008 -0.00002 0.00001 0.00000 162 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 163 17 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 164 2S 0.00050 0.00014 0.00115 0.00005 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00011 0.00002 -0.00003 -0.00013 0.00000 167 2PX -0.00021 -0.00049 0.00017 -0.00091 0.00000 168 2PY -0.00003 -0.00010 -0.00001 -0.00005 0.00000 169 2PZ -0.00033 -0.00040 0.00007 -0.00061 0.00000 170 3S -0.00120 -0.00054 -0.00125 -0.00078 -0.00001 171 3PX -0.00150 -0.00115 0.00087 -0.00469 0.00000 172 3PY -0.00044 -0.00089 -0.00005 -0.00111 -0.00001 173 3PZ -0.00213 -0.00329 -0.00032 -0.00267 -0.00001 174 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 175 4YY 0.00001 -0.00001 0.00001 0.00000 0.00000 176 4ZZ -0.00001 -0.00003 -0.00001 -0.00003 0.00000 177 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 179 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00013 -0.00002 -0.00013 0.00000 182 20 C 1S 0.00015 0.00013 0.00001 -0.00003 0.00000 183 2S 0.00026 -0.00087 -0.00050 0.00137 0.00005 184 2PX 0.00215 0.01103 0.00002 0.00775 0.00002 185 2PY 0.00045 0.00073 0.00095 0.00010 0.00002 186 2PZ 0.00016 0.00590 0.00001 0.00028 0.00010 187 3S 0.00009 -0.00485 -0.00075 0.00398 0.00030 188 3PX -0.00103 0.01406 0.00033 0.01234 0.00020 189 3PY -0.00029 -0.00010 0.00170 -0.00011 0.00003 190 3PZ 0.00174 0.01222 -0.00012 -0.00117 0.00035 191 4XX 0.00040 0.00080 0.00005 0.00048 0.00000 192 4YY -0.00028 -0.00048 0.00001 -0.00018 0.00000 193 4ZZ 0.00003 0.00017 0.00000 -0.00006 0.00000 194 4XY -0.00001 0.00001 0.00001 0.00002 0.00000 195 4XZ 0.00019 0.00029 0.00005 0.00002 -0.00001 196 4YZ 0.00000 0.00004 0.00002 0.00000 0.00000 197 21 H 1S -0.00050 -0.00111 0.00031 -0.00012 0.00000 198 2S -0.00547 -0.00510 0.00100 -0.00159 -0.00001 199 22 C 1S 0.00000 0.00001 0.00000 0.00002 0.00000 200 2S -0.00002 -0.00051 0.00000 -0.00048 0.00000 201 2PX -0.00062 -0.00015 0.00000 -0.00027 0.00000 202 2PY 0.00000 0.00000 -0.00002 0.00000 0.00000 203 2PZ -0.00024 -0.00111 0.00000 -0.00020 0.00000 204 3S 0.00205 0.00292 0.00000 0.00224 0.00000 205 3PX -0.00343 -0.00060 0.00001 -0.00162 0.00005 206 3PY 0.00000 0.00000 0.00037 -0.00001 0.00000 207 3PZ -0.00053 0.00020 0.00001 0.00004 0.00001 208 4XX 0.00000 -0.00001 0.00000 -0.00004 0.00000 209 4YY -0.00002 -0.00002 0.00000 -0.00004 0.00000 210 4ZZ 0.00002 0.00007 0.00000 0.00007 0.00000 211 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 212 4XZ 0.00002 0.00006 0.00000 0.00012 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00002 0.00000 -0.00003 0.00000 215 2S -0.00003 0.00019 -0.00002 -0.00019 0.00000 56 57 58 59 60 56 4YY 0.00091 57 4ZZ -0.00008 0.00090 58 4XY 0.00000 0.00000 0.00093 59 4XZ 0.00000 0.00000 0.00000 0.00064 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00124 61 5 C 1S 0.00000 -0.00001 -0.00006 -0.00006 -0.00004 62 2S -0.00026 0.00003 0.00090 0.00091 0.00061 63 2PX -0.00022 -0.00004 0.00042 0.00032 0.00097 64 2PY -0.00028 0.00001 0.00001 0.00095 0.00001 65 2PZ -0.00013 -0.00031 0.00094 0.00007 0.00011 66 3S -0.00059 0.00013 0.00028 0.00028 0.00033 67 3PX 0.00021 0.00045 0.00000 0.00000 0.00016 68 3PY 0.00014 -0.00039 -0.00008 0.00009 -0.00007 69 3PZ -0.00012 -0.00032 0.00010 0.00001 0.00002 70 4XX -0.00007 0.00001 -0.00001 -0.00001 -0.00006 71 4YY 0.00002 -0.00003 0.00000 -0.00006 0.00000 72 4ZZ -0.00004 0.00001 -0.00007 0.00001 -0.00002 73 4XY -0.00001 -0.00007 0.00002 0.00000 0.00001 74 4XZ -0.00004 0.00001 0.00000 0.00003 -0.00001 75 4YZ -0.00001 -0.00001 -0.00001 0.00002 0.00001 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00001 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00001 0.00000 0.00002 0.00000 81 3S -0.00001 0.00017 0.00000 0.00001 0.00000 82 3PX -0.00008 0.00032 0.00000 0.00006 0.00000 83 3PY 0.00000 0.00000 -0.00003 0.00000 -0.00003 84 3PZ -0.00008 0.00005 0.00000 0.00004 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00002 0.00000 0.00001 0.00000 0.00007 94 2S -0.00011 0.00009 0.00006 0.00000 0.00029 95 9 H 1S -0.00082 0.00259 0.00051 0.00090 0.00280 96 2S -0.00120 0.00297 0.00012 0.00013 0.00056 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00002 0.00000 0.00001 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00008 -0.00001 -0.00001 0.00000 0.00000 120 3PX 0.00029 0.00004 -0.00002 0.00000 0.00005 121 3PY 0.00032 -0.00008 0.00016 -0.00005 0.00005 122 3PZ 0.00006 -0.00001 0.00006 0.00001 0.00001 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 -0.00001 -0.00001 0.00000 0.00000 135 3PX -0.00002 -0.00005 0.00001 0.00000 0.00000 136 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 137 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 0.00000 0.00002 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00001 154 3PX -0.00001 -0.00001 0.00010 -0.00003 0.00006 155 3PY 0.00001 -0.00002 0.00000 0.00002 0.00000 156 3PZ 0.00000 0.00000 0.00006 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00001 0.00001 -0.00001 0.00000 171 3PX -0.00001 0.00001 0.00000 0.00000 0.00001 172 3PY 0.00000 0.00000 0.00000 -0.00001 0.00001 173 3PZ 0.00000 0.00002 0.00001 -0.00001 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00001 0.00004 0.00001 184 2PX -0.00002 0.00005 0.00004 0.00014 0.00001 185 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 186 2PZ 0.00000 -0.00001 0.00002 0.00003 0.00001 187 3S -0.00005 -0.00012 0.00003 0.00018 0.00003 188 3PX -0.00015 0.00028 0.00008 0.00026 0.00005 189 3PY 0.00000 -0.00002 0.00002 0.00002 0.00001 190 3PZ -0.00011 0.00005 0.00007 0.00002 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00005 -0.00002 0.00001 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00001 0.00004 0.00000 0.00000 0.00000 205 3PX -0.00002 0.00005 0.00000 0.00007 0.00000 206 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00002 207 3PZ -0.00003 0.00009 0.00000 0.00006 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05393 62 2S -0.01557 0.35893 63 2PX 0.00000 0.00000 0.35086 64 2PY 0.00000 0.00000 0.00000 0.42508 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.35655 66 3S -0.02739 0.20451 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.05640 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 -0.00514 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.05809 70 4XX -0.00093 -0.00981 0.00000 0.00000 0.00000 71 4YY -0.00120 -0.00270 0.00000 0.00000 0.00000 72 4ZZ -0.00093 -0.00970 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00026 -0.00049 -0.00043 -0.00073 77 2S -0.00028 0.00716 0.00884 0.00704 0.01360 78 2PX -0.00050 0.00949 0.00116 0.00852 0.01982 79 2PY -0.00046 0.00911 0.00881 0.00175 0.01424 80 2PZ -0.00073 0.01366 0.01914 0.01409 0.00750 81 3S 0.00113 -0.00317 0.01365 0.01453 0.01730 82 3PX 0.00035 0.00128 -0.00115 0.00654 0.01084 83 3PY -0.00108 0.00733 0.00670 0.00178 0.01041 84 3PZ 0.00024 0.00296 0.01048 0.01011 -0.00073 85 4XX -0.00001 0.00014 -0.00024 0.00012 0.00012 86 4YY 0.00000 -0.00020 -0.00008 -0.00032 -0.00011 87 4ZZ -0.00003 0.00057 0.00039 0.00045 -0.00040 88 4XY -0.00004 0.00062 0.00011 0.00004 0.00094 89 4XZ -0.00005 0.00076 0.00000 0.00088 0.00023 90 4YZ -0.00006 0.00093 0.00095 0.00004 0.00048 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00009 0.00008 0.00015 0.00013 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00009 0.00010 0.00012 0.00008 95 9 H 1S 0.00000 -0.00016 -0.00033 -0.00002 -0.00031 96 2S 0.00025 -0.00378 -0.00439 0.00010 -0.00468 97 10 H 1S 0.00000 -0.00015 -0.00028 -0.00002 -0.00036 98 2S 0.00025 -0.00361 -0.00428 0.00010 -0.00534 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 -0.00027 -0.00003 -0.00197 -0.00002 115 2S -0.00015 0.00376 0.00050 0.02844 0.00027 116 2PX -0.00003 0.00075 0.01505 0.00411 -0.00048 117 2PY -0.00177 0.04211 0.00405 0.09885 0.00215 118 2PZ -0.00002 0.00037 -0.00049 0.00208 0.01544 119 3S -0.00099 -0.01110 -0.00016 0.00932 -0.00011 120 3PX -0.00015 0.00108 0.02909 0.00357 -0.00053 121 3PY -0.00836 0.06336 0.00340 0.05263 0.00189 122 3PZ -0.00007 0.00057 -0.00054 0.00188 0.02851 123 4XX 0.00002 -0.00068 0.00005 -0.00080 -0.00002 124 4YY -0.00079 0.00759 0.00076 0.00902 0.00040 125 4ZZ 0.00001 -0.00070 -0.00002 -0.00090 0.00002 126 4XY -0.00004 0.00024 0.00379 0.00062 -0.00003 127 4XZ 0.00000 0.00000 0.00004 0.00002 0.00008 128 4YZ -0.00002 0.00010 -0.00003 0.00030 0.00403 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00003 0.00001 0.00000 135 3PX 0.00000 0.00000 -0.00002 0.00001 0.00000 136 3PY 0.00000 0.00001 0.00003 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00001 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 154 3PX 0.00000 0.00003 0.00000 0.00005 -0.00001 155 3PY 0.00000 -0.00001 -0.00004 -0.00001 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00003 0.00002 0.00000 -0.00001 171 3PX 0.00000 -0.00003 -0.00009 -0.00001 -0.00007 172 3PY 0.00000 0.00001 -0.00002 -0.00001 -0.00001 173 3PZ 0.00000 0.00002 0.00000 0.00001 -0.00002 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 184 2PX 0.00000 -0.00003 0.00000 -0.00001 0.00001 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S -0.00001 0.00002 -0.00054 -0.00007 -0.00008 188 3PX 0.00003 -0.00099 0.00068 -0.00017 0.00022 189 3PY 0.00000 -0.00002 0.00007 -0.00008 0.00001 190 3PZ 0.00000 -0.00008 -0.00012 0.00000 -0.00017 191 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 -0.00002 -0.00009 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 -0.00001 -0.00001 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 204 3S 0.00001 -0.00022 -0.00016 0.00005 0.00014 205 3PX 0.00001 -0.00051 -0.00054 -0.00013 -0.00001 206 3PY 0.00000 0.00002 -0.00010 0.00001 -0.00002 207 3PZ 0.00002 -0.00027 -0.00012 0.00002 0.00017 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00002 0.00008 0.00000 0.00005 66 67 68 69 70 66 3S 0.22048 67 3PX 0.00000 0.05211 68 3PY 0.00000 0.00000 0.03644 69 3PZ 0.00000 0.00000 0.00000 0.05180 70 4XX -0.00462 0.00000 0.00000 0.00000 0.00204 71 4YY -0.00426 0.00000 0.00000 0.00000 -0.00034 72 4ZZ -0.00435 0.00000 0.00000 0.00000 0.00030 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00008 0.00026 -0.00016 0.00020 0.00000 77 2S 0.00629 -0.00061 0.00445 0.00121 -0.00002 78 2PX 0.00956 0.00160 0.00363 0.00433 -0.00035 79 2PY 0.00842 0.00158 0.00200 0.00187 0.00019 80 2PZ 0.01502 0.00298 0.00642 0.00008 0.00008 81 3S -0.00861 -0.00053 -0.00371 -0.00732 0.00035 82 3PX 0.00231 0.00276 0.00017 0.00236 -0.00060 83 3PY 0.00501 0.00051 0.00063 0.00281 -0.00020 84 3PZ 0.00612 0.00291 0.00182 0.00150 0.00099 85 4XX 0.00030 -0.00029 -0.00027 0.00048 0.00000 86 4YY -0.00055 -0.00015 0.00012 0.00021 -0.00003 87 4ZZ 0.00077 0.00059 0.00003 -0.00044 0.00001 88 4XY 0.00035 0.00002 -0.00007 0.00016 -0.00001 89 4XZ 0.00024 0.00000 0.00003 0.00000 0.00000 90 4YZ 0.00044 0.00011 -0.00010 0.00000 -0.00009 91 7 H 1S 0.00009 0.00004 0.00003 0.00005 0.00000 92 2S 0.00131 0.00038 0.00031 0.00057 0.00000 93 8 H 1S 0.00008 0.00004 0.00000 0.00002 0.00000 94 2S 0.00099 0.00045 -0.00012 0.00030 0.00000 95 9 H 1S -0.00246 -0.00089 -0.00043 0.00003 0.00001 96 2S -0.00885 -0.00225 -0.00085 0.00093 0.00009 97 10 H 1S -0.00263 0.00005 -0.00052 -0.00111 0.00002 98 2S -0.01118 0.00052 -0.00117 -0.00275 0.00043 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00001 0.00000 0.00006 0.00000 0.00000 105 3PX 0.00000 0.00002 0.00000 0.00000 0.00000 106 3PY -0.00002 0.00000 -0.00016 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00152 0.00000 0.00011 0.00000 0.00001 115 2S -0.02248 -0.00017 -0.01278 -0.00001 -0.00063 116 2PX 0.00081 0.02075 -0.00030 -0.00013 0.00021 117 2PY 0.02241 0.00035 -0.00514 0.00029 -0.00137 118 2PZ 0.00017 -0.00013 -0.00005 0.02061 0.00000 119 3S -0.07475 -0.00055 -0.01897 -0.00026 -0.00225 120 3PX 0.00174 0.04686 -0.00053 -0.00020 -0.00017 121 3PY 0.04166 0.00055 -0.00168 0.00042 -0.00386 122 3PZ 0.00026 -0.00020 -0.00008 0.04604 0.00002 123 4XX -0.00042 -0.00005 0.00118 -0.00002 0.00005 124 4YY 0.00583 0.00017 -0.00178 0.00011 -0.00023 125 4ZZ -0.00051 0.00000 0.00118 -0.00002 0.00002 126 4XY 0.00007 0.00140 -0.00001 -0.00001 0.00003 127 4XZ 0.00000 0.00002 0.00000 0.00004 0.00000 128 4YZ 0.00003 -0.00001 0.00000 0.00141 -0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00001 0.00000 0.00001 0.00000 0.00000 131 2PX 0.00002 -0.00002 0.00003 0.00001 0.00000 132 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00015 0.00044 0.00009 0.00000 0.00000 135 3PX 0.00002 -0.00004 0.00024 0.00003 0.00000 136 3PY 0.00008 0.00025 0.00001 0.00001 0.00000 137 3PZ -0.00003 0.00004 -0.00002 0.00008 0.00000 138 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 146 15 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 147 2S 0.00009 0.00014 0.00009 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00000 0.00001 0.00000 0.00000 150 2PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 151 2PY 0.00000 -0.00002 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00007 -0.00021 0.00004 -0.00001 0.00000 154 3PX -0.00003 -0.00013 0.00007 -0.00004 0.00000 155 3PY 0.00001 -0.00027 -0.00005 -0.00002 0.00000 156 3PZ 0.00000 -0.00001 0.00001 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00001 0.00001 -0.00001 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00001 0.00001 0.00003 0.00000 0.00000 167 2PX 0.00000 -0.00004 -0.00008 -0.00006 0.00000 168 2PY -0.00002 -0.00001 0.00001 0.00000 0.00000 169 2PZ 0.00002 0.00001 -0.00001 -0.00001 0.00000 170 3S 0.00008 0.00012 0.00030 0.00007 0.00000 171 3PX -0.00003 -0.00029 -0.00055 -0.00043 -0.00002 172 3PY -0.00017 -0.00015 0.00006 0.00002 -0.00001 173 3PZ 0.00012 0.00000 -0.00002 -0.00004 -0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00001 -0.00003 -0.00002 0.00001 0.00000 182 20 C 1S 0.00001 0.00003 0.00000 0.00000 0.00000 183 2S -0.00024 -0.00079 -0.00006 -0.00001 0.00000 184 2PX -0.00001 0.00033 -0.00027 0.00007 0.00002 185 2PY -0.00001 -0.00010 -0.00004 0.00001 0.00000 186 2PZ 0.00004 0.00003 0.00000 0.00004 0.00000 187 3S -0.00053 -0.00382 -0.00016 -0.00016 0.00003 188 3PX 0.00046 0.00283 -0.00069 0.00028 0.00039 189 3PY -0.00003 0.00007 -0.00008 0.00004 0.00001 190 3PZ 0.00006 -0.00012 -0.00003 0.00012 0.00004 191 4XX 0.00003 0.00013 -0.00001 0.00001 0.00000 192 4YY 0.00000 -0.00004 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00004 -0.00029 -0.00001 0.00000 0.00000 198 2S -0.00025 -0.00033 -0.00015 0.00000 -0.00003 199 22 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 200 2S -0.00009 -0.00014 -0.00002 -0.00006 0.00000 201 2PX 0.00022 0.00000 -0.00031 -0.00022 0.00000 202 2PY 0.00002 -0.00004 0.00002 0.00000 0.00000 203 2PZ -0.00009 -0.00008 -0.00012 0.00000 0.00000 204 3S -0.00048 -0.00018 -0.00028 -0.00012 0.00004 205 3PX 0.00098 -0.00029 -0.00113 -0.00095 -0.00001 206 3PY -0.00002 -0.00027 0.00001 -0.00002 -0.00001 207 3PZ -0.00014 0.00040 -0.00044 0.00011 0.00002 208 4XX 0.00001 0.00002 0.00001 0.00001 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 211 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 212 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00003 -0.00001 0.00000 -0.00005 0.00000 215 2S 0.00042 0.00037 0.00000 0.00008 0.00000 71 72 73 74 75 71 4YY 0.00224 72 4ZZ -0.00029 0.00197 73 4XY 0.00000 0.00000 0.00341 74 4XZ 0.00000 0.00000 0.00000 0.00061 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00360 76 6 C 1S 0.00001 -0.00003 -0.00006 -0.00005 -0.00008 77 2S -0.00023 0.00060 0.00101 0.00073 0.00129 78 2PX -0.00010 0.00073 0.00013 -0.00007 0.00161 79 2PY -0.00042 0.00095 0.00020 0.00076 0.00021 80 2PZ -0.00019 -0.00054 0.00179 0.00015 0.00059 81 3S -0.00104 0.00290 0.00108 0.00032 0.00148 82 3PX -0.00024 0.00159 -0.00003 0.00004 0.00047 83 3PY -0.00026 0.00007 -0.00001 0.00009 0.00000 84 3PZ -0.00029 -0.00044 0.00049 0.00000 -0.00001 85 4XX -0.00002 0.00001 -0.00001 0.00000 -0.00005 86 4YY 0.00002 -0.00006 -0.00001 -0.00003 -0.00001 87 4ZZ -0.00005 0.00000 -0.00004 0.00001 -0.00001 88 4XY 0.00000 -0.00009 0.00002 0.00001 -0.00001 89 4XZ -0.00007 0.00002 0.00001 0.00003 0.00001 90 4YZ 0.00000 -0.00001 -0.00002 -0.00002 0.00003 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 0.00000 0.00001 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00001 0.00000 0.00001 0.00000 0.00000 95 9 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 96 2S -0.00018 0.00073 -0.00005 0.00015 -0.00004 97 10 H 1S -0.00001 0.00004 0.00000 0.00004 0.00000 98 2S -0.00022 0.00034 -0.00004 0.00013 -0.00005 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00072 0.00001 -0.00003 0.00000 -0.00001 115 2S 0.00793 -0.00062 0.00036 0.00002 0.00015 116 2PX 0.00061 0.00000 0.00613 0.00003 0.00012 117 2PY 0.00192 -0.00143 0.00072 0.00004 0.00025 118 2PZ 0.00025 0.00009 0.00012 0.00010 0.00684 119 3S 0.01144 -0.00225 0.00018 0.00001 0.00007 120 3PX 0.00055 0.00006 0.00682 0.00003 0.00006 121 3PY 0.00112 -0.00429 0.00018 0.00002 0.00006 122 3PZ 0.00022 -0.00007 0.00006 0.00010 0.00737 123 4XX -0.00010 0.00002 0.00002 0.00000 0.00000 124 4YY -0.00008 -0.00025 0.00008 0.00000 0.00003 125 4ZZ -0.00011 0.00006 0.00000 0.00000 0.00001 126 4XY 0.00006 -0.00001 0.00054 0.00001 0.00000 127 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 128 4YZ 0.00002 0.00001 0.00000 0.00002 0.00060 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX 0.00001 0.00001 -0.00001 0.00000 -0.00001 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 -0.00002 0.00001 0.00001 0.00000 188 3PX -0.00004 -0.00012 0.00001 0.00002 0.00001 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ -0.00001 0.00000 0.00000 -0.00001 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00001 0.00000 0.00002 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00001 0.00001 0.00001 0.00001 0.00001 205 3PX 0.00001 0.00000 0.00000 0.00006 0.00001 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ -0.00001 0.00001 0.00000 0.00001 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05475 77 2S -0.01447 0.33271 78 2PX 0.00000 0.00000 0.36086 79 2PY 0.00000 0.00000 0.00000 0.44125 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.37300 81 3S -0.03653 0.25913 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.10876 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.06839 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.10537 85 4XX -0.00118 -0.00616 0.00000 0.00000 0.00000 86 4YY -0.00144 -0.00041 0.00000 0.00000 0.00000 87 4ZZ -0.00126 -0.00467 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00021 -0.00005 -0.00064 -0.00008 92 2S 0.00021 -0.00302 -0.00085 -0.00723 -0.00121 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 -0.00001 0.00001 0.00000 -0.00002 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00012 0.00021 0.00003 0.00020 97 10 H 1S -0.00203 0.03238 0.03260 0.02842 0.03885 98 2S -0.00099 0.01091 0.02045 0.01518 0.02409 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00001 0.00000 0.00003 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00001 -0.00001 106 3PY 0.00000 0.00002 0.00001 0.00007 0.00000 107 3PZ 0.00000 0.00001 -0.00001 0.00002 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00002 0.00000 -0.00006 -0.00002 116 2PX 0.00000 -0.00002 0.00000 -0.00006 -0.00003 117 2PY 0.00000 -0.00004 -0.00003 -0.00016 -0.00008 118 2PZ 0.00000 -0.00005 -0.00004 -0.00015 -0.00002 119 3S 0.00000 -0.00005 0.00017 -0.00222 0.00014 120 3PX 0.00003 -0.00084 0.00011 -0.00123 -0.00080 121 3PY 0.00004 -0.00084 -0.00020 -0.00276 -0.00100 122 3PZ 0.00006 -0.00155 -0.00080 -0.00300 -0.00021 123 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 124 4YY 0.00000 -0.00001 0.00000 0.00002 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 127 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 128 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00007 0.00000 0.00001 155 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00001 -0.00001 0.00000 171 3PX 0.00000 -0.00006 0.00000 -0.00001 0.00001 172 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00001 0.00000 -0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 -0.00001 -0.00006 0.00000 0.00000 188 3PX 0.00000 0.00000 -0.00019 0.00000 0.00004 189 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 -0.00001 0.00009 0.00000 0.00000 205 3PX 0.00000 -0.00016 0.00017 0.00000 0.00004 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00007 0.00000 -0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00003 0.00000 0.00003 81 82 83 84 85 81 3S 0.46611 82 3PX 0.00000 0.11496 83 3PY 0.00000 0.00000 0.06208 84 3PZ 0.00000 0.00000 0.00000 0.10580 85 4XX -0.00366 0.00000 0.00000 0.00000 0.00068 86 4YY -0.00280 0.00000 0.00000 0.00000 -0.00004 87 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00014 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00358 -0.00029 -0.00303 -0.00051 0.00000 92 2S -0.00543 -0.00154 -0.00623 -0.00201 0.00012 93 8 H 1S 0.00000 0.00000 0.00001 -0.00001 0.00000 94 2S -0.00028 0.00006 -0.00002 -0.00026 0.00000 95 9 H 1S 0.00008 0.00009 0.00003 0.00010 0.00000 96 2S 0.00231 0.00172 0.00023 0.00147 -0.00001 97 10 H 1S 0.04278 0.01618 0.00928 0.01972 0.00021 98 2S 0.00482 0.01602 0.00680 0.01826 0.00096 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 0.00000 0.00003 -0.00001 0.00000 101 2PX 0.00001 -0.00001 0.00005 -0.00002 0.00000 102 2PY 0.00009 0.00002 0.00017 -0.00001 0.00000 103 2PZ 0.00004 -0.00001 0.00015 0.00000 0.00000 104 3S 0.00006 -0.00002 0.00034 -0.00004 0.00000 105 3PX 0.00021 -0.00020 0.00050 -0.00017 0.00000 106 3PY 0.00104 0.00021 0.00139 -0.00010 0.00000 107 3PZ 0.00059 -0.00012 0.00145 -0.00002 0.00000 108 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 109 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00001 0.00000 0.00002 0.00000 0.00000 114 12 O 1S 0.00001 -0.00002 0.00001 -0.00004 0.00000 115 2S -0.00066 0.00018 0.00054 0.00021 0.00000 116 2PX -0.00154 0.00005 0.00038 -0.00038 0.00000 117 2PY -0.00352 -0.00127 0.00166 -0.00272 0.00000 118 2PZ -0.00400 -0.00075 0.00162 -0.00008 0.00000 119 3S 0.00073 0.00172 -0.00223 0.00285 0.00000 120 3PX -0.00765 0.00022 0.00100 -0.00176 -0.00001 121 3PY -0.01265 -0.00293 0.00284 -0.00710 -0.00008 122 3PZ -0.01873 -0.00275 0.00413 0.00017 0.00003 123 4XX 0.00011 0.00000 -0.00010 0.00002 0.00000 124 4YY -0.00053 -0.00020 0.00037 -0.00036 0.00000 