Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 7816. 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 03-Nov-2016 ****************************************** %chk=\\icnas3.cc.ic.ac.uk\csw114\Desktop\Y3 computational\exercise 2\EXERCISE 2 endo\endotsMOs.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=(calcfc,ts) freq b3lyp/6-31g(d) geom=connectivity integral=grid= ultrafine pop=full gfprint ---------------------------------------------------------------------- 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 -0.13882 -0.70504 -1.07707 C -0.13882 0.70504 -1.07707 C -1.11191 1.46086 -0.25658 C -1.9101 0.67246 0.72165 C -1.91009 -0.67249 0.72165 C -1.11189 -1.46087 -0.25658 H 0.22073 -1.24627 -1.94747 H 0.22071 1.24628 -1.94748 H -2.53169 1.25315 1.39897 H -2.53168 -1.25318 1.39897 O -1.27395 2.67246 -0.36612 O -1.27391 -2.67247 -0.36612 C 2.38585 0.00001 -0.65862 H 2.33058 0.00001 -1.74858 H 3.45104 0.00001 -0.37383 C 1.70618 1.15441 0.04286 H 1.87288 2.19579 -0.21064 C 1.37665 0.69963 1.33144 H 1.04907 1.32928 2.15134 C 1.70619 -1.15439 0.04286 H 1.87288 -2.19577 -0.21065 C 1.37665 -0.69962 1.33144 H 1.04907 -1.32927 2.15133 Add virtual bond connecting atoms C16 and C2 Dist= 4.17D+00. Add virtual bond connecting atoms C20 and C1 Dist= 4.17D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4101 calculate D2E/DX2 analytically ! ! R2 R(1,6) 1.4803 calculate D2E/DX2 analytically ! ! R3 R(1,7) 1.0862 calculate D2E/DX2 analytically ! ! R4 R(1,20) 2.2046 calculate D2E/DX2 analytically ! ! R5 R(2,3) 1.4803 calculate D2E/DX2 analytically ! ! R6 R(2,8) 1.0862 calculate D2E/DX2 analytically ! ! R7 R(2,16) 2.2046 calculate D2E/DX2 analytically ! ! R8 R(3,4) 1.4885 calculate D2E/DX2 analytically ! ! R9 R(3,11) 1.2273 calculate D2E/DX2 analytically ! ! R10 R(4,5) 1.3449 calculate D2E/DX2 analytically ! ! R11 R(4,9) 1.0873 calculate D2E/DX2 analytically ! ! R12 R(5,6) 1.4885 calculate D2E/DX2 analytically ! ! R13 R(5,10) 1.0873 calculate D2E/DX2 analytically ! ! R14 R(6,12) 1.2273 calculate D2E/DX2 analytically ! ! R15 R(13,14) 1.0914 calculate D2E/DX2 analytically ! ! R16 R(13,15) 1.1026 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) 1.4056 calculate D2E/DX2 analytically ! ! R21 R(18,19) 1.0844 calculate D2E/DX2 analytically ! ! R22 R(18,22) 1.3993 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) 120.7028 calculate D2E/DX2 analytically ! ! A2 A(2,1,7) 119.8868 calculate D2E/DX2 analytically ! ! A3 A(2,1,20) 101.7609 calculate D2E/DX2 analytically ! ! A4 A(6,1,7) 114.0368 calculate D2E/DX2 analytically ! ! A5 A(6,1,20) 99.4672 calculate D2E/DX2 analytically ! ! A6 A(7,1,20) 91.6326 calculate D2E/DX2 analytically ! ! A7 A(1,2,3) 120.7026 calculate D2E/DX2 analytically ! ! A8 A(1,2,8) 119.8867 calculate D2E/DX2 analytically ! ! A9 A(1,2,16) 101.761 calculate D2E/DX2 analytically ! ! A10 A(3,2,8) 114.0366 calculate D2E/DX2 analytically ! ! A11 A(3,2,16) 99.4675 calculate D2E/DX2 analytically ! ! A12 A(8,2,16) 91.6333 calculate D2E/DX2 analytically ! ! A13 A(2,3,4) 116.5079 calculate D2E/DX2 analytically ! ! A14 A(2,3,11) 122.7772 calculate D2E/DX2 analytically ! ! A15 A(4,3,11) 120.7135 calculate D2E/DX2 analytically ! ! A16 A(3,4,5) 121.9823 calculate D2E/DX2 analytically ! ! A17 A(3,4,9) 115.6616 calculate D2E/DX2 analytically ! ! A18 A(5,4,9) 122.2792 calculate D2E/DX2 analytically ! ! A19 A(4,5,6) 121.9822 calculate D2E/DX2 analytically ! ! A20 A(4,5,10) 122.2792 calculate D2E/DX2 analytically ! ! A21 A(6,5,10) 115.6616 calculate D2E/DX2 analytically ! ! A22 A(1,6,5) 116.5079 calculate D2E/DX2 analytically ! ! A23 A(1,6,12) 122.7772 calculate D2E/DX2 analytically ! ! A24 A(5,6,12) 120.7135 calculate D2E/DX2 analytically ! ! A25 A(14,13,15) 107.8709 calculate D2E/DX2 analytically ! ! A26 A(14,13,16) 116.1379 calculate D2E/DX2 analytically ! ! A27 A(14,13,20) 116.138 calculate D2E/DX2 analytically ! ! A28 A(15,13,16) 108.3244 calculate D2E/DX2 analytically ! ! A29 A(15,13,20) 108.3244 calculate D2E/DX2 analytically ! ! A30 A(16,13,20) 99.5309 calculate D2E/DX2 analytically ! ! A31 A(2,16,13) 89.1343 calculate D2E/DX2 analytically ! ! A32 A(2,16,17) 101.864 calculate D2E/DX2 analytically ! ! A33 A(2,16,18) 101.7447 calculate D2E/DX2 analytically ! ! A34 A(13,16,17) 123.7412 calculate D2E/DX2 analytically ! ! A35 A(13,16,18) 106.4774 calculate D2E/DX2 analytically ! ! A36 A(17,16,18) 124.1175 calculate D2E/DX2 analytically ! ! A37 A(16,18,19) 125.1738 calculate D2E/DX2 analytically ! ! A38 A(16,18,22) 108.8766 calculate D2E/DX2 analytically ! ! A39 A(19,18,22) 125.4945 calculate D2E/DX2 analytically ! ! A40 A(1,20,13) 89.1344 calculate D2E/DX2 analytically ! ! A41 A(1,20,21) 101.8631 calculate D2E/DX2 analytically ! ! A42 A(1,20,22) 101.7446 calculate D2E/DX2 analytically ! ! A43 A(13,20,21) 123.7412 calculate D2E/DX2 analytically ! ! A44 A(13,20,22) 106.4776 calculate D2E/DX2 analytically ! ! A45 A(21,20,22) 124.1177 calculate D2E/DX2 analytically ! ! A46 A(18,22,20) 108.8766 calculate D2E/DX2 analytically ! ! A47 A(18,22,23) 125.4945 calculate D2E/DX2 analytically ! ! A48 A(20,22,23) 125.1739 calculate D2E/DX2 analytically ! ! D1 D(6,1,2,3) -0.0002 calculate D2E/DX2 analytically ! ! D2 D(6,1,2,8) -152.581 calculate D2E/DX2 analytically ! ! D3 D(6,1,2,16) 108.6045 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,3) 152.5817 calculate D2E/DX2 analytically ! ! D5 D(7,1,2,8) 0.001 calculate D2E/DX2 analytically ! ! D6 D(7,1,2,16) -98.8136 calculate D2E/DX2 analytically ! ! D7 D(20,1,2,3) -108.6047 calculate D2E/DX2 analytically ! ! D8 D(20,1,2,8) 98.8146 calculate D2E/DX2 analytically ! ! D9 D(20,1,2,16) 0.0001 calculate D2E/DX2 analytically ! ! D10 D(2,1,6,5) -10.0882 calculate D2E/DX2 analytically ! ! D11 D(2,1,6,12) 169.4917 calculate D2E/DX2 analytically ! ! D12 D(7,1,6,5) -164.1661 calculate D2E/DX2 analytically ! ! D13 D(7,1,6,12) 15.4138 calculate D2E/DX2 analytically ! ! D14 D(20,1,6,5) 99.7493 calculate D2E/DX2 analytically ! ! D15 D(20,1,6,12) -80.6709 calculate D2E/DX2 analytically ! ! D16 D(2,1,20,13) -39.0388 calculate D2E/DX2 analytically ! ! D17 D(2,1,20,21) -163.4034 calculate D2E/DX2 analytically ! ! D18 D(2,1,20,22) 67.6155 calculate D2E/DX2 analytically ! ! D19 D(6,1,20,13) -163.3337 calculate D2E/DX2 analytically ! ! D20 D(6,1,20,21) 72.3017 calculate D2E/DX2 analytically ! ! D21 D(6,1,20,22) -56.6794 calculate D2E/DX2 analytically ! ! D22 D(7,1,20,13) 81.9662 calculate D2E/DX2 analytically ! ! D23 D(7,1,20,21) -42.3983 calculate D2E/DX2 analytically ! ! D24 D(7,1,20,22) -171.3794 calculate D2E/DX2 analytically ! ! D25 D(1,2,3,4) 10.0885 calculate D2E/DX2 analytically ! ! D26 D(1,2,3,11) -169.4913 calculate D2E/DX2 analytically ! ! D27 D(8,2,3,4) 164.1653 calculate D2E/DX2 analytically ! ! D28 D(8,2,3,11) -15.4146 calculate D2E/DX2 analytically ! ! D29 D(16,2,3,4) -99.7491 calculate D2E/DX2 analytically ! ! D30 D(16,2,3,11) 80.671 calculate D2E/DX2 analytically ! ! D31 D(1,2,16,13) 39.0387 calculate D2E/DX2 analytically ! ! D32 D(1,2,16,17) 163.4033 calculate D2E/DX2 analytically ! ! D33 D(1,2,16,18) -67.6154 calculate D2E/DX2 analytically ! ! D34 D(3,2,16,13) 163.3335 calculate D2E/DX2 analytically ! ! D35 D(3,2,16,17) -72.3019 calculate D2E/DX2 analytically ! ! D36 D(3,2,16,18) 56.6794 calculate D2E/DX2 analytically ! ! D37 D(8,2,16,13) -81.9665 calculate D2E/DX2 analytically ! ! D38 D(8,2,16,17) 42.3981 calculate D2E/DX2 analytically ! ! D39 D(8,2,16,18) 171.3794 calculate D2E/DX2 analytically ! ! D40 D(2,3,4,5) -10.2281 calculate D2E/DX2 analytically ! ! D41 D(2,3,4,9) 172.8955 calculate D2E/DX2 analytically ! ! D42 D(11,3,4,5) 169.3611 calculate D2E/DX2 analytically ! ! D43 D(11,3,4,9) -7.5154 calculate D2E/DX2 analytically ! ! D44 D(3,4,5,6) 0.0 calculate D2E/DX2 analytically ! ! D45 D(3,4,5,10) -176.6696 calculate D2E/DX2 analytically ! ! D46 D(9,4,5,6) 176.6697 calculate D2E/DX2 analytically ! ! D47 D(9,4,5,10) 0.0 calculate D2E/DX2 analytically ! ! D48 D(4,5,6,1) 10.2279 calculate D2E/DX2 analytically ! ! D49 D(4,5,6,12) -169.3612 calculate D2E/DX2 analytically ! ! D50 D(10,5,6,1) -172.8956 calculate D2E/DX2 analytically ! ! D51 D(10,5,6,12) 7.5152 calculate D2E/DX2 analytically ! ! D52 D(14,13,16,2) 52.7709 calculate D2E/DX2 analytically ! ! D53 D(14,13,16,17) -50.9486 calculate D2E/DX2 analytically ! ! D54 D(14,13,16,18) 154.7658 calculate D2E/DX2 analytically ! ! D55 D(15,13,16,2) 174.2784 calculate D2E/DX2 analytically ! ! D56 D(15,13,16,17) 70.5589 calculate D2E/DX2 analytically ! ! D57 D(15,13,16,18) -83.7267 calculate D2E/DX2 analytically ! ! D58 D(20,13,16,2) -72.6779 calculate D2E/DX2 analytically ! ! D59 D(20,13,16,17) -176.3975 calculate D2E/DX2 analytically ! ! D60 D(20,13,16,18) 29.3169 calculate D2E/DX2 analytically ! ! D61 D(14,13,20,1) -52.7708 calculate D2E/DX2 analytically ! ! D62 D(14,13,20,21) 50.9478 calculate D2E/DX2 analytically ! ! D63 D(14,13,20,22) -154.7655 calculate D2E/DX2 analytically ! ! D64 D(15,13,20,1) -174.2783 calculate D2E/DX2 analytically ! ! D65 D(15,13,20,21) -70.5598 calculate D2E/DX2 analytically ! ! D66 D(15,13,20,22) 83.7269 calculate D2E/DX2 analytically ! ! D67 D(16,13,20,1) 72.678 calculate D2E/DX2 analytically ! ! D68 D(16,13,20,21) 176.3966 calculate D2E/DX2 analytically ! ! D69 D(16,13,20,22) -29.3167 calculate D2E/DX2 analytically ! ! D70 D(2,16,18,19) -99.5206 calculate D2E/DX2 analytically ! ! D71 D(2,16,18,22) 73.0754 calculate D2E/DX2 analytically ! ! D72 D(13,16,18,19) 167.8772 calculate D2E/DX2 analytically ! ! D73 D(13,16,18,22) -19.5268 calculate D2E/DX2 analytically ! ! D74 D(17,16,18,19) 13.7138 calculate D2E/DX2 analytically ! ! D75 D(17,16,18,22) -173.6902 calculate D2E/DX2 analytically ! ! D76 D(16,18,22,20) 0.0004 calculate D2E/DX2 analytically ! ! D77 D(16,18,22,23) -172.5665 calculate D2E/DX2 analytically ! ! D78 D(19,18,22,20) 172.5668 calculate D2E/DX2 analytically ! ! D79 D(19,18,22,23) 0.0 calculate D2E/DX2 analytically ! ! D80 D(1,20,22,18) -73.0761 calculate D2E/DX2 analytically ! ! D81 D(1,20,22,23) 99.5203 calculate D2E/DX2 analytically ! ! D82 D(13,20,22,18) 19.5262 calculate D2E/DX2 analytically ! ! D83 D(13,20,22,23) -167.8773 calculate D2E/DX2 analytically ! ! D84 D(21,20,22,18) 173.6906 calculate D2E/DX2 analytically ! ! D85 D(21,20,22,23) -13.713 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 -0.138815 -0.705039 -1.077071 2 6 0 -0.138821 0.705041 -1.077070 3 6 0 -1.111906 1.460863 -0.256580 4 6 0 -1.910102 0.672464 0.721654 5 6 0 -1.910094 -0.672485 0.721654 6 6 0 -1.111887 -1.460874 -0.256581 7 1 0 0.220732 -1.246270 -1.947470 8 1 0 0.220707 1.246275 -1.947475 9 1 0 -2.531693 1.253153 1.398966 10 1 0 -2.531678 -1.253182 1.398965 11 8 0 -1.273949 2.672458 -0.366121 12 8 0 -1.273913 -2.672472 -0.366121 13 6 0 2.385846 0.000011 -0.658615 14 1 0 2.330582 0.000012 -1.748582 15 1 0 3.451035 0.000014 -0.373829 16 6 0 1.706179 1.154408 0.042863 17 1 0 1.872878 2.195792 -0.210636 18 6 0 1.376649 0.699634 1.331442 19 1 0 1.049073 1.329278 2.151337 20 6 0 1.706186 -1.154389 0.042862 21 1 0 1.872880 -2.195772 -0.210646 22 6 0 1.376648 -0.699622 1.331439 23 1 0 1.049072 -1.329269 2.151331 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.410080 0.000000 3 C 2.512219 1.480326 0.000000 4 C 2.875827 2.524660 1.488500 0.000000 5 C 2.524659 2.875829 2.478955 1.344949 0.000000 6 C 1.480324 2.512220 2.921737 2.478956 1.488501 7 H 1.086186 2.166677 3.458844 3.917425 3.463217 8 H 2.166676 1.086186 2.163569 3.463215 3.917423 9 H 3.961204 3.486691 2.190838 1.087348 2.133827 10 H 3.486690 3.961206 3.481756 2.133827 1.087348 11 O 3.633382 2.380062 1.227281 2.363878 3.574434 12 O 2.380061 3.633384 4.137959 3.574435 2.363880 13 C 2.654452 2.654452 3.811822 4.562072 4.562071 14 H 2.654420 2.654420 4.026274 4.953550 4.953549 15 H 3.725409 3.725410 4.792521 5.513081 5.513079 16 C 2.848824 2.204587 2.850471 3.710865 4.108008 17 H 3.634892 2.649524 3.074275 4.183375 4.838084 18 C 3.173432 2.845630 3.048637 3.342950 3.613479 19 H 3.996516 3.496194 3.238087 3.351435 3.848080 20 C 2.204585 2.848821 3.856274 4.108003 3.710859 21 H 2.649508 3.634879 4.720385 4.838069 4.183357 22 C 2.845624 3.173427 3.658196 3.613472 3.342940 23 H 3.496186 3.996508 4.272318 3.848067 3.351418 6 7 8 9 10 6 C 0.000000 7 H 2.163570 0.000000 8 H 3.458842 2.492545 0.000000 9 H 3.481756 5.002159 4.332946 0.000000 10 H 2.190839 4.332948 5.002156 2.506335 0.000000 11 O 4.137958 4.482317 2.601668 2.590729 4.484201 12 O 1.227282 2.601669 4.482315 4.484203 2.590731 13 C 3.811817 2.811064 2.811078 5.475965 5.475963 14 H 4.026270 2.458504 2.458516 5.926140 5.926139 15 H 4.792515 3.803213 3.803229 6.364448 6.364444 16 C 3.856276 3.454162 2.485259 4.450654 5.059144 17 H 4.720396 4.194517 2.578345 4.783266 5.821198 18 C 3.658199 3.984213 3.519420 3.947921 4.369562 19 H 4.272326 4.911193 4.182504 3.659746 4.478498 20 C 2.850462 2.485244 3.454168 5.059140 4.450648 21 H 3.074251 2.578314 4.194513 5.821185 4.783247 22 C 3.048626 3.519405 3.984218 4.369556 3.947911 23 H 3.238071 4.182488 4.911194 4.478486 3.659729 11 12 13 14 15 11 O 0.000000 12 O 5.344930 0.000000 13 C 4.541104 4.541096 0.000000 14 H 4.695297 4.695291 1.091367 0.000000 15 H 5.428397 5.428386 1.102602 1.773516 0.000000 16 C 3.369407 4.867569 1.512168 2.220762 2.133256 17 H 3.186519 5.798833 2.298973 2.719599 2.708995 18 C 3.714758 4.612841 2.338435 3.299395 2.774977 19 H 3.679424 5.267624 3.383747 4.314925 3.729990 20 C 4.867569 3.369397 1.512166 2.220762 2.133255 21 H 5.798825 3.186490 2.298972 2.719597 2.708999 22 C 4.612841 3.714744 2.338436 3.299395 2.774979 23 H 5.267619 3.679405 3.383747 4.314925 3.729994 16 17 18 19 20 16 C 0.000000 17 H 1.084680 0.000000 18 C 1.405648 2.205161 0.000000 19 H 2.215408 2.647342 1.084429 0.000000 20 C 2.308797 3.363891 2.281761 3.323562 0.000000 21 H 3.363891 4.391564 3.317779 4.322453 1.084680 22 C 2.281764 3.317780 1.399256 2.212685 1.405645 23 H 3.323564 4.322453 2.212684 2.658547 2.215406 21 22 23 21 H 0.000000 22 C 2.205161 0.000000 23 H 2.647343 1.084428 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 0.138815 0.705039 -1.077071 2 6 0 0.138821 -0.705041 -1.077070 3 6 0 1.111905 -1.460864 -0.256580 4 6 0 1.910102 -0.672465 0.721654 5 6 0 1.910094 0.672484 0.721654 6 6 0 1.111888 1.460873 -0.256581 7 1 0 -0.220731 1.246270 -1.947470 8 1 0 -0.220708 -1.246275 -1.947475 9 1 0 2.531692 -1.253154 1.398966 10 1 0 2.531679 1.253181 1.398965 11 8 0 1.273947 -2.672459 -0.366121 12 8 0 1.273914 2.672471 -0.366121 13 6 0 -2.385846 -0.000010 -0.658615 14 1 0 -2.330582 -0.000011 -1.748582 15 1 0 -3.451035 -0.000012 -0.373829 16 6 0 -1.706180 -1.154407 0.042863 17 1 0 -1.872879 -2.195791 -0.210636 18 6 0 -1.376649 -0.699633 1.331442 19 1 0 -1.049074 -1.329278 2.151337 20 6 0 -1.706185 1.154390 0.042862 21 1 0 -1.872879 2.195773 -0.210646 22 6 0 -1.376648 0.699623 1.331439 23 1 0 -1.049071 1.329269 2.151331 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448457 0.9889842 0.6659481 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 0.262322845657 1.332330296787 -2.035369359457 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 0.262322845657 1.332330296787 -2.035369359457 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 0.262322845657 1.332330296787 -2.035369359457 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 0.262322845657 1.332330296787 -2.035369359457 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 0.262332748161 -1.332334728678 -2.035367469731 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 0.262332748161 -1.332334728678 -2.035367469731 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 0.262332748161 -1.332334728678 -2.035367469731 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 0.262332748161 -1.332334728678 -2.035367469731 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 2.101196132543 -2.760632304759 -0.484866074959 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 2.101196132543 -2.760632304759 -0.484866074959 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 2.101196132543 -2.760632304759 -0.484866074959 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 2.101196132543 -2.760632304759 -0.484866074959 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 3.609568775716 -1.270774924103 1.363728278918 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 3.609568775716 -1.270774924103 1.363728278918 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 3.609568775716 -1.270774924103 1.363728278918 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 3.609568775716 -1.270774924103 1.363728278918 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 3.609555027439 1.270810348603 1.363728278918 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 3.609555027439 1.270810348603 1.363728278918 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 3.609555027439 1.270810348603 1.363728278918 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 3.609555027439 1.270810348603 1.363728278918 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 2.101163202886 2.760650457579 -0.484867964685 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 2.101163202886 2.760650457579 -0.484867964685 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 2.101163202886 2.760650457579 -0.484867964685 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 2.101163202886 2.760650457579 -0.484867964685 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 -0.417121965120 2.355109027533 -3.680185095794 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 -0.417121965120 2.355109027533 -3.680185095794 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 -0.417077260070 -2.355118396385 -3.680194544425 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 -0.417077260070 -2.355118396385 -3.680194544425 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 4.784204941080 -2.368118735434 2.643662465435 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 4.784204941080 -2.368118735434 2.643662465435 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 4.784179147333 2.368168011846 2.643660575709 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 4.784179147333 2.368168011846 2.643660575709 0.1612777588D+00 0.1000000000D+01 Atom O11 Shell 33 S 6 bf 99 - 99 2.407411790554 -5.050215203737 -0.691868565282 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 2.407411790554 -5.050215203737 -0.691868565282 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 2.407411790554 -5.050215203737 -0.691868565282 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O11 Shell 36 D 1 bf 108 - 113 2.407411790554 -5.050215203737 -0.691868565282 0.8000000000D+00 0.1000000000D+01 Atom O12 Shell 37 S 6 bf 114 - 114 2.407349203036 5.050238695743 -0.691868565282 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 2.407349203036 5.050238695743 -0.691868565282 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 2.407349203036 5.050238695743 -0.691868565282 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O12 Shell 40 D 1 bf 123 - 128 2.407349203036 5.050238695743 -0.691868565282 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 -4.508595740656 -0.000018542398 -1.244602120794 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 -4.508595740656 -0.000018542398 -1.244602120794 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 -4.508595740656 -0.000018542398 -1.244602120794 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 -4.508595740656 -0.000018542398 -1.244602120794 0.8000000000D+00 0.1000000000D+01 Atom H14 Shell 45 S 3 bf 144 - 144 -4.404161915650 -0.000020488398 -3.304341244677 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 -4.404161915650 -0.000020488398 -3.304341244677 0.1612777588D+00 0.1000000000D+01 Atom H15 Shell 47 S 3 bf 146 - 146 -6.521511230421 -0.000023126918 -0.706434574314 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 -6.521511230421 -0.000023126918 -0.706434574314 0.1612777588D+00 0.1000000000D+01 Atom C16 Shell 49 S 6 bf 148 - 148 -3.224212424593 -2.181513413112 0.080999187450 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 -3.224212424593 -2.181513413112 0.080999187450 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 -3.224212424593 -2.181513413112 0.080999187450 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 52 D 1 bf 157 - 162 -3.224212424593 -2.181513413112 0.080999187450 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 53 S 3 bf 163 - 163 -3.539228941637 -4.149443802535 -0.398044497510 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 -3.539228941637 -4.149443802535 -0.398044497510 0.1612777588D+00 0.1000000000D+01 Atom C18 Shell 55 S 6 bf 165 - 165 -2.601490508937 -1.322115436309 2.516060598038 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 -2.601490508937 -1.322115436309 2.516060598038 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 -2.601490508937 -1.322115436309 2.516060598038 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C18 Shell 58 D 1 bf 174 - 179 -2.601490508937 -1.322115436309 2.516060598038 0.8000000000D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 -1.982462222384 -2.511970491086 4.065437605760 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 -1.982462222384 -2.511970491086 4.065437605760 0.1612777588D+00 0.1000000000D+01 Atom C20 Shell 61 S 6 bf 182 - 182 -3.224223301680 2.181480613322 0.080997297724 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 -3.224223301680 2.181480613322 0.080997297724 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 -3.224223301680 2.181480613322 0.080997297724 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C20 Shell 64 D 1 bf 191 - 196 -3.224223301680 2.181480613322 0.080997297724 0.8000000000D+00 0.1000000000D+01 Atom H21 Shell 65 S 3 bf 197 - 197 -3.539228249258 4.149409452505 -0.398063394771 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 -3.539228249258 4.149409452505 -0.398063394771 0.1612777588D+00 0.1000000000D+01 Atom C22 Shell 67 S 6 bf 199 - 199 -2.601487194380 1.322095193487 2.516054928860 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 -2.601487194380 1.322095193487 2.516054928860 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 -2.601487194380 1.322095193487 2.516054928860 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C22 Shell 70 D 1 bf 208 - 213 -2.601487194380 1.322095193487 2.516054928860 0.8000000000D+00 0.1000000000D+01 Atom H23 Shell 71 S 3 bf 214 - 214 -1.982457625519 2.511955250317 4.065426267403 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 -1.982457625519 2.511955250317 4.065426267403 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 776.2867378819 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 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) = -575.529147515 A.U. after 15 cycles NFock= 15 Conv=0.74D-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 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= 2.00D-01 1.16D-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= 1.04D-01 6.25D-02. 66 vectors produced by pass 2 Test12= 1.08D-14 1.39D-09 XBig12= 1.05D-03 4.11D-03. 66 vectors produced by pass 3 Test12= 1.08D-14 1.39D-09 XBig12= 5.56D-06 3.19D-04. 66 vectors produced by pass 4 Test12= 1.08D-14 1.39D-09 XBig12= 9.22D-09 9.12D-06. 62 vectors produced by pass 5 Test12= 1.08D-14 1.39D-09 XBig12= 7.74D-12 2.48D-07. 11 vectors produced by pass 6 Test12= 1.08D-14 1.39D-09 XBig12= 6.99D-15 9.86D-09. InvSVY: IOpt=1 It= 1 EMax= 1.22D-15 Solved reduced A of dimension 403 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 -- -19.13269 -19.13268 -10.27483 -10.27482 -10.22603 Alpha occ. eigenvalues -- -10.22601 -10.21467 -10.21386 -10.21357 -10.20937 Alpha occ. eigenvalues -- -10.20887 -10.20766 -10.20712 -1.03152 -1.02943 Alpha occ. eigenvalues -- -0.88968 -0.83371 -0.76996 -0.72882 -0.72786 Alpha occ. eigenvalues -- -0.68577 -0.62325 -0.58489 -0.57991 -0.54924 Alpha occ. eigenvalues -- -0.53778 -0.49216 -0.48232 -0.46759 -0.46721 Alpha occ. eigenvalues -- -0.44677 -0.41700 -0.40750 -0.40696 -0.40006 Alpha occ. eigenvalues -- -0.39570 -0.39320 -0.39081 -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 -- -0.09080 -0.03741 -0.02162 0.04090 0.06874 Alpha virt. eigenvalues -- 0.08016 0.10838 0.12069 0.13553 0.13580 Alpha virt. eigenvalues -- 0.15098 0.15136 0.15962 0.17377 0.17488 Alpha virt. eigenvalues -- 0.19698 0.19869 0.20672 0.21914 0.25273 Alpha virt. eigenvalues -- 0.26948 0.29516 0.31833 0.33572 0.34535 Alpha virt. eigenvalues -- 0.36194 0.37929 0.43080 0.44857 0.48425 Alpha virt. eigenvalues -- 0.48559 0.50351 0.51925 0.52833 0.54429 Alpha virt. eigenvalues -- 0.54786 0.56139 0.56699 0.58446 0.60219 Alpha virt. eigenvalues -- 0.61795 0.62438 0.64902 0.65691 0.66458 Alpha virt. eigenvalues -- 0.67570 0.69245 0.72476 0.72863 0.74567 Alpha virt. eigenvalues -- 0.75002 0.76838 0.79224 0.80418 0.81543 Alpha virt. eigenvalues -- 0.82130 0.82604 0.82685 0.83928 0.84247 Alpha virt. eigenvalues -- 0.86571 0.87300 0.88291 0.89339 0.91575 Alpha virt. eigenvalues -- 0.92346 0.92862 0.94906 0.95853 0.96806 Alpha virt. eigenvalues -- 0.99204 1.01522 1.04639 1.05789 1.06981 Alpha virt. eigenvalues -- 1.09267 1.12489 1.14714 1.18147 1.20917 Alpha virt. eigenvalues -- 1.22388 1.23320 1.27425 1.28330 1.34147 Alpha virt. eigenvalues -- 1.35789 1.40069 1.40792 1.41784 1.42123 Alpha virt. eigenvalues -- 1.43717 1.45359 1.48633 1.52252 1.53992 Alpha virt. eigenvalues -- 1.54516 1.62901 1.64041 1.65242 1.70177 Alpha virt. eigenvalues -- 1.77129 1.77527 1.79462 1.83237 1.84511 Alpha virt. eigenvalues -- 1.84720 1.85949 1.89006 1.90255 1.91044 Alpha virt. eigenvalues -- 1.91981 1.92517 1.94246 1.98307 1.98587 Alpha virt. eigenvalues -- 2.02451 2.04221 2.05221 2.08274 2.09859 Alpha virt. eigenvalues -- 2.10508 2.11488 2.13663 2.20201 2.20450 Alpha virt. eigenvalues -- 2.21757 2.24203 2.27768 2.28224 2.30753 Alpha virt. eigenvalues -- 2.32014 2.34410 2.36827 2.40391 2.45222 Alpha virt. eigenvalues -- 2.47126 2.50715 2.57242 2.57977 2.59740 Alpha virt. eigenvalues -- 2.62870 2.62883 2.63412 2.65579 2.66895 Alpha virt. eigenvalues -- 2.68099 2.71168 2.76370 2.83234 2.91143 Alpha virt. eigenvalues -- 2.95541 2.96966 2.97906 3.01621 3.18202 Alpha virt. eigenvalues -- 3.25400 3.99318 4.03186 4.08890 4.18659 Alpha virt. eigenvalues -- 4.25660 4.30665 4.35409 4.36554 4.52476 Alpha virt. eigenvalues -- 4.54455 4.63816 4.66211 4.94522 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.13269 -19.13268 -10.27483 -10.27482 -10.22603 1 1 C 1S -0.00004 0.00004 0.00144 0.00146 0.00027 2 2S -0.00024 0.00021 -0.00040 -0.00027 0.00121 3 2PX 0.00007 -0.00001 0.00001 -0.00016 -0.00001 4 2PY -0.00004 -0.00009 -0.00011 0.00011 0.00011 5 2PZ -0.00003 0.00005 -0.00006 -0.00010 0.00007 6 3S 0.00394 -0.00100 0.01099 0.00336 -0.00866 7 3PX 0.00069 -0.00050 0.00294 0.00151 0.00176 8 3PY -0.00176 0.00047 -0.00305 -0.00028 0.00245 9 3PZ 0.00155 -0.00081 0.00370 0.00154 -0.00229 10 4XX -0.00002 0.00004 -0.00022 -0.00022 0.00006 11 4YY 0.00003 0.00003 -0.00021 -0.00020 0.00028 12 4ZZ -0.00004 0.00007 -0.00020 -0.00022 0.00020 13 4XY 0.00002 0.00002 -0.00016 -0.00013 -0.00001 14 4XZ 0.00002 -0.00004 -0.00003 -0.00001 0.00015 15 4YZ -0.00001 -0.00002 -0.00010 -0.00007 0.00005 16 2 C 1S 0.00004 0.00004 -0.00143 0.00147 -0.00027 17 2S 0.00025 0.00020 0.00040 -0.00027 -0.00121 18 2PX -0.00007 -0.00001 -0.00001 -0.00016 0.00001 19 2PY -0.00004 0.00009 -0.00011 -0.00010 0.00011 20 2PZ 0.00003 0.00005 0.00006 -0.00010 -0.00007 21 3S -0.00396 -0.00091 -0.01097 0.00343 0.00866 22 3PX -0.00070 -0.00049 -0.00293 0.00153 -0.00176 23 3PY -0.00177 -0.00043 -0.00305 0.00030 0.00245 24 3PZ -0.00157 -0.00077 -0.00369 0.00156 0.00229 25 4XX 0.00002 0.00004 0.00022 -0.00022 -0.00006 26 4YY -0.00003 0.00003 0.00021 -0.00020 -0.00028 27 4ZZ 0.00004 0.00007 0.00020 -0.00022 -0.00020 28 4XY 0.00002 -0.00002 -0.00016 0.00014 -0.00001 29 4XZ -0.00002 -0.00004 0.00003 -0.00001 -0.00015 30 4YZ -0.00001 0.00002 -0.00010 0.00007 0.00005 31 3 C 1S -0.00007 -0.00002 -0.70007 0.70432 0.00002 32 2S 0.00007 0.00026 -0.03521 0.03485 -0.00001 33 2PX -0.00002 -0.00001 0.00001 0.00000 0.00022 34 2PY -0.00005 -0.00002 0.00030 -0.00042 -0.00006 35 2PZ 0.00000 0.00001 -0.00004 0.00004 0.00005 36 3S -0.00072 -0.00179 0.01277 -0.00837 0.00035 37 3PX -0.00069 -0.00061 -0.00144 0.00101 0.00032 38 3PY 0.00561 0.00366 0.00997 -0.00499 -0.00221 39 3PZ 0.00053 0.00014 0.00112 -0.00038 -0.00033 40 4XX -0.00008 -0.00004 0.00636 -0.00657 -0.00015 41 4YY -0.00074 -0.00061 0.00553 -0.00584 -0.00004 42 4ZZ -0.00011 -0.00005 0.00634 -0.00656 -0.00004 43 4XY 0.00010 0.00008 0.00014 -0.00014 0.00003 44 4XZ 0.00006 0.00001 0.00002 0.00009 0.00000 45 4YZ -0.00005 -0.00005 -0.00008 0.00009 -0.00004 46 4 C 1S 0.00001 0.00002 -0.00148 0.00153 0.00009 47 2S 0.00014 0.00013 0.00036 -0.00024 0.00005 48 2PX 0.00002 -0.00001 -0.00006 0.00010 -0.00005 49 2PY -0.00003 0.00009 -0.00011 -0.00006 -0.00002 50 2PZ 0.00002 -0.00001 -0.00007 0.00018 -0.00005 51 3S -0.00338 -0.00019 -0.01124 0.00280 0.00094 52 3PX 0.00129 0.00055 0.00387 -0.00142 -0.00009 53 3PY -0.00167 -0.00067 -0.00326 0.00047 0.00065 54 3PZ 0.00122 0.00056 0.00386 -0.00155 -0.00012 55 4XX -0.00002 0.00001 0.00016 -0.00020 0.00003 56 4YY -0.00009 -0.00003 0.00026 -0.00020 0.00004 57 4ZZ -0.00001 0.00000 0.00025 -0.00024 0.00006 58 4XY -0.00001 0.00000 0.00009 -0.00007 0.00002 59 4XZ -0.00003 -0.00004 0.00004 -0.00001 0.00000 60 4YZ -0.00002 0.00001 0.00017 -0.00015 0.00000 61 5 C 1S -0.00001 0.00002 0.00149 0.00152 -0.00009 62 2S -0.00014 0.00013 -0.00036 -0.00024 -0.00005 63 2PX -0.00002 -0.00001 0.00006 0.00010 0.00005 64 2PY -0.00003 -0.00009 -0.00011 0.00006 -0.00002 65 2PZ -0.00002 -0.00001 0.00008 0.00018 0.00005 66 3S 0.00337 -0.00027 0.01126 0.00273 -0.00094 67 3PX -0.00128 0.00058 -0.00388 -0.00140 0.00009 68 3PY -0.00165 0.00071 -0.00326 -0.00045 0.00065 69 3PZ -0.00120 0.00059 -0.00387 -0.00152 0.00012 70 4XX 0.00002 0.00001 -0.00016 -0.00020 -0.00003 71 4YY 0.00009 -0.00003 -0.00026 -0.00020 -0.00004 72 4ZZ 0.00001 0.00000 -0.00025 -0.00024 -0.00006 73 4XY -0.00001 0.00000 0.00009 0.00007 0.00002 74 4XZ 0.00003 -0.00005 -0.00004 -0.00001 0.00000 75 4YZ -0.00002 -0.00001 0.00017 0.00015 0.00000 76 6 C 1S 0.00007 -0.00002 0.70446 0.69993 -0.00002 77 2S -0.00006 0.00026 0.03543 0.03463 0.00001 78 2PX 0.00002 -0.00001 -0.00001 0.00000 -0.00022 79 2PY -0.00005 0.00002 0.00031 0.00042 -0.00006 80 2PZ 0.00000 0.00001 0.00004 0.00004 -0.00005 81 3S 0.00068 -0.00181 -0.01282 -0.00829 -0.00035 82 3PX 0.00068 -0.00062 0.00145 0.00100 -0.00032 83 3PY 0.00552 -0.00379 0.01000 0.00492 -0.00220 84 3PZ -0.00053 0.00016 -0.00112 -0.00037 0.00033 85 4XX 0.00008 -0.00005 -0.00641 -0.00653 0.00015 86 4YY 0.00073 -0.00063 -0.00557 -0.00581 0.00004 87 4ZZ 0.00011 -0.00006 -0.00638 -0.00652 0.00004 88 4XY 0.00009 -0.00009 0.00014 0.00014 0.00003 89 4XZ -0.00006 0.00001 -0.00002 0.00009 0.00000 90 4YZ -0.00005 0.00005 -0.00008 -0.00009 -0.00004 91 7 H 1S 0.00004 -0.00004 0.00007 0.00005 0.00024 92 2S 0.00053 -0.00036 0.00099 0.00048 -0.00009 93 8 H 1S -0.00004 -0.00004 -0.00007 0.00005 -0.00024 94 2S -0.00054 -0.00034 -0.00099 0.00048 0.00009 95 9 H 1S -0.00007 -0.00005 -0.00014 0.00004 0.00002 96 2S -0.00065 -0.00048 -0.00141 0.00073 0.00006 97 10 H 1S 0.00007 -0.00005 0.00014 0.00004 -0.00002 98 2S 0.00064 -0.00050 0.00141 0.00072 -0.00006 99 11 O 1S 0.70996 0.69377 -0.00008 -0.00002 0.00009 100 2S 0.01794 0.01772 -0.00099 0.00055 0.00039 101 2PX -0.00011 -0.00011 -0.00002 0.00002 -0.00001 102 2PY 0.00079 0.00077 0.00005 -0.00003 0.00004 103 2PZ 0.00007 0.00007 0.00002 -0.00001 -0.00001 104 3S 0.01278 0.01110 0.00708 -0.00386 -0.00251 105 3PX -0.00026 -0.00019 -0.00024 0.00012 0.00013 106 3PY 0.00183 0.00147 0.00240 -0.00174 -0.00064 107 3PZ 0.00016 0.00016 0.00014 -0.00016 -0.00004 108 4XX -0.00608 -0.00581 -0.00069 0.00041 0.00022 109 4YY -0.00564 -0.00543 -0.00009 -0.00010 0.00021 110 4ZZ -0.00609 -0.00582 -0.00069 0.00041 0.00026 111 4XY -0.00007 -0.00006 -0.00007 0.00006 0.00003 112 4XZ -0.00002 -0.00001 0.00004 -0.00005 0.00001 113 4YZ 0.00005 0.00005 0.00006 -0.00007 -0.00001 114 12 O 1S -0.69372 0.71001 0.00008 -0.00003 -0.00009 115 2S -0.01753 0.01813 0.00100 0.00054 -0.00039 116 2PX 0.00011 -0.00011 0.00002 0.00002 0.00001 117 2PY 0.00077 -0.00078 0.00005 0.00003 0.00004 118 2PZ -0.00007 0.00007 -0.00002 -0.00001 0.00001 119 3S -0.01252 0.01139 -0.00711 -0.00382 0.00251 120 3PX 0.00025 -0.00019 0.00024 0.00012 -0.00013 121 3PY 0.00180 -0.00151 0.00241 0.00172 -0.00064 122 3PZ -0.00015 0.00016 -0.00014 -0.00016 0.00004 123 4XX 0.00595 -0.00595 0.00069 0.00040 -0.00022 124 4YY 0.00551 -0.00556 0.00009 -0.00010 -0.00021 125 4ZZ 0.00595 -0.00596 0.00069 0.00040 -0.00026 126 4XY -0.00007 0.00006 -0.00007 -0.00006 0.00003 127 4XZ 0.00002 -0.00001 -0.00004 -0.00005 -0.00001 128 4YZ 0.00004 -0.00005 0.00006 0.00006 -0.00001 129 13 C 1S 0.00000 0.00000 0.00000 -0.00002 0.00001 130 2S 0.00000 0.00003 0.00000 -0.00015 0.00000 131 2PX 0.00000 -0.00001 0.00000 0.00006 0.00000 132 2PY 0.00003 0.00000 0.00008 0.00000 -0.00029 133 2PZ 0.00000 -0.00003 0.00000 0.00003 0.00000 134 3S -0.00001 -0.00045 0.00001 0.00162 0.00001 135 3PX 0.00000 -0.00024 0.00000 0.00043 0.00000 136 3PY -0.00002 0.00000 0.00020 0.00000 -0.00296 137 3PZ 0.00000 -0.00012 0.00000 0.00090 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00003 0.00000 139 4YY 0.00000 0.00001 0.00000 0.00002 0.00000 140 4ZZ 0.00000 -0.00001 0.00000 0.00003 0.00000 141 4XY 0.00000 0.00000 0.00003 0.00000 0.00007 142 4XZ 0.00000 -0.00001 0.00000 0.00003 0.00000 143 4YZ 0.00000 0.00000 0.00005 0.00000 0.00012 144 14 H 1S 0.00000 0.00003 0.00000 -0.00004 0.00000 145 2S 0.00000 -0.00005 0.00000 0.00042 0.00000 146 15 H 1S 0.00000 -0.00001 0.00000 -0.00008 0.00000 147 2S 0.00000 -0.00003 0.00000 0.00001 0.00000 148 16 C 1S -0.00003 -0.00003 0.00005 0.00000 0.70282 149 2S -0.00016 -0.00011 -0.00009 0.00011 0.03643 150 2PX 0.00000 -0.00003 0.00015 -0.00008 0.00022 151 2PY 0.00000 -0.00002 -0.00001 0.00008 0.00053 152 2PZ 0.00000 -0.00001 0.00006 0.00001 -0.00016 153 3S 0.00103 0.00068 0.00181 -0.00128 -0.01957 154 3PX 0.00030 0.00015 0.00013 0.00025 -0.00184 155 3PY 0.00033 0.00033 0.00117 -0.00127 -0.00607 156 3PZ 0.00029 0.00010 0.00074 -0.00041 -0.00147 157 4XX -0.00001 -0.00003 0.00010 0.00001 -0.00610 158 4YY -0.00004 -0.00005 0.00007 -0.00004 -0.00607 159 4ZZ -0.00004 -0.00004 0.00007 -0.00003 -0.00599 160 4XY 0.00002 0.00000 0.00003 0.00002 -0.00007 161 4XZ -0.00001 0.00001 0.00001 -0.00003 0.00005 162 4YZ 0.00001 0.00000 -0.00001 0.00002 0.00008 163 17 H 1S -0.00001 0.00001 0.00004 -0.00007 -0.00024 164 2S 0.00005 0.00007 0.00042 -0.00051 -0.00004 165 18 C 1S 0.00001 0.00000 0.00018 -0.00008 0.00959 166 2S 0.00007 0.00001 0.00044 -0.00017 0.00015 167 2PX -0.00001 -0.00002 0.00011 -0.00009 0.00010 168 2PY 0.00000 0.00003 -0.00005 0.00001 0.00009 169 2PZ 0.00002 0.00003 -0.00008 0.00000 0.00007 170 3S -0.00108 -0.00023 -0.00415 0.00120 0.00979 171 3PX 0.00010 0.00005 -0.00013 0.00003 -0.00114 172 3PY -0.00023 -0.00005 -0.00102 -0.00006 0.00139 173 3PZ 0.00045 0.00015 0.00173 -0.00057 -0.00466 174 4XX 0.00002 -0.00001 0.00021 -0.00008 -0.00020 175 4YY -0.00001 -0.00001 0.00016 -0.00009 -0.00026 176 4ZZ 0.00000 -0.00002 0.00009 -0.00002 -0.00032 177 4XY 0.00000 0.00000 -0.00003 -0.00003 -0.00006 178 4XZ 0.00001 0.00000 -0.00002 0.00002 -0.00010 179 4YZ 0.00000 0.00001 0.00002 0.00000 -0.00006 180 19 H 1S -0.00002 -0.00002 0.00004 -0.00005 0.00002 181 2S -0.00005 -0.00002 -0.00030 0.00004 0.00087 182 20 C 1S 0.00003 -0.00003 -0.00005 0.00001 -0.70187 183 2S 0.00016 -0.00011 0.00009 0.00011 -0.03639 184 2PX 0.00000 -0.00003 -0.00015 -0.00007 -0.00022 185 2PY 0.00000 0.00002 -0.00001 -0.00008 0.00053 186 2PZ 0.00000 -0.00001 -0.00006 0.00001 0.00017 187 3S -0.00101 0.00071 -0.00181 -0.00127 0.01955 188 3PX -0.00030 0.00016 -0.00013 0.00025 0.00184 189 3PY 0.00033 -0.00033 0.00117 0.00127 -0.00607 190 3PZ -0.00028 0.00010 -0.00074 -0.00041 0.00147 191 4XX 0.00001 -0.00003 -0.00010 0.00001 0.00609 192 4YY 0.00004 -0.00005 -0.00007 -0.00004 0.00606 193 4ZZ 0.00004 -0.00004 -0.00007 -0.00003 0.00598 194 4XY 0.00002 0.00000 0.00003 -0.00002 -0.00007 195 4XZ 0.00001 0.00001 -0.00001 -0.00003 -0.00005 196 4YZ 0.00001 0.00000 -0.00001 -0.00002 0.00008 197 21 H 1S 0.00001 0.00001 -0.00004 -0.00007 0.00024 198 2S -0.00005 0.00007 -0.00043 -0.00051 0.00004 199 22 C 1S -0.00001 0.00000 -0.00018 -0.00008 -0.00958 200 2S -0.00007 0.00001 -0.00044 -0.00017 -0.00015 201 2PX 0.00001 -0.00002 -0.00011 -0.00009 -0.00010 202 2PY 0.00000 -0.00003 -0.00005 -0.00001 0.00009 203 2PZ -0.00002 0.00003 0.00008 0.00000 -0.00007 204 3S 0.00107 -0.00026 0.00416 0.00117 -0.00978 205 3PX -0.00010 0.00005 0.00013 0.00003 0.00114 206 3PY -0.00022 0.00006 -0.00102 0.00006 0.00139 207 3PZ -0.00045 0.00016 -0.00174 -0.00056 0.00466 208 4XX -0.00002 -0.00001 -0.00021 -0.00008 0.00020 209 4YY 0.00001 -0.00001 -0.00016 -0.00009 0.00026 210 4ZZ 0.00000 -0.00002 -0.00009 -0.00001 0.00032 211 4XY 0.00000 0.00000 -0.00003 0.00003 -0.00006 212 4XZ -0.00001 0.00000 0.00002 0.00002 0.00010 213 4YZ 0.00000 -0.00001 0.00002 0.00000 -0.00006 214 23 H 1S 0.00002 -0.00002 -0.00004 -0.00005 -0.00002 215 2S 0.00005 -0.00002 0.00030 0.00003 -0.00087 6 7 8 9 10 O O O O O Eigenvalues -- -10.22601 -10.21467 -10.21386 -10.21357 -10.20937 1 1 C 1S -0.00024 -0.00061 0.00004 -0.00047 0.70204 2 2S -0.00075 -0.00022 -0.00004 -0.00014 0.03547 3 2PX -0.00005 -0.00003 0.00002 0.00011 -0.00017 4 2PY 0.00012 0.00000 0.00004 0.00005 0.00003 5 2PZ -0.00009 -0.00005 0.00001 0.00003 0.00028 6 3S 0.00296 0.00045 0.00240 -0.00026 -0.01115 7 3PX -0.00043 -0.00006 0.00074 -0.00070 -0.00024 8 3PY 0.00009 0.00022 -0.00166 -0.00055 -0.00118 9 3PZ 0.00122 0.00019 0.00061 -0.00040 -0.00156 10 4XX -0.00007 -0.00002 -0.00003 0.00002 -0.00645 11 4YY -0.00023 0.00000 0.00000 -0.00005 -0.00644 12 4ZZ -0.00020 -0.00002 -0.00006 -0.00012 -0.00632 13 4XY -0.00005 0.00001 -0.00002 0.00000 0.00005 14 4XZ -0.00016 0.00003 0.00001 -0.00002 0.00009 15 4YZ 0.00006 0.00002 0.00001 -0.00007 -0.00008 16 2 C 1S -0.00024 -0.00061 -0.00004 -0.00047 0.70214 17 2S -0.00075 -0.00022 0.00004 -0.00014 0.03547 18 2PX -0.00005 -0.00003 -0.00002 0.00011 -0.00017 19 2PY -0.00012 0.00000 0.00004 -0.00005 -0.00003 20 2PZ -0.00009 -0.00005 -0.00001 0.00003 0.00028 21 3S 0.00295 0.00045 -0.00240 -0.00026 -0.01116 22 3PX -0.00042 -0.00006 -0.00074 -0.00070 -0.00024 23 3PY -0.00010 -0.00022 -0.00166 0.00055 0.00118 24 3PZ 0.00121 0.00019 -0.00061 -0.00040 -0.00156 25 4XX -0.00007 -0.00002 0.00003 0.00002 -0.00645 26 4YY -0.00023 0.00000 0.00000 -0.00005 -0.00644 27 4ZZ -0.00020 -0.00002 0.00006 -0.00012 -0.00632 28 4XY 0.00005 -0.00001 -0.00002 0.00000 -0.00005 29 4XZ -0.00016 0.00003 -0.00001 -0.00002 0.00009 30 4YZ -0.00006 -0.00002 0.00001 0.00007 0.00008 31 3 C 1S 0.00001 -0.00174 -0.00175 -0.00001 -0.00172 32 2S 0.00001 -0.00032 -0.00037 -0.00007 -0.00045 33 2PX 0.00009 -0.00014 -0.00010 -0.00001 0.00009 34 2PY -0.00004 -0.00009 -0.00007 0.00002 -0.00005 35 2PZ 0.00002 -0.00011 -0.00007 0.00002 0.00015 36 3S 0.00032 0.00249 0.00630 0.00090 0.00288 37 3PX 0.00057 0.00093 0.00156 -0.00039 -0.00202 38 3PY -0.00149 0.00104 0.00279 -0.00022 0.00252 39 3PZ 0.00018 0.00089 0.00179 -0.00060 -0.00135 40 4XX -0.00004 -0.00019 -0.00019 0.00000 -0.00018 41 4YY 0.00003 -0.00013 -0.00014 0.00004 -0.00022 42 4ZZ -0.00001 -0.00021 -0.00025 -0.00001 -0.00024 43 4XY 0.00001 -0.00004 -0.00009 -0.00004 0.00007 44 4XZ -0.00001 -0.00012 -0.00013 0.00002 -0.00010 45 4YZ -0.00003 -0.00006 -0.00006 -0.00001 0.00009 46 4 C 1S 0.00015 0.70178 0.70227 0.00004 0.00054 47 2S 0.00009 0.03476 0.03585 -0.00004 -0.00014 48 2PX -0.00009 -0.00012 -0.00017 0.00000 0.00010 49 2PY -0.00001 -0.00015 0.00042 -0.00001 0.00001 50 2PZ -0.00003 -0.00009 -0.00017 0.00000 0.00007 51 3S -0.00035 -0.00725 -0.01899 0.00033 0.00052 52 3PX 0.00009 0.00059 0.00290 -0.00012 -0.00004 53 3PY 0.00033 0.00078 -0.00329 -0.00007 -0.00060 54 3PZ -0.00001 0.00068 0.00341 -0.00011 -0.00005 55 4XX 0.00005 -0.00684 -0.00652 0.00000 -0.00005 56 4YY 0.00002 -0.00669 -0.00616 0.00000 0.00002 57 4ZZ 0.00009 -0.00683 -0.00653 -0.00001 -0.00007 58 4XY -0.00001 -0.00003 0.00001 0.00000 0.00001 59 4XZ -0.00001 0.00005 0.00007 0.00002 0.00004 60 4YZ -0.00003 -0.00003 0.00001 0.00000 0.00006 61 5 C 1S 0.00015 0.70187 -0.70218 0.00004 0.00054 62 2S 0.00009 0.03476 -0.03585 -0.00004 -0.00014 63 2PX -0.00009 -0.00012 0.00017 0.00000 0.00010 64 2PY 0.00001 0.00015 0.00042 0.00001 -0.00001 65 2PZ -0.00003 -0.00009 0.00017 0.00000 0.00007 66 3S -0.00035 -0.00726 0.01899 0.00033 0.00053 67 3PX 0.00009 0.00059 -0.00290 -0.00012 -0.00004 68 3PY -0.00033 -0.00078 -0.00329 0.00007 0.00059 69 3PZ -0.00001 0.00068 -0.00341 -0.00011 -0.00005 70 4XX 0.00005 -0.00684 0.00652 0.00000 -0.00005 71 4YY 0.00002 -0.00669 0.00616 0.00000 0.00002 72 4ZZ 0.00009 -0.00684 0.00653 -0.00001 -0.00007 73 4XY 0.00001 0.00003 0.00001 0.00000 -0.00001 74 4XZ -0.00001 0.00005 -0.00007 0.00002 0.00004 75 4YZ 0.00003 0.00003 0.00001 0.00000 -0.00005 76 6 C 1S 0.00001 -0.00174 0.00175 -0.00001 -0.00172 77 2S 0.00001 -0.00032 0.00037 -0.00007 -0.00045 78 2PX 0.00009 -0.00014 0.00010 -0.00001 0.00009 79 2PY 0.00004 0.00009 -0.00007 -0.00002 0.00005 80 2PZ 0.00002 -0.00011 0.00007 0.00002 0.00015 81 3S 0.00032 0.00249 -0.00630 0.00090 0.00288 82 3PX 0.00057 0.00093 -0.00156 -0.00039 -0.00202 83 3PY 0.00149 -0.00104 0.00279 0.00022 -0.00252 84 3PZ 0.00018 0.00089 -0.00179 -0.00060 -0.00135 85 4XX -0.00004 -0.00019 0.00019 0.00000 -0.00018 86 4YY 0.00003 -0.00013 0.00014 0.00004 -0.00022 87 4ZZ -0.00001 -0.00021 0.00025 -0.00001 -0.00024 88 4XY -0.00001 0.00004 -0.00009 0.00004 -0.00007 89 4XZ -0.00001 -0.00012 0.00013 0.00002 -0.00010 90 4YZ 0.00003 0.00006 -0.00006 0.00001 -0.00009 91 7 H 1S -0.00004 -0.00002 0.00007 0.00000 -0.00013 92 2S -0.00005 0.00004 0.00027 -0.00038 0.00169 93 8 H 1S -0.00004 -0.00002 -0.00007 0.00000 -0.00013 94 2S -0.00005 0.00004 -0.00027 -0.00038 0.00169 95 9 H 1S 0.00004 -0.00028 -0.00032 -0.00001 -0.00007 96 2S 0.00002 0.00128 0.00030 0.00004 0.00003 97 10 H 1S 0.00004 -0.00028 0.00032 -0.00001 -0.00007 98 2S 0.00002 0.00128 -0.00030 0.00004 0.00003 99 11 O 1S 0.00008 -0.00002 0.00000 0.00001 -0.00009 100 2S 0.00036 -0.00010 -0.00002 0.00006 -0.00044 101 2PX -0.00001 0.00001 0.00002 0.00001 0.00000 102 2PY 0.00004 0.00000 0.00002 0.00000 -0.00003 103 2PZ -0.00001 -0.00001 0.00003 -0.00001 0.00000 104 3S -0.00212 0.00038 0.00012 -0.00046 0.00237 105 3PX 0.00007 -0.00013 -0.00030 0.00003 0.00008 106 3PY -0.00059 0.00008 -0.00018 -0.00017 0.00068 107 3PZ -0.00005 -0.00001 -0.00028 0.00009 0.00024 108 4XX 0.00023 -0.00005 0.00004 0.00003 -0.00029 109 4YY 0.00017 -0.00001 0.00000 0.00000 -0.00014 110 4ZZ 0.00025 -0.00004 0.00001 0.00003 -0.00030 111 4XY 0.00002 -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 0.00008 -0.00002 0.00000 0.00001 -0.00009 115 2S 0.00036 -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 -0.00212 0.00038 -0.00012 -0.00046 0.00237 120 3PX 0.00007 -0.00013 0.00030 0.00003 0.00008 121 3PY 0.00059 -0.00008 -0.00018 0.00017 -0.00068 122 3PZ -0.00005 -0.00002 0.00028 0.00009 0.00024 123 4XX 0.00023 -0.00005 -0.00004 0.00003 -0.00029 124 4YY 0.00017 -0.00001 0.00000 0.00000 -0.00014 125 4ZZ 0.00025 -0.00004 -0.00001 0.00003 -0.00030 126 4XY -0.00002 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 0.01397 -0.00008 0.00000 0.99296 0.00059 130 2S 0.00047 -0.00007 0.00000 0.05056 -0.00011 131 2PX 0.00010 0.00003 0.00000 0.00020 -0.00025 132 2PY 0.00000 0.00000 -0.00004 0.00000 0.00000 133 2PZ -0.00004 0.00001 0.00000 0.00027 -0.00002 134 3S 0.00755 0.00089 0.00000 -0.02046 -0.00134 135 3PX 0.00161 0.00033 0.00000 -0.00177 0.00036 136 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 137 3PZ 0.00205 0.00031 0.00000 -0.00188 -0.00104 138 4XX -0.00019 0.00003 0.00000 -0.00888 -0.00003 139 4YY -0.00058 -0.00001 0.00000 -0.00901 -0.00005 140 4ZZ -0.00032 -0.00001 0.00000 -0.00879 -0.00011 141 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 142 4XZ -0.00013 0.00003 0.00000 -0.00008 -0.00010 143 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 144 14 H 1S -0.00019 -0.00001 0.00000 0.00005 -0.00001 145 2S 0.00011 0.00001 0.00000 0.00242 -0.00053 146 15 H 1S -0.00036 -0.00003 0.00000 0.00008 0.00008 147 2S 0.00016 0.00002 0.00000 0.00258 0.00070 148 16 C 1S 0.70160 -0.00008 -0.00005 -0.01004 -0.00002 149 2S 0.03532 0.00015 0.00007 -0.00057 -0.00066 150 2PX 0.00020 0.00004 0.00003 0.00005 -0.00007 151 2PY 0.00037 0.00002 0.00000 0.00001 -0.00015 152 2PZ 0.00004 0.00000 -0.00005 0.00002 -0.00004 153 3S -0.01452 -0.00124 -0.00063 0.00468 0.00312 154 3PX -0.00056 -0.00026 -0.00029 -0.00126 0.00099 155 3PY -0.00284 -0.00055 -0.00016 0.00151 0.00103 156 3PZ -0.00075 -0.00013 0.00003 -0.00147 -0.00011 157 4XX -0.00637 0.00004 0.00003 -0.00007 -0.00004 158 4YY -0.00596 0.00006 0.00004 -0.00014 -0.00029 159 4ZZ -0.00622 0.00007 0.00006 -0.00006 -0.00017 160 4XY 0.00010 0.00000 0.00000 0.00010 0.00003 161 4XZ 0.00008 -0.00003 -0.00002 -0.00007 -0.00010 162 4YZ 0.00010 0.00000 -0.00001 0.00009 -0.00003 163 17 H 1S -0.00026 0.00000 0.00001 -0.00016 -0.00005 164 2S 0.00116 -0.00009 0.00004 -0.00020 0.00014 165 18 C 1S 0.00987 -0.00053 -0.00044 -0.00086 -0.00299 166 2S 0.00009 -0.00016 -0.00021 -0.00032 -0.00026 167 2PX 0.00005 -0.00015 -0.00011 0.00003 -0.00003 168 2PY 0.00000 -0.00007 0.00002 -0.00001 -0.00006 169 2PZ 0.00005 0.00000 0.00000 0.00005 0.00020 170 3S 0.00431 0.00084 0.00177 0.00046 -0.00057 171 3PX -0.00044 0.00024 0.00048 -0.00021 0.00001 172 3PY -0.00019 0.00009 0.00064 0.00002 0.00021 173 3PZ -0.00211 -0.00036 -0.00023 -0.00047 0.00016 174 4XX -0.00021 -0.00013 -0.00012 -0.00004 -0.00007 175 4YY -0.00014 -0.00006 -0.00004 0.00001 -0.00008 176 4ZZ -0.00023 -0.00007 -0.00007 0.00006 -0.00012 177 4XY -0.00003 -0.00002 0.00003 -0.00006 0.00005 178 4XZ -0.00007 -0.00001 0.00000 0.00011 -0.00001 179 4YZ -0.00016 -0.00002 -0.00003 -0.00001 0.00007 180 19 H 1S -0.00010 -0.00008 -0.00012 -0.00002 0.00009 181 2S 0.00033 0.00010 0.00006 0.00031 -0.00001 182 20 C 1S 0.70256 -0.00008 0.00005 -0.01004 -0.00002 183 2S 0.03537 0.00015 -0.00007 -0.00057 -0.00066 184 2PX 0.00020 0.00004 -0.00003 0.00005 -0.00007 185 2PY -0.00037 -0.00002 0.00000 -0.00001 0.00015 186 2PZ 0.00004 0.00000 0.00005 0.00002 -0.00004 187 3S -0.01454 -0.00124 0.00063 0.00468 0.00311 188 3PX -0.00056 -0.00026 0.00029 -0.00126 0.00099 189 3PY 0.00284 0.00055 -0.00016 -0.00151 -0.00103 190 3PZ -0.00075 -0.00013 -0.00003 -0.00147 -0.00011 191 4XX -0.00638 0.00004 -0.00003 -0.00007 -0.00004 192 4YY -0.00596 0.00006 -0.00004 -0.00014 -0.00029 193 4ZZ -0.00623 0.00007 -0.00006 -0.00006 -0.00017 194 4XY -0.00010 0.00000 0.00000 -0.00010 -0.00003 195 4XZ 0.00008 -0.00003 0.00002 -0.00007 -0.00010 196 4YZ -0.00010 0.00000 -0.00001 -0.00009 0.00003 197 21 H 1S -0.00026 0.00000 -0.00001 -0.00016 -0.00005 198 2S 0.00116 -0.00009 -0.00004 -0.00020 0.00014 199 22 C 1S 0.00988 -0.00053 0.00044 -0.00086 -0.00299 200 2S 0.00009 -0.00016 0.00021 -0.00032 -0.00026 201 2PX 0.00005 -0.00015 0.00011 0.00003 -0.00003 202 2PY 0.00000 0.00007 0.00002 0.00001 0.00006 203 2PZ 0.00005 0.00000 0.00000 0.00005 0.00020 204 3S 0.00433 0.00084 -0.00177 0.00046 -0.00057 205 3PX -0.00044 0.00024 -0.00048 -0.00021 0.00001 206 3PY 0.00019 -0.00009 0.00064 -0.00002 -0.00021 207 3PZ -0.00211 -0.00036 0.00023 -0.00047 0.00016 208 4XX -0.00021 -0.00013 0.00012 -0.00004 -0.00007 209 4YY -0.00014 -0.00006 0.00004 0.00001 -0.00008 210 4ZZ -0.00023 -0.00007 0.00007 0.00006 -0.00012 211 4XY 0.00003 0.00002 0.00003 0.00006 -0.00005 212 4XZ -0.00007 -0.00001 0.00000 0.00011 -0.00001 213 4YZ 0.00016 0.00002 -0.00003 0.00001 -0.00007 214 23 H 1S -0.00010 -0.00008 0.00012 -0.00002 0.00009 215 2S 0.00034 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 -1.03152 -1.02943 1 1 C 1S 0.70254 0.00289 0.00109 -0.01824 -0.01166 2 2S 0.03683 -0.00002 -0.00007 0.03639 0.02295 3 2PX -0.00015 0.00004 -0.00002 0.01421 0.01064 4 2PY -0.00025 0.00009 -0.00002 0.00859 0.01822 5 2PZ 0.00040 -0.00018 -0.00015 0.01051 0.00779 6 3S -0.02851 0.00036 0.00058 0.00859 -0.03309 7 3PX -0.00239 0.00010 0.00035 -0.00586 -0.00253 8 3PY 0.00522 -0.00037 -0.00064 0.01088 0.02761 9 3PZ -0.00580 0.00059 0.00075 -0.00898 -0.01119 10 4XX -0.00617 -0.00016 -0.00010 0.00082 0.00117 11 4YY -0.00575 -0.00014 -0.00008 0.00245 0.00134 12 4ZZ -0.00598 -0.00016 -0.00010 0.00038 0.00039 13 4XY -0.00001 0.00002 0.00004 0.00296 0.00323 14 4XZ 0.00001 -0.00002 0.00001 0.00214 0.00217 15 4YZ 0.00005 0.00003 -0.00003 0.00171 0.00227 16 2 C 1S -0.70244 0.00289 -0.00109 -0.01825 0.01166 17 2S -0.03683 -0.00002 0.00007 0.03639 -0.02294 18 2PX 0.00015 0.00004 0.00002 0.01421 -0.01063 19 2PY -0.00025 -0.00009 -0.00002 -0.00859 0.01822 20 2PZ -0.00040 -0.00018 0.00015 0.01051 -0.00779 21 3S 0.02851 0.00036 -0.00058 0.00858 0.03309 22 3PX 0.00239 0.00010 -0.00035 -0.00586 0.00253 23 3PY 0.00522 0.00037 -0.00064 -0.01088 0.02761 24 3PZ 0.00580 0.00059 -0.00075 -0.00898 0.01119 25 4XX 0.00617 -0.00016 0.00010 0.00082 -0.00117 26 4YY 0.00575 -0.00014 0.00008 0.00245 -0.00134 27 4ZZ 0.00598 -0.00016 0.00010 0.00038 -0.00039 28 4XY -0.00001 -0.00002 0.00004 -0.00296 0.00323 29 4XZ -0.00001 -0.00002 -0.00001 0.00214 -0.00217 30 4YZ 0.00005 -0.00003 -0.00003 -0.00171 0.00227 31 3 C 1S 0.00175 0.00001 0.00001 -0.08712 0.08526 32 2S 0.00064 -0.00004 0.00022 0.16815 -0.16221 33 2PX 0.00005 0.00010 -0.00013 0.01641 -0.01682 34 2PY 0.00003 -0.00006 0.00012 -0.11641 0.12445 35 2PZ -0.00007 -0.00008 0.00010 -0.00991 0.01050 36 3S -0.00836 0.00052 -0.00060 0.05890 -0.05477 37 3PX 0.00321 -0.00010 0.00045 -0.00608 0.00740 38 3PY -0.00597 -0.00079 0.00002 0.04338 -0.06083 39 3PZ 0.00168 0.00019 -0.00031 0.00308 -0.00573 40 4XX 0.00014 -0.00007 0.00016 -0.01293 0.01337 41 4YY 0.00015 -0.00010 0.00022 0.01441 -0.01299 42 4ZZ 0.00025 -0.00005 0.00015 -0.01322 0.01376 43 4XY -0.00002 0.00002 -0.00002 -0.00428 0.00423 44 4XZ 0.00009 0.00002 -0.00005 0.00040 -0.00017 45 4YZ -0.00012 -0.00002 0.00002 0.00293 -0.00283 46 4 C 1S -0.00009 0.00046 -0.00035 -0.01941 0.01206 47 2S -0.00017 -0.00004 0.00012 0.03836 -0.02279 48 2PX -0.00004 0.00012 -0.00011 -0.01060 0.00760 49 2PY -0.00005 -0.00004 -0.00001 -0.00866 0.01938 50 2PZ -0.00007 -0.00003 -0.00003 -0.01468 0.01077 51 3S 0.00553 0.00021 -0.00114 0.01424 0.03277 52 3PX -0.00149 -0.00025 0.00032 0.00771 -0.00913 53 3PY 0.00341 0.00024 -0.00064 -0.01322 0.02918 54 3PZ -0.00130 -0.00008 0.00026 0.00726 -0.00608 55 4XX -0.00003 -0.00011 0.00012 -0.00023 0.00010 56 4YY 0.00001 -0.00008 0.00006 0.00247 -0.00157 57 4ZZ -0.00002 -0.00009 0.00009 0.00099 -0.00126 58 4XY 0.00003 0.00001 0.00003 0.00184 -0.00236 59 4XZ 0.00002 -0.00001 -0.00001 0.00227 -0.00221 60 4YZ -0.00003 0.00002 -0.00004 0.00266 -0.00320 61 5 C 1S 0.00009 0.00046 0.00035 -0.01941 -0.01206 62 2S 0.00017 -0.00004 -0.00012 0.03836 0.02280 63 2PX 0.00004 0.00012 0.00011 -0.01060 -0.00760 64 2PY -0.00005 0.00004 -0.00001 0.00865 0.01938 65 2PZ 0.00007 -0.00003 0.00003 -0.01468 -0.01077 66 3S -0.00553 0.00021 0.00114 0.01424 -0.03277 67 3PX 0.00149 -0.00025 -0.00032 0.00771 0.00913 68 3PY 0.00341 -0.00024 -0.00064 0.01322 0.02918 69 3PZ 0.00130 -0.00008 -0.00026 0.00726 0.00609 70 4XX 0.00003 -0.00011 -0.00012 -0.00023 -0.00010 71 4YY -0.00001 -0.00008 -0.00006 0.00246 0.00157 72 4ZZ 0.00002 -0.00009 -0.00009 0.00099 0.00126 73 4XY 0.00003 -0.00001 0.00003 -0.00183 -0.00236 74 4XZ -0.00002 -0.00001 0.00001 0.00227 0.00221 75 4YZ -0.00003 -0.00002 -0.00004 -0.00266 -0.00320 76 6 C 1S -0.00175 0.00001 -0.00001 -0.08710 -0.08527 77 2S -0.00064 -0.00004 -0.00022 0.16812 0.16224 78 2PX -0.00005 0.00010 0.00013 0.01640 0.01682 79 2PY 0.00003 0.00006 0.00012 0.11639 0.12447 80 2PZ 0.00007 -0.00008 -0.00010 -0.00991 -0.01050 81 3S 0.00836 0.00052 0.00060 0.05889 0.05478 82 3PX -0.00321 -0.00010 -0.00045 -0.00608 -0.00740 83 3PY -0.00597 0.00079 0.00002 -0.04337 -0.06084 84 3PZ -0.00168 0.00019 0.00031 0.00308 0.00573 85 4XX -0.00015 -0.00007 -0.00016 -0.01293 -0.01337 86 4YY -0.00015 -0.00010 -0.00022 0.01440 0.01300 87 4ZZ -0.00025 -0.00005 -0.00015 -0.01322 -0.01376 88 4XY -0.00002 -0.00002 -0.00002 0.00428 0.00423 89 4XZ -0.00009 0.00002 0.00005 0.00040 0.00017 90 4YZ -0.00012 0.00002 0.00002 -0.00293 -0.00283 91 7 H 1S -0.00001 0.00006 0.00006 0.00624 0.00526 92 2S 0.00038 0.00032 0.00053 -0.00447 -0.00321 93 8 H 1S 0.00001 0.00006 -0.00006 0.00624 -0.00526 94 2S -0.00038 0.00032 -0.00053 -0.00447 0.00321 95 9 H 1S 0.00013 0.00005 -0.00003 0.00627 -0.00519 96 2S 0.00072 0.00005 -0.00016 -0.00647 0.00381 97 10 H 1S -0.00013 0.00005 0.00003 0.00627 0.00519 98 2S -0.00072 0.00005 0.00016 -0.00647 -0.00381 99 11 O 1S 0.00008 0.00005 -0.00001 -0.13475 0.13749 100 2S 0.00039 0.00020 -0.00006 0.28940 -0.29232 101 2PX 0.00003 -0.00003 0.00004 -0.01486 0.01506 102 2PY 0.00001 0.00003 -0.00004 0.11031 -0.11167 103 2PZ 0.00002 0.00002 -0.00003 0.01025 -0.01039 104 3S -0.00274 -0.00118 0.00027 0.29551 -0.31691 105 3PX -0.00036 0.00016 -0.00020 -0.00612 0.00706 106 3PY -0.00043 -0.00030 0.00004 0.04432 -0.04918 107 3PZ -0.00040 -0.00014 0.00014 0.00435 -0.00465 108 4XX 0.00022 0.00013 -0.00003 -0.00710 0.00833 109 4YY 0.00020 0.00013 -0.00009 0.00619 -0.00574 110 4ZZ 0.00022 0.00013 -0.00003 -0.00735 0.00862 111 4XY -0.00004 0.00003 -0.00003 -0.00193 0.00208 112 4XZ -0.00003 0.00001 -0.00001 -0.00189 0.00203 113 4YZ -0.00007 -0.00003 0.00003 0.00126 -0.00130 114 12 O 1S -0.00008 0.00005 0.00001 -0.13473 -0.13751 115 2S -0.00039 0.00020 0.00006 0.28935 0.29236 116 2PX -0.00003 -0.00003 -0.00004 -0.01486 -0.01506 117 2PY 0.00001 -0.00003 -0.00004 -0.11029 -0.11169 118 2PZ -0.00002 0.00002 0.00003 0.01025 0.01039 119 3S 0.00274 -0.00118 -0.00027 0.29546 0.31695 120 3PX 0.00036 0.00016 0.00020 -0.00612 -0.00707 121 3PY -0.00043 0.00030 0.00004 -0.04431 -0.04918 122 3PZ 0.00040 -0.00014 -0.00014 0.00435 0.00465 123 4XX -0.00022 0.00013 0.00003 -0.00709 -0.00833 124 4YY -0.00020 0.00013 0.00009 0.00619 0.00574 125 4ZZ -0.00022 0.00013 0.00003 -0.00734 -0.00862 126 4XY -0.00004 -0.00003 -0.00003 0.00192 0.00208 127 4XZ 0.00003 0.00001 0.00001 -0.00189 -0.00203 128 4YZ -0.00007 0.00003 0.00003 -0.00125 -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 0.00368 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 0.00003 0.00000 0.00076 0.00000 145 2S 0.00000 0.00049 0.00000 -0.00092 0.00000 146 15 H 1S 0.00000 -0.00015 0.00000 0.00023 0.00000 147 2S 0.00000 -0.00005 0.00000 -0.00072 0.00000 148 16 C 1S 0.00017 -0.01009 0.00983 -0.00276 0.00154 149 2S 0.00121 -0.00064 0.00065 0.00375 -0.00103 150 2PX -0.00006 0.00003 -0.00005 0.00131 -0.00103 151 2PY 0.00015 -0.00005 0.00011 0.00058 0.00026 152 2PZ 0.00008 -0.00018 0.00005 -0.00009 -0.00003 153 3S -0.00563 0.00235 -0.00554 0.00766 -0.01195 154 3PX -0.00174 0.00022 -0.00021 0.00364 -0.00541 155 3PY -0.00240 0.00027 -0.00176 0.00343 -0.00426 156 3PZ -0.00025 0.00109 -0.00168 0.00372 -0.00502 157 4XX 0.00006 0.00006 -0.00004 -0.00016 0.00003 158 4YY 0.00024 0.00008 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 0.00118 0.70190 -0.70208 -0.00172 0.00022 166 2S 0.00024 0.03490 -0.03569 0.00433 -0.00296 167 2PX -0.00002 0.00011 -0.00008 0.00066 -0.00044 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 -0.00734 0.01843 -0.00462 0.02042 171 3PX -0.00009 0.00006 -0.00049 0.00011 -0.00002 172 3PY -0.00043 0.00033 0.00416 -0.00005 0.00557 173 3PZ -0.00087 0.00126 -0.00366 0.00293 -0.00771 174 4XX 0.00007 -0.00673 0.00647 0.00021 -0.00053 175 4YY 0.00006 -0.00676 0.00611 0.00017 0.00007 176 4ZZ 0.00008 -0.00660 0.00629 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 -0.01009 -0.00983 -0.00276 -0.00154 183 2S -0.00121 -0.00064 -0.00065 0.00375 0.00103 184 2PX 0.00006 0.00003 0.00005 0.00131 0.00103 185 2PY 0.00015 0.00005 0.00011 -0.00058 0.00026 186 2PZ -0.00008 -0.00018 -0.00005 -0.00009 0.00003 187 3S 0.00563 0.00235 0.00554 0.00766 0.01195 188 3PX 0.00174 0.00022 0.00021 0.00364 0.00541 189 3PY -0.00240 -0.00027 -0.00176 -0.00343 -0.00426 190 3PZ 0.00025 0.00109 0.00168 0.00372 0.00502 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 0.00290 199 22 C 1S -0.00118 0.70176 0.70222 -0.00172 -0.00022 200 2S -0.00024 0.03490 0.03570 0.00433 0.00296 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 -0.00034 -0.00145 -0.00058 204 3S -0.00129 -0.00734 -0.01843 -0.00462 -0.02042 205 3PX 0.00009 0.00006 0.00049 0.00011 0.00002 206 3PY -0.00043 -0.00034 0.00416 0.00005 0.00557 207 3PZ 0.00087 0.00126 0.00366 0.00293 0.00771 208 4XX -0.00007 -0.00673 -0.00647 0.00021 0.00053 209 4YY -0.00006 -0.00676 -0.00612 0.00017 -0.00007 210 4ZZ -0.00008 -0.00659 -0.00629 0.00009 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 -0.00029 0.00061 0.00027 215 2S -0.00005 0.00111 0.00039 0.00025 -0.00067 16 17 18 19 20 O O O O O Eigenvalues -- -0.88968 -0.83371 -0.76996 -0.72882 -0.72786 1 1 C 1S -0.03587 -0.07983 -0.11492 0.02602 -0.03757 2 2S 0.06786 0.15076 0.22172 -0.05127 0.06885 3 2PX -0.00695 0.03421 0.00456 -0.02021 0.00250 4 2PY -0.01791 -0.04109 -0.05965 0.01218 0.04207 5 2PZ 0.01091 0.02093 -0.01248 -0.00675 0.01445 6 3S 0.04577 0.10840 0.18607 -0.04689 0.09694 7 3PX -0.00218 0.00161 -0.00402 -0.00942 0.00185 8 3PY -0.00152 -0.00480 -0.00307 -0.00133 -0.00059 9 3PZ 0.00139 0.00334 -0.00336 -0.00353 0.01645 10 4XX -0.00121 -0.00442 -0.00793 0.00308 -0.00022 11 4YY 0.00073 0.00173 0.00508 -0.00144 -0.00453 12 4ZZ -0.00097 -0.00323 -0.00517 0.00014 0.00059 13 4XY 0.00017 -0.00056 -0.00012 0.00007 0.00016 14 4XZ 0.00059 0.00549 0.00395 -0.00139 0.00203 15 4YZ -0.00089 -0.00126 -0.00213 0.00012 0.00039 16 2 C 1S -0.03587 -0.07983 -0.11492 0.02601 0.03757 17 2S 0.06786 0.15076 0.22172 -0.05126 -0.06887 18 2PX -0.00695 0.03421 0.00456 -0.02021 -0.00251 19 2PY 0.01791 0.04109 0.05965 -0.01219 0.04207 20 2PZ 0.01091 0.02093 -0.01248 -0.00675 -0.01446 21 3S 0.04577 0.10840 0.18607 -0.04686 -0.09695 22 3PX -0.00218 0.00161 -0.00402 -0.00942 -0.00186 23 3PY 0.00152 0.00480 0.00307 0.00133 -0.00059 24 3PZ 0.00139 0.00334 -0.00336 -0.00353 -0.01645 25 4XX -0.00121 -0.00442 -0.00793 0.00308 0.00022 26 4YY 0.00073 0.00173 0.00508 -0.00144 0.00453 27 4ZZ -0.00097 -0.00323 -0.00517 0.00014 -0.00059 28 4XY -0.00017 0.00056 0.00012 -0.00007 0.00016 29 4XZ 0.00059 0.00549 0.00395 -0.00139 -0.00203 30 4YZ 0.00089 0.00126 0.00213 -0.00012 0.00039 31 3 C 1S -0.00832 -0.04856 -0.00655 0.00747 0.02721 32 2S 0.01661 0.09496 0.01405 -0.01600 -0.05791 33 2PX -0.01295 -0.00480 -0.07197 0.02331 0.02683 34 2PY 0.03223 0.12615 0.01112 -0.01302 -0.04931 35 2PZ -0.00099 0.01719 -0.07319 0.01846 0.00407 36 3S 0.00842 0.06472 0.00799 -0.00682 -0.03411 37 3PX -0.00026 -0.00242 -0.00461 0.00114 -0.00267 38 3PY 0.00680 0.03460 -0.00108 0.00032 0.00240 39 3PZ 0.00050 0.00386 -0.00668 -0.00120 -0.00412 40 4XX 0.00170 0.00136 0.00076 -0.00004 -0.00183 41 4YY -0.00167 -0.00552 -0.00074 0.00073 0.00471 42 4ZZ 0.00108 0.00238 -0.00075 0.00024 -0.00107 43 4XY -0.00050 0.00192 -0.00667 0.00173 0.00000 44 4XZ 0.00151 0.00754 0.00079 0.00009 -0.00282 45 4YZ -0.00057 0.00066 -0.00711 0.00172 0.00066 46 4 C 1S -0.01315 -0.10977 0.10154 -0.02533 0.01448 47 2S 0.02471 0.21196 -0.19953 0.05087 -0.02817 48 2PX -0.00641 -0.02389 -0.01118 0.01092 0.01101 49 2PY 0.00822 0.06447 -0.06333 0.01814 0.01717 50 2PZ -0.00494 -0.02839 -0.01005 0.00744 0.01036 51 3S 0.01562 0.14133 -0.15586 0.04096 -0.03706 52 3PX -0.00126 -0.00142 -0.00501 0.00414 0.00446 53 3PY 0.00083 0.00491 0.00037 -0.00082 -0.00857 54 3PZ -0.00016 -0.00148 -0.00516 0.00247 0.00117 55 4XX -0.00027 -0.00628 0.00686 -0.00228 -0.00058 56 4YY 0.00017 0.00375 -0.00560 0.00174 0.00182 57 4ZZ -0.00060 -0.00466 0.00595 -0.00163 -0.00047 58 4XY -0.00024 -0.00123 0.00129 -0.00031 -0.00076 59 4XZ 0.00098 0.00687 -0.00351 0.00073 -0.00208 60 4YZ -0.00027 -0.00142 0.00131 -0.00046 -0.00053 61 5 C 1S -0.01315 -0.10977 0.10154 -0.02533 -0.01449 62 2S 0.02471 0.21196 -0.19953 0.05086 0.02818 63 2PX -0.00641 -0.02389 -0.01118 0.01092 -0.01101 64 2PY -0.00822 -0.06447 0.06333 -0.01814 0.01716 65 2PZ -0.00494 -0.02839 -0.01005 0.00744 -0.01035 66 3S 0.01562 0.14133 -0.15586 0.04095 0.03707 67 3PX -0.00126 -0.00142 -0.00501 0.00414 -0.00446 68 3PY -0.00083 -0.00491 -0.00037 0.00082 -0.00857 69 3PZ -0.00016 -0.00148 -0.00516 0.00247 -0.00117 70 4XX -0.00027 -0.00628 0.00686 -0.00228 0.00058 71 4YY 0.00017 0.00375 -0.00560 0.00174 -0.00182 72 4ZZ -0.00060 -0.00466 0.00595 -0.00163 0.00047 73 4XY 0.00024 0.00123 -0.00129 0.00031 -0.00076 74 4XZ 0.00098 0.00687 -0.00351 0.00073 0.00208 75 4YZ 0.00027 0.00142 -0.00131 0.00046 -0.00053 76 6 C 1S -0.00832 -0.04856 -0.00655 0.00748 -0.02721 77 2S 0.01661 0.09496 0.01405 -0.01601 0.05790 78 2PX -0.01295 -0.00479 -0.07197 0.02332 -0.02682 79 2PY -0.03223 -0.12615 -0.01112 0.01303 -0.04931 80 2PZ -0.00099 0.01719 -0.07319 0.01847 -0.00406 81 3S 0.00842 0.06472 0.00799 -0.00683 0.03411 82 3PX -0.00026 -0.00242 -0.00461 0.00114 0.00267 83 3PY -0.00680 -0.03460 0.00108 -0.00032 0.00240 84 3PZ 0.00050 0.00386 -0.00668 -0.00120 0.00412 85 4XX 0.00170 0.00136 0.00076 -0.00004 0.00183 86 4YY -0.00167 -0.00552 -0.00074 0.00073 -0.00471 87 4ZZ 0.00108 0.00238 -0.00075 0.00024 0.00107 88 4XY 0.00050 -0.00192 0.00667 -0.00173 0.00000 89 4XZ 0.00151 0.00754 0.00079 0.00009 0.00282 90 4YZ 0.00057 -0.00066 0.00711 -0.00172 0.00066 91 7 H 1S 0.01578 0.03087 0.06606 -0.00920 0.02926 92 2S 0.00130 0.00136 0.00989 0.00063 0.01138 93 8 H 1S 0.01578 0.03087 0.06606 -0.00920 -0.02926 94 2S 0.00130 0.00136 0.00989 0.00063 -0.01138 95 9 H 1S 0.00389 0.04402 -0.05765 0.01759 -0.00860 96 2S -0.00008 0.00249 -0.00791 0.00315 -0.00287 97 10 H 1S 0.00389 0.04402 -0.05765 0.01758 0.00860 98 2S -0.00008 0.00249 -0.00791 0.00315 0.00287 99 11 O 1S 0.01449 0.04500 0.00398 -0.00407 -0.02165 100 2S -0.03327 -0.10319 -0.00840 0.00913 0.04814 101 2PX -0.00060 0.00417 -0.01544 0.00538 0.00671 102 2PY -0.00744 -0.01319 -0.00056 -0.00061 -0.00274 103 2PZ -0.00131 -0.00006 -0.01650 0.00440 0.00190 104 3S -0.02724 -0.08975 -0.01212 0.01101 0.06151 105 3PX -0.00113 0.00046 -0.00605 0.00258 0.00479 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 0.00030 -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 0.01449 0.04500 0.00398 -0.00407 0.02165 115 2S -0.03327 -0.10319 -0.00840 0.00914 -0.04814 116 2PX -0.00060 0.00417 -0.01544 0.00538 -0.00671 117 2PY 0.00744 0.01319 0.00056 0.00061 -0.00274 118 2PZ -0.00131 -0.00006 -0.01650 0.00440 -0.00190 119 3S -0.02724 -0.08975 -0.01212 0.01102 -0.06151 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 0.00221 -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 -0.09308 0.02436 -0.01226 -0.14468 -0.00002 130 2S 0.17389 -0.04481 0.02499 0.28274 0.00003 131 2PX 0.03935 -0.00313 0.00964 -0.00892 0.00000 132 2PY 0.00000 0.00000 0.00000 -0.00001 0.10429 133 2PZ 0.05384 -0.01905 -0.01862 -0.00821 0.00000 134 3S 0.11464 -0.04100 0.01525 0.26814 0.00003 135 3PX -0.00166 0.00074 0.00421 -0.00446 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.01785 137 3PZ 0.00918 -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 0.00000 140 4ZZ 0.00259 -0.00100 -0.00104 -0.00015 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00767 142 4XZ 0.00501 -0.00147 -0.00139 -0.00226 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00954 144 14 H 1S 0.03662 -0.00721 0.01701 0.10037 0.00001 145 2S 0.00428 0.00022 0.00761 0.02264 0.00000 146 15 H 1S 0.04288 -0.01423 0.00322 0.09857 0.00001 147 2S -0.00120 -0.00049 0.00237 0.02374 0.00000 148 16 C 1S -0.09520 0.02225 0.00309 -0.02963 0.12225 149 2S 0.17681 -0.04252 -0.00700 0.05888 -0.24014 150 2PX -0.00500 0.01163 0.00576 -0.06349 -0.00529 151 2PY 0.06919 -0.01822 -0.00578 0.03151 0.01536 152 2PZ 0.03151 -0.01605 -0.03780 -0.10106 -0.05001 153 3S 0.13382 -0.02759 0.00094 0.04556 -0.22513 154 3PX 0.00297 0.00050 0.00208 -0.01248 -0.00095 155 3PY 0.02128 -0.00217 0.00078 -0.00099 -0.00117 156 3PZ 0.00345 -0.00202 -0.00714 -0.01813 -0.00741 157 4XX -0.00836 0.00302 0.00189 -0.00015 0.00878 158 4YY 0.00516 -0.00153 0.00002 0.00629 0.00168 159 4ZZ -0.00093 -0.00021 -0.00183 -0.00674 0.00024 160 4XY -0.00145 0.00108 0.00013 -0.00657 -0.00091 161 4XZ 0.00405 -0.00153 -0.00157 0.00139 -0.00383 162 4YZ 0.00293 -0.00135 -0.00304 -0.00898 -0.00403 163 17 H 1S 0.03229 -0.00719 0.00285 0.02148 -0.08548 164 2S 0.00481 -0.00096 0.00153 0.00348 -0.02214 165 18 C 1S -0.09637 0.02923 0.04103 0.10149 0.07547 166 2S 0.18363 -0.05530 -0.07957 -0.20055 -0.15142 167 2PX -0.01586 0.01048 0.00334 -0.02096 0.01337 168 2PY 0.04706 -0.01552 -0.02456 -0.06281 0.08646 169 2PZ -0.06365 0.01444 0.00099 -0.02752 0.06501 170 3S 0.10608 -0.03834 -0.06061 -0.16208 -0.09823 171 3PX 0.00039 0.00122 0.00036 -0.00782 -0.00540 172 3PY 0.00193 -0.00146 -0.00386 -0.00442 0.02849 173 3PZ -0.00040 0.00236 0.00048 -0.01050 -0.00906 174 4XX -0.00909 0.00361 0.00364 0.00929 0.00516 175 4YY 0.00264 -0.00076 -0.00191 -0.00596 0.00870 176 4ZZ 0.00269 -0.00009 0.00147 0.00504 -0.00740 177 4XY -0.00112 0.00059 0.00062 0.00093 -0.00004 178 4XZ 0.00477 -0.00205 -0.00188 -0.00091 -0.00481 179 4YZ -0.00284 0.00082 0.00128 0.00292 -0.00341 180 19 H 1S 0.03089 -0.01003 -0.02169 -0.06662 -0.05081 181 2S -0.00184 -0.00036 -0.00539 -0.01427 -0.00533 182 20 C 1S -0.09520 0.02225 0.00309 -0.02960 -0.12226 183 2S 0.17681 -0.04252 -0.00700 0.05882 0.24015 184 2PX -0.00500 0.01163 0.00576 -0.06349 0.00528 185 2PY -0.06919 0.01822 0.00578 -0.03151 0.01536 186 2PZ 0.03151 -0.01605 -0.03780 -0.10108 0.04998 187 3S 0.13382 -0.02759 0.00094 0.04551 0.22515 188 3PX 0.00297 0.00050 0.00208 -0.01248 0.00094 189 3PY -0.02128 0.00217 -0.00078 0.00099 -0.00117 190 3PZ 0.00345 -0.00202 -0.00714 -0.01813 0.00741 191 4XX -0.00836 0.00302 0.00189 -0.00015 -0.00878 192 4YY 0.00516 -0.00153 0.00002 0.00629 -0.00168 193 4ZZ -0.00093 -0.00021 -0.00183 -0.00674 -0.00025 194 4XY 0.00145 -0.00108 -0.00013 0.00657 -0.00090 195 4XZ 0.00405 -0.00153 -0.00157 0.00139 0.00383 196 4YZ -0.00293 0.00135 0.00304 0.00898 -0.00403 197 21 H 1S 0.03229 -0.00719 0.00285 0.02146 0.08549 198 2S 0.00481 -0.00096 0.00153 0.00347 0.02214 199 22 C 1S -0.09637 0.02923 0.04103 0.10151 -0.07545 200 2S 0.18363 -0.05530 -0.07957 -0.20059 0.15137 201 2PX -0.01586 0.01048 0.00334 -0.02095 -0.01337 202 2PY -0.04706 0.01552 0.02456 0.06279 0.08647 203 2PZ -0.06365 0.01444 0.00099 -0.02750 -0.06502 204 3S 0.10608 -0.03834 -0.06061 -0.16210 0.09819 205 3PX 0.00039 0.00122 0.00036 -0.00782 0.00540 206 3PY -0.00193 0.00146 0.00386 0.00442 0.02849 207 3PZ -0.00040 0.00236 0.00048 -0.01051 0.00906 208 4XX -0.00909 0.00361 0.00364 0.00929 -0.00515 209 4YY 0.00264 -0.00076 -0.00191 -0.00596 -0.00870 210 4ZZ 0.00269 -0.00009 0.00147 0.00503 0.00740 211 4XY 0.00112 -0.00059 -0.00062 -0.00093 -0.00004 212 4XZ 0.00477 -0.00205 -0.00188 -0.00091 0.00481 213 4YZ 0.00284 -0.00082 -0.00128 -0.00292 -0.00341 214 23 H 1S 0.03089 -0.01003 -0.02169 -0.06663 0.05079 215 2S -0.00184 -0.00036 -0.00539 -0.01427 0.00533 21 22 23 24 25 O O O O O Eigenvalues -- -0.68577 -0.62325 -0.58489 -0.57991 -0.54924 1 1 C 1S 0.06434 -0.08297 0.04039 -0.01132 0.00699 2 2S -0.12672 0.16612 -0.08184 0.02504 -0.01647 3 2PX -0.04952 0.01526 0.11609 0.01027 -0.02908 4 2PY -0.07442 0.10940 0.07708 -0.03449 -0.01087 5 2PZ -0.02880 -0.01491 0.12845 -0.03193 -0.01386 6 3S -0.12958 0.17666 -0.08621 0.00984 -0.00908 7 3PX -0.00303 0.00489 0.03902 -0.00116 -0.01684 8 3PY -0.00339 0.04550 0.01382 -0.01266 -0.00634 9 3PZ -0.00123 -0.00415 0.04074 -0.01729 -0.00039 10 4XX -0.00003 -0.00294 0.00722 -0.00160 0.00136 11 4YY 0.00762 -0.00644 -0.00484 0.00126 0.00037 12 4ZZ -0.00177 0.00098 0.00091 -0.00107 -0.00068 13 4XY -0.00375 0.00166 0.00182 -0.00006 -0.00261 14 4XZ -0.00753 0.00502 0.00350 0.00153 -0.00138 15 4YZ -0.00081 -0.00319 0.00352 -0.00097 -0.00114 16 2 C 1S -0.06434 0.08297 0.04039 -0.01132 -0.00699 17 2S 0.12672 -0.16612 -0.08184 0.02504 0.01647 18 2PX 0.04953 -0.01526 0.11609 0.01027 0.02908 19 2PY -0.07442 0.10940 -0.07708 0.03449 -0.01087 20 2PZ 0.02880 0.01491 0.12845 -0.03193 0.01386 21 3S 0.12958 -0.17666 -0.08621 0.00984 0.00908 22 3PX 0.00303 -0.00489 0.03901 -0.00116 0.01684 23 3PY -0.00339 0.04550 -0.01382 0.01266 -0.00634 24 3PZ 0.00123 0.00415 0.04074 -0.01729 0.00039 25 4XX 0.00003 0.00294 0.00722 -0.00160 -0.00136 26 4YY -0.00762 0.00644 -0.00484 0.00126 -0.00037 27 4ZZ 0.00177 -0.00098 0.00091 -0.00107 0.00068 28 4XY -0.00374 0.00166 -0.00182 0.00006 -0.00261 29 4XZ 0.00753 -0.00502 0.00350 0.00153 0.00138 30 4YZ -0.00081 -0.00319 -0.00352 0.00097 -0.00114 31 3 C 1S -0.08912 0.00006 -0.08336 0.00494 -0.01110 32 2S 0.18805 -0.00075 0.18285 -0.01203 0.02320 33 2PX -0.01144 0.14027 -0.00390 0.01390 -0.03022 34 2PY 0.14373 0.00380 0.09932 -0.00195 0.00978 35 2PZ 0.01969 0.14874 0.01868 -0.00742 -0.02647 36 3S 0.15404 0.00400 0.14523 -0.00444 0.02823 37 3PX -0.00425 0.01208 -0.00532 -0.00035 -0.00716 38 3PY 0.03082 0.00317 0.03678 0.00819 0.00462 39 3PZ 0.00449 0.01632 0.00521 -0.00823 0.00021 40 4XX 0.00101 -0.00069 -0.00477 -0.00103 -0.00105 41 4YY -0.01256 -0.00016 -0.00760 0.00119 -0.00069 42 4ZZ 0.00222 0.00118 -0.00515 0.00074 -0.00090 43 4XY 0.00131 0.00469 0.00067 -0.00074 -0.00079 44 4XZ 0.00978 0.00016 0.00092 0.00026 -0.00064 45 4YZ -0.00004 0.00481 0.00007 -0.00054 -0.00061 46 4 C 1S -0.07119 -0.08239 0.03995 -0.00006 0.01509 47 2S 0.14246 0.16774 -0.08176 -0.00079 -0.03138 48 2PX -0.03305 0.00341 -0.12366 0.00430 -0.01248 49 2PY -0.09104 -0.11759 -0.09551 0.00337 0.02298 50 2PZ -0.03937 -0.00127 -0.14086 0.00260 -0.00978 51 3S 0.13818 0.15878 -0.07637 0.00373 -0.03249 52 3PX -0.00265 0.00278 -0.03905 0.00092 -0.00264 53 3PY -0.00929 -0.05493 -0.01748 -0.00232 0.01382 54 3PZ -0.00193 0.00040 -0.04543 0.00172 -0.00037 55 4XX -0.00003 -0.00206 0.00408 -0.00039 0.00077 56 4YY -0.00715 -0.00523 -0.00495 0.00006 0.00057 57 4ZZ 0.00192 -0.00031 0.00529 -0.00004 0.00028 58 4XY 0.00181 -0.00160 0.00294 -0.00023 0.00142 59 4XZ 0.00855 0.00639 0.00213 -0.00041 -0.00111 60 4YZ 0.00219 -0.00116 0.00326 -0.00004 0.00115 61 5 C 1S 0.07119 0.08239 0.03995 -0.00006 -0.01509 62 2S -0.14246 -0.16774 -0.08176 -0.00079 0.03138 63 2PX 0.03306 -0.00341 -0.12366 0.00430 0.01247 64 2PY -0.09104 -0.11759 0.09551 -0.00337 0.02298 65 2PZ 0.03937 0.00127 -0.14086 0.00260 0.00978 66 3S -0.13818 -0.15878 -0.07637 0.00372 0.03249 67 3PX 0.00265 -0.00278 -0.03905 0.00092 0.00264 68 3PY -0.00929 -0.05493 0.01748 0.00232 0.01382 69 3PZ 0.00193 -0.00040 -0.04543 0.00172 0.00037 70 4XX 0.00003 0.00206 0.00408 -0.00039 -0.00077 71 4YY 0.00715 0.00523 -0.00495 0.00006 -0.00057 72 4ZZ -0.00192 0.00031 0.00529 -0.00004 -0.00028 73 4XY 0.00181 -0.00160 -0.00294 0.00023 0.00142 74 4XZ -0.00855 -0.00639 0.00213 -0.00041 0.00111 75 4YZ 0.00219 -0.00116 -0.00326 0.00004 0.00115 76 6 C 1S 0.08912 -0.00006 -0.08336 0.00494 0.01110 77 2S -0.18805 0.00076 0.18285 -0.01203 -0.02320 78 2PX 0.01144 -0.14027 -0.00390 0.01390 0.03022 79 2PY 0.14373 0.00380 -0.09932 0.00195 0.00978 80 2PZ -0.01969 -0.14874 0.01868 -0.00742 0.02647 81 3S -0.15405 -0.00400 0.14523 -0.00444 -0.02823 82 3PX 0.00425 -0.01208 -0.00532 -0.00035 0.00716 83 3PY 0.03082 0.00317 -0.03678 -0.00819 0.00462 84 3PZ -0.00449 -0.01632 0.00521 -0.00823 -0.00021 85 4XX -0.00101 0.00069 -0.00477 -0.00103 0.00105 86 4YY 0.01256 0.00016 -0.00760 0.00119 0.00069 87 4ZZ -0.00222 -0.00118 -0.00515 0.00074 0.00090 88 4XY 0.00131 0.00469 -0.00067 0.00074 -0.00079 89 4XZ -0.00978 -0.00016 0.00092 0.00026 0.00064 90 4YZ -0.00004 0.00481 -0.00007 0.00054 -0.00061 91 7 H 1S -0.04407 0.09181 -0.08188 0.01201 0.00471 92 2S -0.00871 0.03386 -0.03959 0.00600 0.00786 93 8 H 1S 0.04407 -0.09181 -0.08188 0.01201 -0.00472 94 2S 0.00871 -0.03386 -0.03959 0.00600 -0.00786 95 9 H 1S 0.05316 0.09316 -0.08258 0.00068 -0.02652 96 2S 0.01233 0.03293 -0.03917 0.00014 -0.01339 97 10 H 1S -0.05316 -0.09316 -0.08258 0.00068 0.02651 98 2S -0.01234 -0.03293 -0.03917 0.00014 0.01339 99 11 O 1S 0.05773 0.00121 0.03811 -0.00461 0.00426 100 2S -0.12983 -0.00293 -0.08740 0.00961 -0.00916 101 2PX -0.00043 0.05064 -0.00444 0.00892 -0.01357 102 2PY 0.02696 0.00269 0.05916 -0.00379 0.00947 103 2PZ 0.00465 0.05461 0.00891 -0.00350 -0.01062 104 3S -0.16043 -0.00284 -0.11106 0.01938 -0.01536 105 3PX 0.00019 0.02682 -0.00222 0.00580 -0.00670 106 3PY 0.01677 0.00133 0.03648 -0.00048 0.00483 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 -0.00461 -0.00426 115 2S 0.12983 0.00292 -0.08740 0.00961 0.00916 116 2PX 0.00043 -0.05064 -0.00444 0.00892 0.01357 117 2PY 0.02696 0.00269 -0.05917 0.00379 0.00947 118 2PZ -0.00465 -0.05461 0.00891 -0.00350 0.01062 119 3S 0.16043 0.00284 -0.11106 0.01938 0.01536 120 3PX -0.00019 -0.02682 -0.00222 0.00580 0.00670 121 3PY 0.01677 0.00133 -0.03648 0.00048 0.00483 122 3PZ -0.00209 -0.02881 0.00517 -0.00039 0.00623 123 4XX -0.00079 0.00128 -0.00081 -0.00089 -0.00013 124 4YY -0.00655 -0.00036 0.00805 -0.00065 -0.00116 125 4ZZ -0.00106 -0.00091 -0.00071 -0.00026 0.00010 126 4XY -0.00060 0.00538 0.00097 -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 -0.02378 -0.08581 0.00000 130 2S 0.00000 0.00000 0.04925 0.17289 0.00000 131 2PX 0.00000 0.00000 -0.04721 -0.09890 0.00000 132 2PY 0.03994 -0.00176 0.00000 0.00000 0.16972 133 2PZ 0.00000 0.00000 0.02020 -0.09311 0.00000 134 3S 0.00000 0.00000 0.05540 0.19446 0.00000 135 3PX 0.00000 0.00000 -0.02693 -0.03589 0.00000 136 3PY 0.00999 0.00207 0.00000 0.00000 0.06253 137 3PZ 0.00000 0.00000 0.00797 -0.03350 0.00000 138 4XX 0.00000 0.00000 0.00062 0.00268 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 0.00000 0.00706 142 4XZ 0.00000 0.00000 -0.00046 -0.00701 0.00000 143 4YZ 0.00410 -0.00165 0.00000 0.00000 0.00576 144 14 H 1S 0.00000 0.00000 0.00400 0.11501 0.00000 145 2S 0.00000 0.00000 -0.00645 0.05566 0.00000 146 15 H 1S 0.00000 0.00000 0.04348 0.10587 0.00000 147 2S 0.00000 0.00000 0.01575 0.04888 0.00000 148 16 C 1S 0.04339 -0.00953 0.00435 0.09085 0.05961 149 2S -0.08713 0.02261 -0.00780 -0.18577 -0.12369 150 2PX 0.01227 -0.00984 -0.02219 -0.03118 0.07536 151 2PY 0.00532 0.00387 0.01325 0.10125 0.04930 152 2PZ -0.02959 0.03812 0.00819 -0.04050 0.15158 153 3S -0.08218 0.01267 -0.01127 -0.19241 -0.12229 154 3PX 0.00340 -0.00979 -0.00819 -0.01144 0.02508 155 3PY 0.00144 -0.00334 0.00086 0.03733 0.02567 156 3PZ -0.00836 0.01065 0.00378 -0.00248 0.05179 157 4XX 0.00463 -0.00188 0.00155 0.00878 0.00287 158 4YY 0.00010 -0.00005 0.00053 -0.00387 -0.00794 159 4ZZ -0.00062 0.00187 -0.00093 0.00729 0.01140 160 4XY -0.00049 0.00019 -0.00254 -0.00587 0.00019 161 4XZ -0.00208 0.00194 0.00161 0.00123 0.00032 162 4YZ -0.00158 0.00060 -0.00004 -0.00541 0.00006 163 17 H 1S -0.03141 0.00204 -0.00920 -0.11853 -0.10280 164 2S -0.00981 -0.00381 -0.00744 -0.05260 -0.05139 165 18 C 1S 0.03120 -0.02463 0.00327 -0.04302 -0.09111 166 2S -0.06326 0.05030 -0.00735 0.08804 0.18735 167 2PX 0.01072 -0.00331 -0.00558 0.03400 0.03276 168 2PY 0.03676 -0.03047 0.00212 0.12161 -0.11977 169 2PZ 0.02288 -0.00424 -0.00381 0.14820 0.06193 170 3S -0.04282 0.04632 -0.00444 0.08627 0.17966 171 3PX -0.00087 0.00166 -0.00238 0.00959 0.01773 172 3PY 0.01222 -0.00962 0.00118 0.02843 -0.04761 173 3PZ -0.00548 0.00142 -0.00287 0.04569 0.03780 174 4XX 0.00248 -0.00135 0.00100 -0.00268 -0.00580 175 4YY 0.00349 -0.00237 -0.00040 0.00505 -0.00772 176 4ZZ -0.00264 0.00129 -0.00032 -0.00746 0.00195 177 4XY -0.00049 -0.00025 -0.00030 -0.00198 -0.00473 178 4XZ -0.00254 0.00173 0.00033 0.00050 0.00345 179 4YZ -0.00086 -0.00075 -0.00020 -0.00534 -0.01007 180 19 H 1S -0.02265 0.02647 -0.00527 0.06186 0.14773 181 2S -0.00295 0.01098 -0.00230 0.02854 0.07147 182 20 C 1S -0.04339 0.00953 0.00435 0.09085 -0.05961 183 2S 0.08713 -0.02261 -0.00780 -0.18577 0.12369 184 2PX -0.01227 0.00984 -0.02219 -0.03118 -0.07536 185 2PY 0.00532 0.00387 -0.01325 -0.10125 0.04930 186 2PZ 0.02959 -0.03812 0.00819 -0.04050 -0.15158 187 3S 0.08218 -0.01267 -0.01127 -0.19241 0.12229 188 3PX -0.00340 0.00979 -0.00819 -0.01144 -0.02508 189 3PY 0.00144 -0.00334 -0.00086 -0.03733 0.02567 190 3PZ 0.00836 -0.01065 0.00378 -0.00248 -0.05179 191 4XX -0.00463 0.00188 0.00155 0.00878 -0.00287 192 4YY -0.00010 0.00005 0.00053 -0.00387 0.00794 193 4ZZ 0.00062 -0.00187 -0.00093 0.00729 -0.01140 194 4XY -0.00049 0.00019 0.00254 0.00587 0.00019 195 4XZ 0.00208 -0.00194 0.00161 0.00123 -0.00032 196 4YZ -0.00158 0.00060 0.00004 0.00541 0.00006 197 21 H 1S 0.03141 -0.00204 -0.00920 -0.11853 0.10280 198 2S 0.00981 0.00381 -0.00744 -0.05260 0.05139 199 22 C 1S -0.03120 0.02463 0.00327 -0.04302 0.09111 200 2S 0.06326 -0.05030 -0.00735 0.08804 -0.18735 201 2PX -0.01072 0.00331 -0.00558 0.03400 -0.03276 202 2PY 0.03676 -0.03047 -0.00212 -0.12161 -0.11978 203 2PZ -0.02288 0.00424 -0.00381 0.14820 -0.06193 204 3S 0.04282 -0.04632 -0.00444 0.08627 -0.17966 205 3PX 0.00087 -0.00166 -0.00238 0.00959 -0.01773 206 3PY 0.01222 -0.00962 -0.00118 -0.02843 -0.04761 207 3PZ 0.00548 -0.00142 -0.00287 0.04569 -0.03781 208 4XX -0.00248 0.00135 0.00100 -0.00268 0.00580 209 4YY -0.00349 0.00237 -0.00040 0.00505 0.00772 210 4ZZ 0.00264 -0.00129 -0.00032 -0.00746 -0.00195 211 4XY -0.00049 -0.00025 0.00030 0.00198 -0.00473 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 -0.02647 -0.00527 0.06186 -0.14773 215 2S 0.00295 -0.01098 -0.00230 0.02854 -0.07147 26 27 28 29 30 O O O O O Eigenvalues -- -0.53778 -0.49216 -0.48232 -0.46759 -0.46721 1 1 C 1S 0.00501 0.00077 -0.00306 0.02168 0.04459 2 2S -0.01116 -0.00164 0.00394 -0.04771 -0.08788 3 2PX -0.00062 0.10359 -0.02186 -0.05411 0.08314 4 2PY 0.05707 0.11807 -0.21396 0.12971 -0.05755 5 2PZ -0.01274 0.04410 0.06618 0.09289 0.12628 6 3S -0.00802 0.01422 -0.00684 -0.05066 -0.16155 7 3PX -0.00472 0.04615 -0.00554 -0.03718 0.01976 8 3PY 0.01790 0.04975 -0.07591 0.03501 -0.00418 9 3PZ -0.00558 0.01688 0.03683 0.04284 0.02482 10 4XX 0.00094 0.00084 -0.00196 0.00464 0.00472 11 4YY -0.00082 -0.00077 0.00184 -0.00362 0.00360 12 4ZZ 0.00141 -0.00074 -0.00555 0.00344 -0.00374 13 4XY -0.00103 0.00073 -0.00276 0.00412 0.00761 14 4XZ 0.00140 0.00219 -0.00290 -0.00129 -0.00123 15 4YZ 0.00096 0.00096 -0.00130 0.00029 0.01264 16 2 C 1S 0.00500 0.00077 -0.00306 0.02171 -0.04457 17 2S -0.01116 -0.00164 0.00394 -0.04778 0.08785 18 2PX -0.00062 0.10359 -0.02187 -0.05405 -0.08318 19 2PY -0.05707 -0.11807 0.21396 -0.12967 -0.05764 20 2PZ -0.01274 0.04410 0.06618 0.09298 -0.12622 21 3S -0.00802 0.01422 -0.00684 -0.05078 0.16152 22 3PX -0.00472 0.04615 -0.00554 -0.03717 -0.01979 23 3PY -0.01790 -0.04975 0.07590 -0.03500 -0.00421 24 3PZ -0.00558 0.01688 0.03683 0.04286 -0.02479 25 4XX 0.00094 0.00084 -0.00196 0.00465 -0.00471 26 4YY -0.00082 -0.00077 0.00184 -0.00361 -0.00360 27 4ZZ 0.00141 -0.00074 -0.00555 0.00344 0.00375 28 4XY 0.00103 -0.00073 0.00276 -0.00412 0.00761 29 4XZ 0.00140 0.00219 -0.00290 -0.00129 0.00123 30 4YZ -0.00096 -0.00096 0.00130 -0.00029 0.01264 31 3 C 1S -0.00731 0.01534 0.04348 -0.00995 0.07106 32 2S 0.01466 -0.03703 -0.10295 0.02276 -0.15788 33 2PX -0.01676 -0.14520 0.04513 -0.11101 -0.00367 34 2PY -0.00316 0.02772 0.09095 -0.02422 0.00516 35 2PZ -0.00343 -0.17737 0.07923 -0.00450 -0.00531 36 3S 0.02391 -0.03852 -0.10466 0.02871 -0.18759 37 3PX -0.00656 -0.02673 0.00459 -0.04648 0.00676 38 3PY -0.00162 0.01565 0.02370 -0.00491 -0.06741 39 3PZ 0.00138 -0.04169 0.01408 0.00205 -0.01397 40 4XX 0.00011 -0.00115 0.00042 0.00051 0.00835 41 4YY -0.00233 0.00513 0.01182 -0.00075 0.00115 42 4ZZ 0.00030 -0.00063 -0.00155 -0.00209 0.01032 43 4XY 0.00131 0.00211 -0.00065 0.00223 0.00049 44 4XZ 0.00048 -0.00190 -0.00477 -0.00085 0.00402 45 4YZ 0.00026 0.00261 0.00116 0.00304 -0.00075 46 4 C 1S 0.00058 -0.00942 -0.00307 -0.00255 -0.04318 47 2S -0.00175 0.01930 0.00385 0.00471 0.08600 48 2PX -0.00431 0.02613 -0.10387 -0.03166 0.10293 49 2PY -0.00467 0.27548 0.12717 0.08279 -0.06119 50 2PZ 0.00379 0.03245 -0.10156 0.03206 0.11655 51 3S -0.00137 -0.01326 0.01219 0.00440 0.15469 52 3PX -0.00181 0.01075 -0.04720 -0.01604 0.01155 53 3PY -0.00023 0.09081 0.03080 0.02450 -0.01380 54 3PZ 0.00356 0.01229 -0.04584 0.01861 0.01918 55 4XX 0.00038 -0.00388 -0.00285 0.00128 -0.00051 56 4YY -0.00029 0.00246 0.00085 0.00098 -0.00281 57 4ZZ -0.00005 -0.00452 -0.00431 -0.00368 -0.00079 58 4XY 0.00017 -0.00155 -0.00064 -0.00026 -0.01095 59 4XZ -0.00018 -0.00399 -0.00324 -0.00130 0.00327 60 4YZ 0.00014 -0.00229 -0.00022 0.00060 -0.01239 61 5 C 1S 0.00058 -0.00942 -0.00307 -0.00258 0.04318 62 2S -0.00175 0.01930 0.00385 0.00477 -0.08600 63 2PX -0.00431 0.02613 -0.10387 -0.03159 -0.10295 64 2PY 0.00467 -0.27548 -0.12717 -0.08275 -0.06124 65 2PZ 0.00379 0.03245 -0.10156 0.03215 -0.11652 66 3S -0.00137 -0.01327 0.01219 0.00451 -0.15469 67 3PX -0.00181 0.01075 -0.04720 -0.01603 -0.01157 68 3PY 0.00023 -0.09081 -0.03081 -0.02449 -0.01381 69 3PZ 0.00356 0.01229 -0.04584 0.01862 -0.01917 70 4XX 0.00038 -0.00388 -0.00285 0.00128 0.00051 71 4YY -0.00029 0.00246 0.00085 0.00098 0.00281 72 4ZZ -0.00005 -0.00452 -0.00431 -0.00368 0.00079 73 4XY -0.00017 0.00155 0.00064 0.00027 -0.01095 74 4XZ -0.00018 -0.00399 -0.00324 -0.00130 -0.00327 75 4YZ -0.00014 0.00229 0.00022 -0.00059 -0.01239 76 6 C 1S -0.00730 0.01534 0.04348 -0.00990 -0.07107 77 2S 0.01466 -0.03703 -0.10295 0.02264 0.15789 78 2PX -0.01675 -0.14520 0.04513 -0.11101 0.00360 79 2PY 0.00316 -0.02772 -0.09095 0.02422 0.00517 80 2PZ -0.00343 -0.17737 0.07923 -0.00450 0.00531 81 3S 0.02391 -0.03851 -0.10466 0.02857 0.18762 82 3PX -0.00656 -0.02673 0.00459 -0.04647 -0.00680 83 3PY 0.00162 -0.01565 -0.02370 0.00496 -0.06741 84 3PZ 0.00138 -0.04169 0.01408 0.00204 0.01397 85 4XX 0.00011 -0.00115 0.00042 0.00051 -0.00835 86 4YY -0.00233 0.00513 0.01182 -0.00075 -0.00115 87 4ZZ 0.00030 -0.00063 -0.00155 -0.00209 -0.01032 88 4XY -0.00131 -0.00211 0.00065 -0.00223 0.00049 89 4XZ 0.00048 -0.00190 -0.00477 -0.00085 -0.00402 90 4YZ -0.00026 -0.00261 -0.00116 -0.00304 -0.00076 91 7 H 1S 0.01863 -0.00868 -0.07991 -0.01259 -0.13983 92 2S 0.01464 -0.00318 -0.04451 0.00268 -0.10572 93 8 H 1S 0.01863 -0.00868 -0.07991 -0.01269 0.13982 94 2S 0.01464 -0.00318 -0.04451 0.00260 0.10572 95 9 H 1S 0.00050 -0.05252 -0.10262 -0.02252 0.14437 96 2S -0.00026 -0.03726 -0.06273 -0.02111 0.11216 97 10 H 1S 0.00050 -0.05252 -0.10262 -0.02242 -0.14439 98 2S -0.00026 -0.03726 -0.06273 -0.02103 -0.11217 99 11 O 1S 0.00817 -0.02106 -0.05647 0.00805 -0.03709 100 2S -0.01797 0.04380 0.11856 -0.01692 0.08269 101 2PX -0.01524 -0.07661 0.05366 -0.08355 0.02124 102 2PY 0.01252 -0.06277 -0.18105 0.02178 -0.16081 103 2PZ -0.00084 -0.11423 0.02351 -0.00307 -0.01696 104 3S -0.03083 0.09107 0.23561 -0.03314 0.12123 105 3PX -0.00899 -0.04739 0.02853 -0.04729 0.01188 106 3PY 0.00442 -0.02848 -0.08581 0.01053 -0.09214 107 3PZ -0.00060 -0.06598 0.01636 -0.00298 -0.00838 108 4XX 0.00077 0.00062 -0.00278 0.00177 0.00144 109 4YY 0.00123 -0.00619 -0.01653 0.00130 -0.01298 110 4ZZ 0.00019 -0.00260 -0.00175 -0.00005 0.00176 111 4XY -0.00123 -0.00630 0.00513 -0.00662 0.00221 112 4XZ 0.00002 -0.00004 -0.00177 -0.00055 0.00059 113 4YZ -0.00001 -0.00984 0.00174 0.00009 -0.00165 114 12 O 1S 0.00817 -0.02106 -0.05647 0.00802 0.03709 115 2S -0.01797 0.04380 0.11856 -0.01686 -0.08270 116 2PX -0.01524 -0.07661 0.05366 -0.08353 -0.02130 117 2PY -0.01252 0.06277 0.18105 -0.02167 -0.16082 118 2PZ -0.00084 -0.11423 0.02351 -0.00308 0.01696 119 3S -0.03083 0.09107 0.23561 -0.03306 -0.12126 120 3PX -0.00899 -0.04739 0.02853 -0.04728 -0.01191 121 3PY -0.00442 0.02848 0.08581 -0.01046 -0.09214 122 3PZ -0.00060 -0.06598 0.01636 -0.00299 0.00838 123 4XX 0.00077 0.00062 -0.00278 0.00177 -0.00144 124 4YY 0.00123 -0.00619 -0.01653 0.00129 0.01299 125 4ZZ 0.00019 -0.00260 -0.00175 -0.00005 -0.00176 126 4XY 0.00123 0.00630 -0.00513 0.00662 0.00222 127 4XZ 0.00002 -0.00004 -0.00177 -0.00055 -0.00059 128 4YZ 0.00001 0.00984 -0.00174 -0.00009 -0.00165 129 13 C 1S -0.01046 -0.00603 -0.00019 -0.00736 0.00000 130 2S 0.02191 0.01015 -0.00109 0.02083 0.00001 131 2PX -0.09234 -0.10260 0.03645 0.23808 0.00009 132 2PY 0.00000 0.00000 0.00000 -0.00001 0.02306 133 2PZ -0.15107 0.06866 -0.04606 -0.18494 -0.00007 134 3S 0.03210 0.03478 0.00436 0.00003 0.00000 135 3PX -0.02987 -0.04979 0.02294 0.09071 0.00003 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00811 137 3PZ -0.06000 0.04160 -0.03195 -0.09985 -0.00004 138 4XX -0.00022 0.00313 -0.00119 -0.00887 0.00000 139 4YY 0.00430 -0.00064 0.00078 -0.00021 0.00000 140 4ZZ -0.00022 -0.00169 -0.00024 0.00692 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 -0.00026 142 4XZ -0.00873 -0.00189 0.00020 0.00650 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00258 144 14 H 1S 0.08420 -0.03872 0.02424 0.12233 0.00004 145 2S 0.04931 -0.02724 0.00636 0.07540 0.00003 146 15 H 1S 0.03811 0.07097 -0.02666 -0.15793 -0.00006 147 2S 0.02953 0.04187 -0.01359 -0.12002 -0.00004 148 16 C 1S -0.01609 0.00339 -0.00582 0.00221 0.01302 149 2S 0.03369 -0.00557 0.01214 -0.00786 -0.02730 150 2PX -0.01319 -0.03538 0.01467 0.10167 0.02243 151 2PY -0.21295 -0.00712 -0.02200 0.05609 0.00303 152 2PZ -0.05367 0.03415 -0.01954 -0.09590 -0.01021 153 3S 0.04702 -0.01860 0.01730 0.01462 -0.04558 154 3PX -0.01053 -0.01074 0.00533 0.05411 0.01054 155 3PY -0.08244 -0.01198 -0.00148 0.03495 0.00041 156 3PZ -0.01960 0.01543 -0.00048 -0.04001 -0.01766 157 4XX 0.00119 0.00170 -0.00068 -0.00124 0.00077 158 4YY -0.00084 -0.00061 0.00044 0.00162 -0.00112 159 4ZZ 0.00197 -0.00085 -0.00026 0.00106 0.00202 160 4XY 0.00161 -0.00297 0.00279 0.00489 -0.00016 161 4XZ 0.00199 0.00001 0.00116 0.00158 -0.00176 162 4YZ -0.00333 0.00265 -0.00238 -0.00476 -0.00076 163 17 H 1S 0.12335 -0.00069 0.01680 -0.02678 -0.01470 164 2S 0.06604 0.00214 0.01470 -0.01106 -0.00389 165 18 C 1S -0.01559 -0.00045 0.00255 0.00141 -0.00933 166 2S 0.03081 0.00124 -0.00561 -0.00340 0.01771 167 2PX 0.05961 -0.03087 0.02950 0.09286 0.01522 168 2PY -0.13797 0.00141 -0.03490 0.06210 -0.01447 169 2PZ 0.16998 -0.01001 0.02029 0.00114 0.03360 170 3S 0.05628 -0.00023 -0.00635 -0.00572 0.03739 171 3PX 0.01905 -0.01534 0.01468 0.04628 0.00036 172 3PY -0.04273 0.00309 -0.01119 0.01860 -0.00682 173 3PZ 0.05206 -0.00272 0.00848 -0.00151 -0.00092 174 4XX 0.00021 0.00085 0.00034 -0.00210 -0.00101 175 4YY 0.00225 -0.00007 -0.00043 0.00061 -0.00018 176 4ZZ 0.00039 -0.00110 0.00136 0.00104 0.00043 177 4XY 0.00037 -0.00064 0.00107 0.00243 -0.00138 178 4XZ 0.00139 0.00152 -0.00091 -0.00523 0.00039 179 4YZ 0.00394 0.00043 0.00002 -0.00214 -0.00309 180 19 H 1S 0.12698 -0.00946 0.02169 -0.00555 0.03304 181 2S 0.07749 -0.00736 0.01473 -0.00465 0.02783 182 20 C 1S -0.01609 0.00339 -0.00582 0.00222 -0.01302 183 2S 0.03369 -0.00557 0.01214 -0.00788 0.02730 184 2PX -0.01319 -0.03538 0.01467 0.10169 -0.02236 185 2PY 0.21296 0.00712 0.02200 -0.05608 0.00299 186 2PZ -0.05367 0.03415 -0.01954 -0.09591 0.01014 187 3S 0.04702 -0.01860 0.01730 0.01459 0.04560 188 3PX -0.01053 -0.01074 0.00533 0.05412 -0.01050 189 3PY 0.08245 0.01198 0.00148 -0.03495 0.00038 190 3PZ -0.01960 0.01543 -0.00048 -0.04002 0.01763 191 4XX 0.00119 0.00170 -0.00068 -0.00124 -0.00077 192 4YY -0.00084 -0.00061 0.00044 0.00162 0.00112 193 4ZZ 0.00197 -0.00085 -0.00026 0.00106 -0.00202 194 4XY -0.00161 0.00297 -0.00279 -0.00489 -0.00016 195 4XZ 0.00199 0.00001 0.00116 0.00158 0.00176 196 4YZ 0.00333 -0.00265 0.00238 0.00476 -0.00076 197 21 H 1S 0.12335 -0.00069 0.01681 -0.02679 0.01468 198 2S 0.06604 0.00214 0.01470 -0.01106 0.00388 199 22 C 1S -0.01559 -0.00045 0.00255 0.00140 0.00933 200 2S 0.03080 0.00124 -0.00561 -0.00339 -0.01772 201 2PX 0.05961 -0.03087 0.02950 0.09288 -0.01515 202 2PY 0.13797 -0.00141 0.03490 -0.06209 -0.01451 203 2PZ 0.16998 -0.01001 0.02028 0.00117 -0.03359 204 3S 0.05628 -0.00023 -0.00635 -0.00569 -0.03739 205 3PX 0.01905 -0.01534 0.01468 0.04628 -0.00032 206 3PY 0.04273 -0.00309 0.01119 -0.01859 -0.00684 207 3PZ 0.05206 -0.00272 0.00848 -0.00151 0.00092 208 4XX 0.00021 0.00085 0.00034 -0.00210 0.00101 209 4YY 0.00225 -0.00007 -0.00043 0.00061 0.00018 210 4ZZ 0.00039 -0.00110 0.00136 0.00104 -0.00043 211 4XY -0.00037 0.00064 -0.00107 -0.00242 -0.00138 212 4XZ 0.00139 0.00152 -0.00091 -0.00523 -0.00039 213 4YZ -0.00394 -0.00043 -0.00002 0.00214 -0.00309 214 23 H 1S 0.12698 -0.00946 0.02169 -0.00552 -0.03304 215 2S 0.07749 -0.00736 0.01473 -0.00463 -0.02783 31 32 33 34 35 O O O O O Eigenvalues -- -0.44677 -0.41700 -0.40750 -0.40696 -0.40006 1 1 C 1S -0.01832 -0.00502 0.00583 -0.00392 0.00211 2 2S 0.03788 0.00821 -0.00709 0.00572 -0.00734 3 2PX 0.06693 0.06520 0.00991 -0.12050 0.02012 4 2PY -0.11802 -0.01069 -0.00658 0.06468 0.11735 5 2PZ 0.20371 0.10311 0.02543 -0.05496 -0.01357 6 3S 0.08494 0.08066 -0.04275 0.00220 0.00657 7 3PX 0.03040 0.04275 -0.00314 -0.06064 0.02319 8 3PY -0.01789 -0.04197 0.01119 0.01509 0.03411 9 3PZ 0.09102 0.07073 0.00253 -0.01679 0.01111 10 4XX -0.00369 0.00211 0.00082 -0.00781 0.00020 11 4YY 0.00367 -0.00475 0.00041 -0.00054 -0.00431 12 4ZZ -0.00674 0.00003 0.00025 0.00937 0.00493 13 4XY 0.00185 0.00249 -0.00103 -0.00025 -0.00286 14 4XZ -0.00282 0.00231 0.00113 0.00193 0.00452 15 4YZ 0.00217 0.00636 0.00252 -0.00076 -0.00061 16 2 C 1S -0.01832 0.00502 -0.00583 -0.00391 0.00211 17 2S 0.03788 -0.00821 0.00709 0.00572 -0.00734 18 2PX 0.06693 -0.06520 -0.00995 -0.12049 0.02012 19 2PY 0.11802 -0.01069 -0.00660 -0.06467 -0.11735 20 2PZ 0.20371 -0.10311 -0.02545 -0.05496 -0.01357 21 3S 0.08494 -0.08066 0.04275 0.00219 0.00657 22 3PX 0.03040 -0.04275 0.00313 -0.06064 0.02319 23 3PY 0.01789 -0.04197 0.01119 -0.01509 -0.03411 24 3PZ 0.09102 -0.07073 -0.00254 -0.01679 0.01111 25 4XX -0.00369 -0.00211 -0.00082 -0.00781 0.00020 26 4YY 0.00367 0.00475 -0.00041 -0.00054 -0.00431 27 4ZZ -0.00674 -0.00003 -0.00025 0.00937 0.00493 28 4XY -0.00185 0.00249 -0.00103 0.00025 0.00286 29 4XZ -0.00282 -0.00231 -0.00113 0.00193 0.00452 30 4YZ -0.00217 0.00636 0.00252 0.00076 0.00061 31 3 C 1S 0.00506 -0.00549 0.00360 0.00285 0.00757 32 2S -0.01139 0.01412 -0.00637 -0.00541 -0.01786 33 2PX -0.13940 0.05794 0.02309 -0.09694 -0.03647 34 2PY 0.00889 -0.25214 -0.05081 -0.04554 0.13697 35 2PZ -0.00559 -0.03640 -0.04362 0.17504 0.04413 36 3S -0.01389 0.00211 -0.02870 -0.01017 -0.01441 37 3PX -0.02279 0.00887 0.01093 -0.07743 -0.00919 38 3PY -0.01551 0.01115 -0.00796 -0.02396 -0.01808 39 3PZ 0.04180 -0.01019 -0.01891 0.07297 0.01606 40 4XX 0.00138 -0.00570 -0.00053 -0.00284 0.00531 41 4YY 0.00071 0.00023 -0.00091 0.00189 -0.00687 42 4ZZ -0.00052 -0.00497 -0.00039 0.00206 0.00744 43 4XY -0.00632 -0.00128 -0.00197 0.00690 0.00233 44 4XZ -0.00020 -0.00116 -0.00007 0.00113 0.00443 45 4YZ -0.00742 0.00083 0.00119 -0.00077 -0.00179 46 4 C 1S 0.01320 0.00504 -0.00227 -0.00905 0.00166 47 2S -0.03042 -0.00954 0.00441 0.02021 -0.00630 48 2PX 0.08358 0.07322 0.03915 -0.15424 -0.02474 49 2PY -0.12389 -0.00882 -0.00596 0.04583 -0.13165 50 2PZ 0.18157 0.06796 0.02966 0.02605 0.00742 51 3S -0.05607 -0.07907 0.00431 0.04232 0.01109 52 3PX 0.02326 0.05305 0.01995 -0.07759 -0.02668 53 3PY -0.01335 -0.04667 -0.00627 -0.00011 -0.03338 54 3PZ 0.07488 0.04859 0.00874 0.02209 -0.01155 55 4XX 0.00712 -0.00228 -0.00089 0.00202 0.00362 56 4YY -0.00326 0.00515 0.00093 0.00264 -0.00404 57 4ZZ 0.00193 -0.00082 0.00059 -0.00728 0.00242 58 4XY -0.00255 -0.00442 -0.00328 -0.00046 -0.00141 59 4XZ 0.00526 -0.00226 0.00017 -0.00180 0.00441 60 4YZ -0.00161 -0.00322 -0.00206 0.00299 -0.00126 61 5 C 1S 0.01320 -0.00504 0.00227 -0.00905 0.00166 62 2S -0.03042 0.00954 -0.00440 0.02021 -0.00629 63 2PX 0.08358 -0.07322 -0.03920 -0.15423 -0.02474 64 2PY 0.12389 -0.00883 -0.00597 -0.04583 0.13165 65 2PZ 0.18157 -0.06796 -0.02966 0.02606 0.00742 66 3S -0.05607 0.07907 -0.00430 0.04232 0.01109 67 3PX 0.02326 -0.05305 -0.01997 -0.07759 -0.02668 68 3PY 0.01335 -0.04667 -0.00627 0.00011 0.03338 69 3PZ 0.07488 -0.04859 -0.00873 0.02209 -0.01155 70 4XX 0.00712 0.00228 0.00089 0.00202 0.00362 71 4YY -0.00326 -0.00515 -0.00093 0.00264 -0.00404 72 4ZZ 0.00193 0.00082 -0.00060 -0.00728 0.00242 73 4XY 0.00255 -0.00442 -0.00328 0.00046 0.00141 74 4XZ 0.00526 0.00226 -0.00017 -0.00180 0.00441 75 4YZ 0.00161 -0.00322 -0.00206 -0.00299 0.00126 76 6 C 1S 0.00506 0.00549 -0.00360 0.00286 0.00757 77 2S -0.01139 -0.01412 0.00637 -0.00541 -0.01786 78 2PX -0.13940 -0.05793 -0.02312 -0.09693 -0.03647 79 2PY -0.00889 -0.25214 -0.05079 0.04555 -0.13697 80 2PZ -0.00559 0.03639 0.04367 0.17503 0.04413 81 3S -0.01389 -0.00211 0.02869 -0.01018 -0.01441 82 3PX -0.02279 -0.00887 -0.01095 -0.07742 -0.00919 83 3PY 0.01551 0.01115 -0.00795 0.02396 0.01808 84 3PZ 0.04180 0.01018 0.01893 0.07296 0.01606 85 4XX 0.00138 0.00570 0.00053 -0.00284 0.00531 86 4YY 0.00071 -0.00023 0.00091 0.00189 -0.00687 87 4ZZ -0.00052 0.00497 0.00039 0.00206 0.00744 88 4XY 0.00632 -0.00128 -0.00197 -0.00690 -0.00233 89 4XZ -0.00020 0.00116 0.00007 0.00113 0.00443 90 4YZ 0.00742 0.00083 0.00119 0.00077 0.00179 91 7 H 1S -0.12805 -0.06466 -0.01888 0.07646 0.04418 92 2S -0.10478 -0.03590 -0.01321 0.05918 0.05662 93 8 H 1S -0.12805 0.06466 0.01890 0.07646 0.04418 94 2S -0.10477 0.03590 0.01323 0.05917 0.05662 95 9 H 1S 0.12244 0.04991 0.03206 -0.05234 0.04074 96 2S 0.10645 0.02007 0.02280 -0.04974 0.05179 97 10 H 1S 0.12244 -0.04991 -0.03208 -0.05233 0.04074 98 2S 0.10645 -0.02007 -0.02281 -0.04973 0.05179 99 11 O 1S -0.00815 0.05255 0.00804 0.00215 -0.02513 100 2S 0.01803 -0.11242 -0.01588 -0.00413 0.05112 101 2PX -0.06412 -0.02222 0.02028 -0.12602 0.00474 102 2PY -0.05180 0.32233 0.06581 -0.01725 -0.20541 103 2PZ 0.02940 0.01432 -0.03106 0.15056 0.01236 104 3S 0.02763 -0.20116 -0.03509 -0.01116 0.09886 105 3PX -0.03846 -0.01149 0.01505 -0.07369 0.00176 106 3PY -0.02909 0.17985 0.03825 -0.01166 -0.11680 107 3PZ 0.01415 0.00776 -0.02008 0.09020 0.00770 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 -0.00215 0.00103 -0.00801 0.00071 112 4XZ -0.00088 0.00082 0.00083 -0.00232 0.00024 113 4YZ 0.00082 0.00151 -0.00213 0.01103 0.00073 114 12 O 1S -0.00815 -0.05255 -0.00804 0.00215 -0.02513 115 2S 0.01804 0.11242 0.01588 -0.00414 0.05112 116 2PX -0.06412 0.02222 -0.02032 -0.12601 0.00473 117 2PY 0.05180 0.32232 0.06581 0.01723 0.20542 118 2PZ 0.02940 -0.01432 0.03110 0.15055 0.01236 119 3S 0.02764 0.20115 0.03509 -0.01117 0.09886 120 3PX -0.03846 0.01149 -0.01507 -0.07368 0.00176 121 3PY 0.02909 0.17985 0.03826 0.01165 0.11680 122 3PZ 0.01415 -0.00776 0.02011 0.09019 0.00770 123 4XX 0.00176 0.00144 0.00073 0.00187 0.00105 124 4YY -0.00451 -0.02105 -0.00524 -0.00293 -0.01296 125 4ZZ 0.00048 0.00130 0.00029 0.00211 0.00111 126 4XY 0.00592 -0.00215 0.00103 0.00801 -0.00071 127 4XZ -0.00088 -0.00082 -0.00083 -0.00232 0.00024 128 4YZ -0.00082 0.00151 -0.00213 -0.01103 -0.00073 129 13 C 1S -0.01021 0.00000 0.00000 0.00134 0.01885 130 2S 0.02008 0.00000 0.00000 -0.00712 -0.03947 131 2PX -0.07068 0.00000 -0.00002 -0.16015 -0.11359 132 2PY 0.00000 -0.00536 -0.08161 0.00001 0.00000 133 2PZ 0.01947 0.00000 0.00002 0.09139 -0.12697 134 3S 0.03925 0.00000 0.00001 0.02852 -0.09138 135 3PX -0.03508 0.00000 -0.00001 -0.06636 -0.07106 136 3PY 0.00000 -0.00567 -0.01188 0.00000 0.00000 137 3PZ -0.00350 0.00000 0.00001 0.06868 -0.04778 138 4XX 0.00515 0.00000 0.00000 0.01203 0.00033 139 4YY -0.00231 0.00000 0.00000 -0.00532 -0.00113 140 4ZZ -0.00289 0.00000 0.00000 -0.00470 0.00613 141 4XY 0.00000 0.00042 -0.00479 0.00000 0.00000 142 4XZ -0.00179 0.00000 0.00000 -0.00412 -0.00384 143 4YZ 0.00000 0.00211 -0.01068 0.00000 0.00000 144 14 H 1S -0.01329 0.00000 -0.00001 -0.06102 0.06204 145 2S -0.03005 0.00000 -0.00001 -0.03520 0.07268 146 15 H 1S 0.05627 0.00000 0.00002 0.11904 0.03204 147 2S 0.04165 0.00000 0.00002 0.10112 0.02762 148 16 C 1S 0.00518 0.00791 -0.02764 0.01397 0.00598 149 2S -0.01231 -0.01777 0.06437 -0.02760 -0.01535 150 2PX 0.01746 -0.01910 0.02940 0.02672 0.00630 151 2PY 0.00191 -0.03759 0.24756 0.02574 -0.11881 152 2PZ 0.01241 -0.04376 0.16335 0.06890 -0.00871 153 3S -0.00618 -0.02268 0.10827 -0.06555 -0.01437 154 3PX 0.01157 -0.00997 0.00266 0.01681 -0.00360 155 3PY 0.00719 -0.01422 0.09106 -0.01433 -0.03581 156 3PZ 0.01968 -0.02173 0.06024 0.02334 -0.02467 157 4XX 0.00428 -0.00020 -0.00021 0.00702 0.00062 158 4YY -0.00230 0.00275 -0.01588 -0.00601 0.00394 159 4ZZ -0.00147 -0.00007 0.00691 0.00103 -0.00060 160 4XY -0.00008 0.00024 -0.00400 -0.00261 0.00409 161 4XZ 0.00166 -0.00063 0.00142 -0.00104 -0.00037 162 4YZ -0.00182 -0.00091 0.00054 0.00048 0.01076 163 17 H 1S -0.01296 0.02360 -0.15276 -0.04592 0.07425 164 2S -0.00444 0.01648 -0.14686 -0.03734 0.07293 165 18 C 1S 0.00593 -0.00220 -0.01387 0.00453 -0.01472 166 2S -0.01526 0.00492 0.03716 -0.01521 0.03440 167 2PX 0.03234 0.01558 -0.07799 0.01457 -0.02466 168 2PY -0.05417 -0.01202 0.02029 -0.07622 0.25097 169 2PZ 0.00330 0.06840 -0.23257 -0.04236 -0.05898 170 3S -0.02052 0.00388 0.02096 0.00413 0.05283 171 3PX 0.01975 -0.00150 -0.01833 0.01054 -0.00766 172 3PY -0.01457 -0.00988 0.01377 -0.02355 0.07835 173 3PZ 0.00028 0.02076 -0.04577 -0.03061 -0.02379 174 4XX 0.00113 0.00000 -0.00027 0.00190 -0.00182 175 4YY -0.00201 0.00233 -0.01102 -0.00338 0.00687 176 4ZZ 0.00122 -0.00018 0.00406 0.00149 -0.01183 177 4XY 0.00052 -0.00128 0.00490 -0.00018 0.00237 178 4XZ -0.00107 0.00098 0.00015 -0.00001 -0.00513 179 4YZ -0.00053 -0.00480 0.01347 -0.00085 0.00580 180 19 H 1S 0.01955 0.04541 -0.12663 0.00681 -0.11762 181 2S 0.02088 0.03908 -0.12887 0.01802 -0.11145 182 20 C 1S 0.00518 -0.00791 0.02765 0.01396 0.00599 183 2S -0.01231 0.01777 -0.06438 -0.02759 -0.01535 184 2PX 0.01746 0.01910 -0.02940 0.02673 0.00630 185 2PY -0.00191 -0.03759 0.24755 -0.02582 0.11881 186 2PZ 0.01241 0.04376 -0.16333 0.06895 -0.00871 187 3S -0.00618 0.02268 -0.10829 -0.06552 -0.01437 188 3PX 0.01157 0.00997 -0.00266 0.01681 -0.00360 189 3PY -0.00719 -0.01423 0.09106 0.01430 0.03581 190 3PZ 0.01968 0.02173 -0.06024 0.02336 -0.02467 191 4XX 0.00428 0.00020 0.00021 0.00702 0.00062 192 4YY -0.00230 -0.00275 0.01588 -0.00602 0.00394 193 4ZZ -0.00147 0.00007 -0.00691 0.00103 -0.00060 194 4XY 0.00008 0.00024 -0.00400 0.00261 -0.00409 195 4XZ 0.00166 0.00063 -0.00142 -0.00104 -0.00037 196 4YZ 0.00182 -0.00091 0.00054 -0.00048 -0.01076 197 21 H 1S -0.01296 -0.02360 0.15274 -0.04596 0.07425 198 2S -0.00444 -0.01648 0.14685 -0.03739 0.07293 199 22 C 1S 0.00593 0.00220 0.01387 0.00452 -0.01472 200 2S -0.01526 -0.00492 -0.03717 -0.01520 0.03440 201 2PX 0.03234 -0.01558 0.07800 0.01455 -0.02466 202 2PY 0.05417 -0.01202 0.02032 0.07621 -0.25097 203 2PZ 0.00330 -0.06840 0.23256 -0.04243 -0.05897 204 3S -0.02052 -0.00388 -0.02096 0.00413 0.05283 205 3PX 0.01975 0.00150 0.01834 0.01054 -0.00766 206 3PY 0.01457 -0.00988 0.01378 0.02355 -0.07835 207 3PZ 0.00028 -0.02076 0.04576 -0.03062 -0.02379 208 4XX 0.00113 0.00000 0.00028 0.00190 -0.00182 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 -0.00128 0.00490 0.00017 -0.00237 212 4XZ -0.00107 -0.00098 -0.00015 -0.00001 -0.00513 213 4YZ 0.00053 -0.00480 0.01347 0.00085 -0.00580 214 23 H 1S 0.01955 -0.04541 0.12664 0.00677 -0.11762 215 2S 0.02088 -0.03908 0.12887 0.01798 -0.11145 36 37 38 39 40 O O O O O Eigenvalues -- -0.39570 -0.39320 -0.39081 -0.37876 -0.37212 1 1 C 1S -0.00226 -0.00775 -0.00843 0.01390 0.00832 2 2S 0.00413 0.01033 0.02377 -0.02398 -0.01425 3 2PX -0.02052 -0.00125 -0.02780 0.11535 0.05771 4 2PY 0.01519 -0.00338 -0.18678 -0.00898 -0.00653 5 2PZ 0.01837 -0.09539 0.03213 0.07252 0.09354 6 3S 0.02014 0.07147 0.00355 -0.06141 -0.03830 7 3PX -0.01017 0.00008 -0.02708 0.08329 0.01565 8 3PY 0.01579 -0.05493 -0.05135 0.04235 0.01531 9 3PZ 0.00960 -0.03337 -0.00329 0.03860 0.02857 10 4XX 0.00060 0.00356 -0.00499 0.00410 0.00247 11 4YY 0.00022 -0.00330 0.00760 0.00182 0.00127 12 4ZZ -0.00014 -0.00066 -0.00560 -0.00679 -0.00345 13 4XY 0.00011 -0.00073 0.00081 0.00938 0.00567 14 4XZ 0.00060 0.00212 -0.00386 -0.00080 -0.00068 15 4YZ -0.00050 -0.00989 0.00179 0.00614 0.00786 16 2 C 1S -0.00226 0.00775 -0.00843 -0.01390 -0.00832 17 2S 0.00413 -0.01033 0.02377 0.02398 0.01425 18 2PX -0.02052 0.00125 -0.02780 -0.11535 -0.05771 19 2PY -0.01519 -0.00337 0.18678 -0.00898 -0.00653 20 2PZ 0.01838 0.09539 0.03213 -0.07252 -0.09354 21 3S 0.02013 -0.07147 0.00355 0.06141 0.03830 22 3PX -0.01017 -0.00008 -0.02708 -0.08329 -0.01565 23 3PY -0.01580 -0.05493 0.05135 0.04235 0.01531 24 3PZ 0.00960 0.03337 -0.00329 -0.03860 -0.02857 25 4XX 0.00060 -0.00357 -0.00499 -0.00410 -0.00247 26 4YY 0.00022 0.00330 0.00760 -0.00182 -0.00127 27 4ZZ -0.00014 0.00066 -0.00560 0.00679 0.00345 28 4XY -0.00011 -0.00073 -0.00081 0.00938 0.00567 29 4XZ 0.00060 -0.00212 -0.00386 0.00080 0.00068 30 4YZ 0.00049 -0.00989 -0.00179 0.00614 0.00786 31 3 C 1S -0.00074 0.00398 -0.00439 0.00168 0.00440 32 2S 0.00428 -0.01103 0.01080 -0.00598 -0.01106 33 2PX -0.03373 -0.21531 0.00731 -0.00235 0.11830 34 2PY 0.00747 -0.08024 -0.16750 -0.03493 -0.00407 35 2PZ 0.03332 0.05065 0.01061 0.23105 0.06112 36 3S -0.01373 -0.00460 -0.00429 0.01634 -0.01712 37 3PX -0.01055 -0.09155 -0.01288 -0.04358 0.03978 38 3PY -0.00076 -0.01093 0.02484 0.00308 -0.00475 39 3PZ 0.01902 0.06148 0.01605 0.08393 0.01296 40 4XX -0.00012 -0.00218 -0.00728 -0.00139 0.00152 41 4YY 0.00014 0.00325 0.01008 0.00281 -0.00139 42 4ZZ 0.00085 -0.00244 -0.00910 -0.00126 -0.00001 43 4XY 0.00123 0.00748 -0.00194 0.00417 -0.00238 44 4XZ 0.00104 0.00063 -0.00477 0.00170 -0.00014 45 4YZ -0.00076 -0.00585 -0.00068 -0.00868 -0.00019 46 4 C 1S -0.00071 -0.00635 -0.00179 0.01373 0.00669 47 2S 0.00086 0.01227 0.00825 -0.02263 -0.01124 48 2PX -0.03027 0.04542 -0.00186 -0.10651 -0.04521 49 2PY -0.01060 -0.01023 0.13906 0.00795 0.00293 50 2PZ 0.01575 0.11978 0.02168 -0.06955 -0.07240 51 3S 0.00321 0.00885 -0.01609 -0.10478 -0.04159 52 3PX -0.01905 0.01753 0.01585 -0.04578 -0.01406 53 3PY -0.00263 0.01281 0.03423 -0.06428 -0.02751 54 3PZ 0.00878 0.06602 0.02808 -0.01915 -0.03728 55 4XX 0.00092 0.00391 -0.00264 0.00127 -0.00211 56 4YY -0.00020 0.00087 0.00521 0.00280 0.00137 57 4ZZ -0.00103 -0.00336 -0.00433 -0.00437 -0.00019 58 4XY -0.00035 -0.00325 0.00092 0.01100 0.00432 59 4XZ 0.00051 0.00199 -0.00435 -0.00299 -0.00226 60 4YZ 0.00045 -0.01095 0.00223 0.00702 0.00713 61 5 C 1S -0.00071 0.00635 -0.00179 -0.01373 -0.00669 62 2S 0.00086 -0.01227 0.00825 0.02263 0.01124 63 2PX -0.03028 -0.04542 -0.00186 0.10651 0.04521 64 2PY 0.01060 -0.01023 -0.13906 0.00795 0.00293 65 2PZ 0.01574 -0.11978 0.02168 0.06955 0.07240 66 3S 0.00321 -0.00885 -0.01609 0.10478 0.04159 67 3PX -0.01905 -0.01753 0.01585 0.04578 0.01406 68 3PY 0.00263 0.01281 -0.03423 -0.06428 -0.02751 69 3PZ 0.00877 -0.06603 0.02808 0.01915 0.03728 70 4XX 0.00092 -0.00391 -0.00264 -0.00127 0.00211 71 4YY -0.00020 -0.00087 0.00521 -0.00280 -0.00137 72 4ZZ -0.00103 0.00336 -0.00433 0.00437 0.00019 73 4XY 0.00035 -0.00325 -0.00092 0.01100 0.00432 74 4XZ 0.00051 -0.00199 -0.00435 0.00299 0.00226 75 4YZ -0.00045 -0.01095 -0.00223 0.00702 0.00713 76 6 C 1S -0.00074 -0.00398 -0.00439 -0.00168 -0.00440 77 2S 0.00428 0.01103 0.01080 0.00598 0.01106 78 2PX -0.03370 0.21532 0.00730 0.00235 -0.11830 79 2PY -0.00748 -0.08023 0.16751 -0.03493 -0.00407 80 2PZ 0.03332 -0.05066 0.01062 -0.23105 -0.06112 81 3S -0.01373 0.00460 -0.00429 -0.01634 0.01712 82 3PX -0.01054 0.09155 -0.01289 0.04358 -0.03978 83 3PY 0.00076 -0.01093 -0.02484 0.00309 -0.00475 84 3PZ 0.01901 -0.06148 0.01605 -0.08393 -0.01296 85 4XX -0.00012 0.00218 -0.00728 0.00139 -0.00152 86 4YY 0.00014 -0.00325 0.01008 -0.00281 0.00139 87 4ZZ 0.00085 0.00244 -0.00910 0.00126 0.00001 88 4XY -0.00123 0.00748 0.00194 0.00417 -0.00238 89 4XZ 0.00104 -0.00063 -0.00477 -0.00170 0.00014 90 4YZ 0.00075 -0.00585 0.00068 -0.00868 -0.00019 91 7 H 1S 0.00050 0.06185 -0.06257 -0.08902 -0.07933 92 2S -0.00528 0.06356 -0.06886 -0.07026 -0.07279 93 8 H 1S 0.00049 -0.06185 -0.06257 0.08902 0.07933 94 2S -0.00529 -0.06356 -0.06886 0.07026 0.07279 95 9 H 1S -0.00023 0.08197 -0.04231 -0.09570 -0.06214 96 2S 0.00204 0.06766 -0.05626 -0.08873 -0.05713 97 10 H 1S -0.00024 -0.08197 -0.04231 0.09570 0.06213 98 2S 0.00203 -0.06766 -0.05626 0.08873 0.05713 99 11 O 1S -0.00205 0.00664 0.02536 0.00063 0.00139 100 2S 0.00261 -0.01498 -0.05345 -0.00196 -0.00275 101 2PX -0.03267 -0.23293 -0.04643 -0.03927 0.11318 102 2PY -0.02284 0.00860 0.21993 -0.01617 0.01581 103 2PZ 0.02998 0.09292 0.05103 0.25262 0.05114 104 3S 0.01530 -0.02172 -0.08800 0.00289 -0.00801 105 3PX -0.02185 -0.14503 -0.02750 -0.02485 0.07079 106 3PY -0.01066 0.00302 0.12981 -0.01000 0.00821 107 3PZ 0.01798 0.05685 0.03062 0.15988 0.03102 108 4XX 0.00004 0.00355 -0.00128 0.00004 -0.00130 109 4YY -0.00223 -0.00225 0.01217 -0.00290 0.00153 110 4ZZ -0.00017 0.00037 -0.00172 0.00251 0.00060 111 4XY -0.00235 -0.01585 -0.00332 -0.00233 0.00768 112 4XZ -0.00039 -0.00231 -0.00110 -0.00263 0.00023 113 4YZ 0.00206 0.00586 0.00348 0.01689 0.00347 114 12 O 1S -0.00205 -0.00664 0.02536 -0.00063 -0.00139 115 2S 0.00261 0.01498 -0.05345 0.00195 0.00275 116 2PX -0.03264 0.23293 -0.04643 0.03927 -0.11318 117 2PY 0.02285 0.00860 -0.21993 -0.01617 0.01580 118 2PZ 0.02997 -0.09292 0.05104 -0.25262 -0.05114 119 3S 0.01531 0.02172 -0.08800 -0.00289 0.00801 120 3PX -0.02183 0.14503 -0.02750 0.02485 -0.07079 121 3PY 0.01066 0.00302 -0.12981 -0.01001 0.00821 122 3PZ 0.01798 -0.05685 0.03063 -0.15988 -0.03102 123 4XX 0.00004 -0.00355 -0.00128 -0.00004 0.00130 124 4YY -0.00223 0.00225 0.01217 0.00290 -0.00153 125 4ZZ -0.00017 -0.00037 -0.00172 -0.00251 -0.00060 126 4XY 0.00235 -0.01585 0.00332 -0.00233 0.00768 127 4XZ -0.00039 0.00231 -0.00110 0.00263 -0.00023 128 4YZ -0.00206 0.00586 -0.00348 0.01689 0.00347 129 13 C 1S -0.00244 0.00000 0.01936 0.00000 0.00000 130 2S 0.01144 0.00000 -0.04023 0.00000 0.00000 131 2PX 0.12517 -0.00001 -0.11944 0.00000 0.00000 132 2PY 0.00002 0.14692 0.00000 -0.11685 0.32385 133 2PZ 0.28991 -0.00002 -0.08565 0.00000 0.00000 134 3S 0.00733 0.00000 -0.11021 0.00000 0.00000 135 3PX 0.05733 -0.00001 -0.06972 0.00000 0.00000 136 3PY 0.00001 0.06493 0.00000 -0.06163 0.17528 137 3PZ 0.12528 -0.00001 -0.05559 0.00000 0.00000 138 4XX -0.00084 0.00000 0.00242 0.00000 0.00000 139 4YY 0.01603 0.00000 -0.00030 0.00000 0.00000 140 4ZZ -0.02091 0.00000 0.00158 0.00000 0.00000 141 4XY 0.00000 0.00267 0.00000 -0.00580 0.00774 142 4XZ 0.00067 0.00000 -0.00535 0.00000 0.00000 143 4YZ 0.00000 0.00389 0.00000 -0.00256 0.00946 144 14 H 1S -0.19432 0.00001 0.02973 0.00000 0.00000 145 2S -0.17440 0.00001 0.02748 0.00000 0.00000 146 15 H 1S -0.02855 0.00000 0.04530 0.00000 0.00000 147 2S -0.02431 0.00000 0.04786 0.00000 0.00000 148 16 C 1S -0.00987 -0.00148 0.00242 0.00167 -0.00042 149 2S 0.01767 -0.00407 -0.01283 0.00075 -0.00421 150 2PX -0.11950 0.08416 -0.00816 0.00472 0.12704 151 2PY 0.01250 -0.06568 -0.12577 0.11297 -0.17505 152 2PZ -0.22785 0.06399 -0.01611 -0.05672 0.15609 153 3S 0.05286 0.03104 0.02781 -0.03267 0.03758 154 3PX -0.04765 0.05804 -0.01416 0.00761 0.05371 155 3PY 0.00835 -0.01355 -0.01443 0.02065 -0.04644 156 3PZ -0.07676 0.04228 -0.00516 -0.04268 0.06170 157 4XX 0.00019 -0.00030 0.00026 0.00401 -0.00530 158 4YY 0.01290 0.00165 0.00387 -0.00617 0.00724 159 4ZZ -0.01279 -0.00219 -0.00230 0.00205 -0.00049 160 4XY -0.00411 0.00291 0.00486 -0.00334 0.00693 161 4XZ -0.00421 -0.00112 0.00001 0.00027 -0.00382 162 4YZ -0.00203 0.00386 0.00835 -0.00359 0.00810 163 17 H 1S 0.05784 0.02726 0.08225 -0.06834 0.08352 164 2S 0.05093 0.03673 0.08015 -0.06584 0.07957 165 18 C 1S 0.01549 0.01052 -0.01078 -0.00456 0.00792 166 2S -0.03475 -0.01895 0.02735 0.00539 -0.00792 167 2PX 0.01161 0.00162 -0.02099 0.02040 -0.02214 168 2PY 0.15115 0.01198 0.20560 0.00504 -0.00133 169 2PZ 0.20464 -0.07667 -0.02530 0.01882 -0.12813 170 3S -0.05547 -0.07406 0.02106 0.06147 -0.09175 171 3PX 0.00137 0.01217 -0.00362 0.00506 0.00139 172 3PY 0.06686 -0.00666 0.06554 0.01957 -0.04500 173 3PZ 0.08683 -0.01484 0.00333 -0.02190 -0.01836 174 4XX 0.00278 0.00056 -0.00100 -0.00005 -0.00046 175 4YY 0.00329 0.00027 0.00625 -0.00258 0.00190 176 4ZZ -0.00236 -0.00144 -0.01061 0.00231 -0.00234 177 4XY -0.00173 0.00061 0.00222 -0.00231 0.00309 178 4XZ 0.00249 -0.00357 -0.00452 0.00035 -0.00442 179 4YZ -0.00085 0.00747 0.00545 -0.00363 0.01342 180 19 H 1S 0.02882 -0.05923 -0.08948 0.02167 -0.09115 181 2S 0.03414 -0.04918 -0.09356 0.03474 -0.10370 182 20 C 1S -0.00987 0.00148 0.00242 -0.00167 0.00042 183 2S 0.01768 0.00407 -0.01283 -0.00075 0.00421 184 2PX -0.11951 -0.08414 -0.00815 -0.00472 -0.12703 185 2PY -0.01252 -0.06567 0.12577 0.11298 -0.17505 186 2PZ -0.22786 -0.06395 -0.01611 0.05672 -0.15608 187 3S 0.05286 -0.03105 0.02781 0.03268 -0.03758 188 3PX -0.04766 -0.05803 -0.01416 -0.00761 -0.05370 189 3PY -0.00836 -0.01355 0.01443 0.02065 -0.04644 190 3PZ -0.07677 -0.04227 -0.00516 0.04268 -0.06170 191 4XX 0.00019 0.00030 0.00026 -0.00401 0.00530 192 4YY 0.01290 -0.00165 0.00387 0.00617 -0.00724 193 4ZZ -0.01279 0.00219 -0.00230 -0.00205 0.00049 194 4XY 0.00411 0.00291 -0.00486 -0.00334 0.00693 195 4XZ -0.00421 0.00112 0.00001 -0.00027 0.00382 196 4YZ 0.00203 0.00386 -0.00835 -0.00359 0.00810 197 21 H 1S 0.05783 -0.02726 0.08225 0.06834 -0.08352 198 2S 0.05092 -0.03674 0.08015 0.06584 -0.07957 199 22 C 1S 0.01549 -0.01052 -0.01078 0.00456 -0.00792 200 2S -0.03474 0.01896 0.02735 -0.00539 0.00792 201 2PX 0.01161 -0.00163 -0.02099 -0.02040 0.02215 202 2PY -0.15115 0.01200 -0.20560 0.00503 -0.00132 203 2PZ 0.20464 0.07664 -0.02530 -0.01882 0.12812 204 3S -0.05546 0.07407 0.02106 -0.06147 0.09176 205 3PX 0.00136 -0.01217 -0.00362 -0.00506 -0.00139 206 3PY -0.06686 -0.00665 -0.06554 0.01957 -0.04500 207 3PZ 0.08683 0.01483 0.00333 0.02190 0.01836 208 4XX 0.00278 -0.00056 -0.00100 0.00005 0.00046 209 4YY 0.00329 -0.00027 0.00625 0.00258 -0.00190 210 4ZZ -0.00236 0.00144 -0.01061 -0.00231 0.00234 211 4XY 0.00173 0.00061 -0.00222 -0.00231 0.00309 212 4XZ 0.00249 0.00357 -0.00452 -0.00035 0.00442 213 4YZ 0.00086 0.00747 -0.00545 -0.00363 0.01342 214 23 H 1S 0.02883 0.05922 -0.08948 -0.02167 0.09115 215 2S 0.03414 0.04917 -0.09356 -0.03475 0.10370 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 0.00113 -0.00538 0.01714 0.00135 -0.02258 2 2S -0.00993 0.01227 -0.02626 -0.00003 0.04223 3 2PX -0.10178 -0.05818 0.04381 0.23205 -0.08974 4 2PY 0.04684 0.02914 -0.00934 0.03795 0.14411 5 2PZ 0.04385 0.05578 -0.15160 -0.09925 0.15425 6 3S 0.01627 0.02826 -0.16222 0.00866 0.14803 7 3PX -0.05403 -0.03566 0.05125 0.17298 -0.07543 8 3PY 0.01601 0.02079 0.04316 0.00273 0.08776 9 3PZ 0.04911 0.02263 -0.10527 -0.08212 0.11505 10 4XX 0.00109 0.00051 -0.00382 0.00280 -0.00059 11 4YY -0.00247 0.00055 0.00283 -0.00266 -0.00338 12 4ZZ 0.00189 -0.00099 0.00215 0.00105 0.00100 13 4XY 0.00248 0.00087 0.00242 -0.00866 0.00495 14 4XZ -0.00395 0.00001 0.00607 -0.00096 0.00266 15 4YZ -0.00351 -0.00022 -0.01037 0.00395 -0.00478 16 2 C 1S 0.00113 -0.00538 -0.01714 0.00135 -0.02258 17 2S -0.00993 0.01227 0.02626 -0.00003 0.04223 18 2PX -0.10178 -0.05818 -0.04383 0.23205 -0.08974 19 2PY -0.04684 -0.02914 -0.00934 -0.03795 -0.14411 20 2PZ 0.04385 0.05578 0.15161 -0.09923 0.15424 21 3S 0.01627 0.02825 0.16223 0.00867 0.14803 22 3PX -0.05403 -0.03567 -0.05127 0.17298 -0.07543 23 3PY -0.01601 -0.02079 0.04315 -0.00273 -0.08776 24 3PZ 0.04911 0.02263 0.10528 -0.08211 0.11504 25 4XX 0.00109 0.00051 0.00382 0.00280 -0.00059 26 4YY -0.00247 0.00055 -0.00283 -0.00266 -0.00338 27 4ZZ 0.00189 -0.00099 -0.00215 0.00105 0.00100 28 4XY -0.00248 -0.00087 0.00242 0.00867 -0.00495 29 4XZ -0.00395 0.00001 -0.00607 -0.00096 0.00266 30 4YZ 0.00351 0.00022 -0.01037 -0.00395 0.00478 31 3 C 1S 0.00648 -0.00003 0.00635 0.00086 -0.00234 32 2S -0.01638 -0.00175 -0.01944 -0.00748 0.01074 33 2PX 0.07317 -0.03288 -0.02590 -0.02502 -0.03920 34 2PY -0.00027 -0.00034 -0.02094 -0.00756 0.00754 35 2PZ -0.04256 0.02609 -0.04499 -0.03713 -0.02632 36 3S -0.01133 0.00560 -0.00212 0.01513 -0.01401 37 3PX 0.03882 -0.02217 0.00570 0.01912 0.03654 38 3PY -0.03026 0.00076 -0.01803 -0.00286 0.00548 39 3PZ -0.03376 0.02795 -0.00879 0.02840 0.03230 40 4XX 0.00750 0.00943 0.00883 -0.00504 0.01010 41 4YY -0.00395 0.00172 -0.00279 0.00344 -0.00450 42 4ZZ -0.00210 -0.01146 -0.00642 0.00064 -0.00497 43 4XY -0.00654 0.01267 -0.01940 -0.00740 -0.02254 44 4XZ -0.00269 0.00422 -0.00352 0.00018 0.00075 45 4YZ 0.00763 -0.01235 -0.00587 -0.02379 -0.00851 46 4 C 1S 0.00034 0.00098 0.02012 0.01397 0.01025 47 2S -0.00655 0.00039 -0.04409 -0.03361 -0.01607 48 2PX 0.03926 0.26640 0.05715 0.04239 0.01794 49 2PY 0.00003 0.01744 0.02529 0.09602 0.10385 50 2PZ -0.04158 -0.22971 0.06361 0.05864 0.06353 51 3S 0.01947 -0.01743 -0.12860 -0.08643 -0.08546 52 3PX 0.01402 0.18708 0.03317 0.02348 0.01670 53 3PY 0.00063 0.01119 -0.01976 0.04892 0.04480 54 3PZ -0.02658 -0.16201 0.02693 0.03561 0.04423 55 4XX -0.00056 -0.00100 0.00116 -0.00169 0.00001 56 4YY -0.00105 0.00067 0.00163 0.00160 0.00346 57 4ZZ 0.00038 0.00045 -0.00014 -0.00065 -0.00218 58 4XY 0.00013 0.01231 -0.00466 0.00101 -0.00035 59 4XZ -0.00164 -0.00031 -0.00086 -0.00194 -0.00070 60 4YZ -0.00003 -0.01062 -0.00393 0.00095 0.00341 61 5 C 1S 0.00034 0.00098 -0.02012 0.01397 0.01025 62 2S -0.00655 0.00039 0.04409 -0.03360 -0.01607 63 2PX 0.03926 0.26640 -0.05716 0.04238 0.01795 64 2PY -0.00003 -0.01744 0.02529 -0.09602 -0.10385 65 2PZ -0.04158 -0.22971 -0.06361 0.05864 0.06354 66 3S 0.01947 -0.01743 0.12861 -0.08642 -0.08547 67 3PX 0.01402 0.18708 -0.03317 0.02347 0.01670 68 3PY -0.00063 -0.01119 -0.01976 -0.04892 -0.04480 69 3PZ -0.02658 -0.16201 -0.02693 0.03560 0.04423 70 4XX -0.00056 -0.00100 -0.00116 -0.00169 0.00001 71 4YY -0.00105 0.00067 -0.00163 0.00160 0.00346 72 4ZZ 0.00038 0.00045 0.00014 -0.00065 -0.00218 73 4XY -0.00013 -0.01231 -0.00466 -0.00101 0.00035 74 4XZ -0.00164 -0.00031 0.00086 -0.00194 -0.00070 75 4YZ 0.00003 0.01062 -0.00393 -0.00095 -0.00341 76 6 C 1S 0.00648 -0.00003 -0.00635 0.00086 -0.00234 77 2S -0.01638 -0.00175 0.01944 -0.00748 0.01074 78 2PX 0.07317 -0.03288 0.02591 -0.02502 -0.03921 79 2PY 0.00027 0.00034 -0.02094 0.00756 -0.00754 80 2PZ -0.04256 0.02609 0.04499 -0.03713 -0.02632 81 3S -0.01133 0.00560 0.00212 0.01513 -0.01401 82 3PX 0.03882 -0.02217 -0.00570 0.01912 0.03654 83 3PY 0.03026 -0.00076 -0.01803 0.00286 -0.00548 84 3PZ -0.03376 0.02795 0.00879 0.02840 0.03230 85 4XX 0.00750 0.00943 -0.00883 -0.00504 0.01010 86 4YY -0.00395 0.00172 0.00279 0.00344 -0.00450 87 4ZZ -0.00210 -0.01146 0.00642 0.00064 -0.00498 88 4XY 0.00655 -0.01267 -0.01940 0.00739 0.02254 89 4XZ -0.00269 0.00422 0.00352 0.00018 0.00075 90 4YZ -0.00763 0.01235 -0.00587 0.02379 0.00851 91 7 H 1S 0.01026 -0.00261 0.07386 0.01148 0.01205 92 2S 0.01318 -0.01980 0.09730 -0.00429 -0.01387 93 8 H 1S 0.01026 -0.00261 -0.07386 0.01147 0.01205 94 2S 0.01318 -0.01980 -0.09730 -0.00430 -0.01386 95 9 H 1S -0.00492 -0.00160 0.03068 -0.01156 -0.01677 96 2S -0.00482 0.00130 0.05643 0.01194 -0.00022 97 10 H 1S -0.00492 -0.00160 -0.03068 -0.01156 -0.01677 98 2S -0.00482 0.00130 -0.05643 0.01194 -0.00022 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 0.13312 -0.13458 0.24231 0.10018 0.30906 102 2PY 0.02415 -0.04754 0.04030 -0.00280 0.02059 103 2PZ -0.10002 0.15720 0.05798 0.28919 0.15058 104 3S -0.03384 0.00598 -0.01802 -0.00913 0.00977 105 3PX 0.09114 -0.09734 0.17666 0.06870 0.22301 106 3PY 0.00648 -0.03139 0.02248 -0.00710 0.01979 107 3PZ -0.06857 0.11154 0.04128 0.20937 0.10350 108 4XX 0.00093 0.00230 -0.00039 -0.00067 -0.00288 109 4YY 0.00375 -0.00385 0.00324 -0.00027 0.00149 110 4ZZ 0.00087 -0.00035 0.00060 0.00296 -0.00004 111 4XY 0.00787 -0.00654 0.00927 0.00284 0.01109 112 4XZ 0.00153 -0.00151 0.00044 -0.00167 0.00069 113 4YZ -0.00557 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 0.13312 -0.13458 -0.24231 0.10015 0.30907 117 2PY -0.02415 0.04754 0.04030 0.00281 -0.02059 118 2PZ -0.10003 0.15720 -0.05800 0.28919 0.15059 119 3S -0.03384 0.00598 0.01802 -0.00913 0.00977 120 3PX 0.09114 -0.09735 -0.17666 0.06869 0.22302 121 3PY -0.00647 0.03139 0.02248 0.00710 -0.01979 122 3PZ -0.06857 0.11154 -0.04129 0.20937 0.10350 123 4XX 0.00093 0.00230 0.00039 -0.00067 -0.00288 124 4YY 0.00375 -0.00385 -0.00324 -0.00027 0.00149 125 4ZZ 0.00087 -0.00035 -0.00060 0.00296 -0.00004 126 4XY -0.00787 0.00654 0.00927 -0.00284 -0.01109 127 4XZ 0.00153 -0.00151 -0.00044 -0.00167 0.00069 128 4YZ 0.00557 -0.00750 0.00109 -0.01054 -0.00478 129 13 C 1S 0.00400 0.00243 0.00000 -0.01677 0.01213 130 2S 0.00127 -0.01048 0.00000 0.04641 -0.02767 131 2PX -0.17471 -0.03309 0.00000 0.05318 -0.02977 132 2PY 0.00000 0.00000 -0.00132 0.00000 0.00000 133 2PZ 0.11332 0.00662 0.00000 0.01731 -0.02639 134 3S -0.07661 0.00945 0.00000 0.04221 -0.05215 135 3PX -0.11275 -0.01232 0.00000 -0.01282 0.00528 136 3PY 0.00000 0.00000 0.01435 0.00000 0.00000 137 3PZ 0.00269 0.01691 0.00000 -0.01567 0.00435 138 4XX 0.02233 0.00393 0.00000 -0.00503 0.00268 139 4YY -0.00295 -0.00205 0.00000 0.00431 -0.00267 140 4ZZ -0.01702 -0.00245 0.00000 -0.00001 0.00236 141 4XY 0.00000 0.00000 -0.01160 0.00000 0.00000 142 4XZ -0.00518 -0.00129 0.00000 0.00435 -0.00240 143 4YZ 0.00000 0.00000 0.00720 0.00000 0.00000 144 14 H 1S -0.10721 -0.01273 0.00000 0.00294 0.00811 145 2S -0.13437 -0.00788 0.00000 -0.01918 0.03186 146 15 H 1S 0.15831 0.02749 0.00000 -0.02920 0.01136 147 2S 0.15900 0.03696 0.00000 -0.07548 0.04157 148 16 C 1S -0.00127 0.00430 -0.01455 -0.01223 0.00826 149 2S -0.00748 -0.01362 0.03061 0.02544 -0.01875 150 2PX 0.13534 0.03094 0.21982 -0.00958 0.00839 151 2PY -0.01291 0.00353 0.04125 0.01484 -0.00800 152 2PZ -0.06197 -0.00583 -0.13116 -0.02205 0.01081 153 3S 0.06673 -0.00913 0.04829 0.06983 -0.02993 154 3PX 0.07225 0.04169 0.15277 -0.00155 -0.00718 155 3PY 0.04082 -0.00045 -0.01030 0.01742 -0.02174 156 3PZ -0.03344 -0.00467 -0.11923 -0.01199 -0.00407 157 4XX 0.00926 0.00237 0.00502 -0.00422 0.00373 158 4YY 0.00042 -0.00224 -0.00221 0.00503 -0.00446 159 4ZZ -0.00842 -0.00030 -0.00344 -0.00530 0.00442 160 4XY 0.00317 0.00017 0.00056 -0.00011 -0.00077 161 4XZ 0.00639 -0.00218 0.00332 0.01054 -0.00945 162 4YZ 0.00089 -0.00005 -0.00219 -0.00018 -0.00002 163 17 H 1S 0.00614 -0.01258 -0.02143 0.01640 -0.01649 164 2S 0.01264 -0.00089 -0.06665 0.01060 -0.04447 165 18 C 1S 0.00616 -0.00206 0.00457 0.00183 -0.00127 166 2S -0.01293 0.01097 -0.01858 0.00172 -0.00374 167 2PX 0.24944 -0.01707 0.13538 0.17057 -0.16175 168 2PY 0.03659 0.00216 0.01402 0.01401 -0.01300 169 2PZ -0.04332 0.01921 -0.00433 -0.04950 0.05131 170 3S -0.03076 -0.00254 0.07127 -0.03236 0.03256 171 3PX 0.15938 -0.02917 0.08851 0.12405 -0.11872 172 3PY 0.01235 -0.00604 0.04364 0.01011 -0.00737 173 3PZ -0.01905 0.01696 -0.05345 -0.03286 0.02821 174 4XX -0.00160 -0.00135 -0.00360 -0.00061 0.00023 175 4YY 0.00021 0.00120 -0.00050 0.00103 -0.00121 176 4ZZ 0.00184 0.00169 0.00513 0.00175 -0.00102 177 4XY 0.00806 -0.00135 -0.00883 0.00642 -0.00633 178 4XZ -0.00690 -0.00099 -0.00689 0.00120 -0.00117 179 4YZ -0.00218 0.00014 -0.00075 -0.00297 0.00273 180 19 H 1S 0.00342 0.00805 0.01985 0.00571 -0.00381 181 2S -0.01127 -0.00374 0.03731 0.01309 -0.00646 182 20 C 1S -0.00127 0.00430 0.01456 -0.01223 0.00826 183 2S -0.00748 -0.01362 -0.03061 0.02543 -0.01875 184 2PX 0.13534 0.03094 -0.21982 -0.00960 0.00839 185 2PY 0.01291 -0.00353 0.04125 -0.01484 0.00800 186 2PZ -0.06197 -0.00583 0.13117 -0.02203 0.01081 187 3S 0.06674 -0.00913 -0.04829 0.06982 -0.02993 188 3PX 0.07225 0.04169 -0.15277 -0.00156 -0.00717 189 3PY -0.04082 0.00045 -0.01030 -0.01742 0.02174 190 3PZ -0.03344 -0.00467 0.11924 -0.01198 -0.00407 191 4XX 0.00926 0.00237 -0.00502 -0.00422 0.00373 192 4YY 0.00042 -0.00224 0.00221 0.00503 -0.00446 193 4ZZ -0.00842 -0.00030 0.00344 -0.00530 0.00442 194 4XY -0.00317 -0.00017 0.00056 0.00011 0.00077 195 4XZ 0.00639 -0.00218 -0.00332 0.01054 -0.00945 196 4YZ -0.00089 0.00005 -0.00219 0.00018 0.00002 197 21 H 1S 0.00614 -0.01258 0.02142 0.01640 -0.01649 198 2S 0.01264 -0.00089 0.06665 0.01060 -0.04447 199 22 C 1S 0.00616 -0.00206 -0.00457 0.00183 -0.00127 200 2S -0.01293 0.01097 0.01858 0.00172 -0.00375 201 2PX 0.24944 -0.01707 -0.13540 0.17056 -0.16174 202 2PY -0.03659 -0.00216 0.01402 -0.01401 0.01300 203 2PZ -0.04332 0.01921 0.00434 -0.04950 0.05131 204 3S -0.03076 -0.00254 -0.07126 -0.03237 0.03257 205 3PX 0.15938 -0.02917 -0.08853 0.12404 -0.11871 206 3PY -0.01235 0.00604 0.04364 -0.01011 0.00737 207 3PZ -0.01905 0.01696 0.05346 -0.03285 0.02821 208 4XX -0.00160 -0.00135 0.00360 -0.00061 0.00023 209 4YY 0.00021 0.00120 0.00050 0.00103 -0.00121 210 4ZZ 0.00184 0.00169 -0.00513 0.00175 -0.00102 211 4XY -0.00806 0.00135 -0.00883 -0.00642 0.00633 212 4XZ -0.00690 -0.00099 0.00689 0.00120 -0.00117 213 4YZ 0.00218 -0.00014 -0.00075 0.00297 -0.00273 214 23 H 1S 0.00342 0.00805 -0.01985 0.00571 -0.00380 215 2S -0.01127 -0.00374 -0.03731 0.01308 -0.00645 46 47 48 49 50 O V V V V Eigenvalues -- -0.24114 -0.09080 -0.03741 -0.02162 0.04090 1 1 C 1S 0.03173 0.00883 0.01293 -0.02453 -0.00802 2 2S -0.06385 -0.01382 -0.03921 0.05457 0.00855 3 2PX -0.14249 0.08640 0.08225 -0.21791 -0.15535 4 2PY -0.04347 -0.02123 -0.01049 0.03385 0.04548 5 2PZ -0.03376 -0.05254 -0.06991 0.16763 0.10098 6 3S -0.23116 -0.04183 0.00620 0.02779 0.10793 7 3PX -0.09811 0.08717 0.11542 -0.33309 -0.18486 8 3PY 0.02684 -0.01935 0.01474 0.15765 0.07077 9 3PZ -0.01161 -0.07657 -0.09375 0.13593 0.12248 10 4XX 0.00294 0.01156 0.01592 -0.00180 0.01425 11 4YY 0.00218 -0.00090 -0.00290 -0.00212 -0.00254 12 4ZZ 0.00343 -0.00608 -0.00786 -0.00231 -0.01454 13 4XY -0.00900 0.00379 -0.00630 -0.01057 0.01453 14 4XZ -0.00467 -0.00364 -0.01199 0.00055 0.00524 15 4YZ -0.00224 -0.00353 0.00422 0.00905 -0.01509 16 2 C 1S -0.03173 -0.00883 0.01293 0.02453 -0.00802 17 2S 0.06385 0.01382 -0.03921 -0.05457 0.00855 18 2PX 0.14249 -0.08641 0.08224 0.21791 -0.15535 19 2PY -0.04347 -0.02123 0.01049 0.03386 -0.04548 20 2PZ 0.03376 0.05254 -0.06991 -0.16763 0.10098 21 3S 0.23116 0.04183 0.00620 -0.02779 0.10793 22 3PX 0.09811 -0.08717 0.11541 0.33310 -0.18486 23 3PY 0.02684 -0.01936 -0.01474 0.15766 -0.07077 24 3PZ 0.01161 0.07657 -0.09375 -0.13593 0.12248 25 4XX -0.00294 -0.01156 0.01592 0.00180 0.01425 26 4YY -0.00218 0.00090 -0.00290 0.00212 -0.00254 27 4ZZ -0.00343 0.00608 -0.00786 0.00231 -0.01454 28 4XY -0.00900 0.00379 0.00630 -0.01057 -0.01453 29 4XZ 0.00467 0.00364 -0.01199 -0.00056 0.00524 30 4YZ -0.00224 -0.00353 -0.00422 0.00905 0.01509 31 3 C 1S -0.00443 0.00168 0.00393 -0.00376 -0.00064 32 2S 0.01623 -0.00168 -0.01580 0.00286 0.00406 33 2PX -0.08193 -0.16408 0.11462 -0.00280 0.24306 34 2PY 0.01100 -0.04161 0.00967 0.01098 0.06018 35 2PZ -0.08538 0.16412 -0.07428 -0.03994 -0.26711 36 3S -0.02185 -0.03536 -0.00589 0.04218 -0.01780 37 3PX -0.00042 -0.11387 0.11974 0.00242 0.31220 38 3PY 0.00199 -0.00476 -0.00467 -0.13076 0.09505 39 3PZ -0.00142 0.11564 -0.06720 -0.02226 -0.27350 40 4XX 0.00104 -0.00335 -0.00581 -0.01895 -0.00130 41 4YY 0.00042 -0.00541 0.00118 0.00212 0.00406 42 4ZZ -0.00162 0.00786 0.00329 0.01604 -0.00413 43 4XY -0.01606 -0.01721 0.00786 -0.00192 0.00829 44 4XZ 0.00297 -0.00374 0.00006 -0.00598 0.00218 45 4YZ -0.02510 0.01646 -0.00631 -0.00322 -0.00626 46 4 C 1S 0.02951 -0.00071 -0.00253 0.00383 0.00669 47 2S -0.05927 0.00097 0.01593 -0.01935 -0.02117 48 2PX 0.08415 -0.18442 -0.07768 -0.13706 -0.09297 49 2PY 0.03728 -0.00772 -0.00681 0.01235 -0.01118 50 2PZ 0.08494 0.15743 0.05695 0.13846 0.05977 51 3S -0.22747 -0.01891 -0.02080 0.07874 -0.09266 52 3PX 0.04606 -0.19517 -0.06142 -0.23935 -0.13443 53 3PY -0.04035 -0.03612 0.00701 0.05761 0.03441 54 3PZ 0.03389 0.17702 0.04790 0.15388 0.07145 55 4XX 0.00114 0.00640 -0.00774 0.00061 -0.01393 56 4YY 0.00268 0.00134 0.00136 -0.00181 -0.00442 57 4ZZ 0.00154 -0.00847 0.00820 0.00027 0.01752 58 4XY -0.00623 0.01279 -0.00547 0.00772 -0.01508 59 4XZ 0.00066 0.00061 -0.00006 -0.00004 -0.00150 60 4YZ -0.00629 -0.00927 0.00372 -0.00886 0.00640 61 5 C 1S -0.02951 0.00071 -0.00253 -0.00383 0.00669 62 2S 0.05927 -0.00097 0.01593 0.01935 -0.02117 63 2PX -0.08415 0.18442 -0.07768 0.13705 -0.09297 64 2PY 0.03727 -0.00772 0.00681 0.01235 0.01118 65 2PZ -0.08494 -0.15743 0.05695 -0.13846 0.05977 66 3S 0.22747 0.01891 -0.02079 -0.07875 -0.09266 67 3PX -0.04606 0.19517 -0.06142 0.23934 -0.13443 68 3PY -0.04035 -0.03612 -0.00702 0.05761 -0.03442 69 3PZ -0.03389 -0.17702 0.04790 -0.15388 0.07145 70 4XX -0.00114 -0.00640 -0.00774 -0.00061 -0.01393 71 4YY -0.00268 -0.00134 0.00136 0.00181 -0.00442 72 4ZZ -0.00154 0.00847 0.00820 -0.00027 0.01752 73 4XY -0.00623 0.01279 0.00547 0.00772 0.01508 74 4XZ -0.00066 -0.00061 -0.00006 0.00004 -0.00150 75 4YZ -0.00629 -0.00927 -0.00372 -0.00886 -0.00640 76 6 C 1S 0.00443 -0.00168 0.00393 0.00376 -0.00064 77 2S -0.01623 0.00168 -0.01580 -0.00286 0.00406 78 2PX 0.08193 0.16408 0.11462 0.00280 0.24306 79 2PY 0.01101 -0.04161 -0.00967 0.01098 -0.06017 80 2PZ 0.08538 -0.16412 -0.07428 0.03994 -0.26711 81 3S 0.02185 0.03536 -0.00589 -0.04218 -0.01780 82 3PX 0.00042 0.11387 0.11974 -0.00241 0.31220 83 3PY 0.00199 -0.00476 0.00467 -0.13076 -0.09505 84 3PZ 0.00142 -0.11564 -0.06720 0.02226 -0.27350 85 4XX -0.00104 0.00335 -0.00581 0.01895 -0.00130 86 4YY -0.00042 0.00541 0.00118 -0.00212 0.00406 87 4ZZ 0.00162 -0.00786 0.00329 -0.01604 -0.00413 88 4XY -0.01606 -0.01721 -0.00786 -0.00192 -0.00829 89 4XZ -0.00297 0.00374 0.00006 0.00598 0.00217 90 4YZ -0.02510 0.01646 0.00631 -0.00322 0.00626 91 7 H 1S 0.01687 -0.01635 -0.03844 -0.03281 0.00223 92 2S 0.06280 -0.03333 -0.11177 -0.13647 -0.03603 93 8 H 1S -0.01687 0.01635 -0.03845 0.03281 0.00223 94 2S -0.06280 0.03333 -0.11177 0.13647 -0.03603 95 9 H 1S 0.04682 -0.00723 0.00305 0.00132 0.01779 96 2S 0.09495 -0.02194 0.00674 0.04456 0.12639 97 10 H 1S -0.04682 0.00723 0.00305 -0.00132 0.01779 98 2S -0.09495 0.02193 0.00674 -0.04456 0.12639 99 11 O 1S -0.00020 -0.00210 0.00118 0.00416 -0.00159 100 2S -0.00098 0.00392 -0.00114 0.00744 0.00044 101 2PX 0.17447 0.19928 -0.07698 0.01381 -0.16447 102 2PY -0.00692 0.05236 -0.01715 -0.00125 -0.03192 103 2PZ 0.29082 -0.18469 0.06519 0.02534 0.17234 104 3S 0.00882 0.02664 -0.02076 -0.11889 0.03068 105 3PX 0.12732 0.17394 -0.08656 0.01382 -0.18817 106 3PY -0.00073 0.05231 -0.02521 -0.03582 -0.02903 107 3PZ 0.21382 -0.16392 0.06617 0.01922 0.19065 108 4XX -0.00214 -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 -0.00173 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 0.00927 -0.00182 -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 -0.00744 0.00044 116 2PX -0.17447 -0.19928 -0.07698 -0.01381 -0.16447 117 2PY -0.00692 0.05236 0.01715 -0.00125 0.03192 118 2PZ -0.29082 0.18469 0.06519 -0.02534 0.17234 119 3S -0.00882 -0.02664 -0.02076 0.11889 0.03068 120 3PX -0.12732 -0.17395 -0.08656 -0.01382 -0.18817 121 3PY -0.00073 0.05231 0.02521 -0.03582 0.02903 122 3PZ -0.21382 0.16392 0.06617 -0.01922 0.19065 123 4XX 0.00214 0.00247 0.00090 -0.00262 -0.00200 124 4YY 0.00051 -0.00145 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 0.00070 -0.00056 -0.00047 0.00095 0.00111 128 4YZ 0.00927 -0.00182 0.00016 -0.00143 0.00362 129 13 C 1S 0.00000 0.00000 0.00287 0.00000 0.02277 130 2S 0.00000 0.00000 -0.01519 0.00000 -0.04693 131 2PX 0.00000 0.00000 -0.03013 0.00000 -0.01467 132 2PY -0.00273 0.01563 0.00000 -0.08886 0.00000 133 2PZ 0.00000 0.00000 -0.03693 0.00000 0.00562 134 3S 0.00000 0.00000 0.01961 0.00000 -0.30711 135 3PX 0.00000 0.00000 0.01552 0.00000 0.08568 136 3PY -0.00589 0.01035 0.00000 -0.12048 0.00000 137 3PZ 0.00000 0.00000 -0.08849 0.00000 -0.03178 138 4XX 0.00000 0.00000 0.02534 0.00000 -0.00297 139 4YY 0.00000 0.00000 -0.01141 0.00000 0.00051 140 4ZZ 0.00000 0.00000 -0.01504 0.00000 0.00218 141 4XY 0.00876 0.00677 0.00000 0.00274 0.00000 142 4XZ 0.00000 0.00000 0.00238 0.00000 -0.00388 143 4YZ -0.00563 -0.00315 0.00000 -0.00062 0.00000 144 14 H 1S 0.00000 0.00000 -0.05605 0.00000 0.00834 145 2S 0.00000 0.00000 -0.21790 0.00000 0.12684 146 15 H 1S 0.00000 0.00000 0.11557 0.00000 -0.00738 147 2S 0.00000 0.00000 0.30992 0.00000 0.11944 148 16 C 1S 0.01082 0.01448 -0.02227 -0.00478 0.00860 149 2S -0.02191 -0.03489 0.03352 0.02528 -0.02230 150 2PX -0.16099 -0.11121 0.32926 0.01530 -0.10608 151 2PY -0.03893 -0.02454 0.00954 -0.00018 -0.00173 152 2PZ 0.07914 0.05165 -0.12262 0.01086 0.06156 153 3S -0.03102 -0.07313 0.18623 -0.07991 -0.04882 154 3PX -0.12876 -0.12851 0.39657 0.00968 -0.19773 155 3PY -0.01950 -0.02178 0.02962 -0.03145 0.05715 156 3PZ 0.08055 0.05566 -0.11088 0.00012 0.06209 157 4XX -0.00186 0.00328 -0.00779 -0.00115 0.00286 158 4YY 0.00207 -0.00053 -0.00053 0.00330 -0.00311 159 4ZZ 0.00081 0.00078 0.00037 -0.00628 0.00194 160 4XY -0.00013 -0.00022 -0.00140 -0.00010 0.00733 161 4XZ -0.00262 -0.00627 -0.00271 0.01985 -0.00435 162 4YZ 0.00110 -0.00017 0.00048 -0.00033 0.00040 163 17 H 1S 0.02135 0.00200 -0.01072 0.02210 0.00085 164 2S 0.02042 -0.00221 -0.03330 0.03075 0.07757 165 18 C 1S -0.00079 0.00214 0.00165 0.00343 0.00037 166 2S 0.00625 -0.01700 0.00481 -0.00853 0.00796 167 2PX -0.09692 -0.08289 -0.15144 0.25302 0.06004 168 2PY -0.00825 0.00427 -0.00671 0.00238 -0.00760 169 2PZ 0.02138 0.02260 0.05377 -0.10632 -0.03236 170 3S -0.04291 0.03232 -0.05825 0.01770 -0.03403 171 3PX -0.06588 -0.05570 -0.20039 0.33007 0.07937 172 3PY -0.01939 0.01139 0.00677 0.03812 0.00147 173 3PZ 0.03646 -0.00495 0.09534 -0.17966 -0.02082 174 4XX 0.00232 0.00306 -0.00809 -0.00020 0.00281 175 4YY 0.00097 -0.00051 0.00036 0.00120 0.00014 176 4ZZ -0.00354 -0.00495 0.00941 0.00062 -0.00126 177 4XY 0.00633 0.00489 -0.01210 -0.01308 0.00887 178 4XZ 0.00455 0.00206 -0.01339 -0.00008 0.00615 179 4YZ -0.00062 -0.00031 0.00323 0.00570 -0.00354 180 19 H 1S -0.00730 -0.01517 0.00020 -0.00059 0.00976 181 2S -0.01191 0.00560 0.01244 0.05516 0.02875 182 20 C 1S -0.01082 -0.01448 -0.02226 0.00478 0.00860 183 2S 0.02191 0.03489 0.03352 -0.02528 -0.02230 184 2PX 0.16099 0.11121 0.32926 -0.01529 -0.10608 185 2PY -0.03893 -0.02454 -0.00954 -0.00018 0.00173 186 2PZ -0.07914 -0.05165 -0.12262 -0.01086 0.06156 187 3S 0.03102 0.07313 0.18623 0.07992 -0.04881 188 3PX 0.12876 0.12851 0.39657 -0.00967 -0.19773 189 3PY -0.01950 -0.02178 -0.02962 -0.03145 -0.05715 190 3PZ -0.08055 -0.05566 -0.11088 -0.00013 0.06209 191 4XX 0.00186 -0.00328 -0.00779 0.00115 0.00286 192 4YY -0.00207 0.00053 -0.00053 -0.00330 -0.00311 193 4ZZ -0.00081 -0.00078 0.00037 0.00628 0.00194 194 4XY -0.00013 -0.00022 0.00140 -0.00010 -0.00733 195 4XZ 0.00262 0.00627 -0.00270 -0.01985 -0.00435 196 4YZ 0.00110 -0.00017 -0.00048 -0.00033 -0.00040 197 21 H 1S -0.02135 -0.00200 -0.01072 -0.02210 0.00085 198 2S -0.02042 0.00221 -0.03330 -0.03076 0.07756 199 22 C 1S 0.00079 -0.00214 0.00165 -0.00343 0.00037 200 2S -0.00625 0.01700 0.00481 0.00853 0.00796 201 2PX 0.09692 0.08289 -0.15143 -0.25302 0.06004 202 2PY -0.00825 0.00427 0.00671 0.00238 0.00760 203 2PZ -0.02138 -0.02260 0.05377 0.10632 -0.03236 204 3S 0.04291 -0.03232 -0.05825 -0.01770 -0.03403 205 3PX 0.06588 0.05570 -0.20038 -0.33008 0.07937 206 3PY -0.01939 0.01139 -0.00677 0.03812 -0.00147 207 3PZ -0.03646 0.00495 0.09534 0.17967 -0.02081 208 4XX -0.00232 -0.00306 -0.00809 0.00020 0.00281 209 4YY -0.00097 0.00051 0.00036 -0.00120 0.00014 210 4ZZ 0.00354 0.00495 0.00941 -0.00062 -0.00126 211 4XY 0.00633 0.00489 0.01210 -0.01308 -0.00887 212 4XZ -0.00455 -0.00206 -0.01339 0.00008 0.00615 213 4YZ -0.00062 -0.00031 -0.00323 0.00570 0.00354 214 23 H 1S 0.00730 0.01517 0.00020 0.00059 0.00976 215 2S 0.01191 -0.00560 0.01244 -0.05516 0.02875 51 52 53 54 55 V V V V V Eigenvalues -- 0.06874 0.08016 0.10838 0.12069 0.13553 1 1 C 1S -0.00496 -0.04311 -0.03002 -0.01531 -0.00398 2 2S -0.00021 0.06144 0.06099 0.00796 -0.01328 3 2PX -0.08002 -0.06969 -0.02570 -0.06106 -0.01113 4 2PY 0.03103 0.07293 0.03590 0.03005 0.03857 5 2PZ 0.05410 -0.10313 -0.04167 -0.08892 -0.11677 6 3S 0.11262 0.64953 0.41335 0.43209 0.20485 7 3PX -0.06212 -0.16237 -0.04827 -0.06562 -0.14779 8 3PY -0.01262 0.26930 0.16599 0.17580 0.09021 9 3PZ 0.20579 -0.24649 -0.11945 -0.14966 -0.26785 10 4XX -0.01460 -0.00535 -0.00268 -0.00400 0.00551 11 4YY 0.00369 0.00217 0.00598 0.00022 -0.00550 12 4ZZ 0.00580 -0.00775 -0.00630 0.00059 -0.00293 13 4XY -0.00317 0.00763 0.00780 0.00245 0.00904 14 4XZ 0.00645 -0.00267 -0.00429 0.00308 0.00373 15 4YZ 0.00363 0.00611 0.00461 0.00209 0.01384 16 2 C 1S 0.00496 -0.04311 -0.03002 -0.01531 -0.00390 17 2S 0.00021 0.06144 0.06099 0.00796 -0.01344 18 2PX 0.08002 -0.06969 -0.02570 -0.06106 -0.01098 19 2PY 0.03103 -0.07293 -0.03590 -0.03005 -0.03850 20 2PZ -0.05410 -0.10313 -0.04167 -0.08892 -0.11672 21 3S -0.11264 0.64953 0.41336 0.43209 0.20415 22 3PX 0.06212 -0.16235 -0.04827 -0.06562 -0.14722 23 3PY -0.01261 -0.26929 -0.16599 -0.17580 -0.08984 24 3PZ -0.20578 -0.24648 -0.11947 -0.14966 -0.26716 25 4XX 0.01460 -0.00535 -0.00268 -0.00400 0.00551 26 4YY -0.00369 0.00217 0.00598 0.00022 -0.00549 27 4ZZ -0.00580 -0.00775 -0.00630 0.00059 -0.00293 28 4XY -0.00317 -0.00763 -0.00780 -0.00245 -0.00904 29 4XZ -0.00645 -0.00267 -0.00429 0.00308 0.00373 30 4YZ 0.00363 -0.00611 -0.00461 -0.00209 -0.01384 31 3 C 1S 0.00000 -0.00241 -0.00632 0.01059 -0.02297 32 2S -0.00082 0.01952 0.01792 -0.02413 0.04472 33 2PX 0.11095 0.00097 0.01578 -0.04942 -0.09147 34 2PY 0.02875 -0.01229 -0.01972 -0.01037 0.02175 35 2PZ -0.10346 -0.01986 -0.01053 -0.01741 0.00278 36 3S 0.04224 -0.10223 -0.00533 -0.08250 0.26778 37 3PX 0.09222 0.03463 0.02167 0.05942 -0.09415 38 3PY 0.16648 0.07321 -0.11207 -0.11266 0.12315 39 3PZ -0.12895 0.00036 -0.02449 0.10993 0.05828 40 4XX -0.01655 0.00642 0.00810 -0.00409 -0.00419 41 4YY 0.00346 -0.01559 -0.01809 0.01199 -0.00637 42 4ZZ 0.01314 0.00836 0.00792 -0.00408 0.00388 43 4XY 0.00071 0.00565 0.00103 0.00386 0.00358 44 4XZ 0.00149 0.00546 0.00504 -0.00234 0.00013 45 4YZ -0.00359 -0.00100 -0.00360 0.00745 0.00069 46 4 C 1S -0.00459 -0.02062 -0.03695 0.03558 0.01020 47 2S 0.02476 0.04464 0.05265 -0.05446 -0.00817 48 2PX -0.20369 -0.00146 0.07508 -0.12349 -0.00785 49 2PY -0.00468 -0.03704 -0.06419 0.09456 0.02719 50 2PZ 0.16991 0.02120 0.07175 -0.16264 -0.03106 51 3S -0.10401 0.23868 0.59697 -0.74992 -0.23063 52 3PX -0.25402 0.04476 0.13242 -0.29440 0.01172 53 3PY -0.08098 -0.11720 -0.23648 0.34712 0.08445 54 3PZ 0.30979 0.06313 0.16502 -0.32772 -0.02321 55 4XX -0.00560 -0.00350 -0.00749 0.00276 0.00404 56 4YY -0.00074 0.00344 0.00234 -0.00149 -0.00031 57 4ZZ 0.00743 -0.00137 -0.00463 0.00071 -0.00158 58 4XY 0.00977 0.00179 0.00974 -0.00996 0.00241 59 4XZ 0.00029 -0.00435 -0.00745 0.00083 0.00073 60 4YZ -0.00860 0.00440 0.00980 -0.01542 -0.00303 61 5 C 1S 0.00459 -0.02062 -0.03695 0.03558 0.01017 62 2S -0.02476 0.04464 0.05264 -0.05446 -0.00809 63 2PX 0.20369 -0.00146 0.07509 -0.12349 -0.00789 64 2PY -0.00467 0.03704 0.06419 -0.09457 -0.02715 65 2PZ -0.16991 0.02119 0.07174 -0.16264 -0.03101 66 3S 0.10400 