125 4ZZ 0.00001 0.00003 0.00004 -0.00001 0.00000 126 4XY -0.00005 -0.00002 0.00006 0.00003 0.00000 127 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 128 4YZ -0.00026 -0.00002 0.00023 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00001 0.00000 0.00000 0.00000 135 3PX 0.00001 0.00008 -0.00001 -0.00001 0.00000 136 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 137 3PZ 0.00001 0.00002 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 -0.00003 0.00000 0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00006 -0.00008 0.00001 0.00000 0.00000 154 3PX -0.00019 -0.00075 -0.00008 0.00016 0.00000 155 3PY -0.00009 -0.00013 -0.00001 0.00000 0.00000 156 3PZ 0.00002 0.00003 -0.00002 0.00002 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00001 -0.00001 -0.00002 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00001 -0.00006 -0.00001 -0.00001 0.00000 167 2PX 0.00001 0.00001 0.00001 -0.00002 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 170 3S -0.00010 -0.00004 0.00000 0.00003 0.00000 171 3PX 0.00000 0.00075 -0.00005 0.00005 0.00000 172 3PY 0.00004 0.00014 0.00000 0.00001 0.00000 173 3PZ -0.00002 0.00012 0.00001 -0.00007 0.00000 174 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 181 2S 0.00005 0.00005 0.00005 -0.00001 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00002 0.00000 0.00000 0.00000 184 2PX 0.00005 -0.00010 0.00000 0.00002 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S -0.00011 -0.00053 -0.00007 -0.00001 0.00000 188 3PX 0.00083 -0.00133 -0.00008 0.00030 0.00001 189 3PY 0.00007 -0.00004 0.00004 0.00001 0.00000 190 3PZ -0.00005 -0.00005 -0.00001 0.00004 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00009 0.00001 -0.00003 0.00002 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00002 -0.00010 0.00000 -0.00002 0.00000 201 2PX 0.00013 0.00017 0.00000 -0.00001 0.00000 202 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 203 2PZ 0.00002 0.00002 0.00000 0.00001 0.00000 204 3S 0.00022 0.00073 0.00000 -0.00004 0.00000 205 3PX 0.00104 0.00180 -0.00001 0.00018 0.00000 206 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 207 3PZ 0.00011 0.00039 0.00000 -0.00006 0.00000 208 4XX 0.00000 0.00002 0.00000 0.00000 0.00000 209 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 210 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 215 2S -0.00015 0.00035 0.00004 0.00027 0.00000 86 87 88 89 90 86 4YY 0.00077 87 4ZZ -0.00007 0.00072 88 4XY 0.00000 0.00000 0.00111 89 4XZ 0.00000 0.00000 0.00000 0.00067 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00126 91 7 H 1S 0.00002 0.00000 0.00005 0.00000 0.00005 92 2S -0.00012 0.00014 0.00019 0.00000 0.00022 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S -0.00060 0.00043 0.00166 0.00174 0.00206 98 2S -0.00097 0.00106 0.00035 0.00026 0.00044 99 11 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00002 0.00000 0.00000 0.00000 0.00001 118 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 119 3S 0.00006 -0.00001 0.00000 0.00000 -0.00001 120 3PX 0.00005 0.00004 0.00004 0.00000 0.00008 121 3PY 0.00037 -0.00001 0.00002 -0.00005 0.00019 122 3PZ 0.00025 -0.00005 0.00008 0.00000 -0.00003 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX -0.00001 0.00000 0.00000 0.00001 0.00000 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21482 92 2S 0.10332 0.14022 93 8 H 1S 0.00000 0.00000 0.21431 94 2S 0.00000 -0.00015 0.10262 0.13785 95 9 H 1S 0.00000 0.00000 -0.00001 -0.00093 0.21431 96 2S 0.00000 0.00002 -0.00093 -0.00487 0.10262 97 10 H 1S -0.00001 -0.00091 0.00000 0.00000 0.00000 98 2S -0.00091 -0.00512 0.00000 0.00002 0.00000 99 11 O 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 100 2S 0.00000 0.00016 0.00000 0.00013 0.00000 101 2PX 0.00000 0.00042 0.00000 0.00034 0.00000 102 2PY 0.00000 -0.00060 0.00000 -0.00057 0.00000 103 2PZ 0.00000 0.00035 0.00000 0.00047 0.00000 104 3S -0.00017 0.00044 -0.00013 0.00056 0.00000 105 3PX -0.00004 0.00240 0.00000 0.00221 0.00000 106 3PY -0.00020 -0.00275 -0.00022 -0.00271 0.00000 107 3PZ -0.00023 0.00227 -0.00025 0.00261 0.00000 108 4XX 0.00000 0.00004 0.00000 0.00002 0.00000 109 4YY 0.00000 -0.00011 0.00000 -0.00010 0.00000 110 4ZZ 0.00000 0.00005 0.00000 0.00004 0.00000 111 4XY 0.00000 0.00000 0.00000 -0.00002 0.00000 112 4XZ 0.00000 0.00001 0.00000 0.00001 0.00000 113 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 -0.00001 0.00000 -0.00001 -0.00013 120 3PX 0.00000 -0.00001 0.00000 -0.00002 0.00000 121 3PY 0.00000 -0.00003 0.00000 -0.00002 -0.00022 122 3PZ 0.00000 -0.00002 0.00000 -0.00001 -0.00025 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 -0.00008 0.00000 131 2PX 0.00000 0.00000 0.00000 -0.00015 0.00000 132 2PY 0.00000 0.00000 0.00000 -0.00016 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 134 3S 0.00000 0.00000 -0.00012 -0.00023 -0.00012 135 3PX 0.00000 0.00000 -0.00012 -0.00038 -0.00012 136 3PY 0.00000 0.00000 -0.00015 -0.00057 -0.00015 137 3PZ 0.00000 0.00000 -0.00037 -0.00079 -0.00037 138 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 141 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00001 0.00004 0.00001 146 15 H 1S 0.00000 0.00000 0.00000 0.00003 0.00000 147 2S 0.00000 0.00000 0.00020 0.00128 0.00020 148 16 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 149 2S 0.00000 0.00000 -0.00002 -0.00031 0.00000 150 2PX 0.00000 0.00000 -0.00001 -0.00018 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 -0.00005 -0.00112 0.00000 153 3S 0.00000 0.00001 -0.00098 -0.00381 0.00001 154 3PX 0.00000 -0.00006 -0.00065 -0.00146 0.00005 155 3PY 0.00000 0.00000 0.00002 0.00002 -0.00006 156 3PZ 0.00000 0.00001 0.00013 -0.00024 0.00005 157 4XX 0.00000 0.00000 0.00000 -0.00003 0.00000 158 4YY 0.00000 0.00000 0.00000 -0.00002 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00012 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00001 0.00004 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 -0.00017 0.00000 164 2S 0.00000 0.00000 -0.00016 0.00017 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00003 0.00000 167 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00007 0.00000 170 3S 0.00000 -0.00004 0.00002 0.00026 0.00000 171 3PX 0.00000 -0.00004 -0.00003 -0.00014 0.00000 172 3PY 0.00000 -0.00001 0.00001 0.00011 0.00001 173 3PZ 0.00000 0.00000 0.00002 0.00042 0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00006 0.00000 -0.00005 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00001 -0.00002 184 2PX 0.00000 0.00000 0.00000 0.00004 -0.00001 185 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00004 -0.00005 187 3S 0.00000 0.00000 0.00001 0.00003 -0.00098 188 3PX 0.00000 0.00001 0.00005 0.00041 -0.00065 189 3PY 0.00000 0.00000 -0.00006 -0.00049 0.00002 190 3PZ 0.00000 0.00000 0.00005 0.00045 0.00013 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00007 -0.00016 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 204 3S 0.00000 0.00001 0.00000 0.00008 0.00002 205 3PX 0.00000 0.00005 0.00000 0.00012 -0.00003 206 3PY 0.00000 0.00000 0.00001 0.00014 0.00001 207 3PZ 0.00000 0.00000 0.00001 0.00022 0.00002 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.13785 97 10 H 1S 0.00000 0.21482 98 2S -0.00015 0.10331 0.14022 99 11 O 1S 0.00000 0.00000 0.00000 2.07870 100 2S 0.00000 0.00000 0.00000 -0.04263 0.50228 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00001 0.00000 -0.00001 -0.04096 0.45744 105 3PX -0.00002 0.00000 -0.00001 0.00000 0.00000 106 3PY -0.00002 0.00000 -0.00003 0.00000 0.00000 107 3PZ -0.00001 0.00000 -0.00002 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00042 -0.00520 109 4YY 0.00000 0.00000 0.00000 -0.00035 -0.00609 110 4ZZ 0.00000 0.00000 0.00000 -0.00041 -0.00532 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S -0.00001 0.00000 -0.00001 0.00000 0.00000 115 2S 0.00013 0.00000 0.00016 0.00000 0.00000 116 2PX 0.00034 0.00000 0.00042 0.00000 0.00000 117 2PY -0.00057 0.00000 -0.00060 0.00000 0.00000 118 2PZ 0.00047 0.00000 0.00035 0.00000 0.00000 119 3S 0.00056 -0.00017 0.00044 0.00000 0.00000 120 3PX 0.00221 -0.00004 0.00240 0.00000 0.00000 121 3PY -0.00271 -0.00020 -0.00275 0.00000 0.00000 122 3PZ 0.00261 -0.00023 0.00227 0.00000 0.00000 123 4XX 0.00002 0.00000 0.00004 0.00000 0.00000 124 4YY -0.00010 0.00000 -0.00011 0.00000 0.00000 125 4ZZ 0.00004 0.00000 0.00005 0.00000 0.00000 126 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00008 0.00000 0.00000 0.00000 0.00000 131 2PX -0.00015 0.00000 0.00000 0.00000 0.00000 132 2PY -0.00016 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 134 3S -0.00023 0.00000 0.00000 0.00000 0.00000 135 3PX -0.00039 0.00000 0.00000 0.00000 0.00000 136 3PY -0.00057 0.00000 0.00000 0.00000 0.00000 137 3PZ -0.00079 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 139 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 141 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00004 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 147 2S 0.00128 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00001 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00004 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00004 0.00000 0.00000 0.00000 0.00000 153 3S 0.00003 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00041 0.00000 0.00001 0.00000 0.00006 155 3PY -0.00049 0.00000 0.00000 0.00000 -0.00001 156 3PZ 0.00045 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00007 0.00000 0.00000 0.00000 0.00002 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 170 3S 0.00008 0.00000 0.00001 0.00000 0.00000 171 3PX 0.00012 0.00000 0.00005 0.00000 0.00000 172 3PY 0.00014 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00022 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 183 2S -0.00031 0.00000 0.00000 0.00000 0.00000 184 2PX -0.00018 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ -0.00112 0.00000 0.00000 0.00000 0.00000 187 3S -0.00381 0.00000 0.00001 0.00000 0.00000 188 3PX -0.00146 0.00000 -0.00006 0.00000 0.00000 189 3PY 0.00002 0.00000 0.00000 0.00000 0.00000 190 3PZ -0.00024 0.00000 0.00001 0.00000 0.00000 191 4XX -0.00003 0.00000 0.00000 0.00000 0.00000 192 4YY -0.00002 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00012 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00004 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00017 0.00000 0.00000 0.00000 0.00000 198 2S 0.00017 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00003 0.00000 0.00000 0.00000 0.00000 201 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00007 0.00000 0.00000 0.00000 0.00000 204 3S 0.00026 0.00000 -0.00004 0.00000 0.00000 205 3PX -0.00014 0.00000 -0.00004 0.00000 0.00000 206 3PY 0.00011 0.00000 -0.00001 0.00000 0.00000 207 3PZ 0.00042 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00005 0.00000 0.00006 0.00000 0.00000 101 102 103 104 105 101 2PX 0.68659 102 2PY 0.00000 0.60049 103 2PZ 0.00000 0.00000 0.70008 104 3S 0.00000 0.00000 0.00000 0.76575 105 3PX 0.23519 0.00000 0.00000 0.00000 0.32257 106 3PY 0.00000 0.16423 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.24003 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00710 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.01650 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00724 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00001 0.00005 135 3PX 0.00000 0.00000 0.00000 0.00001 0.00003 136 3PY 0.00000 0.00000 0.00000 0.00001 0.00004 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 150 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00021 151 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 153 3S -0.00008 0.00004 0.00000 -0.00023 -0.00078 154 3PX -0.00006 0.00002 -0.00005 -0.00027 -0.00066 155 3PY -0.00005 -0.00001 0.00001 0.00005 -0.00038 156 3PZ -0.00005 0.00000 0.00001 -0.00006 -0.00036 157 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00022 -0.00001 0.00000 0.00030 0.00202 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00002 -0.00001 -0.00001 -0.00005 -0.00032 171 3PX -0.00001 0.00001 -0.00002 -0.00028 -0.00009 172 3PY 0.00001 0.00000 0.00000 0.00000 0.00009 173 3PZ -0.00001 -0.00001 0.00000 -0.00007 -0.00013 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00001 0.00000 -0.00001 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 189 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00001 205 3PX 0.00000 0.00000 0.00000 -0.00001 0.00002 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 3PY 0.18078 107 3PZ 0.00000 0.32940 108 4XX 0.00000 0.00000 0.00051 109 4YY 0.00000 0.00000 -0.00006 0.00322 110 4ZZ 0.00000 0.00000 0.00014 -0.00005 0.00049 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00001 -0.00003 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00032 -0.00004 0.00000 0.00001 0.00000 154 3PX -0.00003 -0.00040 0.00003 0.00001 0.00000 155 3PY -0.00006 0.00010 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00017 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00005 -0.00002 0.00000 -0.00001 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S -0.00006 -0.00009 0.00000 0.00000 0.00000 171 3PX -0.00003 -0.00026 0.00001 0.00000 0.00000 172 3PY 0.00001 0.00001 0.00000 0.00000 0.00000 173 3PZ -0.00010 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00003 0.00008 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 189 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX -0.00001 0.00002 0.00000 0.00000 0.00000 206 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 4XY 0.00188 112 4XZ 0.00000 0.00009 113 4YZ 0.00000 0.00000 0.00187 114 12 O 1S 0.00000 0.00000 0.00000 2.07870 115 2S 0.00000 0.00000 0.00000 -0.04263 0.50228 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 -0.04096 0.45743 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00042 -0.00520 124 4YY 0.00000 0.00000 0.00000 -0.00035 -0.00609 125 4ZZ 0.00000 0.00000 0.00000 -0.00041 -0.00532 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00001 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00006 189 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 190 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 0.00000 0.00002 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S 0.00000 0.00000 0.00000 0.00000 0.00000 205 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 206 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 2PX 0.68661 117 2PY 0.00000 0.60050 118 2PZ 0.00000 0.00000 0.70006 119 3S 0.00000 0.00000 0.00000 0.76574 120 3PX 0.23518 0.00000 0.00000 0.00000 0.32256 121 3PY 0.00000 0.16423 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.24002 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00710 0.00000 124 4YY 0.00000 0.00000 0.00000 -0.01650 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00724 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00001 0.00005 135 3PX 0.00000 0.00000 0.00000 0.00001 0.00003 136 3PY 0.00000 0.00000 0.00000 0.00001 0.00004 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00001 171 3PX 0.00000 0.00000 0.00000 -0.00001 0.00002 172 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 184 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00021 185 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 186 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 187 3S -0.00008 0.00004 0.00000 -0.00023 -0.00078 188 3PX -0.00006 0.00002 -0.00005 -0.00027 -0.00066 189 3PY -0.00005 -0.00001 0.00001 0.00005 -0.00038 190 3PZ -0.00005 0.00000 0.00001 -0.00006 -0.00036 191 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00022 -0.00001 0.00000 0.00030 0.00202 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00002 -0.00001 -0.00001 -0.00005 -0.00032 205 3PX -0.00001 0.00001 -0.00002 -0.00028 -0.00009 206 3PY 0.00001 0.00000 0.00000 0.00000 0.00009 207 3PZ -0.00001 -0.00001 0.00000 -0.00007 -0.00013 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00001 0.00000 -0.00001 121 122 123 124 125 121 3PY 0.18080 122 3PZ 0.00000 0.32939 123 4XX 0.00000 0.00000 0.00051 124 4YY 0.00000 0.00000 -0.00006 0.00322 125 4ZZ 0.00000 0.00000 0.00014 -0.00005 0.00049 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00001 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 3S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3PX -0.00001 0.00002 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 2PX 0.00001 -0.00003 0.00000 0.00000 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 3S 0.00032 -0.00004 0.00000 0.00001 0.00000 188 3PX -0.00003 -0.00040 0.00003 0.00001 0.00000 189 3PY -0.00006 0.00010 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00017 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S -0.00005 -0.00002 0.00000 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 0.00000 201 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 3S -0.00006 -0.00009 0.00000 0.00000 0.00000 205 3PX -0.00003 -0.00026 0.00001 0.00000 0.00000 206 3PY 0.00001 0.00001 0.00000 0.00000 0.00000 207 3PZ -0.00010 0.00000 0.00000 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00003 0.00008 0.00000 0.00000 0.00000 126 127 128 129 130 126 4XY 0.00188 127 4XZ 0.00000 0.00009 128 4YZ 0.00000 0.00000 0.00187 129 13 C 1S 0.00000 0.00000 0.00000 2.05187 130 2S 0.00000 0.00000 0.00000 -0.01211 0.31100 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 -0.03511 0.23760 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00137 -0.00114 139 4YY 0.00000 0.00000 0.00000 -0.00112 -0.00570 140 4ZZ 0.00000 0.00000 0.00000 -0.00146 0.00043 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00000 0.00000 -0.00160 0.02653 145 2S 0.00000 0.00000 0.00000 -0.00024 0.00613 146 15 H 1S 0.00000 0.00000 0.00000 -0.00182 0.02934 147 2S 0.00000 0.00000 0.00000 -0.00076 0.01040 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 149 2S 0.00000 0.00000 0.00000 -0.00019 0.00531 150 2PX 0.00000 0.00000 0.00000 -0.00026 0.00468 151 2PY 0.00000 0.00000 0.00000 -0.00075 0.01423 152 2PZ 0.00000 0.00000 0.00000 -0.00032 0.00662 153 3S 0.00000 0.00000 0.00000 -0.00002 0.00557 154 3PX 0.00000 0.00000 0.00000 -0.00012 0.00210 155 3PY 0.00000 0.00000 0.00000 -0.00075 0.00991 156 3PZ 0.00000 0.00000 0.00000 -0.00009 0.00281 157 4XX 0.00000 0.00000 0.00000 0.00000 -0.00005 158 4YY 0.00000 0.00000 0.00000 -0.00003 0.00074 159 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00024 160 4XY 0.00000 0.00000 0.00000 -0.00005 0.00077 161 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00030 162 4YZ 0.00000 0.00000 0.00000 -0.00005 0.00089 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00008 164 2S 0.00000 0.00000 0.00000 0.00009 -0.00158 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 167 2PX 0.00000 0.00000 0.00000 0.00000 -0.00018 168 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 169 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00027 170 3S 0.00000 0.00000 0.00000 0.00013 -0.00244 171 3PX 0.00000 0.00000 0.00000 0.00009 -0.00176 172 3PY 0.00000 0.00000 0.00000 0.00001 -0.00009 173 3PZ 0.00000 0.00000 0.00000 0.00014 -0.00166 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00012 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 183 2S 0.00000 0.00000 0.00000 -0.00019 0.00531 184 2PX 0.00000 0.00000 0.00000 -0.00026 0.00469 185 2PY 0.00000 0.00000 0.00000 -0.00075 0.01421 186 2PZ 0.00000 0.00000 0.00000 -0.00032 0.00663 187 3S -0.00001 0.00000 0.00000 -0.00002 0.00556 188 3PX 0.00000 0.00000 0.00000 -0.00012 0.00210 189 3PY 0.00000 0.00000 0.00000 -0.00075 0.00991 190 3PZ 0.00000 0.00000 0.00000 -0.00009 0.00281 191 4XX 0.00000 0.00000 0.00000 0.00000 -0.00005 192 4YY 0.00000 0.00000 0.00000 -0.00003 0.00074 193 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00024 194 4XY 0.00000 0.00000 0.00000 -0.00005 0.00077 195 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00030 196 4YZ 0.00000 0.00000 0.00000 -0.00005 0.00089 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00008 198 2S 0.00000 0.00000 0.00000 0.00009 -0.00158 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 201 2PX 0.00000 0.00000 0.00000 0.00000 -0.00018 202 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 203 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00027 204 3S 0.00000 0.00000 0.00000 0.00013 -0.00244 205 3PX 0.00000 0.00000 0.00000 0.00009 -0.00176 206 3PY 0.00000 0.00000 0.00000 0.00001 -0.00009 207 3PZ 0.00000 0.00000 0.00000 0.00014 -0.00166 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 0.00000 0.00000 0.00012 131 132 133 134 135 131 2PX 0.39924 132 2PY 0.00000 0.37725 133 2PZ 0.00000 0.00000 0.41347 134 3S 0.00000 0.00000 0.00000 0.32791 135 3PX 0.10379 0.00000 0.00000 0.00000 0.09215 136 3PY 0.00000 0.09977 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.10177 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00146 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00439 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00170 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.08876 0.00000 0.00661 0.03149 0.05937 145 2S 0.05497 0.00000 0.00384 -0.00237 0.05478 146 15 H 1S 0.00038 0.00000 0.09846 0.03831 0.00029 147 2S 0.00020 0.00000 0.05911 0.01741 0.00041 148 16 C 1S -0.00032 -0.00084 -0.00028 0.00021 -0.00035 149 2S 0.00638 0.01743 0.00515 0.00379 0.00504 150 2PX -0.00005 0.01476 0.00480 0.00755 -0.00238 151 2PY 0.01237 0.02246 0.01140 0.02017 0.00697 152 2PZ 0.00624 0.01722 0.00013 0.00525 0.00290 153 3S 0.00722 0.01278 0.00661 -0.01282 0.00327 154 3PX -0.00095 0.00847 0.00174 0.00460 -0.00371 155 3PY 0.00496 0.00221 0.00458 0.00901 0.00217 156 3PZ 0.00258 0.00992 -0.00163 -0.00061 0.00126 157 4XX -0.00017 0.00015 0.00007 -0.00001 -0.00054 158 4YY 0.00090 -0.00091 0.00084 0.00050 0.00038 159 4ZZ -0.00012 -0.00018 -0.00021 -0.00009 0.00014 160 4XY -0.00001 0.00077 0.00061 0.00052 -0.00002 161 4XZ -0.00001 0.00041 -0.00001 0.00012 0.00008 162 4YZ 0.00062 0.00074 0.00000 0.00062 0.00019 163 17 H 1S -0.00002 -0.00037 -0.00002 -0.00269 -0.00042 164 2S -0.00032 -0.00657 -0.00019 -0.00902 -0.00126 165 18 C 1S 0.00000 0.00000 0.00000 0.00015 0.00008 166 2S -0.00012 -0.00004 -0.00041 -0.00274 -0.00125 167 2PX 0.00005 0.00004 -0.00026 -0.00015 -0.00009 168 2PY -0.00006 0.00000 -0.00008 -0.00200 -0.00095 169 2PZ -0.00032 -0.00027 -0.00051 -0.00349 -0.00278 170 3S -0.00150 0.00143 -0.00484 -0.00821 -0.00269 171 3PX -0.00003 0.00032 -0.00199 -0.00027 -0.00236 172 3PY 0.00001 -0.00112 0.00051 -0.00252 -0.00069 173 3PZ -0.00154 0.00037 -0.00219 -0.00460 -0.00377 174 4XX 0.00000 0.00000 0.00002 0.00014 0.00002 175 4YY 0.00000 0.00000 -0.00001 -0.00015 -0.00008 176 4ZZ 0.00006 0.00003 0.00009 0.00038 0.00029 177 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 178 4XZ 0.00001 0.00002 0.00006 0.00013 0.00000 179 4YZ 0.00002 0.00000 0.00004 0.00007 0.00003 180 19 H 1S 0.00000 0.00000 0.00000 0.00012 0.00008 181 2S 0.00011 0.00014 0.00025 0.00188 0.00088 182 20 C 1S -0.00032 -0.00084 -0.00028 0.00021 -0.00035 183 2S 0.00640 0.01742 0.00515 0.00379 0.00505 184 2PX -0.00005 0.01477 0.00481 0.00756 -0.00238 185 2PY 0.01239 0.02240 0.01140 0.02015 0.00698 186 2PZ 0.00626 0.01721 0.00013 0.00526 0.00291 187 3S 0.00724 0.01276 0.00661 -0.01281 0.00328 188 3PX -0.00095 0.00847 0.00175 0.00461 -0.00372 189 3PY 0.00496 0.00219 0.00457 0.00900 0.00218 190 3PZ 0.00259 0.00991 -0.00163 -0.00060 0.00126 191 4XX -0.00017 0.00015 0.00007 -0.00001 -0.00054 192 4YY 0.00090 -0.00091 0.00083 0.00050 0.00038 193 4ZZ -0.00012 -0.00018 -0.00021 -0.00009 0.00014 194 4XY -0.00001 0.00077 0.00062 0.00052 -0.00002 195 4XZ -0.00001 0.00041 -0.00001 0.00012 0.00008 196 4YZ 0.00062 0.00074 0.00000 0.00062 0.00019 197 21 H 1S -0.00002 -0.00037 -0.00002 -0.00269 -0.00042 198 2S -0.00032 -0.00657 -0.00019 -0.00902 -0.00126 199 22 C 1S 0.00000 0.00000 0.00000 0.00015 0.00008 200 2S -0.00012 -0.00004 -0.00041 -0.00274 -0.00125 201 2PX 0.00006 0.00004 -0.00026 -0.00015 -0.00008 202 2PY -0.00006 0.00000 -0.00008 -0.00200 -0.00095 203 2PZ -0.00032 -0.00027 -0.00051 -0.00349 -0.00279 204 3S -0.00150 0.00143 -0.00484 -0.00821 -0.00269 205 3PX -0.00003 0.00033 -0.00199 -0.00028 -0.00235 206 3PY 0.00001 -0.00112 0.00051 -0.00251 -0.00069 207 3PZ -0.00154 0.00037 -0.00219 -0.00460 -0.00378 208 4XX 0.00000 0.00000 0.00002 0.00014 0.00002 209 4YY 0.00000 0.00000 -0.00001 -0.00015 -0.00008 210 4ZZ 0.00006 0.00003 0.00009 0.00038 0.00029 211 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 212 4XZ 0.00001 0.00002 0.00006 0.00013 0.00000 213 4YZ 0.00002 0.00000 0.00004 0.00007 0.00003 214 23 H 1S 0.00000 0.00000 0.00000 0.00012 0.00008 215 2S 0.00011 0.00014 0.00025 0.00188 0.00088 136 137 138 139 140 136 3PY 0.08713 137 3PZ 0.00000 0.08815 138 4XX 0.00000 0.00000 0.00181 139 4YY 0.00000 0.00000 -0.00010 0.00134 140 4ZZ 0.00000 0.00000 -0.00027 -0.00017 0.00194 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 0.00418 0.00641 -0.00090 -0.00086 145 2S 0.00000 0.00390 0.00599 -0.00194 -0.00228 146 15 H 1S 0.00000 0.05906 -0.00094 -0.00101 0.00743 147 2S 0.00000 0.05019 -0.00270 -0.00218 0.00652 148 16 C 1S -0.00069 -0.00018 0.00001 -0.00004 0.00000 149 2S 0.01116 0.00333 -0.00028 0.00096 -0.00012 150 2PX 0.01036 0.00385 -0.00008 0.00052 -0.00009 151 2PY 0.00397 0.00610 -0.00017 -0.00063 0.00000 152 2PZ 0.01159 -0.00102 -0.00009 0.00092 -0.00017 153 3S 0.00222 0.00105 -0.00033 0.00207 -0.00110 154 3PX 0.00823 0.00230 -0.00035 0.00043 0.00006 155 3PY -0.00192 0.00110 0.00020 -0.00035 -0.00041 156 3PZ 0.00799 -0.00033 -0.00005 0.00059 -0.00039 157 4XX 0.00046 0.00013 0.00002 -0.00006 -0.00003 158 4YY -0.00073 0.00031 -0.00004 0.00007 -0.00006 159 4ZZ -0.00017 -0.00044 -0.00002 -0.00008 0.00003 160 4XY 0.00007 0.00018 0.00000 -0.00002 -0.00002 161 4XZ 0.00008 0.00007 0.00000 -0.00001 0.00000 162 4YZ 0.00008 0.00000 -0.00002 -0.00001 0.00000 163 17 H 1S -0.00382 -0.00033 0.00000 0.00005 0.00000 164 2S -0.01209 -0.00085 -0.00003 0.00040 -0.00010 165 18 C 1S 0.00002 0.00020 0.00000 0.00000 0.00000 166 2S -0.00055 -0.00284 0.00000 0.00000 0.00005 167 2PX 0.00005 0.00241 -0.00001 0.00000 0.00010 168 2PY -0.00026 -0.00107 0.00000 0.00000 0.00000 169 2PZ -0.00238 -0.00266 0.00001 -0.00002 0.00011 170 3S 0.00297 -0.00757 -0.00003 -0.00014 0.00044 171 3PX 0.00059 0.00387 -0.00019 -0.00004 0.00054 172 3PY -0.00307 -0.00016 -0.00001 0.00003 -0.00008 173 3PZ -0.00040 -0.00306 0.00011 -0.00024 0.00038 174 4XX 0.00003 0.00019 0.00000 0.00000 0.00000 175 4YY -0.00002 -0.00018 0.00000 0.00000 0.00000 176 4ZZ 0.00009 0.00029 0.00000 0.00000 0.00000 177 4XY 0.00000 0.00005 0.00000 0.00000 0.00000 178 4XZ 0.00006 0.00015 0.00000 0.00000 0.00000 179 4YZ -0.00009 0.00005 0.00000 0.00000 0.00000 180 19 H 1S 0.00010 0.00010 0.00000 0.00000 0.00000 181 2S 0.00118 0.00143 0.00000 0.00000 -0.00002 182 20 C 1S -0.00069 -0.00018 0.00001 -0.00004 0.00000 183 2S 0.01115 0.00333 -0.00028 0.00096 -0.00012 184 2PX 0.01037 0.00386 -0.00008 0.00052 -0.00009 185 2PY 0.00395 0.00610 -0.00017 -0.00063 0.00000 186 2PZ 0.01159 -0.00102 -0.00009 0.00091 -0.00017 187 3S 0.00221 0.00105 -0.00033 0.00207 -0.00110 188 3PX 0.00824 0.00231 -0.00035 0.00043 0.00006 189 3PY -0.00193 0.00110 0.00020 -0.00035 -0.00041 190 3PZ 0.00798 -0.00033 -0.00005 0.00059 -0.00039 191 4XX 0.00046 0.00013 0.00002 -0.00006 -0.00003 192 4YY -0.00073 0.00031 -0.00004 0.00007 -0.00006 193 4ZZ -0.00017 -0.00044 -0.00002 -0.00008 0.00003 194 4XY 0.00007 0.00018 0.00000 -0.00002 -0.00002 195 4XZ 0.00008 0.00007 0.00000 -0.00001 0.00000 196 4YZ 0.00008 0.00000 -0.00002 -0.00001 0.00000 197 21 H 1S -0.00381 -0.00033 0.00000 0.00005 0.00000 198 2S -0.01209 -0.00086 -0.00003 0.00040 -0.00010 199 22 C 1S 0.00002 0.00020 0.00000 0.00000 0.00000 200 2S -0.00055 -0.00284 0.00000 0.00000 0.00005 201 2PX 0.00005 0.00241 -0.00001 0.00000 0.00010 202 2PY -0.00026 -0.00107 0.00000 0.00000 0.00000 203 2PZ -0.00237 -0.00266 0.00001 -0.00002 0.00011 204 3S 0.00297 -0.00756 -0.00003 -0.00014 0.00044 205 3PX 0.00059 0.00387 -0.00019 -0.00004 0.00054 206 3PY -0.00307 -0.00016 -0.00001 0.00003 -0.00008 207 3PZ -0.00040 -0.00306 0.00011 -0.00024 0.00038 208 4XX 0.00003 0.00019 0.00000 0.00000 0.00000 209 4YY -0.00002 -0.00018 0.00000 0.00000 0.00000 210 4ZZ 0.00009 0.00029 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00005 0.00000 0.00000 0.00000 212 4XZ 0.00006 0.00015 0.00000 0.00000 0.00000 213 4YZ -0.00009 0.00005 0.00000 0.00000 0.00000 214 23 H 1S 0.00010 0.00010 0.00000 0.00000 0.00000 215 2S 0.00118 0.00144 0.00000 0.00000 -0.00002 141 142 143 144 145 141 4XY 0.00090 142 4XZ 0.00000 0.00065 143 4YZ 0.00000 0.00000 0.00093 144 14 H 1S 0.00000 0.00122 0.00000 0.21008 145 2S 0.00000 0.00026 0.00000 0.10344 0.14021 146 15 H 1S 0.00000 0.00002 0.00000 -0.00045 -0.00674 147 2S 0.00000 0.00000 0.00000 -0.00663 -0.01761 148 16 C 1S -0.00005 -0.00002 -0.00005 0.00000 0.00020 149 2S 0.00083 0.00030 0.00088 -0.00019 -0.00342 150 2PX -0.00006 0.00000 0.00085 0.00001 -0.00226 151 2PY 0.00087 0.00061 0.00095 -0.00015 -0.00215 152 2PZ 0.00076 -0.00001 -0.00004 -0.00006 -0.00050 153 3S 0.00041 0.00014 0.00041 -0.00198 -0.00706 154 3PX 0.00026 0.00001 0.00028 -0.00105 -0.00492 155 3PY 0.00004 0.00010 0.00006 -0.00048 -0.00188 156 3PZ 0.00030 0.00000 0.00011 -0.00037 -0.00061 157 4XX 0.00000 0.00000 -0.00003 0.00009 0.00082 158 4YY -0.00005 0.00003 -0.00006 -0.00001 -0.00028 159 4ZZ -0.00002 0.00000 0.00000 0.00000 -0.00007 160 4XY 0.00001 0.00000 0.00004 0.00004 0.00005 161 4XZ 0.00001 0.00000 0.00000 0.00001 -0.00001 162 4YZ 0.00003 0.00000 0.00000 0.00000 -0.00002 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 164 2S -0.00008 -0.00001 -0.00005 -0.00001 0.00013 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00001 0.00001 0.00000 -0.00003 167 2PX -0.00001 0.00000 0.00003 -0.00002 -0.00055 168 2PY 0.00000 -0.00001 0.00000 0.00000 0.00001 169 2PZ 0.00001 0.00007 0.00004 0.00000 0.00007 170 3S 0.00005 -0.00003 0.00003 0.00003 0.00097 171 3PX 0.00000 0.00000 0.00007 -0.00112 -0.00190 172 3PY -0.00003 -0.00001 -0.00001 0.00000 -0.00006 173 3PZ 0.00007 0.00007 -0.00001 0.00017 0.00027 174 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 175 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00004 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 179 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00020 182 20 C 1S -0.00005 -0.00002 -0.00005 0.00000 0.00020 183 2S 0.00083 0.00030 0.00087 -0.00019 -0.00342 184 2PX -0.00006 0.00000 0.00085 0.00001 -0.00227 185 2PY 0.00087 0.00061 0.00095 -0.00015 -0.00214 186 2PZ 0.00077 -0.00001 -0.00004 -0.00006 -0.00050 187 3S 0.00041 0.00014 0.00041 -0.00198 -0.00706 188 3PX 0.00026 0.00001 0.00028 -0.00105 -0.00492 189 3PY 0.00003 0.00010 0.00006 -0.00048 -0.00187 190 3PZ 0.00030 0.00000 0.00011 -0.00037 -0.00062 191 4XX 0.00000 0.00000 -0.00003 0.00009 0.00082 192 4YY -0.00005 0.00003 -0.00006 -0.00001 -0.00028 193 4ZZ -0.00002 0.00000 0.00000 0.00000 -0.00007 194 4XY 0.00001 0.00000 0.00004 0.00004 0.00005 195 4XZ 0.00001 0.00000 0.00000 0.00001 -0.00001 196 4YZ 0.00003 0.00000 0.00000 0.00000 -0.00002 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 198 2S -0.00008 -0.00001 -0.00005 -0.00001 0.00013 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00001 0.00001 0.00000 -0.00003 201 2PX -0.00001 0.00000 0.00003 -0.00002 -0.00055 202 2PY 0.00000 -0.00001 0.00000 0.00000 0.00001 203 2PZ 0.00001 0.00007 0.00004 0.00000 0.00007 204 3S 0.00005 -0.00003 0.00003 0.00003 0.00097 205 3PX 0.00000 0.00000 0.00007 -0.00112 -0.00190 206 3PY -0.00003 -0.00001 -0.00001 0.00000 -0.00006 207 3PZ 0.00007 0.00007 -0.00001 0.00017 0.00027 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 209 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00004 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 213 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00020 146 147 148 149 150 146 15 H 1S 0.21453 147 2S 0.10530 0.14145 148 16 C 1S 0.00000 0.00013 2.05590 149 2S -0.00009 -0.00188 -0.01386 0.33144 150 2PX -0.00006 -0.00037 0.00000 0.00000 0.31538 151 2PY -0.00009 -0.00142 0.00000 0.00000 0.00000 152 2PZ -0.00025 -0.00469 0.00000 0.00000 0.00000 153 3S -0.00232 -0.01085 -0.03809 0.25289 0.00000 154 3PX -0.00028 0.00010 0.00000 0.00000 0.10653 155 3PY -0.00092 -0.00395 0.00000 0.00000 0.00000 156 3PZ -0.00162 -0.00613 0.00000 0.00000 0.00000 157 4XX 0.00000 -0.00013 -0.00087 -0.00986 0.00000 158 4YY -0.00001 -0.00027 -0.00151 0.00216 0.00000 159 4ZZ 0.00005 0.00075 -0.00109 -0.00527 0.00000 160 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 161 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00000 162 4YZ 0.00002 -0.00001 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 -0.00015 -0.00212 0.03300 0.00215 164 2S -0.00014 -0.00085 -0.00144 0.01348 0.00164 165 18 C 1S 0.00000 0.00000 0.00000 -0.00045 -0.00014 166 2S 0.00000 0.00018 -0.00049 0.00996 0.00197 167 2PX 0.00000 0.00021 -0.00007 0.00128 0.01247 168 2PY 0.00000 0.00000 -0.00029 0.00500 0.00076 169 2PZ 0.00000 0.00028 -0.00224 0.03371 0.01119 170 3S 0.00013 0.00193 0.00087 0.00320 0.00314 171 3PX 0.00009 0.00140 0.00024 -0.00119 0.02277 172 3PY -0.00003 -0.00019 -0.00027 0.00193 0.00017 173 3PZ 0.00015 0.00130 -0.00037 0.01395 0.00619 174 4XX 0.00000 0.00000 0.00000 -0.00029 0.00004 175 4YY 0.00000 0.00000 0.00001 -0.00060 -0.00010 176 4ZZ 0.00000 -0.00002 -0.00017 0.00248 0.00053 177 4XY 0.00000 0.00000 -0.00001 0.00005 0.00010 178 4XZ 0.00000 0.00000 -0.00003 0.00031 0.00100 179 4YZ 0.00000 0.00000 -0.00007 0.00081 0.00016 180 19 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00004 181 2S 0.00000 -0.00011 0.00020 -0.00279 -0.00069 182 20 C 1S 0.00000 0.00013 0.00000 0.00000 0.00000 183 2S -0.00009 -0.00188 0.00000 -0.00018 0.00000 184 2PX -0.00006 -0.00038 0.00000 0.00000 -0.00034 185 2PY -0.00009 -0.00142 0.00000 -0.00056 0.00000 186 2PZ -0.00025 -0.00470 0.00000 0.00000 0.00000 187 3S -0.00232 -0.01085 0.00019 -0.00250 0.00000 188 3PX -0.00028 0.00010 0.00000 0.00000 -0.00407 189 3PY -0.00092 -0.00395 0.00030 -0.00303 0.00000 190 3PZ -0.00162 -0.00613 0.00000 0.00000 0.00000 191 4XX 0.00000 -0.00013 0.00000 0.00000 0.00000 192 4YY -0.00001 -0.00027 0.00000 0.00010 0.00000 193 4ZZ 0.00005 0.00075 0.00000 0.00000 0.00000 194 4XY 0.00000 -0.00002 0.00000 0.00000 0.00001 195 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00000 196 4YZ 0.00002 -0.00001 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00015 0.00000 0.00000 0.00000 198 2S -0.00014 -0.00085 0.00000 0.00016 -0.00001 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00018 0.00000 -0.00022 0.00001 201 2PX 0.00000 0.00021 0.00000 -0.00002 -0.00001 202 2PY 0.00000 0.00000 0.00000 -0.00045 -0.00006 203 2PZ 0.00000 0.00028 0.00000 -0.00022 0.00002 204 3S 0.00013 0.00193 0.00006 -0.00253 -0.00029 205 3PX 0.00009 0.00140 0.00000 -0.00003 -0.00068 206 3PY -0.00003 -0.00019 0.00008 -0.00253 -0.00054 207 3PZ 0.00015 0.00130 -0.00004 -0.00036 -0.00024 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00004 0.00001 210 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00003 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00006 0.00002 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00011 -0.00001 0.00018 0.00000 151 152 153 154 155 151 2PY 0.42636 152 2PZ 0.00000 0.40298 153 3S 0.00000 0.00000 0.34778 154 3PX 0.00000 0.00000 0.00000 0.12137 155 3PY 0.07592 0.00000 0.00000 0.00000 0.05358 156 3PZ 0.00000 0.09844 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00733 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00358 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00556 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.09143 0.00577 0.05021 0.00165 0.03905 164 2S 0.05409 0.00259 0.03092 0.00227 0.03246 165 18 C 1S -0.00024 -0.00222 -0.00047 -0.00005 -0.00033 166 2S 0.00324 0.03555 0.01228 0.00024 0.00406 167 2PX 0.00015 0.01320 -0.00217 0.02269 -0.00083 168 2PY -0.00071 0.01577 0.00168 0.00031 0.00371 169 2PZ 0.01045 0.05873 0.03843 0.00530 0.00550 170 3S 0.00552 0.01543 -0.01513 0.00331 0.00321 171 3PX -0.00021 0.00627 -0.00738 0.03828 -0.00112 172 3PY 0.00396 0.01036 -0.00025 -0.00022 0.00560 173 3PZ 0.00425 0.00455 0.01727 0.00582 0.00218 174 4XX -0.00008 -0.00056 -0.00071 -0.00017 -0.00016 175 4YY 0.00004 -0.00121 -0.00131 -0.00012 -0.00026 176 4ZZ 0.00141 0.00018 0.00268 0.00047 0.00040 177 4XY 0.00004 0.00018 0.00006 0.00012 -0.00003 178 4XZ 0.00020 0.00045 0.00003 0.00074 0.00001 179 4YZ 0.00047 0.00124 0.00052 0.00002 0.00020 180 19 H 1S 0.00000 -0.00053 -0.00356 -0.00012 0.00012 181 2S -0.00014 -0.00873 -0.01423 -0.00025 0.00028 182 20 C 1S 0.00000 0.00000 0.00019 0.00000 0.00030 183 2S -0.00056 0.00000 -0.00250 0.00000 -0.00303 184 2PX 0.00000 0.00000 0.00000 -0.00407 0.00000 185 2PY -0.00120 0.00000 -0.00482 0.00000 -0.00200 186 2PZ 0.00000 -0.00014 0.00000 0.00000 0.00000 187 3S -0.00482 0.00000 -0.00583 0.00000 -0.00429 188 3PX 0.00000 0.00000 0.00000 -0.01354 0.00000 189 3PY -0.00200 0.00000 -0.00429 0.00000 0.00161 190 3PZ 0.00000 -0.00250 0.00000 0.00000 0.00000 191 4XX -0.00002 0.00000 -0.00004 0.00000 -0.00007 192 4YY 0.00041 0.00000 0.00079 0.00000 0.00109 193 4ZZ -0.00002 0.00000 -0.00022 0.00000 -0.00040 194 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00012 0.00000 0.00014 198 2S 0.00048 0.00002 0.00179 -0.00004 0.00204 199 22 C 1S 0.00000 0.00000 0.00011 0.00000 0.00009 200 2S -0.00045 -0.00027 -0.00278 0.00014 -0.00213 201 2PX -0.00002 -0.00003 -0.00095 -0.00084 -0.00125 202 2PY -0.00043 -0.00067 -0.00036 -0.00041 0.00268 203 2PZ -0.00039 0.00000 -0.00362 0.00006 -0.00108 204 3S -0.00782 0.00285 -0.00671 -0.00130 -0.01044 205 3PX 0.00004 0.00011 -0.00199 -0.00361 -0.00202 206 3PY -0.00415 0.00066 -0.00004 -0.00133 0.00022 207 3PZ -0.00165 0.00157 -0.00301 -0.00084 -0.00022 208 4XX 0.00000 0.00000 0.00004 0.00001 -0.00005 209 4YY 0.00008 0.00008 0.00038 0.00001 0.00037 210 4ZZ 0.00001 0.00001 -0.00003 -0.00002 -0.00004 211 4XY 0.00000 0.00003 -0.00001 0.00021 -0.00001 212 4XZ 0.00000 0.00000 0.00000 -0.00006 -0.00002 213 4YZ 0.00012 0.00010 0.00033 0.00004 0.00020 214 23 H 1S 0.00000 0.00000 0.00014 0.00001 0.00003 215 2S 0.00020 0.00038 0.00195 -0.00006 0.00064 156 157 158 159 160 156 3PZ 0.09384 157 4XX 0.00000 0.00124 158 4YY 0.00000 -0.00012 0.00176 159 4ZZ 0.00000 0.00008 -0.00030 0.00137 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00058 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00242 -0.00092 0.00591 -0.00122 0.00049 164 2S 0.00025 -0.00154 0.00504 -0.00229 0.00010 165 18 C 1S -0.00156 0.00001 0.00001 -0.00018 0.00000 166 2S 0.02069 -0.00044 -0.00062 0.00269 0.00005 167 2PX 0.00792 0.00004 -0.00012 0.00089 0.00011 168 2PY 0.00728 -0.00008 0.00003 0.00104 0.00004 169 2PZ 0.01016 -0.00092 -0.00097 0.00035 0.00019 170 3S -0.00619 0.00008 -0.00245 0.00345 0.00000 171 3PX 0.00662 -0.00014 -0.00020 0.00070 0.00009 172 3PY 0.00814 -0.00022 -0.00021 0.00061 -0.00001 173 3PZ 0.00000 -0.00007 -0.00103 -0.00014 0.00002 174 4XX 0.00005 0.00001 0.00001 -0.00005 0.00000 175 4YY -0.00115 0.00000 0.00003 -0.00006 0.00000 176 4ZZ -0.00031 -0.00003 -0.00007 -0.00001 -0.00002 177 4XY 0.00007 0.00000 0.00000 -0.00002 0.00000 178 4XZ 0.00007 0.00001 0.00000 0.00004 0.00002 179 4YZ 0.00011 -0.00003 0.00000 -0.00003 -0.00001 180 19 H 1S -0.00402 0.00000 0.00000 0.00004 0.00000 181 2S -0.01517 0.00017 -0.00004 0.00008 0.00001 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00010 0.00000 0.00000 184 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 185 2PY 0.00000 -0.00002 0.00041 -0.00002 0.00000 186 2PZ -0.00250 0.00000 0.00000 0.00000 0.00000 187 3S 0.00000 -0.00004 0.00079 -0.00022 0.00000 188 3PX 0.00000 0.00000 0.00000 0.00000 0.00002 189 3PY 0.00000 -0.00007 0.00109 -0.00040 0.00000 190 3PZ -0.00967 0.00000 0.00000 0.00000 0.00000 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ -0.00009 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 198 2S 0.00021 0.00000 -0.00004 0.00000 0.00000 199 22 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 200 2S -0.00216 0.00000 0.00004 0.00000 0.00001 201 2PX -0.00063 0.00000 -0.00001 0.00001 0.00001 202 2PY -0.00302 -0.00001 0.00013 -0.00001 0.00002 203 2PZ -0.00035 0.00000 0.00005 -0.00001 0.00001 204 3S 0.00777 -0.00008 0.00030 0.00009 0.00004 205 3PX -0.00083 0.00000 -0.00009 0.00011 0.00005 206 3PY 0.00234 -0.00016 0.00060 -0.00015 0.00003 207 3PZ 0.00000 -0.00011 0.00002 0.00007 0.00002 208 4XX -0.00006 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00008 0.00000 -0.00001 0.00000 0.00000 210 4ZZ 0.00016 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00008 0.00000 0.00000 0.00000 0.00000 212 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00010 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00022 0.00000 0.00000 0.00000 0.00000 215 2S 0.00260 -0.00001 -0.00001 0.00000 0.00000 161 162 163 164 165 161 4XZ 0.00073 162 4YZ 0.00000 0.00098 163 17 H 1S 0.00000 0.00079 0.21366 164 2S 0.00000 0.00016 0.10180 0.13511 165 18 C 1S -0.00003 -0.00007 0.00000 0.00014 2.05355 166 2S 0.00029 0.00078 -0.00014 -0.00200 -0.01405 167 2PX 0.00119 0.00021 -0.00001 -0.00025 0.00000 168 2PY 0.00006 0.00058 -0.00026 -0.00411 0.00000 169 2PZ 0.00049 0.00146 -0.00029 -0.00318 0.00000 170 3S 0.00009 0.00013 -0.00387 -0.01442 -0.03075 171 3PX 0.00104 0.00002 -0.00017 -0.00048 0.00000 172 3PY -0.00001 0.00013 -0.00014 -0.00127 0.00000 173 3PZ 0.00006 0.00005 -0.00259 -0.00700 0.00000 174 4XX 0.00001 -0.00002 0.00000 0.00006 -0.00094 175 4YY -0.00001 -0.00001 0.00004 0.00060 -0.00138 176 4ZZ 0.00004 -0.00010 -0.00002 -0.00047 -0.00144 177 4XY -0.00002 -0.00001 0.00001 0.00004 0.00000 178 4XZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 179 4YZ -0.00002 -0.00005 0.00005 0.00013 0.00000 180 19 H 1S 0.00001 0.00001 0.00000 -0.00042 -0.00210 181 2S 0.00004 0.00005 -0.00043 -0.00259 -0.00123 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00016 0.00000 184 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00048 0.00000 186 2PZ 0.00000 0.00000 0.00000 0.00002 0.00000 187 3S 0.00000 0.00000 0.00012 0.00179 0.00011 188 3PX 0.00000 0.00000 0.00000 -0.00004 0.00000 189 3PY 0.00000 0.00000 0.00014 0.00204 0.00009 190 3PZ 0.00000 -0.00009 0.00002 0.00021 0.00009 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 -0.00004 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00013 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00005 0.00000 0.00016 -0.00050 201 2PX 0.00002 0.00000 0.00000 -0.00004 0.00000 202 2PY 0.00000 0.00021 0.00000 0.00051 -0.00268 203 2PZ 0.00001 0.00002 0.00000 0.00010 0.00000 204 3S -0.00002 0.00027 0.00018 0.00229 -0.00013 205 3PX 0.00016 0.00001 -0.00002 -0.00038 0.00000 206 3PY -0.00001 0.00027 0.00033 0.00345 -0.00145 207 3PZ 0.00001 0.00004 0.00002 0.00053 0.00000 208 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00001 0.00000 -0.00002 -0.00028 210 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S 0.00000 -0.00001 0.00000 -0.00010 0.00017 166 167 168 169 170 166 2S 0.33134 167 2PX 0.00000 0.34559 168 2PY 0.00000 0.00000 0.41954 169 2PZ 0.00000 0.00000 0.00000 0.40627 170 3S 0.20797 0.00000 0.00000 0.00000 0.27305 171 3PX 0.00000 0.12409 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.07765 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.06670 0.00000 174 4XX -0.00993 0.00000 0.00000 0.00000 -0.00657 175 4YY -0.00170 0.00000 0.00000 0.00000 -0.00099 176 4ZZ -0.00082 0.00000 0.00000 0.00000 0.00044 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.03245 0.00895 0.03341 0.05673 0.05004 181 2S 0.01134 0.00565 0.01989 0.03527 0.04215 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00006 183 2S -0.00022 -0.00002 -0.00045 -0.00022 -0.00253 184 2PX 0.00001 -0.00001 -0.00005 0.00002 -0.00029 185 2PY -0.00045 -0.00002 -0.00043 -0.00039 -0.00782 186 2PZ -0.00027 -0.00003 -0.00067 0.00000 0.00285 187 3S -0.00278 -0.00095 -0.00036 -0.00362 -0.00671 188 3PX 0.00014 -0.00084 -0.00041 0.00006 -0.00130 189 3PY -0.00213 -0.00125 0.00267 -0.00108 -0.01044 190 3PZ -0.00216 -0.00062 -0.00303 -0.00034 0.00777 191 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00009 192 4YY 0.00004 -0.00001 0.00013 0.00005 0.00030 193 4ZZ 0.00000 0.00001 -0.00001 -0.00001 0.00009 194 4XY 0.00001 0.00001 0.00002 0.00001 0.00004 195 4XZ 0.00000 0.00002 0.00000 0.00001 -0.00002 196 4YZ 0.00005 0.00000 0.00021 0.00002 0.00027 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00018 198 2S 0.00016 -0.00004 0.00051 0.00010 0.00229 199 22 C 1S -0.00050 0.00000 -0.00268 0.00000 -0.00013 200 2S 0.01027 0.00000 0.04091 0.00000 0.01187 201 2PX 0.00000 0.01971 