0.23867 0.59698 -0.74992 -0.23073 67 3PX 0.25402 0.04477 0.13242 -0.29439 0.01196 68 3PY -0.08098 0.11720 0.23648 -0.34712 -0.08410 69 3PZ -0.30979 0.06313 0.16501 -0.32772 -0.02278 70 4XX 0.00560 -0.00349 -0.00749 0.00276 0.00404 71 4YY 0.00074 0.00344 0.00234 -0.00149 -0.00031 72 4ZZ -0.00743 -0.00137 -0.00463 0.00071 -0.00157 73 4XY 0.00977 -0.00179 -0.00974 0.00996 -0.00241 74 4XZ -0.00029 -0.00435 -0.00745 0.00083 0.00072 75 4YZ -0.00860 -0.00440 -0.00980 0.01542 0.00303 76 6 C 1S 0.00000 -0.00241 -0.00632 0.01059 -0.02295 77 2S 0.00082 0.01952 0.01792 -0.02413 0.04465 78 2PX -0.11095 0.00097 0.01578 -0.04942 -0.09136 79 2PY 0.02875 0.01229 0.01972 0.01037 -0.02171 80 2PZ 0.10346 -0.01985 -0.01053 -0.01741 0.00271 81 3S -0.04223 -0.10223 -0.00533 -0.08250 0.26789 82 3PX -0.09222 0.03463 0.02167 0.05942 -0.09412 83 3PY 0.16647 -0.07322 0.11209 0.11267 -0.12372 84 3PZ 0.12895 0.00037 -0.02449 0.10993 0.05828 85 4XX 0.01655 0.00642 0.00810 -0.00409 -0.00419 86 4YY -0.00346 -0.01559 -0.01809 0.01199 -0.00638 87 4ZZ -0.01314 0.00836 0.00792 -0.00408 0.00388 88 4XY 0.00071 -0.00565 -0.00103 -0.00386 -0.00359 89 4XZ -0.00149 0.00546 0.00504 -0.00234 0.00014 90 4YZ -0.00359 0.00100 0.00360 -0.00745 -0.00069 91 7 H 1S 0.03178 -0.03868 -0.04203 -0.00665 -0.04576 92 2S 0.13934 -0.79217 -0.47019 -0.44733 -0.52900 93 8 H 1S -0.03178 -0.03868 -0.04203 -0.00665 -0.04572 94 2S -0.13932 -0.79216 -0.47020 -0.44733 -0.52772 95 9 H 1S -0.00055 -0.02311 -0.06735 0.06034 0.00844 96 2S -0.04381 -0.29684 -0.74039 1.10457 0.19181 97 10 H 1S 0.00055 -0.02311 -0.06735 0.06034 0.00841 98 2S 0.04383 -0.29684 -0.74038 1.10457 0.19123 99 11 O 1S -0.00550 0.00015 0.01089 0.00022 0.00057 100 2S 0.00396 -0.00950 -0.02419 0.00565 -0.00342 101 2PX -0.05654 -0.01152 0.02108 0.02066 0.02940 102 2PY -0.00315 -0.04541 -0.05326 0.03441 -0.01719 103 2PZ 0.06291 0.00263 -0.00543 -0.01674 -0.02051 104 3S 0.10259 0.06385 -0.11475 -0.05073 0.02478 105 3PX -0.07136 -0.01110 0.00457 0.01767 0.04700 106 3PY 0.01934 -0.00254 -0.07464 0.00457 -0.00432 107 3PZ 0.07757 0.00942 -0.00278 -0.01875 -0.01656 108 4XX -0.00677 -0.00287 0.00250 0.00349 -0.00080 109 4YY -0.00042 0.00347 0.00131 -0.00357 0.00202 110 4ZZ -0.00092 -0.00325 0.00053 0.00145 -0.00052 111 4XY 0.00105 -0.00227 0.00120 -0.00247 -0.00293 112 4XZ -0.00006 -0.00039 -0.00100 0.00092 -0.00111 113 4YZ -0.00170 -0.00013 -0.00005 -0.00353 -0.00069 114 12 O 1S 0.00550 0.00015 0.01089 0.00022 0.00055 115 2S -0.00396 -0.00950 -0.02419 0.00565 -0.00340 116 2PX 0.05654 -0.01152 0.02109 0.02066 0.02932 117 2PY -0.00315 0.04542 0.05326 -0.03441 0.01720 118 2PZ -0.06290 0.00263 -0.00543 -0.01674 -0.02050 119 3S -0.10259 0.06385 -0.11476 -0.05073 0.02516 120 3PX 0.07136 -0.01110 0.00457 0.01767 0.04692 121 3PY 0.01934 0.00254 0.07464 -0.00457 0.00421 122 3PZ -0.07756 0.00942 -0.00279 -0.01875 -0.01652 123 4XX 0.00677 -0.00287 0.00250 0.00349 -0.00081 124 4YY 0.00042 0.00347 0.00131 -0.00357 0.00203 125 4ZZ 0.00092 -0.00325 0.00053 0.00145 -0.00053 126 4XY 0.00105 0.00227 -0.00119 0.00247 0.00293 127 4XZ 0.00006 -0.00039 -0.00100 0.00092 -0.00111 128 4YZ -0.00170 0.00013 0.00005 0.00353 0.00069 129 13 C 1S 0.00000 -0.05776 -0.00953 -0.04596 0.08043 130 2S 0.00000 0.06257 0.00437 0.04164 -0.07611 131 2PX 0.00000 -0.04348 0.00249 -0.06574 0.33863 132 2PY 0.09108 0.00000 0.00000 0.00000 -0.00004 133 2PZ 0.00000 -0.14645 -0.02309 -0.08523 -0.06103 134 3S -0.00002 1.00414 0.17469 0.89595 -1.48397 135 3PX 0.00000 -0.02451 -0.02194 -0.10781 0.93544 136 3PY 0.31514 0.00000 0.00000 0.00000 -0.00021 137 3PZ 0.00000 -0.33558 -0.19345 -0.27684 -0.35757 138 4XX 0.00000 -0.00841 -0.00122 -0.00310 0.01191 139 4YY 0.00000 0.00503 -0.01415 -0.00934 0.00501 140 4ZZ 0.00000 -0.00874 0.01022 0.00176 0.00333 141 4XY -0.01915 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 -0.00327 0.00708 0.00468 -0.00659 143 4YZ 0.00557 0.00000 0.00000 0.00000 0.00001 144 14 H 1S 0.00000 -0.02343 0.03170 -0.00146 0.00268 145 2S 0.00001 -0.84639 -0.15926 -0.61239 0.07924 146 15 H 1S 0.00000 -0.03035 -0.00808 -0.01369 0.06352 147 2S 0.00000 -0.36823 -0.03028 -0.39500 1.82462 148 16 C 1S -0.03892 -0.02405 0.03372 0.01423 0.00601 149 2S 0.06669 0.05474 -0.06431 -0.01432 -0.03417 150 2PX 0.16460 -0.06460 0.00492 0.00535 -0.02019 151 2PY 0.02942 -0.10367 0.08004 0.00975 0.02040 152 2PZ -0.12845 0.01038 0.04633 0.02579 -0.00619 153 3S 0.44990 0.31243 -0.38550 -0.19485 0.00957 154 3PX 0.21516 -0.09623 0.05218 0.06500 -0.26066 155 3PY 0.06377 -0.26481 0.24530 -0.01201 0.10057 156 3PZ -0.23671 0.09713 0.22482 0.18566 0.08230 157 4XX -0.01483 0.00270 -0.00246 -0.00151 -0.00276 158 4YY 0.00177 -0.01046 0.01386 0.00679 0.00009 159 4ZZ 0.00492 0.00576 -0.00449 -0.00010 0.00062 160 4XY -0.00165 0.00072 0.00118 0.00001 0.00844 161 4XZ -0.01084 0.00308 -0.00253 0.00064 -0.00367 162 4YZ 0.00231 -0.00828 0.00692 0.00342 -0.00746 163 17 H 1S -0.00003 -0.03412 0.05507 0.02906 -0.00098 164 2S -0.15633 -0.54461 0.63035 0.18098 0.10984 165 18 C 1S -0.00375 -0.02409 0.03365 0.02118 -0.00764 166 2S 0.01376 0.05407 -0.04573 -0.01911 -0.01247 167 2PX -0.24095 0.03823 -0.03838 -0.04396 0.05577 168 2PY 0.01516 -0.03179 0.10032 0.07418 -0.01000 169 2PZ 0.08016 0.05760 -0.11094 -0.07603 0.00526 170 3S 0.02471 0.25150 -0.66765 -0.49759 0.11509 171 3PX -0.38983 0.10174 -0.08162 -0.07912 0.06456 172 3PY 0.03762 -0.05422 0.22585 0.21555 -0.05975 173 3PZ 0.14433 0.12923 -0.20126 -0.17330 0.01320 174 4XX -0.00303 -0.00017 -0.00164 -0.00037 -0.00011 175 4YY -0.00299 0.00347 0.00162 0.00331 -0.00262 176 4ZZ 0.00690 -0.00611 0.00279 0.00137 -0.00671 177 4XY 0.01080 0.00566 -0.00432 -0.00241 0.00474 178 4XZ -0.00406 0.00114 0.00317 -0.00003 -0.00009 179 4YZ -0.00463 0.01248 -0.01354 -0.00536 0.00021 180 19 H 1S -0.00058 -0.04247 0.04775 0.01995 -0.01116 181 2S 0.04414 -0.44332 0.78462 0.59075 -0.13292 182 20 C 1S 0.03892 -0.02405 0.03372 0.01423 0.00595 183 2S -0.06669 0.05474 -0.06431 -0.01432 -0.03411 184 2PX -0.16460 -0.06460 0.00492 0.00535 -0.02036 185 2PY 0.02942 0.10367 -0.08004 -0.00975 -0.02024 186 2PZ 0.12844 0.01038 0.04633 0.02579 -0.00618 187 3S -0.44990 0.31242 -0.38551 -0.19486 0.01071 188 3PX -0.21516 -0.09624 0.05218 0.06500 -0.26103 189 3PY 0.06377 0.26482 -0.24530 0.01202 -0.10013 190 3PZ 0.23671 0.09714 0.22483 0.18566 0.08247 191 4XX 0.01483 0.00270 -0.00246 -0.00151 -0.00276 192 4YY -0.00177 -0.01046 0.01386 0.00679 0.00010 193 4ZZ -0.00492 0.00576 -0.00449 -0.00010 0.00061 194 4XY -0.00165 -0.00072 -0.00118 -0.00001 -0.00845 195 4XZ 0.01084 0.00308 -0.00253 0.00064 -0.00367 196 4YZ 0.00231 0.00828 -0.00692 -0.00342 0.00746 197 21 H 1S 0.00003 -0.03413 0.05507 0.02906 -0.00099 198 2S 0.15633 -0.54462 0.63036 0.18098 0.10882 199 22 C 1S 0.00374 -0.02409 0.03365 0.02118 -0.00761 200 2S -0.01376 0.05407 -0.04573 -0.01911 -0.01254 201 2PX 0.24095 0.03823 -0.03838 -0.04396 0.05593 202 2PY 0.01516 0.03179 -0.10032 -0.07418 0.00999 203 2PZ -0.08016 0.05760 -0.11094 -0.07602 0.00527 204 3S -0.02470 0.25149 -0.66766 -0.49759 0.11482 205 3PX 0.38983 0.10175 -0.08162 -0.07912 0.06491 206 3PY 0.03762 0.05422 -0.22584 -0.21555 0.05946 207 3PZ -0.14434 0.12923 -0.20125 -0.17331 0.01329 208 4XX 0.00303 -0.00017 -0.00164 -0.00037 -0.00011 209 4YY 0.00299 0.00347 0.00162 0.00331 -0.00261 210 4ZZ -0.00690 -0.00611 0.00279 0.00137 -0.00671 211 4XY 0.01080 -0.00566 0.00432 0.00241 -0.00474 212 4XZ 0.00406 0.00114 0.00317 -0.00003 -0.00008 213 4YZ -0.00463 -0.01248 0.01354 0.00536 -0.00021 214 23 H 1S 0.00058 -0.04247 0.04775 0.01995 -0.01112 215 2S -0.04414 -0.44332 0.78461 0.59075 -0.13279 56 57 58 59 60 V V V V V Eigenvalues -- 0.13580 0.15098 0.15136 0.15962 0.17377 1 1 C 1S -0.06537 0.00033 0.01709 -0.02080 0.00739 2 2S 0.12385 0.00849 -0.02176 0.06276 0.01403 3 2PX -0.12365 0.00315 0.11548 -0.12586 0.14411 4 2PY 0.05377 0.01604 -0.01407 0.01860 0.05375 5 2PZ -0.03134 -0.02172 -0.06861 0.10402 -0.06938 6 3S 0.55728 -0.05199 -0.28724 -0.15947 -0.43328 7 3PX -0.45413 -0.05071 0.17887 -0.33864 0.17340 8 3PY 0.29600 -0.03847 -0.01470 0.27625 0.36208 9 3PZ -0.54679 -0.12108 -0.12202 0.07301 -0.23606 10 4XX -0.00362 0.00311 -0.00399 0.00510 -0.00643 11 4YY -0.01108 -0.00121 0.00250 -0.00565 0.00765 12 4ZZ -0.00165 0.00076 0.00582 -0.00704 0.00000 13 4XY -0.00238 -0.00265 0.00447 -0.00293 0.00687 14 4XZ -0.00294 -0.00127 -0.00081 -0.00001 -0.00917 15 4YZ -0.00430 0.00559 -0.00027 0.00137 -0.00013 16 2 C 1S 0.06537 0.00033 -0.01709 0.02080 -0.00739 17 2S -0.12384 0.00849 0.02176 -0.06276 -0.01403 18 2PX 0.12367 0.00319 -0.11548 0.12586 -0.14414 19 2PY 0.05382 -0.01604 -0.01408 0.01860 0.05375 20 2PZ 0.03149 -0.02175 0.06861 -0.10402 0.06935 21 3S -0.55754 -0.05208 0.28721 0.15949 0.43323 22 3PX 0.45431 -0.05065 -0.17889 0.33863 -0.17349 23 3PY 0.29612 0.03847 -0.01468 0.27624 0.36211 24 3PZ 0.54713 -0.12114 0.12198 -0.07300 0.23595 25 4XX 0.00362 0.00310 0.00399 -0.00510 0.00643 26 4YY 0.01109 -0.00121 -0.00250 0.00565 -0.00765 27 4ZZ 0.00166 0.00077 -0.00582 0.00704 0.00000 28 4XY -0.00237 0.00265 0.00447 -0.00293 0.00687 29 4XZ 0.00294 -0.00127 0.00081 0.00001 0.00917 30 4YZ -0.00429 -0.00559 -0.00028 0.00137 -0.00014 31 3 C 1S -0.01745 -0.00525 0.00255 -0.01032 -0.01792 32 2S 0.05832 0.00355 -0.01325 0.03491 0.06626 33 2PX -0.09218 -0.01936 0.11703 -0.12727 0.13059 34 2PY 0.03009 0.00193 0.01361 -0.00991 0.09508 35 2PZ 0.06197 -0.00159 -0.09281 0.14243 -0.03532 36 3S -0.08474 0.10856 0.01682 -0.05913 -0.05236 37 3PX -0.02978 -0.06149 0.17655 -0.17270 0.16536 38 3PY -0.45501 0.11361 -0.20639 -0.40205 -0.21659 39 3PZ 0.00002 -0.01426 -0.10054 0.11179 -0.12160 40 4XX -0.00315 0.00075 0.00102 -0.00065 -0.00476 41 4YY 0.00489 -0.00397 0.00453 -0.00099 0.01113 42 4ZZ -0.00207 0.00044 -0.00461 0.00055 -0.00775 43 4XY -0.00205 0.00281 -0.00139 0.00195 -0.00191 44 4XZ -0.00879 0.00155 -0.00181 -0.00505 -0.01246 45 4YZ -0.00089 -0.00126 0.00017 -0.00203 0.00136 46 4 C 1S 0.02534 -0.00081 0.00767 0.03061 0.06908 47 2S -0.06926 -0.00841 -0.03358 -0.08222 -0.14422 48 2PX 0.03288 0.01930 -0.05922 0.07895 -0.15361 49 2PY 0.03237 -0.00095 0.01354 0.02024 0.09906 50 2PZ -0.04000 -0.01557 0.01780 -0.13019 -0.04018 51 3S 0.08311 0.03146 0.05198 -0.10604 -0.57805 52 3PX -0.18888 0.03286 -0.26713 -0.16622 -0.72797 53 3PY 0.27623 -0.03383 0.14283 0.18503 0.55866 54 3PZ -0.34460 0.04347 -0.03109 -0.50651 -0.55342 55 4XX 0.00449 -0.00179 -0.00715 0.00415 -0.00286 56 4YY 0.00463 -0.00158 -0.00113 0.00717 0.00702 57 4ZZ -0.00281 -0.00101 0.00444 -0.00880 0.00849 58 4XY -0.00019 0.00231 0.00077 -0.00076 0.00650 59 4XZ 0.00598 -0.00227 -0.00218 0.00263 0.00538 60 4YZ 0.00082 -0.00134 -0.00057 0.00567 0.00310 61 5 C 1S -0.02535 -0.00080 -0.00767 -0.03061 -0.06908 62 2S 0.06927 -0.00843 0.03358 0.08222 0.14422 63 2PX -0.03287 0.01928 0.05923 -0.07895 0.15360 64 2PY 0.03240 0.00094 0.01354 0.02024 0.09905 65 2PZ 0.04004 -0.01556 -0.01780 0.13019 0.04018 66 3S -0.08282 0.03148 -0.05197 0.10604 0.57795 67 3PX 0.18886 0.03275 0.26714 0.16622 0.72798 68 3PY 0.27634 0.03377 0.14285 0.18503 0.55863 69 3PZ 0.34463 0.04345 0.03111 0.50651 0.55345 70 4XX -0.00449 -0.00179 0.00715 -0.00415 0.00286 71 4YY -0.00463 -0.00158 0.00113 -0.00717 -0.00702 72 4ZZ 0.00282 -0.00101 -0.00444 0.00880 -0.00849 73 4XY -0.00019 -0.00231 0.00077 -0.00076 0.00650 74 4XZ -0.00598 -0.00227 0.00218 -0.00263 -0.00538 75 4YZ 0.00082 0.00134 -0.00057 0.00567 0.00309 76 6 C 1S 0.01748 -0.00525 -0.00255 0.01032 0.01790 77 2S -0.05838 0.00354 0.01325 -0.03491 -0.06624 78 2PX 0.09230 -0.01932 -0.11704 0.12726 -0.13060 79 2PY 0.03012 -0.00194 0.01361 -0.00990 0.09506 80 2PZ -0.06198 -0.00162 0.09281 -0.14243 0.03531 81 3S 0.08440 0.10856 -0.01678 0.05912 0.05262 82 3PX 0.02990 -0.06142 -0.17657 0.17270 -0.16538 83 3PY -0.45486 -0.11353 -0.20644 -0.40204 -0.21663 84 3PZ -0.00010 -0.01430 0.10054 -0.11178 0.12158 85 4XX 0.00315 0.00075 -0.00102 0.00065 0.00476 86 4YY -0.00488 -0.00396 -0.00454 0.00099 -0.01113 87 4ZZ 0.00206 0.00044 0.00461 -0.00055 0.00775 88 4XY -0.00205 -0.00280 -0.00139 0.00195 -0.00191 89 4XZ 0.00879 0.00155 0.00181 0.00505 0.01246 90 4YZ -0.00089 0.00126 0.00017 -0.00203 0.00136 91 7 H 1S -0.02627 -0.01744 0.01823 -0.03014 -0.01981 92 2S -1.02637 -0.15866 0.10651 -0.14704 -0.18205 93 8 H 1S 0.02633 -0.01743 -0.01823 0.03014 0.01979 94 2S 1.02704 -0.15865 -0.10656 0.14703 0.18191 95 9 H 1S 0.02769 -0.01203 -0.00789 0.01186 0.05844 96 2S 0.46354 -0.05891 0.23596 0.58359 1.47002 97 10 H 1S -0.02771 -0.01204 0.00789 -0.01186 -0.05844 98 2S -0.46378 -0.05880 -0.23599 -0.58359 -1.46998 99 11 O 1S 0.01529 -0.00338 0.00789 0.01168 0.00156 100 2S -0.01621 0.01079 -0.00120 -0.00268 0.01657 101 2PX 0.06354 -0.01624 -0.03169 0.03817 -0.08688 102 2PY 0.00586 -0.01063 -0.00255 -0.00654 0.01406 103 2PZ -0.01213 -0.01185 0.02431 -0.07820 0.00310 104 3S -0.30427 0.05158 -0.18706 -0.26322 -0.13716 105 3PX 0.06361 0.00623 -0.05627 0.08781 -0.07334 106 3PY -0.08537 0.01608 -0.07599 -0.06456 -0.02659 107 3PZ -0.02834 0.00037 0.03909 -0.09043 0.02882 108 4XX 0.00937 -0.00099 0.00650 0.00841 0.00400 109 4YY -0.00337 0.00503 -0.00023 0.00238 0.00419 110 4ZZ 0.00770 0.00181 0.00520 0.01091 0.00651 111 4XY 0.00000 -0.00159 0.00463 -0.00291 0.00417 112 4XZ 0.00062 -0.00093 0.00024 -0.00081 0.00070 113 4YZ 0.00142 0.00064 -0.00395 0.00346 -0.00200 114 12 O 1S -0.01529 -0.00337 -0.00789 -0.01168 -0.00155 115 2S 0.01622 0.01079 0.00120 0.00267 -0.01658 116 2PX -0.06358 -0.01625 0.03168 -0.03817 0.08688 117 2PY 0.00584 0.01063 -0.00254 -0.00654 0.01408 118 2PZ 0.01216 -0.01184 -0.02431 0.07820 -0.00310 119 3S 0.30424 0.05150 0.18708 0.26322 0.13711 120 3PX -0.06367 0.00621 0.05627 -0.08781 0.07335 121 3PY -0.08538 -0.01605 -0.07600 -0.06457 -0.02656 122 3PZ 0.02836 0.00039 -0.03909 0.09043 -0.02882 123 4XX -0.00937 -0.00098 -0.00650 -0.00841 -0.00400 124 4YY 0.00337 0.00503 0.00023 -0.00238 -0.00419 125 4ZZ -0.00770 0.00181 -0.00520 -0.01091 -0.00651 126 4XY 0.00000 0.00159 0.00463 -0.00291 0.00417 127 4XZ -0.00062 -0.00093 -0.00024 0.00081 -0.00070 128 4YZ 0.00141 -0.00063 -0.00395 0.00346 -0.00200 129 13 C 1S -0.00005 0.08653 0.00002 0.00000 0.00000 130 2S 0.00005 -0.13002 -0.00002 0.00000 0.00000 131 2PX -0.00022 -0.10044 -0.00002 0.00001 -0.00001 132 2PY -0.06102 -0.00001 0.03986 0.02098 0.02272 133 2PZ 0.00004 0.03032 0.00001 -0.00001 0.00005 134 3S 0.00092 -1.04521 -0.00018 -0.00001 0.00009 135 3PX -0.00059 -0.18764 -0.00005 0.00002 -0.00001 136 3PY -0.33066 0.00001 -0.02377 0.26051 -0.03154 137 3PZ 0.00023 0.23086 0.00005 -0.00003 0.00019 138 4XX -0.00001 -0.00367 0.00000 0.00000 0.00000 139 4YY 0.00000 0.01881 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00606 0.00000 0.00000 0.00000 141 4XY -0.00521 0.00000 -0.00230 -0.01055 0.00601 142 4XZ 0.00000 0.00173 0.00000 0.00000 0.00000 143 4YZ 0.01205 0.00000 -0.01292 -0.00986 0.00300 144 14 H 1S 0.00000 0.03825 0.00001 0.00000 0.00001 145 2S -0.00004 0.77187 0.00015 -0.00003 0.00021 146 15 H 1S -0.00004 -0.01986 0.00000 0.00000 0.00000 147 2S -0.00115 0.07573 -0.00001 0.00003 -0.00009 148 16 C 1S 0.04185 -0.08063 0.01364 -0.06185 0.00674 149 2S -0.04342 0.11995 -0.00620 0.11325 -0.01600 150 2PX 0.13888 -0.04126 -0.03226 0.01552 -0.06163 151 2PY 0.12318 -0.09015 0.16842 -0.06650 -0.08611 152 2PZ -0.01391 -0.05146 0.09048 -0.05425 0.02426 153 3S -0.87988 1.16910 -0.59584 0.73746 0.00512 154 3PX 0.29372 -0.10093 -0.01386 0.06210 -0.16952 155 3PY 0.32908 -0.42005 0.31993 -0.45374 -0.25985 156 3PZ -0.13967 -0.19194 0.18309 -0.12767 -0.05467 157 4XX -0.00469 -0.00043 0.00586 -0.00841 0.00508 158 4YY -0.00126 -0.01019 0.00020 0.00477 -0.00289 159 4ZZ 0.01044 -0.00694 -0.00563 -0.01000 0.00102 160 4XY -0.00674 0.00373 0.00158 -0.00602 0.00458 161 4XZ 0.00110 -0.00234 -0.00764 -0.00096 -0.00229 162 4YZ 0.00412 0.01266 -0.00008 -0.00462 -0.00223 163 17 H 1S 0.00358 -0.05236 0.00578 -0.02412 -0.01475 164 2S 0.77921 -1.10687 0.72711 -0.86172 -0.33634 165 18 C 1S -0.02475 0.04075 0.06000 0.06097 -0.01607 166 2S 0.04763 -0.06450 -0.10598 -0.11808 0.01839 167 2PX -0.13078 -0.02468 -0.01408 -0.08478 0.06313 168 2PY -0.00600 0.09203 0.09403 0.03498 -0.03490 169 2PZ -0.00447 -0.07791 -0.14738 -0.02615 0.02742 170 3S 0.21848 -0.70743 -0.86476 -0.59961 0.39025 171 3PX -0.28158 -0.06430 -0.21101 -0.26259 0.13627 172 3PY -0.22318 0.42553 0.27786 0.29271 -0.02945 173 3PZ -0.06828 -0.19708 -0.67885 -0.38394 0.03479 174 4XX -0.00302 0.00318 0.00187 -0.00194 0.00139 175 4YY -0.00715 -0.00434 -0.00062 0.01078 0.00246 176 4ZZ 0.00424 0.00598 0.00640 0.00363 -0.00348 177 4XY 0.00345 0.00015 0.00102 0.00293 -0.00134 178 4XZ -0.00503 0.00518 0.00381 -0.00052 0.00189 179 4YZ -0.00121 0.00199 0.00357 0.00328 0.00083 180 19 H 1S -0.02865 0.03202 0.03909 0.03343 -0.01364 181 2S -0.11264 0.84291 1.27561 0.89476 -0.31141 182 20 C 1S -0.04186 -0.08062 -0.01367 0.06185 -0.00674 183 2S 0.04347 0.11994 0.00625 -0.11325 0.01600 184 2PX -0.13886 -0.04126 0.03225 -0.01552 0.06165 185 2PY 0.12321 0.09008 0.16846 -0.06651 -0.08610 186 2PZ 0.01392 -0.05143 -0.09050 0.05425 -0.02424 187 3S 0.87990 1.16883 0.59629 -0.73746 -0.00522 188 3PX -0.29339 -0.10092 0.01384 -0.06212 0.16963 189 3PY 0.32922 0.41991 0.32009 -0.45376 -0.25976 190 3PZ 0.13956 -0.19187 -0.18317 0.12768 0.05474 191 4XX 0.00469 -0.00043 -0.00586 0.00841 -0.00508 192 4YY 0.00126 -0.01019 -0.00020 -0.00477 0.00289 193 4ZZ -0.01044 -0.00694 0.00563 0.01000 -0.00103 194 4XY -0.00673 -0.00373 0.00158 -0.00602 0.00459 195 4XZ -0.00109 -0.00234 0.00764 0.00096 0.00229 196 4YZ 0.00411 -0.01266 -0.00009 -0.00462 -0.00223 197 21 H 1S -0.00358 -0.05236 -0.00580 0.02412 0.01476 198 2S -0.77937 -1.10656 -0.72754 0.86173 0.33635 199 22 C 1S 0.02476 0.04077 -0.05999 -0.06097 0.01608 200 2S -0.04762 -0.06454 0.10596 0.11808 -0.01840 201 2PX 0.13071 -0.02469 0.01407 0.08478 -0.06312 202 2PY -0.00602 -0.09207 0.09399 0.03498 -0.03490 203 2PZ 0.00446 -0.07797 0.14735 0.02614 -0.02739 204 3S -0.21865 -0.70774 0.86449 0.59961 -0.39026 205 3PX 0.28150 -0.06439 0.21098 0.26259 -0.13625 206 3PY -0.22328 -0.42563 0.27770 0.29272 -0.02945 207 3PZ 0.06824 -0.19734 0.67878 0.38394 -0.03472 208 4XX 0.00302 0.00318 -0.00187 0.00194 -0.00139 209 4YY 0.00716 -0.00434 0.00062 -0.01078 -0.00246 210 4ZZ -0.00423 0.00598 -0.00640 -0.00363 0.00348 211 4XY 0.00345 -0.00015 0.00102 0.00293 -0.00134 212 4XZ 0.00503 0.00518 -0.00381 0.00052 -0.00189 213 4YZ -0.00121 -0.00200 0.00357 0.00328 0.00083 214 23 H 1S 0.02866 0.03203 -0.03907 -0.03343 0.01363 215 2S 0.11285 0.84338 -1.27529 -0.89476 0.31132 61 62 63 64 65 V V V V V Eigenvalues -- 0.17488 0.19698 0.19869 0.20672 0.21914 1 1 C 1S 0.00918 0.00883 0.04938 0.05263 -0.00978 2 2S -0.00275 -0.03118 -0.08305 -0.07289 0.00489 3 2PX -0.08515 -0.05150 -0.07420 -0.04592 0.06118 4 2PY -0.00524 0.01095 -0.08092 -0.05391 0.01669 5 2PZ -0.10690 0.05848 0.01756 0.22232 0.09947 6 3S -0.16824 0.01505 -0.80429 -0.84818 0.11593 7 3PX -0.30162 -0.12479 -0.20461 0.12511 0.20088 8 3PY -0.11381 -0.18980 -0.33375 -0.33048 -0.00492 9 3PZ -0.37658 0.17227 -0.05581 0.77173 0.29326 10 4XX 0.00692 0.00251 0.00869 0.00665 -0.00511 11 4YY -0.00179 0.00627 -0.01090 0.00813 0.00360 12 4ZZ -0.00207 -0.00757 0.00821 -0.00213 -0.00163 13 4XY 0.01066 -0.00231 0.00898 -0.00095 -0.00207 14 4XZ 0.00370 -0.00065 0.01061 0.00436 -0.00596 15 4YZ 0.02257 0.00264 0.00417 0.00847 -0.01121 16 2 C 1S 0.00918 -0.00883 0.04938 -0.05263 -0.00978 17 2S -0.00275 0.03117 -0.08306 0.07289 0.00489 18 2PX -0.08511 0.05149 -0.07421 0.04592 0.06118 19 2PY 0.00522 0.01097 0.08092 -0.05391 -0.01669 20 2PZ -0.10693 -0.05848 0.01758 -0.22232 0.09946 21 3S -0.16837 -0.01515 -0.80432 0.84814 0.11596 22 3PX -0.30156 0.12477 -0.20463 -0.12511 0.20087 23 3PY 0.11371 -0.18975 0.33379 -0.33047 0.00491 24 3PZ -0.37665 -0.17229 -0.05575 -0.77174 0.29324 25 4XX 0.00692 -0.00251 0.00869 -0.00665 -0.00511 26 4YY -0.00179 -0.00627 -0.01090 -0.00813 0.00360 27 4ZZ -0.00207 0.00757 0.00821 0.00213 -0.00163 28 4XY -0.01066 -0.00231 -0.00898 -0.00095 0.00206 29 4XZ 0.00370 0.00065 0.01061 -0.00436 -0.00596 30 4YZ -0.02257 0.00264 -0.00417 0.00847 0.01121 31 3 C 1S -0.05320 0.00201 -0.08213 0.00612 0.05825 32 2S 0.06973 0.01931 0.11825 -0.02140 -0.09933 33 2PX -0.02667 -0.06045 0.03834 -0.00372 -0.01229 34 2PY 0.06552 -0.00457 0.14429 -0.05470 -0.08913 35 2PZ -0.04210 0.09506 0.04169 0.10296 -0.06146 36 3S 0.94117 -0.20655 1.39927 -0.02890 -0.90678 37 3PX -0.07251 -0.07079 0.08463 -0.07746 -0.05312 38 3PY 0.13529 0.13366 0.34130 -0.13656 -0.40885 39 3PZ -0.06049 0.15507 0.11278 0.15538 -0.19619 40 4XX 0.00445 -0.00291 -0.00325 -0.00093 0.00385 41 4YY -0.01241 0.00115 -0.00330 -0.00686 0.00909 42 4ZZ 0.00003 0.00157 -0.00752 0.00978 -0.00091 43 4XY 0.00527 -0.00179 -0.00098 0.00128 -0.00289 44 4XZ -0.00481 0.00203 -0.01416 0.00433 0.00506 45 4YZ -0.00065 -0.00023 -0.00260 -0.00343 0.00078 46 4 C 1S 0.01862 0.01414 0.04065 0.02839 -0.03020 47 2S -0.02030 -0.01926 -0.07482 -0.04585 0.02122 48 2PX -0.00218 0.01914 0.10561 -0.03091 -0.03036 49 2PY 0.04406 0.00940 0.04908 -0.02656 -0.04197 50 2PZ 0.03224 -0.06886 0.11097 -0.08148 -0.06301 51 3S -0.36641 -0.28668 -0.67170 -0.49522 0.64600 52 3PX 0.07523 0.00237 0.31275 -0.21420 -0.24231 53 3PY 0.16555 0.00634 0.32887 -0.03576 -0.27192 54 3PZ 0.09838 -0.18686 0.39062 -0.37340 -0.25876 55 4XX -0.00097 0.00489 0.00431 -0.00172 -0.00570 56 4YY -0.00297 0.00381 -0.01259 0.01424 0.00372 57 4ZZ 0.00548 -0.00455 0.01065 -0.00732 -0.00758 58 4XY 0.00512 0.00086 0.01735 0.00407 -0.01274 59 4XZ 0.00085 0.00107 0.01038 -0.00332 -0.00821 60 4YZ 0.00709 0.00357 0.01786 0.00447 -0.01255 61 5 C 1S 0.01864 -0.01414 0.04066 -0.02839 -0.03020 62 2S -0.02034 0.01925 -0.07482 0.04585 0.02123 63 2PX -0.00222 -0.01913 0.10562 0.03092 -0.03036 64 2PY -0.04409 0.00940 -0.04907 -0.02656 0.04197 65 2PZ 0.03223 0.06887 0.11095 0.08148 -0.06300 66 3S -0.36657 0.28659 -0.67176 0.49517 0.64601 67 3PX 0.07503 -0.00233 0.31275 0.21422 -0.24230 68 3PY -0.16570 0.00629 -0.32886 -0.03578 0.27191 69 3PZ 0.09824 0.18691 0.39059 0.37342 -0.25874 70 4XX -0.00097 -0.00489 0.00431 0.00172 -0.00570 71 4YY -0.00297 -0.00381 -0.01258 -0.01424 0.00372 72 4ZZ 0.00548 0.00455 0.01064 0.00732 -0.00758 73 4XY -0.00512 0.00086 -0.01735 0.00407 0.01274 74 4XZ 0.00085 -0.00107 0.01038 0.00332 -0.00821 75 4YZ -0.00709 0.00357 -0.01786 0.00447 0.01255 76 6 C 1S -0.05321 -0.00202 -0.08213 -0.00613 0.05825 77 2S 0.06974 -0.01929 0.11825 0.02140 -0.09932 78 2PX -0.02662 0.06046 0.03833 0.00373 -0.01229 79 2PY -0.06555 -0.00459 -0.14429 -0.05471 0.08913 80 2PZ -0.04211 -0.09506 0.04171 -0.10295 -0.06146 81 3S 0.94115 0.20674 1.39925 0.02898 -0.90678 82 3PX -0.07246 0.07080 0.08462 0.07747 -0.05313 83 3PY -0.13524 0.13361 -0.34131 -0.13659 0.40884 84 3PZ -0.06052 -0.15506 0.11281 -0.15537 -0.19620 85 4XX 0.00445 0.00291 -0.00325 0.00093 0.00385 86 4YY -0.01241 -0.00115 -0.00330 0.00686 0.00909 87 4ZZ 0.00002 -0.00157 -0.00752 -0.00979 -0.00091 88 4XY -0.00527 -0.00179 0.00098 0.00128 0.00289 89 4XZ -0.00481 -0.00203 -0.01416 -0.00433 0.00506 90 4YZ 0.00065 -0.00023 0.00260 -0.00343 -0.00078 91 7 H 1S -0.07503 -0.00937 0.03337 0.03974 0.02178 92 2S -0.48679 0.19255 0.49389 1.31420 0.35459 93 8 H 1S -0.07504 0.00938 0.03337 -0.03974 0.02178 94 2S -0.48683 -0.19250 0.49397 -1.31419 0.35455 95 9 H 1S -0.00840 0.00936 -0.03368 -0.00217 0.01654 96 2S 0.13197 0.27007 -0.10297 0.52918 -0.03845 97 10 H 1S -0.00838 -0.00936 -0.03368 0.00217 0.01654 98 2S 0.13238 -0.27008 -0.10292 -0.52919 -0.03847 99 11 O 1S 0.01219 -0.00751 0.00844 0.00839 0.00022 100 2S -0.02481 0.00275 -0.01271 -0.02186 0.00521 101 2PX 0.02670 0.00412 -0.00369 0.01112 0.00536 102 2PY -0.05752 0.01765 -0.04850 -0.01741 0.03934 103 2PZ -0.00329 -0.03214 -0.00167 -0.08465 0.01797 104 3S -0.15460 0.17226 -0.11724 -0.09609 -0.06583 105 3PX 0.02831 0.02079 -0.02389 0.03034 0.01475 106 3PY -0.10883 0.07423 -0.10133 -0.04551 0.02055 107 3PZ 0.01431 -0.04726 -0.02517 -0.07736 0.03786 108 4XX 0.00470 -0.00601 0.00258 0.00170 0.00339 109 4YY 0.00046 -0.00151 0.00094 -0.00317 -0.00436 110 4ZZ -0.00003 -0.00451 0.00305 0.00013 0.00280 111 4XY 0.00021 -0.00246 0.00181 0.00031 0.00073 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 -0.00839 0.00022 115 2S -0.02480 -0.00276 -0.01271 0.02186 0.00521 116 2PX 0.02667 -0.00412 -0.00369 -0.01113 0.00536 117 2PY 0.05752 0.01766 0.04850 -0.01741 -0.03934 118 2PZ -0.00329 0.03214 -0.00168 0.08465 0.01797 119 3S -0.15463 -0.17228 -0.11722 0.09610 -0.06582 120 3PX 0.02829 -0.02079 -0.02388 -0.03034 0.01475 121 3PY 0.10883 0.07424 0.10132 -0.04551 -0.02055 122 3PZ 0.01432 0.04725 -0.02518 0.07736 0.03786 123 4XX 0.00470 0.00601 0.00258 -0.00170 0.00339 124 4YY 0.00046 0.00151 0.00094 0.00317 -0.00436 125 4ZZ -0.00003 0.00451 0.00305 -0.00013 0.00280 126 4XY -0.00021 -0.00246 -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 0.00057 129 13 C 1S -0.02507 0.00000 -0.06706 0.00000 -0.06409 130 2S -0.00372 0.00000 0.03924 0.00000 0.05815 131 2PX -0.05442 0.00000 0.05309 0.00000 0.19208 132 2PY -0.00001 0.27237 -0.00001 -0.17775 0.00000 133 2PZ 0.32880 -0.00001 -0.14687 0.00000 0.02320 134 3S 0.65663 0.00009 1.60045 0.00002 1.41676 135 3PX -0.04109 0.00002 0.61921 0.00000 0.97615 136 3PY 0.00000 1.22568 -0.00006 -0.47845 0.00000 137 3PZ 1.30473 0.00000 -0.15763 -0.00001 0.35802 138 4XX 0.00265 0.00000 0.00384 0.00000 -0.00119 139 4YY -0.01785 0.00000 -0.00538 0.00000 -0.02307 140 4ZZ 0.01100 0.00000 -0.00894 0.00000 0.01585 141 4XY 0.00000 -0.01742 0.00000 0.00254 0.00000 142 4XZ -0.00563 0.00000 -0.01063 0.00000 -0.00551 143 4YZ 0.00000 -0.02517 0.00000 0.01060 0.00000 144 14 H 1S 0.08485 0.00000 -0.04764 0.00000 0.09105 145 2S 1.39656 -0.00005 -1.01222 -0.00003 -0.09133 146 15 H 1S 0.00918 0.00000 0.05721 0.00000 0.04388 147 2S -0.65841 0.00000 0.20081 -0.00001 0.51063 148 16 C 1S 0.01466 -0.04841 0.00870 0.03571 -0.00939 149 2S -0.00241 0.05917 -0.00115 -0.06465 0.02196 150 2PX 0.07677 -0.10699 -0.00359 0.11666 0.04796 151 2PY -0.02355 0.21263 -0.09544 0.04573 -0.10920 152 2PZ 0.07434 -0.08164 0.04576 -0.02235 0.19151 153 3S -0.39502 1.02090 -0.26329 -0.51216 0.18841 154 3PX 0.39867 -0.29821 0.10291 0.29557 0.30569 155 3PY -0.31762 0.81483 -0.59662 0.30701 -0.60615 156 3PZ 0.24461 -0.11209 0.28597 0.28647 0.95198 157 4XX 0.00182 -0.00733 -0.00259 -0.00126 -0.00245 158 4YY 0.01112 0.00889 -0.00170 -0.00062 0.01190 159 4ZZ -0.01199 -0.01040 0.00377 0.00707 -0.01222 160 4XY -0.01389 0.00731 0.00378 -0.00658 -0.00521 161 4XZ -0.00684 -0.00204 -0.00073 0.00691 -0.01058 162 4YZ -0.00354 0.01932 -0.00641 -0.00546 -0.01630 163 17 H 1S 0.03256 0.09217 0.00220 0.01004 0.01879 164 2S 0.06004 0.53557 -0.37880 0.63101 -0.34736 165 18 C 1S 0.00847 -0.04454 0.01131 -0.00424 0.04189 166 2S -0.01080 0.08845 -0.00809 0.03237 -0.07345 167 2PX 0.03721 0.07136 -0.02361 -0.05887 0.03973 168 2PY 0.00935 0.14012 0.08079 -0.04484 0.07885 169 2PZ 0.10472 0.04173 -0.04694 0.02596 0.09333 170 3S -0.03372 0.58263 -0.34467 -0.46337 -0.96729 171 3PX 0.05120 0.29797 -0.06152 -0.02807 0.10343 172 3PY 0.00465 0.50026 0.24879 -0.47638 0.45056 173 3PZ 0.22493 0.49747 -0.17806 0.25098 0.38931 174 4XX 0.00220 0.00471 0.00040 -0.00075 0.00250 175 4YY 0.00122 -0.02699 0.00672 -0.00040 -0.00267 176 4ZZ 0.00348 0.01355 -0.00646 -0.00517 0.00116 177 4XY -0.00540 -0.00340 0.00069 0.00058 0.00827 178 4XZ 0.00476 0.00910 -0.00194 -0.00889 0.00274 179 4YZ 0.01011 -0.01043 0.00617 -0.00206 0.02333 180 19 H 1S -0.02737 0.04072 -0.02448 -0.03372 -0.06706 181 2S -0.29733 -0.30265 0.43818 -0.33639 0.16190 182 20 C 1S 0.01466 0.04841 0.00869 -0.03571 -0.00939 183 2S -0.00241 -0.05917 -0.00114 0.06465 0.02196 184 2PX 0.07675 0.10699 -0.00360 -0.11666 0.04796 185 2PY 0.02357 0.21264 0.09541 0.04574 0.10920 186 2PZ 0.07434 0.08164 0.04574 0.02234 0.19151 187 3S -0.39501 -1.02093 -0.26319 0.51214 0.18840 188 3PX 0.39861 0.29822 0.10289 -0.29557 0.30568 189 3PY 0.31767 0.81489 0.59651 0.30702 0.60618 190 3PZ 0.24460 0.11212 0.28596 -0.28650 0.95196 191 4XX 0.00182 0.00732 -0.00259 0.00126 -0.00245 192 4YY 0.01112 -0.00889 -0.00169 0.00062 0.01190 193 4ZZ -0.01199 0.01040 0.00377 -0.00707 -0.01222 194 4XY 0.01389 0.00731 -0.00378 -0.00658 0.00521 195 4XZ -0.00684 0.00204 -0.00073 -0.00691 -0.01058 196 4YZ 0.00354 0.01933 0.00641 -0.00546 0.01630 197 21 H 1S 0.03256 -0.09217 0.00221 -0.01004 0.01878 198 2S 0.05997 -0.53561 -0.37871 -0.63103 -0.34739 199 22 C 1S 0.00847 0.04454 0.01130 0.00424 0.04189 200 2S -0.01079 -0.08845 -0.00808 -0.03237 -0.07345 201 2PX 0.03723 -0.07136 -0.02360 0.05886 0.03973 202 2PY -0.00934 0.14011 -0.08081 -0.04484 -0.07885 203 2PZ 0.10472 -0.04173 -0.04694 -0.02597 0.09333 204 3S -0.03360 -0.58267 -0.34462 0.46338 -0.96728 205 3PX 0.05125 -0.29798 -0.06149 0.02806 0.10343 206 3PY -0.00464 0.50023 -0.24884 -0.47638 -0.45057 207 3PZ 0.22496 -0.49749 -0.17799 -0.25100 0.38929 208 4XX 0.00220 -0.00471 0.00040 0.00075 0.00250 209 4YY 0.00122 0.02699 0.00672 0.00040 -0.00267 210 4ZZ 0.00348 -0.01355 -0.00646 0.00517 0.00116 211 4XY 0.00540 -0.00340 -0.00069 0.00058 -0.00827 212 4XZ 0.00476 -0.00910 -0.00194 0.00889 0.00274 213 4YZ -0.01011 -0.01044 -0.00617 -0.00206 -0.02333 214 23 H 1S -0.02738 -0.04073 -0.02448 0.03372 -0.06706 215 2S -0.29744 0.30270 0.43814 0.33641 0.16192 66 67 68 69 70 V V V V V Eigenvalues -- 0.25273 0.26948 0.29516 0.31833 0.33572 1 1 C 1S 0.04402 -0.00968 0.00556 -0.05762 0.00991 2 2S -0.09394 0.01512 0.00429 0.04576 0.01898 3 2PX -0.05074 0.00615 0.05774 0.09830 0.08087 4 2PY 0.19629 0.06453 0.08095 0.08903 0.12896 5 2PZ 0.05462 -0.01861 -0.03599 0.03776 -0.01787 6 3S -0.42426 0.26999 -0.33099 1.52669 -0.68431 7 3PX 0.43224 -0.03341 -0.43011 0.35729 -0.04629 8 3PY 0.73244 0.30970 0.06585 0.75774 0.93093 9 3PZ 0.54574 -0.14229 -0.35818 0.30857 -0.04727 10 4XX -0.00574 -0.00704 0.00851 -0.00636 -0.00190 11 4YY 0.03274 -0.00656 -0.00825 0.00082 0.01586 12 4ZZ -0.01839 0.01241 0.00530 -0.00308 -0.00628 13 4XY 0.00014 -0.00804 -0.01000 -0.03312 0.00576 14 4XZ -0.00948 0.00106 0.02142 -0.00579 0.00030 15 4YZ 0.00319 -0.01390 -0.00443 -0.03000 -0.00050 16 2 C 1S -0.04402 -0.00968 0.00556 -0.05762 -0.00991 17 2S 0.09394 0.01512 0.00428 0.04576 -0.01898 18 2PX 0.05074 0.00615 0.05774 0.09831 -0.08087 19 2PY 0.19629 -0.06453 -0.08095 -0.08904 0.12895 20 2PZ -0.05462 -0.01860 -0.03598 0.03776 0.01787 21 3S 0.42425 0.27000 -0.33101 1.52664 0.68440 22 3PX -0.43225 -0.03339 -0.43011 0.35730 0.04631 23 3PY 0.73244 -0.30969 -0.06586 -0.75779 0.93089 24 3PZ -0.54574 -0.14227 -0.35818 0.30856 0.04729 25 4XX 0.00574 -0.00704 0.00851 -0.00636 0.00189 26 4YY -0.03274 -0.00656 -0.00825 0.00082 -0.01586 27 4ZZ 0.01839 0.01241 0.00530 -0.00308 0.00628 28 4XY 0.00014 0.00804 0.01000 0.03312 0.00576 29 4XZ 0.00948 0.00106 0.02142 -0.00579 -0.00030 30 4YZ 0.00319 0.01390 0.00443 0.03000 -0.00050 31 3 C 1S -0.00821 -0.00967 0.02979 0.02474 -0.03582 32 2S 0.01794 0.05931 -0.00262 -0.05519 -0.01059 33 2PX -0.04407 0.08556 -0.08277 0.31835 0.05726 34 2PY 0.13845 0.07932 0.11028 -0.00889 0.00555 35 2PZ 0.08076 0.17329 -0.09217 0.26125 0.02028 36 3S 0.49494 -0.04076 -0.84305 -0.39755 1.05646 37 3PX -0.24258 0.23548 -0.46661 0.94437 0.06507 38 3PY 1.30265 0.88396 1.64219 0.02448 -0.52906 39 3PZ 0.22704 0.46115 -0.10612 0.95432 0.00383 40 4XX -0.01599 -0.00169 -0.00906 0.00183 -0.00411 41 4YY 0.02280 -0.00056 0.00541 0.00197 0.00476 42 4ZZ -0.01462 -0.00170 -0.00626 -0.00258 -0.00902 43 4XY -0.00729 -0.00066 0.00023 -0.00600 -0.00792 44 4XZ -0.00307 0.00787 0.01386 0.00581 -0.02221 45 4YZ -0.00004 -0.00010 0.00132 -0.00517 -0.00634 46 4 C 1S -0.01296 0.02519 -0.01495 0.03097 0.01683 47 2S 0.07116 0.00109 0.04973 -0.01401 -0.07230 48 2PX 0.06788 0.02342 -0.00338 0.02488 0.07979 49 2PY 0.11384 -0.02071 -0.12878 0.03394 0.02479 50 2PZ 0.00262 0.01210 -0.02321 0.02212 0.12900 51 3S -0.12881 -0.70162 0.32610 -1.09230 0.34636 52 3PX 0.64412 0.31952 0.23767 0.19787 0.16029 53 3PY 0.34091 0.25266 -0.41937 0.59061 0.42563 54 3PZ 0.52292 0.36320 0.19730 0.29142 0.22049 55 4XX 0.01454 0.00705 0.01100 -0.00146 -0.00352 56 4YY -0.01973 -0.00306 -0.00554 0.00261 0.00220 57 4ZZ 0.00892 0.00958 0.00914 0.00471 0.00087 58 4XY -0.00327 0.00920 -0.02001 0.01684 -0.00188 59 4XZ 0.01284 0.01387 0.01555 0.00384 0.00512 60 4YZ -0.00083 0.00927 -0.02309 0.02471 -0.00527 61 5 C 1S 0.01296 0.02519 -0.01495 0.03097 -0.01683 62 2S -0.07116 0.00109 0.04973 -0.01401 0.07230 63 2PX -0.06788 0.02342 -0.00339 0.02489 -0.07979 64 2PY 0.11384 0.02071 0.12878 -0.03394 0.02479 65 2PZ -0.00262 0.01210 -0.02321 0.02213 -0.12900 66 3S 0.12882 -0.70163 0.32610 -1.09228 -0.34642 67 3PX -0.64412 0.31953 0.23765 0.19788 -0.16029 68 3PY 0.34091 -0.25266 0.41937 -0.59062 0.42559 69 3PZ -0.52292 0.36321 0.19730 0.29143 -0.22047 70 4XX -0.01454 0.00705 0.01100 -0.00146 0.00352 71 4YY 0.01973 -0.00306 -0.00553 0.00261 -0.00220 72 4ZZ -0.00892 0.00958 0.00914 0.00471 -0.00087 73 4XY -0.00327 -0.00920 0.02001 -0.01684 -0.00188 74 4XZ -0.01283 0.01387 0.01555 0.00384 -0.00512 75 4YZ -0.00083 -0.00927 0.02309 -0.02471 -0.00528 76 6 C 1S 0.00820 -0.00967 0.02979 0.02474 0.03583 77 2S -0.01794 0.05931 -0.00262 -0.05519 0.01059 78 2PX 0.04407 0.08557 -0.08277 0.31835 -0.05725 79 2PY 0.13845 -0.07932 -0.11028 0.00889 0.00555 80 2PZ -0.08077 0.17329 -0.09217 0.26125 -0.02026 81 3S -0.49495 -0.04075 -0.84306 -0.39749 -1.05647 82 3PX 0.24256 0.23549 -0.46659 0.94437 -0.06501 83 3PY 1.30264 -0.88397 -1.64219 -0.02442 -0.52905 84 3PZ -0.22704 0.46115 -0.10612 0.95432 -0.00378 85 4XX 0.01599 -0.00169 -0.00906 0.00183 0.00412 86 4YY -0.02280 -0.00056 0.00541 0.00197 -0.00476 87 4ZZ 0.01462 -0.00170 -0.00626 -0.00258 0.00902 88 4XY -0.00729 0.00066 -0.00023 0.00600 -0.00792 89 4XZ 0.00307 0.00787 0.01386 0.00581 0.02221 90 4YZ -0.00004 0.00010 -0.00132 0.00517 -0.00634 91 7 H 1S -0.04720 0.06456 0.04592 0.06887 -0.01919 92 2S 0.17072 -0.20814 -0.32524 -0.39844 -0.33370 93 8 H 1S 0.04720 0.06456 0.04592 0.06887 0.01919 94 2S -0.17071 -0.20812 -0.32523 -0.39845 0.33368 95 9 H 1S 0.05900 -0.00265 0.10356 -0.06978 0.02970 96 2S -0.24931 -0.06428 -0.49231 0.22249 -0.17867 97 10 H 1S -0.05900 -0.00265 0.10356 -0.06978 -0.02971 98 2S 0.24930 -0.06428 -0.49230 0.22247 0.17868 99 11 O 1S -0.05912 -0.03431 -0.07691 -0.00772 0.02620 100 2S 0.09243 0.02617 0.06727 0.01148 -0.00185 101 2PX -0.01309 -0.02892 0.01220 -0.06435 -0.00941 102 2PY 0.11376 0.03241 0.10482 0.02129 -0.02667 103 2PZ -0.02654 -0.02406 0.02446 -0.07087 -0.01682 104 3S 0.98622 0.72118 1.57263 0.11276 -0.67021 105 3PX -0.04018 -0.10313 -0.03241 -0.21453 0.01284 106 3PY 0.40875 0.27116 0.63875 0.05685 -0.27282 107 3PZ -0.01259 -0.06635 0.11389 -0.19206 -0.04536 108 4XX -0.02356 -0.02321 -0.04470 -0.00270 0.01847 109 4YY 0.00389 0.00201 0.00078 -0.00037 0.00395 110 4ZZ -0.02480 -0.02235 -0.04830 -0.00405 0.02107 111 4XY -0.00406 -0.00264 -0.00856 0.00601 0.00792 112 4XZ -0.00665 -0.00028 0.00092 0.00094 -0.00890 113 4YZ 0.00504 0.00638 0.00309 0.00479 -0.00152 114 12 O 1S 0.05912 -0.03431 -0.07691 -0.00772 -0.02620 115 2S -0.09243 0.02617 0.06727 0.01148 0.00185 116 2PX 0.01309 -0.02892 0.01220 -0.06435 0.00941 117 2PY 0.11376 -0.03241 -0.10483 -0.02129 -0.02667 118 2PZ 0.02654 -0.02406 0.02446 -0.07087 0.01682 119 3S -0.98621 0.72119 1.57263 0.11271 0.67019 120 3PX 0.04018 -0.10313 -0.03240 -0.21452 -0.01284 121 3PY 0.40875 -0.27117 -0.63876 -0.05683 -0.27281 122 3PZ 0.01259 -0.06636 0.11389 -0.19206 0.04535 123 4XX 0.02356 -0.02321 -0.04470 -0.00270 -0.01847 124 4YY -0.00389 0.00201 0.00078 -0.00037 -0.00395 125 4ZZ 0.02480 -0.02235 -0.04830 -0.00405 -0.02107 126 4XY -0.00406 0.00264 0.00856 -0.00601 0.00792 127 4XZ 0.00665 -0.00028 0.00092 0.00094 0.00890 128 4YZ 0.00504 -0.00638 -0.00309 -0.00479 -0.00152 129 13 C 1S 0.00000 0.03834 -0.03750 -0.02887 0.00000 130 2S 0.00000 0.06117 0.02297 -0.01703 0.00000 131 2PX 0.00000 -0.03652 -0.01876 0.11443 0.00000 132 2PY -0.01070 0.00000 0.00000 0.00000 -0.05294 133 2PZ 0.00000 -0.02390 0.06001 0.07161 0.00000 134 3S -0.00001 -1.48059 0.99212 0.96574 0.00004 135 3PX 0.00000 -0.77243 0.42879 0.72517 0.00002 136 3PY -0.25764 0.00000 0.00001 -0.00002 0.92073 137 3PZ -0.00001 -1.11087 0.61068 0.91010 0.00004 138 4XX 0.00000 0.00938 0.01231 -0.01988 0.00000 139 4YY 0.00000 -0.01080 -0.01197 -0.00161 0.00000 140 4ZZ 0.00000 0.00699 0.00086 0.01860 0.00000 141 4XY -0.00467 0.00000 0.00000 0.00000 -0.02536 142 4XZ 0.00000 0.01651 -0.01668 -0.00525 0.00000 143 4YZ 0.01297 0.00000 0.00000 0.00000 -0.02281 144 14 H 1S 0.00000 0.01246 0.00384 0.10434 0.00000 145 2S 0.00000 -0.32039 0.15122 0.56593 0.00003 146 15 H 1S 0.00000 -0.02730 0.07745 -0.02387 0.00000 147 2S 0.00000 -0.10332 -0.12790 0.26103 0.00000 148 16 C 1S 0.01580 -0.05957 0.03893 0.03967 -0.04104 149 2S 0.00722 0.03302 0.00200 -0.02130 -0.04270 150 2PX 0.08973 0.05560 0.08499 -0.01346 -0.11697 151 2PY -0.00034 0.10733 -0.07840 -0.07534 0.13503 152 2PZ 0.00817 0.15663 -0.03215 -0.06721 -0.14644 153 3S -0.44631 1.87532 -1.04170 -1.24892 1.48661 154 3PX 0.07733 -0.00777 0.03915 0.04104 0.02514 155 3PY -0.03593 1.27574 -0.55638 -0.83229 1.16595 156 3PZ 0.01555 0.78110 -0.15639 -0.17613 0.52772 157 4XX -0.00271 -0.00840 -0.00602 0.00906 -0.00318 158 4YY 0.00283 0.01041 0.01024 0.00050 0.00031 159 4ZZ 0.00633 -0.00643 0.00687 -0.00605 -0.00586 160 4XY 0.00984 0.00620 0.00164 -0.00896 -0.01061 161 4XZ 0.00451 0.00667 0.00002 -0.00915 -0.00109 162 4YZ -0.00262 -0.00413 0.00299 -0.00026 -0.02427 163 17 H 1S 0.02511 0.02812 0.06480 -0.00636 -0.04435 164 2S 0.17973 0.68047 -0.14014 -0.34202 0.56758 165 18 C 1S 0.01147 0.04228 -0.01007 -0.01458 0.06945 166 2S -0.00681 -0.01516 0.03162 -0.02766 -0.03587 167 2PX -0.01029 0.03244 0.01416 0.03990 0.03861 168 2PY -0.01332 -0.05201 0.00453 0.04237 -0.11112 169 2PZ -0.05639 0.08463 -0.07029 0.00531 0.12048 170 3S -0.16886 -1.28665 0.29858 0.56772 -2.99065 171 3PX -0.16790 0.25431 -0.14369 -0.14362 0.43299 172 3PY -0.02423 0.25583 0.01570 -0.07312 -2.10010 173 3PZ -0.19697 1.04512 -0.40929 -0.54617 1.17293 174 4XX -0.00169 -0.00435 0.00053 0.00477 0.00932 175 4YY 0.00578 -0.01455 0.00901 0.00639 0.00020 176 4ZZ 0.00294 0.02749 -0.00358 -0.01782 -0.02103 177 4XY 0.00094 0.01156 -0.00293 -0.00409 -0.00278 178 4XZ -0.00561 -0.00088 -0.00310 0.00020 -0.00629 179 4YZ 0.00185 0.01114 -0.01099 -0.00457 -0.00927 180 19 H 1S 0.00756 -0.00737 0.04298 0.00883 -0.01398 181 2S 0.25956 -0.30956 0.24595 0.18031 -1.01852 182 20 C 1S -0.01580 -0.05957 0.03893 0.03967 0.04104 183 2S -0.00722 0.03302 0.00200 -0.02130 0.04269 184 2PX -0.08973 0.05560 0.08499 -0.01346 0.11696 185 2PY -0.00034 -0.10733 0.07840 0.07533 0.13503 186 2PZ -0.00817 0.15663 -0.03215 -0.06722 0.14643 187 3S 0.44634 1.87530 -1.04172 -1.24886 -1.48671 188 3PX -0.07733 -0.00777 0.03915 0.04104 -0.02514 189 3PY -0.03595 -1.27573 0.55639 0.83223 1.16602 190 3PZ -0.01554 0.78110 -0.15638 -0.17611 -0.52775 191 4XX 0.00271 -0.00840 -0.00602 0.00906 0.00318 192 4YY -0.00283 0.01041 0.01024 0.00050 -0.00031 193 4ZZ -0.00633 -0.00643 0.00687 -0.00605 0.00586 194 4XY 0.00984 -0.00620 -0.00164 0.00896 -0.01061 195 4XZ -0.00451 0.00667 0.00002 -0.00915 0.00108 196 4YZ -0.00262 0.00413 -0.00299 0.00026 -0.02427 197 21 H 1S -0.02511 0.02812 0.06480 -0.00636 0.04435 198 2S -0.17973 0.68047 -0.14014 -0.34199 -0.56761 199 22 C 1S -0.01147 0.04227 -0.01007 -0.01458 -0.06945 200 2S 0.00681 -0.01516 0.03162 -0.02766 0.03587 201 2PX 0.01029 0.03244 0.01416 0.03990 -0.03861 202 2PY -0.01332 0.05201 -0.00453 -0.04237 -0.11113 203 2PZ 0.05639 0.08462 -0.07029 0.00532 -0.12048 204 3S 0.16885 -1.28662 0.29859 0.56759 2.99071 205 3PX 0.16790 0.25432 -0.14369 -0.14360 -0.43301 206 3PY -0.02423 -0.25585 -0.01572 0.07322 -2.10010 207 3PZ 0.19698 1.04509 -0.40930 -0.54611 -1.17296 208 4XX 0.00169 -0.00435 0.00053 0.00477 -0.00932 209 4YY -0.00578 -0.01455 0.00901 0.00639 -0.00020 210 4ZZ -0.00294 0.02749 -0.00357 -0.01782 0.02103 211 4XY 0.00094 -0.01156 0.00293 0.00409 -0.00278 212 4XZ 0.00561 -0.00088 -0.00310 0.00019 0.00629 213 4YZ 0.00185 -0.01114 0.01099 0.00457 -0.00926 214 23 H 1S -0.00756 -0.00737 0.04298 0.00883 0.01398 215 2S -0.25957 -0.30954 0.24596 0.18026 1.01854 71 72 73 74 75 V V V V V Eigenvalues -- 0.34535 0.36194 0.37929 0.43080 0.44857 1 1 C 1S 0.09233 0.02305 -0.01159 0.00427 0.07170 2 2S -0.12109 -0.10195 -0.01763 -0.17173 0.01282 3 2PX -0.10775 -0.17030 -0.05042 -0.03745 0.03549 4 2PY 0.15512 -0.09340 -0.05694 0.04319 0.16251 5 2PZ -0.14763 -0.17503 0.02242 -0.15256 -0.01334 6 3S -1.99460 0.43883 0.48324 0.12876 -2.96169 7 3PX -0.46275 -0.61080 0.27690 -0.02586 -0.74119 8 3PY 1.39923 -0.93026 -0.24828 -0.09081 1.99890 9 3PZ -0.63653 -0.56157 0.24421 0.02013 -0.79319 10 4XX -0.00789 0.00199 -0.00753 -0.00922 -0.00277 11 4YY 0.02734 -0.00489 -0.00965 -0.02850 0.01289 12 4ZZ -0.00722 0.00216 0.01062 0.01616 -0.00615 13 4XY 0.00053 -0.00643 -0.00395 -0.01383 0.00291 14 4XZ 0.00637 0.00483 -0.00665 -0.00922 0.01025 15 4YZ -0.00204 -0.00054 0.00064 -0.01291 -0.00180 16 2 C 1S -0.09233 -0.02305 0.01159 0.00427 -0.07170 17 2S 0.12109 0.10195 0.01763 -0.17173 -0.01282 18 2PX 0.10775 0.17030 0.05043 -0.03745 -0.03549 19 2PY 0.15512 -0.09340 -0.05693 -0.04319 0.16251 20 2PZ 0.14764 0.17503 -0.02242 -0.15256 0.01334 21 3S 1.99460 -0.43886 -0.48324 0.12881 2.96169 22 3PX 0.46273 0.61080 -0.27689 -0.02585 0.74118 23 3PY 1.39924 -0.93024 -0.24828 0.09084 1.99891 24 3PZ 0.63652 0.56157 -0.24421 0.02015 0.79318 25 4XX 0.00789 -0.00199 0.00753 -0.00922 0.00277 26 4YY -0.02734 0.00489 0.00965 -0.02850 -0.01289 27 4ZZ 0.00722 -0.00216 -0.01062 0.01616 0.00615 28 4XY 0.00053 -0.00643 -0.00395 0.01383 0.00291 29 4XZ -0.00637 -0.00483 0.00665 -0.00922 -0.01025 30 4YZ -0.00204 -0.00054 0.00064 0.01291 -0.00180 31 3 C 1S 0.02377 0.09916 -0.00138 0.00476 0.07622 32 2S -0.03237 -0.04338 0.03048 -0.24962 -0.26794 33 2PX 0.11448 0.02650 -0.06564 0.10017 -0.13355 34 2PY -0.05264 0.02685 0.00283 -0.05620 -0.13276 35 2PZ 0.11913 0.01101 -0.04409 -0.17055 -0.12544 36 3S -0.59577 -2.63762 -0.08060 0.42902 -1.02153 37 3PX 0.12335 -0.03399 -0.19610 -0.07740 -0.10999 38 3PY -0.47707 0.43679 0.40140 -0.09893 -2.43305 39 3PZ -0.05912 0.05139 -0.12158 0.07286 -0.52290 40 4XX -0.00031 0.00164 -0.00217 -0.01491 -0.02218 41 4YY -0.00117 0.01085 -0.00529 -0.00069 0.04155 42 4ZZ 0.00579 0.00507 0.01099 -0.02841 -0.02253 43 4XY -0.02334 -0.00488 0.00271 0.00008 -0.00156 44 4XZ 0.00364 0.03764 0.01204 -0.03320 -0.02496 45 4YZ -0.02250 0.00642 -0.00232 0.00216 0.01658 46 4 C 1S 0.06708 -0.02624 0.00921 -0.00696 -0.11289 47 2S -0.11367 0.13160 0.01616 -0.31651 0.03851 48 2PX 0.08274 -0.18300 -0.00113 0.26931 -0.05884 49 2PY -0.18421 -0.09946 -0.04387 -0.11685 0.15872 50 2PZ 0.07461 -0.15414 -0.04378 -0.11174 -0.13728 51 3S -1.59300 -0.41065 -0.76040 0.29582 3.68810 52 3PX -0.02638 -0.44413 0.02507 -0.16934 -1.24980 53 3PY -1.62954 -0.77849 -0.73562 0.17600 1.60282 54 3PZ 0.01766 -0.61124 -0.00201 0.09438 -1.35555 55 4XX -0.01203 0.00127 0.00069 -0.00578 0.01132 56 4YY 0.03686 0.01332 0.00185 -0.05477 -0.04533 57 4ZZ -0.01415 0.00184 -0.00370 -0.01406 -0.00368 58 4XY -0.00070 0.00443 -0.00013 -0.00059 -0.00495 59 4XZ -0.00498 -0.00111 -0.00404 -0.02158 -0.02170 60 4YZ 0.00085 0.00633 0.00057 -0.02110 -0.00531 61 5 C 1S -0.06708 0.02624 -0.00921 -0.00696 0.11289 62 2S 0.11367 -0.13159 -0.01616 -0.31651 -0.03850 63 2PX -0.08274 0.18300 0.00113 0.26931 0.05883 64 2PY -0.18421 -0.09946 -0.04387 0.11686 0.15871 65 2PZ -0.07461 0.15414 0.04378 -0.11174 0.13728 66 3S 1.59299 0.41067 0.76040 0.29577 -3.68810 67 3PX 0.02640 0.44414 -0.02506 -0.16932 1.24978 68 3PY -1.62954 -0.77847 -0.73562 -0.17599 1.60284 69 3PZ -0.01765 0.61124 0.00201 0.09440 1.35555 70 4XX 0.01203 -0.00127 -0.00069 -0.00578 -0.01132 71 4YY -0.03686 -0.01332 -0.00185 -0.05477 0.04533 72 4ZZ 0.01415 -0.00184 0.00370 -0.01406 0.00368 73 4XY -0.00070 0.00443 -0.00013 0.00059 -0.00495 74 4XZ 0.00498 0.00111 0.00404 -0.02158 0.02170 75 4YZ 0.00085 0.00633 0.00056 0.02110 -0.00531 76 6 C 1S -0.02377 -0.09916 0.00138 0.00476 -0.07622 77 2S 0.03237 0.04338 -0.03048 -0.24962 0.26794 78 2PX -0.11448 -0.02651 0.06564 0.10017 0.13356 79 2PY -0.05264 0.02685 0.00284 0.05620 -0.13276 80 2PZ -0.11913 -0.01101 0.04409 -0.17055 0.12544 81 3S 0.59577 2.63763 0.08060 0.42905 1.02151 82 3PX -0.12334 0.03396 0.19610 -0.07740 0.11002 83 3PY -0.47709 0.43679 0.40140 0.09890 -2.43306 84 3PZ 0.05913 -0.05141 0.12158 0.07286 0.52290 85 4XX 0.00031 -0.00164 0.00217 -0.01491 0.02218 86 4YY 0.00117 -0.01085 0.00529 -0.00069 -0.04155 87 4ZZ -0.00579 -0.00507 -0.01099 -0.02841 0.02253 88 4XY -0.02334 -0.00488 0.00271 -0.00008 -0.00156 89 4XZ -0.00364 -0.03764 -0.01204 -0.03320 0.02496 90 4YZ -0.02250 0.00642 -0.00232 -0.00216 0.01658 91 7 H 1S 0.03818 0.01684 0.02217 0.04973 0.06840 92 2S -0.59668 -0.37120 0.28878 -0.14580 -0.55139 93 8 H 1S -0.03818 -0.01685 -0.02217 0.04973 -0.06840 94 2S 0.59668 0.37120 -0.28877 -0.14579 0.55139 95 9 H 1S -0.01385 -0.02738 -0.01109 -0.02116 -0.14088 96 2S -0.43337 0.32611 -0.10076 -0.09200 0.86622 97 10 H 1S 0.01385 0.02738 0.01109 -0.02116 0.14088 98 2S 0.43337 -0.32611 0.10076 -0.09201 -0.86622 99 11 O 1S 0.00995 -0.05218 -0.00786 0.00502 0.03134 100 2S -0.00827 0.03929 -0.01076 0.03552 0.08632 101 2PX -0.12235 -0.01382 -0.00645 0.01011 -0.00541 102 2PY -0.00201 0.11853 -0.01479 0.03617 0.12625 103 2PZ -0.10872 0.01595 -0.01679 0.01058 0.03986 104 3S -0.22704 1.07718 0.29327 -0.23706 -1.42451 105 3PX -0.09445 -0.07445 0.01224 0.01952 0.14745 106 3PY -0.07058 0.51591 0.09082 -0.09053 -0.38772 107 3PZ -0.09802 0.04639 0.03017 -0.00553 0.02940 108 4XX 0.00026 -0.03053 -0.01120 0.01641 0.05213 109 4YY -0.00081 -0.01270 -0.00119 0.00938 -0.00142 110 4ZZ 0.01275 -0.02942 -0.00738 0.01629 0.05364 111 4XY 0.01066 -0.00303 -0.00428 0.00734 0.00312 112 4XZ 0.00230 0.01635 0.00371 -0.00569 -0.00683 113 4YZ 0.01065 0.00404 0.00101 -0.01186 -0.01329 114 12 O 1S -0.00995 0.05218 0.00786 0.00502 -0.03134 115 2S 0.00827 -0.03929 0.01075 0.03552 -0.08632 116 2PX 0.12235 0.01381 0.00646 0.01011 0.00541 117 2PY -0.00200 0.11853 -0.01479 -0.03616 0.12625 118 2PZ 0.10872 -0.01595 0.01679 0.01058 -0.03986 119 3S 0.22705 -1.07718 -0.29327 -0.23705 1.42452 120 3PX 0.09445 0.07444 -0.01225 0.01952 -0.14744 121 3PY -0.07058 0.51592 0.09082 0.09053 -0.38773 122 3PZ 0.09802 -0.04639 -0.03017 -0.00553 -0.02940 123 4XX -0.00026 0.03053 0.01120 0.01640 -0.05213 124 4YY 0.00081 0.01270 0.00119 0.00938 0.00142 125 4ZZ -0.01275 0.02942 0.00738 0.01629 -0.05364 126 4XY 0.01066 -0.00303 -0.00428 -0.00734 0.00312 127 4XZ -0.00230 -0.01635 -0.00371 -0.00569 0.00683 128 4YZ 0.01065 0.00404 0.00101 0.01186 -0.01329 129 13 C 1S 0.00000 0.00000 0.00000 0.00936 0.00000 130 2S 0.00000 0.00000 0.00000 -0.03471 0.00000 131 2PX 0.00000 0.00000 0.00000 0.02380 0.00000 132 2PY 0.07825 -0.12547 0.26841 0.00000 0.11967 133 2PZ 0.00000 0.00000 0.00000 -0.02005 0.00000 134 3S 0.00000 0.00000 0.00001 0.11385 0.00000 135 3PX 0.00000 0.00000 0.00000 -0.11395 0.00000 136 3PY -0.24491 0.24931 0.95577 0.00000 0.00588 137 3PZ 0.00000 0.00000 0.00000 0.05276 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00259 0.00000 139 4YY 0.00000 0.00000 0.00000 0.01600 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00186 0.00000 141 4XY 0.00623 0.00165 -0.02605 0.00000 -0.00401 142 4XZ 0.00000 0.00000 0.00000 0.00756 0.00000 143 4YZ 0.01040 -0.00605 0.01415 0.00000 -0.00032 144 14 H 1S 0.00000 0.00000 0.00000 -0.00224 0.00000 145 2S 0.00000 0.00000 -0.00001 0.04665 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 -0.07611 0.00000 147 2S 0.00000 0.00000 0.00000 -0.05625 0.00000 148 16 C 1S 0.01187 -0.02126 0.03310 0.00896 0.00813 149 2S -0.00917 0.01019 0.03531 -0.06907 -0.05438 150 2PX 0.03729 0.03975 -0.13097 -0.01958 -0.05337 151 2PY -0.04999 0.02560 0.03703 0.06099 -0.00679 152 2PZ 0.02785 -0.00207 -0.17815 -0.11312 -0.09114 153 3S -0.43068 0.88415 -1.47710 -0.16903 -0.44531 154 3PX -0.08077 0.09473 -0.71940 -0.08831 -0.14910 155 3PY -0.31255 0.70281 -0.12540 -0.17447 -0.30161 156 3PZ -0.19650 0.48576 -1.79978 -0.01905 -0.38382 157 4XX 0.00555 -0.00017 -0.01038 0.01664 0.00585 158 4YY -0.00401 0.00623 -0.00780 -0.02111 -0.01187 159 4ZZ -0.00265 -0.00019 0.02932 0.00399 -0.00654 160 4XY 0.01424 -0.00437 0.01186 -0.00479 0.00603 161 4XZ -0.00417 0.00887 0.00092 -0.01107 -0.01215 162 4YZ 0.00322 -0.01493 0.00639 -0.00745 0.00201 163 17 H 1S 0.01209 -0.01244 -0.02788 -0.06678 -0.02431 164 2S -0.14033 0.33677 -0.17505 0.00313 -0.17448 165 18 C 1S -0.01881 0.05806 -0.01571 -0.01709 -0.03071 166 2S -0.00150 0.01606 0.01484 -0.32517 -0.04386 167 2PX -0.01128 0.11055 -0.00344 -0.28253 -0.11052 168 2PY 0.03041 -0.10514 -0.23498 -0.11006 0.04922 169 2PZ -0.01117 0.01994 -0.22684 0.06728 0.03585 170 3S 0.79963 -2.12281 0.72232 0.56446 0.92755 171 3PX -0.10481 0.16617 -0.36791 0.20820 -0.00487 172 3PY 0.42415 -1.10370 -1.36995 0.06844 0.08844 173 3PZ -0.34139 0.88489 -1.77855 -0.12692 -0.59461 174 4XX -0.00258 0.00008 -0.00182 0.01833 0.00649 175 4YY -0.00315 0.01693 0.02209 -0.05286 -0.01697 176 4ZZ 0.00515 -0.00109 -0.01210 -0.05043 -0.01238 177 4XY 0.00198 -0.00309 -0.00001 -0.01182 0.00443 178 4XZ -0.00154 -0.00391 0.00414 -0.02146 -0.00447 179 4YZ 0.00209 -0.00189 0.00265 0.02079 -0.00070 180 19 H 1S -0.00681 0.04681 -0.02361 -0.19938 -0.08297 181 2S 0.20669 -0.50763 0.29127 -0.01568 0.14455 182 20 C 1S -0.01187 0.02126 -0.03310 0.00896 -0.00813 183 2S 0.00917 -0.01019 -0.03530 -0.06907 0.05438 184 2PX -0.03729 -0.03975 0.13097 -0.01957 0.05337 185 2PY -0.04999 0.02560 0.03703 -0.06099 -0.00678 186 2PZ -0.02785 0.00207 0.17815 -0.11312 0.09114 187 3S 0.43068 -0.88416 1.47712 -0.16902 0.44532 188 3PX 0.08077 -0.09473 0.71941 -0.08831 0.14910 189 3PY -0.31255 0.70281 -0.12539 0.17446 -0.30161 190 3PZ 0.19650 -0.48577 1.79980 -0.01903 0.38382 191 4XX -0.00555 0.00017 0.01038 0.01664 -0.00585 192 4YY 0.00401 -0.00623 0.00780 -0.02111 0.01187 193 4ZZ 0.00265 0.00019 -0.02932 0.00399 0.00654 194 4XY 0.01424 -0.00437 0.01186 0.00479 0.00603 195 4XZ 0.00417 -0.00887 -0.00092 -0.01107 0.01215 196 4YZ 0.00322 -0.01493 0.00639 0.00746 0.00201 197 21 H 1S -0.01209 0.01244 0.02788 -0.06678 0.02431 198 2S 0.14032 -0.33677 0.17505 0.00314 0.17448 199 22 C 1S 0.01881 -0.05806 0.01571 -0.01709 0.03071 200 2S 0.00150 -0.01606 -0.01484 -0.32517 0.04387 201 2PX 0.01128 -0.11055 0.00344 -0.28253 0.11052 202 2PY 0.03041 -0.10515 -0.23498 0.11006 0.04923 203 2PZ 0.01117 -0.01994 0.22684 0.06728 -0.03585 204 3S -0.79962 2.12282 -0.72235 0.56444 -0.92756 205 3PX 0.10481 -0.16618 0.36792 0.20820 0.00487 206 3PY 0.42416 -1.10369 -1.36996 -0.06845 0.08844 207 3PZ 0.34138 -0.88489 1.77858 -0.12690 0.59461 208 4XX 0.00258 -0.00008 0.00182 0.01833 -0.00649 209 4YY 0.00315 -0.01693 -0.02209 -0.05286 0.01697 210 4ZZ -0.00516 0.00109 0.01210 -0.05043 0.01238 211 4XY 0.00198 -0.00309 -0.00001 0.01182 0.00443 212 4XZ 0.00154 0.00391 -0.00414 -0.02146 0.00447 213 4YZ 0.00209 -0.00189 0.00265 -0.02079 -0.00070 214 23 H 1S 0.00681 -0.04681 0.02361 -0.19938 0.08298 215 2S -0.20669 0.50763 -0.29127 -0.01569 -0.14455 76 77 78 79 80 V V V V V Eigenvalues -- 0.48425 0.48559 0.50351 0.51925 0.52833 1 1 C 1S 0.04092 -0.00161 -0.00886 -0.01126 -0.01079 2 2S -0.11697 -0.20589 0.01466 -0.02304 -0.18573 3 2PX -0.10648 -0.29091 -0.00509 0.06661 0.16720 4 2PY -0.07423 0.19795 0.03884 0.28388 0.03939 5 2PZ -0.12409 0.09626 0.11053 0.11292 -0.12678 6 3S -0.27323 -0.09270 0.23648 -0.13815 0.80976 7 3PX -1.28876 0.24634 0.07433 -0.03881 -0.09964 8 3PY -1.75098 -0.34938 0.12521 -0.44433 0.25334 9 3PZ -0.76944 -0.19877 -0.06456 -0.14367 0.66506 10 4XX -0.00229 -0.00676 0.00844 0.01424 -0.00599 11 4YY 0.01686 -0.04979 0.00775 -0.04739 -0.00508 12 4ZZ -0.00869 0.01775 -0.01565 0.02541 -0.02325 13 4XY 0.01428 -0.00843 0.00051 0.00942 0.00771 14 4XZ 0.02207 -0.02947 -0.00812 -0.00160 -0.01365 15 4YZ 0.00881 -0.01448 -0.00200 -0.01035 -0.00523 16 2 C 1S -0.04092 -0.00163 -0.00886 -0.01126 0.01079 17 2S 0.11707 -0.20583 0.01466 -0.02304 0.18572 18 2PX 0.10663 -0.29085 -0.00508 0.06661 -0.16720 19 2PY -0.07413 -0.19799 -0.03883 -0.28388 0.03938 20 2PZ 0.12404 0.09632 0.11052 0.11292 0.12678 21 3S 0.27325 -0.09251 0.23648 -0.13816 -0.80974 22 3PX 1.28864 0.24700 0.07431 -0.03880 0.09964 23 3PY -1.75114 0.34852 -0.12520 0.44430 0.25334 24 3PZ 0.76954 -0.19835 -0.06457 -0.14365 -0.66505 25 4XX 0.00230 -0.00676 0.00844 0.01424 0.00599 26 4YY -0.01684 -0.04980 0.00775 -0.04739 0.00508 27 4ZZ 0.00868 0.01775 -0.01565 0.02541 0.02325 28 4XY 0.01428 0.00844 -0.00051 -0.00942 0.00772 29 4XZ -0.02206 -0.02948 -0.00812 -0.00160 0.01365 30 4YZ 0.00881 0.01449 0.00200 0.01035 -0.00523 31 3 C 1S 0.01983 0.01143 0.01144 -0.00536 0.00444 32 2S -0.08948 -0.29650 -0.09979 0.09470 -0.04165 33 2PX 0.34928 -0.13600 -0.17720 0.09120 -0.04553 34 2PY -0.02166 -0.10617 -0.16494 0.03838 0.03969 35 2PZ 0.37304 0.19059 0.14979 0.03294 -0.05105 36 3S -0.18574 0.50061 0.26423 -0.28044 0.16207 37 3PX 1.46978 -0.00620 0.40289 -0.14090 -0.43358 38 3PY -0.61729 -0.07324 -0.05421 -0.08460 0.25724 39 3PZ 1.43167 -0.23837 0.01142 -0.12205 -0.26479 40 4XX 0.00104 -0.02064 0.00278 0.00806 0.01049 41 4YY 0.01045 0.00904 -0.00962 -0.00257 0.00851 42 4ZZ -0.01350 -0.02988 0.00789 0.00366 -0.00999 43 4XY -0.02030 -0.00495 0.00647 -0.03172 -0.00924 44 4XZ -0.00679 -0.03628 0.01647 -0.00576 -0.00324 45 4YZ -0.01551 0.00078 0.00061 -0.03298 0.00326 46 4 C 1S -0.00168 -0.00050 -0.01368 0.02228 0.00058 47 2S -0.06801 -0.16130 -0.19669 0.09457 -0.00092 48 2PX 0.10880 -0.12822 -0.04596 0.29724 0.00864 49 2PY 0.14246 -0.06374 -0.15230 0.36623 -0.01763 50 2PZ 0.10407 0.25974 -0.10572 0.02218 -0.02576 51 3S 1.65671 0.18671 -0.00906 0.21113 -0.37920 52 3PX 0.36885 0.09246 0.06075 -0.35666 -0.06359 53 3PY 2.83293 0.06783 0.31762 -0.63774 -0.62919 54 3PZ 0.64205 -0.19877 0.20172 -0.13722 -0.11098 55 4XX -0.00282 0.00448 -0.00653 -0.01605 -0.00185 56 4YY 0.00805 -0.02717 -0.03593 0.05776 -0.00460 57 4ZZ 0.00541 -0.00287 -0.01788 -0.00874 -0.00116 58 4XY 0.00607 -0.02196 0.01048 0.01655 -0.00270 59 4XZ 0.01560 0.00052 -0.03778 0.01034 -0.00370 60 4YZ 0.00884 -0.01423 0.00021 0.00214 -0.00208 61 5 C 1S 0.00168 -0.00050 -0.01368 0.02228 -0.00058 62 2S 0.06809 -0.16126 -0.19669 0.09457 0.00091 63 2PX -0.10874 -0.12828 -0.04596 0.29725 -0.00865 64 2PY 0.14243 0.06381 0.15230 -0.36623 -0.01763 65 2PZ -0.10420 0.25968 -0.10572 0.02217 0.02577 66 3S -1.65682 0.18583 -0.00904 0.21112 0.37920 67 3PX -0.36892 0.09229 0.06075 -0.35668 0.06361 68 3PY 2.83295 -0.06637 -0.31765 0.63778 -0.62919 69 3PZ -0.64195 -0.19909 0.20173 -0.13724 0.11097 70 4XX 0.00282 0.00448 -0.00652 -0.01605 0.00185 71 4YY -0.00804 -0.02718 -0.03593 0.05776 0.00460 72 4ZZ -0.00541 -0.00288 -0.01788 -0.00874 0.00116 73 4XY 0.00606 0.02196 -0.01048 -0.01656 -0.00270 74 4XZ -0.01560 0.00051 -0.03778 0.01034 0.00370 75 4YZ 0.00883 0.01424 -0.00021 -0.00214 -0.00208 76 6 C 1S -0.01984 0.01142 0.01144 -0.00536 -0.00444 77 2S 0.08962 -0.29646 -0.09979 0.09470 0.04165 78 2PX -0.34921 -0.13617 -0.17720 0.09120 0.04553 79 2PY -0.02172 0.10616 0.16494 -0.03838 0.03970 80 2PZ -0.37313 0.19039 0.14979 0.03293 0.05106 81 3S 0.18553 0.50071 0.26423 -0.28044 -0.16206 82 3PX -1.46977 -0.00696 0.40290 -0.14092 0.43359 83 3PY -0.61735 0.07290 0.05422 0.08460 0.25726 84 3PZ -1.43155 -0.23909 0.01144 -0.12208 0.26478 85 4XX -0.00103 -0.02064 0.00278 0.00806 -0.01049 86 4YY -0.01045 0.00904 -0.00962 -0.00257 -0.00851 87 4ZZ 0.01352 -0.02987 0.00789 0.00366 0.00999 88 4XY -0.02030 0.00494 -0.00647 0.03172 -0.00924 89 4XZ 0.00681 -0.03628 0.01647 -0.00576 0.00324 90 4YZ -0.01551 -0.00079 -0.00061 0.03297 0.00326 91 7 H 1S 0.07077 -0.00788 -0.09894 0.00566 -0.01563 92 2S -0.01304 -0.05559 -0.09763 -0.01441 0.09787 93 8 H 1S -0.07076 -0.00791 -0.09894 0.00566 0.01563 94 2S 0.01307 -0.05558 -0.09763 -0.01441 -0.09787 95 9 H 1S 0.03919 0.06106 -0.15808 0.06524 -0.00641 96 2S 0.25217 -0.09081 0.04299 0.03308 -0.07389 97 10 H 1S -0.03923 0.06104 -0.15808 0.06524 0.00641 98 2S -0.25213 -0.09095 0.04299 0.03308 0.07389 99 11 O 1S 0.00748 0.00289 0.00906 0.00165 -0.00748 100 2S 0.02963 0.05426 -0.00897 -0.00960 0.00620 101 2PX 0.00515 -0.01684 -0.00661 -0.12130 -0.00021 102 2PY 0.03619 0.05661 -0.01611 -0.01898 0.01655 103 2PZ 0.01638 0.00296 0.01900 -0.11684 -0.00565 104 3S -0.40565 -0.27035 -0.17418 0.01304 0.16379 105 3PX -0.20170 0.01711 -0.02701 0.00336 0.04025 106 3PY -0.12005 -0.09684 -0.09929 0.00935 0.06412 107 3PZ -0.24974 0.01682 -0.02463 -0.00398 0.04950 108 4XX 0.01313 0.02464 0.00665 -0.01246 -0.00458 109 4YY 0.00088 -0.00034 0.00108 0.00332 -0.00906 110 4ZZ 0.01559 0.02438 0.00766 0.00674 -0.00053 111 4XY 0.01342 -0.00278 -0.01483 0.01628 0.00249 112 4XZ -0.00423 -0.01211 0.00005 0.00087 -0.00116 113 4YZ 0.00943 0.00964 0.00877 0.01402 -0.00152 114 12 O 1S -0.00748 0.00288 0.00906 0.00165 0.00748 115 2S -0.02966 0.05425 -0.00897 -0.00960 -0.00620 116 2PX -0.00514 -0.01684 -0.00661 -0.12130 0.00021 117 2PY 0.03622 -0.05659 0.01611 0.01898 0.01655 118 2PZ -0.01638 0.00295 0.01900 -0.11684 0.00565 119 3S 0.40578 -0.27012 -0.17419 0.01304 -0.16380 120 3PX 0.20170 0.01721 -0.02701 0.00337 -0.04025 121 3PY -0.12009 0.09677 0.09929 -0.00935 0.06413 122 3PZ 0.24973 0.01695 -0.02463 -0.00398 -0.04950 123 4XX -0.01315 0.02463 0.00665 -0.01246 0.00458 124 4YY -0.00088 -0.00034 0.00108 0.00332 0.00906 125 4ZZ -0.01561 0.02437 0.00767 0.00674 0.00053 126 4XY 0.01341 0.00279 0.01483 -0.01628 0.00249 127 4XZ 0.00424 -0.01210 0.00005 0.00087 0.00116 128 4YZ 0.00943 -0.00964 -0.00877 -0.01402 -0.00152 129 13 C 1S 0.00000 0.01351 -0.02730 0.00120 0.00000 130 2S 0.00000 0.00446 -0.00527 0.03128 0.00000 131 2PX -0.00001 0.04202 -0.05032 -0.06250 -0.00001 132 2PY -0.00521 0.00000 0.00000 0.00000 -0.61585 133 2PZ -0.00001 0.05318 -0.06560 0.03669 -0.00001 134 3S 0.00011 -0.41334 0.39169 -0.34227 0.00002 135 3PX 0.00009 -0.35748 0.64239 0.00843 0.00002 136 3PY 0.12704 0.00003 0.00000 0.00001 0.74369 137 3PZ 0.00010 -0.40862 0.82781 -0.17612 0.00002 138 4XX 0.00000 0.00092 0.01357 0.04533 0.00000 139 4YY 0.00000 -0.00486 -0.03632 -0.02744 0.00000 140 4ZZ 0.00000 0.00206 0.00482 -0.01690 0.00000 141 4XY 0.01516 0.00000 0.00000 0.00000 -0.00231 142 4XZ 0.00000 0.01857 -0.04032 -0.01396 0.00000 143 4YZ -0.00659 0.00000 0.00000 0.00000 0.00768 144 14 H 1S 0.00000 0.01448 0.02893 -0.04868 0.00000 145 2S 0.00003 -0.10831 0.33628 -0.01359 0.00000 146 15 H 1S 0.00000 -0.01903 0.20580 0.16391 0.00000 147 2S 0.00000 0.02387 0.08287 -0.09512 0.00000 148 16 C 1S 0.00834 -0.01605 0.03448 0.00580 0.02856 149 2S -0.06406 -0.08352 0.01279 -0.02337 0.00572 150 2PX -0.12741 -0.16593 -0.00353 -0.00153 -0.33397 151 2PY -0.04254 -0.03646 -0.10583 -0.09361 -0.07975 152 2PZ -0.02696 -0.03931 0.20867 0.02725 0.18193 153 3S -0.29690 0.53045 -0.63857 0.15463 0.18415 154 3PX 0.00133 0.25632 -0.00251 -0.06773 0.55675 155 3PY -0.06493 0.40431 -0.41953 0.29319 0.14996 156 3PZ -0.47877 0.15923 -0.49599 0.01683 -0.48610 157 4XX 0.00480 -0.00471 -0.03063 -0.01997 -0.04029 158 4YY -0.01251 0.01921 0.00172 0.02567 0.04154 159 4ZZ -0.00136 -0.03221 0.03682 0.00194 0.03091 160 4XY -0.00793 0.00816 0.00520 0.02375 -0.04120 161 4XZ -0.00109 -0.01228 -0.00251 -0.00596 0.03053 162 4YZ 0.00859 -0.01021 0.03294 0.00046 -0.00683 163 17 H 1S -0.02077 0.05071 0.16714 0.15307 0.22884 164 2S -0.09765 0.10541 -0.23926 0.05231 0.00398 165 18 C 1S -0.01810 0.00759 -0.01553 -0.00182 -0.00782 166 2S 0.00004 0.04988 0.11695 0.06936 0.15212 167 2PX -0.05337 -0.06508 -0.18383 -0.18172 -0.21614 168 2PY -0.03319 0.14802 -0.27699 -0.04718 -0.13853 169 2PZ -0.03474 0.16109 -0.18110 0.04129 -0.08464 170 3S 0.55193 -0.27098 0.21367 -0.12151 0.08063 171 3PX -0.11827 0.03205 0.15173 0.17608 0.04357 172 3PY 0.01330 -0.20973 0.34972 -0.00199 0.19123 173 3PZ -0.54580 -0.04679 -0.04148 0.03445 -0.06172 174 4XX 0.00466 -0.01122 0.00903 0.00305 0.00200 175 4YY 0.00267 0.02604 -0.01892 0.00415 0.03224 176 4ZZ -0.01173 -0.00358 0.02203 0.00688 -0.00175 177 4XY 0.00102 -0.00621 -0.01128 -0.00805 0.00314 178 4XZ 0.00247 0.00644 0.02836 0.00240 0.02355 179 4YZ 0.00153 -0.01784 -0.00997 -0.01174 0.00326 180 19 H 1S -0.02210 0.11367 0.05488 0.05231 0.04173 181 2S 0.21206 -0.05401 0.01236 -0.08675 0.10564 182 20 C 1S -0.00833 -0.01605 0.03448 0.00580 -0.02856 183 2S 0.06411 -0.08349 0.01279 -0.02338 -0.00572 184 2PX 0.12749 -0.16588 -0.00353 -0.00153 0.33398 185 2PY -0.04256 0.03643 0.10583 0.09361 -0.07975 186 2PZ 0.02698 -0.03929 0.20867 0.02725 -0.18193 187 3S 0.29664 0.53062 -0.63858 0.15463 -0.18417 188 3PX -0.00145 0.25634 -0.00251 -0.06773 -0.55676 189 3PY -0.06472 -0.40434 0.41952 -0.29318 0.14998 190 3PZ 0.47869 0.15948 -0.49602 0.01685 0.48610 191 4XX -0.00480 -0.00471 -0.03064 -0.01997 0.04029 192 4YY 0.01250 0.01922 0.00172 0.02567 -0.04154 193 4ZZ 0.00138 -0.03221 0.03682 0.00194 -0.03091 194 4XY -0.00793 -0.00817 -0.00520 -0.02375 -0.04120 195 4XZ 0.00110 -0.01228 -0.00250 -0.00596 -0.03053 196 4YZ 0.00858 0.01021 -0.03294 -0.00046 -0.00683 197 21 H 1S 0.02075 0.05072 0.16714 0.15307 -0.22885 198 2S 0.09759 0.10546 -0.23927 0.05231 -0.00398 199 22 C 1S 0.01810 0.00760 -0.01553 -0.00182 0.00782 200 2S -0.00007 0.04988 0.11695 0.06935 -0.15213 201 2PX 0.05340 -0.06505 -0.18384 -0.18172 0.21615 202 2PY -0.03311 -0.14804 0.27700 0.04717 -0.13852 203 2PZ 0.03465 0.16111 -0.18110 0.04130 0.08463 204 3S -0.55180 -0.27126 0.21368 -0.12151 -0.08061 205 3PX 0.11826 0.03211 0.15174 0.17608 -0.04357 206 3PY 0.01319 0.20973 -0.34971 0.00198 0.19122 207 3PZ 0.54583 -0.04651 -0.04150 0.03445 0.06173 208 4XX -0.00466 -0.01122 0.00903 0.00305 -0.00200 209 4YY -0.00269 0.02604 -0.01892 0.00415 -0.03224 210 4ZZ 0.01173 -0.00357 0.02203 0.00688 0.00175 211 4XY 0.00102 0.00621 0.01128 0.00805 0.00314 212 4XZ -0.00247 0.00644 0.02836 0.00240 -0.02355 213 4YZ 0.00152 0.01785 0.00997 0.01174 0.00327 214 23 H 1S 0.02205 0.11368 0.05488 0.05230 -0.04174 215 2S -0.21203 -0.05411 0.01236 -0.08676 -0.10564 81 82 83 84 85 V V V V V Eigenvalues -- 0.54429 0.54786 0.56139 0.56699 0.58446 1 1 C 1S -0.00066 -0.02566 -0.02490 0.00438 -0.00439 2 2S -0.16195 0.00373 -0.08309 -0.05827 -0.08882 3 2PX -0.06435 -0.10563 0.19258 0.18026 -0.15746 4 2PY -0.00483 -0.02625 0.28441 -0.07094 0.05089 5 2PZ -0.13865 -0.00316 0.19708 -0.16126 0.13362 6 3S 0.24051 1.05450 0.06038 0.43043 -0.27408 7 3PX 0.03088 0.33797 -0.21091 -0.16399 0.19152 8 3PY 0.02129 -0.57472 -0.36289 0.17313 -0.18357 9 3PZ 0.20457 0.46067 -0.20796 0.40507 -0.28353 10 4XX 0.00486 -0.00230 0.02853 -0.00798 -0.00990 11 4YY -0.02368 0.00413 -0.04417 -0.00182 -0.01027 12 4ZZ -0.01038 -0.00364 -0.01785 0.01291 -0.00780 13 4XY -0.01862 0.00206 -0.00705 0.01507 0.01940 14 4XZ 0.00911 0.00070 -0.03209 0.01174 -0.06252 15 4YZ -0.00014 0.00828 0.01885 -0.00950 0.01658 16 2 C 1S -0.00066 0.02566 -0.02490 0.00438 -0.00439 17 2S -0.16196 -0.00373 -0.08309 -0.05827 -0.08882 18 2PX -0.06434 0.10562 0.19259 0.18026 -0.15746 19 2PY 0.00483 -0.02623 -0.28440 0.07093 -0.05090 20 2PZ -0.13865 0.00316 0.19708 -0.16126 0.13361 21 3S 0.24055 -1.05452 0.06035 0.43042 -0.27404 22 3PX 0.03088 -0.33795 -0.21093 -0.16397 0.19153 23 3PY -0.02130 -0.57473 0.36286 -0.17316 0.18359 24 3PZ 0.20460 -0.46067 -0.20797 0.40508 -0.28349 25 4XX 0.00486 0.00230 0.02854 -0.00798 -0.00990 26 4YY -0.02368 -0.00413 -0.04417 -0.00182 -0.01027 27 4ZZ -0.01038 0.00364 -0.01785 0.01290 -0.00780 28 4XY 0.01862 0.00206 0.00705 -0.01507 -0.01941 29 4XZ 0.00911 -0.00070 -0.03209 0.01174 -0.06252 30 4YZ 0.00014 0.00828 -0.01885 0.00950 -0.01658 31 3 C 1S -0.01764 0.00514 0.02357 -0.00483 0.00432 32 2S -0.05542 -0.11841 -0.12841 0.08584 0.04994 33 2PX -0.06710 0.28172 -0.01570 -0.15306 0.18475 34 2PY -0.00509 0.13298 -0.11406 -0.05236 -0.01491 35 2PZ 0.14284 -0.29825 0.01556 -0.07121 0.04653 36 3S -0.16684 0.15026 0.51909 -0.13026 0.15100 37 3PX 0.06005 -0.47720 0.07389 0.41989 -0.42049 38 3PY -0.07436 0.84645 0.00202 -0.24520 0.08281 39 3PZ -0.16873 0.32028 0.10033 0.14282 -0.19812 40 4XX -0.02807 0.00382 0.00362 -0.00734 0.02137 41 4YY 0.00346 -0.00635 -0.00250 0.00332 -0.01078 42 4ZZ -0.02229 -0.01782 0.01501 0.02053 0.01224 43 4XY -0.00246 -0.00379 -0.01244 0.00108 0.01608 44 4XZ -0.04033 -0.00116 0.04293 -0.00162 0.02270 45 4YZ -0.01581 -0.00652 -0.01187 0.00577 0.01347 46 4 C 1S 0.01557 0.01703 -0.01243 -0.00847 0.00511 47 2S -0.06359 -0.04319 -0.02259 -0.11737 0.26395 48 2PX 0.05266 0.21086 -0.13561 -0.05378 0.09305 49 2PY 0.15975 -0.01255 -0.06811 -0.05007 -0.07267 50 2PZ 0.28590 -0.17820 -0.07854 0.01982 -0.30987 51 3S 0.18386 -1.11518 -0.09845 0.01968 -0.21827 52 3PX -0.12752 0.05861 0.19552 0.03630 -0.06786 53 3PY -0.25643 -0.88813 0.12280 0.14821 0.07172 54 3PZ -0.31469 0.37975 0.15861 -0.00498 0.28794 55 4XX -0.00022 -0.01571 -0.00804 0.00821 0.00449 56 4YY 0.00979 -0.01129 -0.00225 -0.01882 0.02277 57 4ZZ -0.00540 0.00642 -0.01446 -0.02044 0.03705 58 4XY -0.01275 -0.01531 0.00429 -0.00067 0.01099 59 4XZ 0.02249 -0.00729 -0.03476 -0.02550 0.03460 60 4YZ -0.00239 0.00414 0.00455 0.00999 -0.01689 61 5 C 1S 0.01557 -0.01703 -0.01242 -0.00847 0.00511 62 2S -0.06359 0.04320 -0.02259 -0.11736 0.26395 63 2PX 0.05266 -0.21085 -0.13562 -0.05378 0.09305 64 2PY -0.15975 -0.01257 0.06811 0.05007 0.07267 65 2PZ 0.28590 0.17821 -0.07853 0.01982 -0.30988 66 3S 0.18383 1.11520 -0.09843 0.01969 -0.21831 67 3PX -0.12752 -0.05861 0.19553 0.03630 -0.06786 68 3PY 0.25647 -0.88810 -0.12281 -0.14821 -0.07169 69 3PZ -0.31470 -0.37977 0.15859 -0.00500 0.28795 70 4XX -0.00022 0.01571 -0.00804 0.00821 0.00449 71 4YY 0.00979 0.01129 -0.00225 -0.01882 0.02277 72 4ZZ -0.00540 -0.00642 -0.01446 -0.02044 0.03705 73 4XY 0.01275 -0.01531 -0.00429 0.00067 -0.01099 74 4XZ 0.02249 0.00730 -0.03476 -0.02550 0.03460 75 4YZ 0.00239 0.00414 -0.00455 -0.00999 0.01689 76 6 C 1S -0.01764 -0.00514 0.02357 -0.00483 0.00432 77 2S -0.05542 0.11841 -0.12840 0.08584 0.04993 78 2PX -0.06710 -0.28171 -0.01571 -0.15307 0.18475 79 2PY 0.00509 0.13296 0.11406 0.05236 0.01491 80 2PZ 0.14283 0.29825 0.01557 -0.07120 0.04653 81 3S -0.16683 -0.15028 0.51908 -0.13025 0.15102 82 3PX 0.06003 0.47716 0.07390 0.41988 -0.42050 83 3PY 0.07434 0.84644 -0.00200 0.24522 -0.08285 84 3PZ -0.16874 -0.32029 0.10031 0.14280 -0.19812 85 4XX -0.02807 -0.00382 0.00362 -0.00734 0.02137 86 4YY 0.00346 0.00635 -0.00250 0.00332 -0.01078 87 4ZZ -0.02229 0.01782 0.01502 0.02053 0.01224 88 4XY 0.00246 -0.00379 0.01244 -0.00108 -0.01608 89 4XZ -0.04033 0.00116 0.04293 -0.00162 0.02270 90 4YZ 0.01581 -0.00652 0.01187 -0.00577 -0.01347 91 7 H 1S 0.03362 -0.07474 -0.18450 0.13490 -0.19446 92 2S -0.05679 0.24151 0.04669 0.08473 0.13656 93 8 H 1S 0.03362 0.07475 -0.18450 0.13491 -0.19446 94 2S -0.05678 -0.24151 0.04668 0.08473 0.13657 95 9 H 1S 0.13558 0.00781 -0.16602 -0.11284 0.10366 96 2S -0.03057 -0.27201 0.02284 0.05457 -0.03557 97 10 H 1S 0.13558 -0.00779 -0.16602 -0.11284 0.10366 98 2S -0.03058 0.27201 0.02285 0.05457 -0.03557 99 11 O 1S 0.00512 -0.02340 0.00204 0.01143 -0.00200 100 2S -0.03778 0.04479 0.03284 -0.02863 0.01881 101 2PX -0.03092 0.04808 -0.03858 -0.05409 0.09927 102 2PY 0.00718 0.02899 0.01691 -0.02916 -0.01554 103 2PZ -0.01504 -0.06315 -0.05190 0.01020 0.05803 104 3S -0.01994 0.55771 -0.16368 -0.17912 0.03147 105 3PX 0.00207 -0.03096 -0.00451 -0.00224 0.03407 106 3PY -0.03172 0.24109 -0.07481 -0.09866 0.02243 107 3PZ 0.00226 0.01754 -0.02522 -0.03375 0.03156 108 4XX -0.00047 -0.00664 0.00815 0.00147 -0.00571 109 4YY -0.01601 0.00937 0.00768 -0.00048 0.01710 110 4ZZ -0.00398 -0.00234 0.01246 -0.00049 0.00461 111 4XY -0.00006 0.01648 0.00251 -0.01012 0.00095 112 4XZ -0.00370 0.00643 0.00100 0.00270 -0.00017 113 4YZ 0.01041 -0.01493 0.00617 -0.00515 -0.00205 114 12 O 1S 0.00512 0.02340 0.00204 0.01143 -0.00200 115 2S -0.03778 -0.04479 0.03284 -0.02863 0.01881 116 2PX -0.03092 -0.04808 -0.03858 -0.05409 0.09927 117 2PY -0.00718 0.02898 -0.01691 0.02916 0.01554 118 2PZ -0.01504 0.06315 -0.05189 0.01020 0.05803 119 3S -0.01993 -0.55769 -0.16369 -0.17913 0.03149 120 3PX 0.00208 0.03096 -0.00451 -0.00224 0.03407 121 3PY 0.03171 0.24108 0.07481 0.09866 -0.02243 122 3PZ 0.00226 -0.01754 -0.02522 -0.03375 0.03156 123 4XX -0.00047 0.00664 0.00815 0.00147 -0.00571 124 4YY -0.01601 -0.00937 0.00768 -0.00048 0.01710 125 4ZZ -0.00398 0.00234 0.01246 -0.00049 0.00461 126 4XY 0.00006 0.01648 -0.00251 0.01012 -0.00095 127 4XZ -0.00370 -0.00643 0.00100 0.00270 -0.00017 128 4YZ -0.01041 -0.01493 -0.00617 0.00515 0.00205 129 13 C 1S -0.00324 0.00000 0.00834 0.02655 0.02405 130 2S -0.10984 0.00000 -0.13835 -0.15480 -0.19067 131 2PX -0.21402 0.00001 -0.36076 -0.31458 -0.22031 132 2PY 0.00001 -0.08265 0.00001 0.00000 -0.00001 133 2PZ -0.25900 0.00000 -0.06546 -0.25726 -0.37001 134 3S 0.61475 0.00001 0.08211 0.07741 0.34438 135 3PX 0.55584 -0.00001 0.40752 0.58049 0.29403 136 3PY -0.00002 0.02420 -0.00001 0.00000 0.00001 137 3PZ 0.88997 0.00001 -0.16122 0.25257 0.65340 138 4XX -0.03122 0.00000 0.03391 0.01917 -0.04062 139 4YY -0.00443 0.00000 0.02006 -0.04726 -0.00859 140 4ZZ 0.04031 0.00000 -0.05782 0.03580 0.04942 141 4XY 0.00000 -0.01166 0.00000 0.00000 0.00000 142 4XZ -0.02655 0.00000 -0.04086 0.00753 0.00694 143 4YZ 0.00000 -0.02039 0.00000 0.00000 0.00000 144 14 H 1S 0.17664 0.00000 -0.15176 0.25903 0.26518 145 2S 0.20724 0.00000 -0.07830 -0.04305 0.02785 146 15 H 1S -0.07078 0.00000 0.06985 0.07458 -0.03115 147 2S 0.04524 0.00000 -0.12138 0.06589 0.17292 148 16 C 1S 0.01215 0.01015 -0.02081 -0.02232 -0.01877 149 2S -0.07134 -0.12377 -0.11713 0.14016 -0.02402 150 2PX 0.07592 -0.11773 0.12698 0.23733 -0.18569 151 2PY 0.04608 0.02159 0.09444 0.02314 0.06735 152 2PZ -0.05535 -0.21882 -0.09328 -0.17552 -0.12976 153 3S -0.53952 -0.22254 0.27752 -0.41258 -0.04626 154 3PX -0.05737 0.05708 -0.30176 -0.50112 0.37329 155 3PY -0.59557 -0.28993 0.03431 0.04584 -0.08899 156 3PZ -0.19896 0.12904 0.28229 0.45202 0.14089 157 4XX 0.02243 0.00846 0.02508 0.01237 0.01838 158 4YY -0.04298 -0.00741 -0.06931 0.02897 -0.01522 159 4ZZ -0.00196 -0.01432 0.00909 -0.03890 -0.02742 160 4XY 0.01431 -0.01847 0.03011 0.03762 0.01504 161 4XZ -0.00269 -0.00768 -0.01562 -0.03797 -0.02663 162 4YZ 0.02958 0.00029 -0.02704 0.02163 0.03936 163 17 H 1S -0.00401 -0.03777 -0.20859 0.12341 0.07603 164 2S -0.21981 -0.12963 0.18612 0.00713 -0.03045 165 18 C 1S -0.01297 -0.05385 0.00284 0.01882 0.00484 166 2S -0.30962 -0.02869 -0.10864 -0.04436 -0.07284 167 2PX 0.29753 -0.12714 0.13673 -0.08741 0.10365 168 2PY -0.21673 0.24081 0.12253 0.06871 -0.04873 169 2PZ -0.19884 0.10833 -0.03046 0.26668 0.06056 170 3S 0.55631 0.76183 0.07210 -0.11064 -0.07576 171 3PX -0.27771 0.04257 0.02292 0.21203 -0.10572 172 3PY 0.31098 0.21691 -0.23685 -0.05866 0.08344 173 3PZ 0.00735 -0.45835 0.22928 -0.23927 0.01460 174 4XX 0.01450 0.03966 -0.00332 -0.00791 0.01461 175 4YY -0.07187 -0.05189 0.00111 -0.00431 -0.02114 176 4ZZ -0.01440 -0.03243 -0.02564 0.02715 -0.00077 177 4XY 0.01748 0.00048 0.03171 -0.01698 -0.01357 178 4XZ -0.01942 -0.02010 -0.02273 0.01280 0.01703 179 4YZ -0.00972 0.00021 0.02396 -0.04526 -0.04673 180 19 H 1S -0.08828 -0.22775 -0.18157 0.25043 0.14206 181 2S 0.05643 0.23275 -0.08429 -0.15872 -0.15171 182 20 C 1S 0.01216 -0.01015 -0.02081 -0.02232 -0.01877 183 2S -0.07134 0.12377 -0.11712 0.14016 -0.02402 184 2PX 0.07591 0.11771 0.12698 0.23732 -0.18569 185 2PY -0.04608 0.02159 -0.09444 -0.02314 -0.06735 186 2PZ -0.05534 0.21883 -0.09327 -0.17551 -0.12976 187 3S -0.53954 0.22253 0.27753 -0.41257 -0.04625 188 3PX -0.05736 -0.05704 -0.30176 -0.50111 0.37330 189 3PY 0.59558 -0.28992 -0.03432 -0.04584 0.08898 190 3PZ -0.19900 -0.12906 0.28227 0.45202 0.14089 191 4XX 0.02243 -0.00846 0.02508 0.01237 0.01838 192 4YY -0.04297 0.00741 -0.06931 0.02897 -0.01522 193 4ZZ -0.00196 0.01432 0.00909 -0.03890 -0.02742 194 4XY -0.01430 -0.01847 -0.03011 -0.03762 -0.01504 195 4XZ -0.00269 0.00768 -0.01562 -0.03797 -0.02664 196 4YZ -0.02958 0.00029 0.02704 -0.02163 -0.03936 197 21 H 1S -0.00400 0.03777 -0.20859 0.12341 0.07603 198 2S -0.21981 0.12962 0.18613 0.00714 -0.03044 199 22 C 1S -0.01297 0.05385 0.00284 0.01882 0.00484 200 2S -0.30961 0.02870 -0.10863 -0.04436 -0.07284 201 2PX 0.29751 0.12713 0.13673 -0.08741 0.10365 202 2PY 0.21673 0.24082 -0.12251 -0.06870 0.04873 203 2PZ -0.19884 -0.10833 -0.03046 0.26668 0.06057 204 3S 0.55635 -0.76183 0.07208 -0.11066 -0.07577 205 3PX -0.27771 -0.04257 0.02291 0.21203 -0.10572 206 3PY -0.31099 0.21689 0.23685 0.05866 -0.08344 207 3PZ 0.00733 0.45835 0.22929 -0.23926 0.01459 208 4XX 0.01450 -0.03966 -0.00332 -0.00791 0.01461 209 4YY -0.07187 0.05189 0.00112 -0.00430 -0.02114 210 4ZZ -0.01440 0.03244 -0.02563 0.02715 -0.00077 211 4XY -0.01748 0.00048 -0.03171 0.01698 0.01357 212 4XZ -0.01942 0.02010 -0.02273 0.01280 0.01703 213 4YZ 0.00972 0.00021 -0.02396 0.04526 0.04673 214 23 H 1S -0.08829 0.22776 -0.18156 0.25044 0.14206 215 2S 0.05644 -0.23274 -0.08430 -0.15873 -0.15171 86 87 88 89 90 V V V V V Eigenvalues -- 0.60219 0.61795 0.62438 0.64902 0.65691 1 1 C 1S 0.00078 0.00937 -0.00433 -0.00620 0.01992 2 2S -0.07055 0.02278 -0.13127 -0.06480 -0.11297 3 2PX 0.06144 0.08481 -0.10137 -0.02998 0.12171 4 2PY -0.08440 -0.05310 -0.12927 0.21481 0.20612 5 2PZ -0.04690 -0.02419 -0.05761 0.14850 -0.04679 6 3S 0.26809 -0.58460 0.52432 0.71396 0.57916 7 3PX -0.04307 -0.22604 0.03561 0.19883 -0.05232 8 3PY 0.28068 0.50860 0.39611 -0.11250 0.36329 9 3PZ -0.06548 -0.29810 0.23741 0.35070 0.63408 10 4XX 0.03417 0.01957 0.00228 -0.02767 -0.01755 11 4YY 0.00113 -0.01511 0.00251 0.03456 0.01900 12 4ZZ -0.02807 0.00387 -0.02759 -0.00810 0.01277 13 4XY -0.03751 -0.00310 0.00286 0.01805 -0.00453 14 4XZ 0.00444 -0.00507 -0.00765 -0.00859 0.04771 15 4YZ 0.01340 -0.00126 -0.00877 0.00206 -0.01309 16 2 C 1S 0.00078 -0.00937 -0.00433 0.00620 -0.01992 17 2S -0.07054 -0.02279 -0.13127 0.06480 0.11297 18 2PX 0.06146 -0.08481 -0.10137 0.02998 -0.12172 19 2PY 0.08443 -0.05309 0.12927 0.21480 0.20611 20 2PZ -0.04690 0.02418 -0.05760 -0.14849 0.04679 21 3S 0.26802 0.58464 0.52430 -0.71397 -0.57914 22 3PX -0.04311 0.22603 0.03561 -0.19883 0.05233 23 3PY -0.28071 0.50857 -0.39614 -0.11249 0.36329 24 3PZ -0.06554 0.29811 0.23740 -0.35070 -0.63408 25 4XX 0.03418 -0.01957 0.00228 0.02767 0.01755 26 4YY 0.00113 0.01511 0.00251 -0.03456 -0.01900 27 4ZZ -0.02807 -0.00388 -0.02759 0.00810 -0.01277 28 4XY 0.03751 -0.00310 -0.00286 0.01805 -0.00453 29 4XZ 0.00444 0.00507 -0.00765 0.00858 -0.04770 30 4YZ -0.01340 -0.00126 0.00877 0.00206 -0.01309 31 3 C 1S 0.00641 -0.00503 -0.00774 0.01622 -0.01546 32 2S -0.10536 0.06320 0.02856 -0.17537 0.14540 33 2PX 0.11763 -0.07422 -0.22206 0.03720 0.13483 34 2PY 0.15936 -0.07493 -0.04052 0.33204 -0.30612 35 2PZ 0.06824 0.07334 0.35353 0.01943 0.01913 36 3S -0.32745 -0.17816 -0.28478 -0.11290 0.50632 37 3PX -0.15079 0.06332 0.50784 -0.69730 -0.68301 38 3PY 0.12626 -0.29352 0.02167 -0.05638 0.44880 39 3PZ -0.00651 -0.09770 -0.48596 -0.38492 -0.43549 40 4XX -0.01889 0.00370 -0.01841 -0.02709 0.02153 41 4YY 0.01325 -0.01359 0.00782 0.05172 -0.04907 42 4ZZ -0.02151 0.00246 -0.00522 -0.02625 0.04180 43 4XY -0.00707 0.00378 0.01942 -0.01233 0.02879 44 4XZ -0.02291 0.00763 -0.01395 -0.01718 0.03375 45 4YZ -0.00854 0.00493 -0.00031 0.00599 0.00275 46 4 C 1S 0.00980 -0.00507 0.01125 0.01804 0.01633 47 2S -0.02502 0.02302 0.06413 0.00329 0.16506 48 2PX 0.01161 -0.12643 0.29916 -0.23992 0.05177 49 2PY 0.07184 -0.03961 0.01469 -0.10549 -0.29882 50 2PZ 0.15579 0.11738 -0.21890 0.25878 -0.35263 51 3S 0.09667 0.38534 -0.08234 -0.33391 -0.28044 52 3PX -0.01795 0.01032 -0.41930 0.23819 -0.17153 53 3PY -0.12497 0.29644 0.00868 -0.72848 0.07474 54 3PZ -0.21036 -0.30472 0.28495 -0.75179 0.37963 55 4XX 0.00861 -0.00087 -0.00675 0.00928 -0.01458 56 4YY 0.00071 0.01392 0.00548 0.01459 0.07397 57 4ZZ 0.00102 -0.00440 0.03068 0.00051 0.00600 58 4XY -0.00588 0.00500 0.01364 -0.00256 0.00675 59 4XZ 0.02302 0.00419 0.03053 0.03175 0.01453 60 4YZ 0.00242 -0.00069 -0.02795 -0.01402 0.01289 61 5 C 1S 0.00980 0.00507 0.01125 -0.01804 -0.01633 62 2S -0.02502 -0.02302 0.06413 -0.00329 -0.16507 63 2PX 0.01162 0.12644 0.29915 0.23992 -0.05176 64 2PY -0.07184 -0.03962 -0.01468 -0.10549 -0.29882 65 2PZ 0.15579 -0.11737 -0.21889 -0.25879 0.35263 66 3S 0.09671 -0.38532 -0.08234 0.33391 0.28045 67 3PX -0.01796 -0.01034 -0.41929 -0.23818 0.17152 68 3PY 0.12492 0.29646 -0.00868 -0.72847 0.07474 69 3PZ -0.21035 0.30471 0.28492 0.75181 -0.37963 70 4XX 0.00861 0.00087 -0.00674 -0.00928 0.01458 71 4YY 0.00071 -0.01392 0.00548 -0.01459 -0.07397 72 4ZZ 0.00102 0.00440 0.03068 -0.00051 -0.00600 73 4XY 0.00588 0.00500 -0.01364 -0.00256 0.00675 74 4XZ 0.02302 -0.00419 0.03053 -0.03175 -0.01454 75 4YZ -0.00242 -0.00069 0.02795 -0.01401 0.01288 76 6 C 1S 0.00641 0.00503 -0.00774 -0.01623 0.01546 77 2S -0.10535 -0.06321 0.02856 0.17538 -0.14541 78 2PX 0.11764 0.07422 -0.22206 -0.03721 -0.13484 79 2PY -0.15935 -0.07495 0.04052 0.33207 -0.30615 80 2PZ 0.06824 -0.07332 0.35353 -0.01943 -0.01913 81 3S -0.32750 0.17812 -0.28480 0.11292 -0.50635 82 3PX -0.15075 -0.06331 0.50783 0.69731 0.68302 83 3PY -0.12624 -0.29352 -0.02165 -0.05639 0.44886 84 3PZ -0.00648 0.09769 -0.48597 0.38491 0.43549 85 4XX -0.01889 -0.00370 -0.01841 0.02709 -0.02153 86 4YY 0.01325 0.01360 0.00782 -0.05172 0.04908 87 4ZZ -0.02151 -0.00246 -0.00522 0.02625 -0.04180 88 4XY 0.00707 0.00378 -0.01942 -0.01233 0.02879 89 4XZ -0.02291 -0.00763 -0.01395 0.01718 -0.03375 90 4YZ 0.00854 0.00493 0.00031 0.00599 0.00275 91 7 H 1S -0.10092 -0.03126 -0.02690 0.07397 0.19898 92 2S -0.22105 -0.25357 -0.09167 0.23317 -0.06274 93 8 H 1S -0.10093 0.03126 -0.02690 -0.07397 -0.19898 94 2S -0.22108 0.25354 -0.09167 -0.23317 0.06275 95 9 H 1S 0.10495 0.00627 0.14206 0.09957 0.13618 96 2S -0.02327 0.13919 -0.03305 -0.09968 0.07091 97 10 H 1S 0.10495 -0.00626 0.14206 -0.09957 -0.13619 98 2S -0.02326 -0.13919 -0.03305 0.09967 -0.07090 99 11 O 1S -0.01505 0.00686 0.00195 -0.01852 0.01035 100 2S 0.00145 -0.01241 -0.00984 0.00041 -0.03123 101 2PX 0.06030 -0.04064 0.00783 0.05827 0.16358 102 2PY 0.06280 -0.02621 -0.00924 0.13052 -0.12278 103 2PZ -0.00975 0.02836 0.10084 0.01405 0.06203 104 3S 0.26841 -0.15315 -0.00333 0.18896 0.10488 105 3PX -0.05650 0.03961 -0.05171 0.04533 0.06290 106 3PY 0.15007 -0.05943 -0.01384 0.14995 -0.05956 107 3PZ 0.02225 -0.01969 0.03434 0.07762 0.06980 108 4XX -0.00021 -0.00040 -0.00285 0.01518 -0.02694 109 4YY -0.02791 0.00954 -0.00978 -0.07226 0.05846 110 4ZZ -0.00960 -0.00416 0.01038 -0.01079 -0.01030 111 4XY 0.01073 -0.00518 -0.02250 0.01716 -0.01938 112 4XZ 0.00073 -0.00200 -0.00259 0.00193 -0.00282 113 4YZ 0.00167 0.00489 0.01495 -0.00742 0.00224 114 12 O 1S -0.01505 -0.00686 0.00195 0.01852 -0.01035 115 2S 0.00145 0.01241 -0.00984 -0.00041 0.03124 116 2PX 0.06030 0.04064 0.00783 -0.05827 -0.16358 117 2PY -0.06280 -0.02622 0.00924 0.13053 -0.12279 118 2PZ -0.00975 -0.02836 0.10084 -0.01405 -0.06203 119 3S 0.26839 0.15318 -0.00333 -0.18897 -0.10489 120 3PX -0.05650 -0.03961 -0.05171 -0.04532 -0.06290 121 3PY -0.15006 -0.05944 0.01384 0.14996 -0.05957 122 3PZ 0.02224 0.01969 0.03434 -0.07762 -0.06980 123 4XX -0.00021 0.00040 -0.00285 -0.01518 0.02694 124 4YY -0.02791 -0.00955 -0.00978 0.07226 -0.05846 125 4ZZ -0.00960 0.00416 0.01038 0.01079 0.01030 126 4XY -0.01073 -0.00518 0.02250 0.01716 -0.01938 127 4XZ 0.00073 0.00200 -0.00259 -0.00193 0.00282 128 4YZ -0.00167 0.00489 -0.01495 -0.00742 0.00224 129 13 C 1S 0.00451 0.00000 -0.01789 0.00000 0.00000 130 2S -0.31251 -0.00001 0.05826 0.00001 0.00000 131 2PX -0.23535 -0.00001 -0.06785 0.00000 0.00000 132 2PY 0.00002 -0.38682 0.00001 0.24650 0.16999 133 2PZ -0.28279 0.00000 0.22350 0.00001 0.00000 134 3S 1.09474 0.00003 -0.38146 -0.00003 0.00001 135 3PX 0.95372 0.00003 0.22840 -0.00003 0.00000 136 3PY -0.00003 0.48082 0.00000 -0.70190 -0.30066 137 3PZ 1.19701 0.00003 -0.46812 -0.00004 0.00000 138 4XX -0.02368 0.00000 0.01253 0.00000 0.00000 139 4YY 0.01331 0.00000 -0.01326 0.00000 0.00000 140 4ZZ -0.01646 0.00000 -0.02266 0.00000 0.00000 141 4XY 0.00000 -0.00386 0.00000 -0.01886 0.00118 142 4XZ -0.02480 0.00000 -0.02291 0.00000 0.00000 143 4YZ 0.00000 0.01261 0.00000 -0.03409 0.00141 144 14 H 1S 0.01101 0.00000 -0.06335 0.00000 0.00000 145 2S 0.41475 0.00001 -0.06786 -0.00002 0.00000 146 15 H 1S 0.10961 0.00000 -0.00719 -0.00001 0.00000 147 2S 0.18577 0.00001 0.04013 -0.00001 0.00000 148 16 C 1S -0.02293 0.03433 -0.00622 -0.00441 -0.01687 149 2S 0.19878 -0.20269 -0.06051 0.05874 -0.06528 150 2PX -0.04288 -0.00728 0.28270 -0.35657 -0.16144 151 2PY 0.26067 -0.09555 -0.08501 0.10328 -0.02523 152 2PZ 0.32241 -0.28750 0.02431 0.11256 0.08712 153 3S -0.94901 -0.04330 0.12211 -0.54746 0.31798 154 3PX -0.03187 0.03918 -0.50793 0.64173 0.47867 155 3PY -0.98086 -0.09761 0.22095 -0.63111 0.21792 156 3PZ -0.47872 -0.06066 0.06813 -0.17335 0.00837 157 4XX 0.03091 -0.01178 -0.00316 0.01246 0.00548 158 4YY -0.07458 0.01288 -0.01476 -0.00956 -0.01950 159 4ZZ 0.01467 -0.00329 0.00009 -0.01397 -0.00600 160 4XY -0.01271 0.00984 -0.00254 -0.01551 0.00687 161 4XZ -0.04140 0.04079 -0.01043 -0.01708 -0.00953 162 4YZ 0.00587 -0.00055 -0.03058 0.01489 0.00247 163 17 H 1S -0.24662 0.11690 -0.13063 -0.12554 -0.06049 164 2S -0.18129 -0.17729 0.12318 -0.23258 0.13807 165 18 C 1S 0.02873 -0.06892 0.00519 -0.00461 0.00615 166 2S 0.14249 0.13873 0.04217 0.00216 -0.01720 167 2PX -0.20484 0.39564 0.01110 0.16603 0.16419 168 2PY 0.10894 0.26013 0.16007 0.13252 0.03194 169 2PZ 0.15916 -0.23921 0.04360 0.04049 -0.01878 170 3S 0.19157 0.40388 0.05722 0.41061 -0.33582 171 3PX 0.21359 -0.80966 0.09157 -0.48663 -0.31715 172 3PY 0.00713 0.01997 -0.31046 0.20663 -0.11714 173 3PZ -0.32554 -0.22114 -0.03397 -0.26203 0.33298 174 4XX -0.00419 0.03573 -0.01497 0.00611 0.00464 175 4YY 0.01736 -0.05319 0.03183 -0.01738 -0.00530 176 4ZZ 0.06076 -0.02801 -0.00981 0.01636 -0.00261 177 4XY -0.00994 -0.00357 0.02359 -0.00628 -0.00071 178 4XZ 0.06455 -0.04704 -0.00310 0.02061 0.00497 179 4YZ 0.04777 0.00285 0.01930 -0.00130 0.00446 180 19 H 1S 0.07333 -0.22722 -0.03418 0.01189 -0.00759 181 2S 0.07442 0.41477 -0.02347 0.17659 -0.08512 182 20 C 1S -0.02293 -0.03433 -0.00622 0.00441 0.01687 183 2S 0.19876 0.20270 -0.06051 -0.05875 0.06529 184 2PX -0.04287 0.00729 0.28270 0.35658 0.16143 185 2PY -0.26065 -0.09557 0.08501 0.10329 -0.02523 186 2PZ 0.32237 0.28753 0.02430 -0.11257 -0.08713 187 3S -0.94900 0.04325 0.12211 0.54753 -0.31799 188 3PX -0.03190 -0.03920 -0.50792 -0.64174 -0.47865 189 3PY 0.98083 -0.09755 -0.22093 -0.63117 0.21791 190 3PZ -0.47873 0.06063 0.06813 0.17337 -0.00835 191 4XX 0.03091 0.01178 -0.00316 -0.01246 -0.00548 192 4YY -0.07458 -0.01289 -0.01476 0.00957 0.01950 193 4ZZ 0.01467 0.00330 0.00009 0.01397 0.00600 194 4XY 0.01270 0.00985 0.00254 -0.01551 0.00687 195 4XZ -0.04140 -0.04079 -0.01043 0.01708 0.00953 196 4YZ -0.00587 -0.00055 0.03058 0.01489 0.00246 197 21 H 1S -0.24660 -0.11693 -0.13063 0.12556 0.06050 198 2S -0.18130 0.17728 0.12317 0.23259 -0.13806 199 22 C 1S 0.02872 0.06892 0.00519 0.00461 -0.00615 200 2S 0.14251 -0.13872 0.04217 -0.00217 0.01720 201 2PX -0.20482 -0.39565 0.01111 -0.16602 -0.16418 202 2PY -0.10896 0.26012 -0.16007 0.13252 0.03194 203 2PZ 0.15913 0.23921 0.04359 -0.04048 0.01878 204 3S 0.19157 -0.40387 0.05723 -0.41062 0.33581 205 3PX 0.21356 0.80969 0.09154 0.48663 0.31714 206 3PY -0.00711 0.01998 0.31045 0.20663 -0.11714 207 3PZ -0.32554 0.22112 -0.03398 0.26203 -0.33296 208 4XX -0.00419 -0.03573 -0.01497 -0.00611 -0.00464 209 4YY 0.01736 0.05319 0.03183 0.01738 0.00530 210 4ZZ 0.06076 0.02801 -0.00981 -0.01636 0.00261 211 4XY 0.00994 -0.00357 -0.02359 -0.00628 -0.00071 212 4XZ 0.06455 0.04704 -0.00310 -0.02062 -0.00497 213 4YZ -0.04777 0.00285 -0.01930 -0.00130 0.00446 214 23 H 1S 0.07331 0.22722 -0.03419 -0.01188 0.00759 215 2S 0.07445 -0.41476 -0.02345 -0.17660 0.08511 91 92 93 94 95 V V V V V Eigenvalues -- 0.66458 0.67570 0.69245 0.72476 0.72863 1 1 C 1S 0.00278 0.00268 0.00865 0.01228 0.00260 2 2S -0.04938 -0.16079 0.11018 0.01977 0.15820 3 2PX 0.08771 -0.35181 0.15365 -0.24351 0.28087 4 2PY -0.00810 -0.12313 -0.08405 -0.16297 -0.03525 5 2PZ 0.00954 -0.07430 -0.05396 0.35995 -0.06333 6 3S -0.45990 0.06402 -0.15224 0.48432 -0.07607 7 3PX -0.30568 0.63701 -0.26022 0.13081 -0.59315 8 3PY -0.03336 0.61291 0.21670 0.58896 0.00061 9 3PZ -0.25503 0.30301 0.06913 -0.56406 0.10444 10 4XX -0.01451 0.00502 -0.00034 -0.00601 0.03364 11 4YY 0.00963 -0.03350 0.03164 0.02095 -0.00024 12 4ZZ -0.01374 0.00214 -0.00781 0.00814 -0.00834 13 4XY -0.02641 -0.00827 -0.01507 -0.01821 -0.00444 14 4XZ -0.03848 0.00492 0.01400 0.03807 0.03838 15 4YZ -0.01726 -0.00781 -0.02984 -0.00995 -0.00083 16 2 C 1S 0.00278 -0.00268 0.00865 0.01228 -0.00260 17 2S -0.04938 0.16079 0.11017 0.01979 -0.15820 18 2PX 0.08770 0.35181 0.15365 -0.24348 -0.28091 19 2PY 0.00810 -0.12313 0.08405 0.16298 -0.03524 20 2PZ 0.00954 0.07431 -0.05395 0.35995 0.06336 21 3S -0.45991 -0.06402 -0.15226 0.48427 0.07612 22 3PX -0.30567 -0.63702 -0.26023 0.13076 0.59318 23 3PY 0.03337 0.61291 -0.21670 -0.58901 0.00057 24 3PZ -0.25505 -0.30302 0.06909 -0.56406 -0.10449 25 4XX -0.01451 -0.00502 -0.00034 -0.00601 -0.03364 26 4YY 0.00963 0.03350 0.03164 0.02095 0.00024 27 4ZZ -0.01374 -0.00214 -0.00781 0.00814 0.00834 28 4XY 0.02641 -0.00827 0.01507 0.01821 -0.00444 29 4XZ -0.03848 -0.00492 0.01400 0.03808 -0.03838 30 4YZ 0.01726 -0.00781 0.02984 0.00995 -0.00083 31 3 C 1S -0.04845 -0.01152 -0.01402 -0.02533 -0.00733 32 2S 0.14706 0.11144 0.07601 0.02153 -0.06377 33 2PX 0.20871 0.15829 -0.02871 -0.18092 0.01454 34 2PY -0.60266 -0.41747 -0.21542 -0.13024 -0.06531 35 2PZ -0.03836 -0.21099 0.14094 -0.16031 0.07280 36 3S 0.65529 1.00306 0.04624 -0.20607 -0.34253 37 3PX -0.45953 -0.20443 0.17763 0.44558 -0.34158 38 3PY 0.96088 0.30830 0.43979 1.01544 0.51370 39 3PZ -0.03143 0.44411 -0.20601 0.61048 0.00390 40 4XX 0.02968 0.04554 0.01850 0.02022 0.00765 41 4YY -0.09018 -0.04746 -0.02684 -0.06429 -0.07772 42 4ZZ 0.03649 0.02673 0.00502 -0.01083 0.01361 43 4XY 0.01874 -0.01194 0.00591 0.01386 0.01415 44 4XZ 0.00310 0.03607 0.00026 -0.01661 -0.01452 45 4YZ -0.01536 -0.01395 -0.01147 -0.01767 0.02583 46 4 C 1S 0.01504 -0.02605 0.00822 -0.00166 0.02476 47 2S 0.07864 0.06435 0.04778 -0.13307 -0.09060 48 2PX -0.12778 -0.31354 -0.01835 0.08943 -0.32928 49 2PY 0.05399 0.02853 0.01944 0.12141 -0.21671 50 2PZ 0.02562 0.17850 0.02221 -0.04815 0.11999 51 3S -0.26220 0.31745 -0.19702 -0.20488 -0.20339 52 3PX 0.31037 0.73062 -0.00747 0.12312 0.67600 53 3PY -0.15261 0.76793 0.00435 -0.24216 -0.20778 54 3PZ 0.09819 -0.23466 0.04285 0.34263 -0.29318 55 4XX 0.00194 -0.00425 -0.00877 -0.04130 0.00253 56 4YY 0.02732 0.00623 0.01019 0.00645 0.03868 57 4ZZ -0.00756 -0.01633 0.00751 -0.00373 -0.03162 58 4XY -0.03050 0.01077 -0.01925 0.00607 0.00097 59 4XZ 0.00541 -0.04126 0.01071 -0.05167 0.01383 60 4YZ -0.02179 0.01046 -0.00812 -0.01901 -0.00129 61 5 C 1S 0.01504 0.02605 0.00822 -0.00166 -0.02476 62 2S 0.07863 -0.06435 0.04778 -0.13308 0.09059 63 2PX -0.12779 0.31353 -0.01834 0.08940 0.32928 64 2PY -0.05400 0.02853 -0.01944 -0.12139 -0.21672 65 2PZ 0.02565 -0.17850 0.02220 -0.04814 -0.11999 66 3S -0.26219 -0.31745 -0.19701 -0.20487 0.20340 67 3PX 0.31039 -0.73062 -0.00751 0.12317 -0.67598 68 3PY 0.15263 0.76793 -0.00437 0.24216 -0.20775 69 3PZ 0.09815 0.23466 0.04287 0.34259 0.29320 70 4XX 0.00194 0.00425 -0.00877 -0.04130 -0.00253 71 4YY 0.02732 -0.00623 0.01019 0.00645 -0.03868 72 4ZZ -0.00756 0.01633 0.00751 -0.00373 0.03162 73 4XY 0.03050 0.01077 0.01925 -0.00607 0.00097 74 4XZ 0.00540 0.04126 0.01071 -0.05166 -0.01383 75 4YZ 0.02179 0.01046 0.00812 0.01900 -0.00129 76 6 C 1S -0.04845 0.01152 -0.01402 -0.02533 0.00733 77 2S 0.14705 -0.11144 0.07601 0.02152 0.06378 78 2PX 0.20870 -0.15829 -0.02872 -0.18091 -0.01455 79 2PY 0.60265 -0.41747 0.21542 0.13024 -0.06531 80 2PZ -0.03836 0.21099 0.14094 -0.16031 -0.07281 81 3S 0.65527 -1.00305 0.04621 -0.20611 0.34249 82 3PX -0.45951 0.20441 0.17767 0.44555 0.34158 83 3PY -0.96087 0.30829 -0.43976 -1.01543 0.51364 84 3PZ -0.03141 -0.44411 -0.20601 0.61048 -0.00386 85 4XX 0.02968 -0.04554 0.01850 0.02022 -0.00765 86 4YY -0.09017 0.04746 -0.02684 -0.06429 0.07772 87 4ZZ 0.03648 -0.02673 0.00502 -0.01083 -0.01361 88 4XY -0.01873 -0.01194 -0.00591 -0.01386 0.01414 89 4XZ 0.00310 -0.03607 0.00026 -0.01661 0.01452 90 4YZ 0.01536 -0.01395 0.01147 0.01767 0.02583 91 7 H 1S 0.01605 -0.06512 0.12342 0.16232 -0.01110 92 2S -0.10257 -0.04562 -0.10162 -0.52562 -0.08629 93 8 H 1S 0.01604 0.06512 0.12342 0.16231 0.01111 94 2S -0.10256 0.04562 -0.10163 -0.52564 0.08625 95 9 H 1S 0.18927 -0.11055 0.15219 -0.11324 0.14326 96 2S -0.20186 0.22754 -0.04631 -0.16356 -0.20022 97 10 H 1S 0.18927 0.11055 0.15219 -0.11323 -0.14327 98 2S -0.20187 -0.22755 -0.04631 -0.16357 0.20020 99 11 O 1S 0.02531 0.02025 0.00462 -0.00958 -0.01167 100 2S -0.08845 -0.04650 -0.05664 0.05111 0.12024 101 2PX 0.05798 -0.00264 0.04853 -0.02242 -0.00942 102 2PY -0.25321 -0.13049 -0.08615 -0.15062 -0.12278 103 2PZ -0.01004 -0.10570 0.02789 -0.13110 0.09643 104 3S 0.24017 -0.11285 0.21879 0.53267 0.26066 105 3PX 0.05626 0.03548 -0.07531 -0.11297 0.05162 106 3PY -0.13399 -0.21061 -0.01028 0.28264 0.30131 107 3PZ -0.00403 -0.04625 0.01284 0.03107 -0.02072 108 4XX -0.03313 -0.00793 -0.01518 0.00389 0.02601 109 4YY 0.10753 0.06832 0.02256 0.07171 0.07917 110 4ZZ -0.03517 -0.03817 -0.02989 0.00461 0.02051 111 4XY -0.01358 0.00323 -0.01142 -0.02157 -0.00863 112 4XZ -0.00388 -0.00541 -0.00639 0.00340 0.00111 113 4YZ 0.01490 0.00578 0.01525 0.00181 -0.00051 114 12 O 1S 0.02531 -0.02025 0.00462 -0.00958 0.01167 115 2S -0.08845 0.04650 -0.05664 0.05112 -0.12023 116 2PX 0.05797 0.00264 0.04853 -0.02243 0.00942 117 2PY 0.25320 -0.13049 0.08614 0.15062 -0.12277 118 2PZ -0.01004 0.10570 0.02789 -0.13110 -0.09643 119 3S 0.24018 0.11285 0.21879 0.53268 -0.26062 120 3PX 0.05626 -0.03547 -0.07531 -0.11295 -0.05162 121 3PY 0.13399 -0.21061 0.01029 -0.28266 0.30128 122 3PZ -0.00403 0.04625 0.01284 0.03107 0.02072 123 4XX -0.03313 0.00793 -0.01518 0.00390 -0.02601 124 4YY 0.10753 -0.06832 0.02256 0.07171 -0.07916 125 4ZZ -0.03517 0.03817 -0.02989 0.00461 -0.02051 126 4XY 0.01358 0.00323 0.01142 0.02157 -0.00863 127 4XZ -0.00388 0.00541 -0.00639 0.00340 -0.00110 128 4YZ -0.01490 0.00578 -0.01525 -0.00181 -0.00051 129 13 C 1S -0.01592 0.00000 0.04150 0.00522 0.00000 130 2S 0.09781 0.00000 -0.18354 -0.00846 0.00000 131 2PX 0.09694 0.00000 -0.20669 -0.05842 0.00000 132 2PY 0.00000 0.03183 0.00000 -0.00001 0.16868 133 2PZ 0.00749 0.00000 0.02535 -0.08750 0.00000 134 3S -0.42723 -0.00002 0.76021 0.54857 0.00001 135 3PX -0.29981 -0.00001 0.68848 0.37030 0.00002 136 3PY 0.00000 -0.25583 -0.00001 0.00004 -0.41302 137 3PZ -0.07711 -0.00001 -0.06028 0.61019 0.00004 138 4XX -0.00042 0.00000 0.05825 -0.08426 -0.00001 139 4YY -0.01786 0.00000 0.04668 0.04361 0.00000 140 4ZZ 0.01242 0.00000 -0.07517 0.05386 0.00000 141 4XY 0.00000 -0.02786 0.00000 0.00000 0.01757 142 4XZ -0.02494 0.00000 0.01275 0.03849 0.00000 143 4YZ 0.00000 -0.01331 0.00000 0.00000 -0.01383 144 14 H 1S -0.05307 0.00000 -0.03136 0.20713 0.00001 145 2S -0.08364 -0.00001 0.16210 0.13473 0.00001 146 15 H 1S -0.07769 0.00000 0.39110 -0.18908 -0.00002 147 2S -0.13920 0.00000 0.13595 0.38362 0.00002 148 16 C 1S 0.00387 0.00932 -0.00263 -0.01304 -0.00128 149 2S -0.12797 0.11211 0.21775 0.18204 -0.13049 150 2PX 0.12947 -0.14783 -0.36033 0.09053 0.05865 151 2PY -0.08091 0.10358 0.17269 0.28138 0.00906 152 2PZ 0.19735 0.08535 -0.35491 -0.09019 -0.29452 153 3S 0.11055 -0.42829 -0.12404 -0.40595 0.04654 154 3PX -0.27613 0.21592 0.45212 0.19570 -0.07828 155 3PY 0.07513 -0.45257 -0.05879 -0.58237 0.05723 156 3PZ -0.38429 -0.04850 0.98636 0.01837 0.46434 157 4XX 0.01497 -0.00206 -0.02592 -0.00460 0.00803 158 4YY -0.01014 0.01986 -0.00189 -0.02561 -0.01169 159 4ZZ -0.02513 -0.00085 0.07034 0.01695 -0.01129 160 4XY -0.00882 -0.00866 0.02898 -0.04707 0.01256 161 4XZ -0.00693 -0.00223 0.00926 0.00771 -0.00176 162 4YZ -0.01351 0.00410 0.00478 0.02205 0.02157 163 17 H 1S -0.04169 0.02315 0.01610 -0.02481 0.06048 164 2S -0.03823 -0.19090 0.23815 -0.09686 0.03817 165 18 C 1S 0.00719 0.00725 -0.00547 -0.00230 -0.01877 166 2S -0.11409 0.00389 0.19648 0.17205 0.10348 167 2PX -0.03888 -0.03112 -0.12786 0.03443 -0.38585 168 2PY 0.02613 0.05606 -0.00685 0.01135 0.01070 169 2PZ 0.09202 0.04076 -0.19205 0.01148 0.05651 170 3S 0.24704 0.16702 -0.69675 -0.09138 -0.32220 171 3PX 0.01029 -0.05579 0.20246 -0.01824 0.62974 172 3PY -0.00165 0.07004 0.02850 0.04943 0.17718 173 3PZ -0.24649 -0.10989 0.59144 -0.08279 -0.41538 174 4XX 0.00039 0.00046 0.00771 -0.00291 0.02163 175 4YY -0.01319 -0.00453 0.02822 0.01857 -0.00031 176 4ZZ 0.00809 0.01830 -0.02583 0.00582 -0.02253 177 4XY -0.00701 -0.00408 0.01826 -0.02060 -0.00593 178 4XZ 0.00032 0.01212 -0.01351 0.03599 -0.01233 179 4YZ 0.02068 -0.00402 -0.02343 0.02889 -0.01432 180 19 H 1S 0.05191 0.03694 -0.13366 -0.07619 0.01862 181 2S 0.10460 0.01663 -0.14102 0.09818 0.25630 182 20 C 1S 0.00387 -0.00932 -0.00263 -0.01304 0.00128 183 2S -0.12797 -0.11211 0.21775 0.18203 0.13049 184 2PX 0.12947 0.14784 -0.36032 0.09053 -0.05862 185 2PY 0.08090 0.10359 -0.17269 -0.28139 0.00904 186 2PZ 0.19735 -0.08534 -0.35491 -0.09022 0.29452 187 3S 0.11051 0.42831 -0.12404 -0.40594 -0.04655 188 3PX -0.27614 -0.21593 0.45210 0.19570 0.07826 189 3PY -0.07509 -0.45259 0.05879 0.58239 0.05729 190 3PZ -0.38429 0.04849 0.98635 0.01842 -0.46435 191 4XX 0.01497 0.00206 -0.02591 -0.00460 -0.00803 192 4YY -0.01014 -0.01986 -0.00189 -0.02561 0.01168 193 4ZZ -0.02513 0.00085 0.07034 0.01694 0.01129 194 4XY 0.00882 -0.00866 -0.02898 0.04707 0.01256 195 4XZ -0.00693 0.00223 0.00926 0.00771 0.00176 196 4YZ 0.01351 0.00410 -0.00478 -0.02206 0.02157 197 21 H 1S -0.04169 -0.02315 0.01610 -0.02479 -0.06049 198 2S -0.03825 0.19090 0.23815 -0.09688 -0.03819 199 22 C 1S 0.00719 -0.00725 -0.00547 -0.00230 0.01877 200 2S -0.11409 -0.00390 0.19648 0.17207 -0.10346 201 2PX -0.03889 0.03112 -0.12785 0.03439 0.38584 202 2PY -0.02613 0.05606 0.00686 -0.01136 0.01071 203 2PZ 0.09202 -0.04075 -0.19205 0.01147 -0.05651 204 3S 0.24707 -0.16701 -0.69673 -0.09144 0.32218 205 3PX 0.01029 0.05579 0.20245 -0.01819 -0.62972 206 3PY 0.00163 0.07004 -0.02849 -0.04943 0.17716 207 3PZ -0.24651 0.10988 0.59144 -0.08280 0.41536 208 4XX 0.00039 -0.00046 0.00771 -0.00291 -0.02163 209 4YY -0.01319 0.00453 0.02822 0.01857 0.00031 210 4ZZ 0.00809 -0.01830 -0.02583 0.00582 0.02253 211 4XY 0.00701 -0.00408 -0.01826 0.02060 -0.00592 212 4XZ 0.00032 -0.01212 -0.01351 0.03599 0.01233 213 4YZ -0.02068 -0.00402 0.02343 -0.02889 -0.01432 214 23 H 1S 0.05191 -0.03694 -0.13366 -0.07618 -0.01863 215 2S 0.10461 -0.01662 -0.14103 0.09818 -0.25628 96 97 98 99 100 V V V V V Eigenvalues -- 0.74567 0.75002 0.76838 0.79224 0.80418 1 1 C 1S -0.01508 -0.00986 -0.01680 -0.00365 -0.00789 2 2S -0.01944 0.06917 0.05232 -0.05186 0.19773 3 2PX -0.12814 0.08914 -0.08168 -0.36249 -0.03852 4 2PY -0.04233 -0.54480 -0.03431 0.07001 0.15929 5 2PZ 0.11733 -0.16725 -0.11398 -0.04206 0.13457 6 3S 0.15174 -1.86245 1.43287 -0.12052 -0.29837 7 3PX 0.08255 -0.23419 0.85988 1.41177 -0.02572 8 3PY 0.13243 2.24839 -0.58024 0.27854 -0.48362 9 3PZ -0.12216 0.03452 0.93769 0.14222 -0.05723 10 4XX -0.01972 0.03084 0.00393 0.00250 -0.01865 11 4YY 0.00828 -0.09112 0.00475 0.01147 -0.01501 12 4ZZ -0.00607 0.01527 0.01732 -0.01005 0.04134 13 4XY 0.03212 0.00037 0.00746 0.01229 -0.03592 14 4XZ -0.03386 -0.01592 0.02984 -0.02270 0.04516 15 4YZ 0.01488 0.00067 -0.00537 0.00853 -0.02584 16 2 C 1S -0.01508 0.00986 0.01680 0.00365 -0.00789 17 2S -0.01943 -0.06917 -0.05232 0.05187 0.19773 18 2PX -0.12813 -0.08913 0.08167 0.36250 -0.03852 19 2PY 0.04230 -0.54480 -0.03431 0.07001 -0.15928 20 2PZ 0.11732 0.16725 0.11398 0.04205 0.13458 21 3S 0.15190 1.86246 -1.43288 0.12050 -0.29838 22 3PX 0.08257 0.23418 -0.85988 -1.41179 -0.02575 23 3PY -0.13226 2.24838 -0.58024 0.27854 0.48360 24 3PZ -0.12209 -0.03453 -0.93768 -0.14222 -0.05726 25 4XX -0.01972 -0.03084 -0.00393 -0.00250 -0.01865 26 4YY 0.00829 0.09112 -0.00475 -0.01147 -0.01501 27 4ZZ -0.00607 -0.01527 -0.01732 0.01005 0.04134 28 4XY -0.03212 0.00037 0.00746 0.01229 0.03592 29 4XZ -0.03386 0.01593 -0.02984 0.02270 0.04516 30 4YZ -0.01488 0.00067 -0.00538 0.00853 0.02584 31 3 C 1S 0.00279 0.02587 -0.02361 0.02093 0.01980 32 2S 0.14679 0.00503 -0.35869 -0.10688 0.02496 33 2PX 0.15792 -0.02236 -0.24253 -0.16260 0.03933 34 2PY 0.15910 0.15857 -0.15005 -0.01921 -0.14391 35 2PZ 0.10366 0.06796 0.24182 0.13381 -0.05099 36 3S -0.74690 0.52895 1.12650 1.75994 1.20859 37 3PX -0.55342 0.02368 0.11933 0.49663 0.12906 38 3PY -0.06779 -1.19304 1.78535 -0.42866 -0.77282 39 3PZ -0.22189 -0.30420 -0.53710 -0.45970 0.11128 40 4XX 0.00069 0.01311 -0.00123 -0.00075 -0.00991 41 4YY -0.01765 0.04681 -0.09094 0.09724 0.14340 42 4ZZ 0.02048 -0.00252 -0.00541 -0.02293 -0.04092 43 4XY -0.00316 -0.00866 0.01424 -0.02363 -0.03312 44 4XZ 0.01010 0.03344 -0.01696 0.03632 0.01152 45 4YZ 0.00720 0.01101 -0.02803 -0.00015 0.01770 46 4 C 1S 0.00607 0.00376 -0.00158 0.02010 0.00081 47 2S 0.00894 0.10278 -0.16086 0.00024 0.24594 48 2PX -0.22325 0.08716 0.00590 -0.05905 0.07700 49 2PY 0.08200 -0.12456 0.22992 -0.40578 -0.19179 50 2PZ 0.12596 -0.11287 -0.12085 -0.13628 0.03568 51 3S 0.52072 0.91600 -1.43040 0.74080 -0.85169 52 3PX 0.19520 -0.42689 0.38972 -0.06506 -0.21166 53 3PY -0.30897 0.90292 -1.47554 1.39503 0.74116 54 3PZ -0.30525 0.03588 0.97402 0.46329 -0.16955 55 4XX 0.02233 -0.00482 -0.01260 -0.02599 0.01459 56 4YY 0.00866 0.03296 -0.05918 0.07510 -0.00752 57 4ZZ -0.02295 0.01811 -0.01318 -0.01162 0.02943 58 4XY 0.00326 -0.00041 0.00400 -0.00970 -0.02275 59 4XZ 0.03147 0.02150 -0.04258 0.01111 0.02643 60 4YZ 0.02893 -0.00198 0.00012 -0.00796 -0.02587 61 5 C 1S 0.00607 -0.00376 0.00158 -0.02010 0.00081 62 2S 0.00892 -0.10279 0.16086 -0.00024 0.24594 63 2PX -0.22326 -0.08715 -0.00591 0.05906 0.07699 64 2PY -0.08201 -0.12456 0.22992 -0.40578 0.19179 65 2PZ 0.12597 0.11287 0.12085 0.13627 0.03568 66 3S 0.52058 -0.91603 1.43043 -0.74080 -0.85167 67 3PX 0.19528 0.42687 -0.38970 0.06505 -0.21166 68 3PY 0.30910 0.90291 -1.47553 1.39504 -0.74116 69 3PZ -0.30524 -0.03586 -0.97404 -0.46328 -0.16957 70 4XX 0.02233 0.00482 0.01260 0.02599 0.01459 71 4YY 0.00865 -0.03296 0.05918 -0.07510 -0.00752 72 4ZZ -0.02296 -0.01810 0.01318 0.01162 0.02943 73 4XY -0.00326 -0.00041 0.00400 -0.00970 0.02275 74 4XZ 0.03147 -0.02151 0.04259 -0.01111 0.02643 75 4YZ -0.02893 -0.00197 0.00012 -0.00796 0.02587 76 6 C 1S 0.00279 -0.02587 0.02361 -0.02093 0.01980 77 2S 0.14677 -0.00504 0.35870 0.10688 0.02496 78 2PX 0.15792 0.02235 0.24254 0.16260 0.03933 79 2PY -0.15908 0.15858 -0.15005 -0.01921 0.14391 80 2PZ 0.10366 -0.06797 -0.24182 -0.13381 -0.05099 81 3S -0.74689 -0.52893 -1.12653 -1.75993 1.20856 82 3PX -0.55344 -0.02363 -0.11937 -0.49661 0.12904 83 3PY 0.06761 -1.19307 1.78537 -0.42867 0.77284 84 3PZ -0.22187 0.30423 0.53708 0.45968 0.11128 85 4XX 0.00069 -0.01311 0.00123 0.00075 -0.00991 86 4YY -0.01766 -0.04681 0.09094 -0.09724 0.14340 87 4ZZ 0.02048 0.00252 0.00541 0.02293 -0.04092 88 4XY 0.00316 -0.00866 0.01424 -0.02363 0.03311 89 4XZ 0.01010 -0.03344 0.01696 -0.03632 0.01152 90 4YZ -0.00720 0.01101 -0.02803 -0.00015 -0.01770 91 7 H 1S -0.13716 -0.05209 0.05934 -0.10623 0.17320 92 2S 0.04417 -0.35457 0.50493 0.35578 -0.06874 93 8 H 1S -0.13715 0.05210 -0.05935 0.10623 0.17321 94 2S 0.04422 0.35455 -0.50491 -0.35576 -0.06877 95 9 H 1S 0.07453 0.04060 -0.04805 0.10970 0.15290 96 2S -0.10812 0.23839 -0.64058 0.14872 0.35244 97 10 H 1S 0.07453 -0.04061 0.04805 -0.10970 0.15290 98 2S -0.10817 -0.23839 0.64058 -0.14872 0.35244 99 11 O 1S -0.00822 0.00386 -0.01684 0.01157 0.02384 100 2S 0.04825 0.07108 0.15117 -0.01874 -0.19517 101 2PX 0.01755 -0.04753 -0.08052 -0.03630 -0.02658 102 2PY -0.04018 0.12939 -0.19815 0.17469 0.32275 103 2PZ 0.07725 -0.03969 0.01664 0.13494 -0.00429 104 3S 0.14833 -0.77508 0.53595 -0.65115 -0.57021 105 3PX 0.06523 0.03974 -0.06237 0.02685 0.09479 106 3PY 0.20964 -0.23854 0.42498 -0.48598 -0.83584 107 3PZ -0.01292 0.02322 0.08772 -0.04750 -0.07158 108 4XX 0.00732 0.01343 0.03955 0.01341 -0.05418 109 4YY 0.01725 -0.02906 0.08305 -0.06889 -0.11784 110 4ZZ 0.01639 0.03074 0.04521 -0.01030 -0.05737 111 4XY 0.00969 0.01442 -0.01855 -0.00089 0.01322 112 4XZ 0.01483 -0.02641 -0.00144 -0.02225 -0.02711 113 4YZ 0.00351 -0.00096 0.02882 -0.00615 -0.01364 114 12 O 1S -0.00822 -0.00386 0.01684 -0.01157 0.02384 115 2S 0.04825 -0.07109 -0.15117 0.01874 -0.19517 116 2PX 0.01754 0.04753 0.08052 0.03629 -0.02658 117 2PY 0.04020 0.12939 -0.19815 0.17469 -0.32275 118 2PZ 0.07725 0.03968 -0.01663 -0.13493 -0.00429 119 3S 0.14842 0.77509 -0.53595 0.65115 -0.57022 120 3PX 0.06523 -0.03975 0.06237 -0.02684 0.09478 121 3PY -0.20968 -0.23854 0.42498 -0.48598 0.83584 122 3PZ -0.01292 -0.02322 -0.08772 0.04750 -0.07158 123 4XX 0.00732 -0.01344 -0.03955 -0.01341 -0.05418 124 4YY 0.01726 0.02906 -0.08305 0.06889 -0.11784 125 4ZZ 0.01639 -0.03074 -0.04521 0.01030 -0.05737 126 4XY -0.00969 0.01443 -0.01855 -0.00089 -0.01322 127 4XZ 0.01483 0.02641 0.00144 0.02225 -0.02711 128 4YZ -0.00351 -0.00096 0.02882 -0.00616 0.01364 129 13 C 1S -0.01861 0.00000 0.00000 0.00000 -0.00943 130 2S 0.13014 0.00000 0.00000 0.00000 0.08419 131 2PX -0.04200 0.00000 0.00000 0.00000 0.14480 132 2PY 0.00001 0.36245 0.02815 -0.26271 0.00000 133 2PZ 0.13079 0.00000 0.00000 0.00000 -0.23173 134 3S -0.37823 0.00001 -0.00002 0.00002 0.09963 135 3PX 0.34016 0.00000 -0.00001 -0.00001 -0.15484 136 3PY -0.00003 -1.31889 -0.14944 0.49539 -0.00002 137 3PZ -0.34819 0.00002 -0.00002 -0.00002 0.84353 138 4XX -0.03472 0.00000 0.00000 0.00000 -0.01956 139 4YY 0.01732 0.00000 0.00000 0.00000 0.05040 140 4ZZ 0.00326 0.00000 0.00000 0.00000 -0.02097 141 4XY 0.00000 -0.05318 -0.03406 -0.03140 0.00000 142 4XZ -0.02417 0.00000 0.00000 0.00000 -0.00557 143 4YZ 0.00000 -0.01550 -0.00239 -0.00756 0.00000 144 14 H 1S 0.12449 0.00000 0.00000 0.00000 -0.06225 145 2S -0.13569 0.00001 -0.00001 -0.00002 0.60717 146 15 H 1S -0.15034 0.00001 -0.00001 0.00000 -0.06520 147 2S 0.29955 0.00000 0.00000 0.00000 -0.19441 148 16 C 1S 0.00839 0.00969 -0.00438 0.01902 -0.00286 149 2S -0.24096 0.21585 0.03525 0.00613 0.09902 150 2PX 0.30618 -0.12352 -0.15309 0.06541 0.21217 151 2PY -0.08601 0.27197 0.11829 0.08081 0.10320 152 2PZ -0.34410 -0.02772 0.18455 -0.02181 -0.08087 153 3S 0.91307 -0.52003 -0.56491 -0.88931 0.01771 154 3PX -0.54531 0.66130 0.25155 -0.56538 -0.08727 155 3PY 0.18697 -0.80792 -0.31938 -0.85685 -0.35439 156 3PZ 0.81425 0.31589 -0.34261 -0.26077 0.02024 157 4XX -0.00243 -0.03548 -0.01346 -0.00653 -0.00176 158 4YY -0.03515 0.05951 0.01414 0.00553 -0.02509 159 4ZZ 0.02963 -0.00394 -0.01773 0.00124 0.02856 160 4XY -0.01451 0.03579 -0.01306 -0.02610 -0.01500 161 4XZ 0.01088 0.00648 -0.03482 -0.01876 0.03211 162 4YZ 0.01042 0.03269 -0.02295 -0.04080 0.00710 163 17 H 1S -0.04803 0.19194 -0.03820 -0.03312 -0.03710 164 2S 0.03667 -0.47109 -0.10669 -0.39066 -0.13060 165 18 C 1S -0.01369 0.00893 -0.00710 -0.02270 0.00911 166 2S 0.17334 0.17361 -0.04198 0.14400 0.22704 167 2PX -0.35892 0.00986 0.05089 -0.07872 -0.03830 168 2PY -0.15934 0.14820 0.28147 -0.03821 -0.00470 169 2PZ -0.11485 -0.04451 0.22636 0.30203 -0.11867 170 3S -0.86196 -0.72071 -0.01512 0.86726 -0.28766 171 3PX 0.62106 -0.07544 -0.12441 0.01346 0.11258 172 3PY 0.33917 -0.45646 -0.68973 0.75837 0.08725 173 3PZ 0.35689 0.43198 -0.51940 -1.66236 0.17109 174 4XX 0.03676 -0.00028 0.01049 0.02081 -0.00557 175 4YY 0.01095 -0.02199 -0.04348 0.01789 0.02157 176 4ZZ -0.04377 0.04228 0.01491 0.00591 0.02167 177 4XY -0.02785 -0.00661 0.00705 0.00149 -0.03029 178 4XZ -0.00243 0.01332 0.02124 0.01385 0.02354 179 4YZ -0.01133 -0.02184 0.00746 0.00778 0.00552 180 19 H 1S -0.07365 0.03862 -0.10842 -0.10356 0.06256 181 2S 0.03189 -0.33478 0.02508 0.97254 -0.06909 182 20 C 1S 0.00839 -0.00970 0.00439 -0.01902 -0.00286 183 2S -0.24098 -0.21583 -0.03526 -0.00613 0.09902 184 2PX 0.30619 0.12350 0.15309 -0.06541 0.21217 185 2PY 0.08602 0.27196 0.11831 0.08080 -0.10319 186 2PZ -0.34411 0.02775 -0.18457 0.02181 -0.08086 187 3S 0.91310 0.51995 0.56496 0.88931 0.01773 188 3PX -0.54535 -0.66127 -0.25156 0.56540 -0.08729 189 3PY -0.18702 -0.80790 -0.31942 -0.85682 0.35435 190 3PZ 0.81425 -0.31595 0.34266 0.26077 0.02021 191 4XX -0.00243 0.03548 0.01347 0.00653 -0.00176 192 4YY -0.03515 -0.05951 -0.01414 -0.00553 -0.02509 193 4ZZ 0.02963 0.00394 0.01773 -0.00124 0.02856 194 4XY 0.01452 0.03579 -0.01306 -0.02610 0.01500 195 4XZ 0.01088 -0.00648 0.03482 0.01876 0.03211 196 4YZ -0.01042 0.03269 -0.02295 -0.04080 -0.00710 197 21 H 1S -0.04804 -0.19194 0.03820 0.03313 -0.03710 198 2S 0.03670 0.47110 0.10671 0.39064 -0.13059 199 22 C 1S -0.01369 -0.00893 0.00710 0.02270 0.00911 200 2S 0.17334 -0.17361 0.04198 -0.14401 0.22704 201 2PX -0.35894 -0.00983 -0.05090 0.07873 -0.03831 202 2PY 0.15934 0.14819 0.28147 -0.03820 0.00469 203 2PZ -0.11484 0.04452 -0.22637 -0.30201 -0.11867 204 3S -0.86194 0.72078 0.01508 -0.86727 -0.28770 205 3PX 0.62109 0.07540 0.12444 -0.01347 0.11260 206 3PY -0.33918 -0.45643 -0.68974 0.75835 -0.08718 207 3PZ 0.35684 -0.43199 0.51942 1.66232 0.17111 208 4XX 0.03676 0.00028 -0.01048 -0.02081 -0.00557 209 4YY 0.01095 0.02199 0.04348 -0.01789 0.02157 210 4ZZ -0.04378 -0.04227 -0.01491 -0.00591 0.02167 211 4XY 0.02785 -0.00661 0.00705 0.00149 0.03029 212 4XZ -0.00243 -0.01332 -0.02124 -0.01385 0.02354 213 4YZ 0.01132 -0.02185 0.00746 0.00778 -0.00552 214 23 H 1S -0.07366 -0.03862 0.10842 0.10355 0.06256 215 2S 0.03192 0.33478 -0.02509 -0.97251 -0.06912 101 102 103 104 105 V V V V V Eigenvalues -- 0.81543 0.82130 0.82604 0.82685 0.83928 1 1 C 1S 0.00177 -0.00334 -0.00457 -0.01381 0.02357 2 2S 0.03172 0.07424 0.29130 0.01995 -0.00826 3 2PX 0.16192 -0.08013 0.13838 0.08189 0.21741 4 2PY 0.06279 0.23754 0.10290 -0.28640 -0.12543 5 2PZ 0.02235 -0.19394 -0.01332 0.03012 0.26997 6 3S -0.33329 0.35999 -1.14881 -0.17729 -1.24863 7 3PX -0.31824 0.58907 -0.61751 -0.17895 -1.10780 8 3PY -0.29314 -0.59000 -0.56840 0.83879 0.90191 9 3PZ -0.01183 0.68310 -0.09351 0.11091 -1.24176 10 4XX -0.00046 0.01797 -0.04492 0.01195 -0.01475 11 4YY -0.00922 0.03164 0.02128 -0.03841 -0.03056 12 4ZZ 0.01220 -0.02255 0.03560 0.00120 0.01517 13 4XY -0.00878 0.00612 -0.02487 -0.00316 -0.01343 14 4XZ 0.00749 -0.00670 -0.00116 0.01012 0.01833 15 4YZ 0.00757 0.00226 0.04778 -0.00576 -0.01384 16 2 C 1S 0.00177 0.00335 -0.00456 0.01382 -0.02357 17 2S 0.03172 -0.07428 0.29128 -0.02008 0.00826 18 2PX 0.16190 0.08012 0.13834 -0.08195 -0.21741 19 2PY -0.06282 0.23755 -0.10301 -0.28635 -0.12544 20 2PZ 0.02233 0.19394 -0.01332 -0.03012 -0.26997 21 3S -0.33322 -0.35988 -1.14873 0.17781 1.24865 22 3PX -0.31816 -0.58901 -0.61746 0.17924 1.10779 23 3PY 0.29323 -0.59006 0.56872 0.83853 0.90191 24 3PZ -0.01175 -0.68309 -0.09358 -0.11086 1.24176 25 4XX -0.00045 -0.01797 -0.04492 -0.01193 0.01475 26 4YY -0.00922 -0.03164 0.02130 0.03840 0.03056 27 4ZZ 0.01220 0.02254 0.03560 -0.00121 -0.01517 28 4XY 0.00878 0.00611 0.02487 -0.00317 -0.01343 29 4XZ 0.00749 0.00670 -0.00116 -0.01012 -0.01833 30 4YZ -0.00757 0.00227 -0.04778 -0.00574 -0.01384 31 3 C 1S 0.00753 -0.00959 -0.00550 -0.00003 0.00115 32 2S -0.00739 -0.04890 -0.17063 0.04454 0.23486 33 2PX -0.05774 -0.02539 -0.10920 -0.02787 0.09566 34 2PY -0.02265 -0.03950 0.04054 -0.00470 0.07823 35 2PZ 0.11434 0.03454 0.19828 0.00443 -0.03151 36 3S 0.51046 0.00554 0.77506 0.32236 -1.84781 37 3PX 0.04970 -0.09081 -0.15891 -0.13978 -0.15316 38 3PY -0.09269 0.55597 0.33704 0.13165 -0.92616 39 3PZ -0.31810 -0.25009 -0.80586 -0.08597 0.00054 40 4XX 0.01076 0.02515 0.05149 0.00262 0.00685 41 4YY 0.02556 -0.03066 -0.03961 0.01088 -0.05574 42 4ZZ -0.01272 -0.01796 -0.03623 0.00128 0.03172 43 4XY -0.00764 -0.00326 -0.00770 -0.00141 0.02168 44 4XZ 0.02387 -0.01113 0.01515 0.00704 -0.00370 45 4YZ 0.00032 -0.01744 -0.01610 0.01396 0.00719 46 4 C 1S 0.00138 -0.01211 0.00434 0.00340 -0.00947 47 2S 0.19203 0.00762 -0.11633 0.00062 0.12817 48 2PX -0.03770 0.10412 -0.08754 -0.08638 0.11913 49 2PY -0.04320 0.07662 0.12403 0.11526 -0.04860 50 2PZ -0.00477 0.02779 -0.12377 -0.05439 0.17594 51 3S -0.27498 -0.39559 0.54622 -0.38902 0.67669 52 3PX -0.02539 -0.27384 0.09741 0.38440 -0.67686 53 3PY 0.12011 -0.48827 -0.40419 -0.56667 0.33058 54 3PZ 0.00527 -0.02261 0.27221 0.33144 -0.98704 55 4XX -0.00301 -0.01159 -0.03577 0.00579 0.01749 56 4YY 0.01522 -0.01276 0.00085 -0.02544 0.01981 57 4ZZ 0.01178 0.01005 0.01121 0.00538 0.00863 58 4XY -0.01081 0.00468 -0.03228 -0.00111 0.00981 59 4XZ 0.01182 -0.02318 -0.00768 0.00714 0.01267 60 4YZ 0.00958 0.00718 0.00337 -0.00344 0.01325 61 5 C 1S 0.00138 0.01211 0.00434 -0.00340 0.00947 62 2S 0.19202 -0.00760 -0.11633 -0.00057 -0.12818 63 2PX -0.03770 -0.10412 -0.08752 0.08642 -0.11912 64 2PY 0.04321 0.07663 -0.12397 0.11532 -0.04860 65 2PZ -0.00477 -0.02779 -0.12375 0.05444 -0.17594 66 3S -0.27499 0.39554 0.54644 0.38877 -0.67668 67 3PX -0.02540 0.27384 0.09729 -0.38444 0.67685 68 3PY -0.12014 -0.48830 0.40388 -0.56686 0.33059 69 3PZ 0.00529 0.02259 0.27208 -0.33157 0.98704 70 4XX -0.00301 0.01160 -0.03577 -0.00577 -0.01749 71 4YY 0.01522 0.01276 0.00086 0.02544 -0.01981 72 4ZZ 0.01178 -0.01005 0.01121 -0.00538 -0.00863 73 4XY 0.01081 0.00468 0.03228 -0.00113 0.00981 74 4XZ 0.01182 0.02318 -0.00768 -0.00713 -0.01267 75 4YZ -0.00958 0.00718 -0.00338 -0.00344 0.01325 76 6 C 1S 0.00753 0.00959 -0.00550 0.00003 -0.00115 77 2S -0.00740 0.04891 -0.17066 -0.04447 -0.23485 78 2PX -0.05775 0.02540 -0.10918 0.02792 -0.09566 79 2PY 0.02265 -0.03949 -0.04054 -0.00469 0.07824 80 2PZ 0.11434 -0.03455 0.19828 -0.00452 0.03150 81 3S 0.51054 -0.00561 0.77499 -0.32272 1.84779 82 3PX 0.04971 0.09082 -0.15885 0.13984 0.15318 83 3PY 0.09265 0.55599 -0.33694 0.13182 -0.92617 84 3PZ -0.31811 0.25015 -0.80580 0.08634 -0.00053 85 4XX 0.01076 -0.02516 0.05148 -0.00264 -0.00685 86 4YY 0.02556 0.03066 -0.03961 -0.01087 0.05574 87 4ZZ -0.01272 0.01797 -0.03623 -0.00126 -0.03172 88 4XY 0.00764 -0.00326 0.00770 -0.00141 0.02168 89 4XZ 0.02387 0.01113 0.01515 -0.00705 0.00370 90 4YZ -0.00031 -0.01744 0.01611 0.01395 0.00719 91 7 H 1S 0.00325 -0.16102 -0.06324 0.02655 0.20694 92 2S 0.06140 0.64905 0.22147 -0.24700 -0.97032 93 8 H 1S 0.00323 0.16102 -0.06324 -0.02652 -0.20695 94 2S 0.06148 -0.64907 0.22154 0.24690 0.97031 95 9 H 1S 0.03885 -0.11519 0.10353 0.03875 -0.10079 96 2S 0.09060 0.11108 -0.40814 -0.41898 0.64475 97 10 H 1S 0.03885 0.11518 0.10353 -0.03879 0.10078 98 2S 0.09061 -0.11105 -0.40798 0.41917 -0.64475 99 11 O 1S 0.00301 -0.00405 -0.00541 -0.00153 0.00001 100 2S -0.01617 -0.01327 0.12700 0.00796 0.07329 101 2PX -0.05073 0.04352 -0.10991 -0.01649 -0.01134 102 2PY 0.05263 -0.09668 -0.09522 0.03954 -0.08213 103 2PZ 0.05926 -0.02943 0.07524 -0.05999 -0.02697 104 3S -0.15846 0.31769 -0.12659 0.01552 -0.18019 105 3PX 0.05101 -0.06409 0.06382 0.00358 0.04576 106 3PY -0.14905 0.19031 0.17944 -0.06205 0.19330 107 3PZ -0.01856 0.08235 0.04205 0.04223 0.02480 108 4XX 0.00080 0.00536 0.05057 -0.00603 0.01061 109 4YY -0.02370 0.01586 0.03660 -0.00228 0.05558 110 4ZZ -0.00929 -0.00748 0.03236 -0.00201 0.02289 111 4XY -0.00016 -0.00691 0.01067 0.00776 -0.00298 112 4XZ -0.00940 0.00506 -0.01191 -0.00512 0.00589 113 4YZ 0.00508 0.00589 0.02153 0.00532 -0.00076 114 12 O 1S 0.00301 0.00405 -0.00541 0.00153 -0.00001 115 2S -0.01617 0.01326 0.12699 -0.00802 -0.07330 116 2PX -0.05072 -0.04351 -0.10990 0.01654 0.01134 117 2PY -0.05263 -0.09668 0.09522 0.03950 -0.08214 118 2PZ 0.05927 0.02942 0.07527 0.05996 0.02697 119 3S -0.15845 -0.31768 -0.12663 -0.01547 0.18021 120 3PX 0.05101 0.06407 0.06383 -0.00360 -0.04577 121 3PY 0.14905 0.19032 -0.17944 -0.06198 0.19330 122 3PZ -0.01856 -0.08235 0.04202 -0.04225 -0.02480 123 4XX 0.00080 -0.00537 0.05057 0.00601 -0.01061 124 4YY -0.02370 -0.01587 0.03660 0.00226 -0.05558 125 4ZZ -0.00929 0.00748 0.03236 0.00199 -0.02290 126 4XY 0.00016 -0.00691 -0.01067 0.00776 -0.00298 127 4XZ -0.00940 -0.00506 -0.01191 0.00512 -0.00589 128 4YZ -0.00508 0.00589 -0.02153 0.00533 -0.00076 129 13 C 1S 0.01585 0.00000 -0.00897 0.00000 0.00000 130 2S -0.08624 0.00000 -0.01276 0.00000 0.00000 131 2PX -0.19791 -0.00004 0.56667 -0.00013 0.00000 132 2PY 0.00000 0.21507 0.00005 0.14871 -0.20090 133 2PZ 0.36040 0.00005 -0.62328 0.00014 0.00000 134 3S 1.26244 -0.00002 0.79569 -0.00019 -0.00002 135 3PX 0.51579 0.00010 -1.40229 0.00032 0.00000 136 3PY 0.00004 -1.55338 -0.00024 -0.58990 0.84960 137 3PZ -0.73751 -0.00014 1.41478 -0.00032 0.00000 138 4XX -0.04126 0.00000 0.04097 -0.00001 0.00000 139 4YY 0.00079 0.00000 0.03416 -0.00001 0.00000 140 4ZZ 0.07543 0.00001 -0.05597 0.00001 0.00000 141 4XY 0.00000 -0.03777 0.00000 -0.01017 0.00161 142 4XZ 0.06742 0.00000 0.03829 -0.00001 0.00000 143 4YZ 0.00000 -0.06462 -0.00001 -0.00982 -0.02501 144 14 H 1S 0.14261 0.00003 -0.37636 0.00008 0.00000 145 2S -1.00088 -0.00011 0.98633 -0.00022 0.00000 146 15 H 1S -0.30120 -0.00001 -0.00335 0.00001 0.00000 147 2S 0.59423 0.00010 -1.19990 0.00027 0.00000 148 16 C 1S 0.02077 0.02246 0.00324 -0.03723 0.00766 149 2S -0.00141 -0.08336 -0.09026 0.28498 -0.08458 150 2PX -0.04772 -0.11173 0.01998 -0.20058 0.17194 151 2PY 0.30533 0.38235 0.19292 -0.35827 0.32077 152 2PZ 0.04044 -0.27418 -0.05987 -0.10621 0.23628 153 3S -0.62113 -0.24489 0.03389 -1.02040 -0.96912 154 3PX 0.01027 0.68734 0.30065 0.70747 -0.69550 155 3PY -1.33591 -1.63427 -0.62449 0.85033 -1.33623 156 3PZ -0.14931 1.19009 -0.03190 0.41722 -1.56773 157 4XX 0.00491 -0.02080 -0.00833 0.03935 0.01267 158 4YY 0.02437 0.00801 -0.00053 -0.06445 0.02953 159 4ZZ -0.03328 0.00285 -0.00765 0.03588 -0.07931 160 4XY -0.01638 0.00645 -0.00305 -0.01951 0.00035 161 4XZ -0.00252 0.00245 0.00133 0.00363 -0.01122 162 4YZ 0.00075 0.00934 -0.01333 -0.05105 -0.04221 163 17 H 1S 0.16799 0.19303 0.03885 -0.28771 0.18826 164 2S -0.80793 -0.77679 -0.35854 1.21623 -1.07297 165 18 C 1S -0.03244 -0.00640 0.00112 -0.01973 -0.00187 166 2S 0.16501 0.00262 -0.06718 0.11636 -0.02259 167 2PX 0.06462 0.14318 -0.03377 0.16456 0.15036 168 2PY -0.33465 -0.52956 -0.03510 -0.32502 -0.10626 169 2PZ 0.41612 -0.02290 0.07536 0.33735 0.47079 170 3S -0.46062 1.24728 -0.01869 0.17303 1.60744 171 3PX -0.38129 -0.44914 0.01979 -0.61483 -0.76230 172 3PY 0.99928 2.64837 0.20578 1.32721 0.42919 173 3PZ -1.34934 -0.09909 -0.19863 -0.95134 -2.53014 174 4XX 0.03893 -0.01247 0.02617 0.01217 -0.00668 175 4YY -0.01922 0.08628 -0.01529 0.05866 0.01902 176 4ZZ 0.00683 -0.03621 -0.01265 -0.03312 0.04821 177 4XY 0.01974 -0.00510 -0.03078 0.01066 0.00222 178 4XZ -0.01599 -0.01096 0.01914 -0.01935 0.00191 179 4YZ 0.07516 -0.01989 -0.00260 0.03982 0.00499 180 19 H 1S -0.28240 -0.10073 0.01730 -0.27279 -0.11968 181 2S 1.46531 0.88806 0.13043 1.25839 1.22610 182 20 C 1S 0.02077 -0.02246 0.00326 0.03723 -0.00766 183 2S -0.00142 0.08337 -0.09039 -0.28494 0.08458 184 2PX -0.04773 0.11172 0.02009 0.20056 -0.17194 185 2PY -0.30535 0.38236 -0.19304 -0.35818 0.32078 186 2PZ 0.04042 0.27419 -0.05978 0.10624 -0.23628 187 3S -0.62114 0.24488 0.03439 1.02038 0.96912 188 3PX 0.01030 -0.68738 0.30023 -0.70760 0.69550 189 3PY 1.33600 -1.63430 0.62468 0.85002 -1.33626 190 3PZ -0.14923 -1.19006 -0.03223 -0.41723 1.56774 191 4XX 0.00491 0.02080 -0.00834 -0.03934 -0.01267 192 4YY 0.02437 -0.00801 -0.00051 0.06445 -0.02953 193 4ZZ -0.03328 -0.00285 -0.00767 -0.03588 0.07931 194 4XY 0.01638 0.00645 0.00304 -0.01951 0.00035 195 4XZ -0.00252 -0.00245 0.00133 -0.00363 0.01122 196 4YZ -0.00075 0.00934 0.01330 -0.05106 -0.04220 197 21 H 1S 0.16800 -0.19303 0.03896 0.28769 -0.18827 198 2S -0.80797 0.77680 -0.35899 -1.21606 1.07300 199 22 C 1S -0.03244 0.00640 0.00113 0.01973 0.00187 200 2S 0.16502 -0.00260 -0.06723 -0.11634 0.02258 201 2PX 0.06462 -0.14317 -0.03386 -0.16455 -0.15036 202 2PY 0.33467 -0.52955 0.03489 -0.32504 -0.10628 203 2PZ 0.41612 0.02292 0.07521 -0.33739 -0.47080 204 3S -0.46056 -1.24732 -0.01891 -0.17299 -1.60741 205 3PX -0.38130 0.44912 0.02013 0.61482 0.76231 206 3PY -0.99943 2.64834 -0.20487 1.32732 0.42923 207 3PZ -1.34934 0.09903 -0.19819 0.95145 2.53017 208 4XX 0.03893 0.01247 0.02616 -0.01218 0.00668 209 4YY -0.01922 -0.08628 -0.01533 -0.05865 -0.01902 210 4ZZ 0.00683 0.03621 -0.01263 0.03312 -0.04821 211 4XY -0.01974 -0.00511 0.03078 0.01064 0.00222 212 4XZ -0.01599 0.01095 0.01915 0.01935 -0.00191 213 4YZ -0.07515 -0.01989 0.00261 0.03982 0.00500 214 23 H 1S -0.28240 0.10071 0.01744 0.27279 0.11969 215 2S 1.46535 -0.88800 0.12976 -1.25848 -1.22614 106 107 108 109 110 V V V V V Eigenvalues -- 0.84247 0.86571 0.87300 0.88291 0.89339 1 1 C 1S -0.01352 0.00880 0.00942 0.01176 -0.00026 2 2S 0.07524 -0.39881 -0.25190 0.07543 -0.27483 3 2PX -0.01103 0.19039 -0.12633 0.28963 0.11409 4 2PY 0.06832 -0.16665 -0.21442 -0.03151 -0.13469 5 2PZ -0.15185 0.26788 0.55889 0.14036 0.24760 6 3S -0.28947 0.75454 0.03315 -0.62297 0.44755 7 3PX -0.08176 -0.51106 0.17461 -0.65188 -0.27959 8 3PY -0.55875 0.31607 1.04491 -0.14914 0.17739 9 3PZ 0.37272 -0.62076 -1.78756 -0.44664 -0.46935 10 4XX 0.00076 -0.03332 -0.01203 0.00873 -0.02485 11 4YY 0.01379 -0.02711 -0.04136 0.00841 -0.02633 12 4ZZ -0.01297 0.00505 0.00340 -0.00332 -0.00418 13 4XY -0.00679 -0.04075 -0.00472 -0.04454 -0.02057 14 4XZ -0.02603 0.01814 0.01176 0.03581 0.00253 15 4YZ -0.00031 -0.03715 -0.02134 -0.00487 -0.05059 16 2 C 1S 0.01352 0.00879 -0.00942 0.01176 -0.00026 17 2S -0.07525 -0.39879 0.25192 0.07542 -0.27484 18 2PX 0.01103 0.19040 0.12633 0.28963 0.11409 19 2PY 0.06832 0.16664 -0.21443 0.03150 0.13469 20 2PZ 0.15185 0.26785 -0.55891 0.14037 0.24760 21 3S 0.28947 0.75455 -0.03316 -0.62293 0.44756 22 3PX 0.08178 -0.51105 -0.17459 -0.65188 -0.27959 23 3PY -0.55874 -0.31602 1.04490 0.14916 -0.17738 24 3PZ -0.37272 -0.62066 1.78761 -0.44666 -0.46936 25 4XX -0.00076 -0.03332 0.01203 0.00873 -0.02485 26 4YY -0.01379 -0.02711 0.04137 0.00841 -0.02633 27 4ZZ 0.01298 0.00505 -0.00340 -0.00332 -0.00418 28 4XY -0.00679 0.04075 -0.00473 0.04454 0.02057 29 4XZ 0.02602 0.01814 -0.01175 0.03581 0.00253 30 4YZ -0.00031 0.03715 -0.02134 0.00487 0.05060 31 3 C 1S -0.00297 -0.00108 -0.00236 -0.00558 -0.01131 32 2S 0.13084 -0.05285 -0.13734 -0.29265 -0.26619 33 2PX -0.10815 0.00072 -0.08662 0.07542 0.04239 34 2PY 0.06565 0.01447 0.01511 0.00559 0.09619 35 2PZ -0.00149 0.05789 0.04773 0.10107 -0.03554 36 3S -1.25612 0.05515 -0.13399 0.86217 0.83197 37 3PX 0.23004 -0.08546 0.42106 -0.37488 -0.09911 38 3PY -0.46808 0.03261 -0.38862 0.24667 0.25308 39 3PZ 0.07728 -0.18449 -0.42984 -0.48301 0.11062 40 4XX 0.02122 0.02364 0.03715 0.01558 -0.02557 41 4YY -0.07100 -0.03093 -0.07347 -0.01196 0.02397 42 4ZZ 0.02028 -0.00560 -0.00955 -0.03512 -0.02066 43 4XY -0.02354 0.00245 0.01258 -0.01951 -0.00518 44 4XZ 0.00094 0.00852 -0.00125 -0.00711 -0.02451 45 4YZ -0.03233 -0.00484 -0.01450 -0.03145 0.00472 46 4 C 1S -0.02608 -0.01354 -0.00004 -0.00430 0.00716 47 2S 0.16340 0.47467 -0.16339 -0.22990 -0.30419 48 2PX 0.40041 0.23149 0.09248 0.04857 -0.23750 49 2PY -0.36737 -0.21971 -0.18490 0.04038 0.17963 50 2PZ 0.41095 0.26827 -0.01768 -0.02799 -0.25035 51 3S 0.96577 -0.99591 0.98958 0.44125 0.57396 52 3PX -1.57347 -0.55270 -0.50332 -0.10741 0.51958 53 3PY 1.65584 0.46012 0.70587 -0.13024 -0.29842 54 3PZ -1.63071 -0.58969 -0.00915 0.00129 0.54503 55 4XX -0.00834 0.00032 -0.02961 -0.02409 -0.01707 56 4YY 0.08017 0.03910 0.02984 -0.02112 -0.02518 57 4ZZ -0.01393 0.01823 -0.01249 0.00629 -0.00661 58 4XY 0.01821 0.05383 -0.00337 -0.01476 -0.04044 59 4XZ -0.04228 -0.04093 -0.02357 -0.02648 0.03081 60 4YZ 0.02039 0.06809 0.00810 -0.00856 -0.06423 61 5 C 1S 0.02608 -0.01354 0.00004 -0.00430 0.00716 62 2S -0.16339 0.47468 0.16337 -0.22990 -0.30419 63 2PX -0.40041 0.23148 -0.09249 0.04857 -0.23750 64 2PY -0.36737 0.21970 -0.18490 -0.04039 -0.17964 65 2PZ -0.41094 0.26827 0.01767 -0.02800 -0.25035 66 3S -0.96578 -0.99595 -0.98956 0.44123 0.57394 67 3PX 1.57345 -0.55268 0.50334 -0.10742 0.51958 68 3PY 1.65585 -0.46010 0.70588 0.13029 0.29846 69 3PZ 1.63070 -0.58970 0.00917 0.00130 0.54503 70 4XX 0.00834 0.00032 0.02961 -0.02409 -0.01707 71 4YY -0.08017 0.03910 -0.02984 -0.02112 -0.02518 72 4ZZ 0.01393 0.01823 0.01249 0.00629 -0.00661 73 4XY 0.01821 -0.05384 -0.00336 0.01476 0.04044 74 4XZ 0.04228 -0.04093 0.02357 -0.02648 0.03081 75 4YZ 0.02039 -0.06809 0.00810 0.00856 0.06423 76 6 C 1S 0.00297 -0.00108 0.00236 -0.00558 -0.01131 77 2S -0.13084 -0.05284 0.13734 -0.29265 -0.26618 78 2PX 0.10815 0.00073 0.08662 0.07542 0.04239 79 2PY 0.06565 -0.01447 0.01511 -0.00559 -0.09619 80 2PZ 0.00149 0.05788 -0.04774 0.10107 -0.03554 81 3S 1.25612 0.05517 0.13398 0.86214 0.83194 82 3PX -0.23004 -0.08549 -0.42104 -0.37488 -0.09911 83 3PY -0.46807 -0.03263 -0.38862 -0.24668 -0.25309 84 3PZ -0.07728 -0.18447 0.42988 -0.48303 0.11063 85 4XX -0.02122 0.02363 -0.03716 0.01558 -0.02557 86 4YY 0.07100 -0.03093 0.07347 -0.01196 0.02397 87 4ZZ -0.02028 -0.00560 0.00956 -0.03512 -0.02066 88 4XY -0.02355 -0.00245 0.01258 0.01951 0.00518 89 4XZ -0.00094 0.00852 0.00125 -0.00711 -0.02451 90 4YZ -0.03233 0.00484 -0.01450 0.03145 -0.00472 91 7 H 1S -0.10439 0.18049 0.22643 0.04191 0.23709 92 2S 0.49535 -0.88663 -1.41350 -0.29105 -0.65969 93 8 H 1S 0.10439 0.18048 -0.22644 0.04191 0.23709 94 2S -0.49534 -0.88655 1.41354 -0.29105 -0.65969 95 9 H 1S -0.38440 -0.29926 -0.05095 0.08508 0.30416 96 2S 1.86118 1.18419 0.29338 -0.12006 -0.98446 97 10 H 1S 0.38440 -0.29925 0.05097 0.08508 0.30416 98 2S -1.86117 1.18419 -0.29343 -0.12008 -0.98447 99 11 O 1S -0.00619 -0.00238 -0.00194 -0.00204 -0.00307 100 2S 0.11049 0.05988 0.15748 -0.01404 -0.11002 101 2PX 0.01441 0.06606 -0.05666 0.02067 0.04437 102 2PY -0.09491 -0.06021 -0.08852 -0.00108 0.08340 103 2PZ 0.00984 0.01622 0.09551 0.02745 -0.02135 104 3S -0.08025 -0.05086 -0.38632 0.00696 0.17350 105 3PX -0.04721 -0.03156 -0.03667 -0.00069 -0.04365 106 3PY 0.26073 0.12864 0.16631 0.02649 -0.06346 107 3PZ 0.01248 0.05728 -0.02642 0.02772 0.00850 108 4XX 0.02701 0.02837 0.06296 0.00842 -0.02160 109 4YY 0.05881 0.02468 0.06190 -0.02007 -0.07206 110 4ZZ 0.02445 0.01118 0.02969 0.00035 -0.01765 111 4XY -0.01379 -0.01642 0.00520 0.01872 0.01433 112 4XZ 0.00113 0.00235 -0.01484 -0.01100 -0.00924 113 4YZ -0.00425 -0.01215 0.01002 0.01266 -0.00959 114 12 O 1S 0.00619 -0.00238 0.00194 -0.00204 -0.00307 115 2S -0.11049 0.05988 -0.15748 -0.01405 -0.11002 116 2PX -0.01441 0.06606 0.05666 0.02067 0.04437 117 2PY -0.09491 0.06020 -0.08852 0.00108 -0.08340 118 2PZ -0.00984 0.01622 -0.09551 0.02745 -0.02135 119 3S 0.08024 -0.05084 0.38632 0.00697 0.17352 120 3PX 0.04721 -0.03155 0.03667 -0.00069 -0.04365 121 3PY 0.26074 -0.12863 0.16632 -0.02649 0.06346 122 3PZ -0.01248 0.05728 0.02641 0.02772 0.00850 123 4XX -0.02701 0.02836 -0.06296 0.00842 -0.02160 124 4YY -0.05881 0.02467 -0.06190 -0.02007 -0.07206 125 4ZZ -0.02445 0.01118 -0.02970 0.00034 -0.01765 126 4XY -0.01379 0.01642 0.00520 -0.01872 -0.01433 127 4XZ -0.00113 0.00235 0.01484 -0.01100 -0.00924 128 4YZ -0.00425 0.01215 0.01002 -0.01266 0.00959 129 13 C 1S 0.00000 -0.00018 0.00000 -0.02413 0.01834 130 2S 0.00000 -0.41075 0.00001 0.13740 -0.64827 131 2PX 0.00000 0.31753 -0.00001 -0.29534 0.28335 132 2PY 0.09640 0.00000 -0.00306 0.00000 0.00000 133 2PZ 0.00000 -0.02916 0.00000 0.30973 0.19897 134 3S 0.00000 1.06461 -0.00004 0.26337 1.07135 135 3PX 0.00000 -0.80191 0.00004 0.34904 -0.63155 136 3PY -0.26436 -0.00002 -0.47114 0.00001 0.00001 137 3PZ 0.00000 -0.07830 0.00000 -0.70085 -0.52259 138 4XX 0.00000 0.04624 0.00000 -0.06972 0.03746 139 4YY 0.00000 -0.05696 0.00000 0.04038 -0.12111 140 4ZZ 0.00000 -0.03829 0.00000 0.04765 -0.00048 141 4XY -0.00108 0.00000 -0.01414 0.00000 0.00000 142 4XZ 0.00000 -0.01898 0.00000 0.06607 -0.04663 143 4YZ 0.01481 0.00000 -0.02077 0.00000 0.00000 144 14 H 1S 0.00000 -0.08737 0.00000 -0.07286 0.25765 145 2S 0.00000 -0.14239 0.00001 -0.62432 -0.74305 146 15 H 1S 0.00000 0.16428 0.00000 -0.59985 0.39547 147 2S 0.00000 -0.94646 0.00003 0.85888 -0.98686 148 16 C 1S -0.01515 0.00165 0.01629 0.01325 -0.00405 149 2S 0.17294 -0.20301 -0.02947 -0.18474 -0.13280 150 2PX -0.07295 0.00959 -0.18767 -0.03394 0.07043 151 2PY -0.21580 -0.00936 0.00329 0.14215 -0.02239 152 2PZ -0.02252 -0.05415 -0.13198 0.00713 0.01487 153 3S -0.29844 0.42503 0.38908 0.65987 0.30146 154 3PX 0.26358 0.01993 0.36312 0.12578 -0.19221 155 3PY 0.78865 -0.06868 -0.17169 -0.31043 0.14738 156 3PZ 0.22377 0.31328 0.84529 0.36788 -0.01849 157 4XX -0.00173 -0.01225 0.00776 -0.01216 -0.01277 158 4YY -0.01226 -0.00595 -0.00896 0.04432 0.00742 159 4ZZ 0.02728 -0.00227 0.02117 -0.03024 -0.01603 160 4XY -0.00582 0.00702 -0.00460 -0.03731 0.02885 161 4XZ -0.00451 -0.03079 0.01103 0.01545 -0.02737 162 4YZ -0.00172 0.00136 0.00900 0.04576 0.01516 163 17 H 1S -0.14437 -0.03921 -0.00528 0.10804 0.02224 164 2S 0.69963 -0.06595 0.02961 -0.39527 -0.05438 165 18 C 1S -0.00302 -0.00201 0.00428 0.00947 -0.00579 166 2S 0.10573 -0.05653 -0.22924 -0.18337 -0.01346 167 2PX -0.03377 -0.00952 -0.10245 -0.05480 0.07811 168 2PY 0.12619 -0.07053 -0.15420 0.11682 -0.04172 169 2PZ 0.02905 0.00344 -0.26490 -0.26762 0.02066 170 3S -0.89143 -0.32289 0.50851 0.15405 -0.01853 171 3PX 0.10997 0.05422 0.29946 0.09675 -0.04067 172 3PY -0.59310 0.28661 0.77699 -0.00019 0.05202 173 3PZ 0.16705 0.00331 1.24198 0.51350 -0.04137 174 4XX 0.01343 0.02695 -0.00350 -0.04351 0.00924 175 4YY -0.01604 -0.01562 0.01729 -0.01226 -0.01049 176 4ZZ -0.00196 -0.01803 -0.04578 0.02335 0.00044 177 4XY 0.00379 -0.00953 0.00114 -0.05003 -0.00128 178 4XZ 0.00738 0.02189 -0.02171 0.02637 0.01017 179 4YZ 0.00951 -0.02720 -0.00598 -0.09955 -0.00464 180 19 H 1S -0.01174 0.07462 0.00934 0.38213 -0.03329 181 2S -0.11972 0.05845 -0.44840 -0.75292 0.05415 182 20 C 1S 0.01515 0.00165 -0.01629 0.01325 -0.00404 183 2S -0.17294 -0.20300 0.02948 -0.18473 -0.13280 184 2PX 0.07295 0.00960 0.18767 -0.03394 0.07043 185 2PY -0.21579 0.00937 0.00328 -0.14216 0.02239 186 2PZ 0.02252 -0.05414 0.13199 0.00713 0.01487 187 3S 0.29842 0.42501 -0.38912 0.65985 0.30146 188 3PX -0.26357 0.01991 -0.36313 0.12578 -0.19220 189 3PY 0.78865 0.06865 -0.17168 0.31045 -0.14737 190 3PZ -0.22378 0.31323 -0.84533 0.36788 -0.01847 191 4XX 0.00173 -0.01225 -0.00776 -0.01216 -0.01277 192 4YY 0.01226 -0.00595 0.00896 0.04432 0.00742 193 4ZZ -0.02728 -0.00227 -0.02117 -0.03024 -0.01603 194 4XY -0.00582 -0.00702 -0.00460 0.03731 -0.02885 195 4XZ 0.00451 -0.03079 -0.01102 0.01545 -0.02737 196 4YZ -0.00172 -0.00136 0.00900 -0.04577 -0.01517 197 21 H 1S 0.14436 -0.03921 0.00529 0.10805 0.02224 198 2S -0.69963 -0.06594 -0.02961 -0.39528 -0.05439 199 22 C 1S 0.00302 -0.00201 -0.00428 0.00947 -0.00579 200 2S -0.10573 -0.05651 0.22924 -0.18337 -0.01346 201 2PX 0.03377 -0.00952 0.10245 -0.05480 0.07811 202 2PY 0.12619 0.07052 -0.15420 -0.11681 0.04173 203 2PZ -0.02904 0.00346 0.26490 -0.26761 0.02066 204 3S 0.89142 -0.32291 -0.50845 0.15405 -0.01855 205 3PX -0.10998 0.05420 -0.29946 0.09674 -0.04066 206 3PY -0.59312 -0.28656 0.77702 0.00018 -0.05203 207 3PZ -0.16707 0.00324 -1.24198 0.51350 -0.04136 208 4XX -0.01342 0.02695 0.00350 -0.04351 0.00924 209 4YY 0.01603 -0.01562 -0.01729 -0.01225 -0.01049 210 4ZZ 0.00196 -0.01803 0.04578 0.02335 0.00044 211 4XY 0.00379 0.00953 0.00114 0.05003 0.00128 212 4XZ -0.00738 0.02189 0.02171 0.02637 0.01017 213 4YZ 0.00951 0.02720 -0.00598 0.09955 0.00464 214 23 H 1S 0.01174 0.07462 -0.00934 0.38212 -0.03329 215 2S 0.11974 0.05847 0.44838 -0.75291 0.05416 111 112 113 114 115 V V V V V Eigenvalues -- 0.91575 0.92346 0.92862 0.94906 0.95853 1 1 C 1S -0.00935 0.00616 -0.01074 0.00134 0.01240 2 2S 0.34902 -0.04960 0.25708 0.21741 -0.23692 3 2PX -0.04270 0.21595 -0.00420 0.01295 0.12624 4 2PY -0.22545 0.00317 0.09419 0.06149 0.24220 5 2PZ -0.23298 0.06886 0.02541 -0.02457 0.06246 6 3S -1.36902 -0.15899 -0.77453 -0.32515 -0.28241 7 3PX 0.22028 -0.53580 -0.28606 0.00424 -1.68173 8 3PY 1.40659 -0.02346 -0.29119 -0.09415 -2.66532 9 3PZ 1.13340 -0.34437 -0.14336 0.05319 -1.45004 10 4XX 0.02072 -0.00856 -0.00689 0.00121 -0.01848 11 4YY -0.01747 -0.01866 0.03381 0.00486 0.01684 12 4ZZ 0.02840 0.02799 -0.01130 0.02118 -0.03525 13 4XY 0.01250 -0.00588 -0.00497 -0.00601 -0.02800 14 4XZ 0.03683 0.01151 0.03245 -0.00754 -0.04692 15 4YZ 0.00319 0.01371 0.04381 0.06878 -0.01219 16 2 C 1S 0.00935 0.00616 -0.01074 0.00134 -0.01240 17 2S -0.34902 -0.04959 0.25708 0.21739 0.23693 18 2PX 0.04271 0.21594 -0.00420 0.01295 -0.12625 19 2PY -0.22545 -0.00317 -0.09419 -0.06149 0.24219 20 2PZ 0.23298 0.06884 0.02541 -0.02457 -0.06246 21 3S 1.36903 -0.15902 -0.77450 -0.32513 0.28240 22 3PX -0.22029 -0.53571 -0.28605 0.00425 1.68177 23 3PY 1.40659 0.02337 0.29117 0.09417 -2.66529 24 3PZ -1.13340 -0.34427 -0.14337 0.05315 1.45006 25 4XX -0.02072 -0.00856 -0.00689 0.00121 0.01848 26 4YY 0.01747 -0.01866 0.03381 0.00486 -0.01684 27 4ZZ -0.02840 0.02799 -0.01130 0.02118 0.03525 28 4XY 0.01250 0.00588 0.00497 0.00601 -0.02800 29 4XZ -0.03683 0.01151 0.03246 -0.00754 0.04692 30 4YZ 0.00319 -0.01371 -0.04381 -0.06878 -0.01219 31 3 C 1S -0.01517 -0.00144 0.01336 0.00798 -0.00789 32 2S -0.64072 0.02584 0.31887 0.07588 -0.07841 33 2PX 0.06834 -0.06932 0.23039 -0.13017 -0.24874 34 2PY 0.09364 -0.03318 -0.06134 -0.04740 0.14482 35 2PZ -0.09595 0.07258 0.13167 -0.02498 -0.28042 36 3S 2.57162 0.13370 -1.30520 0.42873 0.43682 37 3PX -0.31328 -0.03163 -1.00131 0.37427 3.07667 38 3PY -0.38691 0.44529 -0.11200 0.08944 -0.50080 39 3PZ 0.41329 -0.33178 -0.91899 0.31854 3.03260 40 4XX -0.02612 0.01966 0.02256 0.02510 0.02639 41 4YY -0.05561 0.00845 0.02105 0.01975 -0.04726 42 4ZZ 0.00851 -0.02762 -0.00630 -0.02174 0.00480 43 4XY 0.00143 -0.02819 -0.05093 0.00050 0.02137 44 4XZ -0.02113 0.00729 0.00706 0.02177 0.01452 45 4YZ -0.00206 -0.02032 -0.03862 0.00185 0.00780 46 4 C 1S 0.00402 -0.00556 -0.02396 0.00690 0.00196 47 2S -0.17964 -0.19647 -0.67802 0.29601 -0.28615 48 2PX -0.11126 0.02196 0.21198 -0.01134 -0.20205 49 2PY -0.28432 0.07433 0.02753 -0.03884 -0.20976 50 2PZ -0.01932 -0.02706 0.17473 0.02947 -0.26806 51 3S 1.26566 0.45486 1.95752 -0.88878 1.67173 52 3PX 0.65113 -0.03951 -0.60335 0.07147 1.66420 53 3PY 1.74492 -0.28575 -0.57100 0.29220 3.88484 54 3PZ 0.25729 0.09035 -0.68782 0.06301 2.31874 55 4XX -0.01035 -0.03254 0.00280 0.00364 -0.05345 56 4YY 0.04444 -0.01173 -0.07342 0.02617 0.04413 57 4ZZ -0.04739 0.00877 -0.01141 -0.00282 -0.02406 58 4XY 0.00063 -0.00875 0.03722 -0.02068 0.00258 59 4XZ -0.02578 -0.02858 -0.05706 0.00324 -0.03905 60 4YZ -0.00887 0.00191 0.02885 0.01849 -0.00047 61 5 C 1S -0.00402 -0.00556 -0.02396 0.00690 -0.00196 62 2S 0.17966 -0.19647 -0.67801 0.29600 0.28618 63 2PX 0.11126 0.02196 0.21198 -0.01135 0.20204 64 2PY -0.28432 -0.07433 -0.02754 0.03884 -0.20975 65 2PZ 0.01932 -0.02706 0.17474 0.02946 0.26805 66 3S -1.26569 0.45486 1.95746 -0.88873 -1.67183 67 3PX -0.65114 -0.03952 -0.60341 0.07150 -1.66423 68 3PY 1.74490 0.28580 0.57111 -0.29224 3.88478 69 3PZ -0.25728 0.09032 -0.68787 0.06306 -2.31872 70 4XX 0.01035 -0.03254 0.00280 0.00364 0.05345 71 4YY -0.04444 -0.01173 -0.07342 0.02617 -0.04412 72 4ZZ 0.04739 0.00876 -0.01141 -0.00282 0.02406 73 4XY 0.00063 0.00875 -0.03722 0.02068 0.00258 74 4XZ 0.02578 -0.02858 -0.05706 0.00324 0.03905 75 4YZ -0.00887 -0.00191 -0.02885 -0.01849 -0.00047 76 6 C 1S 0.01517 -0.00144 0.01336 0.00798 0.00789 77 2S 0.64071 0.02582 0.31889 0.07588 0.07840 78 2PX -0.06834 -0.06931 0.23039 -0.13017 0.24873 79 2PY 0.09364 0.03318 0.06135 0.04739 0.14482 80 2PZ 0.09595 0.07258 0.13168 -0.02498 0.28042 81 3S -2.57160 0.13377 -1.30527 0.42873 -0.43674 82 3PX 0.31329 -0.03171 -1.00136 0.37431 -3.07662 83 3PY -0.38691 -0.44531 0.11197 -0.08941 -0.50084 84 3PZ -0.41329 -0.33185 -0.91906 0.31855 -3.03257 85 4XX 0.02612 0.01966 0.02255 0.02511 -0.02639 86 4YY 0.05561 0.00844 0.02106 0.01974 0.04726 87 4ZZ -0.00851 -0.02761 -0.00630 -0.02174 -0.00480 88 4XY 0.00143 0.02819 0.05093 -0.00050 0.02136 89 4XZ 0.02113 0.00729 0.00706 0.02177 -0.01452 90 4YZ -0.00206 0.02033 0.03862 -0.00185 0.00779 91 7 H 1S -0.03166 0.00136 -0.28634 -0.13709 -0.09372 92 2S 0.43383 -0.26814 0.30489 0.37776 -0.22253 93 8 H 1S 0.03167 0.00136 -0.28634 -0.13709 0.09372 94 2S -0.43383 -0.26809 0.30488 0.37773 0.22254 95 9 H 1S -0.01105 0.00333 -0.11639 0.00230 -0.07984 96 2S 0.08954 -0.18034 0.16760 0.21410 -0.46222 97 10 H 1S 0.01105 0.00333 -0.11639 0.00229 0.07985 98 2S -0.08953 -0.18034 0.16761 0.21408 0.46223 99 11 O 1S 0.00567 -0.00583 -0.00037 0.00152 0.00382 100 2S 0.21147 -0.04086 -0.07166 0.07882 0.06438 101 2PX 0.03110 0.03532 0.13166 -0.29843 0.13188 102 2PY -0.01988 0.04624 0.02753 0.02104 -0.13670 103 2PZ -0.07419 -0.00324 0.08869 0.14205 -0.06920 104 3S -0.92894 0.29275 0.31069 -0.18865 -0.44648 105 3PX 0.05472 -0.08766 -0.03682 0.28561 -0.52893 106 3PY -0.01731 -0.02378 -0.02741 -0.11111 0.18180 107 3PZ 0.00715 0.04038 -0.00461 -0.22917 -0.30016 108 4XX 0.07894 -0.01158 -0.04529 0.02054 0.05089 109 4YY 0.03535 -0.01614 0.00596 0.01932 0.01373 110 4ZZ 0.09048 -0.03006 -0.02620 0.00371 0.03184 111 4XY 0.01315 0.01046 0.02527 -0.01016 -0.00773 112 4XZ -0.04544 0.00373 0.02979 -0.00857 -0.01508 113 4YZ -0.02236 0.01603 0.03591 0.00504 -0.02675 114 12 O 1S -0.00567 -0.00583 -0.00037 0.00152 -0.00382 115 2S -0.21147 -0.04085 -0.07166 0.07882 -0.06437 116 2PX -0.03109 0.03533 0.13165 -0.29842 -0.13189 117 2PY -0.01988 -0.04623 -0.02753 -0.02103 -0.13670 118 2PZ 0.07419 -0.00324 0.08869 0.14205 0.06920 119 3S 0.92893 0.29274 0.31072 -0.18867 0.44646 120 3PX -0.05473 -0.08767 -0.03680 0.28559 0.52894 121 3PY -0.01732 0.02377 0.02742 0.11109 0.18181 122 3PZ -0.00715 0.04039 -0.00461 -0.22917 0.30016 123 4XX -0.07894 -0.01158 -0.04529 0.02054 -0.05088 124 4YY -0.03534 -0.01613 0.00595 0.01932 -0.01373 125 4ZZ -0.09048 -0.03005 -0.02620 0.00371 -0.03184 126 4XY 0.01315 -0.01046 -0.02527 0.01016 -0.00773 127 4XZ 0.04544 0.00373 0.02979 -0.00857 0.01508 128 4YZ -0.02235 -0.01603 -0.03591 -0.00504 -0.02675 129 13 C 1S 0.00000 -0.01426 0.02251 0.01637 0.00000 130 2S 0.00001 -0.03604 -0.31520 -0.51921 0.00000 131 2PX 0.00000 0.07507 0.26444 0.23132 0.00000 132 2PY -0.16811 0.00000 0.00000 0.00000 0.08037 133 2PZ -0.00001 -0.02494 0.15406 0.29438 0.00001 134 3S -0.00002 0.57276 1.02958 1.34157 0.00001 135 3PX -0.00001 -0.48970 -0.48338 -0.43394 0.00001 136 3PY 1.16394 -0.00002 0.00000 0.00001 -0.38690 137 3PZ 0.00001 0.24365 -0.50702 -0.07674 0.00000 138 4XX 0.00000 -0.09357 0.02352 -0.10302 0.00000 139 4YY 0.00000 0.04707 -0.06029 -0.06249 0.00000 140 4ZZ 0.00000 0.04596 0.02105 0.11030 0.00000 141 4XY 0.00824 0.00000 0.00000 0.00000 0.03047 142 4XZ 0.00000 -0.03488 0.03222 -0.02694 0.00000 143 4YZ 0.03590 0.00000 0.00000 0.00000 -0.02714 144 14 H 1S -0.00001 0.14323 0.19133 0.65075 0.00001 145 2S 0.00002 -0.18820 -0.75238 -1.07050 -0.00001 146 15 H 1S -0.00001 -0.33621 0.25591 0.12101 0.00000 147 2S 0.00000 -0.00019 -0.62392 -0.41212 0.00001 148 16 C 1S -0.02351 0.00396 -0.00164 -0.00197 0.00371 149 2S -0.35553 0.42290 0.23258 0.06410 0.31007 150 2PX 0.12053 -0.18317 0.12096 -0.06830 0.04067 151 2PY -0.01370 -0.49449 0.12633 0.03325 -0.02450 152 2PZ 0.20028 -0.12503 -0.06132 0.06579 -0.00194 153 3S 1.25787 -1.16336 -0.31825 -0.46717 -0.86764 154 3PX -0.36472 0.51581 -0.12338 0.16029 0.06238 155 3PY 0.11071 0.60374 -0.18170 -0.11116 0.19969 156 3PZ -0.68263 0.34334 0.04979 -0.43538 -0.13883 157 4XX 0.01364 0.08349 -0.02588 0.02497 -0.00148 158 4YY -0.06799 -0.07367 0.05105 -0.00880 0.04299 159 4ZZ -0.00968 0.06229 0.00264 -0.01258 -0.01221 160 4XY 0.00013 -0.06962 -0.00341 -0.04234 0.01031 161 4XZ -0.00479 -0.00844 -0.01375 -0.01238 0.02262 162 4YZ -0.03158 -0.01287 0.00765 0.03414 0.02848 163 17 H 1S -0.07736 -0.48627 0.08390 -0.11650 0.07512 164 2S -0.10850 1.23516 -0.16260 0.07497 0.13135 165 18 C 1S -0.00320 -0.00179 -0.00262 -0.00248 0.00689 166 2S -0.51772 0.20200 0.06910 -0.42083 0.23284 167 2PX 0.12465 0.02823 0.17406 -0.16034 0.08799 168 2PY -0.21145 -0.16745 0.01580 0.15312 0.05475 169 2PZ -0.07552 0.06493 0.03909 -0.14549 0.07459 170 3S 2.08535 -0.69155 -0.00030 1.26260 -0.89792 171 3PX -0.15218 -0.12994 -0.24226 0.16046 -0.25653 172 3PY 0.96556 0.37239 0.04990 -0.47378 -0.76596 173 3PZ 0.28995 -0.16858 -0.24091 0.14252 -0.29107 174 4XX -0.03227 0.03230 -0.01367 -0.00683 -0.01089 175 4YY 0.01091 0.01065 0.00897 -0.02680 -0.00679 176 4ZZ -0.03965 -0.02606 0.00616 -0.01287 0.04368 177 4XY 0.00969 -0.01927 0.01449 -0.02566 -0.00051 178 4XZ -0.01445 0.00732 0.01498 0.01131 0.00041 179 4YZ 0.02284 0.01596 -0.00532 0.00133 -0.00826 180 19 H 1S -0.05548 0.05036 0.01601 0.04836 -0.00544 181 2S -0.09940 0.37623 0.16859 -0.59645 0.04466 182 20 C 1S 0.02351 0.00396 -0.00164 -0.00197 -0.00371 183 2S 0.35553 0.42288 0.23258 0.06412 -0.31008 184 2PX -0.12053 -0.18316 0.12096 -0.06829 -0.04067 185 2PY -0.01369 0.49449 -0.12634 -0.03324 -0.02450 186 2PZ -0.20029 -0.12503 -0.06132 0.06578 0.00195 187 3S -1.25788 -1.16332 -0.31826 -0.46721 0.86763 188 3PX 0.36473 0.51578 -0.12339 0.16028 -0.06237 189 3PY 0.11069 -0.60374 0.18173 0.11113 0.19971 190 3PZ 0.68265 0.34333 0.04978 -0.43535 0.13880 191 4XX -0.01364 0.08348 -0.02588 0.02497 0.00148 192 4YY 0.06798 -0.07367 0.05105 -0.00880 -0.04299 193 4ZZ 0.00968 0.06229 0.00264 -0.01258 0.01221 194 4XY 0.00013 0.06961 0.00341 0.04233 0.01031 195 4XZ 0.00479 -0.00844 -0.01375 -0.01238 -0.02262 196 4YZ -0.03158 0.01287 -0.00764 -0.03414 0.02848 197 21 H 1S 0.07735 -0.48626 0.08390 -0.11650 -0.07512 198 2S 0.10854 1.23514 -0.16263 0.07499 -0.13135 199 22 C 1S 0.00319 -0.00179 -0.00262 -0.00248 -0.00689 200 2S 0.51774 0.20201 0.06910 -0.42079 -0.23285 201 2PX -0.12465 0.02824 0.17406 -0.16034 -0.08800 202 2PY -0.21145 0.16745 -0.01580 -0.15312 0.05475 203 2PZ 0.07553 0.06493 0.03910 -0.14548 -0.07459 204 3S -2.08540 -0.69156 -0.00027 1.26245 0.89796 205 3PX 0.15219 -0.12994 -0.24225 0.16047 0.25654 206 3PY 0.96554 -0.37239 -0.04990 0.47384 -0.76595 207 3PZ -0.28996 -0.16858 -0.24093 0.14250 0.29107 208 4XX 0.03227 0.03230 -0.01367 -0.00682 0.01089 209 4YY -0.01091 0.01065 0.00897 -0.02680 0.00679 210 4ZZ 0.03965 -0.02606 0.00616 -0.01286 -0.04368 211 4XY 0.00969 0.01927 -0.01449 0.02566 -0.00051 212 4XZ 0.01445 0.00732 0.01498 0.01131 -0.00041 213 4YZ 0.02284 -0.01596 0.00532 -0.00133 -0.00826 214 23 H 1S 0.05547 0.05036 0.01601 0.04836 0.00545 215 2S 0.09943 0.37624 0.16859 -0.59643 -0.04467 116 117 118 119 120 V V V V V Eigenvalues -- 0.96806 0.99204 1.01522 1.04639 1.05789 1 1 C 1S 0.01348 -0.00659 0.00596 -0.00073 -0.00889 2 2S -0.12421 0.11870 0.43097 -0.15364 -0.08098 3 2PX -0.18998 -0.01416 0.02535 -0.05660 0.13309 4 2PY -0.08081 0.12064 0.20342 -0.02101 -0.10806 5 2PZ -0.08280 -0.27069 0.02587 -0.13711 0.02948 6 3S -0.39168 -0.14923 -1.38636 -0.29335 0.81427 7 3PX 1.56073 0.09584 -0.21086 0.46582 0.07965 8 3PY 2.08286 -0.13289 -0.82692 1.09641 -0.41098 9 3PZ 0.87439 0.63914 -0.05275 0.77627 0.21701 10 4XX -0.03623 0.03210 -0.02290 0.00375 -0.02932 11 4YY -0.03389 0.00597 0.02855 -0.02388 0.00050 12 4ZZ 0.05927 -0.01719 0.03294 -0.00591 0.02374 13 4XY -0.01282 -0.02177 0.02584 -0.02670 0.00603 14 4XZ 0.00763 -0.01942 0.02173 -0.03767 -0.00543 15 4YZ -0.02891 0.07807 -0.06898 0.00920 -0.00043 16 2 C 1S -0.01348 -0.00659 0.00596 0.00073 0.00889 17 2S 0.12422 0.11871 0.43098 0.15364 0.08097 18 2PX 0.18999 -0.01415 0.02535 0.05660 -0.13309 19 2PY -0.08081 -0.12065 -0.20342 -0.02100 -0.10806 20 2PZ 0.08280 -0.27069 0.02587 0.13711 -0.02948 21 3S 0.39167 -0.14924 -1.38639 0.29337 -0.81425 22 3PX -1.56077 0.09580 -0.21089 -0.46583 -0.07965 23 3PY 2.08283 0.13293 0.82694 1.09638 -0.41099 24 3PZ -0.87441 0.63911 -0.05274 -0.77627 -0.21702 25 4XX 0.03623 0.03210 -0.02290 -0.00375 0.02932 26 4YY 0.03389 0.00597 0.02855 0.02388 -0.00050 27 4ZZ -0.05927 -0.01720 0.03294 0.00591 -0.02374 28 4XY -0.01282 0.02177 -0.02584 -0.02670 0.00603 29 4XZ -0.00762 -0.01942 0.02173 0.03767 0.00543 30 4YZ -0.02891 -0.07807 0.06898 0.00919 -0.00043 31 3 C 1S -0.00918 -0.00739 -0.03202 0.00113 0.00662 32 2S 0.00657 -0.15604 -0.69832 0.11562 0.03735 33 2PX 0.08543 -0.13671 0.08741 0.17660 -0.11042 34 2PY 0.21383 -0.05312 0.02768 0.14664 -0.12707 35 2PZ 0.16619 -0.06159 -0.00889 -0.05151 0.03285 36 3S 0.72708 0.47814 2.33067 -0.31103 -0.15493 37 3PX -1.23923 0.84879 -0.19726 -1.22899 0.19677 38 3PY -0.44114 0.01578 -0.51110 -0.56051 0.78706 39 3PZ -1.57349 0.32621 -0.01136 -0.37709 -0.12202 40 4XX 0.02174 0.04354 -0.01749 0.00470 -0.02010 41 4YY -0.05229 -0.03096 -0.09721 -0.01887 0.03388 42 4ZZ 0.03862 -0.03200 0.03204 0.02386 -0.01334 43 4XY 0.00122 0.02034 -0.01311 -0.04030 -0.07329 44 4XZ 0.05243 -0.00262 -0.01655 0.03581 -0.02290 45 4YZ -0.03194 0.01024 -0.03210 -0.05969 -0.03610 46 4 C 1S -0.00912 0.01297 0.00912 -0.01936 -0.01196 47 2S 0.11834 0.17145 0.25827 -0.27532 -0.51951 48 2PX -0.05781 0.05179 0.04810 -0.05177 0.02628 49 2PY 0.19213 -0.06102 -0.14282 0.11357 -0.07229 50 2PZ -0.02130 -0.02707 0.04769 0.00008 0.12575 51 3S 0.29823 -0.95227 -1.09031 1.39327 0.52172 52 3PX -0.23729 0.04267 -0.07637 -0.09969 -0.00486 53 3PY -1.06700 0.42989 0.72106 -0.48196 -0.37559 54 3PZ -0.33293 0.29247 -0.10389 -0.68489 -0.14931 55 4XX 0.00317 -0.03937 0.02793 0.01539 -0.02019 56 4YY -0.01312 0.02052 0.01416 -0.01739 -0.02440 57 4ZZ 0.03170 0.05562 -0.00312 -0.03896 -0.04930 58 4XY 0.02548 -0.05181 -0.00779 0.01180 0.00213 59 4XZ 0.01919 0.01519 0.00237 -0.00752 -0.06721 60 4YZ 0.02437 -0.01086 -0.04198 0.02087 -0.01347 61 5 C 1S 0.00912 0.01297 0.00912 0.01936 0.01196 62 2S -0.11833 0.17145 0.25827 0.27531 0.51951 63 2PX 0.05780 0.05179 0.04810 0.05177 -0.02628 64 2PY 0.19213 0.06102 0.14283 0.11356 -0.07229 65 2PZ 0.02130 -0.02708 0.04769 -0.00008 -0.12576 66 3S -0.29828 -0.95224 -1.09033 -1.39324 -0.52175 67 3PX 0.23731 0.04268 -0.07632 0.09970 0.00487 68 3PY -1.06701 -0.42992 -0.72112 -0.48192 -0.37560 69 3PZ 0.33294 0.29248 -0.10384 0.68489 0.14932 70 4XX -0.00317 -0.03937 0.02793 -0.01539 0.02019 71 4YY 0.01312 0.02052 0.01416 0.01739 0.02441 72 4ZZ -0.03170 0.05562 -0.00312 0.03896 0.04930 73 4XY 0.02548 0.05181 0.00779 0.01180 0.00213 74 4XZ -0.01919 0.01519 0.00237 0.00751 0.06721 75 4YZ 0.02437 0.01086 0.04198 0.02087 -0.01346 76 6 C 1S 0.00918 -0.00739 -0.03202 -0.00113 -0.00662 77 2S -0.00658 -0.15604 -0.69832 -0.11560 -0.03736 78 2PX -0.08544 -0.13671 0.08740 -0.17661 0.11042 79 2PY 0.21383 0.05312 -0.02768 0.14664 -0.12707 80 2PZ -0.16619 -0.06159 -0.00889 0.05151 -0.03285 81 3S -0.72703 0.47810 2.33072 0.31096 0.15494 82 3PX 1.23926 0.84882 -0.19722 1.22900 -0.19676 83 3PY -0.44114 -0.01575 0.51108 -0.56052 0.78705 84 3PZ 1.57351 0.32623 -0.01132 0.37708 0.12204 85 4XX -0.02174 0.04354 -0.01749 -0.00470 0.02010 86 4YY 0.05229 -0.03096 -0.09721 0.01887 -0.03388 87 4ZZ -0.03863 -0.03200 0.03204 -0.02386 0.01334 88 4XY 0.00122 -0.02034 0.01311 -0.04030 -0.07329 89 4XZ -0.05243 -0.00262 -0.01655 -0.03581 0.02290 90 4YZ -0.03194 -0.01024 0.03209 -0.05969 -0.03610 91 7 H 1S 0.26837 -0.22730 0.09887 -0.03011 0.15345 92 2S -0.14527 0.84257 0.28497 0.25910 -0.04612 93 8 H 1S -0.26837 -0.22731 0.09888 0.03010 -0.15345 94 2S 0.14527 0.84257 0.28496 -0.25910 0.04611 95 9 H 1S -0.02868 0.03967 0.10932 -0.04240 -0.16305 96 2S -0.10792 0.04737 0.42072 -0.07344 -0.05204 97 10 H 1S 0.02868 0.03967 0.10932 0.04239 0.16305 98 2S 0.10793 0.04737 0.42072 0.07343 0.05204 99 11 O 1S 0.00157 0.00213 0.01598 -0.00032 -0.00671 100 2S 0.03703 0.03774 0.16627 -0.07341 0.03729 101 2PX 0.25188 0.16982 0.13433 0.00715 0.42963 102 2PY -0.17551 -0.03329 -0.23341 -0.13537 0.26879 103 2PZ -0.14167 -0.37066 0.09194 0.50553 0.01736 104 3S -0.31983 -0.18386 -1.02957 0.01167 0.34262 105 3PX -0.15877 -0.35149 -0.11786 0.15136 -0.65143 106 3PY 0.29108 0.01220 0.18655 0.25322 -0.35107 107 3PZ 0.35451 0.39996 -0.14904 -0.65960 -0.02319 108 4XX 0.03173 0.02751 0.08393 -0.01638 -0.03454 109 4YY 0.00293 0.02189 0.03720 -0.03215 0.02732 110 4ZZ 0.04197 0.00318 0.10973 0.00654 -0.01657 111 4XY 0.02366 0.00359 0.03147 0.02553 0.03560 112 4XZ -0.00699 -0.01332 -0.06437 0.00294 0.02405 113 4YZ 0.01215 -0.01369 -0.00398 0.04527 0.02770 114 12 O 1S -0.00157 0.00213 0.01598 0.00032 0.00671 115 2S -0.03703 0.03773 0.16627 0.07341 -0.03729 116 2PX -0.25189 0.16982 0.13433 -0.00715 -0.42963 117 2PY -0.17551 0.03329 0.23340 -0.13538 0.26879 118 2PZ 0.14168 -0.37066 0.09192 -0.50554 -0.01736 119 3S 0.31983 -0.18386 -1.02958 -0.01163 -0.34262 120 3PX 0.15878 -0.35150 -0.11787 -0.15136 0.65143 121 3PY 0.29108 -0.01221 -0.18654 0.25322 -0.35107 122 3PZ -0.35452 0.39995 -0.14902 0.65961 0.02318 123 4XX -0.03173 0.02751 0.08393 0.01638 0.03454 124 4YY -0.00293 0.02189 0.03720 0.03215 -0.02732 125 4ZZ -0.04197 0.00318 0.10974 -0.00654 0.01657 126 4XY 0.02366 -0.00359 -0.03147 0.02553 0.03560 127 4XZ 0.00698 -0.01332 -0.06437 -0.00294 -0.02405 128 4YZ 0.01215 0.01369 0.00398 0.04527 0.02770 129 13 C 1S 0.00000 -0.01390 0.01877 0.00000 0.00000 130 2S -0.00001 -0.41275 0.02852 -0.00001 0.00000 131 2PX 0.00001 0.20090 -0.00948 0.00000 0.00000 132 2PY -0.15861 0.00000 0.00000 0.06791 0.01852 133 2PZ 0.00000 0.21944 0.05649 0.00000 0.00000 134 3S 0.00002 1.64267 -0.53562 0.00003 -0.00001 135 3PX -0.00002 -0.15919 -0.07043 -0.00001 -0.00001 136 3PY 0.42649 0.00000 0.00000 -0.03899 -0.04914 137 3PZ 0.00001 -0.41491 -0.00998 0.00001 0.00000 138 4XX 0.00000 -0.03271 -0.03514 0.00000 0.00000 139 4YY 0.00000 -0.03074 0.01363 0.00000 0.00000 140 4ZZ 0.00000 0.00242 0.03356 0.00000 0.00000 141 4XY -0.04288 0.00000 0.00000 -0.04488 -0.02843 142 4XZ 0.00000 -0.02950 -0.03374 0.00000 0.00000 143 4YZ 0.04449 0.00000 0.00000 0.03138 0.00891 144 14 H 1S 0.00001 0.20256 0.26302 0.00000 0.00000 145 2S -0.00001 -0.78174 -0.24254 0.00000 0.00000 146 15 H 1S 0.00000 0.04928 0.06245 0.00000 0.00000 147 2S -0.00001 -0.41681 0.02422 -0.00001 0.00000 148 16 C 1S 0.00334 -0.00521 -0.00379 0.00092 -0.00309 149 2S -0.16123 -0.39190 0.43668 0.26812 0.02671 150 2PX 0.11096 0.03811 0.16625 0.07341 0.05847 151 2PY -0.05394 0.07487 -0.09071 -0.02180 0.09706 152 2PZ -0.14081 -0.10780 0.02697 0.07820 0.01353 153 3S 1.12439 1.27785 -0.82466 -0.45325 0.35183 154 3PX -0.33267 0.09230 -0.27971 -0.07439 -0.03811 155 3PY -0.05865 -0.55854 0.38073 0.30073 -0.24024 156 3PZ 0.67345 0.74595 -0.48198 -0.16469 0.10635 157 4XX -0.04619 -0.00606 0.01705 -0.02732 -0.03768 158 4YY -0.01921 -0.03884 -0.00168 0.03610 0.01857 159 4ZZ 0.06279 -0.00085 0.00605 0.01739 0.01902 160 4XY 0.01245 0.01214 0.00675 0.02548 0.01447 161 4XZ -0.01446 -0.00804 0.06502 0.02034 -0.00186 162 4YZ -0.01767 0.01009 0.01252 -0.02406 -0.02021 163 17 H 1S -0.14036 -0.11579 0.00672 0.10118 0.01729 164 2S -0.08203 -0.41483 0.33669 0.17843 -0.24478 165 18 C 1S 0.00241 0.01352 -0.00122 -0.00031 -0.00088 166 2S 0.56760 0.37686 0.05275 -0.12977 -0.05327 167 2PX -0.09145 -0.00701 0.05984 0.04858 -0.02645 168 2PY 0.03887 -0.10386 0.02593 -0.03967 0.00335 169 2PZ -0.07550 -0.08348 -0.00412 0.04185 -0.01019 170 3S -1.83211 -1.43594 0.48786 0.31823 0.02814 171 3PX 0.49066 0.03647 -0.09476 0.00175 0.26856 172 3PY 0.04802 0.64640 -0.28477 -0.23312 -0.06417 173 3PZ 0.43908 0.29405 -0.12854 0.20174 0.47824 174 4XX 0.03024 -0.00906 -0.02973 -0.01446 -0.00145 175 4YY 0.01111 0.03747 -0.00725 -0.00419 -0.00078 176 4ZZ 0.01705 0.02835 0.03524 -0.00070 -0.01064 177 4XY -0.00069 -0.00288 -0.01426 0.00932 0.01141 178 4XZ 0.03173 0.00847 -0.02532 -0.01380 0.00024 179 4YZ -0.00293 -0.05626 0.05585 0.02418 0.01594 180 19 H 1S 0.08207 0.16240 -0.07608 -0.18976 -0.15578 181 2S 0.08252 0.17632 0.01510 -0.10483 -0.18406 182 20 C 1S -0.00334 -0.00521 -0.00379 -0.00092 0.00309 183 2S 0.16125 -0.39190 0.43666 -0.26813 -0.02670 184 2PX -0.11096 0.03811 0.16625 -0.07342 -0.05847 185 2PY -0.05392 -0.07487 0.09071 -0.02180 0.09706 186 2PZ 0.14081 -0.10779 0.02697 -0.07820 -0.01353 187 3S -1.12445 1.27784 -0.82459 0.45326 -0.35184 188 3PX 0.33268 0.09230 -0.27970 0.07441 0.03811 189 3PY -0.05868 0.55856 -0.38072 0.30075 -0.24026 190 3PZ -0.67345 0.74593 -0.48195 0.16470 -0.10634 191 4XX 0.04619 -0.00606 0.01706 0.02732 0.03769 192 4YY 0.01921 -0.03884 -0.00169 -0.03610 -0.01857 193 4ZZ -0.06279 -0.00085 0.00604 -0.01739 -0.01902 194 4XY 0.01245 -0.01214 -0.00675 0.02548 0.01447 195 4XZ 0.01446 -0.00804 0.06502 -0.02035 0.00186 196 4YZ -0.01767 -0.01009 -0.01252 -0.02406 -0.02021 197 21 H 1S 0.14034 -0.11579 0.00671 -0.10119 -0.01730 198 2S 0.08209 -0.41484 0.33669 -0.17844 0.24480 199 22 C 1S -0.00241 0.01352 -0.00122 0.00031 0.00088 200 2S -0.56761 0.37685 0.05276 0.12977 0.05327 201 2PX 0.09145 -0.00701 0.05983 -0.04858 0.02645 202 2PY 0.03887 0.10386 -0.02593 -0.03967 0.00335 203 2PZ 0.07550 -0.08348 -0.00413 -0.04185 0.01019 204 3S 1.83214 -1.43592 0.48785 -0.31823 -0.02815 205 3PX -0.49065 0.03647 -0.09476 -0.00174 -0.26856 206 3PY 0.04804 -0.64640 0.28473 -0.23313 -0.06417 207 3PZ -0.43907 0.29405 -0.12851 -0.20174 -0.47824 208 4XX -0.03023 -0.00906 -0.02973 0.01446 0.00145 209 4YY -0.01111 0.03747 -0.00725 0.00419 0.00078 210 4ZZ -0.01705 0.02835 0.03524 0.00069 0.01064 211 4XY -0.00069 0.00288 0.01426 0.00932 0.01141 212 4XZ -0.03173 0.00846 -0.02532 0.01380 -0.00024 213 4YZ -0.00293 0.05626 -0.05585 0.02418 0.01594 214 23 H 1S -0.08207 0.16240 -0.07608 0.18977 0.15578 215 2S -0.08253 0.17632 0.01510 0.10483 0.18406 121 122 123 124 125 V V V V V Eigenvalues -- 1.06981 1.09267 1.12489 1.14714 1.18147 1 1 C 1S 0.00937 0.00024 0.00143 -0.02205 0.00748 2 2S 0.32686 -0.02803 -0.14027 -0.15133 -0.37000 3 2PX 0.03336 0.13408 -0.06625 0.05769 0.05639 4 2PY -0.05701 0.06047 0.01784 -0.15366 0.07272 5 2PZ 0.16324 -0.10167 -0.12730 0.15984 -0.03734 6 3S 0.07276 0.29930 0.96191 2.53388 0.30553 7 3PX -0.01842 -0.36603 0.35635 0.29607 -0.49038 8 3PY 0.31070 -1.08833 0.35523 1.50556 -0.33894 9 3PZ -0.16316 0.81507 0.31791 -0.17498 -0.72297 10 4XX 0.02730 -0.06911 0.04141 -0.02008 0.01845 11 4YY 0.04145 0.01543 -0.04860 0.03785 -0.01884 12 4ZZ -0.03888 0.05729 0.01504 -0.03289 -0.02448 13 4XY 0.04995 -0.01401 -0.01768 -0.07539 0.00006 14 4XZ 0.01053 0.00217 0.00446 0.00302 -0.05315 15 4YZ 0.01296 -0.03686 0.04169 0.15595 0.01751 16 2 C 1S 0.00937 -0.00024 0.00143 -0.02205 -0.00748 17 2S 0.32686 0.02803 -0.14028 -0.15134 0.36997 18 2PX 0.03336 -0.13408 -0.06625 0.05769 -0.05639 19 2PY 0.05701 0.06046 -0.01784 0.15366 0.07272 20 2PZ 0.16324 0.10167 -0.12730 0.15985 0.03734 21 3S 0.07277 -0.29934 0.96191 2.53383 -0.30536 22 3PX -0.01839 0.36605 0.35633 0.29606 0.49041 23 3PY -0.31073 -1.08829 -0.35521 -1.50559 -0.33899 24 3PZ -0.16316 -0.81506 0.31791 -0.17506 0.72298 25 4XX 0.02730 0.06911 0.04140 -0.02007 -0.01845 26 4YY 0.04145 -0.01543 -0.04860 0.03785 0.01884 27 4ZZ -0.03888 -0.05730 0.01505 -0.03289 0.02449 28 4XY -0.04995 -0.01401 0.01768 0.07539 0.00006 29 4XZ 0.01053 -0.00217 0.00446 0.00302 0.05315 30 4YZ -0.01296 -0.03685 -0.04169 -0.15595 0.01750 31 3 C 1S 0.01111 0.01113 -0.00094 -0.00850 0.00196 32 2S 0.16422 0.44219 -0.02874 -0.15603 0.03801 33 2PX -0.18567 -0.06752 -0.20164 -0.09113 -0.08009 34 2PY 0.04153 0.14460 -0.04751 0.02427 -0.07322 35 2PZ 0.09378 -0.05927 -0.21319 -0.27765 0.02343 36 3S 0.13161 0.03728 0.20038 0.07045 -1.16314 37 3PX 0.80982 0.38409 1.30081 1.79488 0.37524 38 3PY -0.06348 0.37515 0.41945 0.01560 -0.73622 39 3PZ 0.13058 0.99550 1.35493 2.41077 -0.10236 40 4XX 0.01059 -0.03374 0.00888 0.08216 0.02293 41 4YY 0.00827 0.05703 0.01493 -0.01686 -0.01225 42 4ZZ 0.00011 0.03640 -0.02392 -0.07748 -0.03297 43 4XY -0.02486 0.02672 -0.05537 0.01471 0.00384 44 4XZ 0.03545 0.07522 -0.01473 -0.01090 -0.00004 45 4YZ -0.01869 -0.01059 -0.06796 -0.02137 0.01604 46 4 C 1S 0.00312 -0.00546 0.00779 0.01722 0.00706 47 2S 0.14801 -0.25086 0.23572 0.07554 0.26096 48 2PX -0.06367 -0.09169 -0.04884 0.11757 0.01860 49 2PY -0.00604 -0.08247 0.11793 -0.14573 0.04044 50 2PZ 0.06753 -0.04462 -0.05855 0.12414 0.10011 51 3S -0.67243 0.94401 -1.24526 -2.43975 -0.04118 52 3PX -0.03551 1.22496 0.42399 0.04968 -1.06193 53 3PY 0.33431 0.94699 0.05178 1.53033 0.41558 54 3PZ -0.02630 1.09532 0.54604 0.07335 -1.18497 55 4XX -0.05750 -0.01187 -0.03307 -0.00553 0.00263 56 4YY 0.00753 0.01175 0.05353 -0.01863 0.01307 57 4ZZ 0.03244 -0.03376 -0.01138 0.03911 0.02634 58 4XY -0.00552 0.03193 -0.00990 -0.10621 -0.03985 59 4XZ -0.01046 -0.01922 -0.03400 0.03369 0.06490 60 4YZ 0.01127 0.03674 -0.03513 -0.03674 -0.02103 61 5 C 1S 0.00312 0.00546 0.00779 0.01722 -0.00706 62 2S 0.14800 0.25086 0.23571 0.07555 -0.26097 63 2PX -0.06367 0.09168 -0.04884 0.11757 -0.01860 64 2PY 0.00604 -0.08247 -0.11793 0.14573 0.04044 65 2PZ 0.06753 0.04462 -0.05855 0.12414 -0.10010 66 3S -0.67244 -0.94399 -1.24521 -2.43972 0.04112 67 3PX -0.03553 -1.22496 0.42401 0.04963 1.06191 68 3PY -0.33428 0.94700 -0.05178 -1.53032 0.41553 69 3PZ -0.02633 -1.09531 0.54606 0.07329 1.18496 70 4XX -0.05749 0.01187 -0.03307 -0.00554 -0.00264 71 4YY 0.00753 -0.01175 0.05353 -0.01862 -0.01307 72 4ZZ 0.03244 0.03376 -0.01138 0.03912 -0.02633 73 4XY 0.00552 0.03192 0.00990 0.10621 -0.03984 74 4XZ -0.01046 0.01922 -0.03400 0.03369 -0.06490 75 4YZ -0.01127 0.03674 0.03513 0.03674 -0.02104 76 6 C 1S 0.01111 -0.01113 -0.00094 -0.00850 -0.00196 77 2S 0.16421 -0.44220 -0.02873 -0.15603 -0.03800 78 2PX -0.18566 0.06752 -0.20164 -0.09114 0.08009 79 2PY -0.04153 0.14460 0.04750 -0.02427 -0.07322 80 2PZ 0.09378 0.05927 -0.21319 -0.27765 -0.02344 81 3S 0.13161 -0.03725 0.20035 0.07035 1.16306 82 3PX 0.80978 -0.38412 1.30081 1.79490 -0.37514 83 3PY 0.06348 0.37515 -0.41944 -0.01551 -0.73619 84 3PZ 0.13055 -0.99552 1.35493 2.41073 0.10246 85 4XX 0.01059 0.03374 0.00888 0.08216 -0.02292 86 4YY 0.00827 -0.05703 0.01493 -0.01686 0.01225 87 4ZZ 0.00011 -0.03640 -0.02392 -0.07749 0.03296 88 4XY 0.02486 0.02673 0.05537 -0.01470 0.00384 89 4XZ 0.03545 -0.07522 -0.01473 -0.01090 0.00004 90 4YZ 0.01869 -0.01059 0.06796 0.02137 0.01604 91 7 H 1S -0.01253 0.31812 0.01660 -0.29353 -0.13750 92 2S -0.08778 0.23180 0.07996 -0.43787 -0.25254 93 8 H 1S -0.01253 -0.31812 0.01660 -0.29355 0.13749 94 2S -0.08778 -0.23179 0.07996 -0.43789 0.25252 95 9 H 1S 0.11592 -0.31809 -0.12778 0.29789 0.40529 96 2S 0.17514 -0.43847 -0.09936 0.39307 0.58701 97 10 H 1S 0.11592 0.31808 -0.12779 0.29791 -0.40528 98 2S 0.17515 0.43846 -0.09938 0.39309 -0.58699 99 11 O 1S 0.00297 -0.01059 -0.00206 -0.00399 0.00850 100 2S 0.12416 -0.03111 0.03737 -0.12030 -0.00878 101 2PX 0.31882 -0.26792 0.31485 -0.08483 0.03511 102 2PY 0.15386 0.08251 0.07628 -0.07104 -0.11232 103 2PZ -0.17768 -0.01556 0.39485 0.08981 -0.12282 104 3S -0.32095 0.37512 0.08142 0.22512 -0.26218 105 3PX -0.55551 0.33916 -0.69644 -0.16556 -0.08367 106 3PY -0.26747 -0.03087 -0.12248 0.16627 0.08200 107 3PZ 0.18862 -0.10853 -0.79982 -0.51398 0.18615 108 4XX 0.01955 -0.03270 -0.01183 -0.00390 0.02433 109 4YY 0.03333 -0.02695 0.01816 -0.05012 0.01333 110 4ZZ 0.03056 -0.02817 0.00375 -0.03265 -0.00436 111 4XY 0.02299 -0.04501 0.04976 0.00665 0.00019 112 4XZ 0.00123 0.02728 -0.00220 -0.00918 -0.00728 113 4YZ 0.00476 0.00984 0.06207 0.01531 -0.02013 114 12 O 1S 0.00297 0.01059 -0.00206 -0.00399 -0.00850 115 2S 0.12416 0.03111 0.03737 -0.12030 0.00877 116 2PX 0.31883 0.26793 0.31485 -0.08482 -0.03510 117 2PY -0.15386 0.08251 -0.07628 0.07105 -0.11231 118 2PZ -0.17768 0.01557 0.39485 0.08981 0.12282 119 3S -0.32095 -0.37513 0.08143 0.22509 0.26220 120 3PX -0.55551 -0.33917 -0.69643 -0.16557 0.08365 121 3PY 0.26747 -0.03088 0.12247 -0.16627 0.08199 122 3PZ 0.18862 0.10852 -0.79982 -0.51397 -0.18618 123 4XX 0.01955 0.03270 -0.01183 -0.00390 -0.02433 124 4YY 0.03333 0.02695 0.01816 -0.05012 -0.01333 125 4ZZ 0.03056 0.02818 0.00374 -0.03265 0.00436 126 4XY -0.02299 -0.04501 -0.04976 -0.00665 0.00019 127 4XZ 0.00123 -0.02728 -0.00220 -0.00918 0.00728 128 4YZ -0.00476 0.00984 -0.06207 -0.01531 -0.02013 129 13 C 1S -0.00421 0.00000 -0.01094 0.01445 0.00000 130 2S -0.03091 -0.00001 -0.06591 0.49054 0.00001 131 2PX -0.03070 0.00000 0.02495 -0.06901 0.00000 132 2PY 0.00000 0.01567 0.00000 0.00000 0.00888 133 2PZ -0.09534 0.00000 -0.02382 0.00778 0.00000 134 3S -0.20712 0.00000 0.13172 -1.51608 -0.00004 135 3PX -0.19795 0.00000 -0.04124 0.10494 0.00001 136 3PY -0.00001 0.12221 -0.00001 -0.00002 0.34861 137 3PZ 0.24504 -0.00001 0.20007 -0.72713 -0.00001 138 4XX -0.00399 0.00000 -0.02018 0.13095 0.00000 139 4YY -0.05978 0.00000 0.00155 -0.08546 0.00000 140 4ZZ 0.05213 0.00000 -0.00727 0.02060 0.00000 141 4XY 0.00000 -0.02215 0.00000 0.00000 -0.07245 142 4XZ 0.08284 0.00000 -0.03086 0.08208 0.00000 143 4YZ 0.00000 -0.00083 0.00000 0.00000 0.01858 144 14 H 1S -0.01862 0.00000 0.03934 -0.17199 0.00000 145 2S 0.07725 0.00000 0.13076 0.10545 0.00001 146 15 H 1S -0.09729 0.00000 -0.03780 0.10081 0.00000 147 2S 0.01331 -0.00001 -0.06520 0.27553 0.00001 148 16 C 1S 0.00045 -0.01709 -0.00719 0.00031 0.00179 149 2S 0.18398 -0.29743 -0.35453 0.04248 0.33478 150 2PX -0.00045 -0.01069 -0.04039 0.01847 0.11583 151 2PY -0.09016 0.17665 0.04688 -0.10602 0.18400 152 2PZ 0.07286 -0.00092 0.00880 -0.07893 0.13654 153 3S -1.07239 2.08067 0.99522 0.33897 0.57609 154 3PX -0.04082 0.14201 0.15240 -0.25376 -0.40371 155 3PY 0.29133 -0.46892 -0.12750 0.62333 -0.55818 156 3PZ -0.68228 0.55261 0.23247 0.38918 -0.26691 157 4XX -0.04206 -0.03197 0.00491 -0.06967 -0.04963 158 4YY 0.08127 -0.05271 -0.03153 0.06278 0.00539 159 4ZZ -0.02683 0.06444 -0.00965 0.04080 0.06957 160 4XY -0.00658 -0.04131 0.02269 -0.00174 0.02501 161 4XZ -0.04364 -0.01269 0.00267 -0.12798 0.09152 162 4YZ 0.01273 -0.02639 -0.00037 -0.00929 -0.05278 163 17 H 1S 0.09679 -0.26163 -0.00267 0.00693 -0.18581 164 2S 0.12124 -0.33462 -0.24349 0.30859 -0.33265 165 18 C 1S -0.02361 0.00200 0.01137 -0.00411 -0.00025 166 2S -0.72221 0.13069 0.19521 0.06643 -0.15901 167 2PX -0.16951 -0.11068 -0.03030 0.07210 -0.14237 168 2PY 0.10533 -0.02524 -0.00222 -0.05843 -0.02716 169 2PZ 0.09341 -0.13335 -0.04885 0.06286 -0.10224 170 3S 1.95409 -0.67634 -0.66639 -0.50461 0.60640 171 3PX 0.21410 0.73719 0.08743 -0.01631 0.88124 172 3PY -0.69220 0.37705 0.11686 0.13867 -0.29077 173 3PZ -0.30857 1.63895 0.34395 0.00746 1.57956 174 4XX 0.05705 0.01880 -0.01811 0.05446 -0.02599 175 4YY -0.06562 0.01222 0.02924 -0.00483 -0.00532 176 4ZZ -0.06286 -0.02622 0.01898 -0.04975 0.00620 177 4XY 0.02360 0.00304 -0.01156 0.08501 0.02809 178 4XZ 0.02720 0.01737 -0.01224 0.07140 -0.03714 179 4YZ 0.01296 0.04395 -0.01602 -0.04111 0.09019 180 19 H 1S -0.16851 -0.23580 0.01935 -0.02338 -0.53225 181 2S -0.40300 -0.40812 -0.05744 0.17080 -0.64210 182 20 C 1S 0.00045 0.01709 -0.00719 0.00031 -0.00179 183 2S 0.18397 0.29741 -0.35453 0.04249 -0.33479 184 2PX -0.00044 0.01070 -0.04039 0.01847 -0.11583 185 2PY 0.09016 0.17665 -0.04689 0.10601 0.18400 186 2PZ 0.07287 0.00092 0.00880 -0.07892 -0.13654 187 3S -1.07237 -2.08063 0.99528 0.33895 -0.57606 188 3PX -0.04083 -0.14204 0.15240 -0.25379 0.40369 189 3PY -0.29135 -0.46893 0.12754 -0.62328 -0.55818 190 3PZ -0.68229 -0.55259 0.23248 0.38913 0.26692 191 4XX -0.04206 0.03197 0.00491 -0.06967 0.04963 192 4YY 0.08127 0.05271 -0.03154 0.06278 -0.00539 193 4ZZ -0.02683 -0.06444 -0.00964 0.04080 -0.06957 194 4XY 0.00658 -0.04131 -0.02269 0.00173 0.02501 195 4XZ -0.04364 0.01270 0.00267 -0.12797 -0.09152 196 4YZ -0.01273 -0.02640 0.00037 0.00929 -0.05278 197 21 H 1S 0.09679 0.26164 -0.00268 0.00692 0.18581 198 2S 0.12123 0.33460 -0.24351 0.30856 0.33264 199 22 C 1S -0.02361 -0.00200 0.01137 -0.00411 0.00025 200 2S -0.72219 -0.13067 0.19521 0.06641 0.15901 201 2PX -0.16951 0.11068 -0.03031 0.07210 0.14237 202 2PY -0.10533 -0.02524 0.00222 0.05843 -0.02716 203 2PZ 0.09341 0.13335 -0.04886 0.06286 0.10223 204 3S 1.95403 0.67630 -0.66639 -0.50452 -0.60642 205 3PX 0.21409 -0.73719 0.08746 -0.01630 -0.88124 206 3PY 0.69222 0.37704 -0.11687 -0.13867 -0.29078 207 3PZ -0.30859 -1.63894 0.34399 0.00746 -1.57955 208 4XX 0.05705 -0.01880 -0.01811 0.05446 0.02599 209 4YY -0.06562 -0.01222 0.02924 -0.00483 0.00532 210 4ZZ -0.06286 0.02622 0.01898 -0.04975 -0.00620 211 4XY -0.02360 0.00304 0.01156 -0.08501 0.02809 212 4XZ 0.02720 -0.01737 -0.01224 0.07140 0.03714 213 4YZ -0.01296 0.04395 0.01602 0.04111 0.09019 214 23 H 1S -0.16851 0.23580 0.01934 -0.02339 0.53225 215 2S -0.40299 0.40812 -0.05745 0.17079 0.64210 126 127 128 129 130 V V V V V Eigenvalues -- 1.20917 1.22388 1.23320 1.27425 1.28330 1 1 C 1S 0.00716 -0.02534 0.00017 0.01524 0.00367 2 2S 0.34272 -0.22775 0.10926 0.11212 -0.06742 3 2PX -0.09470 -0.22251 0.12545 0.05904 0.13117 4 2PY -0.10356 0.14182 -0.11152 0.06081 -0.06752 5 2PZ -0.03063 -0.01210 -0.01556 0.04739 0.09614 6 3S -0.50348 1.50829 -1.33719 0.81095 -0.62046 7 3PX -0.14083 0.84257 -1.32668 0.71433 -0.36016 8 3PY 0.46964 0.08932 -0.90773 0.04905 2.63095 9 3PZ -0.20910 0.63412 -0.39513 0.32910 -0.93133 10 4XX 0.15362 -0.04213 -0.02266 0.14553 0.15211 11 4YY 0.05379 -0.02986 0.01048 -0.02248 -0.01264 12 4ZZ -0.17321 0.03769 -0.00094 -0.05215 -0.14186 13 4XY 0.03990 0.07889 0.01106 0.14515 0.03677 14 4XZ 0.00852 0.05930 -0.00750 -0.03842 -0.03303 15 4YZ -0.09009 -0.02815 -0.02702 -0.10441 0.02599 16 2 C 1S 0.00716 -0.02534 -0.00017 0.01524 -0.00367 17 2S 0.34275 -0.22776 -0.10924 0.11215 0.06737 18 2PX -0.09471 -0.22253 -0.12542 0.05898 -0.13118 19 2PY 0.10356 -0.14184 -0.11152 -0.06083 -0.06749 20 2PZ -0.03063 -0.01210 0.01556 0.04734 -0.09617 21 3S -0.50351 1.50848 1.33708 0.81123 0.62009 22 3PX -0.14077 0.84270 1.32664 0.71445 0.35979 23 3PY -0.46971 -0.08924 -0.90768 -0.04780 2.63096 24 3PZ -0.20907 0.63418 0.39509 0.32953 0.93118 25 4XX 0.15362 -0.04213 0.02266 0.14546 -0.15218 26 4YY 0.05379 -0.02987 -0.01048 -0.02247 0.01265 27 4ZZ -0.17321 0.03770 0.00095 -0.05208 0.14189 28 4XY -0.03990 -0.07888 0.01106 -0.14513 0.03683 29 4XZ 0.00853 0.05930 0.00749 -0.03841 0.03304 30 4YZ 0.09009 0.02815 -0.02701 0.10442 0.02594 31 3 C 1S -0.01524 0.01470 -0.00450 0.02117 0.00497 32 2S -0.43807 0.42958 -0.09562 0.61718 0.07588 33 2PX 0.00181 -0.09899 -0.22903 -0.08020 0.23006 34 2PY -0.11327 0.06969 -0.09359 0.11049 -0.03175 35 2PZ -0.07271 -0.05517 -0.30218 -0.07082 0.19906 36 3S 1.46602 -1.99785 0.34789 -1.65434 -0.84444 37 3PX 0.20781 0.74907 2.07041 0.68238 -1.72056 38 3PY 1.10400 -0.79824 -0.01693 -1.63231 -0.71675 39 3PZ 0.55498 0.67069 2.42953 0.65047 -1.99975 40 4XX -0.22268 0.04967 -0.01538 -0.07133 0.08966 41 4YY 0.00322 -0.01567 0.03236 0.04772 -0.02101 42 4ZZ 0.17689 -0.02381 -0.02102 0.07300 -0.08172 43 4XY -0.01159 -0.00794 -0.00366 0.03550 -0.03672 44 4XZ -0.02603 0.08059 -0.03583 0.01886 -0.04801 45 4YZ -0.03134 0.00353 -0.08020 -0.10401 0.06418 46 4 C 1S 0.01314 0.00013 0.02431 -0.00950 -0.02157 47 2S 0.21645 -0.03766 0.59526 -0.28647 -0.38723 48 2PX -0.01132 -0.05968 0.04114 0.10081 -0.01726 49 2PY 0.07296 -0.06802 0.07730 -0.19796 -0.03101 50 2PZ 0.02735 -0.07276 -0.00073 0.08588 -0.10180 51 3S -1.06475 -0.00234 -3.05305 -0.00201 2.01291 52 3PX 0.42846 -0.03013 0.23912 -0.61556 -0.34594 53 3PY -0.00073 0.32588 0.83405 0.95712 -1.39695 54 3PZ 0.44951 -0.06436 0.47703 -0.65666 -0.29841 55 4XX 0.07336 0.00577 0.01069 0.04060 -0.01724 56 4YY 0.04100 0.02102 -0.00233 -0.07144 -0.00662 57 4ZZ -0.11045 -0.02966 0.03815 0.03954 0.00914 58 4XY 0.14130 -0.09703 -0.03437 -0.02884 0.01824 59 4XZ 0.02783 0.06018 0.00794 -0.01510 -0.04413 60 4YZ -0.14940 0.08746 -0.06112 -0.03116 0.03250 61 5 C 1S 0.01314 0.00013 -0.02431 -0.00949 0.02157 62 2S 0.21642 -0.03771 -0.59528 -0.28627 0.38736 63 2PX -0.01133 -0.05969 -0.04113 0.10082 0.01722 64 2PY -0.07296 0.06803 0.07730 0.19795 -0.03110 65 2PZ 0.02735 -0.07275 0.00074 0.08593 0.10176 66 3S -1.06464 -0.00213 3.05307 -0.00309 -2.01295 67 3PX 0.42849 -0.03013 -0.23917 -0.61538 0.34624 68 3PY 0.00081 -0.32588 0.83403 -0.95778 -1.39653 69 3PZ 0.44953 -0.06440 -0.47707 -0.65651 0.29872 70 4XX 0.07336 0.00577 -0.01068 0.04061 0.01723 71 4YY 0.04100 0.02103 0.00232 -0.07143 0.00665 72 4ZZ -0.11045 -0.02966 -0.03814 0.03954 -0.00916 73 4XY -0.14130 0.09703 -0.03437 0.02885 0.01822 74 4XZ 0.02783 0.06019 -0.00794 -0.01508 0.04414 75 4YZ 0.14940 -0.08747 -0.06112 0.03118 0.03250 76 6 C 1S -0.01524 0.01470 0.00450 0.02117 -0.00498 77 2S -0.43806 0.42957 0.09562 0.61712 -0.07618 78 2PX 0.00182 -0.09897 0.22904 -0.08031 -0.23002 79 2PY 0.11326 -0.06970 -0.09359 -0.11050 -0.03170 80 2PZ -0.07270 -0.05515 0.30219 -0.07092 -0.19903 81 3S 1.46601 -1.99786 -0.34778 -1.65388 0.84527 82 3PX 0.20773 0.74894 -2.07046 0.68320 1.72028 83 3PY -1.10401 0.79820 -0.01691 1.63197 -0.71747 84 3PZ 0.55488 0.67055 -2.42959 0.65148 1.99947 85 4XX -0.22268 0.04967 0.01537 -0.07137 -0.08963 86 4YY 0.00322 -0.01567 -0.03236 0.04773 0.02099 87 4ZZ 0.17690 -0.02381 0.02102 0.07304 0.08169 88 4XY 0.01159 0.00793 -0.00366 -0.03552 -0.03670 89 4XZ -0.02603 0.08059 0.03583 0.01887 0.04799 90 4YZ 0.03134 -0.00354 -0.08019 0.10404 0.06413 91 7 H 1S -0.18293 0.06488 0.00978 0.10968 -0.41904 92 2S 0.15206 0.10313 -0.05210 0.14521 -0.62202 93 8 H 1S -0.18293 0.06490 -0.00978 0.10987 0.41899 94 2S 0.15208 0.10316 0.05209 0.14548 0.62195 95 9 H 1S -0.06023 0.08563 0.21491 0.23173 -0.25631 96 2S -0.11363 -0.03934 0.33392 0.49414 -0.35671 97 10 H 1S -0.06026 0.08562 -0.21490 0.23186 0.25620 98 2S -0.11366 -0.03935 -0.33388 0.49432 0.35650 99 11 O 1S -0.00634 -0.00658 0.00897 0.01677 0.00583 100 2S 0.05491 -0.22934 0.13452 0.08312 0.05247 101 2PX -0.07774 0.05760 0.07902 -0.03557 -0.01466 102 2PY 0.09901 -0.15428 -0.02178 -0.14170 -0.02556 103 2PZ 0.02185 0.04542 0.23214 0.01354 0.02298 104 3S 0.20636 0.42742 -0.43207 -0.75179 -0.29969 105 3PX 0.05600 -0.19994 -0.44437 0.02619 0.25956 106 3PY -0.12044 0.34196 -0.12175 0.05048 -0.01928 107 3PZ -0.10723 -0.18429 -0.79929 -0.22759 0.27976 108 4XX -0.04482 -0.04212 0.01512 0.02253 0.02657 109 4YY 0.00481 -0.06204 0.04514 0.02542 0.04432 110 4ZZ 0.05022 -0.06510 0.05288 0.05917 -0.01739 111 4XY -0.01323 0.00764 0.03061 -0.03189 0.02111 112 4XZ -0.01130 0.02792 -0.05019 -0.04002 -0.01635 113 4YZ 0.00182 0.03007 0.08819 0.07139 -0.03372 114 12 O 1S -0.00634 -0.00658 -0.00897 0.01677 -0.00583 115 2S 0.05490 -0.22936 -0.13448 0.08311 -0.05248 116 2PX -0.07775 0.05758 -0.07902 -0.03556 0.01467 117 2PY -0.09901 0.15428 -0.02179 0.14169 -0.02563 118 2PZ 0.02185 0.04539 -0.23214 0.01354 -0.02299 119 3S 0.20638 0.42749 0.43195 -0.75168 0.29997 120 3PX 0.05601 -0.19990 0.44439 0.02606 -0.25958 121 3PY 0.12044 -0.34198 -0.12171 -0.05048 -0.01924 122 3PZ -0.10721 -0.18422 0.79930 -0.22775 -0.27966 123 4XX -0.04482 -0.04212 -0.01511 0.02252 -0.02658 124 4YY 0.00481 -0.06204 -0.04513 0.02540 -0.04432 125 4ZZ 0.05022 -0.06511 -0.05287 0.05918 0.01737 126 4XY 0.01323 -0.00763 0.03061 0.03190 0.02109 127 4XZ -0.01129 0.02792 0.05018 -0.04001 0.01636 128 4YZ -0.00182 -0.03007 0.08819 -0.07141 -0.03368 129 13 C 1S -0.04721 -0.03954 0.00000 -0.06762 0.00002 130 2S -0.62373 -0.58056 0.00003 -0.91782 0.00022 131 2PX -0.01300 -0.06397 0.00000 -0.07339 0.00002 132 2PY 0.00000 -0.00001 -0.10202 -0.00004 -0.17882 133 2PZ 0.06137 0.25478 -0.00002 -0.19897 0.00004 134 3S 2.57689 3.81848 -0.00025 1.86574 -0.00051 135 3PX 0.53429 1.55530 -0.00010 -0.16073 0.00000 136 3PY 0.00001 0.00004 0.26285 0.00016 0.73598 137 3PZ -0.53665 -0.08748 0.00002 0.81141 -0.00019 138 4XX 0.00478 -0.01668 0.00000 -0.09101 0.00002 139 4YY -0.05141 0.10422 -0.00001 -0.05764 0.00001 140 4ZZ -0.05189 -0.12793 0.00001 -0.01690 0.00001 141 4XY 0.00000 0.00000 0.04155 -0.00001 -0.05123 142 4XZ 0.08228 0.02170 0.00000 -0.01695 0.00000 143 4YZ 0.00000 0.00000 -0.04260 0.00000 0.00535 144 14 H 1S -0.36172 -0.36261 0.00002 -0.09508 0.00003 145 2S -0.55204 -0.32915 0.00003 0.19077 -0.00003 146 15 H 1S 0.00059 0.10488 -0.00001 -0.32262 0.00007 147 2S -0.12800 0.23991 -0.00001 -0.34826 0.00008 148 16 C 1S 0.00327 0.01823 -0.02030 -0.01390 0.00050 149 2S 0.10923 0.45394 -0.38021 -0.47450 0.08775 150 2PX 0.02698 0.05032 -0.04319 -0.08470 0.02409 151 2PY -0.05843 0.13184 0.13830 -0.10226 0.16284 152 2PZ -0.11810 -0.01439 -0.03685 0.06991 0.03373 153 3S -0.56979 -2.34324 1.30571 0.76224 -0.27628 154 3PX 0.15923 0.10550 0.19679 0.59101 -0.36030 155 3PY -0.38875 -2.00630 -1.06800 0.24255 -1.69224 156 3PZ 0.79180 0.15536 -0.02844 0.16214 -1.08796 157 4XX -0.04002 -0.02955 0.02014 -0.03246 0.02958 158 4YY 0.02520 -0.02406 -0.09051 -0.00832 -0.06760 159 4ZZ 0.02376 0.05628 0.02087 -0.00975 0.01585 160 4XY -0.05835 -0.04053 -0.06931 0.00235 -0.00857 161 4XZ -0.06440 0.03047 -0.00187 -0.01894 0.13478 162 4YZ 0.01208 -0.04232 0.01981 0.03236 -0.00872 163 17 H 1S -0.07004 -0.19271 -0.37114 0.04474 -0.46229 164 2S 0.09633 -0.45693 -0.52847 -0.02558 -0.71541 165 18 C 1S 0.00004 -0.01642 0.00947 0.01665 0.00480 166 2S -0.04904 -0.49815 0.32051 0.28869 0.20382 167 2PX 0.06809 0.02253 0.03358 0.00113 0.04497 168 2PY -0.12802 -0.13883 -0.01018 0.04478 0.06408 169 2PZ 0.05647 0.04268 -0.06533 -0.01734 -0.03901 170 3S -0.58598 0.82484 -0.28680 -0.62174 1.14735 171 3PX -0.06674 -0.29656 -0.23896 0.13976 -0.50519 172 3PY 0.59808 0.89283 0.87046 -0.32126 0.52801 173 3PZ -0.16240 -1.05694 -0.00515 0.64792 -0.89865 174 4XX 0.08222 0.05770 -0.00940 -0.05553 -0.08216 175 4YY -0.03717 -0.09321 0.01638 0.08862 0.01426 176 4ZZ -0.02923 -0.00876 0.03167 -0.00440 0.09622 177 4XY -0.09848 -0.06490 -0.01298 -0.04549 0.00408 178 4XZ 0.10547 0.05075 0.03426 0.05107 -0.02006 179 4YZ -0.02055 0.01071 -0.01066 -0.01146 -0.00582 180 19 H 1S 0.09927 0.33585 0.20985 -0.19488 0.20480 181 2S 0.24407 0.37382 0.26585 -0.22485 0.31928 182 20 C 1S 0.00327 0.01823 0.02030 -0.01390 -0.00049 183 2S 0.10921 0.45399 0.38013 -0.47456 -0.08757 184 2PX 0.02697 0.05032 0.04318 -0.08471 -0.02405 185 2PY 0.05844 -0.13182 0.13832 0.10232 0.16279 186 2PZ -0.11810 -0.01439 0.03686 0.06990 -0.03376 187 3S -0.56973 -2.34337 -1.30535 0.76251 0.27611 188 3PX 0.15925 0.10550 -0.19680 0.59119 0.36003 189 3PY 0.38868 2.00611 -1.06827 -0.24328 -1.69221 190 3PZ 0.79184 0.15542 0.02841 0.16266 1.08790 191 4XX -0.04002 -0.02956 -0.02015 -0.03247 -0.02958 192 4YY 0.02520 -0.02404 0.09052 -0.00830 0.06761 193 4ZZ 0.02376 0.05628 -0.02088 -0.00976 -0.01584 194 4XY 0.05835 0.04052 -0.06932 -0.00235 -0.00856 195 4XZ -0.06440 0.03047 0.00187 -0.01899 -0.13478 196 4YZ -0.01208 0.04232 0.01980 -0.03237 -0.00871 197 21 H 1S -0.07002 -0.19265 0.37117 0.04493 0.46228 198 2S 0.09636 -0.45684 0.52851 -0.02528 0.71543 199 22 C 1S 0.00005 -0.01642 -0.00947 0.01665 -0.00481 200 2S -0.04902 -0.49818 -0.32044 0.28865 -0.20391 201 2PX 0.06809 0.02252 -0.03359 0.00111 -0.04497 202 2PY 0.12802 0.13883 -0.01021 -0.04474 0.06409 203 2PZ 0.05647 0.04269 0.06533 -0.01733 0.03901 204 3S -0.58612 0.82477 0.28670 -0.62246 -1.14715 205 3PX -0.06673 -0.29650 0.23900 0.13999 0.50515 206 3PY -0.59804 -0.89269 0.87060 0.32151 0.52791 207 3PZ -0.16237 -1.05686 0.00531 0.64839 0.89843 208 4XX 0.08222 0.05770 0.00938 -0.05549 0.08219 209 4YY -0.03717 -0.09321 -0.01637 0.08861 -0.01429 210 4ZZ -0.02923 -0.00876 -0.03167 -0.00444 -0.09623 211 4XY 0.09848 0.06490 -0.01300 0.04549 0.00404 212 4XZ 0.10547 0.05075 -0.03427 0.05108 0.02004 213 4YZ 0.02055 -0.01071 -0.01065 0.01146 -0.00582 214 23 H 1S 0.09927 0.33581 -0.20990 -0.19497 -0.20472 215 2S 0.24407 0.37377 -0.26591 -0.22499 -0.31920 131 132 133 134 135 V V V V V Eigenvalues -- 1.34147 1.35789 1.40069 1.40792 1.41784 1 1 C 1S -0.01574 0.02333 -0.02973 -0.01814 -0.01356 2 2S -0.66052 0.45963 -0.49591 -0.54870 -0.15845 3 2PX 0.02795 -0.11109 0.07643 0.09857 0.09528 4 2PY -0.01715 -0.09476 -0.09598 -0.04572 -0.11279 5 2PZ -0.08717 0.10479 -0.08434 -0.14793 0.13883 6 3S 3.48288 -0.81714 1.28657 1.21765 1.75531 7 3PX 1.11004 0.17042 -0.31903 0.35213 0.12998 8 3PY -0.59066 0.11564 0.82629 0.44771 0.89003 9 3PZ 1.27176 -0.32576 -0.04216 0.71799 -0.02515 10 4XX -0.06905 -0.01063 0.03979 0.01970 -0.06907 11 4YY 0.00232 0.08991 0.01859 0.00101 0.02001 12 4ZZ 0.06912 -0.06475 -0.11419 -0.02973 0.01514 13 4XY 0.03779 -0.03700 0.03159 -0.03578 0.06875 14 4XZ -0.02851 -0.00026 0.00723 -0.09301 -0.02722 15 4YZ 0.03332 0.02803 -0.00003 -0.00038 0.10432 16 2 C 1S 0.01574 0.02333 -0.02974 0.01813 -0.01355 17 2S 0.66051 0.45963 -0.49612 0.54858 -0.15819 18 2PX -0.02795 -0.11110 0.07645 -0.09857 0.09526 19 2PY -0.01716 0.09476 0.09600 -0.04571 0.11277 20 2PZ 0.08717 0.10479 -0.08440 0.14786 0.13887 21 3S -3.48285 -0.81712 1.28710 -1.21774 1.75433 22 3PX -1.11002 0.17044 -0.31881 -0.35230 0.12968 23 3PY -0.59065 -0.11557 -0.82648 0.44767 -0.88969 24 3PZ -1.27174 -0.32572 -0.04186 -0.71802 -0.02547 25 4XX 0.06905 -0.01063 0.03979 -0.01967 -0.06903 26 4YY -0.00232 0.08991 0.01859 -0.00101 0.02000 27 4ZZ -0.06912 -0.06474 -0.11419 0.02969 0.01511 28 4XY 0.03779 0.03700 -0.03158 -0.03576 -0.06875 29 4XZ 0.02851 -0.00026 0.00720 0.09303 -0.02718 30 4YZ 0.03332 -0.02803 0.00003 -0.00036 -0.10431 31 3 C 1S -0.01951 -0.00398 -0.01022 0.00252 0.00772 32 2S -0.58792 -0.09526 -0.32748 0.19758 0.18175 33 2PX 0.16974 0.06782 0.00436 -0.08636 -0.14851 34 2PY -0.15614 0.01455 -0.08611 0.05769 0.02253 35 2PZ -0.09812 -0.03519 -0.04163 0.09250 -0.01723 36 3S 1.73762 0.77516 0.03531 0.23013 -0.56083 37 3PX -1.39924 -0.33726 0.40594 -0.42402 1.30649 38 3PY 0.69566 0.00025 1.19508 -0.22815 -0.34925 39 3PZ -0.57831 0.10568 0.67986 -0.75713 0.93605 40 4XX -0.10321 0.08098 0.01674 -0.03454 -0.05265 41 4YY 0.03727 0.04882 -0.00347 -0.02306 -0.06722 42 4ZZ 0.06137 -0.13897 -0.05168 0.05375 0.11559 43 4XY 0.02040 0.14254 0.06059 -0.10734 -0.20296 44 4XZ -0.10912 0.00213 0.08929 0.07285 -0.00473 45 4YZ -0.06320 -0.11587 0.00330 0.03259 0.12249 46 4 C 1S -0.01284 0.00049 0.01129 -0.00627 0.00486 47 2S -0.48728 -0.01870 0.10451 0.03474 -0.05927 48 2PX 0.14694 0.02735 0.04639 -0.02454 0.08348 49 2PY -0.08787 0.03062 0.05792 0.06569 -0.10445 50 2PZ 0.10540 0.06213 -0.00084 -0.01888 0.07170 51 3S 1.26892 -0.08855 -0.75692 0.40622 -1.03873 52 3PX -0.66803 0.00125 0.37375 -0.21481 -0.23985 53 3PY 0.23765 0.00236 -0.05198 -0.27446 0.89797 54 3PZ -1.04839 -0.07713 0.39301 -0.24259 -0.10072 55 4XX 0.05698 -0.17917 -0.02146 0.03177 0.18257 56 4YY -0.01531 -0.03055 0.04076 0.01402 -0.01850 57 4ZZ -0.07719 0.21160 -0.02838 -0.04887 -0.15491 58 4XY -0.00728 -0.03216 -0.16348 0.01707 0.06407 59 4XZ -0.05097 -0.07548 0.10184 0.01654 0.02533 60 4YZ -0.06376 0.00442 0.14185 0.02149 -0.10781 61 5 C 1S 0.01284 0.00049 0.01128 0.00628 0.00486 62 2S 0.48728 -0.01869 0.10451 -0.03469 -0.05936 63 2PX -0.14694 0.02734 0.04639 0.02453 0.08350 64 2PY -0.08787 -0.03063 -0.05795 0.06564 0.10448 65 2PZ -0.10540 0.06213 -0.00085 0.01886 0.07171 66 3S -1.26888 -0.08856 -0.75670 -0.40617 -1.03832 67 3PX 0.66801 0.00125 0.37364 0.21502 -0.23995 68 3PY 0.23766 -0.00241 0.05211 -0.27416 -0.89853 69 3PZ 1.04837 -0.07713 0.39287 0.24276 -0.10081 70 4XX -0.05698 -0.17917 -0.02146 -0.03183 0.18257 71 4YY 0.01531 -0.03055 0.04076 -0.01400 -0.01850 72 4ZZ 0.07718 0.21160 -0.02840 0.04891 -0.15491 73 4XY -0.00728 0.03216 0.16347 0.01714 -0.06405 74 4XZ 0.05097 -0.07548 0.10185 -0.01651 0.02533 75 4YZ -0.06377 -0.00442 -0.14185 0.02141 0.10781 76 6 C 1S 0.01951 -0.00398 -0.01022 -0.00253 0.00773 77 2S 0.58795 -0.09525 -0.32741 -0.19777 0.18175 78 2PX -0.16974 0.06781 0.00433 0.08641 -0.14851 79 2PY -0.15615 -0.01455 0.08609 0.05773 -0.02252 80 2PZ 0.09812 -0.03519 -0.04159 -0.09251 -0.01729 81 3S -1.73772 0.77515 0.03541 -0.22993 -0.56147 82 3PX 1.39923 -0.33721 0.40573 0.42375 1.30690 83 3PY 0.69573 -0.00026 -1.19498 -0.22870 0.34936 84 3PZ 0.57829 0.10571 0.67950 0.75708 0.93657 85 4XX 0.10321 0.08098 0.01672 0.03457 -0.05260 86 4YY -0.03727 0.04881 -0.00347 0.02307 -0.06724 87 4ZZ -0.06136 -0.13897 -0.05166 -0.05381 0.11556 88 4XY 0.02040 -0.14254 -0.06055 -0.10742 0.20297 89 4XZ 0.10912 0.00214 0.08932 -0.07282 -0.00476 90 4YZ -0.06320 0.11587 -0.00331 0.03262 -0.12253 91 7 H 1S 0.21403 0.05260 -0.24929 -0.00344 -0.07721 92 2S 0.11967 -0.00113 -0.23768 0.10327 -0.39422 93 8 H 1S -0.21403 0.05261 -0.24929 0.00337 -0.07716 94 2S -0.11967 -0.00110 -0.23764 -0.10325 -0.39421 95 9 H 1S 0.17201 0.00032 -0.07881 0.03126 0.18451 96 2S 0.33817 0.07106 -0.16887 0.00427 0.33933 97 10 H 1S -0.17201 0.00033 -0.07879 -0.03135 0.18456 98 2S -0.33817 0.07107 -0.16886 -0.00444 0.33943 99 11 O 1S 0.00574 0.01029 -0.02367 0.00351 0.00408 100 2S 0.12398 0.24897 -0.26869 -0.00238 0.03589 101 2PX -0.16554 -0.03995 0.02369 0.02265 -0.02262 102 2PY 0.02678 0.09541 0.02624 -0.03571 -0.00904 103 2PZ -0.03674 0.00907 -0.01691 -0.03964 -0.02116 104 3S -0.23020 -0.62690 1.20539 -0.17072 -0.19383 105 3PX 0.51253 0.20006 -0.11516 -0.01709 -0.25559 106 3PY -0.13820 -0.24784 0.24462 -0.01101 -0.04654 107 3PZ 0.12875 -0.11093 -0.03964 0.17805 -0.05252 108 4XX 0.03198 0.09564 -0.04835 -0.03460 -0.05711 109 4YY 0.01794 0.04518 -0.10004 0.00908 0.06356 110 4ZZ 0.04916 0.04511 -0.08764 0.03075 0.02965 111 4XY -0.07717 -0.07951 -0.03923 0.05742 0.14575 112 4XZ -0.05800 -0.03751 0.10567 0.01057 0.04407 113 4YZ -0.01281 0.08265 0.02446 -0.04066 -0.07381 114 12 O 1S -0.00574 0.01029 -0.02367 -0.00352 0.00408 115 2S -0.12398 0.24896 -0.26869 0.00227 0.03585 116 2PX 0.16554 -0.03995 0.02370 -0.02263 -0.02264 117 2PY 0.02679 -0.09541 -0.02623 -0.03572 0.00904 118 2PZ 0.03674 0.00907 -0.01693 0.03964 -0.02114 119 3S 0.23020 -0.62687 1.20530 0.17124 -0.19366 120 3PX -0.51253 0.20005 -0.11515 0.01713 -0.25562 121 3PY -0.13822 0.24783 -0.24462 -0.01111 0.04648 122 3PZ -0.12874 -0.11093 -0.03956 -0.17805 -0.05260 123 4XX -0.03197 0.09563 -0.04836 0.03460 -0.05711 124 4YY -0.01794 0.04518 -0.10004 -0.00914 0.06356 125 4ZZ -0.04916 0.04511 -0.08763 -0.03079 0.02962 126 4XY -0.07717 0.07951 0.03922 0.05747 -0.14576 127 4XZ 0.05800 -0.03750 0.10568 -0.01054 0.04408 128 4YZ -0.01281 -0.08265 -0.02445 -0.04069 0.07382 129 13 C 1S 0.00000 0.00829 -0.04017 -0.00001 0.02111 130 2S -0.00001 -0.00532 -0.53414 -0.00010 0.22065 131 2PX 0.00000 -0.21350 0.08652 0.00001 0.02197 132 2PY 0.00195 0.00000 0.00001 -0.08161 0.00000 133 2PZ 0.00000 0.06685 -0.09942 -0.00002 -0.00680 134 3S 0.00004 -0.63407 1.44766 0.00021 -0.59120 135 3PX -0.00001 0.75221 -0.32448 -0.00008 0.07457 136 3PY -0.31841 0.00003 0.00003 -0.19015 0.00006 137 3PZ 0.00003 -0.78577 0.31219 0.00003 -0.09742 138 4XX 0.00000 0.05080 -0.05107 0.00000 -0.01173 139 4YY 0.00000 0.02533 0.00687 -0.00002 0.09642 140 4ZZ 0.00000 -0.08648 -0.01715 0.00001 -0.05772 141 4XY -0.00865 0.00000 -0.00001 0.03897 0.00005 142 4XZ 0.00000 -0.05470 -0.00407 0.00001 -0.07385 143 4YZ -0.04522 0.00000 0.00004 -0.21252 -0.00007 144 14 H 1S 0.00000 -0.10649 -0.07542 -0.00001 0.02471 145 2S 0.00001 -0.19443 -0.08264 -0.00004 0.17238 146 15 H 1S -0.00001 0.23284 -0.22592 -0.00005 0.12638 147 2S -0.00001 0.39376 -0.39275 -0.00007 0.06935 148 16 C 1S 0.00711 -0.03145 0.03838 0.00200 -0.00206 149 2S 0.39650 -0.25719 0.43272 0.21268 -0.11473 150 2PX 0.19100 -0.01824 0.05124 0.06647 -0.08638 151 2PY -0.01142 -0.11361 -0.06100 0.03563 0.04925 152 2PZ -0.13054 0.00592 -0.04371 -0.14804 0.01314 153 3S -0.52810 0.86512 -1.34969 -2.51719 0.28167 154 3PX -0.07227 -0.13927 -0.11556 -0.05350 -0.04117 155 3PY -0.11072 0.20189 0.67588 -1.46822 -0.06309 156 3PZ 0.39915 0.28048 0.36012 -0.94560 0.15993 157 4XX -0.10226 0.06491 0.05678 -0.00732 0.12515 158 4YY 0.05976 -0.00035 -0.00437 0.02592 -0.03547 159 4ZZ 0.04292 -0.10687 -0.01107 -0.06044 -0.08149 160 4XY -0.07495 0.11495 0.01034 -0.29416 0.07783 161 4XZ -0.00793 0.14780 0.06111 -0.08034 0.15277 162 4YZ 0.04058 -0.02344 0.02263 0.03994 -0.04746 163 17 H 1S -0.05105 -0.16087 0.35951 -0.14172 0.01001 164 2S 0.08618 0.06837 0.46276 -0.34452 -0.08812 165 18 C 1S 0.01815 -0.00041 0.00827 -0.05854 -0.00396 166 2S 0.50668 -0.08393 0.16927 -1.01744 -0.06701 167 2PX 0.16046 0.04129 0.02509 0.02341 0.00595 168 2PY -0.03241 -0.09509 0.12189 0.02990 -0.02146 169 2PZ -0.01024 0.15481 -0.11323 0.05703 0.04826 170 3S -1.41859 -0.53247 0.14679 5.74537 -0.14932 171 3PX -0.36683 -0.01233 0.17928 -0.67247 0.00665 172 3PY -0.08242 0.38607 -0.62411 2.04528 0.16858 173 3PZ -0.09151 -0.10985 0.40033 -2.44040 -0.11508 174 4XX -0.03350 -0.02544 -0.00846 0.11262 -0.07215 175 4YY 0.00639 -0.04744 0.04012 0.00763 -0.00567 176 4ZZ 0.04590 0.09360 -0.02744 -0.13986 0.06567 177 4XY 0.00224 -0.21855 -0.26802 -0.06234 -0.18392 178 4XZ 0.08391 -0.15501 0.00371 0.11807 -0.20244 179 4YZ -0.02048 -0.02919 0.16203 -0.01187 0.03036 180 19 H 1S 0.09675 0.02279 -0.14559 0.23185 0.04483 181 2S 0.26719 0.22513 -0.31508 0.57897 0.11270 182 20 C 1S -0.00710 -0.03145 0.03838 -0.00199 -0.00206 183 2S -0.39650 -0.25718 0.43279 -0.21251 -0.11475 184 2PX -0.19100 -0.01824 0.05127 -0.06643 -0.08641 185 2PY -0.01143 0.11362 0.06099 0.03567 -0.04925 186 2PZ 0.13055 0.00591 -0.04376 0.14802 0.01316 187 3S 0.52807 0.86500 -1.35050 2.51677 0.28205 188 3PX 0.07229 -0.13925 -0.11559 0.05345 -0.04112 189 3PY -0.11071 -0.20192 -0.67546 -1.46856 0.06290 190 3PZ -0.39917 0.28050 0.35982 0.94569 0.16026 191 4XX 0.10226 0.06491 0.05679 0.00731 0.12508 192 4YY -0.05976 -0.00034 -0.00436 -0.02590 -0.03546 193 4ZZ -0.04292 -0.10688 -0.01110 0.06045 -0.08142 194 4XY -0.07495 -0.11495 -0.01023 -0.29416 -0.07793 195 4XZ 0.00793 0.14779 0.06108 0.08032 0.15274 196 4YZ 0.04058 0.02344 -0.02265 0.03992 0.04751 197 21 H 1S 0.05105 -0.16085 0.35947 0.14184 0.01005 198 2S -0.08619 0.06841 0.46266 0.34472 -0.08806 199 22 C 1S -0.01815 -0.00041 0.00825 0.05854 -0.00395 200 2S -0.50669 -0.08399 0.16891 1.01753 -0.06675 201 2PX -0.16046 0.04128 0.02510 -0.02340 0.00597 202 2PY -0.03241 0.09509 -0.12190 0.02985 0.02145 203 2PZ 0.01024 0.15481 -0.11321 -0.05708 0.04825 204 3S 1.41863 -0.53230 0.14867 -5.74532 -0.15055 205 3PX 0.36684 -0.01232 0.17908 0.67255 0.00675 206 3PY -0.08239 -0.38611 0.62349 2.04557 -0.16829 207 3PZ 0.09151 -0.10988 0.39956 2.44059 -0.11461 208 4XX 0.03350 -0.02543 -0.00842 -0.11260 -0.07217 209 4YY -0.00639 -0.04744 0.04012 -0.00761 -0.00567 210 4ZZ -0.04589 0.09360 -0.02749 0.13984 0.06569 211 4XY 0.00223 0.21855 0.26804 -0.06229 0.18389 212 4XZ -0.08391 -0.15501 0.00374 -0.11802 -0.20242 213 4YZ -0.02048 0.02919 -0.16202 -0.01191 -0.03036 214 23 H 1S -0.09676 0.02278 -0.14552 -0.23192 0.04481 215 2S -0.26721 0.22513 -0.31492 -0.57912 0.11264 136 137 138 139 140 V V V V V Eigenvalues -- 1.42123 1.43717 1.45359 1.48633 1.52252 1 1 C 1S 0.03145 -0.02108 -0.00514 -0.00937 0.01826 2 2S 0.35386 -0.33639 0.03217 -0.16392 0.25273 3 2PX 0.00593 0.07038 -0.06516 0.05225 -0.14008 4 2PY 0.03722 0.03044 0.00842 0.02392 0.11681 5 2PZ 0.02937 0.03269 0.04779 -0.07986 -0.00563 6 3S -2.14625 0.87836 0.35429 0.66563 -1.00680 7 3PX -0.78202 -0.27352 0.22153 0.17801 0.16806 8 3PY -0.61939 0.20481 -0.32997 0.16563 -0.51293 9 3PZ -0.46546 -0.04887 -0.22183 0.30075 0.07600 10 4XX 0.12268 0.12151 -0.05939 -0.17339 0.08418 11 4YY -0.00861 -0.01592 0.01390 -0.00552 0.02829 12 4ZZ -0.10413 -0.15222 0.04929 0.18995 -0.07970 13 4XY -0.03027 -0.00433 -0.01136 0.07720 -0.38210 14 4XZ 0.05116 0.10115 -0.00314 -0.10480 0.17788 15 4YZ -0.03566 0.00039 0.04242 0.02818 0.10980 16 2 C 1S -0.03146 -0.02108 0.00514 -0.00937 0.01825 17 2S -0.35387 -0.33642 -0.03215 -0.16391 0.25271 18 2PX -0.00591 0.07038 0.06515 0.05224 -0.14007 19 2PY 0.03725 -0.03044 0.00842 -0.02392 -0.11681 20 2PZ -0.02932 0.03269 -0.04780 -0.07986 -0.00563 21 3S 2.14667 0.87850 -0.35438 0.66558 -1.00676 22 3PX 0.78211 -0.27347 -0.22153 0.17803 0.16797 23 3PY -0.61960 -0.20481 -0.32994 -0.16566 0.51295 24 3PZ 0.46546 -0.04884 0.22183 0.30079 0.07591 25 4XX -0.12271 0.12150 0.05939 -0.17338 0.08416 26 4YY 0.00862 -0.01592 -0.01390 -0.00552 0.02829 27 4ZZ 0.10415 -0.15220 -0.04928 0.18994 -0.07968 28 4XY -0.03028 0.00433 -0.01136 -0.07720 0.38211 29 4XZ -0.05117 0.10115 0.00314 -0.10480 0.17788 30 4YZ -0.03570 -0.00039 0.04243 -0.02818 -0.10980 31 3 C 1S 0.01372 -0.00263 -0.00881 0.00676 -0.00490 32 2S 0.16717 0.05546 -0.10382 0.09389 0.19350 33 2PX -0.08453 -0.02985 -0.04736 -0.01522 -0.02113 34 2PY -0.00038 0.01709 -0.02328 0.01062 0.01407 35 2PZ -0.12554 -0.02197 0.02673 -0.03014 0.04501 36 3S -1.92036 -0.93854 0.67134 -0.54675 -0.98877 37 3PX 0.95115 0.24354 0.38168 0.34632 -0.53583 38 3PY -0.54331 0.54398 0.45612 -0.25994 0.18869 39 3PZ 1.02460 0.23273 0.22026 0.30180 -0.62521 40 4XX 0.10558 -0.14084 -0.23203 0.11028 0.04176 41 4YY -0.08952 0.01295 -0.07034 -0.01634 -0.01697 42 4ZZ -0.02190 0.09868 0.30093 -0.08701 -0.03861 43 4XY -0.14711 0.11344 -0.22504 0.00447 -0.02462 44 4XZ -0.04285 0.14382 -0.05601 0.00120 0.02913 45 4YZ 0.16811 -0.15177 0.15766 0.07913 0.09163 46 4 C 1S -0.01267 -0.00047 0.00772 0.00265 -0.00740 47 2S -0.28173 -0.03114 0.19883 -0.02141 -0.03227 48 2PX 0.06391 -0.05667 0.02837 -0.07074 -0.05988 49 2PY -0.02917 -0.04303 0.02224 -0.00937 0.00081 50 2PZ 0.01532 0.04471 -0.08250 0.10349 -0.03068 51 3S 1.79193 -0.10241 -1.08461 -0.13144 0.83128 52 3PX -0.57998 0.06854 0.49611 -0.02730 -0.05371 53 3PY 1.58868 0.07444 -0.09116 0.15117 -0.42873 54 3PZ -0.52233 0.05715 0.58392 -0.06928 -0.07732 55 4XX 0.06821 -0.16039 0.25576 -0.25242 0.00758 56 4YY 0.00883 0.04619 0.00917 -0.01892 0.01361 57 4ZZ -0.07858 0.09454 -0.26000 0.28105 -0.03957 58 4XY -0.02688 0.16944 0.05678 0.27740 0.12323 59 4XZ 0.01822 0.06808 0.04220 0.00941 0.03414 60 4YZ 0.00152 -0.14740 -0.01508 -0.25121 -0.02974 61 5 C 1S 0.01267 -0.00047 -0.00772 0.00265 -0.00740 62 2S 0.28171 -0.03114 -0.19883 -0.02142 -0.03227 63 2PX -0.06388 -0.05667 -0.02837 -0.07073 -0.05988 64 2PY -0.02914 0.04303 0.02223 0.00937 -0.00081 65 2PZ -0.01530 0.04471 0.08250 0.10349 -0.03068 66 3S -1.79220 -0.10245 1.08464 -0.13142 0.83132 67 3PX 0.57987 0.06855 -0.49611 -0.02732 -0.05370 68 3PY 1.58842 -0.07439 -0.09114 -0.15116 0.42871 69 3PZ 0.52228 0.05714 -0.58392 -0.06930 -0.07733 70 4XX -0.06814 -0.16040 -0.25576 -0.25242 0.00759 71 4YY -0.00884 0.04618 -0.00917 -0.01893 0.01361 72 4ZZ 0.07852 0.09455 0.26000 0.28106 -0.03958 73 4XY -0.02690 -0.16944 0.05679 -0.27740 -0.12324 74 4XZ -0.01822 0.06808 -0.04221 0.00940 0.03414 75 4YZ 0.00155 0.14740 -0.01509 0.25121 0.02974 76 6 C 1S -0.01371 -0.00263 0.00881 0.00676 -0.00490 77 2S -0.16710 0.05546 0.10381 0.09388 0.19351 78 2PX 0.08449 -0.02985 0.04736 -0.01522 -0.02113 79 2PY -0.00039 -0.01709 -0.02328 -0.01062 -0.01407 80 2PZ 0.12553 -0.02197 -0.02673 -0.03014 0.04501 81 3S 1.92024 -0.93846 -0.67127 -0.54675 -0.98885 82 3PX -0.95078 0.24351 -0.38173 0.34629 -0.53579 83 3PY -0.54314 -0.54400 0.45613 0.25995 -0.18865 84 3PZ -1.02437 0.23268 -0.22030 0.30178 -0.62521 85 4XX -0.10558 -0.14084 0.23204 0.11029 0.04174 86 4YY 0.08949 0.01296 0.07033 -0.01635 -0.01696 87 4ZZ 0.02193 0.09868 -0.30094 -0.08702 -0.03859 88 4XY -0.14704 -0.11347 -0.22504 -0.00446 0.02461 89 4XZ 0.04284 0.14382 0.05600 0.00120 0.02914 90 4YZ 0.16807 0.15180 0.15766 -0.07913 -0.09162 91 7 H 1S 0.14518 -0.08484 -0.03209 -0.03428 0.09253 92 2S 0.08632 -0.21908 -0.03500 0.07658 0.28636 93 8 H 1S -0.14519 -0.08484 0.03209 -0.03428 0.09251 94 2S -0.08641 -0.21908 0.03502 0.07660 0.28632 95 9 H 1S 0.18925 0.01239 -0.04803 0.01329 -0.04256 96 2S 0.34496 -0.05681 -0.15006 0.05667 -0.13249 97 10 H 1S -0.18919 0.01239 0.04802 0.01330 -0.04256 98 2S -0.34485 -0.05682 0.15006 0.05668 -0.13249 99 11 O 1S -0.00868 -0.02741 -0.00312 0.00203 -0.01765 100 2S -0.13674 -0.48621 -0.05121 -0.01281 -0.42485 101 2PX -0.06315 0.03700 -0.02734 -0.00510 0.02259 102 2PY -0.03390 -0.09044 -0.01895 -0.02059 -0.15047 103 2PZ 0.03054 -0.03912 0.04093 0.02018 0.02749 104 3S 0.40220 1.49816 0.18672 -0.02795 1.14165 105 3PX -0.12105 -0.09815 -0.11933 -0.05413 -0.00769 106 3PY 0.19198 0.51205 0.01412 0.03182 0.45748 107 3PZ -0.10489 -0.00337 0.00588 -0.05059 0.12663 108 4XX -0.03311 -0.11890 -0.14175 0.04421 -0.06412 109 4YY 0.00997 -0.19483 0.03141 0.01084 -0.11765 110 4ZZ -0.08218 -0.05560 0.06827 -0.04878 -0.11155 111 4XY 0.10140 -0.07887 0.13000 0.03398 0.02745 112 4XZ 0.04841 0.05558 0.00944 0.03701 0.02561 113 4YZ -0.08450 0.09117 -0.13644 -0.03625 -0.10924 114 12 O 1S 0.00869 -0.02741 0.00312 0.00203 -0.01765 115 2S 0.13679 -0.48620 0.05124 -0.01281 -0.42485 116 2PX 0.06314 0.03700 0.02734 -0.00510 0.02260 117 2PY -0.03390 0.09043 -0.01896 0.02059 0.15047 118 2PZ -0.03054 -0.03913 -0.04093 0.02018 0.02748 119 3S -0.40238 1.49812 -0.18679 -0.02795 1.14164 120 3PX 0.12098 -0.09813 0.11934 -0.05413 -0.00769 121 3PY 0.19203 -0.51204 0.01415 -0.03182 -0.45748 122 3PZ 0.10488 -0.00336 -0.00588 -0.05059 0.12663 123 4XX 0.03310 -0.11890 0.14175 0.04422 -0.06413 124 4YY -0.00993 -0.19484 -0.03140 0.01084 -0.11765 125 4ZZ 0.08219 -0.05560 -0.06827 -0.04878 -0.11154 126 4XY 0.10135 0.07889 0.13001 -0.03398 -0.02744 127 4XZ -0.04841 0.05557 -0.00945 0.03701 0.02561 128 4YZ -0.08447 -0.09118 -0.13644 0.03625 0.10923 129 13 C 1S 0.00000 0.03748 0.00000 -0.01515 -0.04336 130 2S 0.00002 0.57486 -0.00001 -0.25308 -0.66125 131 2PX -0.00001 0.27217 0.00000 -0.08025 -0.14721 132 2PY -0.04434 0.00000 0.03510 0.00000 0.00000 133 2PZ 0.00000 -0.03524 0.00000 0.05132 -0.09552 134 3S -0.00008 -0.98701 0.00003 0.67217 1.45371 135 3PX 0.00005 -0.66611 0.00001 0.20168 0.23729 136 3PY -0.50066 0.00000 0.07522 -0.00001 0.00002 137 3PZ -0.00004 0.25645 0.00000 -0.00296 0.47676 138 4XX 0.00000 -0.05954 0.00000 0.02022 0.03630 139 4YY 0.00001 0.08394 0.00000 0.01252 -0.12396 140 4ZZ -0.00001 0.03405 0.00000 -0.04174 0.03434 141 4XY -0.29201 -0.00001 0.11807 0.00000 0.00001 142 4XZ -0.00001 -0.00773 0.00000 -0.03408 0.10116 143 4YZ 0.27122 0.00001 -0.07902 0.00000 -0.00001 144 14 H 1S 0.00000 0.18120 0.00000 -0.03173 -0.06840 145 2S 0.00001 0.23931 0.00000 -0.09718 -0.04962 146 15 H 1S 0.00002 0.10296 0.00000 -0.10393 -0.21404 147 2S 0.00003 -0.23913 0.00000 0.05454 -0.04803 148 16 C 1S 0.01266 0.01399 0.00052 0.01222 -0.00832 149 2S 0.07966 0.15196 -0.12558 0.09451 -0.09560 150 2PX -0.02321 -0.02725 -0.05622 0.02244 -0.02888 151 2PY 0.03906 0.13174 0.02252 0.00980 -0.16191 152 2PZ -0.05782 -0.01778 0.04137 0.00464 0.03105 153 3S -0.75193 -0.17682 1.05817 -0.50178 -0.21010 154 3PX 0.11014 -0.08820 0.08035 -0.02201 0.24755 155 3PY -0.63925 -0.19829 0.34367 0.03826 0.06655 156 3PZ 0.21918 -0.14456 0.36047 0.03050 -0.04069 157 4XX -0.20887 0.11791 0.08721 -0.04527 -0.07005 158 4YY 0.03375 -0.03364 -0.01859 -0.03771 0.11867 159 4ZZ 0.18401 -0.04577 -0.04767 0.07937 -0.05396 160 4XY 0.07205 -0.00192 0.01915 -0.01888 0.07287 161 4XZ -0.16922 0.05144 0.07602 -0.03274 0.00456 162 4YZ -0.14626 -0.03096 0.04654 -0.01845 0.01414 163 17 H 1S -0.02914 0.04095 0.01081 0.14009 -0.12136 164 2S -0.14716 -0.10513 0.01956 0.03704 0.13865 165 18 C 1S -0.00675 -0.00111 0.01794 0.00064 0.00327 166 2S -0.01110 -0.09109 0.35092 -0.00924 -0.01023 167 2PX 0.09267 -0.11167 -0.04372 0.04666 -0.05031 168 2PY 0.03416 0.02510 -0.01878 0.04202 -0.00036 169 2PZ 0.00039 -0.01539 -0.04871 -0.06917 0.02175 170 3S 0.79696 0.26489 -1.96218 0.19514 0.15887 171 3PX -0.26505 0.02578 0.31631 -0.00278 0.15598 172 3PY 0.79674 0.03533 -0.68452 -0.15725 -0.27679 173 3PZ -0.54915 -0.20561 1.03068 0.05773 0.23313 174 4XX 0.04677 0.01089 -0.06555 0.05415 -0.05994 175 4YY 0.01493 -0.02141 -0.00049 0.01901 0.05537 176 4ZZ -0.06590 0.02853 0.06938 -0.09533 0.03471 177 4XY 0.05342 0.11960 -0.00179 -0.13393 -0.09827 178 4XZ 0.15329 -0.16931 -0.08567 0.13734 0.01115 179 4YZ 0.00064 -0.01658 0.00538 0.13508 -0.05491 180 19 H 1S 0.14765 0.10334 -0.12455 0.02153 -0.21009 181 2S 0.30261 0.02906 -0.25907 -0.11501 -0.16594 182 20 C 1S -0.01266 0.01399 -0.00052 0.01222 -0.00832 183 2S -0.07972 0.15196 0.12558 0.09450 -0.09561 184 2PX 0.02319 -0.02724 0.05623 0.02244 -0.02889 185 2PY 0.03905 -0.13173 0.02252 -0.00980 0.16191 186 2PZ 0.05783 -0.01777 -0.04137 0.00464 0.03104 187 3S 0.75207 -0.17684 -1.05818 -0.50172 -0.21016 188 3PX -0.11015 -0.08820 -0.08035 -0.02202 0.24757 189 3PY -0.63922 0.19822 0.34367 -0.03828 -0.06651 190 3PZ -0.21913 -0.14456 -0.36048 0.03050 -0.04070 191 4XX 0.20889 0.11792 -0.08722 -0.04527 -0.07006 192 4YY -0.03376 -0.03364 0.01860 -0.03772 0.11867 193 4ZZ -0.18403 -0.04578 0.04768 0.07936 -0.05395 194 4XY 0.07203 0.00193 0.01916 0.01888 -0.07287 195 4XZ 0.16926 0.05144 -0.07603 -0.03274 0.00454 196 4YZ -0.14624 0.03096 0.04654 0.01844 -0.01412 197 21 H 1S 0.02912 0.04096 -0.01081 0.14009 -0.12136 198 2S 0.14712 -0.10510 -0.01955 0.03704 0.13863 199 22 C 1S 0.00675 -0.00111 -0.01794 0.00064 0.00327 200 2S 0.01107 -0.09111 -0.35092 -0.00922 -0.01027 201 2PX -0.09266 -0.11167 0.04372 0.04666 -0.05031 202 2PY 0.03418 -0.02510 -0.01878 -0.04202 0.00036 203 2PZ -0.00037 -0.01539 0.04871 -0.06917 0.02176 204 3S -0.79702 0.26490 1.96218 0.19503 0.15908 205 3PX 0.26505 0.02580 -0.31631 -0.00277 0.15596 206 3PY 0.79667 -0.03529 -0.68452 0.15731 0.27668 207 3PZ 0.54911 -0.20560 -1.03067 0.05777 0.23304 208 4XX -0.04679 0.01090 0.06555 0.05415 -0.05993 209 4YY -0.01493 -0.02141 0.00049 0.01901 0.05537 210 4ZZ 0.06592 0.02852 -0.06938 -0.09533 0.03470 211 4XY 0.05348 -0.11960 -0.00179 0.13393 0.09827 212 4XZ -0.15334 -0.16931 0.08569 0.13734 0.01117 213 4YZ 0.00064 0.01658 0.00538 -0.13509 0.05491 214 23 H 1S -0.14764 0.10333 0.12454 0.02152 -0.21007 215 2S -0.30257 0.02904 0.25907 -0.11503 -0.16591 141 142 143 144 145 V V V V V Eigenvalues -- 1.53992 1.54516 1.62901 1.64041 1.65242 1 1 C 1S 0.01924 -0.00603 -0.01465 -0.01380 0.01021 2 2S 0.29994 -0.00172 -0.18303 -0.04786 -0.13419 3 2PX -0.12867 -0.05889 0.04190 0.01891 0.02198 4 2PY -0.03172 -0.07475 0.04694 0.02612 0.15770 5 2PZ -0.06403 0.00335 0.13889 0.06311 -0.08606 6 3S -1.65817 0.49125 2.44213 0.77040 2.34807 7 3PX 0.21989 0.13916 0.42660 0.11905 1.50044 8 3PY 0.62980 0.57746 -0.46365 0.17717 -1.63506 9 3PZ 0.72254 -0.08946 -0.08152 0.27830 2.05054 10 4XX 0.12482 -0.13649 0.04924 0.14659 0.09605 11 4YY 0.00312 0.09886 0.01428 -0.01651 -0.02796 12 4ZZ -0.11939 -0.01452 -0.04112 -0.09938 0.03580 13 4XY 0.00957 0.08983 0.05699 -0.24663 -0.00439 14 4XZ 0.02759 0.03190 0.06153 -0.13396 -0.02998 15 4YZ -0.12016 0.02054 0.00877 0.08151 -0.09920 16 2 C 1S -0.01924 -0.00603 0.01465 -0.01380 -0.01021 17 2S -0.29998 -0.00178 0.18304 -0.04781 0.13417 18 2PX 0.12869 -0.05887 -0.04190 0.01890 -0.02198 19 2PY -0.03172 0.07475 0.04694 -0.02609 0.15771 20 2PZ 0.06402 0.00336 -0.13889 0.06312 0.08605 21 3S 1.65819 0.49157 -2.44219 0.76980 -2.34817 22 3PX -0.21991 0.13914 -0.42661 0.11873 -1.50042 23 3PY 0.62986 -0.57734 -0.46364 -0.17751 -1.63503 24 3PZ -0.72252 -0.08960 0.08151 0.27787 -2.05056 25 4XX -0.12481 -0.13651 -0.04924 0.14656 -0.09608 26 4YY -0.00314 0.09885 -0.01428 -0.01650 0.02795 27 4ZZ 0.11940 -0.01450 0.04112 -0.09938 -0.03576 28 4XY 0.00954 -0.08983 0.05698 0.24664 -0.00446 29 4XZ -0.02762 0.03190 -0.06152 -0.13395 0.03000 30 4YZ -0.12015 -0.02056 0.00878 -0.08153 -0.09918 31 3 C 1S 0.00942 -0.00186 -0.02796 0.00858 -0.03293 32 2S 0.15100 -0.23284 -0.51834 0.26651 -0.65018 33 2PX -0.02756 0.00542 0.13938 -0.04828 -0.00056 34 2PY 0.02619 -0.07296 -0.00855 0.08805 -0.00485 35 2PZ -0.03277 -0.05450 0.08660 -0.04808 -0.03233 36 3S -0.83168 0.28367 3.97457 -0.40764 4.57242 37 3PX -0.30460 0.34296 -0.06098 0.49843 0.21426 38 3PY -0.78717 0.58339 1.65184 -0.77243 2.34570 39 3PZ -0.15165 0.63324 0.22051 0.29972 0.94017 40 4XX 0.25540 0.08370 0.03303 -0.01863 0.16379 41 4YY -0.05925 -0.02653 0.04331 0.02783 -0.04012 42 4ZZ -0.21596 -0.07539 -0.01262 0.01836 -0.07661 43 4XY -0.08438 -0.03333 0.04215 0.09037 -0.05312 44 4XZ -0.02404 0.05812 -0.09252 -0.16017 0.03556 45 4YZ 0.12890 0.07211 0.06422 0.01361 0.07784 46 4 C 1S -0.01634 0.00776 0.05408 0.00262 0.04447 47 2S -0.34878 0.04300 1.00754 0.01112 0.71566 48 2PX 0.06371 0.01974 -0.15577 -0.01119 -0.04549 49 2PY -0.00275 0.03377 0.03932 0.01134 0.05141 50 2PZ 0.06405 0.04860 -0.10511 -0.00766 -0.01739 51 3S 2.02284 -0.64970 -6.24876 -0.14852 -5.22648 52 3PX -0.98429 0.21500 2.45786 -0.15011 1.95850 53 3PY 0.68299 0.10418 -2.60652 0.24105 -1.15341 54 3PZ -1.05235 0.21618 2.56413 -0.12992 2.09889 55 4XX -0.04910 -0.07031 -0.01707 0.10291 -0.04344 56 4YY -0.01223 0.02283 -0.03132 -0.07987 -0.01323 57 4ZZ 0.05820 0.03681 0.01336 0.01171 0.01432 58 4XY -0.04746 0.02583 0.02751 0.02468 0.01090 59 4XZ -0.03281 0.08008 0.05726 -0.08666 0.02108 60 4YZ 0.01202 -0.03244 0.02226 -0.00062 0.02781 61 5 C 1S 0.01634 0.00777 -0.05409 0.00261 -0.04447 62 2S 0.34878 0.04306 -1.00754 0.01092 -0.71566 63 2PX -0.06371 0.01973 0.15576 -0.01117 0.04549 64 2PY -0.00275 -0.03377 0.03933 -0.01133 0.05142 65 2PZ -0.06405 0.04859 0.10511 -0.00765 0.01738 66 3S -2.02279 -0.65007 6.24878 -0.14715 5.22652 67 3PX 0.98425 0.21518 -2.45783 -0.15062 -1.95847 68 3PY 0.68298 -0.10404 -2.60653 -0.24143 -1.15341 69 3PZ 1.05231 0.21637 -2.56412 -0.13046 -2.09887 70 4XX 0.04911 -0.07030 0.01707 0.10292 0.04341 71 4YY 0.01222 0.02284 0.03132 -0.07986 0.01324 72 4ZZ -0.05820 0.03680 -0.01336 0.01170 -0.01432 73 4XY -0.04745 -0.02584 0.02751 -0.02467 0.01091 74 4XZ 0.03280 0.08009 -0.05726 -0.08666 -0.02108 75 4YZ 0.01202 0.03244 0.02226 0.00062 0.02782 76 6 C 1S -0.00942 -0.00186 0.02796 0.00859 0.03293 77 2S -0.15097 -0.23287 0.51834 0.26666 0.65014 78 2PX 0.02756 0.00543 -0.13938 -0.04829 0.00058 79 2PY 0.02618 0.07296 -0.00855 -0.08805 -0.00484 80 2PZ 0.03278 -0.05450 -0.08660 -0.04808 0.03234 81 3S 0.83168 0.28382 -3.97457 -0.40875 -4.57236 82 3PX 0.30460 0.34301 0.06094 0.49839 -0.21439 83 3PY -0.78702 -0.58354 1.65180 0.77297 2.34564 84 3PZ 0.15160 0.63326 -0.22054 0.29953 -0.94024 85 4XX -0.25541 0.08365 -0.03303 -0.01866 -0.16378 86 4YY 0.05925 -0.02652 -0.04331 0.02783 0.04011 87 4ZZ 0.21598 -0.07535 0.01262 0.01838 0.07660 88 4XY -0.08439 0.03331 0.04215 -0.09038 -0.05310 89 4XZ 0.02402 0.05813 0.09252 -0.16017 -0.03554 90 4YZ 0.12892 -0.07209 0.06423 -0.01359 0.07784 91 7 H 1S 0.23783 -0.08121 -0.11448 -0.00486 0.42618 92 2S 0.33074 -0.11543 -0.22553 0.10909 0.86956 93 8 H 1S -0.23783 -0.08126 0.11448 -0.00494 -0.42617 94 2S -0.33074 -0.11549 0.22553 0.10892 -0.86957 95 9 H 1S 0.17137 -0.02836 -0.43188 0.09524 -0.18417 96 2S 0.39457 -0.05009 -1.03350 0.11884 -0.61124 97 10 H 1S -0.17136 -0.02839 0.43188 0.09530 0.18415 98 2S -0.39455 -0.05016 1.03349 0.11902 0.61123 99 11 O 1S 0.00583 -0.00803 0.01016 0.01637 -0.00368 100 2S 0.07374 0.01121 0.28168 0.20816 0.15484 101 2PX -0.04465 -0.05247 0.02777 0.03916 -0.06166 102 2PY 0.00330 0.04237 0.09709 0.01502 0.13527 103 2PZ 0.03430 0.02934 0.07472 0.01723 0.04165 104 3S -0.35667 0.26935 -0.53621 -0.79524 0.08109 105 3PX 0.07643 -0.00798 -0.03097 -0.06668 0.00283 106 3PY -0.04296 -0.00018 -0.39625 -0.19197 -0.26762 107 3PZ -0.01429 -0.10757 -0.13437 -0.08369 -0.16265 108 4XX 0.09950 0.01912 0.04154 0.05460 0.07172 109 4YY 0.06477 0.01751 0.07836 0.06672 0.05061 110 4ZZ -0.09918 -0.06438 0.05068 0.04652 -0.05657 111 4XY 0.09053 0.03834 0.01874 -0.04692 0.09249 112 4XZ 0.01742 0.09127 -0.07621 -0.13494 0.06631 113 4YZ -0.07008 0.00443 -0.03184 -0.04766 -0.00801 114 12 O 1S -0.00582 -0.00803 -0.01016 0.01637 0.00368 115 2S -0.07370 0.01119 -0.28170 0.20811 -0.15485 116 2PX 0.04466 -0.05246 -0.02777 0.03917 0.06164 117 2PY 0.00330 -0.04237 0.09709 -0.01499 0.13527 118 2PZ -0.03431 0.02934 -0.07472 0.01722 -0.04165 119 3S 0.35651 0.26943 0.53627 -0.79521 -0.08104 120 3PX -0.07643 -0.00799 0.03098 -0.06668 -0.00279 121 3PY -0.04292 0.00017 -0.39626 0.19189 -0.26763 122 3PZ 0.01429 -0.10757 0.13438 -0.08365 0.16266 123 4XX -0.09950 0.01910 -0.04155 0.05458 -0.07172 124 4YY -0.06475 0.01750 -0.07837 0.06670 -0.05061 125 4ZZ 0.09919 -0.06436 -0.05068 0.04653 0.05656 126 4XY 0.09054 -0.03832 0.01873 0.04695 0.09248 127 4XZ -0.01743 0.09126 0.07621 -0.13494 -0.06629 128 4YZ -0.07009 -0.00445 -0.03184 0.04765 -0.00803 129 13 C 1S 0.00001 -0.08845 0.00000 -0.04245 0.00001 130 2S 0.00013 -1.21827 0.00001 -0.55227 0.00006 131 2PX 0.00001 -0.05349 0.00000 0.06650 -0.00001 132 2PY 0.02907 0.00000 0.06354 0.00000 -0.00224 133 2PZ 0.00001 -0.06381 0.00000 0.09656 -0.00001 134 3S -0.00039 3.85000 -0.00003 2.27437 -0.00026 135 3PX -0.00007 0.67288 0.00000 0.12664 -0.00001 136 3PY 0.35475 0.00004 0.13208 -0.00003 -0.34468 137 3PZ -0.00004 0.44914 0.00002 0.03066 -0.00002 138 4XX 0.00001 -0.17863 0.00000 -0.12561 0.00001 139 4YY -0.00001 0.15690 -0.00001 0.27717 -0.00002 140 4ZZ 0.00001 -0.05407 0.00001 -0.16151 0.00001 141 4XY 0.32247 0.00003 0.02099 -0.00002 -0.20411 142 4XZ 0.00002 -0.19520 0.00001 -0.28690 0.00003 143 4YZ -0.25882 -0.00002 0.02528 -0.00001 -0.06568 144 14 H 1S 0.00004 -0.35113 0.00000 -0.08861 0.00001 145 2S 0.00002 -0.20446 0.00001 -0.27527 0.00002 146 15 H 1S 0.00002 -0.23445 0.00000 -0.17896 0.00002 147 2S 0.00002 -0.21182 0.00000 -0.19472 0.00002 148 16 C 1S -0.00600 0.01492 -0.00143 0.03920 0.01856 149 2S -0.05881 0.22966 0.11642 0.42286 0.42192 150 2PX 0.06962 0.05442 0.14574 0.06173 0.07837 151 2PY -0.04739 -0.11744 -0.03574 0.01717 -0.04551 152 2PZ 0.09489 -0.00260 0.05326 -0.03157 -0.13067 153 3S 1.27513 -1.47488 0.93905 -1.68238 -1.91314 154 3PX -0.04109 0.32826 -0.20789 0.15386 -0.26224 155 3PY 0.93608 -0.25205 0.98683 -0.04152 -0.61593 156 3PZ 0.17086 0.57043 0.33692 0.41152 0.05499 157 4XX 0.07592 -0.00971 -0.14825 0.16696 -0.04782 158 4YY -0.01497 -0.01843 0.01647 -0.20633 0.08108 159 4ZZ -0.06313 -0.01043 0.12229 0.07375 -0.08698 160 4XY -0.14046 -0.00644 -0.10686 0.03753 0.04821 161 4XZ -0.00971 0.09906 -0.14928 -0.00505 0.24600 162 4YZ 0.21887 0.09919 0.08712 -0.11264 -0.12400 163 17 H 1S 0.06135 0.10415 0.12927 0.40056 -0.03510 164 2S 0.24207 0.19241 0.31789 0.22722 0.02811 165 18 C 1S 0.02357 0.00625 0.01765 0.00232 -0.02549 166 2S 0.43112 0.04897 0.20789 -0.09493 -0.31113 167 2PX 0.03005 -0.07183 0.02158 -0.03150 -0.02459 168 2PY -0.03894 0.00200 -0.03361 0.03023 0.01831 169 2PZ -0.04332 0.09901 -0.06269 -0.02535 0.03500 170 3S -2.77758 -0.13554 -1.96374 0.14045 2.39904 171 3PX 0.36410 0.05174 0.60284 -0.05621 -0.33499 172 3PY -1.52426 -0.02590 -1.17878 0.05332 1.21695 173 3PZ 1.33760 0.06920 1.56480 -0.21369 -1.28498 174 4XX -0.04326 -0.15754 0.06944 0.15005 -0.09434 175 4YY -0.01755 -0.02576 -0.02645 -0.05634 0.01309 176 4ZZ 0.03522 0.19023 -0.07421 -0.07936 0.08513 177 4XY -0.00526 0.30436 0.02104 0.10687 -0.05587 178 4XZ 0.02648 -0.08837 0.22128 -0.03899 -0.18835 179 4YZ -0.01488 -0.17757 0.05205 0.10504 0.00640 180 19 H 1S -0.24214 -0.11518 -0.30090 0.19853 0.18854 181 2S -0.50160 -0.01041 -0.60819 0.01796 0.45574 182 20 C 1S 0.00600 0.01492 0.00143 0.03919 -0.01857 183 2S 0.05878 0.22967 -0.11644 0.42276 -0.42201 184 2PX -0.06963 0.05440 -0.14575 0.06171 -0.07838 185 2PY -0.04742 0.11743 -0.03574 -0.01718 -0.04551 186 2PZ -0.09489 -0.00262 -0.05325 -0.03154 0.13067 187 3S -1.27488 -1.47514 -0.93901 -1.68202 1.91352 188 3PX 0.04101 0.32826 0.20789 0.15392 0.26220 189 3PY 0.93604 0.25224 0.98686 0.04141 -0.61595 190 3PZ -0.17097 0.57040 -0.33696 0.41152 -0.05507 191 4XX -0.07592 -0.00972 0.14824 0.16698 0.04779 192 4YY 0.01497 -0.01843 -0.01646 -0.20635 -0.08105 193 4ZZ 0.06313 -0.01042 -0.12230 0.07376 0.08697 194 4XY -0.14045 0.00641 -0.10686 -0.03753 0.04822 195 4XZ 0.00969 0.09907 0.14928 -0.00509 -0.24600 196 4YZ 0.21888 -0.09914 0.08711 0.11262 -0.12402 197 21 H 1S -0.06135 0.10413 -0.12930 0.40056 0.03502 198 2S -0.24211 0.19236 -0.31791 0.22721 -0.02816 199 22 C 1S -0.02357 0.00625 -0.01765 0.00232 0.02549 200 2S -0.43112 0.04889 -0.20790 -0.09487 0.31115 201 2PX -0.03003 -0.07183 -0.02158 -0.03149 0.02460 202 2PY -0.03895 -0.00201 -0.03361 -0.03023 0.01832 203 2PZ 0.04329 0.09902 0.06269 -0.02536 -0.03499 204 3S 2.77762 -0.13499 1.96377 0.14000 -2.39908 205 3PX -0.36413 0.05167 -0.60285 -0.05616 0.33501 206 3PY -1.52428 0.02560 -1.17879 -0.05312 1.21696 207 3PZ -1.33761 0.06893 -1.56480 -0.21349 1.28501 208 4XX 0.04330 -0.15753 -0.06945 0.15007 0.09432 209 4YY 0.01755 -0.02575 0.02645 -0.05634 -0.01308 210 4ZZ -0.03526 0.19022 0.07422 -0.07937 -0.08511 211 4XY -0.00520 -0.30436 0.02105 -0.10689 -0.05585 212 4XZ -0.02645 -0.08838 -0.22128 -0.03897 0.18836 213 4YZ -0.01493 0.17757 0.05205 -0.10504 0.00642 214 23 H 1S 0.24218 -0.11513 0.30090 0.19851 -0.18858 215 2S 0.50160 -0.01031 0.60819 0.01790 -0.45574 146 147 148 149 150 V V V V V Eigenvalues -- 1.70177 1.77129 1.77527 1.79462 1.83237 1 1 C 1S -0.00832 0.01547 -0.02831 0.00805 0.00150 2 2S 0.11203 0.17995 -0.55121 0.01703 -0.07714 3 2PX 0.14786 -0.02483 -0.08812 -0.01930 -0.06908 4 2PY 0.17929 -0.01222 0.07708 -0.02660 0.01562 5 2PZ 0.10974 -0.00600 -0.14020 0.02816 0.00280 6 3S 0.45206 -0.55292 0.64271 -0.37490 0.13998 7 3PX -0.05400 0.01012 -0.17373 -0.08074 0.25959 8 3PY -0.05437 -0.10896 -0.13843 -0.10926 -0.13040 9 3PZ -0.09632 -0.03885 0.21415 -0.07798 0.25313 10 4XX -0.10035 -0.09976 0.01431 -0.12414 0.16974 11 4YY 0.12318 -0.00103 -0.02948 0.07758 -0.02758 12 4ZZ -0.04179 0.11600 -0.01461 0.00691 -0.12971 13 4XY -0.01928 -0.06087 -0.04593 0.01304 -0.00887 14 4XZ -0.12871 0.00684 -0.01086 0.02353 0.03385 15 4YZ -0.14122 0.08247 0.00845 0.15173 -0.06644 16 2 C 1S -0.00832 0.01547 0.02831 0.00805 -0.00150 17 2S 0.11204 0.17991 0.55123 0.01703 0.07715 18 2PX 0.14787 -0.02483 0.08811 -0.01930 0.06907 19 2PY -0.17928 0.01222 0.07709 0.02660 0.01562 20 2PZ 0.10975 -0.00601 0.14020 0.02816 -0.00280 21 3S 0.45198 -0.55289 -0.64280 -0.37489 -0.14004 22 3PX -0.05405 0.01009 0.17373 -0.08077 -0.25959 23 3PY 0.05431 0.10895 -0.13841 0.10926 -0.13038 24 3PZ -0.09639 -0.03885 -0.21415 -0.07799 -0.25313 25 4XX -0.10035 -0.09976 -0.01432 -0.12414 -0.16974 26 4YY 0.12318 -0.00103 0.02948 0.07758 0.02758 27 4ZZ -0.04180 0.11600 0.01462 0.00691 0.12971 28 4XY 0.01927 0.06087 -0.04593 -0.01304 -0.00887 29 4XZ -0.12871 0.00684 0.01086 0.02354 -0.03386 30 4YZ 0.14122 -0.08247 0.00844 -0.15173 -0.06646 31 3 C 1S 0.00580 -0.00430 0.02333 0.00271 -0.00611 32 2S -0.04506 -0.03605 0.51297 -0.18973 -0.17572 33 2PX -0.21218 -0.00307 -0.07286 0.06927 -0.02742 34 2PY -0.04490 -0.01755 0.17633 -0.01059 -0.00578 35 2PZ -0.19468 0.01022 -0.00235 -0.01114 -0.04970 36 3S 0.30223 0.06853 0.27378 0.59197 0.83866 37 3PX 0.87307 -0.22484 0.16221 -0.16750 0.24761 38 3PY -0.29795 0.12984 -2.77538 0.07974 0.06147 39 3PZ 0.75846 -0.12186 -0.29275 -0.18802 0.38342 40 4XX -0.08591 -0.11093 -0.06017 -0.01560 0.02379 41 4YY 0.02038 -0.01113 0.06290 -0.02774 -0.03634 42 4ZZ 0.05071 0.11450 -0.06884 0.06459 0.02208 43 4XY 0.18922 -0.04182 -0.03115 0.01041 0.04820 44 4XZ 0.06686 0.04231 -0.02893 0.06081 0.07853 45 4YZ 0.22399 0.01737 0.07013 -0.06706 0.07706 46 4 C 1S 0.00896 -0.00157 -0.00862 0.00024 0.00602 47 2S -0.22570 -0.06096 -0.15906 -0.01826 -0.10249 48 2PX 0.09795 0.02698 0.01563 -0.00102 0.02865 49 2PY 0.15491 -0.00250 0.11070 -0.00332 0.01339 50 2PZ 0.08435 0.01652 0.03109 -0.00454 0.10209 51 3S -0.42571 0.15816 2.00142 0.00978 -0.00591 52 3PX -0.16482 0.01349 -0.91205 0.02565 0.11295 53 3PY 0.21117 -0.06436 0.78035 -0.01996 0.50830 54 3PZ -0.10168 -0.07237 -0.98921 0.04036 -0.02316 55 4XX 0.06437 -0.15942 -0.02756 0.00361 -0.17478 56 4YY -0.12051 0.00213 -0.01117 0.04791 -0.01944 57 4ZZ 0.06241 0.15831 0.04731 -0.07195 0.18232 58 4XY 0.14759 -0.08575 0.01962 0.01416 0.00556 59 4XZ 0.20796 0.00788 -0.01721 0.01330 0.00942 60 4YZ 0.20731 0.07004 -0.01411 0.02154 0.02540 61 5 C 1S 0.00896 -0.00157 0.00862 0.00024 -0.00602 62 2S -0.22573 -0.06098 0.15905 -0.01826 0.10249 63 2PX 0.09795 0.02699 -0.01563 -0.00102 -0.02865 64 2PY -0.15491 0.00250 0.11070 0.00332 0.01339 65 2PZ 0.08435 0.01652 -0.03109 -0.00454 -0.10209 66 3S -0.42552 0.15835 -2.00139 0.00980 0.00592 67 3PX -0.16489 0.01341 0.91204 0.02564 -0.11297 68 3PY -0.21122 0.06429 0.78038 0.01997 0.50830 69 3PZ -0.10175 -0.07246 0.98921 0.04035 0.02316 70 4XX 0.06438 -0.15942 0.02755 0.00362 0.17479 71 4YY -0.12051 0.00213 0.01117 0.04791 0.01944 72 4ZZ 0.06241 0.15832 -0.04730 -0.07195 -0.18232 73 4XY -0.14759 0.08574 0.01963 -0.01416 0.00556 74 4XZ 0.20796 0.00787 0.01722 0.01329 -0.00942 75 4YZ -0.20731 -0.07004 -0.01411 -0.02153 0.02540 76 6 C 1S 0.00581 -0.00429 -0.02333 0.00271 0.00611 77 2S -0.04504 -0.03600 -0.51298 -0.18972 0.17571 78 2PX -0.21218 -0.00308 0.07286 0.06927 0.02742 79 2PY 0.04490 0.01754 0.17633 0.01058 -0.00577 80 2PZ -0.19468 0.01022 0.00235 -0.01114 0.04970 81 3S 0.30207 0.06851 -0.27376 0.59193 -0.83864 82 3PX 0.87306 -0.22483 -0.16222 -0.16750 -0.24763 83 3PY 0.29803 -0.12961 -2.77540 -0.07971 0.06148 84 3PZ 0.75843 -0.12190 0.29272 -0.18802 -0.38345 85 4XX -0.08592 -0.11094 0.06017 -0.01559 -0.02379 86 4YY 0.02037 -0.01113 -0.06290 -0.02774 0.03634 87 4ZZ 0.05071 0.11449 0.06885 0.06459 -0.02208 88 4XY -0.18922 0.04182 -0.03114 -0.01042 0.04820 89 4XZ 0.06687 0.04230 0.02893 0.06081 -0.07852 90 4YZ -0.22399 -0.01737 0.07013 0.06706 0.07706 91 7 H 1S -0.05959 0.05965 -0.03885 0.11916 0.05749 92 2S -0.05542 0.07701 0.06538 -0.05213 0.10371 93 8 H 1S -0.05960 0.05964 0.03886 0.11916 -0.05747 94 2S -0.05545 0.07700 -0.06537 -0.05214 -0.10369 95 9 H 1S 0.15873 -0.02146 0.15708 0.01961 0.04943 96 2S 0.06258 -0.00242 0.34059 -0.03158 0.07976 97 10 H 1S 0.15873 -0.02144 -0.15708 0.01962 -0.04943 98 2S 0.06260 -0.00239 -0.34059 -0.03158 -0.07976 99 11 O 1S 0.00763 -0.00247 0.05479 0.00073 0.00340 100 2S 0.14747 -0.06913 1.00723 0.13704 0.10607 101 2PX 0.12472 0.00019 -0.02316 -0.02354 0.01270 102 2PY 0.01693 -0.01954 0.08106 0.07153 0.04661 103 2PZ 0.13419 0.01674 0.02453 -0.02272 0.04154 104 3S -0.53929 0.19123 -3.58296 -0.28561 -0.30993 105 3PX -0.27271 0.02152 0.18098 0.06706 -0.04020 106 3PY -0.16763 0.06566 -0.97791 -0.13560 -0.12444 107 3PZ -0.30812 0.00402 -0.09110 0.04713 -0.11255 108 4XX 0.03930 -0.48765 0.11438 -0.14971 -0.47514 109 4YY 0.03410 -0.02330 0.36448 0.01386 0.01628 110 4ZZ 0.01519 0.47291 0.12143 0.19943 0.52350 111 4XY -0.12967 -0.06438 -0.01993 -0.07679 -0.14171 112 4XZ 0.02328 0.06528 -0.25410 0.02476 0.17019 113 4YZ -0.11757 -0.08885 -0.11340 0.06653 -0.09252 114 12 O 1S 0.00763 -0.00247 -0.05479 0.00073 -0.00340 115 2S 0.14746 -0.06905 -1.00724 0.13705 -0.10607 116 2PX 0.12472 0.00019 0.02315 -0.02354 -0.01270 117 2PY -0.01692 0.01954 0.08106 -0.07153 0.04661 118 2PZ 0.13419 0.01674 -0.02453 -0.02272 -0.04154 119 3S -0.53928 0.19095 3.58298 -0.28563 0.30991 120 3PX -0.27272 0.02153 -0.18096 0.06706 0.04020 121 3PY 0.16761 -0.06558 -0.97792 0.13560 -0.12443 122 3PZ -0.30811 0.00401 0.09110 0.04713 0.11255 123 4XX 0.03929 -0.48764 -0.11442 -0.14971 0.47515 124 4YY 0.03410 -0.02327 -0.36448 0.01387 -0.01628 125 4ZZ 0.01519 0.47292 -0.12140 0.19942 -0.52350 126 4XY 0.12967 0.06438 -0.01992 0.07679 -0.14170 127 4XZ 0.02328 0.06526 0.25412 0.02475 -0.17018 128 4YZ 0.11757 0.08886 -0.11339 -0.06653 -0.09252 129 13 C 1S 0.02271 -0.00264 0.00000 -0.00757 0.00000 130 2S 0.25703 0.03783 0.00000 -0.51678 0.00001 131 2PX 0.04744 -0.03821 0.00000 -0.11459 0.00000 132 2PY 0.00000 0.00000 -0.01371 0.00000 0.03381 133 2PZ -0.00725 0.05700 0.00000 -0.09241 0.00000 134 3S -0.49723 -0.42606 -0.00001 1.21651 -0.00002 135 3PX -0.23545 0.05672 0.00000 -0.08096 0.00000 136 3PY -0.00001 -0.00001 0.20888 0.00000 0.01062 137 3PZ 0.10435 -0.55458 -0.00001 1.00406 -0.00001 138 4XX 0.01635 -0.04389 0.00000 0.16617 0.00000 139 4YY -0.03236 0.03051 0.00000 -0.00380 0.00000 140 4ZZ 0.03319 0.02585 0.00000 -0.14203 0.00000 141 4XY -0.00001 0.00000 0.01388 0.00000 -0.02864 142 4XZ 0.07371 -0.20908 -0.00001 0.18637 -0.00001 143 4YZ 0.00000 -0.00001 0.23116 0.00000 -0.00018 144 14 H 1S 0.09620 -0.12352 0.00000 0.26754 0.00000 145 2S 0.05878 -0.17709 -0.00001 0.18832 0.00000 146 15 H 1S 0.03638 0.02389 0.00000 -0.26030 0.00000 147 2S -0.04302 0.16955 0.00001 -0.24437 0.00000 148 16 C 1S -0.00895 -0.00836 -0.03160 0.00763 -0.00500 149 2S -0.13065 -0.11375 -0.27033 -0.08450 -0.07926 150 2PX -0.04265 -0.02965 -0.05320 -0.02336 -0.00200 151 2PY 0.06133 -0.00970 -0.02957 -0.05150 -0.01842 152 2PZ 0.00749 0.00676 -0.00773 -0.01133 0.00531 153 3S 0.48996 0.57176 0.66831 -0.65433 0.37071 154 3PX 0.08186 0.07530 0.18259 0.21699 0.03471 155 3PY -0.32326 0.41314 0.47644 -0.40559 0.21174 156 3PZ -0.10496 0.19187 -0.00053 -0.28425 0.17687 157 4XX -0.02684 0.09105 0.08720 -0.20789 -0.01606 158 4YY 0.02675 -0.06118 -0.05759 0.01815 -0.02175 159 4ZZ 0.00376 -0.01214 -0.03782 0.16597 0.02299 160 4XY -0.01238 -0.06516 0.14719 0.17388 -0.03674 161 4XZ -0.00227 -0.06202 -0.02233 0.07716 0.03042 162 4YZ -0.02951 0.10351 0.02556 -0.29187 0.01883 163 17 H 1S -0.12945 0.05133 0.04331 0.00004 0.01578 164 2S -0.19682 0.13834 0.09708 -0.09019 0.07397 165 18 C 1S -0.00294 0.00375 -0.00806 -0.00128 0.00325 166 2S 0.00053 0.07170 -0.21891 -0.17640 0.08499 167 2PX 0.01559 0.02824 0.01731 -0.03647 0.01643 168 2PY -0.04806 0.05257 -0.04826 -0.12514 -0.00629 169 2PZ -0.00239 0.04418 0.06882 -0.05500 0.00600 170 3S -0.10732 -0.30936 0.34784 0.25070 -0.52508 171 3PX -0.06769 0.02656 -0.07285 -0.11526 0.02590 172 3PY 0.23429 -0.12472 0.26380 0.29670 -0.07587 173 3PZ -0.08217 0.23071 -0.17595 -0.31355 0.24871 174 4XX -0.06423 0.06909 0.02481 -0.16983 -0.04722 175 4YY 0.02534 -0.06641 -0.03761 0.19918 -0.00674 176 4ZZ 0.02139 0.01707 0.00298 -0.08840 0.02896 177 4XY -0.00015 -0.04700 -0.01949 0.14297 -0.00238 178 4XZ -0.03905 0.06707 -0.05231 -0.02857 -0.00271 179 4YZ -0.03229 -0.05911 -0.03780 0.21904 0.01021 180 19 H 1S 0.05453 -0.10015 0.05071 0.26717 -0.00766 181 2S 0.07779 -0.04600 0.04246 0.09211 -0.03478 182 20 C 1S -0.00895 -0.00837 0.03160 0.00763 0.00499 183 2S -0.13065 -0.11378 0.27033 -0.08451 0.07925 184 2PX -0.04266 -0.02966 0.05320 -0.02336 0.00200 185 2PY -0.06134 0.00970 -0.02957 0.05150 -0.01842 186 2PZ 0.00750 0.00676 0.00774 -0.01133 -0.00530 187 3S 0.49000 0.57185 -0.66827 -0.65432 -0.37067 188 3PX 0.08187 0.07532 -0.18257 0.21699 -0.03471 189 3PY 0.32326 -0.41319 0.47640 0.40558 0.21172 190 3PZ -0.10497 0.19187 0.00054 -0.28425 -0.17687 191 4XX -0.02684 0.09106 -0.08719 -0.20788 0.01606 192 4YY 0.02674 -0.06119 0.05759 0.01815 0.02175 193 4ZZ 0.00377 -0.01214 0.03782 0.16597 -0.02299 194 4XY 0.01238 0.06515 0.14719 -0.17389 -0.03674 195 4XZ -0.00228 -0.06203 0.02232 0.07715 -0.03043 196 4YZ 0.02950 -0.10351 0.02556 0.29187 0.01883 197 21 H 1S -0.12945 0.05133 -0.04330 0.00005 -0.01577 198 2S -0.19683 0.13835 -0.09706 -0.09019 -0.07397 199 22 C 1S -0.00294 0.00375 0.00806 -0.00128 -0.00325 200 2S 0.00054 0.07168 0.21892 -0.17640 -0.08498 201 2PX 0.01559 0.02824 -0.01731 -0.03647 -0.01643 202 2PY 0.04806 -0.05256 -0.04827 0.12514 -0.00629 203 2PZ -0.00240 0.04419 -0.06881 -0.05501 -0.00599 204 3S -0.10737 -0.30937 -0.34787 0.25070 0.52506 205 3PX -0.06768 0.02656 0.07286 -0.11526 -0.02590 206 3PY -0.23427 0.12471 0.26382 -0.29670 -0.07586 207 3PZ -0.08214 0.23072 0.17597 -0.31355 -0.24870 208 4XX -0.06423 0.06909 -0.02480 -0.16983 0.04723 209 4YY 0.02534 -0.06641 0.03760 0.19918 0.00674 210 4ZZ 0.02138 0.01707 -0.00299 -0.08840 -0.02896 211 4XY 0.00015 0.04700 -0.01949 -0.14298 -0.00238 212 4XZ -0.03904 0.06707 0.05232 -0.02856 0.00272 213 4YZ 0.03229 0.05912 -0.03780 -0.21904 0.01021 214 23 H 1S 0.05452 -0.10014 -0.05071 0.26717 0.00766 215 2S 0.07778 -0.04600 -0.04246 0.09211 0.03478 151 152 153 154 155 V V V V V Eigenvalues -- 1.84511 1.84720 1.85949 1.89006 1.90255 1 1 C 1S -0.04248 -0.01987 -0.01174 0.03112 -0.01827 2 2S -0.45194 -0.08470 0.17224 0.44479 -0.29060 3 2PX 0.07542 0.12776 0.06217 0.02028 0.09270 4 2PY -0.00175 0.04804 0.07252 -0.00374 -0.06768 5 2PZ -0.03206 0.07365 0.09492 0.08677 0.01120 6 3S 1.84031 1.17666 0.73920 -1.57276 1.12252 7 3PX -0.05275 0.52733 0.11485 -0.39893 -0.14594 8 3PY 0.73872 0.55231 -0.31492 -0.01211 0.49694 9 3PZ 0.00951 0.51528 0.18254 -0.66038 0.35224 10 4XX 0.08596 -0.00376 -0.01541 -0.15163 -0.00525 11 4YY -0.02128 0.02527 0.03408 0.16051 -0.13220 12 4ZZ -0.04417 0.02729 -0.03359 -0.03956 0.20504 13 4XY -0.03344 -0.02453 0.03090 0.09388 -0.02839 14 4XZ -0.00030 -0.19877 -0.10730 -0.24331 -0.18192 15 4YZ -0.25773 -0.04697 -0.05308 0.03027 0.23079 16 2 C 1S -0.04247 0.01988 0.01174 0.03112 -0.01827 17 2S -0.45192 0.08486 -0.17223 0.44480 -0.29059 18 2PX 0.07538 -0.12779 -0.06217 0.02028 0.09270 19 2PY 0.00176 0.04803 0.07252 0.00375 0.06768 20 2PZ -0.03208 -0.07364 -0.09492 0.08676 0.01120 21 3S 1.83995 -1.17728 -0.73923 -1.57287 1.12246 22 3PX -0.05289 -0.52729 -0.11484 -0.39897 -0.14594 23 3PY -0.73850 0.55257 -0.31489 0.01211 -0.49693 24 3PZ 0.00934 -0.51527 -0.18252 -0.66042 0.35222 25 4XX 0.08595 0.00374 0.01540 -0.15163 -0.00525 26 4YY -0.02129 -0.02527 -0.03408 0.16051 -0.13220 27 4ZZ -0.04417 -0.02727 0.03359 -0.03956 0.20505 28 4XY 0.03343 -0.02454 0.03090 -0.09389 0.02838 29 4XZ -0.00023 0.19878 0.10730 -0.24330 -0.18192 30 4YZ 0.25771 -0.04705 -0.05309 -0.03028 -0.23079 31 3 C 1S 0.00406 -0.01539 0.01204 -0.00939 0.01568 32 2S 0.24903 -0.33707 0.24115 -0.03878 0.08298 33 2PX -0.07033 0.06893 0.07414 0.01030 0.02456 34 2PY 0.07659 -0.05126 0.04537 0.01720 0.00973 35 2PZ 0.01142 0.05199 0.08801 0.05957 -0.02703 36 3S -0.99037 1.80291 -1.35357 -0.74679 -0.80428 37 3PX 0.51334 -0.83012 -1.05427 -0.83038 0.60038 38 3PY 0.23537 0.07230 0.28357 2.44844 0.16177 39 3PZ 0.79494 -0.79051 -0.94140 -0.42441 0.13156 40 4XX -0.00670 0.03159 0.11706 0.11173 0.00636 41 4YY -0.01177 0.00264 -0.03408 -0.14030 -0.01750 42 4ZZ 0.02891 -0.02660 -0.08158 0.08148 0.03718 43 4XY -0.03294 -0.17200 -0.18790 0.09165 0.13210 44 4XZ -0.21168 0.15826 -0.16316 -0.08485 -0.07335 45 4YZ 0.07330 -0.13088 -0.22946 -0.02033 -0.09236 46 4 C 1S 0.00190 -0.00452 -0.01768 -0.00213 0.00396 47 2S 0.14111 0.16864 0.13067 0.00024 0.06748 48 2PX -0.04357 -0.04965 -0.15125 0.07938 -0.05741 49 2PY -0.00457 -0.00090 -0.06677 0.09802 0.00653 50 2PZ -0.00512 -0.05509 -0.13087 0.07339 -0.01896 51 3S -0.48197 -0.03000 0.46475 0.51443 -0.22362 52 3PX 0.24519 0.09293 -0.27467 0.35218 -0.02231 53 3PY 0.12768 -0.06331 -0.78861 -0.99112 0.04339 54 3PZ 0.10267 0.07858 -0.48693 0.34360 0.09000 55 4XX -0.21371 -0.00570 -0.03598 0.03334 0.16102 56 4YY -0.00295 0.04453 0.03675 0.01936 0.00481 57 4ZZ 0.21643 -0.05350 0.03501 -0.03300 -0.16778 58 4XY -0.13022 -0.01209 -0.09417 -0.16962 0.13052 59 4XZ -0.10715 -0.04498 -0.21491 0.12009 -0.04618 60 4YZ -0.04154 0.01551 -0.02099 -0.12382 0.00627 61 5 C 1S 0.00190 0.00452 0.01768 -0.00213 0.00396 62 2S 0.14106 -0.16870 -0.13068 0.00023 0.06748 63 2PX -0.04354 0.04967 0.15125 0.07939 -0.05741 64 2PY 0.00457 -0.00090 -0.06677 -0.09802 -0.00653 65 2PZ -0.00510 0.05509 0.13087 0.07340 -0.01896 66 3S -0.48206 0.03017 -0.46473 0.51445 -0.22362 67 3PX 0.24519 -0.09303 0.27466 0.35216 -0.02231 68 3PY -0.12769 -0.06330 -0.78862 0.99110 -0.04339 69 3PZ 0.10269 -0.07863 0.48692 0.34360 0.09000 70 4XX -0.21370 0.00578 0.03599 0.03334 0.16102 71 4YY -0.00296 -0.04453 -0.03675 0.01936 0.00480 72 4ZZ 0.21644 0.05343 -0.03502 -0.03300 -0.16778 73 4XY 0.13020 -0.01214 -0.09418 0.16962 -0.13051 74 4XZ -0.10713 0.04501 0.21492 0.12009 -0.04618 75 4YZ 0.04155 0.01549 -0.02099 0.12382 -0.00627 76 6 C 1S 0.00407 0.01539 -0.01204 -0.00939 0.01568 77 2S 0.24913 0.33698 -0.24115 -0.03876 0.08298 78 2PX -0.07036 -0.06891 -0.07414 0.01029 0.02456 79 2PY -0.07661 -0.05123 0.04537 -0.01720 -0.00973 80 2PZ 0.01140 -0.05199 -0.08801 0.05957 -0.02703 81 3S -0.99091 -1.80253 1.35360 -0.74688 -0.80434 82 3PX 0.51366 0.82996 1.05427 -0.83030 0.60039 83 3PY -0.23539 0.07249 0.28364 -2.44843 -0.16177 84 3PZ 0.79524 0.79025 0.94138 -0.42437 0.13157 85 4XX -0.00672 -0.03159 -0.11706 0.11173 0.00637 86 4YY -0.01177 -0.00263 0.03408 -0.14030 -0.01751 87 4ZZ 0.02892 0.02659 0.08157 0.08148 0.03718 88 4XY 0.03287 -0.17201 -0.18790 -0.09166 -0.13210 89 4XZ -0.21173 -0.15818 0.16317 -0.08485 -0.07336 90 4YZ -0.07335 -0.13086 -0.22945 0.02032 0.09236 91 7 H 1S -0.39393 0.00860 0.07285 0.12938 0.02449 92 2S -0.28403 -0.00232 0.12324 -0.12194 -0.12763 93 8 H 1S -0.39393 -0.00846 -0.07284 0.12938 0.02449 94 2S -0.28402 0.00243 -0.12322 -0.12194 -0.12762 95 9 H 1S -0.04509 0.03607 0.03573 -0.43049 0.09717 96 2S -0.02917 -0.01091 -0.00223 -0.27702 -0.01983 97 10 H 1S -0.04511 -0.03604 -0.03572 -0.43050 0.09717 98 2S -0.02918 0.01093 0.00223 -0.27702 -0.01983 99 11 O 1S -0.00989 0.00914 -0.01221 -0.04687 -0.00452 100 2S -0.12562 0.18889 -0.20597 -0.76869 -0.08466 101 2PX -0.03053 -0.09225 -0.11477 0.02011 0.06629 102 2PY -0.01130 0.01860 -0.01430 0.03222 0.03930 103 2PZ 0.03811 -0.07937 -0.11877 0.01428 -0.04489 104 3S 0.60331 -0.68293 0.86181 3.11522 0.39775 105 3PX -0.05248 0.26905 0.26848 -0.08901 -0.19614 106 3PY 0.18248 -0.23784 0.27312 0.80541 0.08938 107 3PZ -0.13497 0.19943 0.32338 0.13401 0.07098 108 4XX -0.17617 0.00860 -0.26974 -0.07825 -0.00786 109 4YY 0.02639 0.04971 -0.03200 -0.25573 -0.08299 110 4ZZ 0.05914 0.04413 0.18206 -0.08669 0.06506 111 4XY 0.07378 0.08049 0.17847 0.06359 -0.15660 112 4XZ -0.17141 0.27357 -0.30868 -0.14713 -0.10983 113 4YZ -0.15103 0.15200 0.09091 -0.01922 0.08134 114 12 O 1S -0.00989 -0.00913 0.01221 -0.04687 -0.00452 115 2S -0.12569 -0.18882 0.20599 -0.76869 -0.08467 116 2PX -0.03049 0.09226 0.11477 0.02011 0.06629 117 2PY 0.01130 0.01859 -0.01430 -0.03222 -0.03930 118 2PZ 0.03814 0.07936 0.11877 0.01428 -0.04489 119 3S 0.60355 0.68260 -0.86189 3.11524 0.39778 120 3PX -0.05258 -0.26903 -0.26848 -0.08902 -0.19614 121 3PY -0.18256 -0.23775 0.27313 -0.80542 -0.08939 122 3PZ -0.13505 -0.19939 -0.32338 0.13400 0.07098 123 4XX -0.17614 -0.00854 0.26974 -0.07825 -0.00787 124 4YY 0.02637 -0.04971 0.03201 -0.25573 -0.08299 125 4ZZ 0.05910 -0.04414 -0.18205 -0.08669 0.06506 126 4XY -0.07376 0.08052 0.17848 -0.06358 0.15661 127 4XZ -0.17149 -0.27351 0.30868 -0.14714 -0.10983 128 4YZ 0.15108 0.15195 0.09090 0.01922 -0.08134 129 13 C 1S -0.00322 0.00000 0.00000 0.02007 0.01139 130 2S -0.16224 0.00004 0.00000 -0.14844 0.08633 131 2PX 0.07319 -0.00001 0.00000 -0.09914 0.04949 132 2PY -0.00004 -0.22820 0.10802 0.00000 0.00000 133 2PZ -0.09262 0.00002 0.00000 -0.07979 0.00560 134 3S 1.12211 -0.00021 -0.00001 -0.47946 0.21283 135 3PX 0.23944 -0.00005 0.00000 -0.12400 0.39689 136 3PY 0.00006 0.28653 0.00343 0.00000 0.00001 137 3PZ 0.49265 -0.00010 0.00000 -0.09085 -0.29009 138 4XX -0.04732 0.00001 0.00000 -0.08325 -0.22816 139 4YY -0.00974 0.00000 0.00000 0.10745 0.14307 140 4ZZ 0.04689 -0.00001 0.00000 -0.00734 0.08666 141 4XY 0.00003 0.18823 -0.06746 0.00000 0.00000 142 4XZ 0.29664 -0.00006 0.00000 -0.04387 0.08323 143 4YZ 0.00007 0.34033 -0.03919 0.00001 0.00001 144 14 H 1S -0.02748 0.00000 0.00000 0.05540 -0.16270 145 2S 0.11938 -0.00002 0.00000 -0.08161 -0.06336 146 15 H 1S 0.09039 -0.00002 0.00000 0.06545 0.28653 147 2S -0.19895 0.00004 0.00000 0.01899 0.05321 148 16 C 1S 0.02187 -0.01668 -0.00261 -0.02331 0.01709 149 2S 0.27499 0.20668 -0.06649 -0.21751 0.20495 150 2PX 0.04044 -0.02565 0.03477 -0.01677 0.03424 151 2PY -0.01704 0.08630 -0.06807 0.03831 -0.03738 152 2PZ -0.07470 -0.08266 0.04069 0.13303 -0.09717 153 3S -1.23525 -0.06138 0.34519 0.84954 -0.89385 154 3PX -0.26438 -0.00360 -0.07043 0.20454 -0.37236 155 3PY -0.57494 -0.13605 0.64133 0.28246 -0.25395 156 3PZ 0.07609 0.04424 0.10762 -0.06521 0.15810 157 4XX -0.14537 0.02508 -0.02223 0.05230 -0.16516 158 4YY 0.12482 -0.08043 0.03038 0.00895 0.12145 159 4ZZ -0.02198 0.01672 -0.01249 -0.02066 0.00268 160 4XY -0.03324 0.16336 -0.01227 -0.09099 -0.13729 161 4XZ 0.14486 -0.07253 0.01596 -0.02316 0.18244 162 4YZ -0.01586 0.23822 -0.05824 -0.13320 0.16013 163 17 H 1S -0.08259 -0.07700 0.10019 0.01385 -0.07129 164 2S -0.07440 0.00162 0.20928 0.05350 0.00438 165 18 C 1S -0.00964 0.00710 0.00298 0.00681 -0.02176 166 2S -0.13516 -0.14637 0.05494 -0.07762 -0.22759 167 2PX -0.05464 0.04464 -0.03611 -0.01572 0.02860 168 2PY -0.06368 -0.11640 0.03460 -0.05207 -0.02296 169 2PZ -0.02907 0.09627 -0.01001 0.04335 0.09567 170 3S 0.45421 0.19407 -0.77486 -0.25452 0.60977 171 3PX 0.05310 -0.03997 0.22584 0.05112 0.00905 172 3PY 0.14314 0.08701 -0.50442 0.07145 -0.06176 173 3PZ -0.32695 -0.10998 0.36143 0.21342 -0.30706 174 4XX -0.16612 -0.00560 0.02668 0.04020 -0.25835 175 4YY 0.03977 -0.09460 0.02311 0.15493 0.01311 176 4ZZ 0.10724 0.07285 -0.04168 -0.17585 0.18383 177 4XY 0.04672 0.02568 -0.00929 -0.02354 -0.06817 178 4XZ -0.09561 0.07495 -0.01933 -0.04186 0.13350 179 4YZ 0.04661 -0.07106 0.02666 -0.13526 -0.04644 180 19 H 1S 0.04251 -0.09078 -0.04886 -0.05832 -0.19392 181 2S 0.06666 0.06622 -0.15702 -0.00470 0.06743 182 20 C 1S 0.02188 0.01667 0.00261 -0.02331 0.01710 183 2S 0.27492 -0.20678 0.06648 -0.21751 0.20495 184 2PX 0.04045 0.02563 -0.03477 -0.01677 0.03425 185 2PY 0.01707 0.08629 -0.06807 -0.03831 0.03738 186 2PZ -0.07467 0.08269 -0.04069 0.13303 -0.09717 187 3S -1.23526 0.06183 -0.34518 0.84951 -0.89388 188 3PX -0.26439 0.00369 0.07044 0.20454 -0.37237 189 3PY 0.57490 -0.13626 0.64133 -0.28244 0.25394 190 3PZ 0.07606 -0.04427 -0.10763 -0.06523 0.15809 191 4XX -0.14538 -0.02502 0.02223 0.05230 -0.16516 192 4YY 0.12485 0.08038 -0.03039 0.00896 0.12145 193 4ZZ -0.02199 -0.01671 0.01249 -0.02066 0.00268 194 4XY 0.03330 0.16334 -0.01227 0.09099 0.13730 195 4XZ 0.14489 0.07247 -0.01596 -0.02316 0.18244 196 4YZ 0.01595 0.23821 -0.05825 0.13321 -0.16012 197 21 H 1S -0.08256 0.07703 -0.10019 0.01385 -0.07129 198 2S -0.07440 -0.00159 -0.20929 0.05349 0.00438 199 22 C 1S -0.00965 -0.00710 -0.00298 0.00681 -0.02176 200 2S -0.13510 0.14643 -0.05494 -0.07762 -0.22758 201 2PX -0.05466 -0.04462 0.03611 -0.01572 0.02860 202 2PY 0.06363 -0.11642 0.03460 0.05206 0.02296 203 2PZ -0.02911 -0.09626 0.01001 0.04335 0.09566 204 3S 0.45416 -0.19424 0.77485 -0.25448 0.60976 205 3PX 0.05311 0.03994 -0.22585 0.05112 0.00906 206 3PY -0.14312 0.08706 -0.50442 -0.07146 0.06178 207 3PZ -0.32692 0.11010 -0.36142 0.21340 -0.30706 208 4XX -0.16612 0.00566 -0.02667 0.04020 -0.25835 209 4YY 0.03980 0.09458 -0.02311 0.15494 0.01312 210 4ZZ 0.10721 -0.07288 0.04168 -0.17585 0.18383 211 4XY -0.04671 0.02570 -0.00929 0.02353 0.06817 212 4XZ -0.09564 -0.07492 0.01934 -0.04186 0.13350 213 4YZ -0.04664 -0.07106 0.02666 0.13526 0.04644 214 23 H 1S 0.04254 0.09077 0.04885 -0.05832 -0.19392 215 2S 0.06664 -0.06624 0.15702 -0.00470 0.06742 156 157 158 159 160 V V V V V Eigenvalues -- 1.91044 1.91981 1.92517 1.94246 1.98307 1 1 C 1S 0.02672 0.01793 -0.04819 0.00876 0.03813 2 2S 0.09040 0.40733 -0.25090 0.20638 0.60652 3 2PX -0.08454 0.02393 0.03072 -0.00002 -0.03313 4 2PY -0.03450 -0.04700 0.01898 0.07183 -0.06237 5 2PZ -0.02882 0.04392 0.10104 0.05636 0.08270 6 3S -0.57634 -0.89721 1.04890 -0.67306 -3.61866 7 3PX 0.00711 -0.21951 -0.44232 -0.17135 -0.61059 8 3PY 0.11312 -0.12417 0.50124 -0.18750 1.35726 9 3PZ -0.29953 -0.29449 -0.49173 -0.24736 -1.08609 10 4XX 0.08154 0.14817 -0.03190 -0.09429 -0.01875 11 4YY 0.10514 -0.14822 0.03066 0.13810 0.02473 12 4ZZ -0.16944 0.02360 -0.02764 -0.10805 -0.05606 13 4XY 0.06829 -0.06122 -0.09213 -0.02378 0.16624 14 4XZ -0.04508 -0.16975 -0.04712 -0.09696 -0.21957 15 4YZ -0.00751 -0.06771 0.05266 -0.01489 0.02465 16 2 C 1S 0.02672 0.01794 0.04819 0.00877 -0.03813 17 2S 0.09041 0.40735 0.25085 0.20640 -0.60656 18 2PX -0.08454 0.02393 -0.03071 -0.00002 0.03312 19 2PY 0.03450 0.04701 0.01898 -0.07183 -0.06239 20 2PZ -0.02883 0.04391 -0.10104 0.05636 -0.08273 21 3S -0.57641 -0.89734 -1.04875 -0.67320 3.61889 22 3PX 0.00713 -0.21948 0.44233 -0.17137 0.61054 23 3PY -0.11311 0.12421 0.50122 0.18744 1.35715 24 3PZ -0.29952 -0.29445 0.49178 -0.24740 1.08607 25 4XX 0.08154 0.14817 0.03190 -0.09429 0.01860 26 4YY 0.10514 -0.14822 -0.03067 0.13810 -0.02467 27 4ZZ -0.16944 0.02360 0.02764 -0.10805 0.05613 28 4XY -0.06829 0.06122 -0.09213 0.02377 0.16630 29 4XZ -0.04507 -0.16975 0.04714 -0.09697 0.21960 30 4YZ 0.00752 0.06771 0.05265 0.01489 0.02475 31 3 C 1S 0.01159 -0.01556 -0.00002 -0.00651 -0.00398 32 2S -0.19554 -0.13498 -0.03708 0.15512 0.09930 33 2PX -0.05189 -0.02094 0.04307 -0.03692 0.08127 34 2PY 0.00876 0.02700 0.05524 0.05361 -0.10911 35 2PZ -0.02636 0.02021 0.00318 0.04270 -0.02373 36 3S -0.18635 0.94946 0.62696 -0.42824 -0.44921 37 3PX -0.26746 -0.11301 -0.40097 -0.24805 0.43046 38 3PY 1.28198 0.46603 -1.78536 0.77681 -2.30788 39 3PZ 0.30528 0.08831 -0.62068 -0.31654 -0.07374 40 4XX 0.18812 0.04931 -0.00616 -0.00282 -0.19026 41 4YY -0.29607 -0.04855 -0.00659 -0.03357 0.41376 42 4ZZ 0.20354 0.08276 0.00103 0.03405 -0.30055 43 4XY -0.01345 0.01267 -0.11336 0.05713 -0.09203 44 4XZ 0.07525 -0.09860 0.08741 -0.02637 0.07491 45 4YZ -0.02124 0.01097 -0.07660 -0.00730 0.07788 46 4 C 1S 0.01944 0.01389 -0.01251 0.00021 -0.01473 47 2S -0.02990 0.21560 -0.11462 0.01767 -0.17232 48 2PX -0.02148 0.03250 0.00822 0.05265 -0.03017 49 2PY 0.00970 0.02932 0.00985 0.05944 -0.11444 50 2PZ -0.05143 0.01840 -0.03233 0.03035 -0.03333 51 3S -0.50421 -0.66361 2.06696 0.31854 2.25087 52 3PX 0.12319 0.13968 -0.72194 0.07731 -0.43206 53 3PY 0.06903 0.13695 0.98483 -0.43732 1.15870 54 3PZ 0.05079 0.13742 -0.72865 0.14790 -0.26618 55 4XX -0.12395 0.05296 0.01208 0.09994 0.12499 56 4YY 0.10373 -0.11417 0.02146 -0.06213 -0.03407 57 4ZZ 0.02075 0.09767 -0.01661 -0.00138 -0.07769 58 4XY 0.17117 -0.09874 0.02286 -0.11024 -0.12726 59 4XZ -0.37732 -0.12766 -0.08709 0.06298 0.23130 60 4YZ 0.28166 -0.05310 -0.01632 -0.12372 -0.02942 61 5 C 1S 0.01944 0.01389 0.01250 0.00021 0.01473 62 2S -0.02989 0.21560 0.11459 0.01766 0.17240 63 2PX -0.02148 0.03251 -0.00823 0.05265 0.03015 64 2PY -0.00970 -0.02932 0.00986 -0.05943 -0.11444 65 2PZ -0.05143 0.01840 0.03234 0.03035 0.03332 66 3S -0.50430 -0.66378 -2.06687 0.31858 -2.25117 67 3PX 0.12322 0.13974 0.72191 0.07730 0.43210 68 3PY -0.06899 -0.13688 0.98485 0.43730 1.15860 69 3PZ 0.05082 0.13748 0.72863 0.14789 0.26628 70 4XX -0.12395 0.05296 -0.01209 0.09994 -0.12493 71 4YY 0.10372 -0.11417 -0.02145 -0.06213 0.03407 72 4ZZ 0.02075 0.09767 0.01661 -0.00138 0.07761 73 4XY -0.17117 0.09874 0.02286 0.11024 -0.12729 74 4XZ -0.37731 -0.12765 0.08712 0.06299 -0.23138 75 4YZ -0.28167 0.05310 -0.01631 0.12372 -0.02941 76 6 C 1S 0.01159 -0.01556 0.00002 -0.00651 0.00398 77 2S -0.19553 -0.13497 0.03710 0.15512 -0.09925 78 2PX -0.05189 -0.02095 -0.04307 -0.03692 -0.08129 79 2PY -0.00876 -0.02699 0.05524 -0.05361 -0.10916 80 2PZ -0.02636 0.02021 -0.00318 0.04270 0.02370 81 3S -0.18638 0.94939 -0.62705 -0.42827 0.44918 82 3PX -0.26743 -0.11295 0.40103 -0.24802 -0.43020 83 3PY -1.28206 -0.46617 -1.78524 -0.77675 -2.30805 84 3PZ 0.30530 0.08838 0.62067 -0.31653 0.07387 85 4XX 0.18812 0.04931 0.00615 -0.00282 0.19029 86 4YY -0.29606 -0.04855 0.00661 -0.03356 -0.41378 87 4ZZ 0.20353 0.08276 -0.00105 0.03404 0.30055 88 4XY 0.01346 -0.01268 -0.11336 -0.05713 -0.09205 89 4XZ 0.07524 -0.09860 -0.08740 -0.02637 -0.07494 90 4YZ 0.02124 -0.01098 -0.07660 0.00729 0.07790 91 7 H 1S 0.07439 0.04388 -0.25761 0.06903 0.09764 92 2S -0.00307 0.02000 -0.37757 -0.00483 -0.27694 93 8 H 1S 0.07441 0.04391 0.25761 0.06904 -0.09779 94 2S -0.00306 0.02004 0.37756 -0.00484 0.27693 95 9 H 1S 0.41721 0.01143 0.17351 -0.24134 -0.14013 96 2S -0.04672 0.07489 0.33072 -0.09726 0.17700 97 10 H 1S 0.41721 0.01141 -0.17353 -0.24135 0.14019 98 2S -0.04673 0.07487 -0.33072 -0.09726 -0.17701 99 11 O 1S -0.02629 0.00115 0.03107 -0.01603 0.03123 100 2S -0.32478 -0.09713 0.55429 -0.28361 0.27949 101 2PX -0.06253 -0.00299 -0.05433 0.01546 0.04464 102 2PY 0.15584 0.00796 0.04892 -0.00475 -0.26806 103 2PZ 0.03737 0.02314 -0.04692 -0.00210 -0.03535 104 3S 1.58768 0.24186 -2.17312 1.10095 -1.97023 105 3PX 0.02572 0.00185 0.24920 -0.05571 0.02392 106 3PY 0.37919 0.05309 -0.57281 0.30262 -0.37590 107 3PZ -0.02593 -0.03532 0.09836 0.07680 -0.02919 108 4XX 0.03668 0.05853 0.14893 -0.01928 -0.07091 109 4YY -0.12642 -0.05285 0.16757 -0.08570 0.10812 110 4ZZ -0.04967 -0.00370 -0.00134 -0.04588 0.05937 111 4XY 0.10284 -0.02508 0.02552 0.04512 -0.06498 112 4XZ -0.03539 0.57453 0.25699 0.02494 0.01679 113 4YZ -0.08942 0.00151 0.10595 0.03989 0.07303 114 12 O 1S -0.02629 0.00115 -0.03107 -0.01603 -0.03123 115 2S -0.32480 -0.09718 -0.55426 -0.28360 -0.27953 116 2PX -0.06252 -0.00298 0.05433 0.01546 -0.04463 117 2PY -0.15584 -0.00795 0.04893 0.00476 -0.26808 118 2PZ 0.03737 0.02315 0.04692 -0.00210 0.03534 119 3S 1.58777 0.24205 2.17301 1.10090 1.97041 120 3PX 0.02571 0.00182 -0.24919 -0.05570 -0.02397 121 3PY -0.37922 -0.05314 -0.57278 -0.30262 -0.37594 122 3PZ -0.02593 -0.03533 -0.09836 0.07680 0.02921 123 4XX 0.03668 0.05852 -0.14894 -0.01928 0.07090 124 4YY -0.12643 -0.05287 -0.16756 -0.08570 -0.10815 125 4ZZ -0.04967 -0.00370 0.00134 -0.04588 -0.05935 126 4XY -0.10284 0.02509 0.02552 -0.04512 -0.06494 127 4XZ -0.03540 0.57451 -0.25705 0.02494 -0.01675 128 4YZ 0.08943 -0.00149 0.10595 -0.03989 0.07296 129 13 C 1S 0.01103 0.01708 0.00000 -0.01870 0.00000 130 2S 0.14356 0.04690 -0.00002 0.21432 -0.00004 131 2PX -0.01597 -0.01952 0.00000 0.07114 0.00000 132 2PY 0.00001 0.00002 0.41021 0.00001 -0.03747 133 2PZ -0.00295 -0.02640 0.00000 0.06608 0.00000 134 3S -0.87713 -0.46424 0.00010 0.00983 0.00017 135 3PX -0.16888 -0.04815 0.00001 -0.23271 0.00001 136 3PY 0.00001 0.00002 0.34366 0.00000 -0.08832 137 3PZ -0.48593 -0.05719 0.00005 -0.20096 0.00000 138 4XX -0.06069 -0.09249 0.00000 0.11227 0.00002 139 4YY -0.00086 0.13187 0.00000 -0.31795 -0.00004 140 4ZZ 0.05337 -0.05483 0.00000 0.20865 0.00003 141 4XY -0.00001 -0.00001 -0.26281 0.00000 -0.10459 142 4XZ -0.11964 0.08319 0.00001 -0.11745 -0.00002 143 4YZ 0.00000 0.00000 -0.12568 0.00000 -0.20741 144 14 H 1S -0.04814 0.10873 0.00000 -0.18052 -0.00004 145 2S -0.08994 -0.04255 0.00002 -0.04008 -0.00002 146 15 H 1S 0.08132 0.13687 -0.00001 -0.16433 -0.00003 147 2S 0.05100 -0.01162 -0.00001 -0.00318 0.00000 148 16 C 1S -0.01805 -0.00888 -0.04253 -0.00645 0.03348 149 2S -0.27866 -0.12811 -0.92341 -0.30590 0.18901 150 2PX -0.04095 0.02584 0.05666 -0.14800 0.04508 151 2PY -0.00443 -0.02640 -0.22158 -0.02646 -0.09091 152 2PZ -0.05686 0.01062 0.18097 -0.25757 0.07647 153 3S 0.99262 0.36113 3.12377 0.40904 -0.77232 154 3PX 0.10000 0.00066 0.18748 0.22787 -0.26598 155 3PY 0.42639 0.07308 2.21671 -0.08341 -0.32679 156 3PZ 0.18864 -0.04562 0.36113 0.20422 -0.32117 157 4XX -0.00641 -0.05269 -0.00333 -0.09023 -0.04197 158 4YY -0.07538 0.01627 -0.09481 -0.09380 0.22790 159 4ZZ 0.07749 0.03192 0.11157 0.14518 -0.14435 160 4XY -0.04566 -0.02129 -0.21384 0.10076 0.02685 161 4XZ -0.03475 0.07797 0.06876 -0.02869 -0.09614 162 4YZ 0.01753 -0.07332 -0.11975 0.22018 -0.07023 163 17 H 1S 0.03706 -0.02864 0.31917 -0.09103 -0.12018 164 2S 0.08917 0.00081 0.46654 -0.04944 -0.06188 165 18 C 1S 0.00258 -0.00117 0.01797 -0.00276 -0.00170 166 2S 0.00368 -0.08275 0.46904 -0.11785 0.14187 167 2PX 0.04163 0.00039 0.03362 -0.02600 -0.01047 168 2PY -0.00518 -0.03536 0.08198 0.11808 -0.05312 169 2PZ 0.05854 0.04873 -0.00065 0.03488 -0.14676 170 3S -0.50570 -0.09067 -3.62235 -0.05733 0.31864 171 3PX -0.04656 -0.02857 0.28816 -0.03361 0.02496 172 3PY 0.09769 0.14488 -1.34519 -0.01568 -0.11621 173 3PZ 0.09996 -0.07569 1.55970 -0.22908 -0.04519 174 4XX -0.06891 0.00485 -0.05699 -0.03874 0.03175 175 4YY 0.03053 0.00845 0.04197 -0.21252 0.01067 176 4ZZ 0.01150 -0.01106 -0.06027 0.26742 -0.01155 177 4XY 0.00427 0.03661 -0.03189 0.06732 0.05293 178 4XZ 0.02798 0.02672 0.01112 -0.02339 -0.02590 179 4YZ 0.06497 -0.01623 0.11229 0.34319 -0.11112 180 19 H 1S 0.03548 0.02395 -0.00238 0.21928 -0.04061 181 2S 0.09145 0.09361 -0.45714 0.00922 -0.06497 182 20 C 1S -0.01805 -0.00887 0.04254 -0.00645 -0.03348 183 2S -0.27861 -0.12802 0.92346 -0.30587 -0.18894 184 2PX -0.04096 0.02583 -0.05666 -0.14800 -0.04509 185 2PY 0.00442 0.02638 -0.22158 0.02645 -0.09094 186 2PZ -0.05687 0.01060 -0.18096 -0.25756 -0.07647 187 3S 0.99248 0.36083 -3.12397 0.40895 0.77216 188 3PX 0.10000 0.00065 -0.18749 0.22786 0.26601 189 3PY -0.42629 -0.07287 2.21677 0.08349 -0.32669 190 3PZ 0.18863 -0.04565 -0.36116 0.20419 0.32120 191 4XX -0.00641 -0.05269 0.00333 -0.09022 0.04199 192 4YY -0.07538 0.01628 0.09482 -0.09380 -0.22789 193 4ZZ 0.07748 0.03191 -0.11158 0.14517 0.14433 194 4XY 0.04565 0.02127 -0.21384 -0.10077 0.02686 195 4XZ -0.03476 0.07796 -0.06876 -0.02869 0.09610 196 4YZ -0.01754 0.07331 -0.11975 -0.22018 -0.07024 197 21 H 1S 0.03704 -0.02867 -0.31916 -0.09105 0.12018 198 2S 0.08915 0.00076 -0.46654 -0.04946 0.06187 199 22 C 1S 0.00258 -0.00117 -0.01798 -0.00276 0.00170 200 2S 0.00367 -0.08280 -0.46903 -0.11785 -0.14188 201 2PX 0.04163 0.00039 -0.03362 -0.02600 0.01046 202 2PY 0.00519 0.03537 0.08197 -0.11807 -0.05310 203 2PZ 0.05854 0.04873 0.00064 0.03487 0.14674 204 3S -0.50557 -0.09031 3.62242 -0.05725 -0.31859 205 3PX -0.04657 -0.02861 -0.28817 -0.03362 -0.02493 206 3PY -0.09773 -0.14501 -1.34518 0.01566 -0.11622 207 3PZ 0.09990 -0.07585 -1.55971 -0.22911 0.04519 208 4XX -0.06891 0.00486 0.05700 -0.03874 -0.03177 209 4YY 0.03053 0.00845 -0.04197 -0.21253 -0.01064 210 4ZZ 0.01151 -0.01106 0.06027 0.26741 0.01153 211 4XY -0.00427 -0.03661 -0.03189 -0.06732 0.05295 212 4XZ 0.02798 0.02672 -0.01112 -0.02339 0.02584 213 4YZ -0.06497 0.01624 0.11230 -0.34318 -0.11111 214 23 H 1S 0.03548 0.02395 0.00238 0.21928 0.04061 215 2S 0.09147 0.09365 0.45713 0.00922 0.06496 161 162 163 164 165 V V V V V Eigenvalues -- 1.98587 2.02451 2.04221 2.05221 2.08274 1 1 C 1S -0.01780 0.01562 0.00086 -0.00204 0.01221 2 2S -0.10912 0.27772 0.22866 0.38413 0.20714 3 2PX -0.03385 0.01399 0.01410 -0.05296 -0.01781 4 2PY 0.05577 0.11815 -0.05266 -0.23964 0.13055 5 2PZ -0.08048 0.06131 0.06323 0.05516 0.06508 6 3S 0.71858 -1.70720 0.24220 0.03619 -0.42123 7 3PX -0.07005 0.13250 0.01388 0.12513 0.49315 8 3PY 0.35137 1.00055 0.19658 0.66609 -0.07006 9 3PZ -0.02559 -0.84328 -0.04359 -0.01538 -0.06892 10 4XX -0.38004 0.12908 0.01206 0.15945 0.22548 11 4YY 0.11124 -0.04842 -0.13296 -0.36985 -0.10258 12 4ZZ 0.23579 -0.10210 0.11249 0.23255 -0.14058 13 4XY -0.12553 -0.17237 -0.03828 0.16916 -0.05956 14 4XZ 0.07734 0.23644 -0.09147 -0.07996 0.00929 15 4YZ -0.26228 -0.06537 -0.00969 0.13438 -0.12936 16 2 C 1S -0.01779 -0.01562 0.00086 -0.00204 -0.01221 17 2S -0.10890 -0.27771 0.22865 0.38412 -0.20715 18 2PX -0.03387 -0.01399 0.01410 -0.05296 0.01781 19 2PY -0.05575 0.11815 0.05266 0.23964 0.13055 20 2PZ -0.08045 -0.06131 0.06323 0.05516 -0.06508 21 3S 0.71729 1.70724 0.24225 0.03623 0.42123 22 3PX -0.07021 -0.13251 0.01388 0.12514 -0.49315 23 3PY -0.35185 1.00051 -0.19656 -0.66608 -0.07005 24 3PZ -0.02598 0.84328 -0.04358 -0.01538 0.06892 25 4XX -0.38004 -0.12908 0.01206 0.15945 -0.22549 26 4YY 0.11125 0.04841 -0.13296 -0.36985 0.10259 27 4ZZ 0.23576 0.10211 0.11248 0.23255 0.14057 28 4XY 0.12547 -0.17237 0.03828 -0.16914 -0.05956 29 4XZ 0.07726 -0.23644 -0.09147 -0.07995 -0.00928 30 4YZ 0.26227 -0.06537 0.00969 -0.13438 -0.12936 31 3 C 1S -0.00808 0.01538 -0.00646 0.01441 -0.00525 32 2S 0.12599 0.11376 0.13358 -0.18082 -0.11307 33 2PX -0.06126 0.03922 0.03751 0.03432 0.04114 34 2PY 0.11470 0.14940 0.14254 -0.19772 -0.01368 35 2PZ -0.09432 -0.00685 0.05915 -0.02309 -0.06963 36 3S -0.04884 -0.39843 0.15078 -0.64588 0.16760 37 3PX 0.66141 0.01132 0.42803 0.02913 0.28605 38 3PY 0.36073 -1.02612 -0.36648 0.89733 0.22142 39 3PZ 0.41961 -0.58232 0.42351 0.27449 -0.29709 40 4XX 0.06755 0.06188 -0.08842 0.00224 0.04381 41 4YY -0.03438 -0.25949 -0.07493 0.05050 -0.00858 42 4ZZ -0.00521 0.18468 0.15425 -0.01303 -0.06780 43 4XY 0.07083 0.04135 0.00007 -0.03198 0.03545 44 4XZ -0.07918 0.06179 0.04833 -0.08513 0.20811 45 4YZ -0.06177 -0.08930 0.00109 0.00045 0.01180 46 4 C 1S 0.01134 -0.00201 -0.01533 0.00411 0.00034 47 2S 0.21991 0.03675 -0.40616 0.07503 -0.12302 48 2PX -0.06447 -0.00283 0.10746 -0.03268 0.06268 49 2PY -0.01955 0.08679 -0.22305 0.07883 0.06674 50 2PZ -0.03692 -0.00648 0.10153 -0.03416 0.06060 51 3S -0.86142 0.84652 -0.17120 -0.13254 0.06180 52 3PX 0.13266 -0.54232 -0.08743 0.11682 -0.31970 53 3PY 0.32077 0.20570 0.67700 -0.28584 -0.06219 54 3PZ 0.26493 -0.41223 -0.09188 0.07738 0.15728 55 4XX 0.13744 0.12114 -0.33443 0.03730 0.32537 56 4YY 0.02866 0.04425 0.44932 -0.10075 0.03559 57 4ZZ -0.20264 -0.16393 -0.24663 0.11052 -0.34775 58 4XY 0.07480 0.04402 -0.15390 0.09965 -0.06185 59 4XZ -0.22384 -0.09690 0.01108 0.02463 0.13076 60 4YZ -0.03007 0.08192 -0.11387 0.14737 0.12865 61 5 C 1S 0.01134 0.00201 -0.01533 0.00411 -0.00034 62 2S 0.21986 -0.03674 -0.40615 0.07504 0.12302 63 2PX -0.06448 0.00282 0.10745 -0.03268 -0.06268 64 2PY 0.01959 0.08679 0.22305 -0.07883 0.06673 65 2PZ -0.03693 0.00648 0.10153 -0.03416 -0.06060 66 3S -0.86069 -0.84655 -0.17122 -0.13254 -0.06180 67 3PX 0.13253 0.54232 -0.08741 0.11681 0.31970 68 3PY -0.32113 0.20570 -0.67700 0.28585 -0.06219 69 3PZ 0.26486 0.41224 -0.09187 0.07737 -0.15728 70 4XX 0.13749 -0.12114 -0.33444 0.03730 -0.32537 71 4YY 0.02864 -0.04425 0.44932 -0.10075 -0.03559 72 4ZZ -0.20267 0.16393 -0.24663 0.11053 0.34775 73 4XY -0.07475 0.04401 0.15389 -0.09965 -0.06185 74 4XZ -0.22375 0.09689 0.01108 0.02462 -0.13076 75 4YZ 0.03007 0.08192 0.11387 -0.14737 0.12865 76 6 C 1S -0.00808 -0.01538 -0.00646 0.01441 0.00524 77 2S 0.12602 -0.11376 0.13358 -0.18082 0.11307 78 2PX -0.06123 -0.03923 0.03751 0.03432 -0.04114 79 2PY -0.11466 0.14940 -0.14253 0.19771 -0.01368 80 2PZ -0.09433 0.00685 0.05914 -0.02309 0.06963 81 3S -0.04899 0.39841 0.15079 -0.64588 -0.16758 82 3PX 0.66157 -0.01128 0.42803 0.02913 -0.28605 83 3PY -0.35996 -1.02615 0.36647 -0.89733 0.22144 84 3PZ 0.41956 0.58235 0.42352 0.27449 0.29709 85 4XX 0.06748 -0.06188 -0.08842 0.00224 -0.04382 86 4YY -0.03423 0.25949 -0.07493 0.05048 0.00859 87 4ZZ -0.00531 -0.18468 0.15425 -0.01302 0.06780 88 4XY -0.07080 0.04134 -0.00008 0.03198 0.03545 89 4XZ -0.07915 -0.06179 0.04833 -0.08514 -0.20811 90 4YZ 0.06174 -0.08930 -0.00109 -0.00044 0.01179 91 7 H 1S -0.41607 -0.19663 -0.04298 0.02474 0.07902 92 2S -0.01622 -0.15404 -0.03803 -0.05921 0.08996 93 8 H 1S -0.41603 0.19661 -0.04298 0.02473 -0.07902 94 2S -0.01631 0.15403 -0.03803 -0.05921 -0.08995 95 9 H 1S 0.18526 0.17629 0.00170 0.03867 -0.01531 96 2S -0.01285 0.14906 0.16398 -0.09458 0.01317 97 10 H 1S 0.18521 -0.17628 0.00170 0.03868 0.01531 98 2S -0.01280 -0.14906 0.16398 -0.09458 -0.01317 99 11 O 1S -0.00629 0.00747 0.00080 -0.00920 -0.00221 100 2S -0.07592 0.39186 0.15196 -0.30744 0.02896 101 2PX 0.02557 -0.02214 0.03004 0.00783 0.04478 102 2PY 0.04602 0.21128 0.07000 -0.07172 0.03707 103 2PZ -0.04768 -0.02831 0.05948 0.00740 -0.05580 104 3S 0.38857 -1.02285 -0.41279 1.09009 0.01765 105 3PX -0.15992 0.03382 -0.10340 -0.05858 -0.13799 106 3PY 0.07202 -0.31331 -0.12165 0.29625 -0.05578 107 3PZ 0.04526 0.12028 -0.16430 -0.01908 0.16128 108 4XX -0.03425 0.05683 0.14250 -0.00176 -0.01654 109 4YY -0.06970 0.07207 0.04285 -0.12015 -0.05028 110 4ZZ 0.07119 0.08259 -0.12862 -0.00463 0.06755 111 4XY -0.11484 -0.06596 -0.22926 -0.04683 -0.14075 112 4XZ 0.09555 0.00948 0.03636 -0.07325 -0.23936 113 4YZ 0.15567 0.18726 -0.22820 -0.07216 0.19932 114 12 O 1S -0.00628 -0.00747 0.00080 -0.00920 0.00221 115 2S -0.07583 -0.39187 0.15195 -0.30742 -0.02896 116 2PX 0.02559 0.02214 0.03004 0.00783 -0.04478 117 2PY -0.04592 0.21129 -0.07000 0.07171 0.03707 118 2PZ -0.04769 0.02831 0.05948 0.00740 0.05580 119 3S 0.38792 1.02288 -0.41277 1.09008 -0.01767 120 3PX -0.15992 -0.03382 -0.10341 -0.05857 0.13799 121 3PY -0.07191 -0.31332 0.12164 -0.29625 -0.05577 122 3PZ 0.04526 -0.12028 -0.16430 -0.01909 -0.16128 123 4XX -0.03428 -0.05683 0.14249 -0.00175 0.01655 124 4YY -0.06966 -0.07208 0.04285 -0.12015 0.05028 125 4ZZ 0.07121 -0.08259 -0.12862 -0.00463 -0.06755 126 4XY 0.11486 -0.06595 0.22926 0.04683 -0.14076 127 4XZ 0.09555 -0.00948 0.03636 -0.07325 0.23936 128 4YZ -0.15570 0.18726 0.22820 0.07217 0.19932 129 13 C 1S -0.01643 0.00000 -0.01133 -0.06779 0.00000 130 2S -0.27759 -0.00001 0.04317 -0.72093 0.00002 131 2PX -0.01193 0.00000 0.03748 -0.05014 0.00000 132 2PY 0.00001 -0.16681 0.00000 0.00000 0.02069 133 2PZ -0.01946 0.00000 0.04918 -0.04355 0.00000 134 3S 1.15464 0.00002 0.41397 2.90692 -0.00004 135 3PX 0.08321 0.00002 -0.03840 0.79612 -0.00002 136 3PY 0.00002 -0.08538 0.00000 0.00000 -0.15648 137 3PZ 0.11134 -0.00001 -0.01469 0.65388 -0.00001 138 4XX 0.10734 0.00000 0.02848 0.16197 -0.00001 139 4YY -0.21506 -0.00001 -0.07119 -0.32282 0.00000 140 4ZZ 0.17340 0.00001 0.03852 0.17154 0.00000 141 4XY 0.00002 0.00515 0.00000 0.00000 0.08702 142 4XZ -0.12391 0.00000 -0.12684 0.07813 -0.00001 143 4YZ 0.00004 -0.27067 0.00000 0.00000 0.02958 144 14 H 1S -0.19990 -0.00001 -0.07204 -0.32371 0.00000 145 2S -0.10879 -0.00001 -0.02968 0.07937 0.00000 146 15 H 1S -0.20624 0.00000 -0.10498 -0.24956 0.00000 147 2S -0.03623 0.00000 -0.01686 -0.00945 0.00000 148 16 C 1S 0.00498 0.04552 0.00298 0.01097 0.01046 149 2S 0.23916 0.39322 0.10381 0.31484 0.15175 150 2PX -0.03251 0.03861 -0.01756 0.01501 -0.03242 151 2PY 0.08901 -0.02499 0.04122 0.03868 0.07052 152 2PZ 0.02878 0.05123 -0.02256 0.00342 -0.08035 153 3S -0.60134 -1.50549 -0.30803 -1.31622 -0.74273 154 3PX 0.04911 -0.35917 0.06083 0.10940 -0.01637 155 3PY -0.29850 -1.16238 -0.22256 -0.79349 -0.01092 156 3PZ 0.08250 -0.58928 0.02450 0.20418 0.18673 157 4XX 0.06166 -0.10077 -0.02696 0.00733 0.04059 158 4YY 0.01194 0.35123 -0.02931 0.02715 -0.27093 159 4ZZ -0.06581 -0.20130 0.05486 -0.06168 0.19302 160 4XY -0.01797 0.10878 0.08143 0.07822 -0.07431 161 4XZ -0.12303 -0.12264 -0.07225 -0.13027 0.12743 162 4YZ 0.00269 -0.03864 -0.01169 -0.01967 0.00227 163 17 H 1S 0.01922 -0.33779 0.00706 -0.04717 0.26312 164 2S -0.03836 -0.30802 -0.06482 -0.11645 0.02033 165 18 C 1S -0.00046 -0.01119 -0.00725 0.00883 -0.00410 166 2S -0.01634 0.06859 -0.05068 0.17352 -0.11893 167 2PX -0.03919 -0.02225 0.02725 -0.05995 0.02192 168 2PY -0.03963 -0.06874 -0.02832 0.00661 0.11904 169 2PZ -0.06488 -0.17383 0.02513 -0.13320 0.10344 170 3S 0.14802 1.43054 0.10861 -0.02705 0.31370 171 3PX 0.08975 -0.02168 -0.05797 0.08179 -0.12113 172 3PY 0.03666 0.28048 0.11504 0.12722 -0.00133 173 3PZ 0.01487 -0.45500 -0.17188 -0.06503 -0.35924 174 4XX -0.03023 0.00924 -0.08938 0.07616 -0.06398 175 4YY 0.09826 0.02415 0.01138 -0.05934 0.03030 176 4ZZ -0.06648 0.00317 0.04704 0.01444 0.00936 177 4XY -0.03978 0.10922 -0.02565 0.04233 0.00645 178 4XZ -0.17166 -0.00250 -0.04410 -0.31089 0.03849 179 4YZ -0.02958 -0.17968 -0.01694 0.05553 0.16497 180 19 H 1S 0.00112 -0.09826 0.00607 0.15478 0.10484 181 2S -0.04361 0.09553 0.08236 -0.00824 0.03396 182 20 C 1S 0.00499 -0.04552 0.00298 0.01097 -0.01046 183 2S 0.23926 -0.39321 0.10380 0.31483 -0.15175 184 2PX -0.03250 -0.03861 -0.01756 0.01501 0.03242 185 2PY -0.08898 -0.02500 -0.04122 -0.03868 0.07052 186 2PZ 0.02881 -0.05123 -0.02256 0.00342 0.08035 187 3S -0.60172 1.50547 -0.30798 -1.31621 0.74275 188 3PX 0.04900 0.35916 0.06084 0.10940 0.01637 189 3PY 0.29870 -1.16236 0.22254 0.79350 -0.01094 190 3PZ 0.08237 0.58931 0.02451 0.20417 -0.18675 191 4XX 0.06164 0.10077 -0.02696 0.00734 -0.04059 192 4YY 0.01203 -0.35123 -0.02931 0.02716 0.27093 193 4ZZ -0.06587 0.20129 0.05486 -0.06168 -0.19301 194 4XY 0.01795 0.10879 -0.08143 -0.07822 -0.07431 195 4XZ -0.12307 0.12264 -0.07224 -0.13027 -0.12744 196 4YZ -0.00267 -0.03864 0.01168 0.01967 0.00228 197 21 H 1S 0.01916 0.33779 0.00706 -0.04717 -0.26312 198 2S -0.03840 0.30802 -0.06481 -0.11646 -0.02033 199 22 C 1S -0.00047 0.01118 -0.00725 0.00883 0.00410 200 2S -0.01629 -0.06860 -0.05068 0.17352 0.11892 201 2PX -0.03920 0.02225 0.02725 -0.05995 -0.02191 202 2PY 0.03966 -0.06873 0.02832 -0.00660 0.11905 203 2PZ -0.06494 0.17383 0.02513 -0.13320 -0.10343 204 3S 0.14823 -1.43054 0.10855 -0.02705 -0.31369 205 3PX 0.08977 0.02169 -0.05797 0.08179 0.12112 206 3PY -0.03665 0.28046 -0.11503 -0.12722 -0.00134 207 3PZ 0.01482 0.45499 -0.17185 -0.06502 0.35923 208 4XX -0.03021 -0.00925 -0.08938 0.07616 0.06397 209 4YY 0.09826 -0.02414 0.01138 -0.05934 -0.03028 210 4ZZ -0.06648 -0.00316 0.04704 0.01445 -0.00936 211 4XY 0.03976 0.10922 0.02565 -0.04233 0.00645 212 4XZ -0.17167 0.00249 -0.04410 -0.31089 -0.03848 213 4YZ 0.02963 -0.17969 0.01694 -0.05553 0.16498 214 23 H 1S 0.00109 0.09828 0.00606 0.15478 -0.10485 215 2S -0.04363 -0.09553 0.08236 -0.00824 -0.03395 166 167 168 169 170 V V V V V Eigenvalues -- 2.09859 2.10508 2.11488 2.13663 2.20201 1 1 C 1S -0.00503 0.00186 0.00286 -0.00662 0.01483 2 2S -0.07617 -0.06188 -0.36544 -0.40059 0.45221 3 2PX 0.05173 -0.01237 -0.03329 -0.13725 0.01596 4 2PY -0.02958 -0.03760 0.17307 -0.12412 -0.12842 5 2PZ -0.02650 -0.04096 -0.07981 -0.13207 0.04173 6 3S 0.23174 -0.30222 0.05281 0.83056 0.01471 7 3PX -0.27500 -0.03922 0.19433 0.32882 0.22593 8 3PY 0.32196 0.33516 -0.67748 -0.46277 0.74539 9 3PZ -0.18778 0.05730 0.58686 0.50791 -0.40827 10 4XX -0.10265 -0.05449 0.02404 0.10956 -0.11571 11 4YY 0.00440 0.03792 0.16805 0.09343 -0.06649 12 4ZZ 0.10819 0.02004 -0.15548 -0.14051 0.14050 13 4XY 0.03159 0.07599 -0.04175 0.17956 0.04043 14 4XZ -0.03038 -0.03313 -0.26527 0.10342 0.24823 15 4YZ -0.08940 -0.02552 0.11298 -0.07616 -0.05710 16 2 C 1S -0.00503 -0.00186 0.00286 0.00662 0.01481 17 2S -0.07618 0.06192 -0.36539 0.40060 0.45179 18 2PX 0.05173 0.01239 -0.03328 0.13725 0.01603 19 2PY 0.02959 -0.03756 -0.17308 -0.12411 0.12844 20 2PZ -0.02650 0.04097 -0.07980 0.13208 0.04172 21 3S 0.23172 0.30223 0.05264 -0.83055 0.01735 22 3PX -0.27500 0.03911 0.19424 -0.32880 0.22610 23 3PY -0.32201 0.33499 0.67746 -0.46280 -0.74437 24 3PZ -0.18776 -0.05745 0.58677 -0.50792 -0.40747 25 4XX -0.10267 0.05446 0.02403 -0.10956 -0.11552 26 4YY 0.00440 -0.03795 0.16804 -0.09344 -0.06648 27 4ZZ 0.10821 -0.02000 -0.15547 0.14052 0.14037 28 4XY -0.03160 0.07598 0.04176 0.17956 -0.04038 29 4XZ -0.03040 0.03317 -0.26527 -0.10340 0.24808 30 4YZ 0.08940 -0.02548 -0.11299 -0.07616 0.05710 31 3 C 1S 0.00339 0.00407 0.00212 0.00206 -0.01277 32 2S 0.04078 0.01281 0.10472 0.35649 -0.11151 33 2PX -0.05171 0.04265 0.01202 -0.02939 0.05194 34 2PY -0.02038 0.05902 0.13387 0.15653 -0.06489 35 2PZ -0.02898 0.02308 0.00036 -0.01977 -0.00360 36 3S -0.55412 0.49276 0.17559 0.33620 0.20012 37 3PX 0.18761 -0.05783 -0.04249 0.37731 0.54382 38 3PY 1.05772 -0.60189 -1.04538 -0.20431 0.70639 39 3PZ 0.14457 0.00563 -0.22282 0.03404 0.79345 40 4XX 0.01220 0.04247 0.15667 0.07495 0.03834 41 4YY -0.04840 -0.00189 -0.12436 0.02923 0.07030 42 4ZZ 0.06297 -0.01575 -0.01762 -0.11408 -0.12257 43 4XY 0.02257 -0.01713 0.03796 0.07318 -0.00087 44 4XZ -0.01776 -0.10707 0.07519 -0.35492 0.04650 45 4YZ -0.02459 -0.01236 0.01358 -0.03258 0.05576 46 4 C 1S 0.00399 0.00252 0.00188 0.00845 0.01058 47 2S 0.00049 0.11734 -0.14678 0.22813 -0.09657 48 2PX 0.00725 -0.04368 0.01423 -0.07902 0.07691 49 2PY 0.01574 -0.01824 -0.09510 -0.15289 0.01662 50 2PZ -0.01050 -0.05069 0.02042 -0.10705 0.05514 51 3S -0.20771 0.04125 0.23579 -0.67064 -0.79532 52 3PX 0.10025 0.09336 -0.16735 0.11828 0.09647 53 3PY -0.13134 0.17253 0.27532 -0.02163 0.29428 54 3PZ 0.18711 0.06472 -0.14789 0.48650 0.21606 55 4XX 0.02946 -0.00505 -0.03663 0.31138 0.07071 56 4YY 0.04103 -0.01377 0.14579 -0.12939 0.06320 57 4ZZ -0.06924 0.00989 -0.11541 -0.21815 -0.10789 58 4XY 0.04208 -0.00012 0.01232 -0.09058 -0.01487 59 4XZ -0.06731 -0.07125 -0.05456 -0.08192 -0.06338 60 4YZ 0.03908 -0.01948 -0.06875 -0.04512 -0.03912 61 5 C 1S 0.00399 -0.00252 0.00187 -0.00845 0.01059 62 2S 0.00051 -0.11731 -0.14682 -0.22812 -0.09647 63 2PX 0.00725 0.04367 0.01424 0.07902 0.07694 64 2PY -0.01574 -0.01826 0.09509 -0.15289 -0.01668 65 2PZ -0.01051 0.05069 0.02044 0.10705 0.05516 66 3S -0.20772 -0.04131 0.23593 0.67063 -0.79694 67 3PX 0.10029 -0.09331 -0.16740 -0.11828 0.09704 68 3PY 0.13133 0.17263 -0.27536 -0.02163 -0.29368 69 3PZ 0.18712 -0.06466 -0.14797 -0.48650 0.21657 70 4XX 0.02944 0.00507 -0.03665 -0.31138 0.07068 71 4YY 0.04103 0.01374 0.14579 0.12939 0.06325 72 4ZZ -0.06923 -0.00988 -0.11539 0.21816 -0.10792 73 4XY -0.04208 -0.00012 -0.01233 -0.09058 0.01477 74 4XZ -0.06732 0.07125 -0.05455 0.08192 -0.06337 75 4YZ -0.03908 -0.01950 0.06875 -0.04512 0.03916 76 6 C 1S 0.00339 -0.00407 0.00212 -0.00206 -0.01278 77 2S 0.04076 -0.01282 0.10472 -0.35650 -0.11181 78 2PX -0.05171 -0.04266 0.01201 0.02939 0.05196 79 2PY 0.02038 0.05905 -0.13385 0.15654 0.06497 80 2PZ -0.02897 -0.02309 0.00036 0.01977 -0.00362 81 3S -0.55401 -0.49292 0.17539 -0.33618 0.20123 82 3PX 0.18759 0.05786 -0.04250 -0.37730 0.54368 83 3PY -1.05764 -0.60231 1.04538 -0.20430 -0.70791 84 3PZ 0.14457 -0.00559 -0.22281 -0.03403 0.79369 85 4XX 0.01220 -0.04249 0.15666 -0.07496 0.03838 86 4YY -0.04840 0.00190 -0.12437 -0.02922 0.07027 87 4ZZ 0.06297 0.01576 -0.01761 0.11408 -0.12252 88 4XY -0.02256 -0.01713 -0.03795 0.07318 0.00089 89 4XZ -0.01778 0.10705 0.07522 0.35491 0.04653 90 4YZ 0.02459 -0.01235 -0.01358 -0.03258 -0.05575 91 7 H 1S -0.18900 -0.00560 0.33588 0.09067 -0.22965 92 2S -0.10465 0.01206 0.25068 0.18592 -0.11751 93 8 H 1S -0.18900 0.00550 0.33586 -0.09068 -0.22955 94 2S -0.10465 -0.01213 0.25066 -0.18593 -0.11737 95 9 H 1S 0.03394 0.03068 0.05473 -0.01696 0.05142 96 2S -0.08933 -0.01961 0.08993 -0.08724 0.02988 97 10 H 1S 0.03394 -0.03069 0.05473 0.01696 0.05137 98 2S -0.08934 0.01957 0.08996 0.08724 0.02969 99 11 O 1S -0.01777 0.00827 0.00957 0.00660 -0.00254 100 2S -0.29899 0.20440 0.32679 0.03756 -0.19920 101 2PX -0.00169 -0.01909 -0.02080 0.03385 0.04771 102 2PY 0.01373 0.01644 0.10044 -0.01825 -0.05238 103 2PZ -0.00744 0.01473 0.01873 -0.01685 0.02308 104 3S 1.29102 -0.77520 -1.09114 -0.28590 0.60798 105 3PX -0.10052 0.07151 0.08031 -0.10260 -0.19808 106 3PY 0.32485 -0.20069 -0.28754 -0.06441 0.13865 107 3PZ 0.04185 -0.05610 -0.01929 0.02579 -0.14603 108 4XX -0.03083 -0.00583 -0.05505 -0.00160 0.04084 109 4YY -0.10981 0.06797 0.08760 -0.02138 -0.08428 110 4ZZ 0.00119 0.02077 0.11637 0.05874 -0.01683 111 4XY -0.02445 -0.03845 0.00487 -0.12429 -0.17856 112 4XZ -0.05520 0.14852 0.06155 0.24796 -0.04872 113 4YZ 0.01287 -0.02900 0.04556 0.08808 -0.14644 114 12 O 1S -0.01777 -0.00827 0.00957 -0.00660 -0.00255 115 2S -0.29896 -0.20453 0.32677 -0.03756 -0.19939 116 2PX -0.00169 0.01909 -0.02080 -0.03385 0.04771 117 2PY -0.01373 0.01646 -0.10044 -0.01824 0.05236 118 2PZ -0.00744 -0.01474 0.01873 0.01685 0.02309 119 3S 1.29091 0.77569 -1.09106 0.28589 0.60891 120 3PX -0.10049 -0.07153 0.08030 0.10261 -0.19812 121 3PY -0.32482 -0.20082 0.28752 -0.06440 -0.13880 122 3PZ 0.04184 0.05611 -0.01929 -0.02579 -0.14603 123 4XX -0.03083 0.00583 -0.05505 0.00161 0.04089 124 4YY -0.10979 -0.06801 0.08759 0.02138 -0.08437 125 4ZZ 0.00119 -0.02079 0.11637 -0.05875 -0.01686 126 4XY 0.02445 -0.03845 -0.00489 -0.12429 0.17861 127 4XZ -0.05517 -0.14855 0.06152 -0.24796 -0.04877 128 4YZ -0.01286 -0.02900 -0.04556 0.08809 0.14646 129 13 C 1S -0.03556 0.00000 -0.03427 0.00000 0.03501 130 2S -0.15435 0.00004 -0.57361 0.00002 -0.25938 131 2PX 0.10174 0.00002 -0.04593 0.00000 -0.23843 132 2PY 0.00001 -0.07982 -0.00001 0.01444 -0.00004 133 2PZ 0.04460 0.00001 -0.06564 0.00000 -0.14645 134 3S 1.14022 -0.00007 1.97151 -0.00007 -2.04730 135 3PX -0.49790 -0.00013 0.82974 -0.00001 0.18676 136 3PY 0.00002 -0.19997 -0.00001 0.04222 -0.00007 137 3PZ 1.32225 0.00006 0.79975 -0.00005 -0.84325 138 4XX 0.20153 0.00000 0.14187 -0.00001 -0.10822 139 4YY 0.24854 0.00004 -0.14134 0.00000 0.27183 140 4ZZ -0.49900 -0.00006 0.03237 0.00001 -0.09775 141 4XY -0.00005 0.49366 0.00005 -0.10624 0.00001 142 4XZ 0.11909 -0.00003 0.43512 -0.00001 0.22056 143 4YZ 0.00004 -0.35504 -0.00003 0.21788 -0.00004 144 14 H 1S 0.55043 0.00007 -0.07598 -0.00001 0.06860 145 2S 0.24377 0.00001 0.13304 -0.00001 -0.11432 146 15 H 1S -0.40331 -0.00004 -0.00943 0.00001 0.38218 147 2S -0.32750 -0.00004 0.01520 0.00001 0.25854 148 16 C 1S 0.01275 0.03010 0.01582 -0.01130 -0.02380 149 2S 0.00778 0.50945 0.29975 0.01847 -1.01631 150 2PX -0.00140 0.01446 0.09876 0.00419 -0.06630 151 2PY -0.07030 0.18666 -0.01202 0.02784 -0.23626 152 2PZ 0.09332 -0.05275 0.07460 0.02587 -0.04182 153 3S -0.44613 -1.81482 -1.06749 0.27087 2.43723 154 3PX 0.39672 0.02379 -0.13031 0.04785 0.08798 155 3PY -0.25123 -1.03191 -0.73313 0.17050 1.58715 156 3PZ -0.11820 -0.61265 -0.07366 0.13402 0.51564 157 4XX -0.14978 0.05700 0.09107 0.15744 0.19793 158 4YY 0.04104 -0.22587 0.08891 -0.02635 -0.03069 159 4ZZ 0.09242 0.14536 -0.22828 -0.12785 -0.00769 160 4XY 0.28035 0.21342 -0.13850 -0.02295 -0.26483 161 4XZ 0.04309 -0.08310 0.04505 0.04865 0.13183 162 4YZ -0.09834 -0.35417 0.10912 0.05503 0.03027 163 17 H 1S -0.07256 0.16306 -0.11875 0.02093 0.14445 164 2S -0.02709 -0.34024 -0.15096 0.05426 0.40166 165 18 C 1S 0.01305 -0.01382 0.01447 0.00303 0.02591 166 2S 0.34225 -0.05634 0.51352 -0.08260 0.13018 167 2PX -0.01618 0.01697 -0.03229 -0.05161 -0.00898 168 2PY 0.25036 0.15729 0.10287 -0.02664 0.12013 169 2PZ 0.01152 -0.07365 -0.22079 0.00211 0.02747 170 3S -0.02930 1.91393 -0.05970 -0.15596 -1.25383 171 3PX 0.04787 -0.38264 0.03503 0.11495 0.14066 172 3PY -0.44796 0.59757 -0.17229 -0.10612 -0.23588 173 3PZ 0.22015 -0.97885 0.16954 0.23470 0.66144 174 4XX 0.24772 0.11676 0.23380 0.14503 0.20025 175 4YY -0.39111 0.09896 -0.18311 -0.02712 -0.08775 176 4ZZ 0.20500 -0.16643 -0.05036 -0.08558 -0.02764 177 4XY -0.03481 0.20997 0.06809 -0.21701 0.11182 178 4XZ 0.08870 -0.01362 -0.14160 -0.02290 -0.01372 179 4YZ -0.17929 0.16906 0.03868 0.00960 0.25521 180 19 H 1S -0.20703 0.27334 0.10255 -0.03491 0.18605 181 2S -0.11546 0.20742 -0.13963 -0.11675 -0.21545 182 20 C 1S 0.01276 -0.03010 0.01582 0.01130 -0.02382 183 2S 0.00788 -0.50950 0.29967 -0.01849 -1.01657 184 2PX -0.00140 -0.01448 0.09876 -0.00419 -0.06630 185 2PY 0.07027 0.18668 0.01206 0.02784 0.23625 186 2PZ 0.09331 0.05275 0.07460 -0.02588 -0.04171 187 3S -0.44651 1.81493 -1.06721 -0.27081 2.43881 188 3PX 0.39673 -0.02367 -0.13033 -0.04786 0.08819 189 3PY 0.25145 -1.03199 0.73297 0.17045 -1.58782 190 3PZ -0.11833 0.61263 -0.07357 -0.13401 0.51586 191 4XX -0.14977 -0.05705 0.09105 -0.15744 0.19808 192 4YY 0.04098 0.22586 0.08896 0.02635 -0.03071 193 4ZZ 0.09246 -0.14529 -0.22830 0.12786 -0.00778 194 4XY -0.28040 0.21333 0.13854 -0.02295 0.26483 195 4XZ 0.04307 0.08310 0.04507 -0.04865 0.13164 196 4YZ 0.09842 -0.35413 -0.10918 0.05503 -0.03021 197 21 H 1S -0.07252 -0.16306 -0.11878 -0.02092 0.14448 198 2S -0.02716 0.34026 -0.15090 -0.05425 0.40177 199 22 C 1S 0.01305 0.01382 0.01447 -0.00303 0.02593 200 2S 0.34223 0.05632 0.51353 0.08256 0.13054 201 2PX -0.01617 -0.01697 -0.03229 0.05161 -0.00901 202 2PY -0.25040 0.15725 -0.10284 -0.02662 -0.12013 203 2PZ 0.01151 0.07370 -0.22078 -0.00210 0.02737 204 3S -0.02889 -1.91392 -0.05999 0.15596 -1.25585 205 3PX 0.04778 0.38265 0.03508 -0.11496 0.14096 206 3PY 0.44783 0.59764 0.17238 -0.10616 0.23654 207 3PZ 0.21993 0.97886 0.16968 -0.23471 0.66247 208 4XX 0.24774 -0.11676 0.23377 -0.14506 0.20031 209 4YY -0.39109 -0.09901 -0.18313 0.02715 -0.08772 210 4ZZ 0.20497 0.16649 -0.05032 0.08557 -0.02773 211 4XY 0.03476 0.20999 -0.06806 -0.21701 -0.11183 212 4XZ 0.08870 0.01366 -0.14159 0.02291 -0.01386 213 4YZ 0.17926 0.16911 -0.03865 0.00960 -0.25515 214 23 H 1S -0.20697 -0.27341 0.10250 0.03491 0.18602 215 2S -0.11541 -0.20742 -0.13966 0.11677 -0.21574 171 172 173 174 175 V V V V V Eigenvalues -- 2.20450 2.21757 2.24203 2.27768 2.28224 1 1 C 1S -0.03930 -0.00060 0.01278 -0.00017 -0.04025 2 2S -0.67782 -0.00766 0.17969 0.18821 -0.73520 3 2PX 0.13034 -0.05989 -0.06068 0.03274 -0.01137 4 2PY -0.01284 -0.00936 -0.07915 -0.06176 -0.09619 5 2PZ -0.01617 -0.02943 0.01303 0.01630 -0.12217 6 3S 4.17655 0.58800 -0.50184 0.06828 3.50971 7 3PX -0.00299 1.10354 -0.17974 0.01209 0.55720 8 3PY -1.68187 -0.03410 0.07164 0.24101 -1.22452 9 3PZ 1.20346 0.62154 -0.20028 -0.20076 1.25933 10 4XX 0.24766 0.36390 -0.17455 0.19803 0.12717 11 4YY 0.01057 0.00150 -0.02712 -0.10415 0.07722 12 4ZZ -0.14181 -0.37630 0.19535 -0.11747 -0.08591 13 4XY -0.02541 -0.19638 -0.13139 0.12389 -0.21371 14 4XZ -0.26490 0.06954 -0.09101 -0.03104 -0.03357 15 4YZ -0.03697 0.08883 -0.01360 -0.14392 0.28373 16 2 C 1S 0.03931 0.00060 0.01278 -0.00016 0.04024 17 2S 0.67809 0.00771 0.17966 0.18829 0.73519 18 2PX -0.13032 0.05990 -0.06068 0.03274 0.01136 19 2PY -0.01276 -0.00935 0.07915 0.06176 -0.09620 20 2PZ 0.01619 0.02944 0.01303 0.01632 0.12217 21 3S -4.17648 -0.58794 -0.50174 0.06796 -3.50966 22 3PX 0.00315 -1.10349 -0.17976 0.01200 -0.55717 23 3PY -1.68234 -0.03422 -0.07161 -0.24103 -1.22456 24 3PZ -1.20370 -0.62158 -0.20026 -0.20089 -1.25931 25 4XX -0.24773 -0.36391 -0.17457 0.19803 -0.12720 26 4YY -0.01061 -0.00151 -0.02711 -0.10415 -0.07721 27 4ZZ 0.14189 0.37631 0.19537 -0.11748 0.08594 28 4XY -0.02545 -0.19640 0.13139 -0.12392 -0.21371 29 4XZ 0.26506 -0.06950 -0.09101 -0.03105 0.03358 30 4YZ -0.03693 0.08884 0.01359 0.14395 0.28371 31 3 C 1S -0.01490 -0.00892 0.00221 0.00224 -0.00924 32 2S -0.51371 0.01777 0.01630 0.03616 0.06303 33 2PX 0.04710 0.00707 -0.08966 -0.03363 -0.07106 34 2PY -0.14591 0.00893 -0.02463 -0.02195 0.04736 35 2PZ -0.02803 -0.05343 -0.10313 0.00058 0.01659 36 3S 1.72452 0.42524 -0.27876 -0.19463 1.08149 37 3PX -0.14115 -0.51828 -0.38218 0.21033 -0.17018 38 3PY 2.45124 0.23325 0.42917 0.42712 1.28084 39 3PZ 0.55191 -0.62856 -0.32390 0.28775 -0.07779 40 4XX 0.12904 -0.30974 -0.27459 0.39431 0.05737 41 4YY -0.06966 0.14737 -0.01511 -0.02516 0.04303 42 4ZZ 0.05526 0.14039 0.30076 -0.36654 -0.10226 43 4XY -0.01826 -0.07995 -0.08735 0.07107 -0.00172 44 4XZ 0.07026 -0.08417 -0.04094 -0.00229 -0.16426 45 4YZ 0.00205 -0.01204 -0.06680 0.03052 -0.00090 46 4 C 1S 0.01422 -0.01130 -0.01153 -0.00087 0.00468 47 2S 0.17428 -0.07749 -0.08542 -0.07190 0.23017 48 2PX 0.04970 0.02235 0.01968 -0.00798 -0.07891 49 2PY 0.12634 -0.12863 -0.03240 -0.01930 -0.07528 50 2PZ 0.04868 -0.06274 -0.05361 0.04554 -0.01908 51 3S -2.68836 0.37468 0.44466 -0.19151 -1.72330 52 3PX 0.91146 0.05992 -0.06876 0.01359 0.52570 53 3PY -0.89153 -0.27233 -0.22794 0.05814 -0.85347 54 3PZ 0.87824 -0.25810 -0.11869 0.10101 0.71333 55 4XX -0.03027 -0.14007 -0.13987 0.11048 0.06615 56 4YY 0.09530 -0.08812 0.02229 0.08221 -0.08066 57 4ZZ -0.08279 0.20221 0.11813 -0.20323 -0.06466 58 4XY 0.12396 0.23755 -0.00305 0.09175 -0.24439 59 4XZ 0.00267 0.10843 0.06061 0.02827 0.04480 60 4YZ 0.00431 -0.37920 0.15710 -0.07240 0.10698 61 5 C 1S -0.01421 0.01131 -0.01152 -0.00087 -0.00468 62 2S -0.17432 0.07749 -0.08541 -0.07190 -0.23016 63 2PX -0.04966 -0.02234 0.01967 -0.00798 0.07892 64 2PY 0.12633 -0.12864 0.03240 0.01927 -0.07529 65 2PZ -0.04865 0.06275 -0.05361 0.04554 0.01908 66 3S 2.68784 -0.37482 0.44459 -0.19140 1.72324 67 3PX -0.91138 -0.05990 -0.06875 0.01356 -0.52567 68 3PY -0.89172 -0.27239 0.22796 -0.05827 -0.85349 69 3PZ -0.87810 0.25814 -0.11865 0.10097 -0.71332 70 4XX 0.03031 0.14008 -0.13986 0.11047 -0.06615 71 4YY -0.09526 0.08812 0.02229 0.08224 0.08065 72 4ZZ 0.08273 -0.20223 0.11812 -0.20323 0.06468 73 4XY 0.12398 0.23756 0.00307 -0.09179 -0.24437 74 4XZ -0.00271 -0.10844 0.06061 0.02825 -0.04482 75 4YZ 0.00434 -0.37919 -0.15712 0.07241 0.10698 76 6 C 1S 0.01490 0.00892 0.00221 0.00224 0.00924 77 2S 0.51364 -0.01778 0.01631 0.03616 -0.06304 78 2PX -0.04706 -0.00706 -0.08966 -0.03362 0.07107 79 2PY -0.14587 0.00894 0.02463 0.02195 0.04736 80 2PZ 0.02803 0.05343 -0.10313 0.00058 -0.01659 81 3S -1.72442 -0.42522 -0.27874 -0.19474 -1.08147 82 3PX 0.14149 0.51838 -0.38216 0.21043 0.17020 83 3PY 2.45082 0.23319 -0.42920 -0.42701 1.28085 84 3PZ -0.55139 0.62870 -0.32389 0.28783 0.07783 85 4XX -0.12902 0.30976 -0.27458 0.39430 -0.05742 86 4YY 0.06971 -0.14736 -0.01511 -0.02516 -0.04303 87 4ZZ -0.05533 -0.14041 0.30075 -0.36653 0.10230 88 4XY -0.01826 -0.07995 0.08734 -0.07105 -0.00171 89 4XZ -0.07024 0.08418 -0.04095 -0.00227 0.16426 90 4YZ 0.00201 -0.01206 0.06679 -0.03051 -0.00090 91 7 H 1S 0.11172 0.26567 -0.08095 -0.04870 0.15770 92 2S 0.17834 0.25941 -0.03974 -0.10261 0.29084 93 8 H 1S -0.11187 -0.26570 -0.08095 -0.04870 -0.15771 94 2S -0.17841 -0.25941 -0.03974 -0.10263 -0.29084 95 9 H 1S -0.03729 -0.14758 -0.00218 0.00401 -0.14199 96 2S -0.31977 0.01086 -0.02039 -0.01078 -0.26879 97 10 H 1S 0.03733 0.14759 -0.00218 0.00403 0.14200 98 2S 0.31979 -0.01085 -0.02040 -0.01075 0.26879 99 11 O 1S -0.01492 -0.00026 -0.00545 -0.00482 -0.00874 100 2S -0.28917 -0.10024 -0.11888 -0.10682 -0.18940 101 2PX 0.00311 -0.01564 -0.02578 0.00144 0.01073 102 2PY 0.05661 -0.09399 -0.00303 0.00735 -0.02751 103 2PZ 0.02188 -0.06268 -0.02207 0.02300 -0.01896 104 3S 1.48879 0.15058 0.51483 0.47565 0.79174 105 3PX -0.09388 0.10579 0.08173 -0.06502 -0.04319 106 3PY 0.23077 0.05838 0.13344 0.11882 0.15793 107 3PZ -0.05325 0.21431 0.12101 -0.07655 0.07893 108 4XX 0.08161 0.03936 0.12365 -0.17818 -0.02416 109 4YY -0.14842 -0.01644 -0.03791 -0.03785 -0.05709 110 4ZZ -0.02086 -0.08719 -0.12798 0.18639 -0.00704 111 4XY -0.10497 0.07214 0.11088 -0.05887 -0.03162 112 4XZ -0.07689 -0.01229 -0.02310 0.00268 0.04440 113 4YZ -0.08766 0.21813 0.13244 -0.10666 0.02970 114 12 O 1S 0.01491 0.00026 -0.00545 -0.00482 0.00874 115 2S 0.28905 0.10022 -0.11888 -0.10681 0.18940 116 2PX -0.00308 0.01565 -0.02578 0.00144 -0.01073 117 2PY 0.05664 -0.09398 0.00303 -0.00736 -0.02751 118 2PZ -0.02187 0.06269 -0.02207 0.02300 0.01896 119 3S -1.48842 -0.15052 0.51484 0.47559 -0.79176 120 3PX 0.09375 -0.10583 0.08173 -0.06503 0.04318 121 3PY 0.23069 0.05837 -0.13345 -0.11880 0.15793 122 3PZ 0.05315 -0.21434 0.12100 -0.07657 -0.07893 123 4XX -0.08159 -0.03936 0.12365 -0.17817 0.02419 124 4YY 0.14837 0.01643 -0.03791 -0.03785 0.05709 125 4ZZ 0.02085 0.08720 -0.12798 0.18639 0.00701 126 4XY -0.10486 0.07217 -0.11088 0.05888 -0.03162 127 4XZ 0.07687 0.01228 -0.02309 0.00267 -0.04441 128 4YZ -0.08757 0.21816 -0.13243 0.10668 0.02969 129 13 C 1S 0.00001 0.00000 -0.02352 -0.03308 0.00000 130 2S -0.00008 -0.00001 -0.19831 0.24532 -0.00002 131 2PX -0.00007 -0.00001 -0.02155 0.13339 -0.00001 132 2PY 0.14269 -0.04387 0.00000 0.00000 0.08627 133 2PZ -0.00004 -0.00001 0.06827 0.11357 -0.00001 134 3S -0.00058 -0.00014 1.13091 0.86812 -0.00003 135 3PX 0.00005 0.00000 0.51084 0.09371 0.00000 136 3PY 0.23773 -0.02331 0.00000 0.00001 0.20883 137 3PZ -0.00024 -0.00006 0.12961 0.20027 -0.00002 138 4XX -0.00003 -0.00001 0.22110 -0.03002 0.00000 139 4YY 0.00008 0.00002 -0.10386 -0.12619 0.00001 140 4ZZ -0.00003 0.00000 -0.08482 0.04340 -0.00001 141 4XY -0.06460 0.07585 0.00000 0.00000 0.18737 142 4XZ 0.00006 0.00001 0.11972 0.00025 0.00000 143 4YZ 0.13119 -0.03825 0.00000 0.00000 -0.06527 144 14 H 1S 0.00002 0.00000 -0.03313 -0.08446 0.00000 145 2S -0.00003 -0.00001 -0.14298 0.02542 -0.00001 146 15 H 1S 0.00011 0.00002 -0.09250 -0.05408 0.00000 147 2S 0.00007 0.00001 0.18201 0.01348 0.00000 148 16 C 1S -0.03533 0.01232 0.01523 0.00804 -0.05407 149 2S -0.43462 0.16666 0.06314 0.15155 -0.74699 150 2PX 0.01920 0.00150 -0.00668 -0.01337 -0.09788 151 2PY 0.02042 0.02216 -0.03376 0.04520 -0.11255 152 2PZ 0.18823 -0.02481 -0.04142 -0.04441 -0.06141 153 3S 2.66413 -0.49405 -0.76825 -0.68906 1.70374 154 3PX 0.38332 -0.11314 0.17329 0.30252 0.30874 155 3PY 1.13186 -0.10664 -0.39484 -0.62326 0.91613 156 3PZ 0.31821 0.09508 -0.02171 -0.09774 0.36216 157 4XX 0.28665 0.01026 0.32752 0.21748 -0.28809 158 4YY -0.05010 -0.02535 0.00663 -0.06314 0.08444 159 4ZZ -0.14220 0.00154 -0.32070 -0.17991 0.23467 160 4XY -0.01958 0.05257 0.15552 0.33230 -0.00924 161 4XZ -0.29926 0.04915 0.25662 0.14878 -0.17386 162 4YZ -0.11069 0.00350 0.14294 0.06894 0.03883 163 17 H 1S 0.07101 0.05092 -0.06986 -0.09712 -0.04283 164 2S 0.18213 -0.01924 -0.02813 -0.13322 0.25197 165 18 C 1S 0.03129 -0.00342 -0.00994 -0.01427 -0.01149 166 2S 0.62679 -0.07379 -0.05214 -0.15731 -0.32948 167 2PX -0.03411 -0.03024 -0.06364 -0.03530 0.03281 168 2PY -0.00122 0.01822 -0.08130 -0.10434 0.02868 169 2PZ -0.16953 0.00729 -0.05249 0.01413 0.15363 170 3S -3.44742 0.32148 0.28233 0.35496 -0.04971 171 3PX 0.47694 0.06404 -0.13555 -0.19858 0.26377 172 3PY -1.13169 0.01772 0.08095 0.24831 0.39269 173 3PZ 1.73694 -0.05400 -0.16878 -0.32915 -0.03990 174 4XX 0.11116 0.02004 0.03160 -0.01814 -0.24344 175 4YY 0.03978 0.00521 0.08661 0.09713 0.03650 176 4ZZ -0.15749 -0.01972 -0.14576 -0.11123 0.23060 177 4XY 0.02341 -0.06484 0.15058 0.09116 0.16412 178 4XZ -0.21356 0.02527 0.26662 0.25739 -0.27207 179 4YZ -0.09376 0.06658 0.09211 0.00535 -0.05865 180 19 H 1S -0.03828 -0.01624 0.05108 0.02232 0.02064 181 2S -0.48605 -0.02517 0.03783 0.14668 0.08642 182 20 C 1S 0.03531 -0.01233 0.01522 0.00804 0.05407 183 2S 0.43402 -0.16678 0.06311 0.15160 0.74696 184 2PX -0.01924 -0.00151 -0.00669 -0.01336 0.09788 185 2PY 0.02057 0.02219 0.03376 -0.04521 -0.11254 186 2PZ -0.18826 0.02480 -0.04142 -0.04441 0.06141 187 3S -2.66272 0.49437 -0.76821 -0.68919 -1.70368 188 3PX -0.38327 0.11315 0.17330 0.30250 -0.30876 189 3PY 1.13092 -0.10684 0.39483 0.62331 0.91604 190 3PZ -0.31790 -0.09502 -0.02171 -0.09777 -0.36213 191 4XX -0.28653 -0.01025 0.32751 0.21749 0.28809 192 4YY 0.05009 0.02535 0.00664 -0.06314 -0.08443 193 4ZZ 0.14219 -0.00153 -0.32070 -0.17992 -0.23467 194 4XY -0.01943 0.05260 -0.15551 -0.33230 -0.00921 195 4XZ 0.29934 -0.04914 0.25661 0.14880 0.17386 196 4YZ -0.11070 0.00350 -0.14294 -0.06893 0.03884 197 21 H 1S -0.07092 -0.05090 -0.06986 -0.09712 0.04285 198 2S -0.18189 0.01929 -0.02813 -0.13323 -0.25195 199 22 C 1S -0.03127 0.00343 -0.00994 -0.01427 0.01149 200 2S -0.62673 0.07380 -0.05215 -0.15730 0.32949 201 2PX 0.03410 0.03024 -0.06364 -0.03531 -0.03281 202 2PY -0.00129 0.01821 0.08130 0.10434 0.02868 203 2PZ 0.16955 -0.00728 -0.05248 0.01412 -0.15363 204 3S 3.44670 -0.32164 0.28239 0.35501 0.04967 205 3PX -0.47687 -0.06401 -0.13556 -0.19861 -0.26376 206 3PY -1.13157 0.01774 -0.08099 -0.24830 0.39271 207 3PZ -1.73656 0.05408 -0.16881 -0.32916 0.03994 208 4XX -0.11104 -0.02002 0.03159 -0.01812 0.24345 209 4YY -0.03983 -0.00522 0.08661 0.09712 -0.03651 210 4ZZ 0.15747 0.01972 -0.14575 -0.11125 -0.23060 211 4XY 0.02335 -0.06485 -0.15057 -0.09113 0.16412 212 4XZ 0.21356 -0.02528 0.26661 0.25741 0.27205 213 4YZ -0.09391 0.06656 -0.09211 -0.00536 -0.05866 214 23 H 1S 0.03839 0.01625 0.05108 0.02232 -0.02064 215 2S 0.48593 0.02514 0.03784 0.14668 -0.08643 176 177 178 179 180 V V V V V Eigenvalues -- 2.30753 2.32014 2.34410 2.36827 2.40391 1 1 C 1S 0.00403 -0.04894 -0.03484 -0.01436 0.03090 2 2S 0.41087 -0.49237 -0.24104 0.09670 0.51353 3 2PX -0.01519 0.04815 0.05843 -0.00605 -0.02641 4 2PY -0.17071 0.18662 -0.03422 -0.00440 -0.08508 5 2PZ 0.06447 0.02152 0.01332 0.03305 -0.00032 6 3S -1.31383 2.27331 2.01617 