0.00000 0.00000 0.00001 202 2PY 0.04091 0.00000 0.09974 0.00000 0.02955 203 2PZ 0.00000 0.00000 0.00000 0.00395 0.00000 204 3S 0.01187 -0.00001 0.02956 0.00000 -0.01105 205 3PX 0.00000 0.03087 0.00000 0.00000 0.00001 206 3PY 0.02194 0.00000 0.01816 0.00000 0.00558 207 3PZ 0.00000 0.00000 0.00000 0.01044 0.00000 208 4XX -0.00038 0.00000 -0.00084 0.00000 -0.00057 209 4YY 0.00380 0.00000 0.00251 0.00000 0.00356 210 4ZZ -0.00059 0.00000 -0.00147 0.00000 -0.00215 211 4XY 0.00000 0.00215 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00207 0.00000 214 23 H 1S -0.00014 -0.00001 -0.00049 -0.00009 -0.00382 215 2S -0.00229 -0.00029 -0.00722 -0.00163 -0.01520 171 172 173 174 175 171 3PX 0.14491 172 3PY 0.00000 0.05521 173 3PZ 0.00000 0.00000 0.05201 174 4XX 0.00000 0.00000 0.00000 0.00081 175 4YY 0.00000 0.00000 0.00000 0.00005 0.00114 176 4ZZ 0.00000 0.00000 0.00000 0.00004 -0.00019 177 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00426 0.01355 0.02225 -0.00061 -0.00032 181 2S 0.00410 0.00977 0.01657 -0.00024 -0.00030 182 20 C 1S 0.00000 0.00008 -0.00004 0.00000 0.00000 183 2S -0.00003 -0.00253 -0.00036 0.00000 0.00004 184 2PX -0.00068 -0.00054 -0.00024 0.00000 0.00001 185 2PY 0.00004 -0.00415 -0.00165 0.00000 0.00008 186 2PZ 0.00011 0.00066 0.00157 0.00000 0.00008 187 3S -0.00198 -0.00004 -0.00301 0.00004 0.00038 188 3PX -0.00362 -0.00133 -0.00084 0.00001 0.00001 189 3PY -0.00201 0.00021 -0.00022 -0.00005 0.00037 190 3PZ -0.00083 0.00234 0.00000 -0.00006 0.00008 191 4XX 0.00000 -0.00016 -0.00011 0.00000 0.00000 192 4YY -0.00009 0.00060 0.00002 0.00000 -0.00001 193 4ZZ 0.00011 -0.00015 0.00007 0.00000 0.00000 194 4XY 0.00005 0.00003 0.00002 0.00000 0.00000 195 4XZ 0.00016 -0.00001 0.00001 0.00000 0.00000 196 4YZ 0.00001 0.00027 0.00004 0.00000 0.00001 197 21 H 1S -0.00002 0.00033 0.00002 0.00000 0.00000 198 2S -0.00038 0.00345 0.00053 0.00000 -0.00002 199 22 C 1S 0.00000 -0.00145 0.00000 0.00000 -0.00028 200 2S 0.00000 0.02194 0.00000 -0.00038 0.00380 201 2PX 0.03087 0.00000 0.00000 0.00000 0.00000 202 2PY 0.00000 0.01816 0.00000 -0.00084 0.00251 203 2PZ 0.00000 0.00000 0.01044 0.00000 0.00000 204 3S -0.00001 0.00560 0.00000 -0.00057 0.00356 205 3PX 0.05143 0.00000 0.00000 0.00000 0.00000 206 3PY 0.00000 0.00214 0.00000 -0.00052 0.00088 207 3PZ 0.00000 0.00000 0.00800 0.00000 0.00000 208 4XX 0.00000 -0.00052 0.00000 0.00002 -0.00006 209 4YY 0.00000 0.00088 0.00000 -0.00006 -0.00008 210 4ZZ 0.00000 -0.00190 0.00000 0.00001 -0.00002 211 4XY 0.00135 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00041 0.00000 0.00000 214 23 H 1S 0.00001 -0.00367 0.00016 0.00000 0.00001 215 2S -0.00031 -0.01269 0.00031 0.00011 -0.00031 176 177 178 179 180 176 4ZZ 0.00117 177 4XY 0.00000 0.00072 178 4XZ 0.00000 0.00000 0.00063 179 4YZ 0.00000 0.00000 0.00000 0.00146 180 19 H 1S 0.00151 0.00054 0.00077 0.00336 0.21460 181 2S 0.00187 0.00012 0.00012 0.00070 0.10561 182 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00006 0.00000 184 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 185 2PY 0.00001 0.00000 0.00000 0.00012 0.00000 186 2PZ 0.00001 0.00003 0.00000 0.00010 0.00000 187 3S -0.00003 -0.00001 0.00000 0.00033 0.00014 188 3PX -0.00002 0.00021 -0.00006 0.00004 0.00001 189 3PY -0.00004 -0.00001 -0.00002 0.00020 0.00003 190 3PZ 0.00016 0.00008 -0.00001 0.00010 0.00022 191 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 198 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S -0.00059 0.00000 0.00000 0.00000 -0.00014 201 2PX 0.00000 0.00215 0.00000 0.00000 -0.00001 202 2PY -0.00147 0.00000 0.00000 0.00000 -0.00049 203 2PZ 0.00000 0.00000 0.00000 0.00207 -0.00009 204 3S -0.00215 0.00000 0.00000 0.00000 -0.00382 205 3PX 0.00000 0.00135 0.00000 0.00000 0.00001 206 3PY -0.00190 0.00000 0.00000 0.00000 -0.00367 207 3PZ 0.00000 0.00000 0.00000 0.00041 0.00016 208 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 209 4YY -0.00002 0.00000 0.00000 0.00000 0.00001 210 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 -0.00024 0.00005 214 23 H 1S 0.00000 0.00001 0.00000 0.00005 0.00000 215 2S 0.00023 0.00004 0.00001 0.00023 -0.00039 181 182 183 184 185 181 2S 0.14179 182 20 C 1S -0.00001 2.05590 183 2S 0.00018 -0.01386 0.33143 184 2PX 0.00000 0.00000 0.00000 0.31539 185 2PY 0.00020 0.00000 0.00000 0.00000 0.42636 186 2PZ 0.00038 0.00000 0.00000 0.00000 0.00000 187 3S 0.00195 -0.03809 0.25290 0.00000 0.00000 188 3PX -0.00006 0.00000 0.00000 0.10652 0.00000 189 3PY 0.00064 0.00000 0.00000 0.00000 0.07593 190 3PZ 0.00260 0.00000 0.00000 0.00000 0.00000 191 4XX -0.00001 -0.00087 -0.00986 0.00000 0.00000 192 4YY -0.00001 -0.00151 0.00216 0.00000 0.00000 193 4ZZ 0.00000 -0.00109 -0.00527 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00212 0.03300 0.00214 0.09146 198 2S -0.00010 -0.00144 0.01348 0.00163 0.05411 199 22 C 1S 0.00017 0.00000 -0.00045 -0.00014 -0.00024 200 2S -0.00229 -0.00049 0.00996 0.00196 0.00324 201 2PX -0.00029 -0.00007 0.00127 0.01248 0.00015 202 2PY -0.00723 -0.00030 0.00500 0.00075 -0.00071 203 2PZ -0.00163 -0.00224 0.03371 0.01117 0.01048 204 3S -0.01520 0.00087 0.00320 0.00314 0.00553 205 3PX -0.00031 0.00024 -0.00119 0.02278 -0.00022 206 3PY -0.01269 -0.00027 0.00193 0.00017 0.00395 207 3PZ 0.00031 -0.00037 0.01395 0.00618 0.00426 208 4XX 0.00011 0.00000 -0.00029 0.00004 -0.00008 209 4YY -0.00031 0.00001 -0.00060 -0.00010 0.00004 210 4ZZ 0.00023 -0.00017 0.00248 0.00053 0.00141 211 4XY 0.00004 -0.00001 0.00005 0.00010 0.00004 212 4XZ 0.00001 -0.00003 0.00031 0.00100 0.00020 213 4YZ 0.00023 -0.00007 0.00081 0.00016 0.00047 214 23 H 1S -0.00039 0.00000 -0.00015 -0.00004 0.00000 215 2S -0.00242 0.00020 -0.00279 -0.00069 -0.00014 186 187 188 189 190 186 2PZ 0.40298 187 3S 0.00000 0.34779 188 3PX 0.00000 0.00000 0.12136 189 3PY 0.00000 0.00000 0.00000 0.05359 190 3PZ 0.09844 0.00000 0.00000 0.00000 0.09384 191 4XX 0.00000 -0.00733 0.00000 0.00000 0.00000 192 4YY 0.00000 0.00358 0.00000 0.00000 0.00000 193 4ZZ 0.00000 -0.00556 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00576 0.05021 0.00164 0.03906 0.00242 198 2S 0.00259 0.03092 0.00226 0.03248 0.00025 199 22 C 1S -0.00223 -0.00047 -0.00005 -0.00033 -0.00156 200 2S 0.03555 0.01228 0.00023 0.00406 0.02069 201 2PX 0.01318 -0.00216 0.02270 -0.00083 0.00791 202 2PY 0.01580 0.00168 0.00031 0.00370 0.00730 203 2PZ 0.05871 0.03843 0.00529 0.00551 0.01015 204 3S 0.01542 -0.01513 0.00330 0.00321 -0.00619 205 3PX 0.00626 -0.00738 0.03827 -0.00112 0.00661 206 3PY 0.01037 -0.00026 -0.00022 0.00560 0.00816 207 3PZ 0.00455 0.01727 0.00582 0.00218 0.00000 208 4XX -0.00056 -0.00071 -0.00017 -0.00016 0.00005 209 4YY -0.00121 -0.00131 -0.00012 -0.00026 -0.00115 210 4ZZ 0.00018 0.00268 0.00047 0.00040 -0.00031 211 4XY 0.00018 0.00006 0.00012 -0.00003 0.00007 212 4XZ 0.00045 0.00003 0.00074 0.00001 0.00007 213 4YZ 0.00124 0.00052 0.00002 0.00020 0.00011 214 23 H 1S -0.00053 -0.00356 -0.00012 0.00012 -0.00402 215 2S -0.00873 -0.01423 -0.00025 0.00028 -0.01517 191 192 193 194 195 191 4XX 0.00124 192 4YY -0.00012 0.00176 193 4ZZ 0.00008 -0.00030 0.00137 194 4XY 0.00000 0.00000 0.00000 0.00058 195 4XZ 0.00000 0.00000 0.00000 0.00000 0.00073 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S -0.00093 0.00592 -0.00122 0.00049 0.00000 198 2S -0.00154 0.00505 -0.00229 0.00010 0.00000 199 22 C 1S 0.00001 0.00001 -0.00018 0.00000 -0.00003 200 2S -0.00044 -0.00062 0.00269 0.00005 0.00029 201 2PX 0.00004 -0.00012 0.00089 0.00011 0.00119 202 2PY -0.00008 0.00003 0.00105 0.00004 0.00006 203 2PZ -0.00092 -0.00097 0.00035 0.00019 0.00048 204 3S 0.00008 -0.00245 0.00345 0.00000 0.00009 205 3PX -0.00014 -0.00020 0.00070 0.00009 0.00104 206 3PY -0.00022 -0.00021 0.00061 -0.00001 -0.00001 207 3PZ -0.00007 -0.00103 -0.00014 0.00002 0.00006 208 4XX 0.00001 0.00001 -0.00005 0.00000 0.00001 209 4YY 0.00000 0.00003 -0.00006 0.00000 -0.00001 210 4ZZ -0.00003 -0.00007 -0.00001 -0.00002 0.00004 211 4XY 0.00000 0.00000 -0.00002 0.00000 -0.00002 212 4XZ 0.00001 0.00000 0.00004 0.00002 0.00000 213 4YZ -0.00003 0.00000 -0.00003 -0.00001 -0.00002 214 23 H 1S 0.00000 0.00000 0.00004 0.00000 0.00001 215 2S 0.00017 -0.00004 0.00008 0.00001 0.00004 196 197 198 199 200 196 4YZ 0.00098 197 21 H 1S 0.00079 0.21366 198 2S 0.00016 0.10180 0.13512 199 22 C 1S -0.00007 0.00000 0.00014 2.05355 200 2S 0.00078 -0.00014 -0.00200 -0.01405 0.33134 201 2PX 0.00021 -0.00001 -0.00025 0.00000 0.00000 202 2PY 0.00057 -0.00026 -0.00411 0.00000 0.00000 203 2PZ 0.00146 -0.00029 -0.00318 0.00000 0.00000 204 3S 0.00013 -0.00387 -0.01442 -0.03075 0.20797 205 3PX 0.00002 -0.00017 -0.00048 0.00000 0.00000 206 3PY 0.00013 -0.00014 -0.00128 0.00000 0.00000 207 3PZ 0.00005 -0.00259 -0.00700 0.00000 0.00000 208 4XX -0.00002 0.00000 0.00006 -0.00094 -0.00993 209 4YY -0.00001 0.00004 0.00060 -0.00138 -0.00170 210 4ZZ -0.00010 -0.00002 -0.00047 -0.00144 -0.00082 211 4XY -0.00001 0.00001 0.00004 0.00000 0.00000 212 4XZ -0.00001 0.00000 -0.00002 0.00000 0.00000 213 4YZ -0.00005 0.00005 0.00013 0.00000 0.00000 214 23 H 1S 0.00001 0.00000 -0.00042 -0.00210 0.03245 215 2S 0.00005 -0.00043 -0.00259 -0.00123 0.01134 201 202 203 204 205 201 2PX 0.34558 202 2PY 0.00000 0.41954 203 2PZ 0.00000 0.00000 0.40628 204 3S 0.00000 0.00000 0.00000 0.27304 205 3PX 0.12408 0.00000 0.00000 0.00000 0.14489 206 3PY 0.00000 0.07767 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.06670 0.00000 0.00000 208 4XX 0.00000 0.00000 0.00000 -0.00657 0.00000 209 4YY 0.00000 0.00000 0.00000 -0.00100 0.00000 210 4ZZ 0.00000 0.00000 0.00000 0.00044 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.00897 0.03338 0.05675 0.05004 0.00427 215 2S 0.00566 0.01987 0.03528 0.04215 0.00411 206 207 208 209 210 206 3PY 0.05524 207 3PZ 0.00000 0.05201 208 4XX 0.00000 0.00000 0.00081 209 4YY 0.00000 0.00000 0.00005 0.00114 210 4ZZ 0.00000 0.00000 0.00004 -0.00019 0.00117 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 214 23 H 1S 0.01353 0.02226 -0.00061 -0.00032 0.00152 215 2S 0.00976 0.01657 -0.00024 -0.00030 0.00187 211 212 213 214 215 211 4XY 0.00072 212 4XZ 0.00000 0.00063 213 4YZ 0.00000 0.00000 0.00146 214 23 H 1S 0.00054 0.00077 0.00336 0.21460 215 2S 0.00012 0.00013 0.00070 0.10561 0.14180 Gross orbital populations: 1 1 1 C 1S 1.99200 2 2S 0.71655 3 2PX 0.62439 4 2PY 0.78442 5 2PZ 0.64989 6 3S 0.56623 7 3PX 0.33328 8 3PY 0.17896 9 3PZ 0.31248 10 4XX -0.01214 11 4YY 0.00406 12 4ZZ -0.00796 13 4XY 0.00933 14 4XZ 0.00495 15 4YZ 0.01074 16 2 C 1S 1.99236 17 2S 0.72875 18 2PX 0.61520 19 2PY 0.73580 20 2PZ 0.62340 21 3S 0.38550 22 3PX 0.18932 23 3PY 0.02553 24 3PZ 0.19155 25 4XX -0.01462 26 4YY 0.01115 27 4ZZ -0.01500 28 4XY 0.02782 29 4XZ 0.00550 30 4YZ 0.02904 31 3 C 1S 1.99265 32 2S 0.69839 33 2PX 0.62190 34 2PY 0.75044 35 2PZ 0.67904 36 3S 0.60998 37 3PX 0.34940 38 3PY 0.19043 39 3PZ 0.32532 40 4XX -0.01394 41 4YY 0.00199 42 4ZZ -0.00315 43 4XY 0.00813 44 4XZ 0.00515 45 4YZ 0.01023 46 4 C 1S 1.99265 47 2S 0.69839 48 2PX 0.62192 49 2PY 0.75042 50 2PZ 0.67903 51 3S 0.61000 52 3PX 0.34934 53 3PY 0.19045 54 3PZ 0.32532 55 4XX -0.01394 56 4YY 0.00199 57 4ZZ -0.00315 58 4XY 0.00813 59 4XZ 0.00515 60 4YZ 0.01023 61 5 C 1S 1.99236 62 2S 0.72875 63 2PX 0.61525 64 2PY 0.73575 65 2PZ 0.62339 66 3S 0.38550 67 3PX 0.18926 68 3PY 0.02559 69 3PZ 0.19156 70 4XX -0.01461 71 4YY 0.01114 72 4ZZ -0.01501 73 4XY 0.02781 74 4XZ 0.00550 75 4YZ 0.02904 76 6 C 1S 1.99200 77 2S 0.71655 78 2PX 0.62440 79 2PY 0.78441 80 2PZ 0.64989 81 3S 0.56623 82 3PX 0.33330 83 3PY 0.17896 84 3PZ 0.31247 85 4XX -0.01214 86 4YY 0.00405 87 4ZZ -0.00796 88 4XY 0.00933 89 4XZ 0.00495 90 4YZ 0.01074 91 7 H 1S 0.52756 92 2S 0.31306 93 8 H 1S 0.52751 94 2S 0.30777 95 9 H 1S 0.52751 96 2S 0.30777 97 10 H 1S 0.52756 98 2S 0.31305 99 11 O 1S 1.99242 100 2S 0.90551 101 2PX 0.96427 102 2PY 0.91599 103 2PZ 0.98059 104 3S 1.06349 105 3PX 0.61536 106 3PY 0.44693 107 3PZ 0.62248 108 4XX -0.01269 109 4YY -0.00044 110 4ZZ -0.01312 111 4XY 0.00848 112 4XZ 0.00037 113 4YZ 0.00830 114 12 O 1S 1.99242 115 2S 0.90551 116 2PX 0.96430 117 2PY 0.91599 118 2PZ 0.98057 119 3S 1.06348 120 3PX 0.61535 121 3PY 0.44695 122 3PZ 0.62247 123 4XX -0.01269 124 4YY -0.00044 125 4ZZ -0.01312 126 4XY 0.00848 127 4XZ 0.00038 128 4YZ 0.00830 129 13 C 1S 1.99219 130 2S 0.68736 131 2PX 0.70948 132 2PY 0.67630 133 2PZ 0.73161 134 3S 0.59367 135 3PX 0.30495 136 3PY 0.25590 137 3PZ 0.31519 138 4XX 0.00525 139 4YY -0.00779 140 4ZZ 0.01084 141 4XY 0.00793 142 4XZ 0.00478 143 4YZ 0.00798 144 14 H 1S 0.51761 145 2S 0.30193 146 15 H 1S 0.52976 147 2S 0.31095 148 16 C 1S 1.99271 149 2S 0.71002 150 2PX 0.54600 151 2PY 0.74832 152 2PZ 0.71110 153 3S 0.61535 154 3PX 0.33507 155 3PY 0.22952 156 3PZ 0.24795 157 4XX -0.01841 158 4YY 0.01452 159 4ZZ -0.00571 160 4XY 0.00494 161 4XZ 0.00606 162 4YZ 0.00899 163 17 H 1S 0.52721 164 2S 0.30804 165 18 C 1S 1.99201 166 2S 0.71236 167 2PX 0.58850 168 2PY 0.75287 169 2PZ 0.72751 170 3S 0.51857 171 3PX 0.39826 172 3PY 0.20189 173 3PZ 0.19130 174 4XX -0.02110 175 4YY 0.00270 176 4ZZ 0.00505 177 4XY 0.00594 178 4XZ 0.00490 179 4YZ 0.01261 180 19 H 1S 0.52868 181 2S 0.32007 182 20 C 1S 1.99271 183 2S 0.71001 184 2PX 0.54603 185 2PY 0.74831 186 2PZ 0.71110 187 3S 0.61537 188 3PX 0.33502 189 3PY 0.22957 190 3PZ 0.24794 191 4XX -0.01841 192 4YY 0.01452 193 4ZZ -0.00571 194 4XY 0.00494 195 4XZ 0.00606 196 4YZ 0.00899 197 21 H 1S 0.52721 198 2S 0.30806 199 22 C 1S 1.99201 200 2S 0.71236 201 2PX 0.58850 202 2PY 0.75287 203 2PZ 0.72752 204 3S 0.51855 205 3PX 0.39825 206 3PY 0.20190 207 3PZ 0.19129 208 4XX -0.02109 209 4YY 0.00269 210 4ZZ 0.00505 211 4XY 0.00594 212 4XZ 0.00491 213 4YZ 0.01261 214 23 H 1S 0.52868 215 2S 0.32007 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.250528 0.370899 -0.112901 -0.001273 -0.013086 0.418608 2 C 0.370899 4.384211 0.353395 -0.005430 -0.016947 -0.013088 3 C -0.112901 0.353395 5.440581 0.298386 -0.005430 -0.001277 4 C -0.001273 -0.005430 0.298386 5.440555 0.353385 -0.112900 5 C -0.013086 -0.016947 -0.005430 0.353385 4.384235 0.370887 6 C 0.418608 -0.013088 -0.001277 -0.112900 0.370887 5.250547 7 H 0.341332 -0.031799 0.007115 -0.000725 0.003231 -0.035024 8 H 0.006579 -0.027287 0.343352 -0.033392 0.002153 -0.000512 9 H -0.000512 0.002153 -0.033391 0.343349 -0.027288 0.006579 10 H -0.035022 0.003230 -0.000725 0.007115 -0.031799 0.341333 11 O -0.067777 0.521200 -0.072884 0.005149 -0.000098 0.005855 12 O 0.005854 -0.000098 0.005149 -0.072882 0.521211 -0.067776 13 C 0.000121 0.001507 -0.026552 -0.026556 0.001508 0.000121 14 H -0.000002 -0.000029 0.003419 0.003419 -0.000029 -0.000002 15 H -0.000006 0.000334 -0.002933 -0.002934 0.000335 -0.000006 16 C -0.001232 -0.003655 0.104980 -0.030002 -0.000585 -0.001296 17 H 0.000094 -0.001178 -0.014866 0.001992 -0.000005 -0.000030 18 C 0.004818 -0.005195 -0.002856 -0.028249 -0.001262 0.000803 19 H 0.000542 0.000957 -0.000038 -0.000308 -0.000054 0.000129 20 C -0.001296 -0.000586 -0.030004 0.104995 -0.003656 -0.001233 21 H -0.000030 -0.000005 0.001992 -0.014860 -0.001177 0.000093 22 C 0.000804 -0.001262 -0.028254 -0.002867 -0.005196 0.004821 23 H 0.000129 -0.000054 -0.000308 -0.000039 0.000957 0.000542 7 8 9 10 11 12 1 C 0.341332 0.006579 -0.000512 -0.035022 -0.067777 0.005854 2 C -0.031799 -0.027287 0.002153 0.003230 0.521200 -0.000098 3 C 0.007115 0.343352 -0.033391 -0.000725 -0.072884 0.005149 4 C -0.000725 -0.033392 0.343349 0.007115 0.005149 -0.072882 5 C 0.003231 0.002153 -0.027288 -0.031799 -0.000098 0.521211 6 C -0.035024 -0.000512 0.006579 0.341333 0.005855 -0.067776 7 H 0.561669 -0.000159 0.000017 -0.006953 0.001998 -0.000069 8 H -0.000159 0.557396 -0.006739 0.000016 0.002395 -0.000055 9 H 0.000017 -0.006739 0.557404 -0.000159 -0.000055 0.002396 10 H -0.006953 0.000016 -0.000159 0.561666 -0.000069 0.001998 11 O 0.001998 0.002395 -0.000055 -0.000069 8.104046 0.000000 12 O -0.000069 -0.000055 0.002396 0.001998 0.000000 8.104011 13 C 0.000000 -0.003127 -0.003129 0.000000 0.000126 0.000126 14 H 0.000000 0.000053 0.000053 0.000000 -0.000001 -0.000001 15 H 0.000000 0.001510 0.001509 0.000000 0.000000 0.000000 16 C -0.000037 -0.008520 0.000560 0.000009 -0.003077 -0.000009 17 H -0.000002 -0.000165 -0.000070 0.000000 0.002482 0.000000 18 C -0.000107 0.000742 0.000592 0.000056 -0.001460 0.000092 19 H 0.000065 -0.000049 0.000005 -0.000001 0.000040 0.000000 20 C 0.000009 0.000560 -0.008522 -0.000037 -0.000009 -0.003074 21 H 0.000000 -0.000070 -0.000165 -0.000002 0.000000 0.002478 22 C 0.000056 0.000592 0.000743 -0.000107 0.000092 -0.001458 23 H -0.000001 0.000005 -0.000049 0.000065 0.000000 0.000040 13 14 15 16 17 18 1 C 0.000121 -0.000002 -0.000006 -0.001232 0.000094 0.004818 2 C 0.001507 -0.000029 0.000334 -0.003655 -0.001178 -0.005195 3 C -0.026552 0.003419 -0.002933 0.104980 -0.014866 -0.002856 4 C -0.026556 0.003419 -0.002934 -0.030002 0.001992 -0.028249 5 C 0.001508 -0.000029 0.000335 -0.000585 -0.000005 -0.001262 6 C 0.000121 -0.000002 -0.000006 -0.001296 -0.000030 0.000803 7 H 0.000000 0.000000 0.000000 -0.000037 -0.000002 -0.000107 8 H -0.003127 0.000053 0.001510 -0.008520 -0.000165 0.000742 9 H -0.003129 0.000053 0.001509 0.000560 -0.000070 0.000592 10 H 0.000000 0.000000 0.000000 0.000009 0.000000 0.000056 11 O 0.000126 -0.000001 0.000000 -0.003077 0.002482 -0.001460 12 O 0.000126 -0.000001 0.000000 -0.000009 0.000000 0.000092 13 C 5.117037 0.344230 0.368126 0.361798 -0.039358 -0.067752 14 H 0.344230 0.557162 -0.031424 -0.026293 0.000077 -0.002226 15 H 0.368126 -0.031424 0.566584 -0.034352 -0.001140 0.005413 16 C 0.361798 -0.026293 -0.034352 5.066793 0.366378 0.518835 17 H -0.039358 0.000077 -0.001140 0.366378 0.552364 -0.039631 18 C -0.067752 -0.002226 0.005413 0.518835 -0.039631 4.903767 19 H 0.006373 -0.000212 -0.000115 -0.049441 -0.003434 0.370584 20 C 0.361792 -0.026294 -0.034351 -0.072735 0.004903 -0.052835 21 H -0.039361 0.000077 -0.001139 0.004904 -0.000131 0.007083 22 C -0.067745 -0.002227 0.005413 -0.052842 0.007082 0.529005 23 H 0.006373 -0.000212 -0.000115 0.006253 -0.000109 -0.046844 19 20 21 22 23 1 C 0.000542 -0.001296 -0.000030 0.000804 0.000129 2 C 0.000957 -0.000586 -0.000005 -0.001262 -0.000054 3 C -0.000038 -0.030004 0.001992 -0.028254 -0.000308 4 C -0.000308 0.104995 -0.014860 -0.002867 -0.000039 5 C -0.000054 -0.003656 -0.001177 -0.005196 0.000957 6 C 0.000129 -0.001233 0.000093 0.004821 0.000542 7 H 0.000065 0.000009 0.000000 0.000056 -0.000001 8 H -0.000049 0.000560 -0.000070 0.000592 0.000005 9 H 0.000005 -0.008522 -0.000165 0.000743 -0.000049 10 H -0.000001 -0.000037 -0.000002 -0.000107 0.000065 11 O 0.000040 -0.000009 0.000000 0.000092 0.000000 12 O 0.000000 -0.003074 0.002478 -0.001458 0.000040 13 C 0.006373 0.361792 -0.039361 -0.067745 0.006373 14 H -0.000212 -0.026294 0.000077 -0.002227 -0.000212 15 H -0.000115 -0.034351 -0.001139 0.005413 -0.000115 16 C -0.049441 -0.072735 0.004904 -0.052842 0.006253 17 H -0.003434 0.004903 -0.000131 0.007082 -0.000109 18 C 0.370584 -0.052835 0.007083 0.529005 -0.046844 19 H 0.567611 0.006253 -0.000109 -0.046844 -0.003209 20 C 0.006253 5.066799 0.366381 0.518830 -0.049443 21 H -0.000109 0.366381 0.552387 -0.039636 -0.003435 22 C -0.046844 0.518830 -0.039636 4.903777 0.370584 23 H -0.003209 -0.049443 -0.003435 0.370584 0.567620 Mulliken charges: 1 1 C -0.167172 2 C 0.468725 3 C -0.225949 4 C -0.225929 5 C 0.468711 6 C -0.167176 7 H 0.159386 8 H 0.164721 9 H 0.164719 10 H 0.159387 11 O -0.497951 12 O -0.497931 13 C -0.295659 14 H 0.180464 15 H 0.159290 16 C -0.146433 17 H 0.164746 18 C -0.093373 19 H 0.151255 20 C -0.146446 21 H 0.164725 22 C -0.093360 23 H 0.151249 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.007786 2 C 0.468725 3 C -0.061228 4 C -0.061210 5 C 0.468711 6 C -0.007789 11 O -0.497951 12 O -0.497931 13 C 0.044094 16 C 0.018313 18 C 0.057882 20 C 0.018280 22 C 0.057889 APT charges: 1 1 C -0.074212 2 C 0.793309 3 C -0.163542 4 C -0.163445 5 C 0.793299 6 C -0.074217 7 H 0.027417 8 H 0.013789 9 H 0.013772 10 H 0.027417 11 O -0.689576 12 O -0.689575 13 C -0.011957 14 H -0.005269 15 H 0.008604 16 C 0.124182 17 H 0.016056 18 C -0.101183 19 H 0.058054 20 C 0.124181 21 H 0.016030 22 C -0.101177 23 H 0.058043 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.046795 2 C 0.793309 3 C -0.149753 4 C -0.149673 5 C 0.793299 6 C -0.046800 11 O -0.689576 12 O -0.689575 13 C -0.008622 16 C 0.140238 18 C -0.043129 20 C 0.140211 22 C -0.043134 Electronic spatial extent (au): = 1884.3755 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 3.0311 Y= 0.0009 Z= 1.0155 Tot= 3.1966 Quadrupole moment (field-independent basis, Debye-Ang): XX= -70.8599 YY= -90.9032 ZZ= -68.8689 XY= 0.0073 XZ= -5.1632 YZ= -0.0015 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 6.0174 YY= -14.0258 ZZ= 8.0084 XY= 0.0073 XZ= -5.1632 YZ= -0.0015 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -5.1548 YYY= 0.0282 ZZZ= -0.9526 XYY= 31.0557 XXY= -0.0215 XXZ= 1.2914 XZZ= -3.5533 YZZ= -0.0013 YYZ= 10.3293 XYZ= -0.0021 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1077.6446 YYYY= -1090.7979 ZZZZ= -386.0977 XXXY= 0.0281 XXXZ= -34.3850 YYYX= 0.0281 YYYZ= -0.0145 ZZZX= -7.6372 ZZZY= -0.0024 XXYY= -360.6892 XXZZ= -246.8924 YYZZ= -210.6074 XXYZ= 0.0023 YYXZ= -16.1830 ZZXY= -0.0068 N-N= 7.763171105747D+02 E-N=-2.891389561416D+03 KE= 5.702171782628D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.132681 29.025801 2 O -19.132676 29.026506 3 O -10.274828 15.888058 4 O -10.274817 15.885402 5 O -10.226034 15.889250 6 O -10.226021 15.886327 7 O -10.214673 15.872836 8 O -10.213865 15.886966 9 O -10.213575 15.884226 10 O -10.209367 15.880417 11 O -10.208868 15.891831 12 O -10.207658 15.875955 13 O -10.207118 15.886300 14 O -1.031512 2.599165 15 O -1.029419 2.647064 16 O -0.889688 1.403028 17 O -0.833707 1.611706 18 O -0.769957 1.577943 19 O -0.728831 1.512729 20 O -0.727870 1.554109 21 O -0.685767 1.855258 22 O -0.623253 1.412354 23 O -0.584889 1.486052 24 O -0.579918 1.376920 25 O -0.549247 1.335764 26 O -0.537791 0.982735 27 O -0.492160 1.409369 28 O -0.482318 1.660250 29 O -0.467598 1.060938 30 O -0.467211 1.593598 31 O -0.446772 1.187527 32 O -0.417005 2.128856 33 O -0.407499 1.353693 34 O -0.406967 1.311225 35 O -0.400062 1.632739 36 O -0.395705 1.353957 37 O -0.393202 1.495838 38 O -0.390815 1.748985 39 O -0.378760 1.566588 40 O -0.372124 1.423956 41 O -0.328525 1.280739 42 O -0.286863 1.379440 43 O -0.258064 1.592607 44 O -0.253997 1.804017 45 O -0.251415 1.980660 46 O -0.241141 2.008904 47 V -0.090785 1.805088 48 V -0.037406 1.483862 49 V -0.021625 1.392551 50 V 0.040889 1.917938 51 V 0.068749 1.618452 52 V 0.080162 0.951145 53 V 0.108375 1.001873 54 V 0.120677 0.990378 55 V 0.135532 1.044337 56 V 0.135801 1.294164 57 V 0.150967 1.218461 58 V 0.151348 1.184707 59 V 0.159622 1.496480 60 V 0.173768 1.333355 61 V 0.174865 1.295569 62 V 0.196987 1.531054 63 V 0.198687 1.664765 64 V 0.206701 1.324136 65 V 0.219130 1.582776 66 V 0.252740 1.680512 67 V 0.269471 1.445179 68 V 0.295176 1.713931 69 V 0.318337 1.935716 70 V 0.335707 1.539242 71 V 0.345343 2.189871 72 V 0.361955 2.304436 73 V 0.379301 1.639570 74 V 0.430844 1.700044 75 V 0.448568 2.609885 76 V 0.484256 2.208681 77 V 0.485576 1.819379 78 V 0.503484 1.824307 79 V 0.519258 2.032015 80 V 0.528308 2.069164 81 V 0.544281 1.932998 82 V 0.547905 2.193481 83 V 0.561370 2.009121 84 V 0.566987 2.075204 85 V 0.584447 2.038031 86 V 0.602200 2.223536 87 V 0.617970 2.577658 88 V 0.624392 2.121115 89 V 0.649041 2.522610 90 V 0.656888 2.583147 91 V 0.664586 3.131341 92 V 0.675699 2.673731 93 V 0.692432 2.480429 94 V 0.724775 2.442877 95 V 0.728669 2.462277 96 V 0.745725 2.505397 97 V 0.750018 2.587588 98 V 0.768374 2.422661 99 V 0.792247 2.601351 100 V 0.804183 2.416559 101 V 0.815441 2.547819 102 V 0.821303 2.825243 103 V 0.826034 2.566854 104 V 0.826842 2.689968 105 V 0.839264 2.810731 106 V 0.842468 2.799333 107 V 0.865704 2.481183 108 V 0.872995 2.677325 109 V 0.882909 2.465344 110 V 0.893399 2.565457 111 V 0.915763 2.467310 112 V 0.923459 2.539522 113 V 0.928690 2.451948 114 V 0.949092 2.710695 115 V 0.958545 2.419672 116 V 0.968052 2.616460 117 V 0.992013 2.808263 118 V 1.015250 2.381783 119 V 1.046405 3.018225 120 V 1.057894 2.984196 121 V 1.069961 2.755201 122 V 1.092699 2.428843 123 V 1.124889 3.029840 124 V 1.147160 2.334759 125 V 1.181569 2.455726 126 V 1.209184 2.415164 127 V 1.223873 2.485890 128 V 1.233216 2.544906 129 V 1.274260 2.459871 130 V 1.283349 2.410934 131 V 1.341694 2.768645 132 V 1.357901 2.616569 133 V 1.400708 2.537988 134 V 1.407985 2.627835 135 V 1.417868 2.603454 136 V 1.421164 2.621970 137 V 1.437180 2.689867 138 V 1.453600 2.654275 139 V 1.486342 2.714520 140 V 1.522523 2.877068 141 V 1.539890 2.719072 142 V 1.545170 2.743193 143 V 1.629123 2.869604 144 V 1.640404 2.861993 145 V 1.652418 2.945961 146 V 1.701798 3.250599 147 V 1.771286 2.839880 148 V 1.775331 3.043635 149 V 1.794640 3.108382 150 V 1.832378 2.922150 151 V 1.845109 3.083833 152 V 1.847216 3.289618 153 V 1.859507 3.252510 154 V 1.890073 3.198183 155 V 1.902588 3.164889 156 V 1.910449 3.312442 157 V 1.919811 3.029925 158 V 1.925172 3.385496 159 V 1.942494 3.435318 160 V 1.983054 3.607104 161 V 1.985866 3.369973 162 V 2.024525 3.655489 163 V 2.042196 3.471563 164 V 2.052209 3.533116 165 V 2.082753 3.426953 166 V 2.098604 3.496922 167 V 2.105087 3.475045 168 V 2.114875 3.611890 169 V 2.136705 3.522728 170 V 2.202047 3.776232 171 V 2.204495 3.613728 172 V 2.217545 3.544542 173 V 2.242018 3.550184 174 V 2.277688 3.603533 175 V 2.282254 3.648791 176 V 2.307565 3.794385 177 V 2.320176 3.783231 178 V 2.344152 3.634272 179 V 2.368284 3.753949 180 V 2.403899 3.736082 181 V 2.452222 4.004598 182 V 2.471292 3.860353 183 V 2.507152 4.166195 184 V 2.572446 4.088848 185 V 2.579786 4.024923 186 V 2.597409 3.867407 187 V 2.628733 4.144533 188 V 2.628846 4.574402 189 V 2.634113 4.188584 190 V 2.655797 4.452791 191 V 2.668956 4.212154 192 V 2.680992 4.189117 193 V 2.711677 4.496316 194 V 2.763726 4.538945 195 V 2.832387 4.520418 196 V 2.911436 4.763405 197 V 2.955431 4.473373 198 V 2.969668 4.701079 199 V 2.979076 4.940128 200 V 3.016254 5.041198 201 V 3.182016 4.869532 202 V 3.254017 5.166846 203 V 3.993272 10.222264 204 V 4.032009 10.096430 205 V 4.088942 10.510259 206 V 4.186725 10.275426 207 V 4.256675 10.345019 208 V 4.306649 10.413350 209 V 4.354250 10.444543 210 V 4.365590 10.630706 211 V 4.524813 10.466276 212 V 4.544713 10.816820 213 V 4.638199 10.713883 214 V 4.662150 11.232436 215 V 4.945299 11.803775 Total kinetic energy from orbitals= 5.702171782627D+02 Exact polarizability: 119.743 -0.006 136.310 -3.585 -0.001 96.773 Approx polarizability: 188.505 -0.035 294.685 10.915 0.006 172.807 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -439.7818 -0.0002 0.0003 0.0006 3.1273 4.9261 Low frequencies --- 8.6757 83.5903 101.1299 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 27.7342400 13.4255179 17.9886427 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 A A A Frequencies -- -439.7818 83.5897 101.1293 Red. masses -- 9.7708 4.8332 7.7742 Frc consts -- 1.1134 0.0199 0.0468 IR Inten -- 2.9503 0.6128 11.6686 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 -0.02 0.02 0.08 0.04 -0.25 0.00 -0.20 2 6 0.05 -0.02 0.02 0.04 0.05 0.08 0.01 -0.03 0.03 3 6 0.36 -0.10 0.26 0.00 0.03 0.00 -0.04 0.00 -0.01 4 6 0.36 0.10 0.26 0.00 0.03 0.00 -0.04 0.00 -0.01 5 6 0.05 0.02 0.02 -0.04 0.05 -0.08 0.01 0.03 0.03 6 6 0.00 0.00 -0.02 -0.02 0.08 -0.04 -0.25 0.00 -0.20 7 1 -0.04 0.01 -0.06 0.04 0.10 0.07 -0.37 0.00 -0.31 8 1 -0.10 0.05 -0.03 -0.06 0.02 -0.02 -0.03 -0.01 0.00 9 1 -0.10 -0.05 -0.03 0.06 0.02 0.02 -0.03 0.01 0.00 10 1 -0.04 -0.01 -0.06 -0.04 0.10 -0.07 -0.37 0.00 -0.31 11 8 -0.02 0.00 -0.01 0.10 0.03 0.18 0.26 -0.08 0.26 12 8 -0.02 0.00 -0.01 -0.10 0.03 -0.18 0.26 0.08 0.26 13 6 -0.01 0.00 -0.04 0.00 0.10 0.00 -0.02 0.00 -0.06 14 1 -0.08 0.00 0.21 0.00 0.08 0.00 -0.02 0.00 -0.07 15 1 0.18 0.00 -0.05 0.00 0.27 0.00 -0.04 0.00 -0.06 16 6 -0.35 0.05 -0.24 0.03 -0.02 -0.18 -0.02 0.00 -0.05 17 1 -0.13 0.04 -0.08 0.07 0.02 -0.32 -0.04 0.00 -0.06 18 6 -0.02 0.07 0.02 0.02 -0.22 -0.10 0.00 0.00 -0.05 19 1 0.11 0.03 0.04 0.04 -0.36 -0.20 0.00 0.00 -0.05 20 6 -0.35 -0.05 -0.24 -0.03 -0.02 0.18 -0.02 0.00 -0.05 21 1 -0.13 -0.04 -0.08 -0.07 0.02 0.33 -0.04 0.00 -0.06 22 6 -0.02 -0.07 0.02 -0.02 -0.22 0.10 0.00 0.00 -0.05 23 1 0.11 -0.03 0.04 -0.04 -0.36 0.20 0.00 0.00 -0.05 4 5 6 A A A Frequencies -- 127.0126 132.8777 185.4047 Red. masses -- 4.5344 5.3457 6.5375 Frc consts -- 0.0431 0.0556 0.1324 IR Inten -- 0.8157 0.1979 5.4342 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.02 0.00 0.21 0.00 0.08 0.02 0.05 -0.04 2 6 -0.06 -0.03 0.00 0.08 -0.01 -0.02 0.05 0.09 -0.06 3 6 -0.03 -0.09 -0.01 -0.04 0.00 -0.14 -0.11 0.13 -0.12 4 6 0.03 -0.09 0.01 -0.04 0.00 -0.14 0.11 0.13 0.12 5 6 0.06 -0.03 0.00 0.08 0.01 -0.02 -0.05 0.09 0.06 6 6 0.02 0.02 0.00 0.21 0.00 0.08 -0.02 0.05 0.04 7 1 -0.04 0.05 0.01 0.31 0.00 0.18 0.04 0.00 -0.06 8 1 -0.01 -0.11 0.02 -0.05 -0.01 -0.14 -0.02 0.17 -0.10 9 1 0.01 -0.11 -0.02 -0.05 0.01 -0.14 0.02 0.17 0.10 10 1 0.04 0.05 -0.01 0.31 0.00 0.18 -0.04 0.00 0.06 11 8 -0.19 -0.01 -0.01 0.14 -0.03 0.07 0.17 0.06 0.02 12 8 0.19 -0.01 0.01 0.14 0.03 0.07 -0.17 0.06 -0.02 13 6 0.00 0.17 0.00 -0.06 0.00 0.06 0.00 -0.19 0.00 14 1 0.00 0.40 0.00 -0.09 0.00 0.16 0.00 0.10 0.00 15 1 0.00 0.13 0.00 0.05 0.00 0.05 0.00 -0.38 0.00 16 6 0.25 0.04 0.02 -0.13 0.00 -0.01 0.22 -0.17 0.18 17 1 0.41 0.07 -0.02 -0.12 0.00 0.00 0.13 -0.19 0.20 18 6 0.14 -0.03 0.00 -0.26 0.00 -0.04 0.08 -0.06 0.08 19 1 0.25 -0.10 0.00 -0.35 0.00 -0.08 0.14 0.00 0.16 20 6 -0.25 0.04 -0.02 -0.13 0.00 -0.01 -0.22 -0.17 -0.18 21 1 -0.41 0.07 0.02 -0.12 0.00 0.00 -0.13 -0.19 -0.20 22 6 -0.14 -0.03 0.00 -0.26 0.00 -0.04 -0.08 -0.06 -0.08 23 1 -0.25 -0.10 0.00 -0.35 0.00 -0.08 -0.14 0.00 -0.16 7 8 9 A A A Frequencies -- 273.0749 284.5679 403.1609 Red. masses -- 4.3691 3.6735 7.1000 Frc consts -- 0.1920 0.1753 0.6799 IR Inten -- 0.4781 1.8342 16.3330 Atom AN X Y Z X Y Z X Y Z 1 6 0.25 -0.01 0.21 -0.05 0.00 0.03 -0.12 -0.02 0.16 2 6 0.13 0.01 0.08 0.00 0.02 0.05 0.01 0.05 0.11 3 6 0.03 0.01 0.00 0.05 0.00 0.06 -0.04 0.04 0.17 4 6 -0.03 0.01 0.00 0.05 0.00 0.06 -0.04 -0.04 0.17 5 6 -0.13 0.01 -0.08 0.00 -0.02 0.05 0.01 -0.05 0.11 6 6 -0.25 -0.01 -0.21 -0.05 0.00 0.03 -0.12 0.02 0.16 7 1 0.45 -0.03 0.38 -0.10 -0.01 -0.03 -0.18 -0.02 0.10 8 1 0.01 0.01 -0.01 0.00 0.00 0.03 -0.06 -0.01 0.20 9 1 -0.01 0.01 0.01 0.00 0.00 0.03 -0.06 0.01 0.20 10 1 -0.45 -0.03 -0.38 -0.10 0.01 -0.03 -0.18 0.02 0.10 11 8 -0.07 0.05 -0.08 -0.08 0.03 0.05 0.23 0.06 -0.26 12 8 0.07 0.05 0.08 -0.08 -0.03 0.05 0.23 -0.06 -0.26 13 6 0.00 -0.04 0.00 0.24 0.00 0.04 -0.10 0.00 -0.10 14 1 0.00 -0.03 0.00 0.20 0.00 0.22 -0.03 0.00 -0.36 15 1 0.00 -0.06 0.00 0.41 0.00 0.03 -0.33 0.00 -0.09 16 6 0.00 -0.03 0.01 0.14 0.00 -0.06 0.04 -0.01 0.01 17 1 0.00 -0.03 0.02 0.18 0.00 -0.04 0.00 0.00 -0.02 18 6 0.01 -0.02 0.01 -0.15 0.00 -0.14 -0.09 -0.01 -0.05 19 1 0.03 -0.01 0.03 -0.39 0.00 -0.24 -0.22 -0.01 -0.10 20 6 0.00 -0.03 -0.01 0.14 0.00 -0.06 0.04 0.01 0.01 21 1 0.00 -0.03 -0.02 0.18 0.00 -0.04 0.00 0.00 -0.02 22 6 -0.01 -0.02 -0.01 -0.15 0.00 -0.14 -0.09 0.01 -0.05 23 1 -0.03 -0.01 -0.03 -0.39 0.00 -0.24 -0.21 0.01 -0.10 10 11 12 A A A Frequencies -- 436.0889 455.7306 472.8149 Red. masses -- 5.2227 9.5892 2.3253 Frc consts -- 0.5852 1.1734 0.3063 IR Inten -- 2.5279 1.3767 7.4620 Atom AN X Y Z X Y Z X Y Z 1 6 -0.09 0.07 -0.03 -0.08 0.04 0.04 -0.05 0.00 0.06 2 6 0.05 0.05 0.09 0.07 0.34 0.00 -0.06 0.03 -0.01 3 6 0.22 -0.05 0.24 0.12 0.04 -0.18 -0.08 0.01 -0.05 4 6 -0.22 -0.05 -0.24 0.12 -0.04 -0.18 -0.08 -0.01 -0.05 5 6 -0.05 0.05 -0.09 0.07 -0.34 0.00 -0.06 -0.03 -0.01 6 6 0.09 0.07 0.03 -0.08 -0.04 0.04 -0.05 0.00 0.06 7 1 -0.18 0.13 -0.06 -0.12 -0.19 -0.20 0.02 -0.02 0.12 8 1 0.19 -0.19 0.32 0.05 -0.18 -0.07 -0.15 -0.01 -0.07 9 1 -0.19 -0.19 -0.32 0.04 0.18 -0.07 -0.15 0.01 -0.07 10 1 0.18 0.13 0.06 -0.12 0.19 -0.20 0.02 0.02 0.12 11 8 0.08 0.07 -0.12 0.00 0.38 0.10 0.06 0.02 -0.04 12 8 -0.08 0.07 0.12 0.00 -0.38 0.10 0.06 -0.02 -0.04 13 6 0.00 -0.06 0.00 -0.10 0.00 -0.03 0.15 0.00 0.13 14 1 0.00 -0.05 0.00 -0.07 0.00 -0.11 0.02 0.00 0.60 15 1 0.00 -0.07 0.00 -0.18 0.00 -0.02 0.58 0.00 0.11 16 6 0.01 -0.06 0.01 -0.05 0.00 0.02 -0.07 0.01 -0.05 17 1 0.09 -0.05 0.04 -0.06 0.00 0.01 -0.08 0.00 -0.06 18 6 0.11 -0.05 0.05 0.01 0.00 0.02 0.08 0.00 0.00 19 1 0.25 -0.05 0.10 0.07 0.00 0.05 0.18 0.01 0.05 20 6 -0.01 -0.06 -0.01 -0.05 0.00 0.02 -0.07 -0.01 -0.05 21 1 -0.09 -0.05 -0.04 -0.06 0.00 0.01 -0.08 0.00 -0.06 22 6 -0.11 -0.05 -0.05 0.01 0.00 0.02 0.08 0.00 0.00 23 1 -0.25 -0.05 -0.10 0.07 0.00 0.05 0.18 -0.01 0.05 13 14 15 A A A Frequencies -- 477.8580 569.8127 585.8116 Red. masses -- 5.1126 3.0219 2.2527 Frc consts -- 0.6878 0.5781 0.4555 IR Inten -- 0.5531 1.1620 0.3703 Atom AN X Y Z X Y Z X Y Z 1 6 0.11 0.05 -0.18 0.00 0.05 -0.02 0.03 0.00 -0.01 2 6 0.15 0.02 -0.16 0.04 0.00 0.01 0.16 -0.04 0.14 3 6 0.22 -0.06 -0.08 0.04 -0.06 0.02 -0.05 0.00 -0.04 4 6 -0.22 -0.06 0.08 -0.04 -0.06 -0.02 -0.05 0.00 -0.04 5 6 -0.15 0.02 0.16 -0.04 0.00 -0.01 0.16 0.04 0.14 6 6 -0.11 0.05 0.18 0.00 0.05 0.02 0.03 0.00 -0.01 7 1 0.19 -0.19 -0.32 -0.01 0.06 -0.02 -0.45 0.03 -0.42 8 1 0.32 0.12 -0.15 0.09 -0.11 0.07 -0.19 0.02 -0.11 9 1 -0.32 0.12 0.15 -0.09 -0.11 -0.07 -0.19 -0.02 -0.11 10 1 -0.19 -0.19 0.32 0.01 0.06 0.02 -0.45 -0.03 -0.42 11 8 -0.09 0.03 0.11 0.02 0.01 -0.04 -0.04 0.00 -0.04 12 8 0.09 0.03 -0.11 -0.02 0.01 0.04 -0.04 0.00 -0.04 13 6 0.00 -0.02 0.00 0.00 0.03 0.00 -0.01 0.00 0.02 14 1 0.00 -0.05 0.00 0.00 0.27 0.00 -0.04 0.00 0.12 15 1 0.00 -0.01 0.00 0.00 -0.10 0.00 0.08 0.00 0.02 16 6 -0.03 -0.01 0.00 0.13 -0.02 0.05 -0.02 0.00 -0.01 17 1 0.02 -0.02 0.03 0.11 -0.02 0.05 -0.04 0.00 -0.02 18 6 0.02 0.00 0.02 -0.23 -0.01 -0.07 0.01 0.00 0.00 19 1 0.05 0.01 0.04 -0.54 0.00 -0.19 0.06 0.00 0.02 20 6 0.03 -0.01 0.00 -0.13 -0.02 -0.05 -0.02 0.00 -0.01 21 1 -0.02 -0.02 -0.03 -0.11 -0.02 -0.05 -0.04 0.00 -0.02 22 6 -0.02 0.00 -0.02 0.23 -0.01 0.07 0.01 0.00 0.00 23 1 -0.05 0.01 -0.04 0.54 0.00 0.19 0.06 0.00 0.02 16 17 18 A A A Frequencies -- 630.0256 761.8457 776.1402 Red. masses -- 5.8626 3.7691 3.6845 Frc consts -- 1.3711 1.2889 1.3077 IR Inten -- 0.6646 5.9569 0.2078 Atom AN X Y Z X Y Z X Y Z 1 6 0.07 0.29 0.01 -0.11 -0.02 0.14 0.01 0.13 0.04 2 6 -0.03 -0.04 -0.07 -0.01 -0.05 -0.01 -0.04 -0.12 -0.05 3 6 -0.05 -0.24 -0.14 0.10 -0.06 -0.16 0.07 0.18 0.06 4 6 0.05 -0.24 0.14 0.10 0.06 -0.16 -0.07 0.18 -0.06 5 6 0.03 -0.04 0.07 -0.01 0.05 -0.01 0.04 -0.12 0.05 6 6 -0.07 0.29 -0.01 -0.11 0.02 0.14 -0.01 0.13 -0.04 7 1 0.09 0.38 0.11 -0.16 -0.07 0.06 -0.01 0.30 0.16 8 1 -0.11 -0.21 -0.18 -0.20 -0.08 -0.28 0.31 0.33 0.06 9 1 0.11 -0.21 0.18 -0.20 0.08 -0.28 -0.31 0.34 -0.06 10 1 -0.09 0.38 -0.11 -0.16 0.07 0.06 0.01 0.30 -0.16 11 8 0.12 -0.06 -0.10 0.00 -0.07 -0.01 -0.03 -0.16 0.00 12 8 -0.12 -0.06 0.10 0.00 0.07 -0.01 0.03 -0.16 0.00 13 6 0.00 0.01 0.00 0.16 0.00 -0.11 0.00 0.02 0.00 14 1 0.00 -0.14 0.00 0.24 0.00 -0.46 0.00 0.12 0.00 15 1 0.00 0.10 0.00 -0.22 0.00 -0.10 0.00 -0.09 0.00 16 6 -0.07 0.02 -0.03 0.00 0.12 0.01 0.02 0.02 0.04 17 1 0.02 0.02 0.01 0.09 0.09 0.17 -0.17 0.03 -0.12 18 6 0.05 0.03 0.00 -0.03 0.03 0.11 -0.01 -0.05 0.05 19 1 0.13 0.02 0.03 -0.04 -0.08 0.03 -0.06 -0.03 0.04 20 6 0.07 0.02 0.03 0.00 -0.12 0.01 -0.02 0.02 -0.04 21 1 -0.02 0.02 -0.01 0.09 -0.09 0.17 0.17 0.03 0.12 22 6 -0.05 0.03 0.00 -0.03 -0.03 0.11 0.01 -0.05 -0.05 23 1 -0.13 0.02 -0.03 -0.04 0.08 0.03 0.06 -0.03 -0.04 19 20 21 A A A Frequencies -- 777.4176 792.6393 808.2673 Red. masses -- 1.9730 6.5842 1.5884 Frc consts -- 0.7026 2.4373 0.6114 IR Inten -- 14.3481 0.6102 25.4981 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 -0.01 0.06 -0.11 0.07 -0.12 0.03 0.01 -0.08 2 6 0.00 -0.03 0.00 0.32 -0.10 0.26 0.00 0.03 0.02 3 6 0.07 -0.02 -0.05 -0.10 0.05 -0.11 -0.05 0.00 0.05 4 6 0.07 0.02 -0.05 0.10 0.05 0.11 -0.05 0.00 0.05 5 6 0.00 0.03 0.00 -0.32 -0.10 -0.26 0.00 -0.03 0.02 6 6 -0.05 0.01 0.06 0.11 0.07 0.12 0.03 -0.01 -0.08 7 1 -0.03 -0.04 0.07 -0.26 0.13 -0.21 0.17 0.04 0.07 8 1 0.07 -0.05 -0.03 -0.12 0.06 -0.13 -0.38 0.08 -0.14 9 1 0.07 0.05 -0.03 0.12 0.06 0.13 -0.38 -0.08 -0.14 10 1 -0.03 0.04 0.07 0.26 0.13 0.21 0.17 -0.04 0.07 11 8 0.00 -0.03 0.00 -0.08 -0.04 -0.06 0.01 0.04 0.00 12 8 0.00 0.03 0.00 0.08 -0.04 0.06 0.01 -0.04 0.00 13 6 -0.15 0.00 0.07 0.00 -0.02 0.00 0.04 0.00 -0.04 14 1 -0.19 0.00 0.24 0.00 -0.02 0.00 0.05 0.00 -0.05 15 1 0.06 0.00 0.06 0.00 0.00 0.00 0.01 0.00 -0.04 16 6 0.03 -0.08 -0.01 0.00 0.01 -0.01 0.02 0.06 -0.01 17 1 0.45 -0.04 0.10 -0.27 0.00 -0.11 0.29 0.06 0.16 18 6 -0.04 0.00 -0.07 0.03 0.02 -0.01 -0.07 0.02 0.03 19 1 0.40 0.03 0.13 -0.01 0.01 -0.03 0.36 -0.08 0.12 20 6 0.03 0.08 -0.01 0.00 0.01 0.01 0.02 -0.06 -0.01 21 1 0.45 0.04 0.10 0.27 0.00 0.11 0.30 -0.06 0.16 22 6 -0.04 0.00 -0.07 -0.03 0.02 0.01 -0.07 -0.02 0.03 23 1 0.40 -0.03 0.13 0.01 0.01 0.03 0.36 0.08 0.12 22 23 24 A A A Frequencies -- 808.5937 849.3990 855.7166 Red. masses -- 2.8393 1.4357 1.5626 Frc consts -- 1.0938 0.6103 0.6742 IR Inten -- 1.5197 7.2138 1.9817 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.02 -0.01 0.06 0.00 0.04 0.03 0.00 -0.01 2 6 0.00 0.03 0.00 -0.05 0.01 -0.04 -0.02 0.01 -0.02 3 6 -0.04 -0.06 0.00 -0.02 0.01 0.01 -0.02 -0.02 0.03 4 6 0.04 -0.06 0.00 -0.02 -0.01 0.01 0.02 -0.02 -0.03 5 6 0.00 0.03 0.00 -0.05 -0.01 -0.04 0.02 0.01 0.02 6 6 -0.01 -0.02 0.02 0.06 0.00 0.04 -0.03 0.00 0.01 7 1 0.03 -0.08 -0.05 -0.28 0.01 -0.26 0.05 -0.04 -0.02 8 1 0.00 -0.14 0.06 0.37 -0.07 0.24 0.09 -0.09 0.12 9 1 0.01 -0.14 -0.06 0.37 0.07 0.24 -0.09 -0.09 -0.12 10 1 -0.03 -0.07 0.04 -0.28 -0.01 -0.26 -0.05 -0.04 0.02 11 8 0.01 0.03 0.00 0.01 0.00 0.01 0.00 0.00 0.00 12 8 -0.01 0.03 0.00 0.01 0.00 0.01 0.00 0.00 0.00 13 6 0.00 0.12 0.00 0.04 0.00 -0.06 0.00 -0.08 0.00 14 1 0.00 0.18 0.00 0.00 0.00 0.06 0.00 0.13 0.00 15 1 0.00 -0.13 0.00 0.14 0.00 -0.07 0.00 -0.08 0.00 16 6 -0.03 0.09 0.11 -0.01 0.07 0.00 0.07 -0.01 -0.03 17 1 -0.41 0.14 -0.32 -0.02 0.05 0.05 -0.57 -0.05 -0.21 18 6 -0.01 -0.14 0.17 -0.05 0.00 0.00 0.08 0.06 -0.06 19 1 -0.21 -0.03 0.17 0.32 -0.11 0.05 -0.13 0.00 -0.20 20 6 0.03 0.09 -0.11 -0.01 -0.07 0.00 -0.07 -0.01 0.03 21 1 0.40 0.15 0.32 -0.02 -0.05 0.05 0.57 -0.05 0.21 22 6 0.01 -0.14 -0.17 -0.05 0.00 0.00 -0.08 0.06 0.06 23 1 0.20 -0.03 -0.17 0.32 0.11 0.05 0.13 0.00 0.20 25 26 27 A A A Frequencies -- 885.0138 917.3031 931.2157 Red. masses -- 1.6848 1.7411 2.0609 Frc consts -- 0.7775 0.8632 1.0529 IR Inten -- 50.6635 3.7043 3.0067 Atom AN X Y Z X Y Z X Y Z 1 6 -0.08 0.00 -0.04 0.00 0.00 0.01 0.09 0.03 -0.09 2 6 0.09 -0.02 0.08 0.00 0.00 -0.01 0.01 0.00 0.00 3 6 0.00 0.02 -0.03 0.01 0.00 0.01 -0.13 0.03 0.08 4 6 0.00 -0.02 -0.03 0.01 0.00 0.01 0.13 0.03 -0.08 5 6 0.09 0.02 0.08 0.00 0.00 -0.01 -0.01 0.00 0.00 6 6 -0.08 0.00 -0.04 0.00 0.00 0.01 -0.09 0.03 0.09 7 1 0.32 -0.02 0.31 -0.02 0.00 -0.01 0.16 -0.12 -0.15 8 1 0.32 -0.09 0.18 -0.05 0.04 -0.04 0.20 -0.22 0.38 9 1 0.32 0.09 0.18 -0.05 -0.04 -0.04 -0.20 -0.22 -0.38 10 1 0.32 0.02 0.31 -0.02 0.00 -0.01 -0.16 -0.12 0.15 11 8 -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 -0.02 -0.01 12 8 -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 -0.02 0.01 13 6 0.02 0.00 -0.05 0.14 0.00 0.02 0.00 -0.02 0.00 14 1 -0.02 0.00 0.09 0.24 0.00 -0.38 0.00 -0.28 0.00 15 1 0.14 0.00 -0.06 -0.26 0.00 0.03 0.00 -0.07 0.00 16 6 -0.01 0.05 0.01 -0.03 -0.13 0.03 -0.01 0.04 0.01 17 1 -0.23 0.03 -0.04 -0.35 -0.20 0.06 0.13 0.06 0.04 18 6 -0.03 -0.01 -0.01 -0.04 0.00 -0.05 -0.05 -0.01 -0.03 19 1 0.21 -0.10 0.01 0.32 0.12 0.19 0.29 -0.11 0.03 20 6 -0.01 -0.05 0.01 -0.03 0.13 0.03 0.01 0.04 -0.01 21 1 -0.23 -0.03 -0.04 -0.35 0.20 0.06 -0.13 0.06 -0.04 22 6 -0.03 0.01 -0.01 -0.04 0.00 -0.05 0.05 -0.01 0.03 23 1 0.21 0.10 0.01 0.32 -0.12 0.19 -0.29 -0.11 -0.03 28 29 30 A A A Frequencies -- 968.8436 980.3849 984.5599 Red. masses -- 1.3747 1.8593 1.6863 Frc consts -- 0.7603 1.0529 0.9631 IR Inten -- 13.2014 6.0874 1.2504 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 0.01 -0.03 0.03 0.01 -0.04 0.00 0.00 0.01 2 6 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 3 6 -0.03 0.02 0.03 -0.03 0.01 0.04 0.01 0.01 0.01 4 6 0.03 0.02 -0.03 0.03 0.01 -0.04 0.01 -0.01 0.01 5 6 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 6 6 -0.03 0.01 0.03 -0.03 0.01 0.04 0.00 0.00 0.01 7 1 0.05 -0.03 -0.05 0.07 -0.05 -0.06 -0.01 -0.01 -0.01 8 1 -0.08 -0.02 0.03 -0.06 -0.04 0.06 -0.04 0.05 -0.05 9 1 0.08 -0.02 -0.03 0.06 -0.04 -0.06 -0.04 -0.05 -0.05 10 1 -0.05 -0.03 0.05 -0.07 -0.05 0.06 -0.01 0.01 -0.01 11 8 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 12 8 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 13 6 0.00 -0.01 0.00 0.00 0.15 0.00 -0.03 0.00 0.19 14 1 0.00 -0.14 0.00 0.00 0.41 0.00 0.08 0.00 -0.22 15 1 0.00 0.00 0.00 0.00 0.67 0.00 -0.44 0.00 0.22 16 6 -0.03 0.00 -0.02 -0.03 -0.14 -0.01 0.04 0.09 -0.03 17 1 0.28 0.02 0.09 -0.14 -0.19 0.08 -0.10 0.18 -0.46 18 6 0.10 -0.01 0.03 -0.01 0.02 0.02 -0.02 -0.03 -0.02 19 1 -0.58 0.05 -0.19 -0.02 0.20 0.16 0.20 -0.15 -0.03 20 6 0.03 0.00 0.02 0.03 -0.14 0.01 0.03 -0.09 -0.03 21 1 -0.28 0.02 -0.09 0.14 -0.19 -0.08 -0.10 -0.18 -0.46 22 6 -0.10 -0.01 -0.03 0.01 0.02 -0.02 -0.02 0.03 -0.02 23 1 0.58 0.05 0.19 0.03 0.20 -0.16 0.20 0.15 -0.03 31 32 33 A A A Frequencies -- 1005.1679 1017.9075 1029.6349 Red. masses -- 1.4828 1.2997 1.2827 Frc consts -- 0.8827 0.7934 0.8012 IR Inten -- 14.0611 1.0543 0.9185 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.01 -0.03 -0.03 -0.02 0.06 -0.09 -0.01 -0.06 2 6 -0.01 0.00 0.05 0.02 0.01 -0.01 0.01 0.00 0.00 3 6 -0.04 -0.02 -0.02 -0.02 -0.01 -0.07 0.00 0.00 -0.01 4 6 -0.04 0.02 -0.02 0.02 -0.01 0.07 0.00 0.00 0.01 5 6 -0.01 0.00 0.05 -0.02 0.01 0.01 -0.01 0.00 0.00 6 6 0.01 -0.01 -0.03 0.03 -0.02 -0.06 0.09 -0.01 0.06 7 1 0.02 0.09 0.04 -0.18 0.06 -0.01 0.49 0.00 0.48 8 1 0.21 -0.25 0.23 0.58 -0.09 0.23 0.11 -0.02 0.04 9 1 0.20 0.25 0.23 -0.58 -0.09 -0.23 -0.11 -0.02 -0.04 10 1 0.02 -0.09 0.04 0.18 0.06 0.01 -0.49 0.00 -0.48 11 8 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 0.01 0.00 12 8 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 0.01 0.00 13 6 0.07 0.00 0.09 0.00 0.03 0.00 0.00 0.01 0.00 14 1 0.17 0.00 -0.31 0.00 -0.12 0.00 0.00 -0.03 0.00 15 1 -0.33 0.00 0.11 0.00 0.23 0.00 0.00 0.04 0.00 16 6 -0.07 0.00 -0.04 -0.02 -0.01 0.01 0.00 0.00 0.00 17 1 0.38 0.02 0.16 0.02 -0.03 0.09 0.00 -0.01 0.02 18 6 0.03 0.02 -0.02 0.02 0.00 0.00 0.00 0.00 0.00 19 1 -0.10 0.10 0.00 -0.09 -0.01 -0.05 -0.02 0.00 -0.01 20 6 -0.07 0.00 -0.04 0.02 -0.01 -0.01 0.00 0.00 0.00 21 1 0.38 -0.02 0.16 -0.02 -0.03 -0.09 0.00 -0.01 -0.02 22 6 0.03 -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 23 1 -0.10 -0.10 0.00 0.10 -0.01 0.05 0.02 0.00 0.01 34 35 36 A A A Frequencies -- 1082.3402 1099.0046 1109.1359 Red. masses -- 1.5309 1.1950 1.1896 Frc consts -- 1.0566 0.8504 0.8622 IR Inten -- 22.9818 0.4695 19.1901 Atom AN X Y Z X Y Z X Y Z 1 6 -0.04 -0.03 0.04 0.00 0.00 0.00 -0.01 -0.01 0.01 2 6 0.07 -0.01 -0.06 0.00 0.00 0.00 0.02 0.00 -0.01 3 6 -0.04 0.06 0.03 0.00 0.00 0.00 -0.03 0.01 0.01 4 6 -0.04 -0.06 0.03 0.00 0.00 0.00 -0.03 -0.01 0.01 5 6 0.07 0.01 -0.06 0.00 0.00 0.00 0.02 0.00 -0.01 6 6 -0.04 0.03 0.04 0.00 0.00 0.00 -0.01 0.01 0.01 7 1 0.11 -0.35 -0.10 0.01 0.00 -0.01 0.05 -0.15 -0.05 8 1 0.17 0.44 -0.11 -0.06 0.01 -0.03 0.10 0.05 0.03 9 1 0.17 -0.44 -0.11 0.06 0.01 0.03 0.10 -0.05 0.03 10 1 0.11 0.35 -0.10 -0.01 -0.01 0.01 0.05 0.15 -0.05 11 8 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 12 8 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.02 0.00 0.03 0.00 0.02 0.00 0.01 0.00 -0.03 14 1 0.05 0.00 -0.09 0.00 0.37 0.00 0.01 0.00 -0.01 15 1 -0.10 0.00 0.04 0.00 0.00 0.00 0.05 0.00 -0.04 16 6 -0.05 0.03 0.00 -0.04 0.04 0.05 0.02 -0.01 -0.03 17 1 0.12 0.00 0.24 -0.15 -0.08 0.49 0.11 0.08 -0.34 18 6 0.02 0.01 -0.03 0.02 -0.03 -0.03 -0.03 0.03 0.05 19 1 -0.02 -0.04 -0.09 0.05 -0.31 -0.24 -0.06 0.44 0.35 20 6 -0.05 -0.03 0.00 0.04 0.04 -0.05 0.02 0.01 -0.03 21 1 0.12 0.00 0.23 0.15 -0.08 -0.49 0.12 -0.08 -0.34 22 6 0.02 -0.01 -0.03 -0.02 -0.03 0.03 -0.03 -0.03 0.05 23 1 -0.02 0.04 -0.09 -0.05 -0.31 0.24 -0.06 -0.44 0.35 37 38 39 A A A Frequencies -- 1129.6694 1145.7228 1165.0007 Red. masses -- 2.3257 1.1513 1.1242 Frc consts -- 1.7487 0.8905 0.8990 IR Inten -- 3.9990 1.6952 13.9168 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.00 2 6 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 3 6 0.02 0.00 0.00 -0.02 0.00 -0.02 0.01 0.05 -0.02 4 6 0.02 0.00 0.00 0.02 0.00 0.02 0.01 -0.05 -0.02 5 6 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 6 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 7 1 -0.04 0.10 0.04 0.01 -0.01 -0.01 -0.18 0.47 0.21 8 1 -0.09 -0.04 -0.03 0.13 -0.04 0.07 0.18 0.36 -0.14 9 1 -0.09 0.04 -0.03 -0.13 -0.04 -0.07 0.18 -0.36 -0.14 10 1 -0.04 -0.10 0.04 -0.01 -0.01 0.01 -0.18 -0.47 0.21 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 13 6 -0.05 0.00 0.05 0.00 -0.04 0.00 0.01 0.00 -0.01 14 1 -0.07 0.00 0.10 0.00 0.78 0.00 0.02 0.00 -0.04 15 1 -0.07 0.00 0.06 0.00 -0.47 0.00 0.00 0.00 -0.01 16 6 0.02 0.13 0.06 -0.05 -0.01 -0.05 -0.01 0.00 -0.01 17 1 -0.27 0.05 0.29 0.17 0.03 -0.09 0.07 0.02 -0.04 18 6 0.03 0.14 -0.12 0.01 0.00 0.00 0.00 -0.01 0.01 19 1 0.01 0.48 0.11 0.01 0.11 0.08 -0.02 0.05 0.05 20 6 0.02 -0.13 0.06 0.05 -0.01 0.05 -0.01 0.00 -0.01 21 1 -0.27 -0.05 0.29 -0.17 0.03 0.09 0.07 -0.02 -0.04 22 6 0.03 -0.14 -0.12 -0.01 0.00 0.00 0.00 0.01 0.01 23 1 0.01 -0.48 0.11 -0.01 0.11 -0.08 -0.02 -0.05 0.05 40 41 42 A A A Frequencies -- 1246.1262 1297.9086 1322.9686 Red. masses -- 1.9884 1.6910 1.5898 Frc consts -- 1.8192 1.6783 1.6395 IR Inten -- 0.0075 3.0849 1.5302 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 2 6 -0.12 0.00 0.15 0.00 0.00 0.01 0.00 0.00 0.00 3 6 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 4 6 -0.03 -0.03 0.04 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.12 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 0.00 6 6 -0.03 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.18 -0.35 -0.21 0.01 -0.02 -0.01 0.00 0.00 0.00 8 1 0.29 0.37 -0.17 0.02 0.03 -0.01 0.00 -0.03 0.02 9 1 -0.29 0.37 0.17 -0.02 0.03 0.01 -0.01 -0.02 -0.02 10 1 -0.18 -0.35 0.21 -0.01 -0.02 0.01 0.00 0.00 0.00 11 8 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 12 8 -0.02 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 -0.06 0.00 14 1 0.00 -0.05 0.00 0.00 -0.37 0.00 0.00 -0.03 0.00 15 1 0.00 0.07 0.00 0.00 -0.82 0.00 0.00 0.04 0.00 16 6 0.01 0.01 0.01 -0.01 -0.06 0.00 0.06 0.08 -0.10 17 1 -0.01 0.01 -0.01 -0.11 -0.11 0.12 -0.18 -0.09 0.44 18 6 0.00 0.00 0.01 0.02 -0.01 -0.06 0.00 -0.07 0.01 19 1 -0.01 -0.02 -0.01 -0.01 0.15 0.05 -0.07 0.37 0.32 20 6 -0.01 0.01 -0.01 0.01 -0.06 0.00 -0.06 0.08 0.10 21 1 0.01 0.01 0.01 0.11 -0.11 -0.12 0.18 -0.09 -0.44 22 6 0.00 0.00 -0.01 -0.02 -0.01 0.06 0.00 -0.07 -0.01 23 1 0.01 -0.02 0.01 0.01 0.15 -0.05 0.07 0.37 -0.32 43 44 45 A A A Frequencies -- 1323.1288 1391.4307 1392.5118 Red. masses -- 2.8086 1.5610 3.2576 Frc consts -- 2.8970 1.7806 3.7218 IR Inten -- 159.1117 0.9471 22.6339 Atom AN X Y Z X Y Z X Y Z 1 6 0.05 -0.01 -0.06 0.04 -0.05 -0.06 0.00 -0.01 0.00 2 6 -0.17 0.01 0.19 0.01 -0.01 -0.01 -0.01 0.00 0.00 3 6 0.06 0.02 -0.06 -0.07 -0.07 0.07 0.05 0.10 0.00 4 6 0.06 -0.02 -0.06 0.07 -0.07 -0.07 0.05 -0.10 0.00 5 6 -0.17 -0.01 0.19 -0.01 -0.01 0.01 -0.01 0.00 0.00 6 6 0.05 0.01 -0.06 -0.04 -0.05 0.06 0.00 0.01 0.00 7 1 0.19 -0.36 -0.23 -0.14 0.40 0.16 0.00 -0.02 -0.01 8 1 0.21 0.34 -0.20 0.17 0.47 -0.15 -0.24 -0.16 0.05 9 1 0.21 -0.34 -0.20 -0.17 0.47 0.15 -0.24 0.16 0.05 10 1 0.19 0.36 -0.23 0.14 0.40 -0.16 0.00 0.02 -0.01 11 8 0.02 -0.01 -0.03 0.00 0.04 0.00 -0.01 -0.02 0.00 12 8 0.02 0.01 -0.03 0.00 0.04 0.00 -0.01 0.02 0.00 13 6 -0.01 0.00 -0.01 0.00 0.00 0.00 0.08 0.00 -0.10 14 1 0.00 0.00 -0.01 0.00 0.03 0.00 0.02 0.00 0.07 15 1 0.01 0.00 -0.01 0.00 0.00 0.00 0.07 0.00 -0.11 16 6 0.00 0.01 0.01 0.00 0.00 0.00 -0.12 0.03 0.19 17 1 -0.01 0.01 -0.01 0.01 0.00 0.01 0.32 0.25 -0.35 18 6 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.11 -0.12 19 1 -0.01 0.02 0.01 0.00 0.01 0.01 0.00 0.11 0.03 20 6 0.00 0.00 0.01 0.00 0.00 0.00 -0.12 -0.03 0.19 21 1 -0.01 -0.01 -0.02 0.00 0.00 -0.01 0.32 -0.25 -0.35 22 6 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.11 -0.12 23 1 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.11 0.03 46 47 48 A A A Frequencies -- 1409.7210 1464.4992 1497.1515 Red. masses -- 2.3988 3.1485 1.4994 Frc consts -- 2.8087 3.9786 1.9801 IR Inten -- 0.7334 13.2137 4.7048 Atom AN X Y Z X Y Z X Y Z 1 6 0.10 -0.07 -0.11 0.01 -0.03 0.00 0.00 0.01 0.00 2 6 -0.09 0.00 0.09 -0.02 0.01 0.01 0.00 -0.01 0.00 3 6 0.08 0.06 -0.10 0.05 0.24 -0.01 -0.01 -0.09 0.01 4 6 -0.08 0.06 0.10 0.05 -0.24 -0.01 -0.01 0.09 0.01 5 6 0.09 0.00 -0.09 -0.02 -0.01 0.01 0.00 0.01 0.00 6 6 -0.10 -0.07 0.11 0.01 0.03 0.00 0.00 -0.01 0.00 7 1 -0.12 0.50 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 8 1 -0.06 -0.37 0.10 -0.20 -0.19 0.16 0.08 0.08 -0.07 9 1 0.06 -0.37 -0.10 -0.20 0.19 0.16 0.08 -0.08 -0.07 10 1 0.12 0.50 -0.16 0.00 0.02 0.00 0.00 0.00 0.00 11 8 0.01 0.00 -0.01 -0.01 -0.04 0.00 0.00 0.02 0.00 12 8 -0.01 0.00 0.01 -0.01 0.04 0.00 0.00 -0.02 0.00 13 6 0.00 0.00 0.00 -0.02 0.00 0.03 0.06 0.00 -0.05 14 1 0.00 -0.05 0.00 -0.06 0.00 0.14 -0.15 0.00 0.64 15 1 0.00 -0.01 0.00 -0.20 0.00 0.05 -0.66 0.00 0.01 16 6 0.01 0.00 0.01 0.04 0.03 -0.13 0.01 0.02 0.00 17 1 -0.02 0.00 -0.01 -0.12 -0.12 0.38 -0.03 -0.01 0.09 18 6 0.00 0.00 0.00 -0.01 -0.12 0.04 0.00 -0.10 -0.02 19 1 0.00 -0.01 -0.01 -0.08 0.15 0.25 -0.04 0.08 0.12 20 6 -0.01 0.00 -0.01 0.04 -0.03 -0.13 0.01 -0.02 0.00 21 1 0.02 0.00 0.01 -0.12 0.12 0.38 -0.03 0.01 0.09 22 6 0.00 0.00 0.00 -0.01 0.12 0.04 0.00 0.10 -0.02 23 1 0.00 -0.01 0.01 -0.08 -0.15 0.25 -0.04 -0.08 0.12 49 50 51 A A A Frequencies -- 1509.0545 1509.6295 1670.2637 Red. masses -- 3.2060 2.0427 7.8217 Frc consts -- 4.3016 2.7429 12.8564 IR Inten -- 15.2073 0.7058 22.8118 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 -0.01 0.00 -0.03 0.53 0.05 2 6 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.09 0.00 3 6 -0.01 0.00 0.00 0.01 0.10 -0.01 0.00 0.03 0.00 4 6 0.01 0.00 0.00 0.01 -0.10 -0.01 0.00 -0.03 0.00 5 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.02 -0.09 0.00 6 6 0.00 0.00 0.00 0.00 0.01 0.00 -0.03 -0.53 0.05 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.27 -0.12 -0.33 8 1 0.04 -0.01 0.02 -0.04 -0.06 0.07 -0.03 -0.02 0.02 9 1 -0.04 0.00 -0.02 -0.04 0.06 0.07 -0.03 0.02 0.02 10 1 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.12 -0.33 11 8 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 -0.12 -0.02 12 8 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.12 -0.02 13 6 0.00 0.04 0.00 0.06 0.00 -0.05 0.00 0.00 0.00 14 1 0.00 -0.08 0.02 -0.10 0.00 0.52 0.01 0.00 -0.01 15 1 -0.02 -0.31 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 16 6 0.06 -0.04 -0.18 -0.01 -0.05 0.01 0.00 0.00 0.00 17 1 -0.08 -0.17 0.15 0.07 0.00 -0.20 0.01 0.00 0.00 18 6 -0.06 0.10 0.22 0.00 0.17 0.03 0.00 0.00 0.00 19 1 0.03 -0.51 -0.18 0.05 -0.16 -0.22 0.00 0.00 0.00 20 6 -0.06 -0.04 0.18 0.00 0.06 0.00 0.00 0.00 0.00 21 1 0.09 -0.17 -0.17 0.06 0.01 -0.19 0.01 0.00 0.00 22 6 0.06 0.09 -0.22 -0.01 -0.17 0.04 0.00 0.00 0.00 23 1 -0.03 -0.50 0.16 0.05 0.18 -0.22 0.00 0.00 0.00 52 53 54 A A A Frequencies -- 1748.6111 1750.6628 3018.9328 Red. masses -- 10.7577 9.9708 1.0716 Frc consts -- 19.3800 18.0047 5.7545 IR Inten -- 397.2307 82.1770 16.0021 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 -0.05 0.00 0.01 -0.16 -0.02 0.00 0.00 0.00 2 6 0.07 0.53 0.04 0.07 0.49 0.04 0.00 0.00 0.00 3 6 -0.01 -0.06 0.01 -0.02 -0.08 0.01 0.00 0.00 0.00 4 6 0.01 -0.06 -0.01 -0.02 0.08 0.01 0.00 0.00 0.00 5 6 -0.07 0.52 -0.04 0.07 -0.49 0.04 0.00 0.00 0.00 6 6 0.00 -0.05 0.00 0.01 0.16 -0.02 0.00 0.00 0.00 7 1 -0.08 0.18 0.10 -0.11 0.19 0.16 0.00 0.00 0.00 8 1 0.10 0.19 -0.08 0.10 0.18 -0.07 0.00 0.00 0.00 9 1 -0.09 0.18 0.08 0.11 -0.18 -0.08 0.00 0.00 0.00 10 1 0.08 0.18 -0.10 -0.11 -0.19 0.16 0.00 0.00 0.00 11 8 -0.04 -0.33 -0.03 -0.04 -0.30 -0.03 0.00 0.00 0.00 12 8 0.04 -0.33 0.03 -0.04 0.30 -0.03 0.00 0.00 0.00 13 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 -0.01 14 1 0.00 0.02 0.00 0.00 0.00 0.02 0.95 0.00 0.26 15 1 0.00 -0.01 0.00 -0.02 0.00 0.00 -0.03 0.00 -0.16 16 6 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 17 1 0.04 0.00 0.01 0.03 0.01 0.00 0.00 0.01 0.01 18 6 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 19 1 0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 20 6 0.01 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 21 1 -0.03 0.00 -0.01 0.03 -0.01 0.00 0.00 -0.01 0.01 22 6 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 23 1 -0.01 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 55 56 57 A A A Frequencies -- 3140.6572 3189.0852 3189.9332 Red. masses -- 1.0910 1.0875 1.0869 Frc consts -- 6.3404 6.5168 6.5161 IR Inten -- 14.1105 3.7615 2.1662 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.01 -0.01 0.01 0.03 0.03 -0.04 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.02 -0.03 -0.05 0.00 -0.01 -0.01 4 6 0.00 0.00 0.00 -0.02 -0.03 0.05 0.00 -0.01 0.01 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.03 0.03 0.04 7 1 0.00 0.00 0.00 0.08 0.07 -0.08 -0.40 -0.37 0.43 8 1 0.01 -0.02 -0.03 -0.24 0.34 0.55 -0.04 0.06 0.10 9 1 0.01 0.02 -0.03 0.24 0.34 -0.55 0.04 0.06 -0.10 10 1 0.00 0.00 0.00 -0.08 0.07 0.08 0.40 -0.37 -0.43 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 14 1 0.14 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.06 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 16 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 1 0.01 -0.03 -0.01 0.00 -0.03 -0.01 0.00 -0.01 0.00 18 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 1 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 20 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.01 0.03 -0.01 0.00 -0.03 0.01 0.00 -0.01 0.00 22 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 58 59 60 A A A Frequencies -- 3202.8735 3208.8180 3220.9473 Red. masses -- 1.0927 1.0979 1.0866 Frc consts -- 6.6044 6.6604 6.6419 IR Inten -- 7.0788 8.2276 0.0188 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.01 -0.01 0.03 0.04 -0.04 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.02 -0.03 -0.05 -0.01 0.01 0.01 0.00 0.00 0.00 4 6 0.02 0.03 -0.05 -0.01 -0.01 0.01 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.01 -0.01 -0.01 0.03 -0.04 -0.04 0.00 0.00 0.00 7 1 -0.09 -0.09 0.10 -0.39 -0.36 0.43 0.00 0.00 0.00 8 1 -0.23 0.34 0.54 0.06 -0.08 -0.13 0.01 -0.01 -0.02 9 1 -0.23 -0.34 0.54 0.06 0.08 -0.13 -0.01 -0.01 0.02 10 1 -0.09 0.09 0.10 -0.39 0.36 0.43 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.00 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 0.00 16 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 17 1 0.01 -0.04 -0.01 0.00 0.01 0.00 0.06 -0.39 -0.10 18 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 0.04 19 1 0.00 0.01 -0.01 0.00 0.00 0.00 0.17 0.33 -0.44 20 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 21 1 0.01 0.04 -0.01 0.00 -0.01 0.00 -0.06 -0.39 0.10 22 6 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 -0.04 23 1 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.17 0.33 0.44 61 62 63 A A A Frequencies -- 3228.7868 3237.0337 3246.9990 Red. masses -- 1.0915 1.0954 1.1038 Frc consts -- 6.7040 6.7627 6.8564 IR Inten -- 3.7565 6.6411 3.2259 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 -0.01 0.02 0.03 -0.01 0.01 0.02 0.00 -0.01 -0.01 9 1 -0.01 -0.02 0.03 0.01 0.01 -0.02 0.00 0.01 -0.01 10 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 1 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 15 1 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 -0.03 16 6 0.01 -0.05 -0.01 0.01 -0.05 -0.01 0.00 0.03 0.01 17 1 -0.09 0.58 0.14 -0.09 0.55 0.14 0.05 -0.35 -0.09 18 6 0.01 0.02 -0.02 -0.01 -0.02 0.03 0.02 0.03 -0.04 19 1 -0.11 -0.21 0.27 0.12 0.23 -0.31 -0.18 -0.35 0.46 20 6 0.01 0.05 -0.01 -0.01 -0.05 0.01 0.00 -0.03 0.01 21 1 -0.09 -0.58 0.14 0.08 0.55 -0.14 0.05 0.34 -0.09 22 6 0.01 -0.02 -0.02 0.01 -0.02 -0.03 0.02 -0.03 -0.04 23 1 -0.11 0.21 0.27 -0.12 0.23 0.31 -0.18 0.35 0.46 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 6 and mass 12.00000 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 6 and mass 12.00000 Atom 5 has atomic number 6 and mass 12.00000 Atom 6 has atomic number 6 and mass 12.00000 Atom 7 has atomic number 1 and mass 1.00783 Atom 8 has atomic number 1 and mass 1.00783 Atom 9 has atomic number 1 and mass 1.00783 Atom 10 has atomic number 1 and mass 1.00783 Atom 11 has atomic number 8 and mass 15.99491 Atom 12 has atomic number 8 and mass 15.99491 Atom 13 has atomic number 6 and mass 12.00000 Atom 14 has atomic number 1 and mass 1.00783 Atom 15 has atomic number 1 and mass 1.00783 Atom 16 has atomic number 6 and mass 12.00000 Atom 17 has atomic number 1 and mass 1.00783 Atom 18 has atomic number 6 and mass 12.00000 Atom 19 has atomic number 1 and mass 1.00783 Atom 20 has atomic number 6 and mass 12.00000 Atom 21 has atomic number 1 and mass 1.00783 Atom 22 has atomic number 6 and mass 12.00000 Atom 23 has atomic number 1 and mass 1.00783 Molecular mass: 174.06808 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 1727.322531824.426882709.57786 X 0.99941 0.00026 -0.03448 Y -0.00026 1.00000 -0.00001 Z 0.03448 0.00002 0.99941 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.05014 0.04747 0.03197 Rotational constants (GHZ): 1.04482 0.98921 0.66606 1 imaginary frequencies ignored. Zero-point vibrational energy 475621.0 (Joules/Mol) 113.67614 (Kcal/Mol) Warning -- explicit consideration of 14 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 120.27 145.50 182.74 191.18 266.76 (Kelvin) 392.89 409.43 580.06 627.43 655.69 680.27 687.53 819.83 842.85 906.47 1096.12 1116.69 1118.53 1140.43 1162.91 1163.38 1222.09 1231.18 1273.34 1319.79 1339.81 1393.95 1410.55 1416.56 1446.21 1464.54 1481.41 1557.24 1581.22 1595.80 1625.34 1648.44 1676.17 1792.90 1867.40 1903.45 1903.68 2001.96 2003.51 2028.27 2107.09 2154.06 2171.19 2172.02 2403.13 2515.86 2518.81 4343.57 4518.70 4588.38 4589.60 4608.21 4616.77 4634.22 4645.50 4657.36 4671.70 Zero-point correction= 0.181154 (Hartree/Particle) Thermal correction to Energy= 0.191373 Thermal correction to Enthalpy= 0.192317 Thermal correction to Gibbs Free Energy= 0.145295 Sum of electronic and zero-point Energies= -575.347993 Sum of electronic and thermal Energies= -575.337774 Sum of electronic and thermal Enthalpies= -575.336830 Sum of electronic and thermal Free Energies= -575.383852 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 120.088 40.753 98.966 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 41.370 Rotational 0.889 2.981 30.525 Vibrational 118.311 34.791 27.071 Vibration 1 0.600 1.960 3.805 Vibration 2 0.604 1.948 3.432 Vibration 3 0.611 1.926 2.991 Vibration 4 0.613 1.920 2.904 Vibration 5 0.631 1.860 2.273 Vibration 6 0.676 1.723 1.577 Vibration 7 0.683 1.702 1.506 Vibration 8 0.769 1.463 0.951 Vibration 9 0.797 1.392 0.839 Vibration 10 0.814 1.348 0.779 Vibration 11 0.830 1.310 0.730 Vibration 12 0.834 1.299 0.716 Vibration 13 0.926 1.097 0.505 Vibration 14 0.943 1.062 0.475 Q Log10(Q) Ln(Q) Total Bot 0.147530D-66 -66.831119 -153.884338 Total V=0 0.311870D+17 16.493973 37.978777 Vib (Bot) 0.156243D-80 -80.806200 -186.063151 Vib (Bot) 1 0.246234D+01 0.391349 0.901113 Vib (Bot) 2 0.202891D+01 0.307264 0.707501 Vib (Bot) 3 0.160627D+01 0.205818 0.473914 Vib (Bot) 4 0.153311D+01 0.185575 0.427301 Vib (Bot) 5 0.108126D+01 0.033931 0.078129 Vib (Bot) 6 0.706609D+00 -0.150821 -0.347278 Vib (Bot) 7 0.673989D+00 -0.171347 -0.394542 Vib (Bot) 8 0.441072D+00 -0.355490 -0.818547 Vib (Bot) 9 0.397644D+00 -0.400506 -0.922199 Vib (Bot) 10 0.374535D+00 -0.426507 -0.982069 Vib (Bot) 11 0.355898D+00 -0.448675 -1.033112 Vib (Bot) 12 0.350635D+00 -0.455145 -1.048011 Vib (Bot) 13 0.270148D+00 -0.568398 -1.308784 Vib (Bot) 14 0.258606D+00 -0.587362 -1.352450 Vib (V=0) 0.330287D+03 2.518892 5.799963 Vib (V=0) 1 0.301260D+01 0.478941 1.102802 Vib (V=0) 2 0.258962D+01 0.413235 0.951510 Vib (V=0) 3 0.218229D+01 0.338912 0.780375 Vib (V=0) 4 0.211259D+01 0.324815 0.747914 Vib (V=0) 5 0.169127D+01 0.228213 0.525481 Vib (V=0) 6 0.136562D+01 0.135330 0.311608 Vib (V=0) 7 0.133920D+01 0.126846 0.292074 Vib (V=0) 8 0.116674D+01 0.066975 0.154215 Vib (V=0) 9 0.113884D+01 0.056464 0.130013 Vib (V=0) 10 0.112472D+01 0.051045 0.117535 Vib (V=0) 11 0.111373D+01 0.046780 0.107714 Vib (V=0) 12 0.111069D+01 0.045594 0.104983 Vib (V=0) 13 0.106831D+01 0.028699 0.066081 Vib (V=0) 14 0.106292D+01 0.026500 0.061018 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.902680D+08 7.955534 18.318294 Rotational 0.104604D+07 6.019547 13.860520 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000002737 0.000008825 0.000001694 2 6 -0.000017890 0.000000072 -0.000012093 3 6 0.000020672 -0.000015294 0.000014227 4 6 0.000003235 0.000015885 0.000004129 5 6 -0.000013448 0.000001067 -0.000004659 6 6 -0.000002989 -0.000008524 -0.000000535 7 1 0.000000314 0.000000331 0.000001931 8 1 -0.000009726 0.000002146 -0.000002701 9 1 -0.000002955 -0.000000499 -0.000000923 10 1 0.000000077 -0.000000195 0.000001527 11 8 0.000003674 0.000005359 0.000002921 12 8 0.000003326 -0.000004517 0.000003505 13 6 0.000002798 -0.000000963 0.000007254 14 1 -0.000001419 -0.000001244 0.000002058 15 1 0.000000866 0.000001031 -0.000000900 16 6 -0.000025063 0.000008453 0.000006830 17 1 0.000010879 -0.000000153 0.000003799 18 6 0.000021887 -0.000016305 -0.000017220 19 1 0.000001369 -0.000000165 -0.000001498 20 6 0.000000501 -0.000001501 -0.000018760 21 1 -0.000001440 -0.000000116 -0.000003101 22 6 0.000006734 0.000005743 0.000013850 23 1 0.000001333 0.000000564 -0.000001337 ------------------------------------------------------------------- Cartesian Forces: Max 0.000025063 RMS 0.000008373 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000020550 RMS 0.000004164 Search for a saddle point. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- -0.02348 0.00351 0.00502 0.00606 0.00847 Eigenvalues --- 0.01245 0.01268 0.01437 0.01553 0.01665 Eigenvalues --- 0.01987 0.02146 0.02218 0.02538 0.02601 Eigenvalues --- 0.03068 0.03430 0.03574 0.03624 0.03886 Eigenvalues --- 0.04251 0.04284 0.04944 0.05152 0.05420 Eigenvalues --- 0.06069 0.07195 0.07532 0.07942 0.08931 Eigenvalues --- 0.10263 0.10330 0.10979 0.11918 0.13573 Eigenvalues --- 0.15564 0.15939 0.17624 0.20709 0.21718 Eigenvalues --- 0.22922 0.25021 0.25723 0.28518 0.30682 Eigenvalues --- 0.31427 0.31665 0.32534 0.33876 0.34929 Eigenvalues --- 0.35999 0.36055 0.36200 0.36213 0.36761 Eigenvalues --- 0.36765 0.36817 0.37098 0.39335 0.43233 Eigenvalues --- 0.55726 0.81311 0.81375 Eigenvectors required to have negative eigenvalues: R11 R8 D18 D16 D60 1 0.57027 0.57009 0.14775 -0.14775 0.14539 D69 D36 D13 R6 D63 1 -0.14538 0.11657 -0.11657 -0.10919 -0.10849 Angle between quadratic step and forces= 57.52 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00022233 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000002 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.81285 0.00000 0.00000 0.00000 0.00000 2.81285 R2 2.54161 -0.00001 0.00000 -0.00002 -0.00002 2.54159 R3 2.05479 0.00000 0.00000 0.00000 0.00000 2.05479 R4 2.79738 0.00000 0.00000 0.00003 0.00003 2.79741 R5 2.31924 -0.00001 0.00000 -0.00001 -0.00001 2.31923 R6 2.66466 0.00001 0.00000 -0.00002 -0.00002 2.66464 R7 2.05260 0.00000 0.00000 0.00000 0.00000 2.05259 R8 4.16605 0.00001 0.00000 0.00023 0.00023 4.16627 R9 2.79740 0.00001 0.00000 0.00001 0.00001 2.79740 R10 2.05259 0.00000 0.00000 0.00000 0.00000 2.05259 R11 4.16587 0.00000 0.00000 0.00042 0.00042 4.16629 R12 2.81285 0.00000 0.00000 0.00000 0.00000 2.81285 R13 2.31923 -0.00001 0.00000 0.00000 0.00000 2.31923 R14 2.05479 0.00000 0.00000 0.00000 0.00000 2.05479 R15 2.08362 0.00000 0.00000 0.00000 0.00000 2.08362 R16 2.06238 0.00000 0.00000 0.00000 0.00000 2.06239 R17 2.85756 0.00000 0.00000 0.00000 0.00000 2.85756 R18 2.85759 0.00000 0.00000 -0.00004 -0.00004 2.85756 R19 2.04974 0.00000 0.00000 0.00000 0.00000 2.04975 R20 2.65633 -0.00002 0.00000 -0.00008 -0.00008 2.65625 R21 2.04928 0.00000 0.00000 0.00000 0.00000 2.04928 R22 2.64416 0.00001 0.00000 0.00007 0.00007 2.64422 R23 2.04975 0.00000 0.00000 0.00000 0.00000 2.04975 R24 2.65627 0.00001 0.00000 -0.00002 -0.00002 2.65625 R25 2.04928 0.00000 0.00000 0.00000 0.00000 2.04928 A1 2.12900 0.00000 0.00000 -0.00001 -0.00001 2.12899 A2 2.01867 0.00000 0.00000 0.00001 0.00001 2.01868 A3 2.13416 0.00000 0.00000 0.00001 0.00001 2.13417 A4 2.03340 0.00000 0.00000 0.00004 0.00004 2.03344 A5 2.10685 0.00000 0.00000 -0.00001 -0.00001 2.10684 A6 2.14291 0.00000 0.00000 -0.00003 -0.00003 2.14287 A7 2.10670 -0.00001 0.00000 -0.00004 -0.00004 2.10666 A8 1.99041 0.00000 0.00000 -0.00006 -0.00006 1.99034 A9 1.73572 0.00001 0.00000 0.00024 0.00024 1.73596 A10 2.09245 0.00000 0.00000 -0.00001 -0.00001 2.09244 A11 1.77603 0.00000 0.00000 0.00003 0.00003 1.77606 A12 1.59928 0.00000 0.00000 -0.00001 -0.00001 1.59927 A13 2.10665 0.00000 0.00000 0.00001 0.00001 2.10666 A14 2.09241 0.00000 0.00000 0.00002 0.00002 2.09244 A15 1.77610 0.00000 0.00000 -0.00005 -0.00005 1.77606 A16 1.99034 0.00000 0.00000 0.00000 0.00000 1.99034 A17 1.73583 0.00001 0.00000 0.00013 0.00013 1.73596 A18 1.59943 0.00000 0.00000 -0.00016 -0.00016 1.59927 A19 2.03341 0.00000 0.00000 0.00003 0.00003 2.03344 A20 2.14290 0.00000 0.00000 -0.00002 -0.00002 2.14287 A21 2.10685 0.00000 0.00000 -0.00001 -0.00001 2.10684 A22 2.12900 0.00000 0.00000 -0.00001 -0.00001 2.12899 A23 2.13416 0.00000 0.00000 0.00001 0.00001 2.13417 A24 2.01868 0.00000 0.00000 0.00000 0.00000 2.01868 A25 1.88270 0.00000 0.00000 0.00000 0.00000 1.88270 A26 1.89068 0.00000 0.00000 -0.00007 -0.00007 1.89060 A27 1.89064 0.00000 0.00000 -0.00003 -0.00003 1.89060 A28 2.02695 0.00000 0.00000 0.00004 0.00004 2.02699 A29 2.02697 0.00000 0.00000 0.00002 0.00002 2.02699 A30 1.73713 0.00000 0.00000 0.00004 0.00004 1.73716 A31 1.55574 0.00000 0.00000 -0.00002 -0.00002 1.55572 A32 1.77772 0.00000 0.00000 0.00017 0.00017 1.77789 A33 1.77554 0.00001 0.00000 0.00006 0.00006 1.77560 A34 2.15981 0.00000 0.00000 -0.00007 -0.00007 2.15973 A35 1.85844 0.00000 0.00000 -0.00002 -0.00002 1.85842 A36 2.16626 0.00000 0.00000 -0.00002 -0.00002 2.16624 A37 2.18470 0.00000 0.00000 0.00000 0.00000 2.18470 A38 1.90024 0.00000 0.00000 0.00002 0.00002 1.90026 A39 2.19030 0.00000 0.00000 -0.00002 -0.00002 2.19029 A40 1.55574 0.00000 0.00000 -0.00002 -0.00002 1.55572 A41 1.77799 0.00000 0.00000 -0.00010 -0.00010 1.77789 A42 1.77561 0.00001 0.00000 -0.00001 -0.00001 1.77560 