0.11758 -1.70921 7 3PX -0.74230 0.58558 0.07831 0.01142 0.42637 8 3PY -1.03661 0.58795 -0.48516 0.01914 -0.34245 9 3PZ -0.61072 0.70840 0.51831 0.03580 -0.23602 10 4XX 0.01205 -0.06088 -0.03066 0.07173 -0.00284 11 4YY 0.25639 0.14285 0.03357 -0.08352 0.14863 12 4ZZ -0.30806 -0.08934 -0.01390 -0.06515 -0.18270 13 4XY 0.20317 0.24842 -0.19806 0.01105 -0.22333 14 4XZ -0.19829 0.17395 -0.02814 -0.00626 -0.00810 15 4YZ -0.10074 0.25596 0.20065 -0.00144 0.28398 16 2 C 1S -0.00404 -0.04894 0.03484 -0.01435 -0.03090 17 2S -0.41086 -0.49240 0.24104 0.09671 -0.51353 18 2PX 0.01520 0.04815 -0.05843 -0.00605 0.02641 19 2PY -0.17071 -0.18662 -0.03422 0.00440 -0.08508 20 2PZ -0.06447 0.02152 -0.01332 0.03306 0.00032 21 3S 1.31386 2.27350 -2.01613 0.11751 1.70918 22 3PX 0.74233 0.58561 -0.07830 0.01141 -0.42637 23 3PY -1.03662 -0.58783 -0.48518 -0.01918 -0.34245 24 3PZ 0.61072 0.70847 -0.51830 0.03577 0.23601 25 4XX -0.01203 -0.06086 0.03066 0.07172 0.00284 26 4YY -0.25640 0.14285 -0.03358 -0.08352 -0.14863 27 4ZZ 0.30805 -0.08935 0.01391 -0.06515 0.18271 28 4XY 0.20315 -0.24842 -0.19806 -0.01105 -0.22333 29 4XZ 0.19829 0.17394 0.02814 -0.00625 0.00810 30 4YZ -0.10073 -0.25597 0.20065 0.00145 0.28398 31 3 C 1S 0.00056 -0.00273 -0.01127 0.00893 -0.00671 32 2S 0.18369 0.02953 -0.31640 0.09144 -0.10055 33 2PX 0.05424 0.16855 -0.00218 -0.02570 0.02225 34 2PY 0.05742 -0.00145 -0.07651 -0.01767 0.05119 35 2PZ 0.02570 0.17218 -0.02436 0.01351 0.01343 36 3S -0.45508 -0.20428 0.99150 -0.28355 0.44414 37 3PX 1.52314 1.75571 -0.25481 -0.01038 0.82916 38 3PY -0.23255 0.04090 0.95865 -0.14690 0.15145 39 3PZ 1.29249 1.68002 0.09917 -0.05722 0.75160 40 4XX -0.12943 -0.17491 0.10616 0.07739 -0.13710 41 4YY -0.02501 0.02123 0.01794 -0.00414 0.01085 42 4ZZ 0.08753 0.12987 -0.04425 -0.07938 0.13683 43 4XY -0.10389 0.11680 -0.06293 0.04939 -0.14141 44 4XZ 0.02286 0.02065 0.06052 -0.07191 -0.07152 45 4YZ -0.08065 0.16524 0.05173 -0.04909 0.03159 46 4 C 1S 0.00949 0.05373 0.00551 -0.00881 0.00621 47 2S 0.36352 0.38669 -0.04772 0.03624 0.24936 48 2PX -0.02974 0.03473 0.02415 -0.04173 -0.06542 49 2PY 0.23749 0.20902 0.02573 -0.02442 0.08552 50 2PZ -0.05132 0.05378 0.04830 -0.00704 -0.00522 51 3S -0.76293 -2.02989 -0.80711 0.15686 -0.82301 52 3PX 0.44086 0.50188 0.20614 -0.03560 0.40315 53 3PY 1.00873 0.54189 -0.32766 -0.02814 0.51599 54 3PZ 0.58384 0.61580 0.32276 -0.06985 0.65856 55 4XX -0.10335 0.14382 -0.00235 0.00078 -0.17845 56 4YY 0.26894 -0.19046 0.02034 -0.00433 0.12187 57 4ZZ -0.14213 0.12744 0.00492 -0.03525 0.04338 58 4XY 0.17392 -0.17660 -0.15606 0.03241 -0.34113 59 4XZ -0.26472 -0.33940 0.02604 0.05831 -0.11814 60 4YZ -0.00924 -0.19872 0.14987 0.00145 0.27603 61 5 C 1S -0.00949 0.05373 -0.00551 -0.00881 -0.00621 62 2S -0.36352 0.38670 0.04773 0.03623 -0.24936 63 2PX 0.02974 0.03473 -0.02415 -0.04173 0.06542 64 2PY 0.23749 -0.20902 0.02573 0.02442 0.08552 65 2PZ 0.05133 0.05378 -0.04830 -0.00704 0.00522 66 3S 0.76288 -2.03002 0.80708 0.15690 0.82302 67 3PX -0.44087 0.50193 -0.20613 -0.03562 -0.40315 68 3PY 1.00870 -0.54185 -0.32767 0.02813 0.51599 69 3PZ -0.58383 0.61585 -0.32275 -0.06987 -0.65856 70 4XX 0.10336 0.14381 0.00236 0.00078 0.17846 71 4YY -0.26893 -0.19045 -0.02035 -0.00433 -0.12188 72 4ZZ 0.14212 0.12743 -0.00492 -0.03525 -0.04337 73 4XY 0.17392 0.17660 -0.15606 -0.03241 -0.34112 74 4XZ 0.26472 -0.33941 -0.02605 0.05831 0.11813 75 4YZ -0.00923 0.19872 0.14987 -0.00145 0.27604 76 6 C 1S -0.00056 -0.00273 0.01127 0.00893 0.00671 77 2S -0.18369 0.02952 0.31640 0.09144 0.10055 78 2PX -0.05423 0.16855 0.00218 -0.02570 -0.02225 79 2PY 0.05742 0.00145 -0.07651 0.01767 0.05119 80 2PZ -0.02570 0.17218 0.02437 0.01351 -0.01344 81 3S 0.45509 -0.20422 -0.99151 -0.28358 -0.44412 82 3PX -1.52310 1.75573 0.25482 -0.01039 -0.82918 83 3PY -0.23259 -0.04098 0.95864 0.14692 0.15144 84 3PZ -1.29245 1.68005 -0.09914 -0.05723 -0.75161 85 4XX 0.12946 -0.17491 -0.10616 0.07739 0.13710 86 4YY 0.02501 0.02123 -0.01794 -0.00414 -0.01085 87 4ZZ -0.08755 0.12987 0.04426 -0.07938 -0.13683 88 4XY -0.10389 -0.11680 -0.06293 -0.04939 -0.14140 89 4XZ -0.02286 0.02065 -0.06053 -0.07190 0.07153 90 4YZ -0.08066 -0.16524 0.05173 0.04909 0.03159 91 7 H 1S 0.19825 0.06137 0.00349 -0.00281 0.31891 92 2S -0.01321 0.01989 0.05087 0.03370 0.14509 93 8 H 1S -0.19825 0.06139 -0.00349 -0.00281 -0.31891 94 2S 0.01320 0.01991 -0.05087 0.03369 -0.14509 95 9 H 1S 0.22907 0.05791 -0.04154 -0.01300 0.04057 96 2S -0.03394 -0.06317 -0.09616 0.01235 -0.07901 97 10 H 1S -0.22907 0.05790 0.04154 -0.01299 -0.04058 98 2S 0.03394 -0.06319 0.09615 0.01236 0.07901 99 11 O 1S 0.00118 -0.00056 -0.00563 0.00344 -0.00594 100 2S 0.01008 -0.03516 -0.09962 0.00905 -0.01084 101 2PX 0.05549 0.07441 -0.01485 0.00908 0.01943 102 2PY -0.00265 -0.01717 -0.00405 0.00571 -0.00994 103 2PZ 0.02368 0.07545 0.01097 -0.00579 0.01764 104 3S -0.08707 0.07278 0.48403 -0.06058 0.04711 105 3PX -0.35965 -0.41772 0.02211 0.00398 -0.19994 106 3PY -0.01296 0.01830 0.06592 -0.01160 0.00680 107 3PZ -0.24657 -0.39620 -0.01135 0.00219 -0.13007 108 4XX 0.12895 0.09109 -0.01617 -0.01255 0.03713 109 4YY -0.02995 -0.02883 -0.04612 -0.00067 0.00605 110 4ZZ -0.09210 -0.07783 0.01696 0.04270 -0.09649 111 4XY -0.35007 -0.26331 -0.02993 0.03924 -0.20453 112 4XZ -0.02055 0.00175 -0.02625 0.02517 0.00274 113 4YZ -0.21969 -0.23344 -0.00897 -0.04300 -0.03546 114 12 O 1S -0.00118 -0.00056 0.00563 0.00344 0.00594 115 2S -0.01008 -0.03518 0.09962 0.00906 0.01085 116 2PX -0.05549 0.07441 0.01486 0.00908 -0.01943 117 2PY -0.00265 0.01717 -0.00405 -0.00571 -0.00994 118 2PZ -0.02368 0.07545 -0.01097 -0.00579 -0.01764 119 3S 0.08708 0.07285 -0.48402 -0.06059 -0.04712 120 3PX 0.35964 -0.41773 -0.02211 0.00398 0.19995 121 3PY -0.01296 -0.01831 0.06591 0.01160 0.00680 122 3PZ 0.24655 -0.39620 0.01134 0.00219 0.13007 123 4XX -0.12895 0.09108 0.01618 -0.01255 -0.03712 124 4YY 0.02994 -0.02883 0.04611 -0.00067 -0.00606 125 4ZZ 0.09211 -0.07783 -0.01696 0.04270 0.09649 126 4XY -0.35007 0.26332 -0.02993 -0.03925 -0.20453 127 4XZ 0.02055 0.00174 0.02625 0.02517 -0.00274 128 4YZ -0.21967 0.23344 -0.00897 0.04300 -0.03547 129 13 C 1S 0.00000 -0.03829 0.00000 0.00708 0.00000 130 2S 0.00000 -0.17233 0.00000 0.07681 0.00000 131 2PX 0.00000 0.06348 0.00000 0.00174 0.00000 132 2PY 0.02727 0.00000 0.04453 0.00000 -0.10523 133 2PZ 0.00000 0.05725 0.00000 0.08059 0.00000 134 3S 0.00004 1.95235 0.00001 -0.04897 -0.00002 135 3PX 0.00001 0.49009 0.00001 0.01303 -0.00001 136 3PY -0.05972 0.00000 0.26414 0.00000 -0.36484 137 3PZ 0.00001 0.67158 0.00000 0.06039 -0.00001 138 4XX 0.00000 0.17576 0.00000 0.87395 0.00000 139 4YY 0.00000 -0.12536 0.00000 -0.12424 0.00000 140 4ZZ 0.00000 -0.07279 0.00000 -0.74740 0.00000 141 4XY 0.05729 -0.00001 0.26329 0.00000 -0.19851 142 4XZ 0.00000 0.02528 0.00000 -0.00005 -0.00001 143 4YZ -0.08231 0.00000 -0.07942 0.00000 0.07851 144 14 H 1S -0.00001 -0.03929 0.00000 0.48680 0.00000 145 2S 0.00000 0.15538 0.00000 -0.17519 0.00000 146 15 H 1S 0.00000 -0.19881 0.00000 -0.41004 0.00000 147 2S 0.00000 0.02033 0.00000 0.15246 0.00000 148 16 C 1S -0.01037 0.02139 -0.02428 0.00720 0.05014 149 2S -0.27476 0.36956 -0.34665 0.12650 0.62388 150 2PX -0.05892 0.00018 -0.03727 -0.01945 0.04691 151 2PY -0.09733 0.07458 -0.02848 0.01048 0.10151 152 2PZ -0.06990 0.01236 0.01586 -0.01157 -0.04099 153 3S 0.15781 -1.43877 1.24657 -0.60058 -1.76013 154 3PX 0.04854 0.07708 0.35505 -0.19588 -0.26682 155 3PY 0.29777 -1.01218 0.41358 -0.12045 -0.93992 156 3PZ 0.16232 -0.08294 -0.07072 -0.13784 0.03709 157 4XX -0.24800 0.07616 -0.02949 0.14764 0.27137 158 4YY 0.14022 0.02581 0.16971 -0.21560 -0.14186 159 4ZZ 0.11655 -0.16242 -0.08177 0.03134 -0.18881 160 4XY 0.05929 0.09694 0.23760 -0.31346 -0.06102 161 4XZ 0.05036 0.03278 0.02914 -0.04699 0.15122 162 4YZ 0.03354 0.05007 -0.14818 0.14086 0.02219 163 17 H 1S -0.05600 -0.09146 -0.13646 0.14916 0.09223 164 2S 0.14843 -0.23783 0.08491 -0.04596 -0.25904 165 18 C 1S -0.01184 -0.00715 -0.00696 -0.01305 -0.00220 166 2S -0.31592 0.00020 0.21870 -0.30850 0.12750 167 2PX -0.01496 -0.05697 -0.03083 0.02001 -0.01211 168 2PY 0.00436 -0.06429 0.00632 -0.08521 -0.01590 169 2PZ 0.11121 -0.08413 -0.02623 0.07608 -0.10775 170 3S 0.62348 0.49784 -0.71778 0.55234 0.62861 171 3PX 0.03892 -0.04080 -0.34293 -0.00737 -0.03669 172 3PY 0.29810 0.11943 -0.03494 0.06577 0.06416 173 3PZ -0.22455 -0.21388 0.54579 -0.37193 -0.24302 174 4XX -0.11295 -0.03212 -0.01336 -0.23609 0.07811 175 4YY 0.01236 0.04150 0.07449 0.12230 -0.03925 176 4ZZ 0.12749 -0.01756 -0.11934 0.12623 -0.06881 177 4XY -0.09201 0.01607 -0.60312 -0.01789 0.22689 178 4XZ 0.03340 0.10176 0.22445 -0.05084 0.15824 179 4YZ 0.05009 -0.05549 0.12996 -0.02823 -0.02301 180 19 H 1S -0.05355 -0.05023 -0.07423 -0.06999 0.00949 181 2S 0.08925 0.04328 -0.01770 0.11843 0.00432 182 20 C 1S 0.01037 0.02138 0.02428 0.00720 -0.05014 183 2S 0.27477 0.36953 0.34665 0.12652 -0.62388 184 2PX 0.05892 0.00018 0.03726 -0.01945 -0.04691 185 2PY -0.09734 -0.07458 -0.02848 -0.01048 0.10151 186 2PZ 0.06990 0.01236 -0.01586 -0.01157 0.04099 187 3S -0.15786 -1.43868 -1.24658 -0.60064 1.76018 188 3PX -0.04852 0.07709 -0.35505 -0.19589 0.26682 189 3PY 0.29781 1.01214 0.41359 0.12049 -0.93993 190 3PZ -0.16232 -0.08292 0.07073 -0.13786 -0.03709 191 4XX 0.24801 0.07616 0.02950 0.14764 -0.27138 192 4YY -0.14023 0.02581 -0.16971 -0.21560 0.14187 193 4ZZ -0.11657 -0.16242 0.08176 0.03134 0.18882 194 4XY 0.05927 -0.09694 0.23759 0.31346 -0.06101 195 4XZ -0.05035 0.03277 -0.02913 -0.04699 -0.15122 196 4YZ 0.03354 -0.05007 -0.14818 -0.14086 0.02220 197 21 H 1S 0.05600 -0.09146 0.13645 0.14915 -0.09223 198 2S -0.14844 -0.23783 -0.08490 -0.04597 0.25904 199 22 C 1S 0.01184 -0.00715 0.00696 -0.01305 0.00220 200 2S 0.31592 0.00019 -0.21870 -0.30850 -0.12750 201 2PX 0.01496 -0.05697 0.03083 0.02001 0.01211 202 2PY 0.00437 0.06429 0.00632 0.08522 -0.01590 203 2PZ -0.11121 -0.08413 0.02622 0.07607 0.10775 204 3S -0.62347 0.49780 0.71779 0.55239 -0.62862 205 3PX -0.03893 -0.04079 0.34293 -0.00738 0.03669 206 3PY 0.29808 -0.11943 -0.03494 -0.06579 0.06417 207 3PZ 0.22453 -0.21385 -0.54579 -0.37195 0.24303 208 4XX 0.11296 -0.03213 0.01336 -0.23609 -0.07811 209 4YY -0.01235 0.04150 -0.07449 0.12230 0.03925 210 4ZZ -0.12750 -0.01755 0.11934 0.12623 0.06882 211 4XY -0.09202 -0.01605 -0.60313 0.01789 0.22689 212 4XZ -0.03338 0.10175 -0.22444 -0.05084 -0.15825 213 4YZ 0.05010 0.05549 0.12996 0.02824 -0.02301 214 23 H 1S 0.05355 -0.05023 0.07423 -0.06999 -0.00949 215 2S -0.08924 0.04327 0.01770 0.11844 -0.00433 181 182 183 184 185 V V V V V Eigenvalues -- 2.45222 2.47126 2.50715 2.57242 2.57977 1 1 C 1S 0.00767 -0.04012 0.04597 -0.05722 -0.00263 2 2S 0.09368 -0.64907 0.26053 -0.19514 0.27896 3 2PX -0.08380 -0.01852 -0.11288 0.02960 0.00678 4 2PY 0.00751 -0.04149 -0.20889 -0.21448 -0.04667 5 2PZ -0.00025 -0.09569 -0.09319 -0.01330 0.06206 6 3S -0.36282 3.09556 -1.69882 2.17460 -0.28770 7 3PX 0.05453 -0.05874 -0.72314 0.34275 -0.04930 8 3PY -0.15588 -1.30745 -0.15649 -1.01719 -0.33885 9 3PZ 0.07279 1.15770 -0.67204 0.49524 -0.30902 10 4XX -0.05504 0.08042 0.01848 -0.22993 -0.24680 11 4YY 0.01839 0.01769 -0.04715 0.45252 0.09411 12 4ZZ 0.04300 0.00488 0.03411 -0.18300 0.07641 13 4XY -0.02390 -0.02626 -0.17815 -0.23748 -0.25478 14 4XZ -0.06917 -0.15587 -0.35821 0.21033 0.04137 15 4YZ 0.00659 0.02063 -0.16662 -0.27311 0.28894 16 2 C 1S 0.00767 0.04012 0.04597 0.05722 0.00263 17 2S 0.09370 0.64907 0.26054 0.19514 -0.27895 18 2PX -0.08380 0.01852 -0.11289 -0.02960 -0.00678 19 2PY -0.00751 -0.04149 0.20889 -0.21448 -0.04666 20 2PZ -0.00024 0.09569 -0.09319 0.01330 -0.06206 21 3S -0.36292 -3.09555 -1.69888 -2.17457 0.28770 22 3PX 0.05453 0.05874 -0.72314 -0.34274 0.04931 23 3PY 0.15582 -1.30744 0.15645 -1.01720 -0.33885 24 3PZ 0.07274 -1.15770 -0.67205 -0.49524 0.30902 25 4XX -0.05505 -0.08041 0.01847 0.22993 0.24681 26 4YY 0.01839 -0.01769 -0.04715 -0.45252 -0.09412 27 4ZZ 0.04301 -0.00488 0.03411 0.18300 -0.07641 28 4XY 0.02390 -0.02626 0.17815 -0.23748 -0.25477 29 4XZ -0.06916 0.15587 -0.35821 -0.21032 -0.04137 30 4YZ -0.00659 0.02063 0.16661 -0.27311 0.28895 31 3 C 1S -0.01106 0.00828 -0.10793 0.00706 -0.01676 32 2S 0.03281 0.07616 -0.43949 -0.10143 -0.17633 33 2PX 0.01129 -0.08105 -0.02503 0.00136 0.05925 34 2PY 0.01936 -0.06575 0.13909 -0.04424 0.01411 35 2PZ 0.01641 -0.02726 -0.02045 0.04523 -0.00278 36 3S 0.14639 0.24878 2.80301 0.05486 0.61266 37 3PX -0.17396 -0.06529 -0.42965 -0.32992 0.56547 38 3PY 0.03195 1.12275 1.38524 0.06337 0.43557 39 3PZ -0.20941 0.18185 -0.16198 -0.15554 0.57080 40 4XX -0.03709 0.15404 -0.15219 0.05772 0.29269 41 4YY -0.00385 -0.02741 0.19743 0.07026 0.01154 42 4ZZ -0.00162 -0.11269 -0.18718 -0.08951 -0.29592 43 4XY -0.03149 0.09009 -0.15193 -0.05293 -0.11481 44 4XZ 0.05107 -0.06994 0.60484 -0.00641 0.05081 45 4YZ 0.02542 -0.04308 0.15607 -0.35108 0.15873 46 4 C 1S 0.00212 -0.00379 0.04033 -0.05056 0.01708 47 2S 0.09984 0.00652 0.14967 -0.14260 0.16905 48 2PX -0.01980 0.01630 0.09525 -0.01735 0.03266 49 2PY 0.02914 -0.00993 0.17189 0.16776 0.06082 50 2PZ -0.00128 0.00585 0.11527 -0.01509 -0.02510 51 3S 0.05921 -0.85882 -1.03695 1.84186 -1.17998 52 3PX 0.07442 0.21105 0.45349 -0.34237 0.50647 53 3PY -0.12528 -0.48048 -0.05786 0.72447 0.10996 54 3PZ 0.03724 0.22151 0.50636 -0.42392 0.60619 55 4XX -0.01156 0.10025 0.06367 -0.11923 0.08709 56 4YY -0.03394 -0.03264 -0.01789 0.31759 0.07218 57 4ZZ 0.01749 -0.10371 -0.01575 -0.17752 -0.14886 58 4XY -0.02045 0.12280 -0.11122 -0.14485 0.30425 59 4XZ -0.03422 0.10563 -0.30069 0.32959 -0.10813 60 4YZ -0.01644 -0.08659 -0.12428 -0.19309 -0.22253 61 5 C 1S 0.00212 0.00379 0.04033 0.05056 -0.01707 62 2S 0.09984 -0.00653 0.14968 0.14260 -0.16905 63 2PX -0.01980 -0.01630 0.09525 0.01734 -0.03266 64 2PY -0.02914 -0.00993 -0.17189 0.16776 0.06081 65 2PZ -0.00128 -0.00585 0.11527 0.01509 0.02511 66 3S 0.05924 0.85885 -1.03696 -1.84185 1.17999 67 3PX 0.07441 -0.21105 0.45349 0.34236 -0.50648 68 3PY 0.12527 -0.48048 0.05786 0.72447 0.10996 69 3PZ 0.03723 -0.22152 0.50637 0.42392 -0.60619 70 4XX -0.01156 -0.10025 0.06367 0.11924 -0.08709 71 4YY -0.03394 0.03265 -0.01789 -0.31759 -0.07218 72 4ZZ 0.01750 0.10370 -0.01575 0.17752 0.14886 73 4XY 0.02045 0.12279 0.11123 -0.14485 0.30426 74 4XZ -0.03422 -0.10562 -0.30070 -0.32958 0.10814 75 4YZ 0.01644 -0.08660 0.12427 -0.19310 -0.22252 76 6 C 1S -0.01106 -0.00828 -0.10793 -0.00706 0.01676 77 2S 0.03281 -0.07616 -0.43949 0.10144 0.17633 78 2PX 0.01129 0.08105 -0.02503 -0.00136 -0.05924 79 2PY -0.01937 -0.06575 -0.13909 -0.04424 0.01411 80 2PZ 0.01641 0.02726 -0.02045 -0.04523 0.00277 81 3S 0.14638 -0.24879 2.80301 -0.05490 -0.61267 82 3PX -0.17397 0.06526 -0.42962 0.32993 -0.56547 83 3PY -0.03191 1.12277 -1.38523 0.06339 0.43558 84 3PZ -0.20943 -0.18187 -0.16198 0.15555 -0.57081 85 4XX -0.03709 -0.15404 -0.15220 -0.05771 -0.29268 86 4YY -0.00385 0.02741 0.19744 -0.07027 -0.01157 87 4ZZ -0.00162 0.11269 -0.18718 0.08952 0.29593 88 4XY 0.03149 0.09008 0.15193 -0.05294 -0.11480 89 4XZ 0.05107 0.06994 0.60484 0.00641 -0.05081 90 4YZ -0.02543 -0.04308 -0.15607 -0.35107 0.15871 91 7 H 1S 0.07111 0.06112 -0.01377 -0.17750 0.04517 92 2S 0.07831 0.30165 -0.09134 0.29970 -0.07810 93 8 H 1S 0.07111 -0.06112 -0.01377 0.17749 -0.04517 94 2S 0.07829 -0.30165 -0.09134 -0.29970 0.07810 95 9 H 1S -0.02238 -0.06603 0.01889 -0.21585 0.05093 96 2S -0.04912 -0.10145 -0.13874 0.26717 -0.15118 97 10 H 1S -0.02238 0.06603 0.01889 0.21585 -0.05094 98 2S -0.04912 0.10146 -0.13874 -0.26716 0.15118 99 11 O 1S 0.00204 -0.00348 0.00991 -0.00062 -0.00072 100 2S -0.00901 -0.15342 -0.26561 -0.00281 -0.07284 101 2PX -0.00304 -0.00247 0.00775 -0.02383 0.01050 102 2PY -0.01063 0.02148 -0.12289 -0.00849 -0.02710 103 2PZ -0.00825 0.00255 -0.02583 -0.01993 0.01389 104 3S -0.01787 0.78850 0.44078 0.02637 0.19136 105 3PX 0.02874 -0.01937 0.03113 0.10772 -0.17552 106 3PY -0.00195 0.14248 0.11361 0.01833 0.03418 107 3PZ 0.05741 -0.01204 0.10379 -0.05414 -0.06529 108 4XX 0.01122 0.00599 -0.04107 -0.02980 -0.07412 109 4YY -0.00570 -0.07500 0.07977 0.05081 -0.02994 110 4ZZ 0.00522 0.06359 -0.01926 -0.03021 0.08856 111 4XY 0.00176 0.04059 -0.00178 -0.00172 -0.21493 112 4XZ -0.00977 0.00595 -0.12504 0.03864 -0.03831 113 4YZ 0.04964 -0.06633 0.08562 -0.30457 0.03182 114 12 O 1S 0.00204 0.00348 0.00991 0.00062 0.00072 115 2S -0.00901 0.15343 -0.26561 0.00281 0.07285 116 2PX -0.00304 0.00247 0.00775 0.02383 -0.01050 117 2PY 0.01063 0.02148 0.12289 -0.00849 -0.02711 118 2PZ -0.00825 -0.00255 -0.02583 0.01993 -0.01389 119 3S -0.01790 -0.78852 0.44077 -0.02637 -0.19138 120 3PX 0.02874 0.01937 0.03113 -0.10772 0.17551 121 3PY 0.00196 0.14249 -0.11360 0.01833 0.03420 122 3PZ 0.05742 0.01204 0.10379 0.05414 0.06530 123 4XX 0.01122 -0.00599 -0.04106 0.02980 0.07413 124 4YY -0.00570 0.07500 0.07978 -0.05081 0.02992 125 4ZZ 0.00522 -0.06359 -0.01927 0.03021 -0.08856 126 4XY -0.00176 0.04059 0.00177 -0.00172 -0.21491 127 4XZ -0.00977 -0.00594 -0.12503 -0.03864 0.03831 128 4YZ -0.04965 -0.06633 -0.08562 -0.30457 0.03180 129 13 C 1S -0.09297 0.00000 0.02148 0.00000 0.00000 130 2S -0.26105 0.00001 0.10778 0.00000 0.00000 131 2PX 0.17849 0.00000 -0.01195 0.00000 0.00000 132 2PY 0.00000 0.16110 0.00000 0.09768 0.06684 133 2PZ 0.22701 0.00000 -0.01386 0.00000 0.00000 134 3S 2.99230 -0.00006 -0.69842 -0.00001 0.00003 135 3PX 1.23230 -0.00003 -0.34322 -0.00001 0.00001 136 3PY 0.00000 0.06974 0.00000 0.24727 0.15356 137 3PZ 0.77275 -0.00002 -0.28483 0.00000 0.00001 138 4XX -0.35580 0.00000 0.12681 0.00000 0.00000 139 4YY 0.36124 0.00000 -0.11000 0.00000 0.00000 140 4ZZ -0.08849 0.00000 -0.00430 0.00000 0.00000 141 4XY -0.00001 -0.02458 0.00000 0.13850 0.07922 142 4XZ 0.69379 -0.00002 -0.05803 0.00000 0.00000 143 4YZ 0.00000 -0.14631 0.00000 0.21831 0.09733 144 14 H 1S -0.08062 0.00000 0.06608 0.00000 0.00000 145 2S -0.02637 0.00000 -0.18618 0.00000 0.00000 146 15 H 1S 0.27221 -0.00001 -0.05670 0.00000 0.00000 147 2S 0.07531 0.00000 -0.03817 0.00000 0.00000 148 16 C 1S 0.07111 -0.04520 -0.01200 -0.02196 -0.02471 149 2S 0.15844 -1.02792 0.03189 0.05460 0.08123 150 2PX 0.09335 -0.04158 0.01065 0.01038 0.02868 151 2PY -0.16754 -0.20700 0.01477 0.06431 0.08423 152 2PZ 0.01456 -0.02593 -0.01039 0.00361 0.13865 153 3S -2.47757 2.20210 0.35773 0.31639 1.24124 154 3PX 0.08159 0.75123 -0.07646 -0.08822 -0.02653 155 3PY -1.12714 1.27766 0.29971 0.21330 0.39205 156 3PZ -0.16175 0.32186 0.01914 -0.04372 0.46609 157 4XX 0.36841 0.14164 -0.04022 -0.03807 -0.16791 158 4YY -0.34026 0.12030 -0.05296 0.04159 0.02807 159 4ZZ 0.03974 -0.08687 0.06744 -0.03213 0.08676 160 4XY 0.23385 0.24259 -0.05394 -0.08098 -0.05815 161 4XZ -0.42811 0.31657 0.07937 0.07378 0.15613 162 4YZ 0.06977 -0.01040 -0.05186 -0.05925 0.09975 163 17 H 1S 0.15587 -0.06596 0.04657 0.00735 -0.05138 164 2S -0.20328 0.40246 0.09900 0.03804 0.05441 165 18 C 1S -0.02722 -0.01245 0.00170 -0.01081 0.06497 166 2S -0.15816 -0.19570 -0.11625 0.07716 0.22411 167 2PX -0.01550 -0.00505 0.00566 0.02382 0.01174 168 2PY -0.10133 0.00167 -0.02970 0.11522 -0.16612 169 2PZ -0.08991 0.11533 0.06473 0.01084 0.04511 170 3S 1.04411 -0.75353 -0.10943 0.09718 -2.73418 171 3PX -0.08049 0.01133 0.00302 -0.01668 0.32026 172 3PY 0.08676 0.07145 0.10875 0.14828 -0.90851 173 3PZ -0.59430 0.45072 -0.02309 -0.01376 1.05953 174 4XX -0.28202 0.01855 -0.01649 -0.07166 0.44043 175 4YY 0.01366 0.04064 0.04814 0.19579 -0.31606 176 4ZZ 0.25193 -0.05110 -0.00795 -0.13819 -0.12195 177 4XY -0.03441 0.34051 0.01788 0.02357 0.05065 178 4XZ 0.00461 0.45008 -0.00679 -0.05307 -0.16713 179 4YZ 0.00287 -0.15098 -0.04846 -0.04321 0.00306 180 19 H 1S -0.08611 -0.11049 -0.00139 0.02804 0.10018 181 2S 0.12736 -0.00208 0.06437 0.03450 -0.33008 182 20 C 1S 0.07112 0.04520 -0.01200 0.02196 0.02471 183 2S 0.15847 1.02792 0.03189 -0.05461 -0.08123 184 2PX 0.09335 0.04158 0.01065 -0.01038 -0.02868 185 2PY 0.16754 -0.20700 -0.01477 0.06431 0.08423 186 2PZ 0.01457 0.02593 -0.01039 -0.00361 -0.13865 187 3S -2.47759 -2.20203 0.35770 -0.31638 -1.24128 188 3PX 0.08156 -0.75124 -0.07646 0.08822 0.02653 189 3PY 1.12715 1.27760 -0.29970 0.21328 0.39208 190 3PZ -0.16175 -0.32187 0.01914 0.04373 -0.46609 191 4XX 0.36840 -0.14166 -0.04022 0.03807 0.16791 192 4YY -0.34027 -0.12028 -0.05296 -0.04159 -0.02808 193 4ZZ 0.03975 0.08687 0.06744 0.03213 -0.08676 194 4XY -0.23383 0.24260 0.05394 -0.08098 -0.05815 195 4XZ -0.42812 -0.31656 0.07937 -0.07378 -0.15614 196 4YZ -0.06977 -0.01039 0.05186 -0.05925 0.09974 197 21 H 1S 0.15588 0.06595 0.04657 -0.00735 0.05138 198 2S -0.20329 -0.40245 0.09900 -0.03803 -0.05442 199 22 C 1S -0.02721 0.01245 0.00171 0.01081 -0.06497 200 2S -0.15815 0.19571 -0.11625 -0.07716 -0.22412 201 2PX -0.01550 0.00505 0.00566 -0.02382 -0.01175 202 2PY 0.10133 0.00167 0.02971 0.11522 -0.16612 203 2PZ -0.08992 -0.11533 0.06473 -0.01084 -0.04511 204 3S 1.04405 0.75351 -0.10942 -0.09718 2.73420 205 3PX -0.08048 -0.01133 0.00302 0.01668 -0.32026 206 3PY -0.08673 0.07145 -0.10876 0.14828 -0.90852 207 3PZ -0.59428 -0.45070 -0.02310 0.01376 -1.05954 208 4XX -0.28201 -0.01854 -0.01649 0.07166 -0.44043 209 4YY 0.01365 -0.04064 0.04813 -0.19578 0.31606 210 4ZZ 0.25193 0.05110 -0.00795 0.13819 0.12195 211 4XY 0.03442 0.34051 -0.01788 0.02357 0.05065 212 4XZ 0.00459 -0.45009 -0.00679 0.05307 0.16714 213 4YZ -0.00287 -0.15098 0.04845 -0.04321 0.00306 214 23 H 1S -0.08611 0.11050 -0.00138 -0.02804 -0.10019 215 2S 0.12735 0.00208 0.06437 -0.03450 0.33008 186 187 188 189 190 V V V V V Eigenvalues -- 2.59740 2.62870 2.62883 2.63412 2.65579 1 1 C 1S -0.00111 0.03636 -0.00877 -0.01328 -0.00242 2 2S -0.00059 0.34223 0.12786 -0.17639 0.14582 3 2PX -0.01294 0.04091 0.09437 0.05199 0.02276 4 2PY 0.00737 0.07054 0.13625 0.06178 0.06263 5 2PZ 0.01401 -0.00340 0.07395 0.01511 0.04785 6 3S 0.06107 -1.90294 -0.07240 1.26959 -0.50196 7 3PX -0.01506 0.22705 -0.04382 0.21867 -0.16317 8 3PY 0.09313 0.42763 0.01700 -0.47521 -0.26053 9 3PZ -0.04726 -0.23476 -0.11371 0.43417 -0.16904 10 4XX -0.13477 0.03312 -0.07209 0.21509 -0.00799 11 4YY 0.03994 -0.14009 0.17519 -0.10328 0.05174 12 4ZZ 0.08725 0.04824 -0.20164 -0.09035 -0.13247 13 4XY 0.02352 -0.10289 0.15046 0.00139 0.06550 14 4XZ -0.04831 0.08380 -0.07567 0.07985 -0.09659 15 4YZ 0.03668 0.26704 0.12716 -0.02020 0.02045 16 2 C 1S -0.00110 -0.03634 -0.00884 0.01328 -0.00242 17 2S -0.00059 -0.34250 0.12716 0.17639 0.14582 18 2PX -0.01294 -0.04111 0.09428 -0.05200 0.02276 19 2PY -0.00737 0.07082 -0.13609 0.06179 -0.06263 20 2PZ 0.01400 0.00324 0.07396 -0.01512 0.04785 21 3S 0.06101 1.90309 -0.06852 -1.26961 -0.50196 22 3PX -0.01506 -0.22696 -0.04432 -0.21867 -0.16319 23 3PY -0.09316 0.42767 -0.01615 -0.47520 0.26054 24 3PZ -0.04727 0.23500 -0.11326 -0.43417 -0.16904 25 4XX -0.13475 -0.03298 -0.07217 -0.21509 -0.00798 26 4YY 0.03993 0.13972 0.17549 0.10326 0.05173 27 4ZZ 0.08725 -0.04782 -0.20173 0.09036 -0.13248 28 4XY -0.02353 -0.10258 -0.15068 0.00139 -0.06550 29 4XZ -0.04832 -0.08365 -0.07585 -0.07985 -0.09659 30 4YZ -0.03667 0.26730 -0.12659 -0.02019 -0.02046 31 3 C 1S -0.01315 -0.03241 -0.00964 -0.02257 -0.01457 32 2S -0.14181 -0.02288 -0.14509 -0.21482 -0.06284 33 2PX -0.09885 -0.00610 0.00023 -0.05307 0.00389 34 2PY 0.01438 0.14432 0.00996 0.00640 0.01717 35 2PZ 0.09067 0.09615 -0.02424 0.04101 -0.00817 36 3S 0.21991 0.86998 -0.36360 0.96399 0.19643 37 3PX -0.05224 0.55132 -0.02957 -0.04303 -0.30343 38 3PY 0.15714 0.08061 0.36988 0.86207 0.17123 39 3PZ 0.27564 0.60880 0.02202 0.33076 -0.32095 40 4XX -0.18923 0.05816 -0.23289 -0.12666 -0.07383 41 4YY 0.30952 0.12038 0.44859 0.14857 0.18865 42 4ZZ -0.12440 -0.25900 -0.25233 0.02922 -0.16063 43 4XY 0.42642 0.23141 -0.15446 0.20172 -0.12654 44 4XZ 0.08094 0.15850 -0.36511 0.16144 -0.12617 45 4YZ -0.44040 -0.13927 0.10186 -0.25646 0.09810 46 4 C 1S 0.00292 0.02313 -0.01985 0.00915 -0.01126 47 2S 0.05118 0.34585 0.06929 -0.02625 0.04124 48 2PX -0.02098 -0.01907 -0.06636 0.02472 -0.03397 49 2PY -0.01888 0.08861 -0.14823 0.09162 -0.06365 50 2PZ -0.00829 -0.01820 -0.10523 0.04182 -0.04587 51 3S -0.27048 -1.26323 0.06442 -0.60723 0.23110 52 3PX 0.09307 0.68183 0.04185 0.26242 0.01593 53 3PY 0.09165 0.32153 0.00245 0.12524 -0.10806 54 3PZ 0.07902 0.73234 0.04482 0.39830 0.00436 55 4XX 0.04886 0.09105 -0.18162 0.02925 -0.09625 56 4YY 0.03676 0.12782 0.17279 0.15111 0.07838 57 4ZZ -0.10543 -0.24316 -0.11537 -0.09333 -0.05811 58 4XY 0.03492 0.15805 0.12878 -0.19707 0.05233 59 4XZ -0.07321 -0.22553 -0.08489 -0.06697 -0.03522 60 4YZ 0.03594 -0.21618 0.18001 0.02008 0.06859 61 5 C 1S 0.00292 -0.02308 -0.01990 -0.00915 -0.01126 62 2S 0.05117 -0.34600 0.06856 0.02625 0.04124 63 2PX -0.02098 0.01921 -0.06633 -0.02471 -0.03397 64 2PY 0.01888 0.08831 0.14842 0.09161 0.06365 65 2PZ -0.00829 0.01842 -0.10519 -0.04181 -0.04586 66 3S -0.27043 1.26309 0.06715 0.60722 0.23110 67 3PX 0.09305 -0.68192 0.04038 -0.26242 0.01593 68 3PY -0.09165 0.32152 -0.00175 0.12524 0.10805 69 3PZ 0.07900 -0.73244 0.04324 -0.39830 0.00436 70 4XX 0.04887 -0.09068 -0.18181 -0.02924 -0.09625 71 4YY 0.03676 -0.12817 0.17250 -0.15113 0.07838 72 4ZZ -0.10543 0.24340 -0.11485 0.09334 -0.05811 73 4XY -0.03491 0.15832 -0.12847 -0.19706 -0.05233 74 4XZ -0.07321 0.22571 -0.08440 0.06697 -0.03521 75 4YZ -0.03595 -0.21580 -0.18046 0.02009 -0.06859 76 6 C 1S -0.01315 0.03243 -0.00957 0.02257 -0.01457 77 2S -0.14180 0.02318 -0.14501 0.21483 -0.06283 78 2PX -0.09885 0.00610 0.00024 0.05307 0.00389 79 2PY -0.01438 0.14435 -0.00966 0.00640 -0.01717 80 2PZ 0.09068 -0.09610 -0.02444 -0.04101 -0.00817 81 3S 0.21986 -0.86922 -0.36553 -0.96393 0.19642 82 3PX -0.05225 -0.55126 -0.03073 0.04301 -0.30342 83 3PY -0.15710 0.08138 -0.36962 0.86208 -0.17124 84 3PZ 0.27563 -0.60884 0.02070 -0.33077 -0.32093 85 4XX -0.18923 -0.05769 -0.23301 0.12667 -0.07384 86 4YY 0.30951 -0.12130 0.44833 -0.14859 0.18866 87 4ZZ -0.12439 0.25953 -0.25179 -0.02921 -0.16063 88 4XY -0.42645 0.23108 0.15494 0.20172 0.12653 89 4XZ 0.08093 -0.15774 -0.36546 -0.16141 -0.12617 90 4YZ 0.44041 -0.13905 -0.10217 -0.25645 -0.09809 91 7 H 1S -0.01030 0.15197 0.11777 0.02753 0.10025 92 2S -0.05170 0.03281 -0.08536 0.08212 -0.06859 93 8 H 1S -0.01030 -0.15221 0.11744 -0.02754 0.10026 94 2S -0.05170 -0.03263 -0.08544 -0.08211 -0.06859 95 9 H 1S 0.06911 0.06616 0.13089 -0.03846 0.03418 96 2S -0.03145 -0.15982 -0.09856 -0.02881 -0.06596 97 10 H 1S 0.06911 -0.06643 0.13075 0.03845 0.03418 98 2S -0.03144 0.16003 -0.09822 0.02882 -0.06595 99 11 O 1S -0.00300 0.00154 -0.00451 -0.00236 0.00384 100 2S -0.11977 -0.06083 -0.48008 -0.13047 -0.21556 101 2PX 0.00667 0.02415 0.03264 -0.00907 0.01454 102 2PY -0.06653 -0.02689 -0.26236 -0.01324 -0.12402 103 2PZ -0.00574 0.00812 -0.01916 0.00658 -0.01699 104 3S 0.23329 -0.01730 0.91701 0.48274 0.29860 105 3PX 0.19424 -0.04488 -0.08459 0.10158 -0.00834 106 3PY 0.15908 0.06160 0.40583 0.12738 0.14392 107 3PZ -0.22256 -0.19591 0.06057 -0.15499 0.10862 108 4XX -0.15204 -0.13645 -0.08880 -0.03659 -0.02176 109 4YY 0.22495 0.15533 0.01418 0.10008 -0.00672 110 4ZZ -0.12817 -0.01441 -0.08851 -0.07637 -0.00097 111 4XY 0.43126 0.11172 -0.09945 0.21984 -0.06390 112 4XZ 0.11477 0.05292 0.07880 0.04882 0.02567 113 4YZ -0.44254 -0.22607 0.09047 -0.27550 0.10759 114 12 O 1S -0.00300 -0.00153 -0.00451 0.00236 0.00384 115 2S -0.11976 0.06183 -0.47993 0.13049 -0.21556 116 2PX 0.00667 -0.02422 0.03258 0.00907 0.01454 117 2PY 0.06653 -0.02744 0.26230 -0.01325 0.12401 118 2PZ -0.00574 -0.00808 -0.01918 -0.00658 -0.01699 119 3S 0.23328 0.01538 0.91700 -0.48280 0.29861 120 3PX 0.19425 0.04507 -0.08449 -0.10157 -0.00833 121 3PY -0.15908 0.06245 -0.40569 0.12741 -0.14392 122 3PZ -0.22257 0.19578 0.06099 0.15499 0.10861 123 4XX -0.15203 0.13663 -0.08851 0.03659 -0.02177 124 4YY 0.22495 -0.15535 0.01385 -0.10008 -0.00672 125 4ZZ -0.12818 0.01459 -0.08847 0.07638 -0.00097 126 4XY -0.43129 0.11150 0.09969 0.21983 0.06389 127 4XZ 0.11477 -0.05307 0.07869 -0.04883 0.02568 128 4YZ 0.44255 -0.22587 -0.09097 -0.27550 -0.10758 129 13 C 1S 0.00024 0.00002 -0.01422 0.00000 0.04085 130 2S -0.12793 -0.00006 0.05500 0.00000 0.17659 131 2PX -0.03130 -0.00004 0.03520 0.00000 -0.04501 132 2PY 0.00000 -0.26339 -0.00028 -0.06770 0.00000 133 2PZ -0.00414 -0.00003 0.02493 0.00000 -0.05755 134 3S 0.25510 0.00007 -0.09012 0.00000 -0.77138 135 3PX 0.15762 0.00002 -0.02075 0.00000 -0.36875 136 3PY 0.00001 -0.48000 -0.00052 -0.39457 0.00000 137 3PZ 0.00584 -0.00004 0.02263 0.00000 -0.12355 138 4XX -0.03146 0.00004 -0.03488 0.00000 0.00774 139 4YY 0.02381 0.00001 -0.00988 0.00000 0.15556 140 4ZZ 0.05895 -0.00001 0.01376 0.00000 -0.17437 141 4XY 0.00000 -0.20319 -0.00022 -0.22681 0.00000 142 4XZ 0.01889 -0.00012 0.11310 -0.00001 -0.30811 143 4YZ 0.00000 -0.10343 -0.00012 -0.37841 0.00000 144 14 H 1S -0.05553 0.00000 -0.00130 0.00000 0.13664 145 2S -0.02475 -0.00008 0.07408 0.00000 -0.09794 146 15 H 1S 0.02750 -0.00002 0.02428 0.00000 -0.02865 147 2S 0.02923 0.00001 -0.00414 0.00000 -0.04080 148 16 C 1S 0.00722 0.07696 -0.01643 0.00207 0.02206 149 2S 0.04047 0.66801 -0.11190 -0.15294 -0.00383 150 2PX 0.00339 -0.00708 0.02749 0.07164 -0.08765 151 2PY -0.02151 0.02284 0.01407 -0.08184 -0.02481 152 2PZ -0.02398 -0.22502 0.15133 0.15469 -0.28984 153 3S -0.27569 -3.53159 0.69750 1.01816 -0.68922 154 3PX -0.03546 -0.38983 0.15616 0.36047 -0.19973 155 3PY -0.04898 -1.78968 0.19538 0.45562 -0.17700 156 3PZ -0.03595 -0.69801 0.34955 0.55680 -0.80927 157 4XX 0.01896 0.23875 -0.06288 -0.02700 0.09064 158 4YY 0.03635 -0.13552 -0.17242 -0.11192 0.45206 159 4ZZ -0.06506 -0.21191 0.29307 0.16116 -0.59374 160 4XY 0.00460 -0.02132 0.06402 0.20468 -0.10509 161 4XZ -0.02627 -0.24584 0.11617 -0.01238 -0.29756 162 4YZ -0.05708 -0.08435 0.19606 0.15116 -0.30465 163 17 H 1S -0.00281 0.05414 0.02423 0.00863 -0.14368 164 2S 0.02775 -0.44140 0.04380 0.10449 -0.05554 165 18 C 1S -0.00474 -0.06962 0.02255 0.07417 -0.04018 166 2S 0.08130 -0.23502 -0.05603 0.23823 0.00860 167 2PX -0.00366 -0.03659 0.03608 0.02022 -0.07080 168 2PY -0.01344 0.08621 0.06568 -0.33043 -0.14160 169 2PZ -0.05444 -0.16461 0.17975 0.04383 -0.32007 170 3S 0.05769 4.24605 -0.58352 -3.36187 1.08853 171 3PX -0.03190 -0.42695 0.08646 0.11891 -0.17297 172 3PY -0.00401 1.25107 0.06406 -1.28542 -0.13607 173 3PZ -0.04226 -1.76251 0.33104 1.03088 -0.64052 174 4XX -0.02959 -0.43620 0.12246 0.48579 -0.22209 175 4YY -0.03120 0.18921 0.08249 -0.64722 -0.10770 176 4ZZ 0.03813 0.24528 -0.21777 0.08457 0.40665 177 4XY 0.01623 -0.03901 -0.03119 -0.05429 0.05847 178 4XZ 0.02297 0.14566 -0.09636 -0.08049 0.17159 179 4YZ 0.02520 0.08506 -0.12060 0.03726 0.30005 180 19 H 1S 0.00690 -0.06547 0.00892 0.09167 0.00435 181 2S 0.01343 0.47120 -0.06053 -0.34101 0.13147 182 20 C 1S 0.00722 -0.07692 -0.01659 -0.00207 0.02206 183 2S 0.04048 -0.66778 -0.11329 0.15294 -0.00384 184 2PX 0.00338 0.00703 0.02750 -0.07165 -0.08765 185 2PY 0.02151 0.02286 -0.01403 -0.08184 0.02482 186 2PZ -0.02399 0.22470 0.15179 -0.15471 -0.28983 187 3S -0.27584 3.53017 0.70479 -1.01824 -0.68919 188 3PX -0.03547 0.38950 0.15695 -0.36049 -0.19972 189 3PY 0.04904 -1.78927 -0.19908 0.45564 0.17698 190 3PZ -0.03599 0.69728 0.35096 -0.55685 -0.80926 191 4XX 0.01898 -0.23862 -0.06338 0.02701 0.09064 192 4YY 0.03634 0.13588 -0.17213 0.11194 0.45206 193 4ZZ -0.06507 0.21129 0.29350 -0.16119 -0.59374 194 4XY -0.00460 -0.02119 -0.06405 0.20469 0.10509 195 4XZ -0.02628 0.24560 0.11668 0.01236 -0.29756 196 4YZ 0.05708 -0.08393 -0.19622 0.15118 0.30464 197 21 H 1S -0.00280 -0.05420 0.02412 -0.00863 -0.14368 198 2S 0.02774 0.44131 0.04471 -0.10450 -0.05553 199 22 C 1S -0.00474 0.06957 0.02269 -0.07418 -0.04018 200 2S 0.08129 0.23514 -0.05557 -0.23823 0.00861 201 2PX -0.00366 0.03652 0.03616 -0.02023 -0.07080 202 2PY 0.01343 0.08634 -0.06553 -0.33042 0.14160 203 2PZ -0.05445 0.16423 0.18009 -0.04384 -0.32007 204 3S 0.05793 -4.24483 -0.59211 3.36195 1.08847 205 3PX -0.03192 0.42678 0.08734 -0.11892 -0.17298 206 3PY 0.00393 1.25121 -0.06155 -1.28541 0.13608 207 3PZ -0.04236 1.76181 0.33463 -1.03092 -0.64049 208 4XX -0.02962 0.43594 0.12333 -0.48580 -0.22208 209 4YY -0.03118 -0.18938 0.08215 0.64721 -0.10771 210 4ZZ 0.03814 -0.24482 -0.21829 -0.08454 0.40665 211 4XY -0.01623 -0.03908 0.03110 -0.05429 -0.05848 212 4XZ 0.02299 -0.14546 -0.09666 0.08051 0.17159 213 4YZ -0.02520 0.08481 0.12078 0.03724 -0.30005 214 23 H 1S 0.00689 0.06545 0.00905 -0.09168 0.00435 215 2S 0.01346 -0.47108 -0.06149 0.34102 0.13146 191 192 193 194 195 V V V V V Eigenvalues -- 2.66895 2.68099 2.71168 2.76370 2.83234 1 1 C 1S 0.01647 -0.00457 -0.02625 -0.06284 -0.10758 2 2S -0.00324 -0.03197 -0.62750 -0.84357 -0.85287 3 2PX 0.01013 0.00950 0.04592 0.10180 0.08165 4 2PY -0.04512 0.03784 0.22008 -0.08279 -0.21022 5 2PZ -0.04111 0.01259 -0.00247 -0.02948 -0.05002 6 3S -0.94097 0.15286 2.19472 5.62437 6.13358 7 3PX -0.37169 0.12339 0.62198 0.74800 1.65413 8 3PY -0.06065 -0.04406 0.41353 -2.35643 -0.62789 9 3PZ -0.44356 0.11510 1.15164 1.59376 2.18464 10 4XX -0.17546 -0.01001 0.25332 -0.04304 -0.11496 11 4YY 0.13253 0.02600 -0.42223 0.21796 0.50924 12 4ZZ 0.13238 -0.01259 0.27347 0.07256 -0.22853 13 4XY -0.09003 0.02949 0.27129 -0.20954 0.34650 14 4XZ -0.00239 0.02886 0.28062 0.20997 0.34627 15 4YZ -0.12227 0.03618 0.08599 -0.39359 0.21884 16 2 C 1S -0.01647 -0.00457 0.02625 0.06284 0.10758 17 2S 0.00323 -0.03196 0.62750 0.84357 0.85287 18 2PX -0.01013 0.00950 -0.04592 -0.10180 -0.08164 19 2PY -0.04512 -0.03784 0.22008 -0.08279 -0.21022 20 2PZ 0.04111 0.01259 0.00247 0.02948 0.05002 21 3S 0.94098 0.15281 -2.19472 -5.62437 -6.13357 22 3PX 0.37169 0.12339 -0.62199 -0.74798 -1.65413 23 3PY -0.06064 0.04407 0.41353 -2.35644 -0.62791 24 3PZ 0.44357 0.11509 -1.15163 -1.59375 -2.18464 25 4XX 0.17546 -0.01001 -0.25332 0.04304 0.11495 26 4YY -0.13253 0.02600 0.42224 -0.21796 -0.50923 27 4ZZ -0.13238 -0.01259 -0.27346 -0.07256 0.22853 28 4XY -0.09003 -0.02948 0.27129 -0.20954 0.34650 29 4XZ 0.00239 0.02886 -0.28062 -0.20996 -0.34627 30 4YZ -0.12227 -0.03618 0.08599 -0.39359 0.21884 31 3 C 1S 0.03697 0.00879 -0.06322 -0.08997 -0.03945 32 2S 0.32801 0.07087 -0.09355 -0.73971 -0.40905 33 2PX 0.05481 0.01774 -0.03527 0.05678 -0.26234 34 2PY -0.08755 -0.00274 0.22808 0.19101 0.15278 35 2PZ -0.00809 0.00708 -0.03049 0.11050 -0.22313 36 3S -1.70191 -0.33956 2.01177 3.95984 1.70182 37 3PX 0.18663 -0.00902 -0.59103 0.21638 -2.21718 38 3PY -0.76607 -0.32026 0.86814 3.28236 1.58112 39 3PZ -0.19274 -0.08274 -0.30866 0.84466 -1.80029 40 4XX 0.14695 -0.01108 -0.02581 -0.14269 0.07451 41 4YY -0.16690 0.01902 -0.00240 0.16068 0.00343 42 4ZZ 0.00703 -0.02224 -0.03490 -0.10775 -0.10710 43 4XY -0.24886 -0.02640 -0.24618 -0.11798 -0.20641 44 4XZ -0.19165 -0.09621 0.20114 0.17191 0.08191 45 4YZ 0.10161 0.01099 0.12388 0.20202 -0.13815 46 4 C 1S -0.04193 -0.00888 -0.02155 0.09177 -0.03503 47 2S -0.15499 0.00606 0.14380 0.47172 -0.06866 48 2PX -0.01816 -0.02674 0.02128 0.01350 0.02997 49 2PY 0.06375 -0.04379 0.38934 -0.25491 0.08016 50 2PZ -0.04872 -0.02396 0.01781 0.03880 0.04146 51 3S 2.08368 0.21310 0.48643 -6.46620 0.16430 52 3PX -0.58699 -0.07631 0.34850 1.92943 -0.36410 53 3PY 0.57799 0.01854 0.60946 -1.91482 -1.52947 54 3PZ -0.62252 -0.10160 0.31353 2.10912 -0.66129 55 4XX -0.13041 -0.03548 -0.32904 0.20754 -0.13891 56 4YY 0.13175 0.01105 0.62961 -0.46819 0.13544 57 4ZZ -0.01397 -0.00894 -0.24408 0.19702 -0.05970 58 4XY -0.03977 0.02231 -0.27468 -0.08354 0.36197 59 4XZ 0.24550 0.02683 -0.09363 -0.34816 0.12047 60 4YZ -0.16099 0.02702 -0.27519 -0.03088 0.43432 61 5 C 1S 0.04193 -0.00888 0.02155 -0.09177 0.03503 62 2S 0.15499 0.00606 -0.14380 -0.47172 0.06866 63 2PX 0.01816 -0.02674 -0.02129 -0.01350 -0.02997 64 2PY 0.06375 0.04379 0.38933 -0.25491 0.08016 65 2PZ 0.04872 -0.02396 -0.01781 -0.03880 -0.04146 66 3S -2.08368 0.21309 -0.48643 6.46621 -0.16428 67 3PX 0.58699 -0.07631 -0.34851 -1.92941 0.36412 68 3PY 0.57799 -0.01854 0.60946 -1.91484 -1.52947 69 3PZ 0.62252 -0.10160 -0.31353 -2.10913 0.66128 70 4XX 0.13041 -0.03547 0.32905 -0.20754 0.13890 71 4YY -0.13175 0.01104 -0.62962 0.46819 -0.13544 72 4ZZ 0.01398 -0.00893 0.24409 -0.19702 0.05970 73 4XY -0.03977 -0.02231 -0.27466 -0.08354 0.36197 74 4XZ -0.24549 0.02683 0.09363 0.34816 -0.12047 75 4YZ -0.16099 -0.02702 -0.27518 -0.03087 0.43432 76 6 C 1S -0.03697 0.00879 0.06322 0.08998 0.03945 77 2S -0.32801 0.07087 0.09356 0.73972 0.40905 78 2PX -0.05481 0.01774 0.03527 -0.05678 0.26234 79 2PY -0.08755 0.00275 0.22808 0.19101 0.15279 80 2PZ 0.00809 0.00708 0.03049 -0.11050 0.22313 81 3S 1.70191 -0.33958 -2.01177 -3.95984 -1.70185 82 3PX -0.18662 -0.00901 0.59102 -0.21642 2.21716 83 3PY -0.76607 0.32027 0.86816 3.28239 1.58116 84 3PZ 0.19274 -0.08273 0.30865 -0.84467 1.80029 85 4XX -0.14695 -0.01108 0.02582 0.14269 -0.07451 86 4YY 0.16689 0.01902 0.00238 -0.16068 -0.00344 87 4ZZ -0.00703 -0.02224 0.03491 0.10775 0.10710 88 4XY -0.24887 0.02640 -0.24618 -0.11798 -0.20641 89 4XZ 0.19165 -0.09621 -0.20113 -0.17191 -0.08191 90 4YZ 0.10161 -0.01100 0.12388 0.20202 -0.13815 91 7 H 1S -0.12227 0.03139 -0.07308 -0.23978 0.05127 92 2S 0.02362 0.00963 0.10757 0.55076 0.40499 93 8 H 1S 0.12227 0.03139 0.07308 0.23978 -0.05127 94 2S -0.02362 0.00964 -0.10757 -0.55076 -0.40499 95 9 H 1S -0.13345 0.01218 -0.14917 -0.02548 0.13550 96 2S 0.24419 0.02297 0.05131 -0.71146 -0.11029 97 10 H 1S 0.13345 0.01218 0.14917 0.02548 -0.13550 98 2S -0.24419 0.02297 -0.05131 0.71147 0.11029 99 11 O 1S -0.00043 0.00142 0.00409 0.01659 0.00693 100 2S 0.10120 0.01062 -0.20230 -0.53895 -0.27549 101 2PX -0.00775 0.00946 -0.01372 0.02646 -0.06431 102 2PY 0.03235 -0.01688 -0.03471 -0.09970 -0.01371 103 2PZ -0.00424 -0.00636 -0.00820 0.01952 -0.05737 104 3S -0.22168 -0.13800 0.41156 1.54083 0.90884 105 3PX -0.11373 -0.01281 0.01671 -0.22610 0.37793 106 3PY -0.09069 -0.01970 0.12777 0.42930 0.31624 107 3PZ 0.09331 0.02600 0.12929 -0.06825 0.43238 108 4XX 0.08310 0.01021 0.02288 0.01488 -0.08160 109 4YY -0.17104 -0.01093 0.02713 0.22236 0.21335 110 4ZZ 0.08893 -0.00340 -0.01019 -0.05875 -0.00763 111 4XY -0.24928 -0.02385 -0.13847 -0.17689 0.10070 112 4XZ -0.03120 0.01232 0.00177 -0.05770 -0.04211 113 4YZ 0.11602 0.02833 0.12923 0.02736 0.17890 114 12 O 1S 0.00043 0.00142 -0.00409 -0.01659 -0.00693 115 2S -0.10119 0.01062 0.20231 0.53895 0.27549 116 2PX 0.00775 0.00946 0.01372 -0.02646 0.06431 117 2PY 0.03235 0.01688 -0.03471 -0.09970 -0.01371 118 2PZ 0.00424 -0.00636 0.00820 -0.01952 0.05737 119 3S 0.22167 -0.13801 -0.41158 -1.54085 -0.90885 120 3PX 0.11373 -0.01282 -0.01672 0.22610 -0.37794 121 3PY -0.09069 0.01971 0.12778 0.42931 0.31623 122 3PZ -0.09331 0.02599 -0.12929 0.06826 -0.43238 123 4XX -0.08310 0.01021 -0.02287 -0.01488 0.08160 124 4YY 0.17104 -0.01093 -0.02713 -0.22236 -0.21335 125 4ZZ -0.08893 -0.00340 0.01019 0.05875 0.00763 126 4XY -0.24929 0.02386 -0.13846 -0.17689 0.10071 127 4XZ 0.03120 0.01232 -0.00177 0.05770 0.04211 128 4YZ 0.11602 -0.02833 0.12923 0.02736 0.17890 129 13 C 1S 0.00000 0.03250 0.00000 0.00000 0.00000 130 2S 0.00000 -0.06703 0.00000 0.00000 0.00000 131 2PX 0.00000 -0.09883 0.00000 0.00000 0.00000 132 2PY -0.31004 0.00000 0.10313 0.04320 -0.03238 133 2PZ 0.00000 -0.07146 0.00000 0.00000 0.00000 134 3S -0.00002 -0.53101 0.00001 -0.00001 -0.00002 135 3PX 0.00000 -0.00007 0.00000 -0.00001 -0.00001 136 3PY -0.88855 0.00001 0.29706 -0.00111 -0.12375 137 3PZ -0.00001 -0.07151 0.00000 -0.00001 -0.00001 138 4XX 0.00000 0.14703 0.00000 0.00000 0.00000 139 4YY -0.00001 -0.63250 0.00000 0.00000 0.00000 140 4ZZ 0.00001 0.52979 0.00000 0.00000 0.00000 141 4XY -0.47066 0.00001 0.12533 -0.02506 -0.10261 142 4XZ 0.00000 0.09019 0.00000 0.00000 0.00000 143 4YZ -0.48266 0.00001 0.05749 -0.02700 -0.11794 144 14 H 1S 0.00000 -0.24343 0.00000 0.00000 0.00000 145 2S 0.00000 0.11570 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 -0.00222 0.00000 0.00000 0.00000 147 2S 0.00000 0.07805 0.00000 0.00000 0.00000 148 16 C 1S 0.07449 0.01332 -0.03644 -0.01587 -0.01654 149 2S 0.24339 -0.00594 -0.36987 -0.30858 -0.06669 150 2PX 0.03198 -0.05493 -0.00004 0.01076 0.08087 151 2PY -0.10591 0.01050 -0.02469 -0.06025 -0.05450 152 2PZ -0.11159 -0.13804 0.04341 -0.06168 -0.01305 153 3S -2.59999 -0.39088 1.42209 0.68264 0.29405 154 3PX 0.04358 -0.16922 0.25221 0.25589 0.21367 155 3PY -1.30964 0.00677 0.66783 0.44110 0.28738 156 3PZ -0.37791 -0.48333 0.14704 0.07454 0.16010 157 4XX 0.22730 0.27148 0.00496 0.09082 0.07967 158 4YY -0.21169 -0.33331 0.03145 0.01640 -0.13321 159 4ZZ -0.01712 0.06980 0.03341 -0.05700 0.00015 160 4XY 0.19511 -0.20486 0.00381 0.07474 0.11111 161 4XZ -0.28298 0.18276 0.06595 -0.05620 -0.05755 162 4YZ 0.07488 -0.54500 -0.02151 -0.06192 0.02261 163 17 H 1S 0.06398 0.31851 -0.02097 -0.00086 0.07033 164 2S -0.37057 -0.16867 0.18806 0.14781 0.08071 165 18 C 1S -0.01798 -0.02359 0.00063 -0.00860 -0.00846 166 2S -0.29764 0.02446 0.03626 -0.09090 -0.03311 167 2PX -0.02407 -0.04180 0.01402 -0.01617 0.01638 168 2PY -0.15066 0.06798 0.04706 -0.03334 0.00938 169 2PZ -0.06013 -0.06608 0.05027 -0.01452 0.03276 170 3S 2.10308 0.66189 -0.72034 -0.06101 -0.06800 171 3PX -0.35442 -0.07480 0.05633 0.05801 -0.03108 172 3PY 0.31942 -0.21142 0.03092 0.07334 0.11128 173 3PZ -1.28217 -0.29753 0.42542 0.10164 -0.06026 174 4XX -0.07303 -0.09561 -0.00573 -0.04297 -0.03553 175 4YY -0.30238 -0.22516 0.09998 -0.03818 -0.00839 176 4ZZ 0.38341 0.33351 -0.09791 0.09781 0.00811 177 4XY -0.07720 -0.01286 0.02569 0.07792 0.01060 178 4XZ 0.08397 0.23614 0.01694 0.06596 -0.01498 179 4YZ 0.10667 -0.14878 -0.10543 -0.00935 -0.06521 180 19 H 1S -0.00406 -0.20037 -0.02798 -0.04307 -0.00577 181 2S 0.26724 0.08370 -0.02507 0.00729 0.07177 182 20 C 1S -0.07449 0.01333 0.03644 0.01587 0.01654 183 2S -0.24338 -0.00593 0.36987 0.30858 0.06668 184 2PX -0.03198 -0.05493 0.00004 -0.01076 -0.08087 185 2PY -0.10591 -0.01050 -0.02469 -0.06025 -0.05450 186 2PZ 0.11159 -0.13805 -0.04341 0.06168 0.01305 187 3S 2.60001 -0.39098 -1.42209 -0.68262 -0.29401 188 3PX -0.04358 -0.16923 -0.25221 -0.25589 -0.21367 189 3PY -1.30965 -0.00673 0.66783 0.44108 0.28735 190 3PZ 0.37791 -0.48335 -0.14703 -0.07454 -0.16009 191 4XX -0.22730 0.27149 -0.00497 -0.09082 -0.07968 192 4YY 0.21168 -0.33331 -0.03144 -0.01641 0.13321 193 4ZZ 0.01713 0.06979 -0.03341 0.05701 -0.00015 194 4XY 0.19511 0.20486 0.00381 0.07474 0.11111 195 4XZ 0.28299 0.18275 -0.06595 0.05620 0.05755 196 4YZ 0.07489 0.54499 -0.02152 -0.06192 0.02261 197 21 H 1S -0.06398 0.31851 0.02097 0.00086 -0.07033 198 2S 0.37057 -0.16868 -0.18805 -0.14780 -0.08070 199 22 C 1S 0.01798 -0.02359 -0.00062 0.00860 0.00846 200 2S 0.29764 0.02446 -0.03627 0.09089 0.03311 201 2PX 0.02407 -0.04181 -0.01402 0.01617 -0.01638 202 2PY -0.15066 -0.06798 0.04706 -0.03334 0.00938 203 2PZ 0.06013 -0.06608 -0.05027 0.01452 -0.03275 204 3S -2.10308 0.66197 0.72033 0.06101 0.06799 205 3PX 0.35443 -0.07482 -0.05633 -0.05800 0.03108 206 3PY 0.31943 0.21141 0.03091 0.07334 0.11128 207 3PZ 1.28218 -0.29757 -0.42542 -0.10164 0.06027 208 4XX 0.07303 -0.09561 0.00573 0.04297 0.03553 209 4YY 0.30237 -0.22516 -0.09998 0.03818 0.00839 210 4ZZ -0.38340 0.33351 0.09790 -0.09781 -0.00811 211 4XY -0.07720 0.01286 0.02569 0.07793 0.01060 212 4XZ -0.08397 0.23614 -0.01694 -0.06596 0.01498 213 4YZ 0.10667 0.14876 -0.10543 -0.00935 -0.06521 214 23 H 1S 0.00405 -0.20036 0.02798 0.04307 0.00578 215 2S -0.26724 0.08370 0.02507 -0.00729 -0.07177 196 197 198 199 200 V V V V V Eigenvalues -- 2.91143 2.95541 2.96966 2.97906 3.01621 1 1 C 1S 0.02568 -0.01679 0.01322 -0.01785 0.06288 2 2S 0.15000 -0.23212 -0.10969 0.27531 0.41618 3 2PX -0.01471 0.01716 -0.09776 0.06086 -0.05219 4 2PY 0.01165 -0.01099 -0.00101 -0.00495 0.02005 5 2PZ -0.00560 -0.01522 -0.08803 0.08353 0.01365 6 3S -1.01823 1.08826 0.00701 -0.06460 -3.63800 7 3PX -0.15003 0.10201 -0.08694 0.12967 -1.12050 8 3PY -0.16684 -0.06102 0.00063 0.14844 0.97829 9 3PZ -0.25766 0.43760 -0.10637 0.00795 -1.32116 10 4XX -0.01504 0.02827 -0.08497 0.04801 0.03471 11 4YY -0.04616 0.01315 0.10753 -0.17944 -0.16578 12 4ZZ 0.07278 0.01961 -0.05015 0.03115 0.10452 13 4XY -0.10612 0.04413 -0.08292 0.08805 -0.06304 14 4XZ -0.06121 0.02729 -0.15766 0.17551 -0.22966 15 4YZ -0.02646 0.00445 -0.09581 0.08276 -0.06017 16 2 C 1S -0.02568 0.01679 0.01322 -0.01785 -0.06288 17 2S -0.15000 0.23212 -0.10969 0.27530 -0.41619 18 2PX 0.01471 -0.01716 -0.09776 0.06086 0.05218 19 2PY 0.01165 -0.01099 0.00101 0.00495 0.02006 20 2PZ 0.00560 0.01522 -0.08803 0.08352 -0.01365 21 3S 1.01823 -1.08825 0.00699 -0.06456 3.63800 22 3PX 0.15003 -0.10201 -0.08695 0.12968 1.12049 23 3PY -0.16684 -0.06103 -0.00065 -0.14842 0.97830 24 3PZ 0.25766 -0.43760 -0.10637 0.00796 1.32116 25 4XX 0.01504 -0.02827 -0.08497 0.04801 -0.03470 26 4YY 0.04616 -0.01315 0.10752 -0.17944 0.16579 27 4ZZ -0.07278 -0.01961 -0.05015 0.03115 -0.10452 28 4XY -0.10612 0.04413 0.08291 -0.08804 -0.06304 29 4XZ 0.06122 -0.02729 -0.15766 0.17551 0.22966 30 4YZ -0.02646 0.00445 0.09580 -0.08276 -0.06016 31 3 C 1S 0.00334 -0.00622 -0.01038 -0.00301 0.04055 32 2S -0.13062 -0.07872 -0.48553 -0.69403 -0.60907 33 2PX 0.00079 -0.02299 -0.14272 -0.05319 -0.09405 34 2PY 0.10193 -0.00648 0.52641 0.70000 0.74562 35 2PZ 0.03453 -0.03043 -0.01009 0.11091 0.08560 36 3S -0.37465 0.47457 -0.76205 -1.19422 -4.28883 37 3PX 0.55184 -0.30227 0.02619 -0.13906 0.23899 38 3PY 0.21022 0.26156 0.55703 0.63806 -0.84083 39 3PZ 0.53277 -0.13857 0.08824 -0.00038 0.02315 40 4XX 0.01536 0.01661 0.26335 0.17351 0.26601 41 4YY -0.03604 0.02271 -0.38461 -0.45279 -0.51069 42 4ZZ 0.03359 -0.00573 0.08673 0.29922 0.30138 43 4XY 0.05599 -0.01694 -0.41843 0.45928 0.19624 44 4XZ -0.04532 0.03421 0.01175 -0.05274 -0.21288 45 4YZ 0.02244 0.00484 -0.54299 0.29933 -0.09821 46 4 C 1S 0.00802 0.00017 -0.00851 0.00652 -0.05062 47 2S 0.07617 -0.07696 0.14034 -0.08407 -0.30554 48 2PX 0.00141 0.02252 -0.08721 0.06650 0.01444 49 2PY -0.02008 0.03981 0.01528 0.00106 0.03657 50 2PZ -0.00331 0.01307 -0.09486 0.07311 -0.01216 51 3S -0.56602 0.05854 -0.00495 0.12012 3.34503 52 3PX 0.20475 -0.03179 -0.03030 0.03336 -1.09858 53 3PY 0.16300 -0.07527 -0.17858 -0.07517 1.08814 54 3PZ 0.29150 -0.02644 -0.03393 0.02268 -1.17706 55 4XX 0.01850 -0.00785 0.09883 -0.02988 -0.08397 56 4YY -0.03603 0.06972 -0.17051 0.05948 0.13785 57 4ZZ -0.00334 -0.00099 0.13017 -0.05094 -0.04831 58 4XY 0.00074 -0.02363 0.09514 -0.05071 0.04298 59 4XZ -0.03710 0.00761 0.18127 -0.08847 0.17304 60 4YZ -0.01737 0.01703 0.09100 -0.05632 0.01319 61 5 C 1S -0.00802 -0.00017 -0.00851 0.00653 0.05062 62 2S -0.07617 0.07697 0.14034 -0.08407 0.30555 63 2PX -0.00141 -0.02253 -0.08721 0.06650 -0.01444 64 2PY -0.02008 0.03981 -0.01528 -0.00106 0.03657 65 2PZ 0.00331 -0.01307 -0.09486 0.07311 0.01216 66 3S 0.56602 -0.05854 -0.00491 0.12009 -3.34504 67 3PX -0.20475 0.03180 -0.03031 0.03336 1.09857 68 3PY 0.16299 -0.07527 0.17857 0.07519 1.08815 69 3PZ -0.29150 0.02644 -0.03395 0.02269 1.17706 70 4XX -0.01850 0.00785 0.09883 -0.02988 0.08397 71 4YY 0.03603 -0.06972 -0.17051 0.05948 -0.13785 72 4ZZ 0.00334 0.00099 0.13016 -0.05094 0.04831 73 4XY 0.00074 -0.02363 -0.09514 0.05071 0.04298 74 4XZ 0.03710 -0.00761 0.18127 -0.08847 -0.17304 75 4YZ -0.01737 0.01703 -0.09100 0.05632 0.01319 76 6 C 1S -0.00334 0.00622 -0.01038 -0.00301 -0.04055 77 2S 0.13064 0.07872 -0.48553 -0.69403 0.60906 78 2PX -0.00079 0.02299 -0.14272 -0.05318 0.09404 79 2PY 0.10193 -0.00649 -0.52641 -0.69999 0.74562 80 2PZ -0.03453 0.03043 -0.01010 0.11091 -0.08560 81 3S 0.37465 -0.47458 -0.76209 -1.19419 4.28884 82 3PX -0.55184 0.30227 0.02619 -0.13905 -0.23897 83 3PY 0.21022 0.26156 -0.55702 -0.63808 -0.84084 84 3PZ -0.53277 0.13857 0.08823 -0.00038 -0.02314 85 4XX -0.01536 -0.01661 0.26334 0.17352 -0.26602 86 4YY 0.03604 -0.02271 -0.38460 -0.45280 0.51070 87 4ZZ -0.03359 0.00574 0.08673 0.29922 -0.30138 88 4XY 0.05598 -0.01694 0.41844 -0.45927 0.19624 89 4XZ 0.04531 -0.03421 0.01174 -0.05274 0.21288 90 4YZ 0.02244 0.00484 0.54300 -0.29933 -0.09821 91 7 H 1S 0.03378 -0.03054 -0.01534 0.00493 -0.03944 92 2S -0.01213 0.06920 -0.05636 0.04962 -0.38768 93 8 H 1S -0.03378 0.03053 -0.01534 0.00493 0.03944 94 2S 0.01213 -0.06920 -0.05636 0.04962 0.38768 95 9 H 1S 0.01378 -0.01459 -0.02522 -0.01481 0.02904 96 2S -0.03990 0.00880 0.03779 -0.03511 0.45838 97 10 H 1S -0.01378 0.01459 -0.02522 -0.01481 -0.02904 98 2S 0.03990 -0.00880 0.03780 -0.03511 -0.45838 99 11 O 1S -0.00647 0.00183 -0.00477 -0.00772 -0.01426 100 2S -0.12268 -0.02134 -0.36320 -0.47270 -0.53507 101 2PX 0.00695 -0.01040 -0.02799 -0.01349 -0.00971 102 2PY 0.01185 -0.00614 0.12504 0.17818 0.18043 103 2PZ 0.01707 0.00114 -0.00162 0.02928 0.01398 104 3S 0.47136 0.06197 1.32809 1.76334 1.82946 105 3PX -0.13231 0.06405 -0.29234 -0.02312 -0.20882 106 3PY 0.22690 0.00114 0.76539 1.04596 1.27667 107 3PZ -0.08790 0.02175 -0.09682 0.22048 0.11139 108 4XX -0.07063 0.00806 -0.12685 -0.33400 -0.35268 109 4YY 0.13268 -0.00322 0.60845 0.87189 0.98310 110 4ZZ -0.06481 0.01017 -0.26564 -0.25300 -0.36160 111 4XY -0.06344 0.02361 -0.46775 0.04269 -0.20715 112 4XZ 0.00423 0.00331 -0.00728 -0.03542 -0.00011 113 4YZ -0.01518 0.00900 -0.23369 0.36776 0.14883 114 12 O 1S 0.00647 -0.00183 -0.00477 -0.00772 0.01426 115 2S 0.12269 0.02134 -0.36321 -0.47270 0.53507 116 2PX -0.00695 0.01040 -0.02799 -0.01349 0.00971 117 2PY 0.01185 -0.00615 -0.12504 -0.17818 0.18043 118 2PZ -0.01707 -0.00114 -0.00162 0.02928 -0.01399 119 3S -0.47138 -0.06196 1.32810 1.76333 -1.82946 120 3PX 0.13231 -0.06405 -0.29233 -0.02311 0.20880 121 3PY 0.22691 0.00114 -0.76540 -1.04595 1.27667 122 3PZ 0.08790 -0.02175 -0.09682 0.22048 -0.11139 123 4XX 0.07063 -0.00806 -0.12686 -0.33399 0.35268 124 4YY -0.13269 0.00323 0.60847 0.87188 -0.98310 125 4ZZ 0.06481 -0.01018 -0.26565 -0.25300 0.36160 126 4XY -0.06344 0.02361 0.46774 -0.04271 -0.20713 127 4XZ -0.00423 -0.00331 -0.00729 -0.03542 0.00011 128 4YZ -0.01518 0.00900 0.23369 -0.36776 0.14884 129 13 C 1S 0.00000 0.00000 -0.00044 -0.00363 0.00000 130 2S 0.00000 -0.00001 0.02551 -0.08936 0.00000 131 2PX 0.00000 0.00000 0.01744 -0.02029 0.00000 132 2PY -0.28620 -0.04683 0.00000 0.00000 0.03602 133 2PZ 0.00000 0.00000 0.00004 -0.01061 0.00000 134 3S -0.00001 0.00000 0.06211 0.07973 0.00001 135 3PX 0.00000 0.00000 -0.06574 0.06516 0.00000 136 3PY -0.96663 0.02908 -0.00001 0.00000 0.13547 137 3PZ 0.00000 0.00000 0.06855 0.03840 0.00001 138 4XX 0.00000 0.00000 0.00076 0.02004 0.00000 139 4YY 0.00000 -0.00001 -0.00047 0.01061 0.00000 140 4ZZ 0.00000 0.00001 -0.01261 -0.00167 0.00000 141 4XY -0.43750 -0.14164 0.00000 0.00000 0.06723 142 4XZ 0.00000 0.00000 0.00526 -0.00152 0.00000 143 4YZ -0.42022 0.02651 0.00000 0.00000 0.05561 144 14 H 1S 0.00000 0.00000 0.01826 -0.00058 0.00000 145 2S 0.00000 0.00000 0.00340 0.02084 0.00000 146 15 H 1S 0.00000 0.00000 -0.01611 -0.01380 0.00000 147 2S 0.00000 0.00000 -0.03144 0.03776 0.00000 148 16 C 1S 0.00975 -0.00632 -0.00046 -0.00007 0.01156 149 2S 0.22185 -0.35137 -0.01029 -0.11046 -0.10547 150 2PX 0.11641 -0.03333 -0.00723 -0.01627 -0.06529 151 2PY 0.02482 -0.03897 0.00914 -0.01793 0.01019 152 2PZ 0.31904 -0.08807 -0.00421 0.00380 -0.01749 153 3S -0.13620 0.78867 -0.00352 0.12040 -0.08464 154 3PX 0.42540 0.18307 0.05073 0.09731 -0.06605 155 3PY -0.58107 0.45791 -0.07020 0.07236 -0.11613 156 3PZ 0.93062 0.12403 -0.01566 0.02083 -0.25733 157 4XX -0.10256 0.02239 0.01315 0.03950 0.01527 158 4YY -0.26750 0.39109 0.00345 0.00282 0.09655 159 4ZZ 0.40937 -0.32499 -0.01697 0.01206 -0.01880 160 4XY 0.28823 0.12165 -0.00080 0.00573 -0.07821 161 4XZ 0.04164 -0.10539 0.00261 -0.00837 0.00073 162 4YZ 0.49098 0.32638 0.00787 0.00240 -0.04432 163 17 H 1S -0.04026 -0.23214 -0.01447 -0.00315 -0.04584 164 2S -0.06227 0.23098 -0.02386 0.03831 -0.05676 165 18 C 1S -0.00067 0.00259 -0.00076 0.00294 0.00953 166 2S -0.01549 0.18537 -0.01088 0.00807 0.01865 167 2PX 0.05361 0.00919 -0.00756 -0.00742 -0.01917 168 2PY 0.40005 0.04875 0.00652 0.02076 -0.06662 169 2PZ 0.23863 0.01329 -0.00206 0.00543 -0.02696 170 3S 0.42983 -0.83662 0.03766 -0.06562 -0.24763 171 3PX 0.09995 0.01315 -0.00104 0.01524 -0.03785 172 3PY 1.16476 -0.25394 -0.01157 -0.05968 -0.37046 173 3PZ 0.61367 0.35641 -0.01639 0.06578 -0.10550 174 4XX -0.03583 -0.00833 0.00136 0.01787 0.04055 175 4YY 0.71107 0.20260 -0.00562 -0.00662 -0.12650 176 4ZZ -0.63230 -0.21192 0.01078 0.00346 0.10385 177 4XY -0.10819 0.24379 -0.00226 -0.00226 -0.02069 178 4XZ -0.16520 -0.08662 0.00820 0.00752 0.03288 179 4YZ -0.26124 0.81281 -0.00042 0.00642 0.06181 180 19 H 1S -0.01969 0.39590 -0.01034 -0.01596 -0.00267 181 2S 0.04442 -0.26191 0.00466 -0.01921 -0.01679 182 20 C 1S -0.00975 0.00632 -0.00046 -0.00007 -0.01156 183 2S -0.22185 0.35137 -0.01030 -0.11046 0.10547 184 2PX -0.11641 0.03333 -0.00723 -0.01627 0.06529 185 2PY 0.02482 -0.03897 -0.00914 0.01793 0.01019 186 2PZ -0.31904 0.08807 -0.00421 0.00380 0.01749 187 3S 0.13620 -0.78869 -0.00351 0.12042 0.08463 188 3PX -0.42541 -0.18308 0.05073 0.09731 0.06605 189 3PY -0.58108 0.45791 0.07020 -0.07238 -0.11611 190 3PZ -0.93062 -0.12403 -0.01567 0.02083 0.25733 191 4XX 0.10256 -0.02239 0.01315 0.03950 -0.01527 192 4YY 0.26750 -0.39109 0.00346 0.00282 -0.09655 193 4ZZ -0.40938 0.32499 -0.01698 0.01206 0.01880 194 4XY 0.28823 0.12166 0.00080 -0.00573 -0.07822 195 4XZ -0.04165 0.10540 0.00260 -0.00837 -0.00073 196 4YZ 0.49098 0.32639 -0.00787 -0.00240 -0.04432 197 21 H 1S 0.04026 0.23215 -0.01447 -0.00315 0.04583 198 2S 0.06226 -0.23098 -0.02385 0.03831 0.05675 199 22 C 1S 0.00067 -0.00259 -0.00076 0.00294 -0.00953 200 2S 0.01550 -0.18537 -0.01088 0.00807 -0.01865 201 2PX -0.05361 -0.00919 -0.00756 -0.00742 0.01917 202 2PY 0.40005 0.04875 -0.00652 -0.02076 -0.06662 203 2PZ -0.23864 -0.01329 -0.00206 0.00543 0.02696 204 3S -0.42983 0.83663 0.03764 -0.06564 0.24763 205 3PX -0.09995 -0.01315 -0.00104 0.01524 0.03785 206 3PY 1.16476 -0.25394 0.01159 0.05969 -0.37046 207 3PZ -0.61367 -0.35641 -0.01639 0.06579 0.10550 208 4XX 0.03583 0.00833 0.00136 0.01787 -0.04055 209 4YY -0.71108 -0.20260 -0.00563 -0.00662 0.12650 210 4ZZ 0.63231 0.21192 0.01079 0.00346 -0.10385 211 4XY -0.10820 0.24379 0.00226 0.00226 -0.02069 212 4XZ 0.16520 0.08663 0.00820 0.00752 -0.03288 213 4YZ -0.26124 0.81282 0.00041 -0.00642 0.06181 214 23 H 1S 0.01969 -0.39590 -0.01034 -0.01596 0.00267 215 2S -0.04442 0.26191 0.00466 -0.01921 0.01679 201 202 203 204 205 V V V V V Eigenvalues -- 3.18202 3.25400 3.99318 4.03186 4.08890 1 1 C 1S 0.01458 0.06011 0.03709 0.04317 -0.12878 2 2S 0.21115 0.09397 -0.11879 0.09085 0.96152 3 2PX 0.09451 -0.06000 -0.04499 -0.07724 0.01405 4 2PY 0.28127 0.10235 -0.01392 -0.01479 -0.06828 5 2PZ 0.10440 -0.01009 -0.01961 0.00069 0.02493 6 3S -1.56540 -2.54421 -0.26115 -1.74475 0.14666 7 3PX 0.11880 -0.44175 -0.14362 -0.42209 -0.31301 8 3PY 1.06746 0.88962 0.13378 0.73975 0.33033 9 3PZ -0.06781 -0.70561 -0.20120 -0.76078 -0.38249 10 4XX 0.25339 0.16202 0.06722 0.03195 -0.52159 11 4YY -0.54800 -0.39554 0.11011 0.05179 -0.49152 12 4ZZ 0.19902 0.30317 0.09477 0.06374 -0.53601 13 4XY 0.12596 -0.35106 -0.00934 -0.06407 0.02486 14 4XZ 0.21285 -0.02170 -0.09122 -0.13861 -0.07393 15 4YZ 0.16366 -0.30526 -0.03123 -0.03244 -0.00077 16 2 C 1S -0.01458 -0.06011 0.03710 -0.04317 -0.12878 17 2S -0.21115 -0.09397 -0.11879 -0.09088 0.96151 18 2PX -0.09451 0.06000 -0.04499 0.07724 0.01405 19 2PY 0.28127 0.10235 0.01392 -0.01479 0.06828 20 2PZ -0.10440 0.01009 -0.01961 -0.00069 0.02493 21 3S 1.56541 2.54421 -0.26126 1.74474 0.14674 22 3PX -0.11881 0.44174 -0.14364 0.42208 -0.31298 23 3PY 1.06746 0.88962 -0.13382 0.73975 -0.33030 24 3PZ 0.06781 0.70560 -0.20124 0.76077 -0.38246 25 4XX -0.25339 -0.16201 0.06723 -0.03193 -0.52159 26 4YY 0.54800 0.39554 0.11013 -0.05178 -0.49152 27 4ZZ -0.19902 -0.30317 0.09478 -0.06372 -0.53601 28 4XY 0.12596 -0.35106 0.00934 -0.06406 -0.02486 29 4XZ -0.21285 0.02170 -0.09123 0.13860 -0.07392 30 4YZ 0.16366 -0.30526 0.03123 -0.03243 0.00077 31 3 C 1S 0.00066 0.05017 0.14170 -0.16364 -0.07265 32 2S 0.03519 0.17471 -1.15014 1.42488 0.14735 33 2PX -0.09130 0.02474 -0.02710 0.03060 -0.01553 34 2PY 0.01784 -0.25335 -0.06515 0.06597 0.09394 35 2PZ -0.08350 -0.03817 -0.01623 0.01979 0.01805 36 3S -0.31515 -1.90826 -1.22035 0.25137 -1.10355 37 3PX -0.04091 0.04855 -0.18393 0.21447 -0.23574 38 3PY -0.14478 -1.12068 1.35795 -1.95017 1.78149 39 3PZ -0.11145 -0.21986 0.02654 -0.17155 0.09710 40 4XX 0.10005 -0.22298 0.61923 -0.77270 -0.10778 41 4YY -0.05357 0.53941 0.71922 -0.88453 -0.20992 42 4ZZ -0.07992 -0.22351 0.59649 -0.72500 -0.11170 43 4XY -0.52595 -0.04476 -0.04868 0.06933 -0.00021 44 4XZ 0.01224 -0.44930 -0.03276 -0.01657 0.05365 45 4YZ -0.55630 0.00420 -0.01390 0.00153 0.00062 46 4 C 1S -0.00267 -0.06137 0.14058 -0.13649 -0.16052 47 2S 0.01212 0.07263 -0.84229 0.57703 1.24622 48 2PX -0.08634 -0.00500 0.01049 -0.01422 -0.01204 49 2PY -0.34565 0.16204 -0.00449 -0.10769 0.09943 50 2PZ -0.09936 -0.02683 0.00863 -0.01945 -0.01246 51 3S -0.80402 2.54377 -0.28167 2.18394 0.30111 52 3PX -0.18023 -0.70102 0.17407 -0.61934 0.29349 53 3PY -0.83424 0.72543 -0.26691 0.84859 -0.41936 54 3PZ -0.23252 -0.74058 0.18225 -0.61780 0.29073 55 4XX 0.19414 -0.30418 0.51108 -0.43730 -0.65697 56 4YY -0.55187 0.39918 0.49243 -0.53316 -0.65245 57 4ZZ 0.25553 -0.24438 0.49698 -0.41594 -0.65773 58 4XY 0.16473 0.36609 -0.01127 0.02406 0.01295 59 4XZ 0.23718 0.00108 -0.06949 0.10714 -0.06384 60 4YZ 0.14911 0.46058 -0.01546 0.04978 0.01698 61 5 C 1S 0.00267 0.06137 0.14057 0.13651 -0.16051 62 2S -0.01212 -0.07263 -0.84224 -0.57712 1.24621 63 2PX 0.08635 0.00500 0.01049 0.01422 -0.01204 64 2PY -0.34565 0.16204 0.00450 -0.10769 -0.09943 65 2PZ 0.09936 0.02683 0.00862 0.01945 -0.01246 66 3S 0.80402 -2.54377 -0.28153 -2.18397 0.30105 67 3PX 0.18023 0.70102 0.17403 0.61934 0.29350 68 3PY -0.83424 0.72544 0.26686 0.84861 0.41939 69 3PZ 0.23252 0.74059 0.18221 0.61781 0.29074 70 4XX -0.19414 0.30417 0.51105 0.43735 -0.65696 71 4YY 0.55187 -0.39917 0.49239 0.53321 -0.65244 72 4ZZ -0.25553 0.24438 0.49695 0.41599 -0.65772 73 4XY 0.16472 0.36610 0.01126 0.02406 -0.01295 74 4XZ -0.23718 -0.00108 -0.06948 -0.10714 -0.06384 75 4YZ 0.14911 0.46058 0.01545 0.04978 -0.01698 76 6 C 1S -0.00066 -0.05017 0.14169 0.16365 -0.07264 77 2S -0.03519 -0.17471 -1.15003 -1.42497 0.14731 78 2PX 0.09129 -0.02474 -0.02710 -0.03060 -0.01553 79 2PY 0.01784 -0.25335 0.06514 0.06598 -0.09394 80 2PZ 0.08351 0.03817 -0.01623 -0.01979 0.01805 81 3S 0.31514 1.90826 -1.22031 -0.25145 -1.10353 82 3PX 0.04091 -0.04853 -0.18389 -0.21445 -0.23573 83 3PY -0.14478 -1.12069 -1.35782 -1.95025 -1.78154 84 3PZ 0.11145 0.21987 0.02652 0.17155 0.09710 85 4XX -0.10003 0.22298 0.61917 0.77275 -0.10776 86 4YY 0.05355 -0.53941 0.71915 0.88460 -0.20990 87 4ZZ 0.07992 0.22351 0.59644 0.72505 -0.11169 88 4XY -0.52595 -0.04475 0.04867 0.06934 0.00021 89 4XZ -0.01223 0.44930 -0.03276 0.01656 0.05365 90 4YZ -0.55630 0.00421 0.01390 0.00154 -0.00061 91 7 H 1S 0.02227 -0.18488 -0.01873 -0.04037 0.01854 92 2S -0.06467 -0.07466 -0.06148 -0.23341 -0.33906 93 8 H 1S -0.02227 0.18487 -0.01873 0.04037 0.01854 94 2S 0.06467 0.07466 -0.06149 0.23341 -0.33905 95 9 H 1S 0.00715 0.24930 -0.07866 0.07976 0.04559 96 2S -0.01104 0.11179 -0.05466 0.19016 -0.38367 97 10 H 1S -0.00715 -0.24930 -0.07866 -0.07977 0.04559 98 2S 0.01104 -0.11179 -0.05465 -0.19016 -0.38368 99 11 O 1S 0.00025 -0.01563 -0.24875 0.24654 -0.27764 100 2S -0.01225 -0.11218 -0.31582 0.32532 -0.32039 101 2PX -0.00169 0.03432 0.02624 -0.02631 0.01143 102 2PY 0.00068 -0.22010 -0.19706 0.21137 -0.08384 103 2PZ -0.00356 -0.02531 -0.01944 0.01807 -0.00751 104 3S 0.01618 -0.10187 3.39487 -3.46624 3.99251 105 3PX -0.23051 0.02081 -0.10438 0.10186 -0.14072 106 3PY 0.02774 -0.03367 0.70900 -0.64965 0.95781 107 3PZ -0.21935 0.02481 0.08139 -0.05650 0.09243 108 4XX 0.07781 -0.03511 -0.84449 0.82277 -0.95288 109 4YY 0.00231 -0.27042 -0.77924 0.81806 -0.71736 110 4ZZ -0.06978 -0.01619 -0.84421 0.82858 -0.95358 111 4XY -0.34306 0.05249 -0.02020 0.01506 -0.04624 112 4XZ 0.01625 0.08371 -0.00927 0.01714 -0.03739 113 4YZ -0.34643 -0.00799 0.00968 0.00139 0.02055 114 12 O 1S -0.00025 0.01563 -0.24873 -0.24655 -0.27764 115 2S 0.01225 0.11218 -0.31579 -0.32534 -0.32040 116 2PX 0.00169 -0.03432 0.02623 0.02631 0.01143 117 2PY 0.00068 -0.22011 0.19704 0.21138 0.08384 118 2PZ 0.00356 0.02531 -0.01943 -0.01807 -0.00751 119 3S -0.01617 0.10187 3.39461 3.46643 3.99256 120 3PX 0.23051 -0.02081 -0.10436 -0.10185 -0.14071 121 3PY 0.02774 -0.03368 -0.70895 -0.64969 -0.95782 122 3PZ 0.21935 -0.02481 0.08138 0.05650 0.09243 123 4XX -0.07781 0.03511 -0.84442 -0.82281 -0.95289 124 4YY -0.00231 0.27042 -0.77918 -0.81810 -0.71737 125 4ZZ 0.06978 0.01619 -0.84414 -0.82863 -0.95359 126 4XY -0.34306 0.05249 0.02020 0.01506 0.04624 127 4XZ -0.01625 -0.08371 -0.00927 -0.01714 -0.03739 128 4YZ -0.34643 -0.00799 -0.00968 0.00139 -0.02055 129 13 C 1S 0.00000 0.00000 -0.01457 0.00000 0.07360 130 2S 0.00000 0.00000 0.00298 0.00000 -0.29191 131 2PX 0.00000 0.00000 0.01115 0.00000 0.01788 132 2PY -0.02106 0.00551 0.00000 -0.01717 0.00000 133 2PZ 0.00000 0.00000 -0.02239 0.00000 -0.01912 134 3S 0.00000 0.00000 0.40108 0.00002 -0.46638 135 3PX 0.00000 0.00000 -0.03154 0.00000 -0.22643 136 3PY 0.01239 0.06937 -0.00001 0.13171 0.00000 137 3PZ 0.00000 0.00000 0.23239 0.00001 -0.01304 138 4XX 0.00000 0.00000 -0.01913 0.00000 0.23971 139 4YY 0.00000 0.00000 -0.06544 -0.00001 0.23597 140 4ZZ 0.00000 0.00000 -0.03807 0.00000 0.22471 141 4XY 0.02140 0.03734 0.00000 -0.02147 0.00000 142 4XZ 0.00000 0.00000 -0.00858 0.00000 -0.03581 143 4YZ 0.00294 0.01555 0.00000 -0.02734 0.00000 144 14 H 1S 0.00000 0.00000 0.01850 0.00000 0.01239 145 2S 0.00000 0.00000 0.03555 0.00000 0.05904 146 15 H 1S 0.00000 0.00000 -0.06305 0.00000 -0.03609 147 2S 0.00000 0.00000 -0.03061 0.00000 -0.00764 148 16 C 1S 0.00563 0.01334 0.04479 -0.08287 0.05872 149 2S 0.03424 -0.02261 -0.31526 0.56146 -0.41424 150 2PX -0.01596 -0.03210 -0.03072 0.01285 -0.00756 151 2PY 0.01900 0.00914 -0.00300 -0.00875 0.01945 152 2PZ 0.00168 0.00731 -0.06466 0.06439 0.04780 153 3S -0.16943 -0.27166 -0.17503 0.25614 -0.06862 154 3PX -0.02367 -0.08892 0.12236 -0.09631 0.04073 155 3PY -0.22676 -0.15977 -0.12343 0.14378 0.12466 156 3PZ -0.02770 -0.18622 -0.00012 -0.08815 0.01404 157 4XX 0.00388 0.00969 0.19024 -0.37020 0.21964 158 4YY 0.01401 0.05253 0.18605 -0.30088 0.24907 159 4ZZ -0.00550 0.01811 0.09390 -0.28284 0.28507 160 4XY -0.02579 -0.03689 0.00810 0.00226 0.02455 161 4XZ 0.01553 0.00915 -0.02549 0.02666 0.03642 162 4YZ 0.01952 -0.01390 -0.03010 0.01496 0.04095 163 17 H 1S -0.02836 -0.01909 -0.03670 0.04255 -0.02745 164 2S -0.06045 -0.05694 0.00691 -0.02594 0.10735 165 18 C 1S -0.00028 0.00213 0.14897 -0.09831 -0.07409 166 2S -0.01356 -0.00673 -1.04685 0.78184 0.49575 167 2PX -0.00118 -0.00200 -0.03722 0.02858 0.01170 168 2PY 0.00721 -0.01026 -0.02909 -0.09658 0.05668 169 2PZ -0.00282 -0.00637 -0.01537 -0.02042 0.05742 170 3S 0.25209 0.15532 -0.23740 0.06538 0.18062 171 3PX -0.02751 -0.05665 0.03584 -0.09063 -0.00849 172 3PY 0.13712 -0.08527 -0.01770 -0.11565 -0.06934 173 3PZ -0.06778 -0.16486 -0.03025 0.11018 0.02329 174 4XX 0.00134 0.00772 0.58384 -0.38440 -0.28610 175 4YY 0.02589 -0.02074 0.53969 -0.51593 -0.27446 176 4ZZ -0.01177 0.02740 0.63009 -0.41911 -0.34924 177 4XY 0.00033 -0.01395 -0.00352 -0.01337 -0.00837 178 4XZ 0.00299 0.00989 0.01551 -0.00427 -0.00276 179 4YZ 0.00799 0.01805 -0.00242 0.03444 -0.02504 180 19 H 1S 0.01019 0.00375 -0.10311 0.08279 0.01602 181 2S 0.02536 0.02258 0.12710 -0.14410 -0.06647 182 20 C 1S -0.00563 -0.01334 0.04478 0.08287 0.05872 183 2S -0.03424 0.02261 -0.31522 -0.56147 -0.41425 184 2PX 0.01596 0.03210 -0.03072 -0.01285 -0.00756 185 2PY 0.01900 0.00914 0.00300 -0.00875 -0.01945 186 2PZ -0.00169 -0.00731 -0.06466 -0.06440 0.04780 187 3S 0.16943 0.27165 -0.17502 -0.25616 -0.06862 188 3PX 0.02367 0.08892 0.12235 0.09632 0.04073 189 3PY -0.22676 -0.15976 0.12342 0.14380 -0.12467 190 3PZ 0.02770 0.18622 -0.00013 0.08814 0.01404 191 4XX -0.00388 -0.00969 0.19021 0.37021 0.21965 192 4YY -0.01401 -0.05253 0.18603 0.30089 0.24908 193 4ZZ 0.00550 -0.01811 0.09388 0.28284 0.28508 194 4XY -0.02579 -0.03689 -0.00809 0.00226 -0.02455 195 4XZ -0.01553 -0.00915 -0.02549 -0.02666 0.03642 196 4YZ 0.01952 -0.01389 0.03010 0.01497 -0.04095 197 21 H 1S 0.02836 0.01909 -0.03670 -0.04255 -0.02745 198 2S 0.06045 0.05694 0.00691 0.02593 0.10736 199 22 C 1S 0.00028 -0.00213 0.14897 0.09832 -0.07408 200 2S 0.01356 0.00673 -1.04681 -0.78192 0.49574 201 2PX 0.00118 0.00200 -0.03722 -0.02859 0.01170 202 2PY 0.00721 -0.01026 0.02910 -0.09658 -0.05668 203 2PZ 0.00282 0.00637 -0.01537 0.02042 0.05742 204 3S -0.25209 -0.15532 -0.23739 -0.06539 0.18061 205 3PX 0.02751 0.05665 0.03584 0.09063 -0.00848 206 3PY 0.13712 -0.08527 0.01771 -0.11565 0.06934 207 3PZ 0.06778 0.16486 -0.03025 -0.11018 0.02329 208 4XX -0.00134 -0.00772 0.58382 0.38445 -0.28609 209 4YY -0.02589 0.02074 0.53966 0.51598 -0.27445 210 4ZZ 0.01177 -0.02740 0.63007 0.41917 -0.34923 211 4XY 0.00033 -0.01395 0.00352 -0.01337 0.00837 212 4XZ -0.00299 -0.00989 0.01551 0.00427 -0.00276 213 4YZ 0.00799 0.01805 0.00242 0.03444 0.02504 214 23 H 1S -0.01019 -0.00375 -0.10311 -0.08280 0.01602 215 2S -0.02536 -0.02258 0.12709 0.14411 -0.06647 206 207 208 209 210 V V V V V Eigenvalues -- 4.18659 4.25660 4.30665 4.35409 4.36554 1 1 C 1S 0.17925 -0.10872 0.09230 -0.14855 -0.05894 2 2S -1.06077 0.70127 -0.26005 0.94499 0.48660 3 2PX 0.00052 0.03438 -0.04944 -0.00352 -0.03867 4 2PY 0.05570 -0.02112 -0.02889 0.09782 0.08697 5 2PZ 0.02204 -0.02315 0.00805 -0.01812 0.01291 6 3S -0.66781 0.19886 -0.37282 0.40801 -1.03240 7 3PX 0.04465 0.03125 0.18863 0.18885 -0.29570 8 3PY -0.18184 0.08215 0.04536 0.50522 0.68589 9 3PZ 0.04309 0.01224 -0.08629 -0.13246 -0.62532 10 4XX 0.71187 -0.44945 0.22566 -0.61397 -0.24331 11 4YY 0.61678 -0.38611 0.25222 -0.68815 -0.35873 12 4ZZ 0.70253 -0.40290 0.29241 -0.60655 -0.25622 13 4XY 0.01666 0.02780 -0.04848 0.00582 -0.00564 14 4XZ 0.00158 0.03007 -0.00774 0.01768 -0.03808 15 4YZ 0.00580 0.04006 -0.03699 0.00901 0.02557 16 2 C 1S 0.17925 -0.10872 0.09230 0.14854 0.05894 17 2S -1.06079 0.70125 -0.26005 -0.94498 -0.48660 18 2PX 0.00052 0.03438 -0.04944 0.00352 0.03867 19 2PY -0.05570 0.02112 0.02889 0.09782 0.08697 20 2PZ 0.02203 -0.02315 0.00805 0.01812 -0.01291 21 3S -0.66779 0.19890 -0.37285 -0.40799 1.03241 22 3PX 0.04464 0.03126 0.18862 -0.18886 0.29569 23 3PY 0.18185 -0.08213 -0.04538 0.50521 0.68589 24 3PZ 0.04310 0.01226 -0.08631 0.13246 0.62532 25 4XX 0.71188 -0.44944 0.22565 0.61397 0.24331 26 4YY 0.61679 -0.38610 0.25221 0.68814 0.35873 27 4ZZ 0.70253 -0.40289 0.29240 0.60654 0.25621 28 4XY -0.01666 -0.02780 0.04848 0.00583 -0.00564 29 4XZ 0.00158 0.03007 -0.00774 -0.01768 0.03808 30 4YZ -0.00579 -0.04006 0.03699 0.00901 0.02557 31 3 C 1S 0.01091 -0.12863 0.18773 0.01380 0.07693 32 2S -0.05250 0.73207 -1.08970 -0.02171 0.08140 33 2PX 0.08107 -0.00014 0.02182 0.09143 -0.00402 34 2PY -0.00375 0.06332 -0.06029 -0.03780 -0.06820 35 2PZ 0.06016 -0.02595 0.02835 0.03067 -0.04059 36 3S 0.21601 0.15854 -0.81742 0.71325 0.99538 37 3PX -0.14075 -0.03585 -0.02146 -0.35913 0.37153 38 3PY -0.41172 0.24079 -0.08630 -1.16448 -2.37548 39 3PZ -0.12407 0.13113 -0.05066 -0.41885 -0.13921 40 4XX 0.03057 -0.46026 0.72056 -0.00052 0.06615 41 4YY 0.02661 -0.58616 0.85044 0.05671 0.20416 42 4ZZ 0.05472 -0.44559 0.73391 0.04058 0.05538 43 4XY 0.09639 0.01251 0.01513 0.06603 -0.05465 44 4XZ 0.02384 0.01400 0.04867 0.03415 -0.12411 45 4YZ 0.09437 -0.03598 0.07203 0.07235 -0.03712 46 4 C 