A43 2.15970 0.00000 0.00000 0.00003 0.00003 2.15973 A44 1.85842 0.00000 0.00000 0.00000 0.00000 1.85842 A45 2.16619 0.00000 0.00000 0.00005 0.00005 2.16624 A46 1.90027 0.00000 0.00000 -0.00002 -0.00002 1.90026 A47 2.19027 0.00000 0.00000 0.00001 0.00001 2.19029 A48 2.18469 0.00000 0.00000 0.00001 0.00001 2.18470 D1 0.17854 0.00000 0.00000 -0.00002 -0.00002 0.17852 D2 -2.95586 0.00000 0.00000 -0.00005 -0.00005 -2.95590 D3 -3.01762 0.00000 0.00000 0.00000 0.00000 -3.01762 D4 0.13117 0.00000 0.00000 -0.00002 -0.00002 0.13115 D5 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D6 3.08341 0.00000 0.00000 0.00004 0.00004 3.08344 D7 -3.08341 0.00000 0.00000 -0.00004 -0.00004 -3.08344 D8 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D9 -0.17600 0.00000 0.00000 -0.00008 -0.00008 -0.17608 D10 -2.86554 0.00001 0.00000 0.00019 0.00019 -2.86535 D11 1.74079 0.00000 0.00000 0.00011 0.00011 1.74089 D12 2.95823 0.00000 0.00000 -0.00006 -0.00006 2.95818 D13 0.26869 0.00001 0.00000 0.00021 0.00021 0.26890 D14 -1.40817 0.00000 0.00000 0.00013 0.00013 -1.40804 D15 -0.00022 0.00000 0.00000 0.00022 0.00022 0.00000 D16 -2.66331 0.00001 0.00000 0.00013 0.00013 -2.66318 D17 1.89506 0.00001 0.00000 0.00035 0.00035 1.89541 D18 2.66326 -0.00001 0.00000 -0.00008 -0.00008 2.66317 D19 0.00016 0.00000 0.00000 -0.00017 -0.00017 -0.00001 D20 -1.72465 0.00000 0.00000 0.00005 0.00005 -1.72460 D21 -1.89533 -0.00001 0.00000 -0.00009 -0.00009 -1.89542 D22 1.72476 -0.00001 0.00000 -0.00017 -0.00017 1.72459 D23 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D24 -2.85057 0.00000 0.00000 -0.00009 -0.00009 -2.85066 D25 1.26193 0.00000 0.00000 -0.00003 -0.00003 1.26190 D26 -0.98905 0.00000 0.00000 -0.00011 -0.00011 -0.98916 D27 -0.68130 0.00000 0.00000 -0.00003 -0.00003 -0.68133 D28 -2.85198 0.00000 0.00000 0.00003 0.00003 -2.85196 D29 1.18022 0.00000 0.00000 -0.00005 -0.00005 1.18017 D30 1.43066 0.00000 0.00000 -0.00005 -0.00005 1.43062 D31 -0.74002 0.00000 0.00000 0.00001 0.00001 -0.74001 D32 -2.99100 0.00000 0.00000 -0.00007 -0.00007 -2.99107 D33 0.17632 0.00000 0.00000 -0.00024 -0.00024 0.17608 D34 -2.95793 0.00000 0.00000 -0.00025 -0.00025 -2.95818 D35 2.86551 -0.00001 0.00000 -0.00016 -0.00016 2.86536 D36 -0.26874 0.00000 0.00000 -0.00016 -0.00016 -0.26890 D37 -1.74061 0.00000 0.00000 -0.00028 -0.00028 -1.74089 D38 1.40832 0.00000 0.00000 -0.00028 -0.00028 1.40804 D39 0.68139 0.00000 0.00000 -0.00005 -0.00005 0.68134 D40 2.85201 0.00000 0.00000 -0.00004 -0.00004 2.85196 D41 -1.18012 0.00000 0.00000 -0.00004 -0.00004 -1.18016 D42 2.85068 0.00000 0.00000 -0.00001 -0.00001 2.85067 D43 -1.26189 0.00000 0.00000 0.00000 0.00000 -1.26189 D44 0.98916 0.00000 0.00000 0.00000 0.00000 0.98917 D45 -1.43058 0.00000 0.00000 -0.00003 -0.00003 -1.43061 D46 0.74003 0.00000 0.00000 -0.00002 -0.00002 0.74002 D47 2.99109 0.00000 0.00000 -0.00002 -0.00002 2.99107 D48 -0.17865 0.00000 0.00000 0.00014 0.00014 -0.17851 D49 3.01752 0.00000 0.00000 0.00010 0.00010 3.01762 D50 2.95576 0.00000 0.00000 0.00014 0.00014 2.95590 D51 -0.13125 0.00000 0.00000 0.00010 0.00010 -0.13115 D52 -3.04178 0.00000 0.00000 0.00001 0.00001 -3.04178 D53 -1.23166 0.00000 0.00000 0.00020 0.00020 -1.23146 D54 1.46149 -0.00001 0.00000 -0.00004 -0.00004 1.46144 D55 -0.92106 0.00000 0.00000 -0.00002 -0.00002 -0.92108 D56 0.88906 0.00000 0.00000 0.00017 0.00017 0.88923 D57 -2.70098 -0.00001 0.00000 -0.00007 -0.00007 -2.70105 D58 1.26838 0.00000 0.00000 0.00006 0.00006 1.26844 D59 3.07850 0.00000 0.00000 0.00024 0.00024 3.07875 D60 -0.51154 -0.00001 0.00000 0.00000 0.00000 -0.51153 D61 3.04171 0.00000 0.00000 0.00007 0.00007 3.04178 D62 1.23126 0.00000 0.00000 0.00021 0.00021 1.23147 D63 -1.46149 0.00001 0.00000 0.00005 0.00005 -1.46144 D64 0.92100 0.00000 0.00000 0.00008 0.00008 0.92108 D65 -0.88944 0.00000 0.00000 0.00022 0.00022 -0.88923 D66 2.70099 0.00001 0.00000 0.00006 0.00006 2.70105 D67 -1.26843 0.00000 0.00000 -0.00001 -0.00001 -1.26843 D68 -3.07887 0.00000 0.00000 0.00013 0.00013 -3.07874 D69 0.51156 0.00000 0.00000 -0.00003 -0.00003 0.51153 D70 1.73684 0.00000 0.00000 0.00002 0.00002 1.73685 D71 -1.27552 0.00000 0.00000 0.00002 0.00002 -1.27550 D72 -2.93014 0.00000 0.00000 0.00001 0.00001 -2.93012 D73 0.34069 0.00000 0.00000 0.00002 0.00002 0.34071 D74 -0.23909 -0.00001 0.00000 -0.00025 -0.00025 -0.23933 D75 3.03174 0.00000 0.00000 -0.00024 -0.00024 3.03150 D76 0.00005 0.00000 0.00000 -0.00005 -0.00005 0.00000 D77 3.01187 0.00000 0.00000 -0.00004 -0.00004 3.01184 D78 -3.01179 0.00000 0.00000 -0.00005 -0.00005 -3.01184 D79 0.00003 0.00000 0.00000 -0.00003 -0.00003 0.00000 D80 1.27547 0.00000 0.00000 0.00002 0.00002 1.27549 D81 -1.73687 0.00000 0.00000 0.00001 0.00001 -1.73686 D82 -0.34076 0.00000 0.00000 0.00006 0.00006 -0.34071 D83 2.93008 0.00000 0.00000 0.00004 0.00004 2.93013 D84 -3.03141 0.00000 0.00000 -0.00010 -0.00010 -3.03150 D85 0.23944 0.00000 0.00000 -0.00011 -0.00011 0.23933 Item Value Threshold Converged? Maximum Force 0.000021 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.000979 0.001800 YES RMS Displacement 0.000222 0.001200 YES Predicted change in Energy=-1.807533D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4885 -DE/DX = 0.0 ! ! R2 R(1,6) 1.345 -DE/DX = 0.0 ! ! R3 R(1,7) 1.0873 -DE/DX = 0.0 ! ! R4 R(2,3) 1.4803 -DE/DX = 0.0 ! ! R5 R(2,11) 1.2273 -DE/DX = 0.0 ! ! R6 R(3,4) 1.4101 -DE/DX = 0.0 ! ! R7 R(3,8) 1.0862 -DE/DX = 0.0 ! ! R8 R(3,16) 2.2046 -DE/DX = 0.0 ! ! R9 R(4,5) 1.4803 -DE/DX = 0.0 ! ! R10 R(4,9) 1.0862 -DE/DX = 0.0 ! ! R11 R(4,20) 2.2045 -DE/DX = 0.0 ! ! R12 R(5,6) 1.4885 -DE/DX = 0.0 ! ! R13 R(5,12) 1.2273 -DE/DX = 0.0 ! ! R14 R(6,10) 1.0873 -DE/DX = 0.0 ! ! R15 R(13,14) 1.1026 -DE/DX = 0.0 ! ! R16 R(13,15) 1.0914 -DE/DX = 0.0 ! ! R17 R(13,16) 1.5122 -DE/DX = 0.0 ! ! R18 R(13,20) 1.5122 -DE/DX = 0.0 ! ! R19 R(16,17) 1.0847 -DE/DX = 0.0 ! ! R20 R(16,18) 1.4057 -DE/DX = 0.0 ! ! R21 R(18,19) 1.0844 -DE/DX = 0.0 ! ! R22 R(18,22) 1.3992 -DE/DX = 0.0 ! ! R23 R(20,21) 1.0847 -DE/DX = 0.0 ! ! R24 R(20,22) 1.4056 -DE/DX = 0.0 ! ! R25 R(22,23) 1.0844 -DE/DX = 0.0 ! ! A1 A(2,1,6) 121.983 -DE/DX = 0.0 ! ! A2 A(2,1,7) 115.6614 -DE/DX = 0.0 ! ! A3 A(6,1,7) 122.2785 -DE/DX = 0.0 ! ! A4 A(1,2,3) 116.5055 -DE/DX = 0.0 ! ! A5 A(1,2,11) 120.7136 -DE/DX = 0.0 ! ! A6 A(3,2,11) 122.7795 -DE/DX = 0.0 ! ! A7 A(2,3,4) 120.7051 -DE/DX = 0.0 ! ! A8 A(2,3,8) 114.0419 -DE/DX = 0.0 ! ! A9 A(2,3,16) 99.4493 -DE/DX = 0.0 ! ! A10 A(4,3,8) 119.8886 -DE/DX = 0.0 ! ! A11 A(4,3,16) 101.7589 -DE/DX = 0.0 ! ! A12 A(8,3,16) 91.6321 -DE/DX = 0.0 ! ! A13 A(3,4,5) 120.7022 -DE/DX = 0.0 ! ! A14 A(3,4,9) 119.8865 -DE/DX = 0.0 ! ! A15 A(3,4,20) 101.7631 -DE/DX = 0.0 ! ! A16 A(5,4,9) 114.0383 -DE/DX = 0.0 ! ! A17 A(5,4,20) 99.4556 -DE/DX = 0.0 ! ! A18 A(9,4,20) 91.6406 -DE/DX = 0.0 ! ! A19 A(4,5,6) 116.5058 -DE/DX = 0.0 ! ! A20 A(4,5,12) 122.779 -DE/DX = 0.0 ! ! A21 A(6,5,12) 120.7138 -DE/DX = 0.0 ! ! A22 A(1,6,5) 121.9825 -DE/DX = 0.0 ! ! A23 A(1,6,10) 122.2785 -DE/DX = 0.0 ! ! A24 A(5,6,10) 115.6619 -DE/DX = 0.0 ! ! A25 A(14,13,15) 107.8707 -DE/DX = 0.0 ! ! A26 A(14,13,16) 108.3279 -DE/DX = 0.0 ! ! A27 A(14,13,20) 108.3256 -DE/DX = 0.0 ! ! A28 A(15,13,16) 116.1358 -DE/DX = 0.0 ! ! A29 A(15,13,20) 116.137 -DE/DX = 0.0 ! ! A30 A(16,13,20) 99.53 -DE/DX = 0.0 ! ! A31 A(3,16,13) 89.1373 -DE/DX = 0.0 ! ! A32 A(3,16,17) 101.8556 -DE/DX = 0.0 ! ! A33 A(3,16,18) 101.7311 -DE/DX = 0.0 ! ! A34 A(13,16,17) 123.7478 -DE/DX = 0.0 ! ! A35 A(13,16,18) 106.4807 -DE/DX = 0.0 ! ! A36 A(17,16,18) 124.1173 -DE/DX = 0.0 ! ! A37 A(16,18,19) 125.174 -DE/DX = 0.0 ! ! A38 A(16,18,22) 108.8757 -DE/DX = 0.0 ! ! A39 A(19,18,22) 125.4951 -DE/DX = 0.0 ! ! A40 A(4,20,13) 89.1375 -DE/DX = 0.0 ! ! A41 A(4,20,21) 101.8714 -DE/DX = 0.0 ! ! A42 A(4,20,22) 101.7351 -DE/DX = 0.0 ! ! A43 A(13,20,21) 123.7419 -DE/DX = 0.0 ! ! A44 A(13,20,22) 106.4799 -DE/DX = 0.0 ! ! A45 A(21,20,22) 124.1136 -DE/DX = 0.0 ! ! A46 A(18,22,20) 108.8777 -DE/DX = 0.0 ! ! A47 A(18,22,23) 125.4935 -DE/DX = 0.0 ! ! A48 A(20,22,23) 125.1735 -DE/DX = 0.0 ! ! D1 D(6,1,2,3) 10.2296 -DE/DX = 0.0 ! ! D2 D(6,1,2,11) -169.3581 -DE/DX = 0.0 ! ! D3 D(7,1,2,3) -172.8969 -DE/DX = 0.0 ! ! D4 D(7,1,2,11) 7.5155 -DE/DX = 0.0 ! ! D5 D(2,1,6,5) 0.0004 -DE/DX = 0.0 ! ! D6 D(2,1,6,10) 176.6662 -DE/DX = 0.0 ! ! D7 D(7,1,6,5) -176.6662 -DE/DX = 0.0 ! ! D8 D(7,1,6,10) -0.0004 -DE/DX = 0.0 ! ! D9 D(1,2,3,4) -10.084 -DE/DX = 0.0 ! ! D10 D(1,2,3,8) -164.1834 -DE/DX = 0.0 ! ! D11 D(1,2,3,16) 99.7396 -DE/DX = 0.0 ! ! D12 D(11,2,3,4) 169.4944 -DE/DX = 0.0 ! ! D13 D(11,2,3,8) 15.3949 -DE/DX = 0.0 ! ! D14 D(11,2,3,16) -80.6821 -DE/DX = 0.0 ! ! D15 D(2,3,4,5) -0.0123 -DE/DX = 0.0 ! ! D16 D(2,3,4,9) -152.5964 -DE/DX = 0.0 ! ! D17 D(2,3,4,20) 108.5791 -DE/DX = 0.0 ! ! D18 D(8,3,4,5) 152.5933 -DE/DX = 0.0 ! ! D19 D(8,3,4,9) 0.0092 -DE/DX = 0.0 ! ! D20 D(8,3,4,20) -98.8153 -DE/DX = 0.0 ! ! D21 D(16,3,4,5) -108.5943 -DE/DX = 0.0 ! ! D22 D(16,3,4,9) 98.8216 -DE/DX = 0.0 ! ! D23 D(16,3,4,20) -0.0029 -DE/DX = 0.0 ! ! D24 D(2,3,16,13) -163.3259 -DE/DX = 0.0 ! ! D25 D(2,3,16,17) 72.3031 -DE/DX = 0.0 ! ! D26 D(2,3,16,18) -56.6684 -DE/DX = 0.0 ! ! D27 D(4,3,16,13) -39.0356 -DE/DX = 0.0 ! ! D28 D(4,3,16,17) -163.4067 -DE/DX = 0.0 ! ! D29 D(4,3,16,18) 67.6219 -DE/DX = 0.0 ! ! D30 D(8,3,16,13) 81.9709 -DE/DX = 0.0 ! ! D31 D(8,3,16,17) -42.4002 -DE/DX = 0.0 ! ! D32 D(8,3,16,18) -171.3716 -DE/DX = 0.0 ! ! D33 D(3,4,5,6) 10.1023 -DE/DX = 0.0 ! ! D34 D(3,4,5,12) -169.4771 -DE/DX = 0.0 ! ! D35 D(9,4,5,6) 164.1818 -DE/DX = 0.0 ! ! D36 D(9,4,5,12) -15.3976 -DE/DX = 0.0 ! ! D37 D(20,4,5,6) -99.7296 -DE/DX = 0.0 ! ! D38 D(20,4,5,12) 80.691 -DE/DX = 0.0 ! ! D39 D(3,4,20,13) 39.0409 -DE/DX = 0.0 ! ! D40 D(3,4,20,21) 163.408 -DE/DX = 0.0 ! ! D41 D(3,4,20,22) -67.616 -DE/DX = 0.0 ! ! D42 D(5,4,20,13) 163.3317 -DE/DX = 0.0 ! ! D43 D(5,4,20,21) -72.3012 -DE/DX = 0.0 ! ! D44 D(5,4,20,22) 56.6748 -DE/DX = 0.0 ! ! D45 D(9,4,20,13) -81.9663 -DE/DX = 0.0 ! ! D46 D(9,4,20,21) 42.4007 -DE/DX = 0.0 ! ! D47 D(9,4,20,22) 171.3768 -DE/DX = 0.0 ! ! D48 D(4,5,6,1) -10.236 -DE/DX = 0.0 ! ! D49 D(4,5,6,10) 172.8912 -DE/DX = 0.0 ! ! D50 D(12,5,6,1) 169.3527 -DE/DX = 0.0 ! ! D51 D(12,5,6,10) -7.5202 -DE/DX = 0.0 ! ! D52 D(14,13,16,3) -174.2814 -DE/DX = 0.0 ! ! D53 D(14,13,16,17) -70.569 -DE/DX = 0.0 ! ! D54 D(14,13,16,18) 83.737 -DE/DX = 0.0 ! ! D55 D(15,13,16,3) -52.7729 -DE/DX = 0.0 ! ! D56 D(15,13,16,17) 50.9395 -DE/DX = 0.0 ! ! D57 D(15,13,16,18) -154.7546 -DE/DX = 0.0 ! ! D58 D(20,13,16,3) 72.6729 -DE/DX = 0.0 ! ! D59 D(20,13,16,17) 176.3853 -DE/DX = 0.0 ! ! D60 D(20,13,16,18) -29.3088 -DE/DX = 0.0 ! ! D61 D(14,13,20,4) 174.277 -DE/DX = 0.0 ! ! D62 D(14,13,20,21) 70.5461 -DE/DX = 0.0 ! ! D63 D(14,13,20,22) -83.7371 -DE/DX = 0.0 ! ! D64 D(15,13,20,4) 52.7695 -DE/DX = 0.0 ! ! D65 D(15,13,20,21) -50.9614 -DE/DX = 0.0 ! ! D66 D(15,13,20,22) 154.7553 -DE/DX = 0.0 ! ! D67 D(16,13,20,4) -72.6754 -DE/DX = 0.0 ! ! D68 D(16,13,20,21) -176.4063 -DE/DX = 0.0 ! ! D69 D(16,13,20,22) 29.3104 -DE/DX = 0.0 ! ! D70 D(3,16,18,19) 99.5134 -DE/DX = 0.0 ! ! D71 D(3,16,18,22) -73.082 -DE/DX = 0.0 ! ! D72 D(13,16,18,19) -167.8846 -DE/DX = 0.0 ! ! D73 D(13,16,18,22) 19.52 -DE/DX = 0.0 ! ! D74 D(17,16,18,19) -13.6986 -DE/DX = 0.0 ! ! D75 D(17,16,18,22) 173.706 -DE/DX = 0.0 ! ! D76 D(16,18,22,20) 0.0029 -DE/DX = 0.0 ! ! D77 D(16,18,22,23) 172.5677 -DE/DX = 0.0 ! ! D78 D(19,18,22,20) -172.5629 -DE/DX = 0.0 ! ! D79 D(19,18,22,23) 0.0019 -DE/DX = 0.0 ! ! D80 D(4,20,22,18) 73.079 -DE/DX = 0.0 ! ! D81 D(4,20,22,23) -99.5154 -DE/DX = 0.0 ! ! D82 D(13,20,22,18) -19.5243 -DE/DX = 0.0 ! ! D83 D(13,20,22,23) 167.8814 -DE/DX = 0.0 ! ! D84 D(21,20,22,18) -173.6868 -DE/DX = 0.0 ! ! D85 D(21,20,22,23) 13.7189 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-265|Freq|RB3LYP|6-31G(d)|C11H10O2|JR814|31- Oct-2016|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3 1G(d) Freq||Title Card Required||0,1|C,0.1459883033,-1.8540626137,0.01 79967843|C,0.9809955275,-2.6704312739,-0.9050024545|C,2.0287086659,-1. 9482290577,-1.6613329995|C,2.0731339329,-0.5388542249,-1.6632407359|C, 1.072847982,0.2498886406,-0.9091486322|C,0.1882704222,-0.5097670869,0. 0160938318|H,-0.5363639106,-2.4126695802,0.6541419189|H,2.4272563803,- 2.5034673487,-2.5055316006|H,2.5056595381,-0.012134737,-2.5089879709|H ,-0.4575754902,0.0924143344,0.6505912464|O,0.7883808029,-3.876733771,- 1.0231903387|O,0.9563562511,1.465554841,-1.0308475428|C,4.5415142448,- 1.3211449711,-1.0791314521|H,5.5852253015,-1.3534694221,-0.7250779559| H,4.5578254596,-1.3231445524,-2.17037473|C,3.781344908,-2.4513013288,- 0.4222436994|H,3.9312651008,-3.4982672523,-0.6628900993|C,3.3822589647 ,-1.9820409262,0.8412571893|H,2.9818189103,-2.5983214744,1.638649147|C ,3.853921052,-0.1436673008,-0.4253489168|H,4.0696325843,0.8911322598,- 0.6686444712|C,3.4262908776,-0.5835079619,0.8393613955|H,3.0654977511, 0.0588738881,1.6350770865||Version=EM64W-G09RevD.01|State=1-A|HF=-575. 5291475|RMSD=6.122e-009|RMSF=8.373e-006|ZeroPoint=0.1811545|Thermal=0. 1913732|Dipole=1.1632861,-0.0359414,0.4766175|DipoleDeriv=-0.0776358,0 .2083216,-0.0065922,0.2182144,-0.088816,-0.1547555,0.0280317,-0.199957 6,-0.0561836,0.9634182,0.1357228,-0.0364523,0.4486055,1.1712271,0.2418 433,-0.5118019,0.1125588,0.2452812,-0.4668962,-0.2996326,-0.0416583,-0 .2735108,-0.0352399,-0.0314146,0.2007213,0.0428162,0.0115098,-0.429027 8,0.3243312,-0.0403439,0.2988726,-0.0729539,0.0341902,0.1968567,-0.055 1235,0.0116457,0.9274505,-0.1205498,-0.0513448,-0.4347086,1.2061682,-0 .2417786,-0.5166228,-0.0828995,0.2462788,-0.1044368,-0.2073178,0.00373 46,-0.2170727,-0.0610166,0.1549023,0.0411799,0.1978149,-0.057199,0.015 5542,-0.037384,0.0618895,-0.0518162,0.0255591,0.0390108,0.0820712,0.01 68577,0.0411379,0.0337313,0.0071084,0.028825,-0.0086771,0.0116848,-0.0 470019,0.0742925,-0.0395675,-0.0040481,0.0337163,-0.0083741,0.0316997, 0.0075088,0.0119064,0.045054,0.0765943,0.0347998,-0.0043059,0.0212006, 0.0378343,0.0592141,0.0523179,0.0197424,-0.0427629,0.0806993,-0.021919 3,0.0413084,-0.5799431,-0.0919217,-0.0036985,-0.4360987,-1.1267143,-0. 1932552,0.1072686,-0.0971131,-0.3620715,-0.5489547,0.0556072,0.0083137 ,0.4000048,-1.1568702,0.1953352,0.1120336,0.0924511,-0.3629015,-0.0590 907,-0.0019355,0.1472807,-0.0022158,-0.1264244,-0.0042825,-0.0425588,0 .0017004,0.1496445,-0.1204023,0.0063056,-0.0379891,0.0062909,0.0814965 ,0.0011166,-0.0393324,0.0011572,0.0230986,0.0793674,-0.0008922,-0.0482 657,-0.0007619,0.0530754,0.0012972,0.0553998,-0.0019607,-0.1066306,0.2 834988,-0.0421137,-0.0248168,0.0083042,0.0863991,0.0594815,-0.0573246, 0.1619956,0.0026488,0.0169163,0.0177026,0.0067916,0.0128411,-0.0360807 ,-0.0168364,0.0019112,-0.0022908,0.067333,-0.2482275,0.2593253,-0.1113 93,0.2136851,-0.0611198,-0.0228734,0.0407666,-0.0495347,0.0057987,0.11 63873,-0.0554565,0.094011,-0.0221856,0.042107,0.0495545,0.0465767,0.03 59967,0.0156683,0.2848387,0.029587,-0.0286169,-0.0209079,0.0844899,-0. 0579841,-0.0672959,-0.1582696,0.0032142,0.0147349,-0.0209743,0.0079029 ,-0.0160524,-0.0339371,0.0166527,0.0020711,0.0024108,0.0672913,-0.2771 728,-0.246028,-0.1090525,-0.1999612,-0.0319483,0.0299475,0.0442972,0.0 470007,0.0055896,0.120973,0.0507344,0.0905613,0.0173237,0.0372651,-0.0 554407,0.0441646,-0.0389236,0.0158913|Polar=120.1282617,0.5056584,136. 293839,-2.0562366,0.0077453,96.4036523|PG=C01 [X(C11H10O2)]|NImag=1||0 .37108144,0.07911075,0.82305847,-0.24488899,-0.03722540,0.35788249,-0. 14067704,0.01714291,0.06247942,0.38876367,0.01972195,-0.09160752,-0.02 060160,0.10302455,0.89079946,0.06366340,-0.01862186,-0.13997454,-0.153 26575,0.06920572,0.35686332,-0.00970789,-0.00289493,0.01741390,-0.1392 6515,-0.02146253,0.07030672,0.29764449,0.01049207,0.01491399,-0.006104 72,-0.03789039,-0.10161161,0.00940890,0.06062638,0.63895509,0.02337245 ,0.00748969,-0.00620284,0.08150054,0.01786472,-0.12568686,-0.24226155, 0.12230321,0.43191806,-0.00096758,0.00091162,0.00181460,-0.00078100,-0 .02220649,0.00305654,-0.07824745,0.01759827,0.02395510,0.29134011,0.00 117810,-0.00160286,-0.00271839,-0.00453206,-0.02208543,0.01325285,-0.0 3281482,-0.32057009,-0.02665343,-0.03943214,0.64460609,0.00012781,-0.0 0138664,-0.00073011,-0.00738683,0.01491282,0.00575478,0.02567344,0.025 69268,-0.09951804,-0.24934028,-0.10742423,0.43255150,0.00546995,-0.007 60986,-0.00309479,0.01056935,0.00199438,-0.01840123,0.00081560,0.00306 262,-0.00831943,-0.13539145,0.04024181,0.08010188,0.37781583,-0.017359 28,-0.02820688,0.01917107,-0.00270416,0.00012099,-0.00044705,0.0207701 8,-0.02375765,-0.01433753,0.02378175,-0.10558201,-0.02300977,-0.071203 90,0.90140127,-0.00464303,0.00811147,0.00462716,-0.01832934,0.00161773 ,0.00556275,0.00216177,-0.01333771,0.00582737,0.06950350,-0.01386291,- 0.12558067,-0.15710163,-0.06101416,0.35722568,-0.08936302,-0.00590677, 0.04044504,0.00690201,0.01513156,-0.00518574,-0.00110131,-0.00120849,0 .00021855,-0.01008397,-0.00885236,0.02288127,-0.14278643,-0.01631139,0 .06475304,0.36290235,-0.02083495,-0.51586163,0.00398396,0.00538655,-0. 02971504,-0.00770642,-0.00093788,-0.00145768,0.00137787,0.00452016,0.0 1528117,-0.00900329,-0.01373871,-0.08939960,0.01443895,-0.05082475,0.8 3148756,0.04017363,-0.00529481,-0.08381243,-0.00431016,-0.01884222,0.0 0470329,0.00198533,0.00260120,-0.00074066,0.01774857,0.00493819,-0.006 19268,0.06369010,0.01649116,-0.14007286,-0.24192259,0.05120245,0.35762 902,-0.16173838,-0.09183400,0.11503734,-0.00905300,-0.01252533,0.01082 913,-0.00010411,0.00289089,0.00272028,0.00012431,0.00038920,-0.0013338 1,0.00742075,0.00128633,0.00577299,0.00628557,0.00226338,0.00218529,0. 16116319,-0.09151764,-0.12892902,0.08410293,0.01197933,0.01042815,-0.0 1117679,0.00138188,-0.00238818,-0.00210528,-0.00027488,-0.00016849,0.0 0033960,0.00293189,-0.00230855,-0.00436807,-0.02189323,-0.01215456,0.0 2044130,0.09867077,0.13424223,0.11332099,0.08253040,-0.14805658,0.0134 3772,0.01391980,-0.00681010,0.00189357,-0.00330766,-0.00134665,-0.0010 0246,-0.00027382,-0.00065617,0.00756409,-0.00103068,0.00660557,0.00077 073,-0.00067778,0.00783425,-0.12728528,-0.09083806,0.14546231,-0.00248 147,-0.00404680,0.00281332,-0.00823079,0.01311903,0.01979290,-0.072422 06,0.04260167,0.09450727,0.00436908,0.00468479,0.00090488,0.00358495,0 .00038922,0.00204452,0.00026986,-0.00063496,-0.00087172,-0.00077753,0. 00074262,0.00092483,0.08497098,-0.00241027,-0.00129336,0.00068115,-0.0 0475577,0.00943799,0.01294501,0.04897971,-0.12521720,-0.11556289,0.013 58985,-0.01338683,-0.02467837,-0.00575269,-0.00285761,0.00134945,0.000 22534,0.00008494,0.00027857,-0.00054839,0.00058827,0.00036179,-0.05458 027,0.13233734,0.00236837,0.00221664,0.00025726,0.00384051,-0.01310599 ,-0.01076235,0.10081322,-0.12046146,-0.22071832,-0.00055500,0.00613931 ,0.00689359,0.00328420,0.00215757,0.00204736,-0.00055024,-0.00017721,- 0.00019212,0.00067398,-0.00050535,-0.00022543,-0.10012307,0.12287560,0 .22946538,0.00029490,0.00061910,-0.00088950,0.00389695,-0.00080957,0.0 0195759,0.00315025,-0.00572274,0.00247378,-0.07834615,-0.04524892,0.10 168501,-0.00868443,-0.01192352,0.01897667,-0.00207203,0.00410365,0.002 75308,-0.00007055,-0.00012547,-0.00013028,-0.00207437,0.00058244,-0.00 214643,0.09197757,-0.00023988,0.00005980,-0.00022387,0.00533478,-0.003 17940,-0.00146218,-0.01463139,-0.01211881,0.02462848,-0.05161261,-0.11 863732,0.10911462,0.00590959,0.00988875,-0.01422259,0.00246565,-0.0017 1190,-0.00085098,-0.00019034,0.00009846,0.00001950,-0.00038228,0.00119 928,-0.00062807,0.05680232,0.12465028,-0.00053730,0.00021043,-0.000192 19,0.00312698,-0.00234520,0.00205734,-0.00090087,-0.00603971,0.0068428 1,0.10830985,0.11360897,-0.22137498,0.00463976,0.01278109,-0.01076192, 0.00221785,-0.00235542,0.00026612,-0.00020149,0.00014794,-0.00021654,- 0.00210107,0.00075702,-0.00043452,-0.10778717,-0.11605352,0.23014826,0 .00744421,-0.00349444,0.00090587,0.00711909,-0.00186267,0.00604113,0.0 0011563,-0.00041097,-0.00135142,-0.00038057,-0.00300899,0.00285566,-0. 00894057,0.01377564,0.01147120,-0.15009049,0.09347089,0.10926198,-0.00 284312,0.00047639,-0.00404607,-0.00005011,0.00019909,-0.00021093,-0.00 078427,0.00063668,0.00070261,0.14865948,0.02065974,-0.01336907,-0.0204 8005,-0.00350368,-0.00199254,0.00402126,0.00025415,-0.00015993,-0.0002 5659,-0.00150214,-0.00209659,0.00193244,-0.01072301,0.01030478,0.01042 650,0.09314913,-0.14106984,-0.09119339,-0.00024670,0.00098759,0.000215 78,0.00013442,0.00007760,-0.00013584,-0.00065365,0.00059513,0.00045968 ,-0.09991496,0.14728426,0.00075376,0.00068876,0.00789004,0.00762389,0. 00057785,0.00659117,-0.00098404,0.00033493,-0.00065594,0.00210156,0.00 318428,-0.00136154,0.01256661,-0.01478671,-0.00679906,0.10764795,-0.08 951618,-0.14756386,-0.00405102,0.00002714,-0.00314418,-0.00013169,-0.0 0001213,-0.00021607,0.00090224,-0.00042160,-0.00022564,-0.12104353,0.0 9866097,0.14492415,0.02133985,0.02137601,0.00523788,-0.09780172,-0.091 79092,0.00938016,0.00058029,-0.04359691,-0.00045406,-0.00145065,-0.000 25461,0.00615503,-0.00570466,0.00036838,0.00569196,-0.00058188,0.00350 082,0.00264047,0.00137671,-0.00112899,-0.00323355,0.00116363,0.0011363 9,-0.00225940,-0.00072392,-0.00243007,-0.00102567,-0.00147246,0.001051 47,-0.00200696,0.08041495,0.00779533,-0.06524908,-0.02591334,-0.094248 85,-0.66189265,-0.06263581,-0.03571282,-0.05092693,0.00759806,-0.00219 808,0.00651973,0.00617365,-0.00114811,0.00035011,-0.00089108,0.0071731 1,0.00725586,-0.00528086,0.00077819,0.00166033,-0.00051462,0.00155193, 0.00077723,0.00221455,-0.00031312,-0.00184456,-0.00005027,0.00079547,- 0.00237193,0.00068982,0.11545405,0.76874259,0.00112512,-0.03862849,0.0 1129990,0.01112478,-0.06138166,-0.08942961,0.00343977,0.02311416,0.016 11489,0.00190093,-0.00031060,0.00006284,0.00467016,0.00031914,-0.00312 631,0.00432362,-0.00204495,-0.00255294,-0.00321715,0.00209725,0.001295 98,-0.00349231,-0.00123363,0.00209299,-0.00033835,0.00064876,-0.000312 87,-0.00119894,-0.00175953,-0.00086269,-0.01924081,0.07810455,0.062060 24,-0.00121975,-0.00295896,0.00297507,-0.00563098,0.00002441,0.0057371 9,-0.00126656,0.00076112,0.00575250,0.00535066,0.04005389,-0.00104398, -0.08836711,0.05574930,0.01313326,0.01917066,-0.02666534,0.00693115,-0 .00159217,-0.00110610,-0.00204317,-0.00055609,0.00234631,-0.00102693,0 .00099325,-0.00115679,-0.00239097,0.00139936,0.00113595,-0.00319791,0. 00235580,-0.00005426,-0.00162728,0.06865466,-0.00662620,0.00791376,0.0 0507533,0.00153789,0.00027662,0.00052290,0.00269426,0.00631639,-0.0065 6526,0.03217456,-0.05578183,-0.00734738,0.05821617,-0.67098897,0.06360 424,-0.01309598,-0.06289436,0.02574788,-0.00084812,-0.00224888,-0.0005 5881,0.00023026,-0.00201348,0.00011885,-0.00157540,0.00094575,-0.00206 464,-0.00077118,0.00163376,0.00071605,-0.00009991,-0.00002346,-0.00017 387,-0.07148217,0.78006855,0.00446296,0.00173947,-0.00257329,0.0046364 5,-0.00062185,-0.00312707,0.00190833,0.00017278,0.00008218,0.00189012, -0.02307756,0.01620169,0.01478782,0.06224434,-0.08978952,0.00358599,0. 03869750,0.01111432,-0.00108337,0.00183560,-0.00086586,-0.00037924,-0. 00062111,-0.00031153,-0.00340325,0.00145367,0.00209571,-0.00334039,-0. 00189225,0.00129986,-0.00161286,0.00027933,0.00124108,-0.02390147,-0.0 7881869,0.06251165,-0.00136112,0.00163461,0.00055546,0.00052153,0.0019 8131,-0.00075909,-0.02796756,0.00978824,-0.00750709,-0.02811210,-0.008 10705,-0.00743246,0.00035454,-0.00195701,-0.00068350,-0.00147003,-0.00 153988,0.00055322,0.00014334,0.00002527,0.00014501,0.00134164,-0.00046 981,0.00182034,0.00135750,0.00038761,0.00181531,0.00014574,-0.00003114 ,0.00014433,-0.00022912,-0.00031920,-0.00034928,-0.00020750,0.00031162 ,-0.00036680,0.51946556,0.00018949,0.00001136,0.00008980,0.00070289,0. 00078911,-0.00110209,-0.00590780,-0.00112630,-0.00058416,0.00758082,-0 .00099281,0.00105311,-0.00067173,0.00095822,0.00114170,-0.00009659,0.0 0011801,-0.00012399,-0.00006897,0.00004614,0.00000830,0.00014068,-0.00 003125,0.00000038,-0.00022945,-0.00004433,-0.00011469,0.00006264,0.000 04393,-0.00001762,-0.00002497,-0.00031920,0.00027618,0.00001598,-0.000 33958,-0.00025295,-0.00373278,0.40098069,0.00005091,0.00057177,0.00024 226,0.00114256,0.00002670,-0.00094448,-0.00956780,0.00256999,-0.001382 47,-0.00973109,-0.00196302,-0.00137881,0.00114032,-0.00010406,-0.00094 767,0.00001540,-0.00057338,0.00024430,-0.00002662,-0.00006892,-0.00005 318,-0.00054466,-0.00084842,-0.00004505,-0.00048986,0.00088087,-0.0000 4742,-0.00002239,0.00007019,-0.00005332,-0.00079684,-0.00036549,-0.000 16310,-0.00077188,0.00041551,-0.00016348,-0.01284171,0.00074140,0.6519 9604,-0.00014984,0.00018223,0.00015307,0.00026766,0.00049355,-0.000608 17,-0.00243741,0.00189051,0.00006841,-0.00235724,-0.00182771,0.0000355 9,0.00019269,-0.00047985,-0.00053874,-0.00015870,-0.00016157,0.0001446 4,-0.00000348,-0.00000085,0.00004600,0.00040208,-0.00010345,0.00022591 ,0.00038963,0.00007775,0.00020392,-0.00000386,0.00000311,0.00004256,-0 .00019613,-0.00026133,0.00010406,-0.00015474,0.00024598,0.00009516,-0. 26747838,0.00720060,-0.07837101,0.29518057,-0.00002021,0.00016264,0.00 013735,0.00071231,0.00043734,-0.00106471,-0.00311213,-0.00136553,0.000 59994,0.00317517,-0.00144510,-0.00059822,-0.00069708,0.00051473,0.0010 9826,0.00004122,0.00017216,-0.00014679,0.00000904,0.00003014,0.0000530 8,0.00027535,-0.00002724,0.00033944,-0.00030140,-0.00001616,-0.0003517 0,-0.00000699,0.00003035,-0.00005588,-0.00041124,-0.00040421,0.0001265 3,0.00039525,-0.00044545,-0.00013138,0.00720601,-0.03522701,0.00241299 ,-0.00778474,0.04411774,0.00021341,-0.00034738,0.00016032,-0.00011125, 0.00036093,-0.00049049,-0.00023757,-0.00082214,0.00030738,-0.00019361, 0.00084025,0.00030658,-0.00013185,-0.00035584,-0.00049226,0.00023471,0 .00033329,0.00015975,-0.00003071,0.00001180,0.00003552,0.00011510,0.00 015046,0.00044105,0.00010623,-0.00015611,0.00044244,-0.00003137,-0.000 00983,0.00003570,-0.00003763,-0.00017350,0.00010429,-0.00002776,0.0001 7692,0.00010410,-0.07416866,0.00228187,-0.07253686,0.08428045,-0.00260 170,0.07883137,0.00013248,-0.00003245,-0.00002212,-0.00025596,-0.00026 458,-0.00013646,-0.00079107,-0.00057514,0.00125351,-0.00071610,0.00062 190,0.00115653,-0.00024616,0.00027538,-0.00010797,0.00013085,0.0000305 2,-0.00002730,0.00003268,-0.00000485,-0.00001601,-0.00059604,-0.000549 39,-0.00011008,-0.00054217,0.00057162,-0.00009956,0.00003018,0.0000024 2,-0.00001750,0.00007867,0.00019355,-0.00003509,0.00006769,-0.00020328 ,-0.00003635,-0.04488843,-0.00020368,-0.00261510,0.00084811,-0.0000599 8,-0.03030776,0.05361601,0.00005621,0.00010102,0.00008171,0.00011859,- 0.00006805,-0.00046182,-0.00057561,-0.00002730,0.00148379,0.00061443,- 0.00010712,-0.00156019,-0.00010813,-0.00007763,0.00046936,-0.00005838, 0.00010266,-0.00007987,0.00004202,-0.00000769,0.00002414,-0.00028425,- 0.00018559,-0.00018801,0.00030709,-0.00023929,0.00019760,-0.00004445,- 0.00000533,-0.00002293,-0.00002852,-0.00008548,0.00003061,0.00001899,- 0.00007461,-0.00002803,-0.00019656,-0.05125290,-0.00028711,-0.00001984 ,0.00024848,0.00093959,-0.00012584,0.04960091,-0.00008600,-0.00012812, 0.00019000,-0.00030867,0.00037093,-0.00012286,-0.00143045,0.00004461,- 0.00009001,-0.00143249,0.00004543,-0.00008601,-0.00033102,-0.00035103, -0.00012311,-0.00007762,0.00013354,0.00018987,-0.00001553,0.00002379,0 .00005009,0.00013416,0.00012429,0.00082802,0.00012540,-0.00012947,0.00 082791,-0.00001687,-0.00002262,0.00005023,0.00004037,0.00002683,0.0000 4925,0.00003852,-0.00002894,0.00004938,0.00272114,-0.00045444,-0.32265 651,-0.00071883,0.00000950,-0.00938281,0.00018840,0.00040002,0.3483974 0,0.00134762,-0.00158874,0.00103292,-0.02040899,-0.01045982,-0.0012272 0,0.03552592,-0.02704745,0.02337222,0.00413738,0.03238218,0.00762171,0 .00203790,-0.00110493,-0.00556932,0.00059118,-0.00019905,-0.00042915,0 .00024541,-0.00017847,-0.00020054,-0.00553511,0.00129452,-0.00384462,- 0.00196517,-0.00075557,-0.00097392,-0.00032921,-0.00012294,-0.00017243 ,0.00161931,0.00708663,0.00054001,-0.00085834,0.00169964,0.00117059,-0 .07804968,-0.04820778,0.03427612,-0.01465229,-0.02529569,0.00894148,-0 .00315463,0.00224311,-0.00131087,0.21217732,-0.00062020,0.00059235,0.0 0002736,-0.00070605,-0.00031910,-0.00093972,-0.00707167,-0.00997675,-0 .00623184,0.00263838,-0.00684204,0.00250985,-0.00043154,-0.00237824,0. 00072119,-0.00048133,-0.00035209,-0.00032476,0.00016984,0.00001151,0.0 0005744,-0.00218787,0.00069572,-0.00151754,0.00097003,-0.00068993,-0.0 0004811,0.00005660,-0.00001826,0.00009050,-0.00178091,-0.00107197,-0.0 0008480,0.00051678,0.00026554,-0.00036070,-0.04088586,-0.14790028,0.03 298278,-0.00020309,-0.00077811,-0.00108482,0.00217661,0.00444260,-0.00 189533,-0.00981229,0.71739384,0.00102594,-0.00157193,-0.00000504,-0.01 063546,-0.00787037,0.00272781,0.05659630,-0.04363861,0.02086064,0.0166 3547,0.04560576,0.01104493,0.00252662,-0.00345264,-0.00706235,0.000414 67,0.00044417,-0.00183997,0.00005439,-0.00022218,-0.00021505,-0.013447 75,0.00267677,-0.00992209,-0.00510142,-0.00061207,-0.00218514,-0.00024 556,-0.00010756,0.00002170,0.00198999,0.00402146,0.00101352,-0.0012409 9,0.00419744,0.00170699,0.04660302,0.04180277,-0.09359510,-0.00196426, -0.00414637,0.00202259,0.01457490,0.02434335,-0.00725153,-0.19594893,0 .12356061,0.44169689,0.00002788,0.00012889,-0.00003637,0.00175764,0.00 417656,-0.00070916,-0.00609963,0.00668282,-0.00040023,-0.00146943,-0.0 0162731,-0.00105870,0.00009757,-0.00003317,0.00006940,0.00012472,0.000 05321,0.00008130,-0.00004500,0.00000550,0.00002019,0.00085890,0.000119 51,0.00022002,0.00004347,0.00016075,-0.00000127,-0.00001232,-0.0000103 8,-0.00000666,0.00113656,-0.00256640,0.00014546,0.00004521,0.00023379, 0.00009122,0.00490802,-0.01540612,-0.00701613,0.00031554,0.00096222,-0 .00048700,-0.00005013,0.00010631,0.00023108,-0.04337694,0.04024499,0.0 2600468,0.03931360,0.00002260,-0.00003632,0.00007872,0.00012984,-0.000 31570,0.00002405,0.00013186,-0.00037918,-0.00057670,-0.00033327,-0.000 30101,-0.00003483,-0.00007194,0.00006608,0.00016071,-0.00000448,0.0000 5786,0.00000273,-0.00001576,0.00001191,0.00001256,0.00011086,0.0002168 7,0.00052354,-0.00001992,-0.00000682,-0.00005886,-0.00001153,0.0000089 3,-0.00001602,-0.00007363,0.00037694,-0.00000259,0.00002779,0.00002266 ,-0.00002913,0.00661244,-0.00850978,-0.00557688,-0.00039923,-0.0001367 8,-0.00008791,-0.00000615,0.00019336,0.00037434,0.03537346,-0.33162891 ,-0.06722720,-0.04017817,0.34495799,0.00010153,0.00004969,-0.00002020, 0.00072860,0.00102016,-0.00019812,-0.00274313,0.00427311,0.00002188,-0 .00059817,-0.00044741,-0.00036624,-0.00017170,0.00013004,0.00011420,0. 00011049,0.00008096,0.00004887,0.00000352,-0.00001074,-0.00000434,0.00 022358,0.00031765,0.00003672,0.00010225,0.00011862,0.00009024,-0.00002 589,0.00000548,-0.00002551,0.00037284,-0.00063371,-0.00026653,0.000041 27,0.00011848,0.00004848,-0.00642130,0.01091975,0.00423877,0.00032709, -0.00005190,0.00036086,-0.00058180,-0.00070790,0.00014009,0.02094631,- 0.06026269,-0.06281456,-0.01873552,0.07044567,0.06269487,0.00008807,-0 .00016268,-0.00005005,-0.00168908,-0.00063102,-0.00266058,0.00015239,- 0.00201870,-0.00523810,-0.00015590,0.00560515,-0.00156043,0.00178843,- 0.00190160,-0.00187718,0.00002575,0.00077917,-0.00158688,0.00000353,-0 .00014239,0.00003287,-0.00129014,-0.00000002,-0.00083806,-0.00102648,- 0.00002687,-0.00061913,-0.00015852,-0.00001140,-0.00002529,-0.00003978 ,-0.00028411,0.00042061,-0.00080728,0.00216490,0.00024909,-0.01047660, -0.00413593,0.02681170,0.00094008,-0.00055407,0.00241946,-0.00000463,- 0.00345636,0.00099010,-0.08577783,0.02069278,0.07806153,0.00131241,-0. 00037224,0.00259061,0.23392167,-0.00005313,0.00006973,0.00001085,0.002 35558,0.00205922,-0.00033113,-0.02670996,0.02853266,-0.02182871,-0.021 71374,-0.03182575,-0.01376137,0.00038986,0.00099065,0.00314504,-0.0000 7555,-0.00058682,0.00062645,-0.00009071,0.00010234,0.00006408,0.003289 17,-0.00048704,0.00197509,0.00446486,0.00051872,0.00212979,0.00014839, -0.00000100,0.00001377,0.00000700,0.00053582,-0.00042282,0.00064052,-0 .00268744,-0.00100429,-0.00495090,0.00402125,0.01441904,-0.00204701,-0 .00150754,-0.00255842,-0.00363472,-0.00430234,-0.00006691,0.03798458,- 0.12630235,-0.03233003,0.00411864,-0.00165643,-0.02908857,0.07122396,0 .66227109,-0.00060533,-0.00010058,-0.00049145,-0.00074000,0.00088000,0 .00101224,-0.02494866,0.02776000,-0.02457756,-0.01305607,-0.02029947,- 0.01223124,0.00233473,-0.00026762,0.00005218,-0.00037762,-0.00029552,0 .00096952,0.00022584,0.00001434,0.00002301,0.00284999,-0.00057920,0.00 191912,0.00147146,-0.00030993,0.00075164,0.00010990,-0.00011222,0.0002 6478,0.00086316,0.00069811,-0.00076307,-0.00024276,-0.00142101,0.00000 774,0.00835563,0.00853774,-0.03364353,-0.00137517,0.00046673,-0.001066 44,0.00156316,0.00220184,-0.00192564,0.10653566,-0.07413465,-0.2685904 9,-0.00301590,0.00245592,0.00100957,-0.20645023,-0.09442293,0.64436751 ,-0.00026215,0.00015128,-0.00023495,0.00005744,0.00017872,-0.00037526, -0.00060983,0.00021982,0.00004652,0.00068971,-0.00080760,0.00045843,-0 .00015773,0.00051157,0.00020733,-0.00003171,-0.00001272,0.00028882,-0. 00009078,-0.00000828,-0.00000288,0.00009449,-0.00002470,0.00008111,0.0 0020306,0.00007412,0.00005500,0.00002736,0.00000470,0.00001431,0.00001 997,-0.00007798,0.00014450,0.00005050,-0.00047759,-0.00005265,0.004591 32,-0.00033006,0.00400237,0.00036700,0.00087593,-0.00078174,-0.0003519 1,-0.00100794,0.00061893,-0.00009961,-0.00517776,0.00405655,-0.0021914 6,0.00014263,-0.00163173,-0.07881376,-0.06521485,0.08782137,0.07162102 ,-0.00004174,0.00018628,-0.00017965,-0.00028351,0.00011627,0.00044891, -0.00008374,0.00047634,-0.00009961,-0.00026701,-0.00026827,-0.00043965 ,-0.00041344,-0.00018478,0.00029758,-0.00003773,-0.00003977,-0.0002070 1,0.00008117,0.00002550,0.00001251,0.00010604,0.00000087,0.00003926,0. 00001364,-0.00003251,-0.00004519,0.00004669,-0.00002185,0.00000278,0.0 0011637,-0.00004128,-0.00008725,0.00017390,0.00010040,-0.00010307,0.00 019923,-0.00106948,-0.00323339,-0.00006868,-0.00011991,0.00008940,0.00 036668,0.00085068,-0.00030615,0.00628350,0.01141596,-0.00885195,-0.000 02618,0.00021654,0.00097287,-0.06337460,-0.15351204,0.11898423,0.06836 110,0.15387980,-0.00010695,-0.00004299,0.00007517,0.00036040,0.0010077 0,-0.00075634,-0.00059868,-0.00010354,0.00012749,0.00008826,-0.0004452 8,0.00033315,0.00019658,0.00025881,-0.00007449,-0.00002272,0.00002381, 0.00025455,-0.00010643,0.00001484,0.00002059,0.00007951,0.00001135,0.0 0008386,0.00015748,0.00000338,0.00010285,-0.00000506,-0.00001371,0.000 00618,-0.00000430,-0.00076522,0.00036795,-0.00009497,-0.00020042,0.000 00718,0.00159917,-0.00204924,-0.00319441,0.00032592,0.00035067,-0.0003 2059,0.00076442,0.00074911,-0.00008289,0.00974195,0.01777710,-0.010053 92,-0.00129969,-0.00043200,0.00015410,0.08398656,0.11910479,-0.2132944 9,-0.09484296,-0.13123810,0.21926293,0.00062995,0.00013639,-0.00040837 ,0.00211788,0.00080809,-0.00560757,0.00189368,-0.03291901,0.00753831,0 .03749654,0.02412799,0.02365687,-0.01963075,0.01167242,-0.00119851,0.0 0148330,0.00153572,0.00102481,-0.00032385,0.00014172,-0.00017813,-0.00 197386,0.00083404,-0.00097166,-0.00545425,-0.00091728,-0.00373726,0.00 024498,0.00016322,-0.00020430,-0.00099299,-0.00161811,0.00119572,0.001 27738,-0.00723266,0.00056526,-0.07272428,0.04354599,0.03200952,-0.0129 9873,0.02608860,0.00892263,-0.00340087,-0.00175421,-0.00118488,-0.0071 3014,-0.00670551,-0.02025816,-0.00363144,-0.00179035,0.00170516,0.0020 5357,0.00235947,0.01331701,0.00467879,-0.00074725,0.00270487,0.2154023 6,0.00042088,-0.00039148,0.00034697,0.00015524,-0.00244964,-0.00038151 ,-0.00315167,-0.00473626,-0.00294221,0.00424409,-0.01182092,0.00484125 ,0.00189572,-0.00107258,0.00102708,0.00056710,0.00046096,-0.00009394,- 0.00003795,-0.00002356,-0.00007931,-0.00090305,-0.00067879,0.00010521, 0.00253956,0.00061532,0.00172729,-0.00018434,0.00001238,-0.00004540,-0 .00044149,0.00038976,0.00028978,0.00163694,-0.00073919,0.00005500,0.03 625842,-0.15341258,-0.03490473,0.00096803,-0.00241854,0.00053150,-0.00 164798,0.00462709,0.00194204,0.00317977,-0.06224226,-0.00021788,-0.000 18717,-0.00248686,0.00418214,-0.01188445,-0.03475880,0.02895217,0.0005 0389,-0.00622546,-0.00161617,0.04097349,0.71352801,0.00038463,-0.00047 355,-0.00183958,0.00273912,0.00327554,-0.00707167,0.01374049,-0.046520 87,0.01117745,0.05922844,0.04008912,0.02073494,-0.01012614,0.00853510, 0.00270081,0.00112153,0.00150352,-0.00000917,-0.00023820,0.00012293,0. 00002166,-0.00505034,0.00092775,-0.00218803,-0.01359790,-0.00185547,-0 .00991974,0.00006869,0.00021770,-0.00021559,-0.00150096,-0.00410777,0. 00171803,0.00172878,-0.00413409,0.00102528,0.04378493,-0.04448845,-0.0 9337669,-0.00170137,0.00427013,0.00200807,0.01301925,-0.02524129,-0.00 718868,-0.02021497,0.00155826,-0.03750128,0.00408787,0.00149929,-0.001 50969,-0.00135516,0.07515100,0.02007462,0.00240364,-0.00024810,0.00108 833,-0.20345020,-0.11171640,0.44235808,0.00012157,-0.00005702,0.000081 03,0.00010420,0.00003118,0.00005878,-0.00134151,0.00168907,-0.00105868 ,-0.00650138,-0.00629709,-0.00034294,0.00147910,-0.00428989,-0.0006974 4,0.00001821,-0.00013243,-0.00004077,-0.00001089,0.00001158,-0.0000056 8,0.00003429,-0.00016343,0.00000288,0.00084202,-0.00015773,0.00018684, -0.00004415,-0.00000191,0.00001938,0.00002871,-0.00023426,0.00009359,0 .00129833,0.00250813,0.00013835,0.00540645,0.01451228,-0.00668843,0.00 027906,-0.00098981,-0.00047787,-0.00005535,-0.00008991,0.00020728,-0.0 0350288,0.00026195,0.00398640,0.00207404,0.00023472,0.00039750,0.00405 127,-0.00332776,0.00166259,0.00054414,-0.00040712,-0.00014607,-0.04929 456,-0.05802551,0.03034448,0.04559324,0.00000073,0.00006099,-0.0000078 6,0.00006936,0.00005887,-0.00016476,0.00039750,-0.00042793,0.00010191, 0.00024886,0.00001879,0.00060113,-0.00024162,-0.00003955,0.00002023,-0 .00002576,-0.00002682,-0.00007623,0.00001271,0.00000751,0.00001633,0.0 0001753,0.00000211,0.00005903,-0.00015025,0.00023125,-0.00053693,0.000 01929,0.00001103,-0.00001385,-0.00002819,0.00003888,0.00002335,0.00001 621,0.00021574,-0.00000795,-0.00750999,-0.00902446,0.00604211,0.000373 83,-0.00009866,0.00011971,0.00002046,0.00019935,-0.00038838,0.00185772 ,-0.00263165,-0.00175158,-0.00039177,-0.00043526,0.00076930,-0.0009730 5,0.00007056,0.00064001,0.00018547,-0.00003276,0.00000055,-0.05315820, -0.32538271,0.06612494,0.05904343,0.33831324,0.00010529,-0.00008780,0. 00004902,-0.00017964,-0.00011865,0.00011470,-0.00056958,0.00048287,-0. 00036742,-0.00300401,-0.00409089,0.00003354,0.00066362,-0.00106437,-0. 00019525,0.00009825,-0.00005581,-0.00001982,-0.00002622,-0.00000394,-0 .00002553,0.00009438,-0.00012459,0.00009037,0.00020416,-0.00033078,0.0 0003910,0.00000413,0.00001045,-0.00000434,0.00003381,-0.00012110,0.000 04883,0.00041160,0.00060784,-0.00026792,-0.00707715,-0.01045938,0.0042 5004,0.00032869,0.00003293,0.00036056,-0.00053606,0.00074274,0.0001390 5,0.00143280,-0.00427837,-0.00149384,0.00034986,-0.00078794,0.00138396 ,0.00374143,0.00041944,-0.00540235,-0.00034992,0.00155834,0.00025635,0 .02483837,0.05948754,-0.06313382,-0.02329449,-0.06982939,0.06305219,-0 .00002114,-0.00081994,-0.00162103,0.00188037,0.00184015,-0.00207704,0. 00072898,-0.00765740,-0.00067232,0.00206669,0.00367596,-0.00386836,-0. 00178183,0.00086504,-0.00263691,0.00010247,0.00016145,-0.00005112,-0.0 0016653,0.00002174,-0.00002608,-0.00129879,0.00013935,-0.00075206,-0.0 0149376,0.00006057,-0.00096080,0.00001852,0.00014774,0.00002842,-0.000 99087,-0.00227102,0.00031831,-0.00002022,0.00032047,0.00044562,-0.0098 4820,0.00507856,0.02583744,0.00109389,0.00039776,0.00257461,0.00042354 ,0.00316073,0.00098375,0.00250811,0.00951858,-0.00610352,0.00430488,0. 00071411,0.00370466,-0.06652181,0.00361204,0.02597825,0.00193994,-0.01 046609,-0.00171543,-0.08960193,-0.02279477,0.07999758,0.00106566,0.000 21029,0.00442076,0.22663208,0.00003858,-0.00054078,-0.00052158,-0.0004 3799,0.00089281,-0.00302406,0.01962803,-0.03261745,0.01388485,0.028311 41,0.02660742,0.02197718,-0.00211782,0.00215292,0.00049375,0.00004970, 0.00005688,-0.00000882,-0.00013765,0.00000726,-0.00001136,-0.00434645, 0.00078617,-0.00208701,-0.00321789,-0.00028786,-0.00191151,0.00009657, 0.00008707,-0.00006620,-0.00074790,-0.00249852,0.00099390,0.00003026,0 .00051437,0.00039223,0.00584549,0.00332318,-0.01617740,0.00187962,-0.0 0165488,0.00240267,0.00334072,-0.00473703,0.00001183,-0.00468112,-0.03 549181,-0.07476741,0.00306363,-0.00018780,-0.00066859,-0.02043057,-0.3 3444892,0.02336287,0.00220582,-0.00655558,-0.00296958,-0.04001253,-0.1 2220730,0.02698825,-0.00429277,-0.00134216,0.02887947,-0.04428087,0.67 009525,-0.00035841,0.00032278,0.00097054,0.00234731,0.00011730,0.00006 005,-0.01180629,0.02113784,-0.01232426,-0.02672895,-0.02627746,-0.0245 6816,-0.00078423,-0.00083674,0.00101452,-0.00059837,0.00013654,-0.0004 9195,0.00011714,0.00010580,0.00026451,0.00150046,0.00021639,0.00075706 ,0.00288999,0.00040486,0.00192262,0.00022420,-0.00002872,0.00002329,-0 .00015085,0.00144072,0.00000107,0.00081676,-0.00075307,-0.00076226,0.0 0778437,-0.00914517,-0.03358089,-0.00140703,-0.00037782,-0.00107181,0. 00141227,-0.00228845,-0.00191967,0.01147997,-0.02958451,0.02035235,0.0 0161231,-0.00075701,-0.00539819,0.02450859,-0.02435183,-0.11450570,-0. 00083196,0.02314265,0.00598574,0.11110073,0.06692382,-0.26892175,-0.00 315653,-0.00225480,0.00093718,-0.19995872,0.10712076,0.64389926,-0.000 02853,0.00001280,0.00030123,-0.00016408,-0.00051251,0.00018971,0.00075 430,0.00074371,0.00048343,-0.00061352,-0.00015029,0.00005369,0.0000644 6,-0.00017652,-0.00040208,-0.00026736,-0.00012329,-0.00022272,0.000023 92,-0.00000755,0.00001412,0.00019647,-0.00008837,0.00005793,0.00008893 ,0.00001936,0.00007836,-0.00009490,0.00001586,-0.00000371,0.00006970,0 .00047939,-0.00004745,0.00001724,0.00007482,0.00014943,0.00457736,-0.0 0001407,0.00419717,0.00031449,-0.00090554,-0.00078329,-0.00030675,0.00 108253,0.00063411,0.00465066,-0.00118246,0.00241559,0.00055590,-0.0002 2365,-0.00044619,0.00242462,-0.00277575,-0.00227699,-0.00227581,0.0004 6877,-0.00106185,-0.00012078,0.00591527,0.00458579,-0.00218956,0.00000 543,-0.00169009,-0.07102006,0.06021374,0.07998721,0.06334330,0.0000370 7,-0.00004240,0.00018927,0.00041264,-0.00018014,-0.00030969,0.00020301 ,-0.00032968,0.00041168,0.00015097,0.00048128,0.00009562,0.00028754,0. 00010554,-0.00042673,0.00007000,0.00019206,0.00019374,-0.00004961,-0.0 0001842,-0.00000361,-0.00002765,-0.00002599,0.00004201,-0.00011139,0.0 0000618,-0.00004407,-0.00007384,0.00002954,-0.00001231,-0.00017222,0.0 0008199,0.00010597,-0.00011998,-0.00003630,0.00007905,-0.00055010,-0.0 0104194,0.00296946,0.00004214,-0.00006844,-0.00004074,-0.00029183,0.00 080421,0.00026425,0.00006873,-0.00619377,0.00011543,0.00036984,-0.0000 4828,-0.00153239,0.00989410,-0.00709557,-0.02301083,-0.00027555,0.0008 3505,0.00057416,-0.00553204,0.01141343,0.00852248,0.00017429,0.0002136 4,-0.00086860,0.05836554,-0.16195325,-0.12441390,-0.06287167,0.1628712 5,-0.00002420,-0.00002153,0.00025409,0.00017882,-0.00027035,-0.0000729 3,0.00011577,0.00044016,0.00033089,-0.00059080,0.00014032,0.00012712,0 .00029551,-0.00103012,-0.00075214,-0.00010419,0.00004941,0.00007459,-0 .00000407,0.00001406,0.00000614,0.00015694,-0.00001289,0.00010274,0.00 007883,-0.00001612,0.00008393,-0.00010696,-0.00000814,0.00002064,-0.00 008178,0.00020566,0.00000629,0.00004395,0.00076474,0.00036533,0.001725 15,0.00193919,-0.00320845,0.00030310,-0.00037108,-0.00031933,0.0007167 1,-0.00079827,-0.00008157,0.00280019,0.00146276,0.00108294,-0.00014678 ,0.00000953,0.00026076,-0.00155148,0.00310767,0.00604004,-0.00109483,- 0.00050941,-0.00034928,0.00861975,-0.01841423,-0.01003158,-0.00127021, 0.00051313,0.00015541,0.07615399,-0.12429424,-0.21264353,-0.08621341,0 .13709976,0.21854790||0.00000274,-0.00000882,-0.00000169,0.00001789,-0 .00000007,0.00001209,-0.00002067,0.00001529,-0.00001423,-0.00000323,-0 .00001588,-0.00000413,0.00001345,-0.00000107,0.00000466,0.00000299,0.0 0000852,0.00000053,-0.00000031,-0.00000033,-0.00000193,0.00000973,-0.0 0000215,0.00000270,0.00000296,0.00000050,0.00000092,-0.00000008,0.0000 0019,-0.00000153,-0.00000367,-0.00000536,-0.00000292,-0.00000333,0.000 00452,-0.00000351,-0.00000280,0.00000096,-0.00000725,0.00000142,0.0000 0124,-0.00000206,-0.00000087,-0.00000103,0.00000090,0.00002506,-0.0000 0845,-0.00000683,-0.00001088,0.00000015,-0.00000380,-0.00002189,0.0000 1630,0.00001722,-0.00000137,0.00000016,0.00000150,-0.00000050,0.000001 50,0.00001876,0.00000144,0.00000012,0.00000310,-0.00000673,-0.00000574 ,-0.00001385,-0.00000133,-0.00000056,0.00000134|||@ DESK: A WASTEBASKET WITH DRAWERS. Job cpu time: 0 days 0 hours 18 minutes 24.0 seconds. File lengths (MBytes): RWF= 132 Int= 0 D2E= 0 Chk= 5 Scr= 1 Normal termination of Gaussian 09 at Mon Oct 31 15:43:56 2016.