1S -0.21641 -0.03700 -0.11797 -0.17085 0.23411 47 2S 1.29866 0.24607 0.69819 0.85999 -1.39452 48 2PX 0.05545 0.00002 0.05694 0.03618 -0.04162 49 2PY 0.05161 -0.00174 0.05548 -0.11098 0.24357 50 2PZ 0.04066 -0.03635 0.07126 0.03641 -0.04354 51 3S 0.72948 -0.02938 0.57125 1.99076 -0.19760 52 3PX -0.13891 0.04743 -0.10725 -0.40315 -0.34458 53 3PY 0.03488 -0.02128 -0.04083 0.46403 0.51826 54 3PZ -0.13650 0.07646 -0.11940 -0.46582 -0.26089 55 4XX -0.84476 -0.13481 -0.47935 -0.63265 0.90453 56 4YY -0.77367 -0.13331 -0.43802 -0.77973 1.19618 57 4ZZ -0.85056 -0.12369 -0.50517 -0.62393 0.89242 58 4XY -0.01476 0.02763 -0.04402 -0.04540 0.00927 59 4XZ 0.00008 0.00926 -0.03831 0.00123 0.04859 60 4YZ -0.01216 0.04212 -0.05423 -0.01999 0.02935 61 5 C 1S -0.21641 -0.03700 -0.11798 0.17085 -0.23411 62 2S 1.29865 0.24608 0.69820 -0.85999 1.39452 63 2PX 0.05545 0.00002 0.05694 -0.03618 0.04162 64 2PY -0.05161 0.00175 -0.05548 -0.11098 0.24357 65 2PZ 0.04066 -0.03635 0.07126 -0.03641 0.04354 66 3S 0.72946 -0.02941 0.57128 -1.99075 0.19760 67 3PX -0.13891 0.04744 -0.10727 0.40315 0.34458 68 3PY -0.03488 0.02130 0.04082 0.46404 0.51827 69 3PZ -0.13649 0.07647 -0.11941 0.46582 0.26089 70 4XX -0.84475 -0.13481 -0.47936 0.63265 -0.90452 71 4YY -0.77367 -0.13332 -0.43803 0.77973 -1.19618 72 4ZZ -0.85055 -0.12369 -0.50517 0.62393 -0.89242 73 4XY 0.01476 -0.02763 0.04402 -0.04540 0.00928 74 4XZ 0.00008 0.00926 -0.03831 -0.00123 -0.04860 75 4YZ 0.01216 -0.04212 0.05423 -0.01999 0.02935 76 6 C 1S 0.01091 -0.12863 0.18773 -0.01380 -0.07693 77 2S -0.05250 0.73207 -1.08969 0.02168 -0.08141 78 2PX 0.08107 -0.00014 0.02182 -0.09143 0.00402 79 2PY 0.00376 -0.06332 0.06029 -0.03780 -0.06820 80 2PZ 0.06016 -0.02595 0.02835 -0.03067 0.04058 81 3S 0.21601 0.15855 -0.81744 -0.71328 -0.99540 82 3PX -0.14075 -0.03585 -0.02146 0.35915 -0.37149 83 3PY 0.41169 -0.24082 0.08632 -1.16447 -2.37550 84 3PZ -0.12407 0.13113 -0.05067 0.41885 0.13921 85 4XX 0.03058 -0.46026 0.72055 0.00054 -0.06614 86 4YY 0.02661 -0.58616 0.85044 -0.05668 -0.20415 87 4ZZ 0.05472 -0.44559 0.73390 -0.04056 -0.05537 88 4XY -0.09638 -0.01251 -0.01514 0.06603 -0.05464 89 4XZ 0.02384 0.01400 0.04867 -0.03415 0.12411 90 4YZ -0.09437 0.03598 -0.07203 0.07235 -0.03712 91 7 H 1S -0.03714 0.04860 -0.03492 0.03246 -0.01013 92 2S 0.22415 -0.05868 0.10830 -0.24411 -0.29571 93 8 H 1S -0.03714 0.04860 -0.03492 -0.03246 0.01013 94 2S 0.22415 -0.05867 0.10829 0.24411 0.29570 95 9 H 1S 0.09350 0.02969 0.03115 0.06627 -0.04676 96 2S -0.09982 -0.07609 -0.04640 0.03058 0.38757 97 10 H 1S 0.09350 0.02969 0.03115 -0.06627 0.04676 98 2S -0.09982 -0.07609 -0.04639 -0.03058 -0.38757 99 11 O 1S 0.05089 -0.01583 -0.02036 0.13621 0.26960 100 2S 0.08738 -0.00077 -0.04875 0.25844 0.44399 101 2PX -0.00302 -0.01936 0.01950 -0.02036 -0.01290 102 2PY 0.02297 0.07142 -0.10841 0.05303 0.07392 103 2PZ 0.01220 0.01229 -0.00659 0.00714 0.00780 104 3S -0.80653 0.32697 0.23254 -2.27876 -4.41805 105 3PX 0.06564 0.00647 -0.00150 0.20067 0.14318 106 3PY -0.19004 0.15694 -0.05467 -0.57309 -1.09207 107 3PZ -0.02322 -0.02015 0.00006 -0.01086 -0.11194 108 4XX 0.16636 -0.06209 -0.05221 0.45364 0.92466 109 4YY 0.14149 0.06049 -0.19736 0.34193 0.65821 110 4ZZ 0.17258 -0.06647 -0.05610 0.47247 0.92413 111 4XY 0.02573 -0.00841 0.02162 0.06205 0.03397 112 4XZ 0.00414 -0.00319 -0.01426 0.01371 0.05100 113 4YZ 0.00192 -0.00074 -0.00977 -0.00031 -0.02433 114 12 O 1S 0.05089 -0.01583 -0.02036 -0.13621 -0.26960 115 2S 0.08737 -0.00077 -0.04875 -0.25844 -0.44399 116 2PX -0.00302 -0.01936 0.01950 0.02036 0.01290 117 2PY -0.02296 -0.07142 0.10841 0.05303 0.07392 118 2PZ 0.01220 0.01229 -0.00659 -0.00714 -0.00780 119 3S -0.80649 0.32702 0.23253 2.27877 4.41807 120 3PX 0.06563 0.00647 -0.00150 -0.20067 -0.14316 121 3PY 0.19003 -0.15695 0.05467 -0.57309 -1.09208 122 3PZ -0.02322 -0.02015 0.00006 0.01086 0.11194 123 4XX 0.16635 -0.06210 -0.05220 -0.45364 -0.92466 124 4YY 0.14148 0.06048 -0.19736 -0.34193 -0.65822 125 4ZZ 0.17257 -0.06648 -0.05609 -0.47247 -0.92414 126 4XY -0.02573 0.00841 -0.02162 0.06205 0.03396 127 4XZ 0.00414 -0.00319 -0.01426 -0.01371 -0.05100 128 4YZ -0.00192 0.00074 0.00977 -0.00031 -0.02433 129 13 C 1S 0.06540 -0.27619 -0.31391 0.00000 0.00000 130 2S -0.45563 1.41028 1.66277 0.00000 -0.00001 131 2PX -0.02051 -0.04248 -0.06765 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.02117 -0.01652 133 2PZ -0.00692 -0.04603 -0.03206 0.00000 0.00000 134 3S -0.03385 1.09391 1.42572 0.00000 -0.00001 135 3PX 0.10949 -0.03689 0.07953 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 -0.13142 0.16499 137 3PZ 0.03438 0.09772 -0.07810 0.00000 0.00000 138 4XX 0.28017 -1.05600 -1.17602 0.00000 0.00001 139 4YY 0.20598 -0.98917 -1.14183 0.00000 0.00001 140 4ZZ 0.27338 -0.98142 -1.19996 0.00000 0.00001 141 4XY 0.00000 0.00000 0.00000 0.05161 -0.02898 142 4XZ -0.03599 0.05746 0.00415 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.07174 -0.01953 144 14 H 1S -0.04247 0.07050 0.07092 0.00000 0.00000 145 2S 0.05421 -0.18936 -0.34987 0.00000 0.00000 146 15 H 1S -0.05261 0.07214 0.09178 0.00000 0.00000 147 2S 0.13854 -0.31683 -0.26573 0.00000 0.00000 148 16 C 1S 0.09605 -0.12496 -0.11601 0.18316 -0.06494 149 2S -0.62430 0.63253 0.40747 -0.77059 0.43409 150 2PX 0.00866 -0.04384 -0.05773 0.04055 0.00145 151 2PY -0.00782 -0.03984 0.00326 0.04592 -0.04535 152 2PZ -0.04933 -0.10532 -0.00460 -0.05621 -0.04389 153 3S -0.17502 0.79685 0.46027 -1.04448 0.32356 154 3PX 0.06556 0.08529 0.22891 -0.12952 -0.13436 155 3PY -0.04874 0.25594 0.12529 -0.41491 0.08002 156 3PZ 0.01286 0.27004 0.12919 -0.08826 -0.09641 157 4XX 0.39215 -0.45578 -0.33364 0.68261 -0.27233 158 4YY 0.38532 -0.40703 -0.35622 0.60458 -0.26895 159 4ZZ 0.30591 -0.56245 -0.33070 0.57571 -0.32956 160 4XY 0.02986 -0.07908 -0.07725 -0.02491 -0.01498 161 4XZ -0.02868 0.00880 0.03990 -0.03483 -0.03403 162 4YZ -0.01011 -0.11228 -0.05125 -0.04210 -0.04148 163 17 H 1S -0.06379 0.07219 0.06734 -0.05787 0.03364 164 2S 0.06509 -0.01188 -0.03597 -0.01662 -0.06322 165 18 C 1S 0.16526 0.21975 -0.10792 0.19140 0.08662 166 2S -1.03127 -1.10168 0.71611 -1.05999 -0.64505 167 2PX 0.03201 0.00207 -0.01568 0.04448 -0.01486 168 2PY -0.03662 -0.03307 0.02516 0.13670 0.06076 169 2PZ -0.00685 -0.12488 0.01610 -0.02125 -0.06632 170 3S -0.43896 -1.14042 0.03794 -0.66163 -0.20488 171 3PX -0.07232 0.04703 0.04430 -0.16062 0.05712 172 3PY 0.05931 -0.05276 -0.03078 -0.12408 0.02203 173 3PZ -0.01424 0.40580 0.11265 -0.13568 -0.00897 174 4XX 0.64707 0.83308 -0.41579 0.72155 0.33437 175 4YY 0.58561 0.72035 -0.40987 0.88460 0.49430 176 4ZZ 0.63377 0.87146 -0.42478 0.67106 0.43021 177 4XY 0.00625 0.02356 0.02307 -0.02649 0.01134 178 4XZ -0.00151 0.01749 -0.01495 -0.02873 0.01923 179 4YZ -0.00922 0.04797 0.04856 -0.00533 0.01927 180 19 H 1S -0.04563 -0.07489 0.07397 -0.03018 -0.04875 181 2S 0.14920 0.06046 -0.13910 0.17458 0.06605 182 20 C 1S 0.09605 -0.12497 -0.11601 -0.18316 0.06494 183 2S -0.62429 0.63254 0.40747 0.77059 -0.43409 184 2PX 0.00866 -0.04384 -0.05773 -0.04055 -0.00145 185 2PY 0.00782 0.03984 -0.00326 0.04591 -0.04535 186 2PZ -0.04933 -0.10532 -0.00460 0.05621 0.04389 187 3S -0.17502 0.79687 0.46025 1.04447 -0.32357 188 3PX 0.06556 0.08530 0.22890 0.12952 0.13436 189 3PY 0.04875 -0.25595 -0.12527 -0.41490 0.08003 190 3PZ 0.01286 0.27005 0.12918 0.08826 0.09640 191 4XX 0.39214 -0.45579 -0.33364 -0.68261 0.27233 192 4YY 0.38532 -0.40703 -0.35621 -0.60458 0.26895 193 4ZZ 0.30591 -0.56246 -0.33070 -0.57571 0.32957 194 4XY -0.02986 0.07908 0.07725 -0.02491 -0.01498 195 4XZ -0.02868 0.00880 0.03990 0.03483 0.03403 196 4YZ 0.01011 0.11228 0.05125 -0.04210 -0.04148 197 21 H 1S -0.06379 0.07219 0.06733 0.05786 -0.03364 198 2S 0.06509 -0.01187 -0.03598 0.01662 0.06322 199 22 C 1S 0.16525 0.21974 -0.10792 -0.19141 -0.08662 200 2S -1.03126 -1.10166 0.71609 1.06001 0.64506 201 2PX 0.03201 0.00207 -0.01568 -0.04448 0.01486 202 2PY 0.03662 0.03307 -0.02516 0.13670 0.06076 203 2PZ -0.00685 -0.12488 0.01610 0.02125 0.06632 204 3S -0.43895 -1.14043 0.03794 0.66166 0.20490 205 3PX -0.07232 0.04703 0.04429 0.16062 -0.05712 206 3PY -0.05932 0.05276 0.03078 -0.12408 0.02203 207 3PZ -0.01424 0.40581 0.11264 0.13568 0.00897 208 4XX 0.64706 0.83307 -0.41578 -0.72156 -0.33438 209 4YY 0.58560 0.72034 -0.40986 -0.88462 -0.49430 210 4ZZ 0.63376 0.87144 -0.42477 -0.67108 -0.43022 211 4XY -0.00625 -0.02356 -0.02307 -0.02649 0.01134 212 4XZ -0.00151 0.01749 -0.01494 0.02874 -0.01923 213 4YZ 0.00922 -0.04797 -0.04856 -0.00533 0.01927 214 23 H 1S -0.04563 -0.07489 0.07397 0.03018 0.04875 215 2S 0.14920 0.06045 -0.13909 -0.17458 -0.06605 211 212 213 214 215 V V V V V Eigenvalues -- 4.52476 4.54455 4.63816 4.66211 4.94522 1 1 C 1S 0.11051 -0.25080 0.00752 0.24960 -0.31066 2 2S -0.59765 0.79670 0.38228 -0.78097 0.65520 3 2PX -0.00110 0.01012 -0.01020 0.03738 0.02912 4 2PY 0.01658 0.12515 0.01841 -0.01350 0.03956 5 2PZ 0.04886 -0.07837 -0.02153 0.11404 -0.11201 6 3S -0.66622 2.61055 -0.78810 -2.09673 7.49555 7 3PX -0.15695 -0.00356 0.58467 -0.24128 0.74197 8 3PY 0.13124 -0.42503 0.21832 0.16871 -2.01656 9 3PZ -0.15211 0.59548 -0.11312 -0.78255 2.04926 10 4XX 0.46094 -0.75812 -0.14488 0.82190 -0.92960 11 4YY 0.39805 -0.96391 -0.08592 0.77309 -1.15267 12 4ZZ 0.46871 -0.79833 -0.09865 0.86263 -0.94191 13 4XY 0.04542 0.07044 -0.02912 0.09027 -0.09191 14 4XZ 0.00236 0.04439 0.02134 0.05281 -0.03209 15 4YZ 0.04813 -0.00128 -0.00709 0.01102 -0.12809 16 2 C 1S 0.11052 0.25080 -0.00751 0.24960 0.31066 17 2S -0.59770 -0.79669 -0.38228 -0.78096 -0.65520 18 2PX -0.00110 -0.01011 0.01020 0.03738 -0.02913 19 2PY -0.01657 0.12515 0.01841 0.01350 0.03956 20 2PZ 0.04886 0.07837 0.02153 0.11404 0.11201 21 3S -0.66631 -2.61054 0.78807 -2.09668 -7.49555 22 3PX -0.15695 0.00356 -0.58467 -0.24126 -0.74196 23 3PY -0.13125 -0.42502 0.21831 -0.16870 -2.01656 24 3PZ -0.15212 -0.59548 0.11311 -0.78253 -2.04925 25 4XX 0.46098 0.75811 0.14488 0.82189 0.92960 26 4YY 0.39810 0.96391 0.08593 0.77307 1.15267 27 4ZZ 0.46875 0.79833 0.09866 0.86262 0.94191 28 4XY -0.04542 0.07044 -0.02912 -0.09027 -0.09191 29 4XZ 0.00236 -0.04439 -0.02134 0.05281 0.03209 30 4YZ -0.04813 -0.00128 -0.00709 -0.01102 -0.12809 31 3 C 1S -0.15603 0.20889 -0.08336 -0.16018 -0.25797 32 2S 0.71557 -0.89293 0.44296 0.55722 0.63390 33 2PX 0.01218 -0.01422 0.01808 -0.00566 -0.03571 34 2PY 0.04978 -0.03901 0.00539 0.08425 0.06614 35 2PZ 0.01635 0.04229 0.00403 0.04155 0.02002 36 3S 0.45264 -0.07505 1.12131 -0.02634 2.22275 37 3PX -0.18365 -0.12433 0.06976 -0.55510 -0.89576 38 3PY 0.98350 -0.63217 0.04722 2.28208 4.37820 39 3PZ 0.06079 -0.39160 -0.01163 -0.06288 0.14226 40 4XX -0.57647 0.70891 -0.35249 -0.53241 -0.78574 41 4YY -0.67841 0.89249 -0.35724 -0.66425 -0.97024 42 4ZZ -0.58236 0.70801 -0.35621 -0.55092 -0.83295 43 4XY 0.04575 0.00362 -0.01035 0.06699 0.05273 44 4XZ -0.08297 -0.03012 -0.06695 -0.10463 -0.11028 45 4YZ -0.00763 0.09583 -0.03852 0.04467 0.03400 46 4 C 1S 0.07988 -0.05091 0.13717 0.02348 0.07461 47 2S -0.40377 0.32790 -0.61296 -0.12695 -0.23583 48 2PX -0.04450 0.01623 -0.05580 0.00242 -0.00074 49 2PY -0.01747 -0.00400 0.08559 0.00670 0.01991 50 2PZ -0.04165 0.03693 -0.04633 -0.02297 -0.00255 51 3S -0.51069 0.77197 -1.57236 -0.22173 -3.90307 52 3PX 0.23389 -0.21957 0.35661 0.27101 1.14194 53 3PY -0.14077 -0.01856 -0.30060 -0.42165 -1.67323 54 3PZ 0.21212 -0.21606 0.35748 0.29160 1.08911 55 4XX 0.30752 -0.20314 0.49309 0.10017 0.22523 56 4YY 0.29328 -0.29129 0.63046 0.11837 0.35078 57 4ZZ 0.32872 -0.25037 0.51067 0.09167 0.26446 58 4XY 0.02847 -0.06137 0.04918 0.03476 0.05948 59 4XZ 0.00994 -0.05480 0.02527 0.00187 0.02316 60 4YZ 0.04780 -0.07820 0.04207 0.06774 0.10660 61 5 C 1S 0.07988 0.05090 -0.13717 0.02349 -0.07461 62 2S -0.40377 -0.32789 0.61297 -0.12695 0.23583 63 2PX -0.04450 -0.01622 0.05580 0.00242 0.00074 64 2PY 0.01747 -0.00400 0.08559 -0.00670 0.01992 65 2PZ -0.04165 -0.03693 0.04633 -0.02297 0.00255 66 3S -0.51072 -0.77195 1.57237 -0.22177 3.90308 67 3PX 0.23390 0.21956 -0.35661 0.27102 -1.14193 68 3PY 0.14078 -0.01856 -0.30060 0.42167 -1.67325 69 3PZ 0.21213 0.21606 -0.35748 0.29161 -1.08911 70 4XX 0.30752 0.20313 -0.49309 0.10018 -0.22523 71 4YY 0.29328 0.29128 -0.63046 0.11838 -0.35078 72 4ZZ 0.32872 0.25036 -0.51067 0.09167 -0.26446 73 4XY -0.02847 -0.06137 0.04918 -0.03476 0.05948 74 4XZ 0.00994 0.05480 -0.02527 0.00187 -0.02316 75 4YZ -0.04781 -0.07820 0.04206 -0.06774 0.10660 76 6 C 1S -0.15604 -0.20889 0.08336 -0.16018 0.25797 77 2S 0.71560 0.89292 -0.44295 0.55721 -0.63390 78 2PX 0.01218 0.01423 -0.01808 -0.00566 0.03571 79 2PY -0.04979 -0.03901 0.00539 -0.08424 0.06614 80 2PZ 0.01635 -0.04230 -0.00403 0.04155 -0.02002 81 3S 0.45263 0.07505 -1.12131 -0.02632 -2.22274 82 3PX -0.18364 0.12434 -0.06977 -0.55507 0.89570 83 3PY -0.98355 -0.63215 0.04720 -2.28209 4.37825 84 3PZ 0.06080 0.39160 0.01162 -0.06288 -0.14227 85 4XX -0.57650 -0.70891 0.35249 -0.53240 0.78574 86 4YY -0.67845 -0.89248 0.35723 -0.66424 0.97025 87 4ZZ -0.58238 -0.70800 0.35621 -0.55091 0.83295 88 4XY -0.04575 0.00363 -0.01035 -0.06699 0.05273 89 4XZ -0.08297 0.03013 0.06695 -0.10463 0.11028 90 4YZ 0.00763 0.09583 -0.03852 -0.04468 0.03400 91 7 H 1S -0.04537 0.02331 0.08092 -0.08240 0.00395 92 2S 0.06821 -0.06674 0.06525 0.02534 0.23831 93 8 H 1S -0.04537 -0.02331 -0.08091 -0.08240 -0.00395 94 2S 0.06822 0.06674 -0.06524 0.02535 -0.23831 95 9 H 1S -0.03761 0.00359 -0.04661 -0.04498 -0.08560 96 2S -0.06014 0.00428 -0.01580 -0.18027 -0.42842 97 10 H 1S -0.03761 -0.00359 0.04661 -0.04498 0.08560 98 2S -0.06014 -0.00428 0.01579 -0.18027 0.42842 99 11 O 1S -0.07397 0.06025 0.03188 -0.21113 -0.24464 100 2S -0.16063 0.09154 0.06580 -0.48294 -0.63795 101 2PX -0.00833 0.01778 -0.00574 0.00727 -0.00730 102 2PY 0.04301 -0.08856 0.04946 -0.02402 0.00467 103 2PZ 0.00166 -0.01464 -0.00014 0.00389 0.00626 104 3S 1.39980 -1.10923 -0.52307 3.83840 5.00531 105 3PX -0.03567 0.05948 0.00368 -0.12441 -0.11934 106 3PY 0.45583 -0.40753 -0.10181 1.08180 1.32128 107 3PZ 0.05594 0.04547 -0.00120 0.13538 0.15785 108 4XX -0.27010 0.22916 0.09570 -0.73178 -0.82782 109 4YY -0.05305 -0.01782 0.13916 -0.39529 -0.43596 110 4ZZ -0.26756 0.22642 0.10724 -0.73920 -0.84109 111 4XY -0.02181 0.02692 -0.00593 -0.05116 -0.05591 112 4XZ 0.01193 0.00510 0.01614 0.01119 0.00705 113 4YZ 0.03209 0.00786 0.00802 0.06071 0.06321 114 12 O 1S -0.07397 -0.06025 -0.03188 -0.21113 0.24464 115 2S -0.16064 -0.09154 -0.06580 -0.48294 0.63796 116 2PX -0.00833 -0.01778 0.00574 0.00727 0.00730 117 2PY -0.04301 -0.08856 0.04946 0.02402 0.00467 118 2PZ 0.00166 0.01464 0.00014 0.00389 -0.00626 119 3S 1.39989 1.10921 0.52311 3.83840 -5.00536 120 3PX -0.03566 -0.05948 -0.00368 -0.12440 0.11932 121 3PY -0.45586 -0.40753 -0.10182 -1.08180 1.32129 122 3PZ 0.05594 -0.04547 0.00120 0.13538 -0.15785 123 4XX -0.27012 -0.22916 -0.09571 -0.73178 0.82782 124 4YY -0.05306 0.01782 -0.13917 -0.39529 0.43597 125 4ZZ -0.26758 -0.22642 -0.10725 -0.73920 0.84110 126 4XY 0.02181 0.02692 -0.00593 0.05115 -0.05591 127 4XZ 0.01193 -0.00510 -0.01614 0.01119 -0.00705 128 4YZ -0.03208 0.00786 0.00802 -0.06071 0.06321 129 13 C 1S -0.28166 0.00001 0.00000 0.08423 0.00000 130 2S 1.42492 -0.00003 -0.00001 -0.45828 0.00000 131 2PX -0.08825 0.00000 0.00000 -0.02728 0.00000 132 2PY 0.00000 -0.00194 -0.04314 0.00000 0.07606 133 2PZ -0.07803 0.00000 0.00000 0.02786 0.00000 134 3S 2.52727 -0.00009 -0.00004 -1.86333 0.00000 135 3PX 0.29910 -0.00001 0.00000 -0.23129 0.00000 136 3PY 0.00000 0.04615 -0.44376 0.00000 0.20636 137 3PZ 0.16482 -0.00002 -0.00001 -0.54560 0.00000 138 4XX -1.02640 0.00003 0.00001 0.32265 0.00000 139 4YY -1.19668 0.00003 0.00001 0.45855 0.00000 140 4ZZ -1.10634 0.00003 0.00001 0.30056 0.00000 141 4XY 0.00000 -0.02237 0.09401 0.00000 -0.02311 142 4XZ -0.09612 0.00000 0.00000 0.03029 0.00000 143 4YZ 0.00000 -0.04394 0.11331 0.00000 -0.03534 144 14 H 1S 0.01060 0.00000 0.00000 0.03781 0.00000 145 2S -0.37821 0.00001 0.00000 -0.06001 0.00000 146 15 H 1S -0.02285 0.00000 0.00000 0.07173 0.00000 147 2S -0.22653 0.00001 0.00000 0.17852 0.00000 148 16 C 1S 0.20731 -0.09344 0.33199 -0.23822 -0.14076 149 2S -1.20261 0.02353 -1.13377 0.85027 -0.04693 150 2PX 0.01435 -0.01544 0.06848 -0.04675 0.01075 151 2PY 0.08179 -0.02758 0.16098 -0.11196 -0.06894 152 2PZ 0.02393 0.01819 0.03434 -0.02402 -0.01322 153 3S -1.69685 0.49972 -3.67306 2.37765 2.60814 154 3PX 0.07273 0.29761 -0.42540 0.23632 0.57078 155 3PY -0.22694 0.20099 -1.25942 0.73675 1.01620 156 3PZ 0.08510 -0.14555 -0.34553 0.11666 0.34089 157 4XX 0.82313 -0.22586 1.11364 -0.75391 -0.27943 158 4YY 0.91701 -0.22565 1.08680 -0.89900 -0.33367 159 4ZZ 0.88640 -0.14687 1.26757 -0.81118 -0.37448 160 4XY -0.04635 0.05772 -0.02755 0.01445 0.06779 161 4XZ 0.05724 0.00023 0.04182 -0.03902 -0.05050 162 4YZ -0.03385 0.04301 0.04065 0.00262 -0.00651 163 17 H 1S -0.04520 0.00116 -0.07269 0.07654 -0.00357 164 2S 0.25261 0.00787 -0.03300 -0.04156 0.17330 165 18 C 1S -0.06506 -0.22512 -0.16550 -0.04206 0.03343 166 2S 0.38248 0.93274 0.79045 0.24180 -0.06828 167 2PX 0.00967 -0.01378 0.03481 -0.02755 -0.00947 168 2PY 0.02146 -0.11517 -0.04264 -0.00452 -0.00678 169 2PZ 0.08542 0.09877 0.11952 0.01389 0.00328 170 3S 0.50994 2.08204 3.29836 -0.60986 -1.88911 171 3PX 0.00052 -0.01079 -0.17990 0.06031 0.12097 172 3PY -0.00492 0.66384 0.68150 0.02722 -0.27277 173 3PZ -0.14426 -0.45101 -1.06461 0.28702 0.79789 174 4XX -0.26475 -0.80137 -0.59683 -0.15329 0.10771 175 4YY -0.23053 -0.93898 -0.73494 -0.15008 0.10781 176 4ZZ -0.36703 -0.76214 -0.75332 -0.10842 0.12665 177 4XY 0.00671 0.03947 -0.02669 0.02446 0.02917 178 4XZ -0.06416 -0.00493 -0.08534 0.03174 0.02387 179 4YZ -0.04818 -0.02066 -0.09042 0.07937 0.01640 180 19 H 1S 0.02366 0.07929 0.04840 0.04747 -0.01218 181 2S -0.04656 -0.03685 0.08421 -0.04835 -0.08494 182 20 C 1S 0.20731 0.09342 -0.33200 -0.23822 0.14076 183 2S -1.20259 -0.02347 1.13380 0.85026 0.04693 184 2PX 0.01435 0.01544 -0.06848 -0.04675 -0.01075 185 2PY -0.08179 -0.02757 0.16098 0.11196 -0.06894 186 2PZ 0.02393 -0.01820 -0.03434 -0.02402 0.01322 187 3S -1.69685 -0.49960 3.67314 2.37761 -2.60815 188 3PX 0.07271 -0.29761 0.42541 0.23632 -0.57079 189 3PY 0.22694 0.20095 -1.25944 -0.73673 1.01618 190 3PZ 0.08511 0.14555 0.34554 0.11665 -0.34089 191 4XX 0.82312 0.22581 -1.11366 -0.75390 0.27943 192 4YY 0.91700 0.22560 -1.08683 -0.89899 0.33366 193 4ZZ 0.88639 0.14682 -1.26760 -0.81117 0.37448 194 4XY 0.04635 0.05772 -0.02756 -0.01445 0.06779 195 4XZ 0.05724 -0.00023 -0.04182 -0.03902 0.05050 196 4YZ 0.03385 0.04301 0.04064 -0.00262 -0.00650 197 21 H 1S -0.04520 -0.00115 0.07269 0.07654 0.00357 198 2S 0.25261 -0.00787 0.03299 -0.04156 -0.17329 199 22 C 1S -0.06505 0.22512 0.16550 -0.04207 -0.03343 200 2S 0.38243 -0.93275 -0.79045 0.24183 0.06828 201 2PX 0.00967 0.01378 -0.03482 -0.02755 0.00947 202 2PY -0.02147 -0.11516 -0.04264 0.00453 -0.00678 203 2PZ 0.08542 -0.09878 -0.11952 0.01390 -0.00328 204 3S 0.50986 -2.08208 -3.29839 -0.60975 1.88912 205 3PX 0.00052 0.01079 0.17991 0.06031 -0.12097 206 3PY 0.00494 0.66384 0.68150 -0.02725 -0.27277 207 3PZ -0.14424 0.45103 1.06462 0.28698 -0.79789 208 4XX -0.26472 0.80138 0.59683 -0.15332 -0.10771 209 4YY -0.23048 0.93899 0.73494 -0.15011 -0.10781 210 4ZZ -0.36700 0.76215 0.75332 -0.10845 -0.12665 211 4XY -0.00671 0.03947 -0.02669 -0.02447 0.02917 212 4XZ -0.06416 0.00494 0.08534 0.03174 -0.02387 213 4YZ 0.04818 -0.02066 -0.09042 -0.07937 0.01640 214 23 H 1S 0.02366 -0.07929 -0.04840 0.04748 0.01218 215 2S -0.04655 0.03686 -0.08422 -0.04835 0.08494 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05568 2 2S -0.05950 0.31926 3 2PX -0.00296 0.00998 0.35917 4 2PY -0.00291 0.00011 0.00506 0.42056 5 2PZ 0.00372 -0.00840 0.03787 -0.00976 0.38844 6 3S -0.23340 0.34054 0.01472 0.07885 0.06720 7 3PX 0.00048 -0.00476 0.21735 -0.00157 -0.02301 8 3PY 0.00473 0.00239 -0.00528 0.13044 0.01738 9 3PZ -0.01464 0.00449 -0.02886 0.01732 0.19503 10 4XX -0.01278 -0.01075 0.00470 0.00542 0.00410 11 4YY -0.01643 -0.00195 -0.00161 -0.01322 -0.00057 12 4ZZ -0.01568 -0.00419 -0.00606 0.01175 -0.00724 13 4XY -0.00033 0.00080 0.00272 0.00300 0.01059 14 4XZ -0.00386 0.00785 0.00424 0.00771 -0.00203 15 4YZ 0.00249 -0.00482 0.00993 -0.00268 0.01181 16 2 C 1S 0.01654 -0.03534 0.00992 0.07771 -0.00848 17 2S -0.03534 0.06310 -0.01884 -0.15750 0.01463 18 2PX 0.00992 -0.01884 0.14406 -0.01411 -0.08711 19 2PY -0.07771 0.15750 0.01411 -0.31931 -0.01098 20 2PZ -0.00848 0.01463 -0.08711 0.01098 0.08459 21 3S 0.03071 -0.01026 -0.05376 -0.13473 0.04026 22 3PX 0.01140 -0.01592 0.09003 -0.01091 -0.06348 23 3PY 0.00387 0.01432 0.01435 -0.11233 -0.02762 24 3PZ 0.00403 0.00312 -0.06812 0.02133 0.05205 25 4XX 0.00244 -0.00551 0.00273 0.00853 -0.00203 26 4YY -0.00645 0.01086 -0.00006 -0.00629 0.00002 27 4ZZ 0.00258 -0.00613 0.00016 0.01011 -0.00083 28 4XY -0.00044 0.00094 0.01289 -0.00162 -0.00037 29 4XZ 0.00070 -0.00139 -0.00126 0.00196 0.00103 30 4YZ 0.00041 -0.00058 0.00039 -0.00096 0.01298 31 3 C 1S -0.00330 0.00758 0.00220 -0.01401 0.00381 32 2S 0.00880 -0.01833 -0.01245 0.03691 -0.00608 33 2PX -0.00739 0.01900 0.01573 -0.03465 0.00841 34 2PY 0.00944 -0.02334 -0.00378 0.03551 -0.00902 35 2PZ -0.00832 0.01802 -0.00754 -0.01198 0.01812 36 3S -0.00273 -0.01122 0.00368 0.05527 -0.04139 37 3PX 0.00029 0.00379 0.01025 -0.00599 0.01608 38 3PY -0.01160 0.01306 0.00394 -0.01756 0.00213 39 3PZ -0.00426 0.00969 0.00609 -0.00286 0.01369 40 4XX 0.00037 -0.00096 -0.00583 0.00458 0.00358 41 4YY -0.00186 0.00374 0.00206 -0.00969 -0.00003 42 4ZZ 0.00073 -0.00160 0.00272 0.00168 -0.00254 43 4XY 0.00042 -0.00085 0.00193 0.00171 -0.00197 44 4XZ 0.00047 -0.00110 -0.00046 0.00175 0.00053 45 4YZ -0.00040 0.00045 -0.00551 0.00266 0.00284 46 4 C 1S -0.00073 0.00096 0.00512 -0.00244 0.00084 47 2S 0.00028 -0.00164 -0.01359 0.00594 0.00011 48 2PX -0.00242 0.00754 -0.00857 -0.00492 0.02033 49 2PY 0.00158 -0.00270 -0.00620 0.00208 -0.00775 50 2PZ -0.00220 0.00497 0.03004 -0.01366 -0.01446 51 3S 0.00700 0.00151 -0.02422 0.00663 -0.00651 52 3PX -0.00548 0.00815 -0.01206 -0.00156 0.01268 53 3PY 0.00245 0.00245 0.00127 0.00849 -0.00438 54 3PZ -0.00490 0.00589 0.02076 -0.00884 -0.01396 55 4XX -0.00017 0.00004 -0.00068 0.00065 0.00079 56 4YY 0.00007 0.00003 -0.00094 -0.00075 -0.00007 57 4ZZ -0.00003 -0.00017 0.00112 0.00008 -0.00043 58 4XY -0.00038 0.00097 0.00074 0.00187 0.00148 59 4XZ 0.00017 -0.00024 -0.00008 0.00059 0.00054 60 4YZ -0.00044 0.00104 0.00119 0.00155 0.00154 61 5 C 1S -0.00575 0.01186 0.01560 0.00631 0.01454 62 2S 0.01225 -0.02549 -0.03725 -0.01339 -0.03212 63 2PX -0.01388 0.03169 0.02564 0.02105 0.04016 64 2PY 0.00747 -0.01644 -0.01993 -0.01615 -0.02265 65 2PZ -0.01521 0.03358 0.04962 0.01713 0.03256 66 3S 0.02144 -0.05705 -0.09146 -0.03599 -0.08712 67 3PX -0.00541 0.01684 0.01370 0.00917 0.03424 68 3PY 0.01024 -0.01018 -0.03679 -0.01373 -0.03487 69 3PZ -0.00519 0.01524 0.03353 0.00350 0.02093 70 4XX -0.00092 0.00172 0.00070 0.00172 0.00479 71 4YY 0.00029 -0.00040 -0.00273 -0.00048 -0.00168 72 4ZZ -0.00065 0.00114 0.00501 0.00083 0.00071 73 4XY -0.00047 0.00098 0.00243 0.00012 0.00024 74 4XZ -0.00070 0.00136 0.00314 0.00141 0.00334 75 4YZ -0.00072 0.00136 0.00083 0.00092 0.00240 76 6 C 1S 0.01430 -0.03003 -0.04839 -0.03622 -0.04281 77 2S -0.03013 0.05493 0.10204 0.08129 0.09184 78 2PX 0.04903 -0.09860 -0.08245 -0.11691 -0.16417 79 2PY 0.03344 -0.05880 -0.11345 -0.06404 -0.08367 80 2PZ 0.03985 -0.07953 -0.16453 -0.08368 -0.06002 81 3S 0.01050 0.00990 0.08720 0.06264 0.07431 82 3PX -0.00683 -0.00251 0.01177 -0.01234 -0.02614 83 3PY -0.00870 -0.00752 -0.03669 0.02129 -0.02419 84 3PZ -0.00530 0.00240 -0.02632 -0.00808 0.01752 85 4XX -0.00256 0.00356 -0.00820 0.00661 0.00597 86 4YY 0.00093 -0.00245 -0.00063 -0.01290 -0.00267 87 4ZZ -0.00098 0.00037 0.00106 0.00253 -0.01043 88 4XY -0.00529 0.00977 0.00521 0.00362 0.01263 89 4XZ -0.00362 0.00645 0.00195 0.00638 -0.00168 90 4YZ -0.00555 0.01060 0.01504 0.00448 0.00354 91 7 H 1S -0.06040 0.11597 -0.09472 0.13178 -0.21154 92 2S -0.01007 0.02369 -0.08516 0.09673 -0.18159 93 8 H 1S 0.01233 -0.02671 0.01146 0.03916 0.01263 94 2S 0.01576 -0.02921 0.02532 0.06273 0.02820 95 9 H 1S 0.00074 -0.00096 0.00063 -0.00861 -0.00275 96 2S 0.00640 -0.01073 -0.00122 -0.00616 -0.01199 97 10 H 1S -0.00680 0.01425 0.02059 0.00870 0.01857 98 2S -0.01484 0.02811 0.05277 0.02487 0.04343 99 11 O 1S 0.00116 -0.00274 -0.00069 0.00565 -0.00104 100 2S -0.00232 0.00537 0.00193 -0.01222 0.00009 101 2PX 0.00801 -0.01239 -0.02514 0.04466 0.01501 102 2PY -0.00740 0.01879 -0.00352 -0.03075 0.00738 103 2PZ 0.00932 -0.01407 0.03714 0.00954 -0.02052 104 3S -0.00878 0.01636 0.00292 -0.03908 0.01520 105 3PX 0.00578 -0.01010 -0.02274 0.03663 0.00836 106 3PY -0.00545 0.01376 -0.00369 -0.02576 0.01010 107 3PZ 0.00745 -0.01231 0.02789 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 0.01027 0.00120 115 2S 0.00589 -0.01292 -0.00992 -0.02336 -0.00540 116 2PX -0.02537 0.04072 0.01510 0.06183 0.06339 117 2PY -0.01300 0.02148 0.03280 0.03617 0.01805 118 2PZ -0.02342 0.04809 0.06476 0.04729 0.00619 119 3S 0.00882 -0.00220 0.00450 -0.05465 0.01147 120 3PX -0.01958 0.03352 0.00897 0.05372 0.05602 121 3PY -0.00725 0.00884 0.01717 0.02915 0.00300 122 3PZ -0.01822 0.03921 0.06156 0.03921 0.00364 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 -0.01203 0.03030 0.00334 -0.00774 131 2PX 0.00831 -0.01765 0.03375 0.00332 -0.01274 132 2PY 0.00041 -0.00510 -0.00112 -0.00557 0.01283 133 2PZ -0.00283 0.00504 -0.00540 0.00486 -0.01289 134 3S 0.00917 -0.02069 0.05281 0.00510 -0.02010 135 3PX 0.00344 -0.00561 -0.00037 -0.00369 -0.00297 136 3PY 0.00062 -0.00343 0.00474 -0.00284 0.00597 137 3PZ -0.00383 0.00479 -0.00988 0.01949 -0.01329 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 -0.00030 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 0.00460 -0.00834 0.02095 -0.00122 -0.00172 145 2S 0.00058 -0.00144 0.01126 0.00937 -0.00844 146 15 H 1S -0.00542 0.01041 -0.03258 0.00194 0.01284 147 2S -0.00775 0.01597 -0.07260 0.00178 0.03248 148 16 C 1S -0.00132 0.00220 -0.01083 -0.00193 0.00764 149 2S 0.00423 -0.00346 0.02677 0.00695 -0.01873 150 2PX 0.00160 -0.00359 0.01973 0.02130 -0.01247 151 2PY 0.00502 -0.00693 0.01966 0.01450 -0.01233 152 2PZ -0.00177 0.00437 -0.02070 -0.01063 0.01574 153 3S -0.00154 -0.00127 0.03341 -0.00501 -0.02241 154 3PX 0.00006 -0.00174 0.02747 0.01897 -0.01915 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 -0.00160 0.00068 0.00190 160 4XY -0.00057 0.00064 -0.00144 -0.00182 0.00107 161 4XZ 0.00054 -0.00087 0.00666 -0.00086 -0.00511 162 4YZ 0.00003 0.00002 0.00020 0.00044 -0.00041 163 17 H 1S -0.00141 0.00205 0.00386 -0.01008 -0.00366 164 2S -0.00292 0.00285 -0.00233 -0.02354 0.00594 165 18 C 1S -0.00071 0.00013 -0.00149 -0.00043 0.00056 166 2S 0.00122 0.00021 0.00522 -0.00150 -0.00145 167 2PX 0.00844 -0.01896 0.08498 -0.00523 -0.07280 168 2PY 0.00103 -0.00062 0.00742 -0.00122 -0.00586 169 2PZ -0.00466 0.00691 -0.03499 -0.00060 0.02726 170 3S 0.00328 -0.00104 0.01300 0.01907 -0.01108 171 3PX 0.00535 -0.01142 0.06737 -0.00860 -0.06149 172 3PY 0.00050 -0.00033 0.01280 0.00154 -0.01820 173 3PZ -0.00546 0.00757 -0.03797 -0.00805 0.02940 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 0.00057 -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 0.01302 0.00269 -0.01412 182 20 C 1S -0.00218 0.00219 0.00677 0.00074 -0.00720 183 2S 0.00169 -0.01447 -0.00989 -0.00194 0.00960 184 2PX -0.00918 0.01121 -0.13338 0.02346 0.08121 185 2PY 0.00199 0.00056 0.01645 -0.01291 -0.00657 186 2PZ 0.00253 -0.00246 0.05612 -0.00926 -0.05393 187 3S 0.01602 -0.01269 0.00209 -0.01355 0.02921 188 3PX 0.00305 -0.00218 -0.08489 0.01375 0.05590 189 3PY -0.00327 -0.00228 0.00054 0.01260 -0.00151 190 3PZ 0.00073 0.00202 0.05377 -0.01905 -0.02395 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 -0.00129 195 4XZ 0.00124 -0.00319 0.00557 -0.00251 -0.00141 196 4YZ -0.00011 0.00027 -0.00119 -0.00045 0.00131 197 21 H 1S 0.00447 -0.00840 0.01955 -0.01376 -0.00580 198 2S 0.00623 -0.00770 0.02868 -0.02588 -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 -0.01755 201 2PX 0.00780 -0.02010 0.00172 -0.01089 -0.00486 202 2PY 0.00006 -0.00165 0.00023 0.00067 -0.00610 203 2PZ -0.00418 0.01311 -0.00999 0.00416 0.02128 204 3S -0.00204 -0.00289 -0.03608 0.01224 0.00481 205 3PX 0.00777 -0.01811 0.01456 -0.01614 -0.01044 206 3PY -0.00161 0.00164 0.00332 0.00182 -0.01677 207 3PZ -0.00185 0.00856 0.00680 -0.00422 0.00835 208 4XX -0.00055 0.00065 0.00147 -0.00037 -0.00053 209 4YY -0.00015 0.00008 0.00150 -0.00047 -0.00103 210 4ZZ -0.00041 -0.00025 -0.00242 0.00082 0.00121 211 4XY -0.00054 0.00073 -0.00500 0.00089 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 0.00010 0.00285 0.00436 6 7 8 9 10 6 3S 0.55232 7 3PX 0.00104 0.14605 8 3PY -0.01285 -0.00734 0.07150 9 3PZ 0.07387 -0.03721 0.01105 0.11604 10 4XX -0.00898 0.00230 0.00089 0.00164 0.00093 11 4YY -0.00621 -0.00092 -0.00199 -0.00146 -0.00013 12 4ZZ -0.00269 -0.00287 0.00270 -0.00254 0.00020 13 4XY 0.00210 0.00018 0.00232 0.00485 0.00012 14 4XZ 0.00806 0.00193 0.00230 -0.00125 -0.00015 15 4YZ -0.00550 0.00461 -0.00064 0.00387 0.00037 16 2 C 1S 0.03071 0.01140 -0.00387 0.00403 0.00244 17 2S -0.01026 -0.01593 -0.01432 0.00312 -0.00551 18 2PX -0.05376 0.09003 -0.01435 -0.06812 0.00273 19 2PY 0.13473 0.01092 -0.11233 -0.02133 -0.00853 20 2PZ 0.04026 -0.06348 0.02762 0.05205 -0.00203 21 3S -0.18420 -0.04219 0.05178 0.00534 -0.00421 22 3PX -0.04219 0.05802 -0.01405 -0.04913 0.00209 23 3PY -0.05178 0.01406 -0.02164 -0.02924 -0.00213 24 3PZ 0.00534 -0.04913 0.02924 0.03311 -0.00146 25 4XX -0.00421 0.00209 0.00213 -0.00146 0.00038 26 4YY 0.01296 -0.00056 -0.00333 0.00011 -0.00037 27 4ZZ -0.00499 0.00066 0.00297 0.00009 0.00028 28 4XY 0.00017 0.00859 -0.00059 -0.00195 0.00008 29 4XZ -0.00257 -0.00140 0.00143 0.00103 0.00004 30 4YZ 0.00025 -0.00126 0.00085 0.00682 0.00014 31 3 C 1S -0.01196 -0.00060 0.00024 -0.00401 -0.00022 32 2S 0.00041 -0.00815 0.01060 0.00425 0.00062 33 2PX 0.01407 0.01175 -0.00920 0.00199 0.00028 34 2PY -0.07420 -0.00272 0.04309 -0.00672 0.00015 35 2PZ 0.03483 0.00979 -0.00219 0.01603 -0.00104 36 3S 0.01572 0.01214 0.01291 -0.01253 0.00056 37 3PX -0.00106 0.00356 0.00779 0.00653 0.00030 38 3PY 0.02640 0.00173 -0.00919 0.00437 -0.00034 39 3PZ 0.02458 0.00870 0.00260 0.00963 -0.00050 40 4XX -0.00367 -0.00373 0.00483 0.00226 -0.00001 41 4YY 0.00454 0.00108 -0.00468 -0.00093 -0.00015 42 4ZZ -0.00364 0.00183 0.00038 -0.00147 0.00005 43 4XY 0.00539 0.00152 -0.00473 -0.00109 0.00018 44 4XZ -0.00241 -0.00040 0.00147 0.00043 0.00007 45 4YZ 0.00843 -0.00429 -0.00301 0.00287 -0.00015 46 4 C 1S 0.00022 0.00489 -0.00124 0.00211 0.00009 47 2S 0.00996 -0.01034 -0.00062 -0.00037 -0.00038 48 2PX 0.00248 -0.01074 0.00717 0.00081 0.00173 49 2PY -0.01056 -0.00717 0.01008 -0.00812 -0.00077 50 2PZ 0.00268 0.01585 -0.00564 -0.00926 -0.00148 51 3S 0.05835 -0.01861 -0.02816 -0.00553 -0.00135 52 3PX 0.00944 -0.00920 0.00495 0.00278 0.00083 53 3PY 0.02920 -0.00114 -0.00257 -0.00438 -0.00068 54 3PZ 0.01404 0.01301 -0.00678 -0.00467 -0.00089 55 4XX 0.00029 -0.00034 0.00036 0.00064 -0.00003 56 4YY -0.00009 -0.00068 -0.00035 0.00006 0.00000 57 4ZZ -0.00083 0.00049 0.00012 -0.00039 0.00008 58 4XY 0.00418 0.00124 0.00117 0.00119 0.00004 59 4XZ -0.00027 -0.00026 0.00039 0.00029 0.00001 60 4YZ 0.00373 0.00131 0.00137 0.00151 -0.00015 61 5 C 1S 0.02803 0.00960 0.00596 0.00732 -0.00039 62 2S -0.06314 -0.02523 -0.00648 -0.01698 0.00064 63 2PX 0.09763 0.02739 0.02913 0.02462 0.00055 64 2PY -0.04056 -0.00854 -0.01435 -0.00733 0.00118 65 2PZ 0.09606 0.04226 0.02711 0.02494 -0.00423 66 3S -0.16553 -0.04543 -0.00214 -0.03362 0.00109 67 3PX 0.04214 0.00801 0.01548 0.01277 0.00077 68 3PY -0.00278 -0.02154 -0.01961 -0.01593 -0.00052 69 3PZ 0.02883 0.01957 0.01373 0.00808 -0.00192 70 4XX 0.00298 0.00012 0.00080 0.00248 -0.00008 71 4YY -0.00007 -0.00159 0.00049 -0.00109 -0.00012 72 4ZZ 0.00151 0.00286 0.00000 0.00016 0.00020 73 4XY 0.00442 0.00247 0.00037 0.00138 -0.00010 74 4XZ 0.00138 0.00134 0.00039 0.00144 0.00008 75 4YZ 0.00425 0.00153 0.00134 0.00175 -0.00010 76 6 C 1S 0.02147 -0.00201 -0.01943 0.00470 -0.00240 77 2S -0.00342 0.01795 0.03210 0.00732 0.00396 78 2PX -0.13525 -0.03627 -0.06599 -0.07117 0.00421 79 2PY -0.11989 -0.06383 0.01826 -0.06105 -0.00303 80 2PZ -0.11687 -0.09359 -0.04988 -0.02878 -0.00344 81 3S -0.04748 0.01689 0.01979 0.00297 0.00431 82 3PX 0.01866 0.01173 -0.01055 -0.00365 0.00200 83 3PY 0.02521 -0.00861 0.00082 0.00393 -0.00088 84 3PZ 0.00536 -0.01651 -0.00061 0.00441 -0.00233 85 4XX 0.01387 -0.00442 0.00077 0.00719 -0.00002 86 4YY -0.00701 0.00040 -0.00247 -0.00313 -0.00022 87 4ZZ 0.00157 0.00298 -0.00097 -0.00337 -0.00016 88 4XY 0.02525 0.00198 0.00002 0.00878 0.00003 89 4XZ 0.00724 0.00090 0.00159 -0.00092 -0.00012 90 4YZ 0.02372 0.01027 -0.00039 0.00046 -0.00036 91 7 H 1S 0.11211 -0.03926 0.03218 -0.08496 -0.00524 92 2S -0.00280 -0.03307 0.02222 -0.07425 -0.00224 93 8 H 1S -0.04698 0.00652 0.02109 0.00997 0.00135 94 2S -0.02017 0.01354 0.01611 0.01770 0.00221 95 9 H 1S -0.00770 -0.00382 -0.00592 -0.00547 0.00037 96 2S -0.04024 -0.00438 0.00158 -0.01122 0.00072 97 10 H 1S 0.04514 0.02151 0.01478 0.01577 -0.00069 98 2S 0.08858 0.04110 0.01264 0.03016 -0.00038 99 11 O 1S -0.00168 0.00161 0.00194 0.00184 0.00016 100 2S 0.01150 -0.00228 -0.00806 -0.00317 -0.00031 101 2PX -0.11203 -0.01615 0.09698 0.00945 -0.00021 102 2PY 0.07053 -0.00333 -0.03528 0.01027 -0.00031 103 2PZ -0.09390 0.04197 0.05297 -0.01826 0.00221 104 3S 0.01264 -0.00543 -0.01079 0.00324 -0.00095 105 3PX -0.07837 -0.01432 0.06899 0.00663 -0.00025 106 3PY 0.04086 -0.00410 -0.02084 0.00900 -0.00042 107 3PZ -0.07314 0.02970 0.03760 -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 0.00202 -0.00422 0.00139 -0.00516 -0.00033 115 2S -0.02016 0.00453 0.00300 0.00341 0.00089 116 2PX 0.26809 0.00927 -0.03054 0.08666 0.00461 117 2PY 0.11169 0.05169 -0.02308 0.05177 -0.00097 118 2PZ 0.19639 0.05348 -0.01926 -0.01450 -0.00524 119 3S 0.00361 0.01892 -0.01020 0.01950 0.00005 120 3PX 0.19411 0.00359 -0.01539 0.06568 0.00287 121 3PY 0.05636 0.02917 -0.00973 0.02471 -0.00028 122 3PZ 0.14704 0.04799 -0.01176 -0.01044 -0.00332 123 4XX 0.00019 -0.00029 0.00040 0.00054 -0.00007 124 4YY -0.00637 -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 -0.00227 -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 -0.00474 -0.01306 0.00239 131 2PX -0.03798 0.02765 -0.00702 -0.02077 0.00532 132 2PY 0.01708 -0.01352 -0.02065 0.00321 0.00217 133 2PZ 0.02275 0.00403 0.00927 -0.00388 -0.00087 134 3S -0.03457 0.03149 -0.00631 -0.02405 0.00227 135 3PX -0.01293 -0.00019 -0.00292 -0.00530 0.00193 136 3PY -0.00064 -0.00433 -0.00650 -0.00196 0.00087 137 3PZ 0.01408 -0.00487 0.01108 -0.00357 -0.00094 138 4XX 0.00397 -0.00505 0.00106 0.00355 -0.00032 139 4YY -0.00059 0.00242 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 -0.02598 0.00819 -0.00800 -0.00705 0.00146 145 2S -0.01280 0.00172 -0.00087 -0.00645 0.00034 146 15 H 1S 0.02441 -0.02303 0.00592 0.01597 -0.00286 147 2S 0.03524 -0.04943 0.00927 0.03248 -0.00323 148 16 C 1S 0.00298 -0.00715 0.00013 0.00882 -0.00034 149 2S -0.02525 0.02161 0.00871 -0.02309 0.00064 150 2PX -0.00813 0.02349 0.01131 -0.01529 -0.00125 151 2PY -0.04043 0.02178 0.02224 -0.01288 0.00065 152 2PZ -0.00102 -0.03432 -0.01032 0.00852 0.00030 153 3S -0.01584 0.02722 0.00052 -0.02744 0.00113 154 3PX 0.00387 0.02707 0.00569 -0.01734 -0.00082 155 3PY -0.00446 0.00508 -0.00401 0.00058 0.00052 156 3PZ 0.00932 -0.03302 -0.01610 0.01289 0.00056 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 0.00135 0.00000 160 4XY 0.00088 -0.00091 -0.00113 0.00057 -0.00002 161 4XZ -0.00251 0.00542 -0.00124 -0.00391 0.00006 162 4YZ 0.00053 -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 0.00375 0.00050 165 18 C 1S 0.00626 0.00055 -0.00176 0.00212 -0.00015 166 2S -0.01339 -0.00133 0.00238 -0.00547 0.00036 167 2PX -0.03555 0.08381 -0.01665 -0.05242 0.00045 168 2PY -0.00475 0.01024 0.00150 -0.00333 -0.00025 169 2PZ 0.03422 -0.02329 0.00438 0.02730 -0.00024 170 3S -0.02485 0.00946 0.02374 -0.00871 -0.00125 171 3PX -0.02657 0.06245 -0.01402 -0.04431 0.00021 172 3PY -0.00834 0.01440 0.00543 -0.01130 -0.00058 173 3PZ 0.02361 -0.03104 -0.00323 0.02222 0.00041 174 4XX 0.00125 -0.00076 -0.00042 0.00083 -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 0.00046 -0.00148 0.00033 0.00014 -0.00002 180 19 H 1S 0.00377 0.00501 0.00061 0.00007 0.00012 181 2S 0.00010 0.01576 0.00160 -0.00601 -0.00012 182 20 C 1S 0.01395 -0.00429 0.00077 -0.00187 -0.00141 183 2S 0.00293 0.00446 -0.01057 0.01156 0.00265 184 2PX 0.02584 -0.08701 0.00039 0.06898 0.00059 185 2PY -0.02239 0.01612 0.02027 -0.00348 -0.00179 186 2PZ -0.00316 0.05255 -0.00051 -0.02783 -0.00455 187 3S 0.00038 0.01465 -0.00925 0.01976 0.00317 188 3PX -0.00311 -0.05792 0.00282 0.04285 0.00115 189 3PY 0.00353 -0.00090 0.00836 0.00153 -0.00050 190 3PZ -0.00866 0.04243 0.00176 -0.02065 -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 -0.00217 -0.00177 0.00024 196 4YZ 0.00041 -0.00150 -0.00073 0.00035 0.00015 197 21 H 1S -0.02220 0.01992 0.00742 -0.00517 0.00065 198 2S -0.04323 0.02642 0.00699 -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 -0.00824 -0.00080 201 2PX -0.04087 0.01006 -0.02333 -0.00628 0.00315 202 2PY 0.00489 0.00168 -0.00179 -0.00163 -0.00050 203 2PZ 0.00990 -0.02545 0.01585 0.00353 0.00071 204 3S 0.02344 -0.02849 -0.01174 0.01374 -0.00010 205 3PX -0.03343 0.01787 -0.01978 -0.00844 0.00205 206 3PY -0.00412 0.00649 0.00428 -0.00896 -0.00083 207 3PZ 0.00325 0.00108 0.01071 -0.00019 -0.00028 208 4XX 0.00005 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 0.00107 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 -0.00076 -0.00370 0.00076 215 2S -0.00115 -0.00752 -0.00143 -0.00277 0.00104 11 12 13 14 15 11 4YY 0.00091 12 4ZZ -0.00025 0.00090 13 4XY -0.00001 -0.00025 0.00093 14 4XZ -0.00030 0.00016 0.00018 0.00064 15 4YZ 0.00011 -0.00030 0.00036 -0.00020 0.00124 16 2 C 1S -0.00645 0.00258 0.00044 0.00070 -0.00041 17 2S 0.01086 -0.00613 -0.00094 -0.00139 0.00058 18 2PX -0.00006 0.00016 -0.01289 -0.00126 -0.00039 19 2PY 0.00629 -0.01011 -0.00162 -0.00196 -0.00096 20 2PZ 0.00002 -0.00083 0.00037 0.00103 -0.01298 21 3S 0.01296 -0.00499 -0.00017 -0.00257 -0.00025 22 3PX -0.00056 0.00066 -0.00859 -0.00140 0.00126 23 3PY 0.00333 -0.00297 -0.00059 -0.00143 0.00085 24 3PZ 0.00011 0.00010 0.00195 0.00103 -0.00682 25 4XX -0.00037 0.00028 -0.00008 0.00004 -0.00014 26 4YY 0.00003 -0.00025 0.00002 0.00015 -0.00009 27 4ZZ -0.00025 0.00038 0.00025 0.00004 0.00025 28 4XY -0.00002 -0.00025 0.00030 0.00017 0.00053 29 4XZ 0.00015 0.00004 -0.00017 -0.00002 0.00014 30 4YZ 0.00009 -0.00025 0.00053 -0.00014 0.00089 31 3 C 1S -0.00058 -0.00048 0.00146 0.00009 0.00140 32 2S 0.00103 0.00127 -0.00307 -0.00021 -0.00291 33 2PX -0.00161 -0.00123 0.00261 -0.00062 0.00607 34 2PY 0.00159 0.00016 -0.00419 0.00002 -0.00272 35 2PZ -0.00154 -0.00076 0.00582 0.00081 0.00216 36 3S -0.00024 0.00168 -0.00285 0.00023 -0.00373 37 3PX -0.00005 -0.00063 -0.00023 -0.00051 0.00150 38 3PY 0.00033 -0.00095 -0.00143 -0.00008 -0.00094 39 3PZ -0.00010 -0.00055 0.00105 0.00024 -0.00031 40 4XX 0.00004 0.00004 0.00031 0.00008 -0.00024 41 4YY 0.00012 -0.00029 -0.00001 -0.00012 0.00013 42 4ZZ -0.00003 0.00011 -0.00007 0.00000 0.00036 43 4XY -0.00022 -0.00001 0.00013 -0.00002 0.00049 44 4XZ 0.00013 0.00001 -0.00008 -0.00001 0.00011 45 4YZ -0.00023 0.00009 0.00063 0.00012 0.00006 46 4 C 1S 0.00003 -0.00012 -0.00046 0.00018 -0.00034 47 2S -0.00002 -0.00005 0.00115 -0.00027 0.00088 48 2PX 0.00077 -0.00163 -0.00110 -0.00095 -0.00073 49 2PY 0.00106 -0.00037 -0.00118 -0.00105 -0.00165 50 2PZ 0.00026 0.00121 -0.00109 0.00023 -0.00147 51 3S -0.00021 0.00025 0.00289 -0.00043 0.00281 52 3PX 0.00043 -0.00093 -0.00082 -0.00037 -0.00092 53 3PY 0.00044 -0.00008 -0.00150 -0.00055 -0.00141 54 3PZ -0.00006 0.00063 -0.00078 0.00024 -0.00131 55 4XX 0.00002 0.00003 0.00002 0.00003 -0.00014 56 4YY -0.00004 0.00003 0.00005 0.00002 0.00001 57 4ZZ 0.00002 -0.00001 -0.00015 -0.00001 0.00001 58 4XY 0.00004 -0.00018 0.00015 -0.00009 0.00006 59 4XZ 0.00001 0.00001 -0.00009 0.00003 -0.00008 60 4YZ 0.00003 -0.00003 0.00011 -0.00008 0.00015 61 5 C 1S 0.00028 -0.00093 0.00051 -0.00054 0.00067 62 2S -0.00041 0.00206 -0.00091 0.00115 -0.00153 63 2PX 0.00210 -0.00550 0.00208 -0.00325 0.00057 64 2PY -0.00089 0.00197 -0.00084 0.00160 -0.00053 65 2PZ 0.00212 -0.00171 0.00102 -0.00274 0.00244 66 3S -0.00022 0.00383 -0.00279 0.00020 -0.00410 67 3PX 0.00135 -0.00316 0.00183 -0.00128 0.00108 68 3PY 0.00028 0.00140 -0.00117 0.00011 -0.00138 69 3PZ 0.00127 -0.00069 0.00095 -0.00092 0.00212 70 4XX -0.00005 0.00003 0.00011 0.00006 0.00018 71 4YY 0.00017 0.00001 -0.00001 -0.00013 -0.00005 72 4ZZ -0.00008 -0.00016 0.00015 0.00012 0.00007 73 4XY 0.00002 -0.00016 0.00010 -0.00011 0.00001 74 4XZ -0.00013 0.00000 0.00014 0.00022 0.00013 75 4YZ 0.00007 -0.00020 0.00004 -0.00014 0.00014 76 6 C 1S 0.00050 -0.00068 -0.00402 -0.00357 -0.00331 77 2S -0.00236 0.00029 0.00797 0.00742 0.00642 78 2PX 0.00167 0.00028 -0.00490 -0.00344 -0.00771 79 2PY 0.00969 -0.00009 -0.00037 -0.00750 -0.00048 80 2PZ 0.00113 0.00747 -0.00749 -0.00137 -0.00269 81 3S -0.00247 0.00054 0.00504 0.00458 0.00689 82 3PX -0.00071 -0.00149 -0.00040 -0.00047 -0.00270 83 3PY -0.00095 0.00166 -0.00196 -0.00148 -0.00189 84 3PZ 0.00046 0.00201 -0.00169 0.00021 0.00071 85 4XX -0.00046 0.00006 -0.00009 -0.00006 -0.00036 86 4YY 0.00071 -0.00026 -0.00010 -0.00037 0.00013 87 4ZZ -0.00032 0.00030 -0.00045 0.00017 -0.00048 88 4XY -0.00025 -0.00047 0.00043 -0.00003 0.00014 89 4XZ -0.00028 0.00018 0.00003 0.00047 -0.00016 90 4YZ -0.00022 -0.00019 -0.00011 0.00028 0.00034 91 7 H 1S -0.00404 0.00768 -0.00528 0.00574 -0.01190 92 2S -0.00323 0.00734 -0.00536 0.00340 -0.01004 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 -0.00005 0.00042 -0.00073 0.00025 -0.00059 96 2S -0.00002 0.00098 -0.00224 0.00040 -0.00169 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 -0.00367 -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 0.00094 -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 -0.00725 -0.00261 0.00087 -0.00077 -0.00391 117 2PY -0.00753 0.00258 -0.00534 0.00369 -0.00288 118 2PZ -0.00216 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 0.00207 -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 -0.00110 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 -0.00046 -0.00053 -0.00021 0.00063 0.00077 145 2S -0.00027 0.00016 -0.00012 0.00145 0.00048 146 15 H 1S 0.00049 0.00086 0.00055 0.00017 -0.00099 147 2S 0.00067 0.00078 0.00173 -0.00002 -0.00182 148 16 C 1S 0.00001 -0.00017 -0.00036 -0.00011 0.00047 149 2S 0.00003 0.00044 0.00044 0.00039 -0.00046 150 2PX 0.00015 -0.00020 0.00661 0.00229 -0.00434 151 2PY 0.00001 0.00026 0.00139 0.00045 -0.00058 152 2PZ -0.00007 0.00055 -0.00292 -0.00109 0.00279 153 3S 0.00004 -0.00010 -0.00035 -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 -0.00129 -0.00125 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 -0.00207 0.00287 -0.00344 -0.00522 0.00188 185 2PY 0.00193 -0.00084 -0.00098 0.00137 0.00051 186 2PZ 0.00100 0.00124 0.00231 0.00247 -0.00178 187 3S -0.00084 -0.00171 -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 0.00137 -0.00067 0.00284 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 0.00163 -0.00547 -0.00564 0.00350 202 2PY -0.00034 0.00014 0.00064 -0.00027 -0.00022 203 2PZ 0.00110 -0.00183 0.00156 0.00236 -0.00090 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 0.00146 -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 16 17 18 19 20 16 2 C 1S 2.05568 17 2S -0.05950 0.31926 18 2PX -0.00296 0.00998 0.35917 19 2PY 0.00291 -0.00011 -0.00507 0.42056 20 2PZ 0.00372 -0.00840 0.03787 0.00976 0.38844 21 3S -0.23340 0.34054 0.01472 -0.07885 0.06720 22 3PX 0.00048 -0.00476 0.21735 0.00157 -0.02301 23 3PY -0.00473 -0.00239 0.00528 0.13044 -0.01738 24 3PZ -0.01464 0.00449 -0.02886 -0.01732 0.19503 25 4XX -0.01278 -0.01075 0.00470 -0.00542 0.00410 26 4YY -0.01643 -0.00195 -0.00161 0.01322 -0.00057 27 4ZZ -0.01568 -0.00419 -0.00606 -0.01175 -0.00724 28 4XY 0.00033 -0.00080 -0.00272 0.00300 -0.01059 29 4XZ -0.00386 0.00785 0.00424 -0.00771 -0.00203 30 4YZ -0.00249 0.00482 -0.00993 -0.00268 -0.01181 31 3 C 1S 0.01430 -0.03003 -0.04839 0.03622 -0.04281 32 2S -0.03013 0.05493 0.10204 -0.08129 0.09184 33 2PX 0.04903 -0.09861 -0.08245 0.11691 -0.16417 34 2PY -0.03344 0.05880 0.11345 -0.06404 0.08366 35 2PZ 0.03985 -0.07953 -0.16453 0.08368 -0.06002 36 3S 0.01050 0.00990 0.08720 -0.06264 0.07431 37 3PX -0.00683 -0.00251 0.01177 0.01234 -0.02614 38 3PY 0.00870 0.00752 0.03669 0.02129 0.02419 39 3PZ -0.00530 0.00240 -0.02632 0.00808 0.01752 40 4XX -0.00256 0.00356 -0.00820 -0.00661 0.00597 41 4YY 0.00093 -0.00245 -0.00063 0.01290 -0.00267 42 4ZZ -0.00098 0.00037 0.00106 -0.00253 -0.01043 43 4XY 0.00529 -0.00977 -0.00521 0.00362 -0.01263 44 4XZ -0.00362 0.00645 0.00195 -0.00638 -0.00168 45 4YZ 0.00555 -0.01060 -0.01504 0.00448 -0.00354 46 4 C 1S -0.00575 0.01186 0.01560 -0.00631 0.01454 47 2S 0.01225 -0.02549 -0.03726 0.01339 -0.03212 48 2PX -0.01388 0.03169 0.02564 -0.02105 0.04016 49 2PY -0.00747 0.01644 0.01993 -0.01615 0.02265 50 2PZ -0.01521 0.03358 0.04962 -0.01713 0.03256 51 3S 0.02144 -0.05705 -0.09146 0.03599 -0.08713 52 3PX -0.00541 0.01684 0.01370 -0.00917 0.03424 53 3PY -0.01024 0.01018 0.03679 -0.01373 0.03487 54 3PZ -0.00519 0.01524 0.03353 -0.00350 0.02093 55 4XX -0.00092 0.00172 0.00070 -0.00172 0.00479 56 4YY 0.00029 -0.00040 -0.00273 0.00048 -0.00168 57 4ZZ -0.00065 0.00114 0.00501 -0.00083 0.00071 58 4XY 0.00047 -0.00098 -0.00243 0.00012 -0.00024 59 4XZ -0.00070 0.00136 0.00314 -0.00141 0.00334 60 4YZ 0.00072 -0.00136 -0.00083 0.00092 -0.00240 61 5 C 1S -0.00073 0.00096 0.00512 0.00244 0.00084 62 2S 0.00028 -0.00164 -0.01359 -0.00594 0.00011 63 2PX -0.00242 0.00755 -0.00857 0.00492 0.02033 64 2PY -0.00158 0.00270 0.00620 0.00208 0.00775 65 2PZ -0.00220 0.00497 0.03004 0.01366 -0.01446 66 3S 0.00700 0.00151 -0.02422 -0.00664 -0.00651 67 3PX -0.00548 0.00815 -0.01206 0.00156 0.01268 68 3PY -0.00245 -0.00245 -0.00127 0.00849 0.00438 69 3PZ -0.00490 0.00589 0.02076 0.00884 -0.01396 70 4XX -0.00017 0.00004 -0.00068 -0.00065 0.00079 71 4YY 0.00007 0.00003 -0.00094 0.00075 -0.00007 72 4ZZ -0.00003 -0.00017 0.00112 -0.00008 -0.00043 73 4XY 0.00038 -0.00097 -0.00074 0.00187 -0.00148 74 4XZ 0.00017 -0.00024 -0.00008 -0.00059 0.00054 75 4YZ 0.00044 -0.00104 -0.00119 0.00155 -0.00154 76 6 C 1S -0.00330 0.00758 0.00220 0.01401 0.00381 77 2S 0.00880 -0.01833 -0.01245 -0.03691 -0.00608 78 2PX -0.00739 0.01899 0.01573 0.03465 0.00841 79 2PY -0.00944 0.02334 0.00378 0.03551 0.00902 80 2PZ -0.00832 0.01802 -0.00754 0.01198 0.01812 81 3S -0.00273 -0.01122 0.00368 -0.05527 -0.04139 82 3PX 0.00029 0.00379 0.01025 0.00599 0.01608 83 3PY 0.01160 -0.01306 -0.00394 -0.01756 -0.00213 84 3PZ -0.00426 0.00969 0.00609 0.00286 0.01369 85 4XX 0.00037 -0.00096 -0.00583 -0.00458 0.00358 86 4YY -0.00186 0.00374 0.00206 0.00969 -0.00003 87 4ZZ 0.00073 -0.00160 0.00272 -0.00168 -0.00254 88 4XY -0.00042 0.00085 -0.00193 0.00171 0.00197 89 4XZ 0.00047 -0.00110 -0.00046 -0.00175 0.00053 90 4YZ 0.00040 -0.00045 0.00551 0.00266 -0.00284 91 7 H 1S 0.01233 -0.02671 0.01146 -0.03916 0.01263 92 2S 0.01576 -0.02921 0.02532 -0.06273 0.02820 93 8 H 1S -0.06040 0.11597 -0.09472 -0.13178 -0.21154 94 2S -0.01007 0.02369 -0.08516 -0.09673 -0.18159 95 9 H 1S -0.00680 0.01425 0.02059 -0.00870 0.01857 96 2S -0.01484 0.02811 0.05277 -0.02487 0.04343 97 10 H 1S 0.00074 -0.00096 0.00063 0.00861 -0.00275 98 2S 0.00640 -0.01073 -0.00122 0.00616 -0.01199 99 11 O 1S -0.00276 0.00534 0.00291 -0.01027 0.00120 100 2S 0.00589 -0.01292 -0.00992 0.02336 -0.00540 101 2PX -0.02537 0.04072 0.01510 -0.06183 0.06339 102 2PY 0.01300 -0.02148 -0.03280 0.03617 -0.01805 103 2PZ -0.02342 0.04809 0.06476 -0.04729 0.00619 104 3S 0.00882 -0.00220 0.00450 0.05465 0.01147 105 3PX -0.01958 0.03352 0.00897 -0.05372 0.05602 106 3PY 0.00725 -0.00884 -0.01717 0.02915 -0.00300 107 3PZ -0.01822 0.03921 0.06156 -0.03921 0.00364 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 -0.00565 -0.00104 115 2S -0.00232 0.00537 0.00193 0.01222 0.00009 116 2PX 0.00801 -0.01239 -0.02514 -0.04466 0.01501 117 2PY 0.00740 -0.01879 0.00352 -0.03075 -0.00738 118 2PZ 0.00932 -0.01407 0.03714 -0.00954 -0.02052 119 3S -0.00878 0.01636 0.00292 0.03908 0.01520 120 3PX 0.00578 -0.01010 -0.02274 -0.03663 0.00836 121 3PY 0.00545 -0.01376 0.00369 -0.02576 -0.01010 122 3PZ 0.00745 -0.01231 0.02789 -0.00746 -0.01871 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 0.00041 0.00302 130 2S 0.00584 -0.01203 0.03030 -0.00334 -0.00774 131 2PX 0.00831 -0.01765 0.03375 -0.00332 -0.01274 132 2PY -0.00041 0.00510 0.00112 -0.00557 -0.01283 133 2PZ -0.00283 0.00504 -0.00540 -0.00486 -0.01289 134 3S 0.00917 -0.02069 0.05281 -0.00510 -0.02010 135 3PX 0.00344 -0.00561 -0.00037 0.00369 -0.00297 136 3PY -0.00062 0.00343 -0.00474 -0.00284 -0.00597 137 3PZ -0.00383 0.00479 -0.00988 -0.01949 -0.01329 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 0.00030 -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 0.00460 -0.00834 0.02095 0.00122 -0.00172 145 2S 0.00058 -0.00144 0.01126 -0.00937 -0.00844 146 15 H 1S -0.00542 0.01041 -0.03258 -0.00194 0.01284 147 2S -0.00775 0.01598 -0.07260 -0.00178 0.03248 148 16 C 1S -0.00218 0.00219 0.00677 -0.00074 -0.00720 149 2S 0.00169 -0.01447 -0.00989 0.00194 0.00960 150 2PX -0.00918 0.01121 -0.13338 -0.02346 0.08121 151 2PY -0.00199 -0.00056 -0.01645 -0.01291 0.00657 152 2PZ 0.00253 -0.00246 0.05612 0.00926 -0.05393 153 3S 0.01602 -0.01269 0.00208 0.01355 0.02921 154 3PX 0.00305 -0.00218 -0.08489 -0.01375 0.05590 155 3PY 0.00327 0.00228 -0.00054 0.01260 0.00151 156 3PZ 0.00073 0.00202 0.05376 0.01905 -0.02395 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 -0.00158 0.00191 0.00129 161 4XZ 0.00124 -0.00319 0.00557 0.00251 -0.00141 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 0.02867 0.02588 -0.02110 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 -0.00023 0.00067 0.00610 169 2PZ -0.00418 0.01311 -0.00999 -0.00416 0.02128 170 3S -0.00204 -0.00289 -0.03607 -0.01224 0.00480 171 3PX 0.00777 -0.01811 0.01456 0.01614 -0.01044 172 3PY 0.00161 -0.00164 -0.00332 0.00182 0.01677 173 3PZ -0.00185 0.00856 0.00680 0.00422 0.00835 174 4XX -0.00055 0.00065 0.00147 0.00037 -0.00053 175 4YY -0.00015 0.00008 0.00150 0.00047 -0.00103 176 4ZZ -0.00041 -0.00025 -0.00242 -0.00082 0.00121 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 0.00010 -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 -0.00695 -0.01873 184 2PX 0.00160 -0.00359 0.01973 -0.02130 -0.01247 185 2PY -0.00502 0.00693 -0.01966 0.01450 0.01233 186 2PZ -0.00177 0.00437 -0.02070 0.01063 0.01574 187 3S -0.00154 -0.00127 0.03341 0.00501 -0.02242 188 3PX 0.00006 -0.00174 0.02747 -0.01897 -0.01915 189 3PY 0.00158 0.00048 -0.00401 -0.01356 -0.00617 190 3PZ -0.00375 0.00543 -0.03186 0.02256 0.01718 191 4XX -0.00036 0.00059 -0.00376 -0.00123 0.00193 192 4YY 0.00003 -0.00038 0.00210 0.00048 -0.00116 193 4ZZ 0.00000 0.00021 -0.00160 -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 -0.00233 0.02354 0.00594 199 22 C 1S -0.00071 0.00013 -0.00149 0.00043 0.00056 200 2S 0.00122 0.00021 0.00522 0.00150 -0.00145 201 2PX 0.00844 -0.01896 0.08498 0.00523 -0.07280 202 2PY -0.00103 0.00062 -0.00742 -0.00122 0.00586 203 2PZ -0.00466 0.00691 -0.03499 0.00060 0.02726 204 3S 0.00328 -0.00104 0.01300 -0.01907 -0.01107 205 3PX 0.00535 -0.01142 0.06737 0.00860 -0.06149 206 3PY -0.00050 0.00033 -0.01280 0.00154 0.01820 207 3PZ -0.00546 0.00757 -0.03797 0.00805 0.02940 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 -0.00057 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 0.01302 -0.00269 -0.01412 21 22 23 24 25 21 3S 0.55232 22 3PX 0.00104 0.14605 23 3PY 0.01285 0.00735 0.07150 24 3PZ 0.07387 -0.03721 -0.01105 0.11604 25 4XX -0.00898 0.00230 -0.00089 0.00164 0.00093 26 4YY -0.00621 -0.00092 0.00199 -0.00146 -0.00013 27 4ZZ -0.00269 -0.00287 -0.00270 -0.00254 0.00020 28 4XY -0.00210 -0.00018 0.00232 -0.00485 -0.00012 29 4XZ 0.00806 0.00193 -0.00230 -0.00125 -0.00015 30 4YZ 0.00550 -0.00461 -0.00064 -0.00387 -0.00037 31 3 C 1S 0.02147 -0.00201 0.01943 0.00470 -0.00240 32 2S -0.00342 0.01795 -0.03210 0.00732 0.00396 33 2PX -0.13525 -0.03627 0.06599 -0.07117 0.00421 34 2PY 0.11988 0.06383 0.01826 0.06105 0.00303 35 2PZ -0.11687 -0.09359 0.04988 -0.02878 -0.00344 36 3S -0.04748 0.01689 -0.01979 0.00297 0.00431 37 3PX 0.01866 0.01173 0.01055 -0.00365 0.00200 38 3PY -0.02521 0.00861 0.00082 -0.00393 0.00088 39 3PZ 0.00536 -0.01651 0.00061 0.00441 -0.00233 40 4XX 0.01387 -0.00442 -0.00077 0.00719 -0.00002 41 4YY -0.00701 0.00040 0.00247 -0.00313 -0.00022 42 4ZZ 0.00157 0.00298 0.00097 -0.00337 -0.00016 43 4XY -0.02525 -0.00198 0.00002 -0.00878 -0.00003 44 4XZ 0.00724 0.00090 -0.00159 -0.00092 -0.00012 45 4YZ -0.02372 -0.01027 -0.00039 -0.00046 0.00036 46 4 C 1S 0.02803 0.00960 -0.00596 0.00732 -0.00039 47 2S -0.06314 -0.02523 0.00648 -0.01698 0.00064 48 2PX 0.09763 0.02739 -0.02913 0.02462 0.00055 49 2PY 0.04056 0.00854 -0.01435 0.00733 -0.00118 50 2PZ 0.09606 0.04226 -0.02711 0.02495 -0.00423 51 3S -0.16553 -0.04543 0.00213 -0.03362 0.00109 52 3PX 0.04214 0.00801 -0.01548 0.01276 0.00077 53 3PY 0.00278 0.02154 -0.01961 0.01593 0.00052 54 3PZ 0.02883 0.01957 -0.01373 0.00808 -0.00192 55 4XX 0.00298 0.00012 -0.00080 0.00248 -0.00008 56 4YY -0.00007 -0.00159 -0.00049 -0.00109 -0.00012 57 4ZZ 0.00151 0.00286 0.00000 0.00016 0.00020 58 4XY -0.00442 -0.00247 0.00037 -0.00138 0.00010 59 4XZ 0.00138 0.00134 -0.00039 0.00144 0.00008 60 4YZ -0.00425 -0.00153 0.00134 -0.00175 0.00010 61 5 C 1S 0.00022 0.00489 0.00124 0.00211 0.00009 62 2S 0.00996 -0.01034 0.00062 -0.00037 -0.00038 63 2PX 0.00248 -0.01074 -0.00717 0.00081 0.00173 64 2PY 0.01056 0.00717 0.01008 0.00812 0.00077 65 2PZ 0.00268 0.01585 0.00564 -0.00926 -0.00148 66 3S 0.05835 -0.01861 0.02816 -0.00553 -0.00135 67 3PX 0.00944 -0.00920 -0.00496 0.00278 0.00083 68 3PY -0.02920 0.00114 -0.00257 0.00438 0.00068 69 3PZ 0.01404 0.01301 0.00678 -0.00467 -0.00089 70 4XX 0.00029 -0.00034 -0.00036 0.00064 -0.00003 71 4YY -0.00009 -0.00068 0.00035 0.00006 0.00000 72 4ZZ -0.00083 0.00049 -0.00012 -0.00039 0.00008 73 4XY -0.00418 -0.00124 0.00117 -0.00119 -0.00004 74 4XZ -0.00027 -0.00026 -0.00039 0.00029 0.00001 75 4YZ -0.00373 -0.00131 0.00137 -0.00151 0.00015 76 6 C 1S -0.01196 -0.00060 -0.00024 -0.00401 -0.00022 77 2S 0.00041 -0.00815 -0.01060 0.00425 0.00062 78 2PX 0.01407 0.01175 0.00920 0.00199 0.00028 79 2PY 0.07420 0.00272 0.04309 0.00672 -0.00015 80 2PZ 0.03483 0.00979 0.00219 0.01603 -0.00104 81 3S 0.01572 0.01214 -0.01291 -0.01253 0.00056 82 3PX -0.00106 0.00356 -0.00779 0.00653 0.00030 83 3PY -0.02640 -0.00173 -0.00919 -0.00437 0.00034 84 3PZ 0.02458 0.00870 -0.00260 0.00963 -0.00050 85 4XX -0.00367 -0.00373 -0.00483 0.00226 -0.00001 86 4YY 0.00454 0.00108 0.00468 -0.00093 -0.00015 87 4ZZ -0.00364 0.00183 -0.00038 -0.00147 0.00005 88 4XY -0.00539 -0.00152 -0.00473 0.00109 -0.00018 89 4XZ -0.00241 -0.00040 -0.00147 0.00043 0.00007 90 4YZ -0.00843 0.00429 -0.00301 -0.00287 0.00015 91 7 H 1S -0.04698 0.00652 -0.02109 0.00997 0.00135 92 2S -0.02017 0.01354 -0.01611 0.01770 0.00221 93 8 H 1S 0.11211 -0.03926 -0.03218 -0.08496 -0.00524 94 2S -0.00280 -0.03307 -0.02222 -0.07425 -0.00224 95 9 H 1S 0.04514 0.02151 -0.01478 0.01577 -0.00069 96 2S 0.08858 0.04110 -0.01264 0.03016 -0.00038 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 0.00202 -0.00422 -0.00139 -0.00516 -0.00033 100 2S -0.02016 0.00453 -0.00300 0.00341 0.00089 101 2PX 0.26809 0.00927 0.03054 0.08666 0.00461 102 2PY -0.11169 -0.05169 -0.02308 -0.05176 0.00097 103 2PZ 0.19639 0.05348 0.01926 -0.01450 -0.00524 104 3S 0.00361 0.01892 0.01020 0.01950 0.00005 105 3PX 0.19411 0.00359 0.01539 0.06568 0.00287 106 3PY -0.05636 -0.02917 -0.00973 -0.02470 0.00028 107 3PZ 0.14704 0.04799 0.01176 -0.01044 -0.00332 108 4XX 0.00019 -0.00029 -0.00040 0.00054 -0.00007 109 4YY -0.00637 -0.00270 -0.00204 -0.00303 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 -0.00168 0.00161 -0.00194 0.00184 0.00016 115 2S 0.01150 -0.00228 0.00806 -0.00317 -0.00031 116 2PX -0.11203 -0.01615 -0.09698 0.00945 -0.00021 117 2PY -0.07054 0.00333 -0.03528 -0.01027 0.00031 118 2PZ -0.09390 0.04197 -0.05297 -0.01826 0.00221 119 3S 0.01264 -0.00543 0.01079 0.00324 -0.00095 120 3PX -0.07837 -0.01432 -0.06899 0.00663 -0.00025 121 3PY -0.04086 0.00410 -0.02084 -0.00900 0.00042 122 3PZ -0.07314 0.02970 -0.03760 -0.01612 0.00175 123 4XX -0.00061 0.00012 -0.00017 -0.00056 0.00002 124 4YY 0.00289 -0.00032 0.00108 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 -0.02314 0.01914 0.00474 -0.01306 0.00239 131 2PX -0.03798 0.02765 0.00702 -0.02077 0.00532 132 2PY -0.01708 0.01352 -0.02065 -0.00321 -0.00217 133 2PZ 0.02275 0.00403 -0.00927 -0.00388 -0.00087 134 3S -0.03457 0.03149 0.00631 -0.02405 0.00227 135 3PX -0.01293 -0.00019 0.00292 -0.00530 0.00193 136 3PY 0.00064 0.00433 -0.00650 0.00196 -0.00087 137 3PZ 0.01408 -0.00487 -0.01108 -0.00357 -0.00094 138 4XX 0.00397 -0.00505 -0.00106 0.00355 -0.00032 139 4YY -0.00059 0.00242 -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 -0.02598 0.00819 0.00800 -0.00705 0.00146 145 2S -0.01280 0.00173 0.00087 -0.00645 0.00034 146 15 H 1S 0.02441 -0.02303 -0.00592 0.01597 -0.00286 147 2S 0.03524 -0.04943 -0.00927 0.03248 -0.00323 148 16 C 1S 0.01395 -0.00429 -0.00077 -0.00187 -0.00141 149 2S 0.00293 0.00446 0.01057 0.01156 0.00265 150 2PX 0.02584 -0.08701 -0.00039 0.06898 0.00059 151 2PY 0.02239 -0.01612 0.02027 0.00348 0.00179 152 2PZ -0.00316 0.05255 0.00051 -0.02783 -0.00455 153 3S 0.00039 0.01465 0.00925 0.01976 0.00317 154 3PX -0.00311 -0.05792 -0.00282 0.04285 0.00115 155 3PY -0.00353 0.00090 0.00836 -0.00153 0.00050 156 3PZ -0.00866 0.04243 -0.00176 -0.02065 -0.00255 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 -0.00042 -0.00047 0.00023 0.00095 -0.00005 161 4XZ -0.00461 0.00411 0.00217 -0.00177 0.00024 162 4YZ -0.00041 0.00150 -0.00073 -0.00035 -0.00015 163 17 H 1S -0.02220 0.01992 -0.00742 -0.00517 0.00065 164 2S -0.04323 0.02642 -0.00699 -0.01906 -0.00036 165 18 C 1S 0.00102 -0.00364 -0.00106 0.00376 0.00003 166 2S -0.00103 0.01387 0.00560 -0.00824 -0.00080 167 2PX -0.04087 0.01006 0.02333 -0.00628 0.00315 168 2PY -0.00489 -0.00168 -0.00179 0.00163 0.00050 169 2PZ 0.00990 -0.02545 -0.01585 0.00353 0.00071 170 3S 0.02344 -0.02849 0.01174 0.01373 -0.00010 171 3PX -0.03343 0.01787 0.01978 -0.00844 0.00205 172 3PY 0.00412 -0.00649 0.00428 0.00896 0.00083 173 3PZ 0.00325 0.00108 -0.01071 -0.00019 -0.00028 174 4XX 0.00005 0.00062 -0.00033 -0.00075 -0.00006 175 4YY -0.00174 0.00073 -0.00061 -0.00117 0.00003 176 4ZZ 0.00098 -0.00137 0.00064 0.00107 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 -0.00061 -0.00036 0.00154 -0.00010 180 19 H 1S -0.00219 -0.00585 0.00076 -0.00370 0.00076 181 2S -0.00115 -0.00752 0.00143 -0.00277 0.00104 182 20 C 1S 0.00298 -0.00715 -0.00013 0.00882 -0.00034 183 2S -0.02525 0.02161 -0.00871 -0.02309 0.00064 184 2PX -0.00813 0.02349 -0.01131 -0.01529 -0.00125 185 2PY 0.04043 -0.02178 0.02224 0.01288 -0.00065 186 2PZ -0.00102 -0.03432 0.01032 0.00852 0.00030 187 3S -0.01584 0.02722 -0.00052 -0.02744 0.00113 188 3PX 0.00387 0.02708 -0.00569 -0.01734 -0.00082 189 3PY 0.00446 -0.00508 -0.00401 -0.00058 -0.00052 190 3PZ 0.00932 -0.03302 0.01610 0.01289 0.00056 191 4XX 0.00161 -0.00212 -0.00141 0.00215 -0.00022 192 4YY 0.00088 0.00167 0.00167 -0.00096 0.00017 193 4ZZ -0.00023 -0.00207 -0.00056 0.00135 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 -0.00447 0.02549 0.00375 0.00050 199 22 C 1S 0.00626 0.00055 0.00176 0.00212 -0.00015 200 2S -0.01339 -0.00133 -0.00238 -0.00548 0.00036 201 2PX -0.03555 0.08381 0.01665 -0.05242 0.00045 202 2PY 0.00475 -0.01024 0.00150 0.00333 0.00025 203 2PZ 0.03422 -0.02329 -0.00438 0.02730 -0.00024 204 3S -0.02485 0.00946 -0.02374 -0.00871 -0.00125 205 3PX -0.02657 0.06245 0.01402 -0.04431 0.00021 206 3PY 0.00834 -0.01440 0.00543 0.01129 0.00058 207 3PZ 0.02361 -0.03104 0.00323 0.02222 0.00041 208 4XX 0.00125 -0.00076 0.00042 0.00083 -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 0.00007 0.00012 215 2S 0.00010 0.01576 -0.00160 -0.00601 -0.00012 26 27 28 29 30 26 4YY 0.00091 27 4ZZ -0.00025 0.00090 28 4XY 0.00001 0.00025 0.00093 29 4XZ -0.00030 0.00016 -0.00018 0.00064 30 4YZ -0.00011 0.00030 0.00036 0.00020 0.00124 31 3 C 1S 0.00050 -0.00068 0.00402 -0.00357 0.00331 32 2S -0.00236 0.00029 -0.00797 0.00742 -0.00642 33 2PX 0.00167 0.00028 0.00490 -0.00344 0.00771 34 2PY -0.00969 0.00009 -0.00037 0.00750 -0.00048 35 2PZ 0.00113 0.00747 0.00749 -0.00137 0.00269 36 3S -0.00247 0.00054 -0.00504 0.00458 -0.00689 37 3PX -0.00071 -0.00149 0.00040 -0.00047 0.00270 38 3PY 0.00095 -0.00166 -0.00196 0.00148 -0.00189 39 3PZ 0.00046 0.00201 0.00169 0.00021 -0.00071 40 4XX -0.00046 0.00006 0.00009 -0.00006 0.00036 41 4YY 0.00071 -0.00026 0.00010 -0.00037 -0.00013 42 4ZZ -0.00032 0.00030 0.00045 0.00017 0.00048 43 4XY 0.00025 0.00047 0.00043 0.00003 0.00014 44 4XZ -0.00028 0.00018 -0.00003 0.00047 0.00016 45 4YZ 0.00022 0.00019 -0.00011 -0.00028 0.00034 46 4 C 1S 0.00028 -0.00093 -0.00051 -0.00054 -0.00067 47 2S -0.00041 0.00206 0.00091 0.00115 0.00153 48 2PX 0.00210 -0.00550 -0.00208 -0.00325 -0.00057 49 2PY 0.00089 -0.00197 -0.00084 -0.00160 -0.00053 50 2PZ 0.00212 -0.00171 -0.00102 -0.00274 -0.00244 51 3S -0.00022 0.00383 0.00279 0.00020 0.00410 52 3PX 0.00135 -0.00316 -0.00183 -0.00128 -0.00108 53 3PY -0.00028 -0.00140 -0.00117 -0.00011 -0.00138 54 3PZ 0.00127 -0.00069 -0.00095 -0.00092 -0.00212 55 4XX -0.00005 0.00003 -0.00011 0.00006 -0.00018 56 4YY 0.00017 0.00001 0.00001 -0.00013 0.00005 57 4ZZ -0.00008 -0.00016 -0.00015 0.00012 -0.00007 58 4XY -0.00002 0.00016 0.00010 0.00011 0.00001 59 4XZ -0.00013 0.00000 -0.00014 0.00022 -0.00013 60 4YZ -0.00007 0.00020 0.00004 0.00014 0.00014 61 5 C 1S 0.00003 -0.00012 0.00046 0.00018 0.00034 62 2S -0.00002 -0.00005 -0.00115 -0.00027 -0.00088 63 2PX 0.00077 -0.00163 0.00110 -0.00095 0.00073 64 2PY -0.00106 0.00037 -0.00118 0.00105 -0.00165 65 2PZ 0.00026 0.00121 0.00109 0.00023 0.00147 66 3S -0.00021 0.00025 -0.00289 -0.00043 -0.00281 67 3PX 0.00043 -0.00093 0.00082 -0.00037 0.00092 68 3PY -0.00044 0.00008 -0.00150 0.00055 -0.00141 69 3PZ -0.00006 0.00063 0.00078 0.00024 0.00131 70 4XX 0.00002 0.00003 -0.00002 0.00003 0.00014 71 4YY -0.00004 0.00003 -0.00005 0.00002 -0.00001 72 4ZZ 0.00002 -0.00001 0.00015 -0.00001 -0.00001 73 4XY -0.00004 0.00018 0.00015 0.00009 0.00006 74 4XZ 0.00001 0.00001 0.00009 0.00003 0.00008 75 4YZ -0.00003 0.00003 0.00011 0.00008 0.00015 76 6 C 1S -0.00058 -0.00048 -0.00146 0.00009 -0.00140 77 2S 0.00103 0.00127 0.00307 -0.00021 0.00291 78 2PX -0.00161 -0.00123 -0.00261 -0.00062 -0.00607 79 2PY -0.00159 -0.00016 -0.00419 -0.00002 -0.00272 80 2PZ -0.00154 -0.00076 -0.00582 0.00081 -0.00216 81 3S -0.00024 0.00168 0.00285 0.00023 0.00373 82 3PX -0.00005 -0.00063 0.00023 -0.00051 -0.00150 83 3PY -0.00033 0.00095 -0.00143 0.00008 -0.00094 84 3PZ -0.00010 -0.00055 -0.00105 0.00024 0.00031 85 4XX 0.00004 0.00004 -0.00031 0.00008 0.00024 86 4YY 0.00012 -0.00029 0.00001 -0.00012 -0.00013 87 4ZZ -0.00003 0.00011 0.00007 0.00000 -0.00036 88 4XY 0.00022 0.00001 0.00013 0.00002 0.00049 89 4XZ 0.00013 0.00001 0.00008 -0.00001 -0.00011 90 4YZ 0.00023 -0.00009 0.00063 -0.00012 0.00006 91 7 H 1S 0.00186 0.00066 -0.00344 -0.00020 -0.00831 92 2S -0.00094 0.00114 -0.00371 0.00016 -0.00793 93 8 H 1S -0.00404 0.00768 0.00528 0.00574 0.01190 94 2S -0.00323 0.00734 0.00536 0.00340 0.01004 95 9 H 1S 0.00080 -0.00163 -0.00111 -0.00098 -0.00107 96 2S -0.00050 -0.00224 -0.00171 -0.00032 -0.00211 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 0.00753 -0.00258 -0.00534 -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 -0.00179 0.00207 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 -0.00003 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 0.00068 0.00299 121 3PY 0.00000 0.00037 0.00094 0.00009 0.00018 122 3PZ 0.00008 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 -0.00110 -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 -0.00046 -0.00053 0.00021 0.00063 -0.00077 145 2S -0.00027 0.00016 0.00012 0.00145 -0.00048 146 15 H 1S 0.00049 0.00086 -0.00055 0.00017 0.00099 147 2S 0.00067 0.00078 -0.00173 -0.00002 0.00182 148 16 C 1S -0.00017 -0.00029 -0.00080 0.00098 0.00075 149 2S -0.00115 -0.00051 0.00190 -0.00283 -0.00157 150 2PX -0.00207 0.00287 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 0.00247 0.00178 153 3S -0.00084 -0.00171 0.00171 -0.00430 -0.00277 154 3PX -0.00108 0.00164 0.00278 -0.00375 -0.00217 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 -0.00350 168 2PY 0.00034 -0.00014 0.00064 0.00027 -0.00022 169 2PZ 0.00110 -0.00183 -0.00156 0.00236 0.00090 170 3S -0.00093 0.00164 0.00126 -0.00030 0.00032 171 3PX -0.00092 0.00097 0.00391 -0.00405 -0.00288 172 3PY -0.00014 -0.00026 0.00067 -0.00061 -0.00123 173 3PZ 0.00100 -0.00148 -0.00232 0.00146 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 -0.00015 -0.00017 -0.00443 0.00205 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 -0.00011 -0.00015 0.00013 200 2S 0.00026 0.00032 0.00063 0.00009 -0.00075 201 2PX -0.00095 0.00077 0.00000 -0.00129 0.00125 202 2PY -0.00052 -0.00011 -0.00016 -0.00055 -0.00056 203 2PZ 0.00027 -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 31 32 33 34 35 31 3 C 1S 2.05392 32 2S -0.07106 0.35893 33 2PX 0.00042 -0.00234 0.35087 34 2PY -0.00316 0.00827 -0.01830 0.42510 35 2PZ 0.00113 -0.00373 0.07308 0.01264 0.35653 36 3S -0.14864 0.25178 -0.00325 0.04107 0.01454 37 3PX 0.00853 -0.00973 0.09900 0.02228 -0.04793 38 3PY -0.06260 0.08420 0.01338 -0.00903 -0.00453 39 3PZ -0.00688 0.00945 -0.04582 -0.01334 0.10197 40 4XX -0.01176 -0.01381 -0.00148 0.01381 -0.00164 41 4YY -0.01515 -0.00380 -0.00053 -0.01736 0.00106 42 4ZZ -0.01176 -0.01366 0.00081 0.01484 0.00237 43 4XY 0.00067 -0.00224 0.00093 0.00289 0.01475 44 4XZ -0.00267 0.00583 -0.00235 0.00756 0.00237 45 4YZ -0.00057 0.00148 0.01464 -0.00070 0.00226 46 4 C 1S 0.01383 -0.02710 -0.03907 -0.03448 -0.04763 47 2S -0.02918 0.05105 0.07865 0.06331 0.09861 48 2PX 0.03983 -0.08443 -0.04559 -0.08539 -0.16023 49 2PY 0.03691 -0.08187 -0.08838 -0.07495 -0.11630 50 2PZ 0.04795 -0.09906 -0.15468 -0.11512 -0.09800 51 3S 0.02212 -0.01059 0.10990 0.11830 0.11355 52 3PX -0.00570 -0.00460 -0.01433 -0.05512 -0.07365 53 3PY 0.01796 -0.02666 -0.05645 0.02136 -0.07147 54 3PZ -0.00328 -0.00868 -0.07120 -0.06944 -0.03648 55 4XX -0.00091 0.00121 -0.00657 0.00113 0.00086 56 4YY 0.00017 -0.00183 -0.00076 -0.00938 -0.00081 57 4ZZ -0.00245 0.00401 0.00278 0.00322 -0.00500 58 4XY -0.00338 0.00659 0.00293 0.00119 0.00755 59 4XZ -0.00322 0.00650 -0.00004 0.00705 0.00253 60 4YZ -0.00422 0.00805 0.00758 0.00099 0.00540 61 5 C 1S -0.00349 0.00919 0.00691 0.01004 0.00813 62 2S 0.00777 -0.01902 -0.01650 -0.02511 -0.02010 63 2PX -0.00387 0.00738 0.02273 0.01216 -0.00248 64 2PY -0.01409 0.03824 0.01791 0.03848 0.03016 65 2PZ -0.00387 0.01120 -0.00295 0.00589 0.01991 66 3S -0.01427 0.00310 -0.01200 -0.08120 0.00089 67 3PX 0.00462 -0.00323 0.00846 0.00896 0.00028 68 3PY -0.00054 0.01200 0.00213 0.04248 -0.00034 69 3PZ 0.00399 -0.00002 0.00434 0.00399 0.00249 70 4XX -0.00040 0.00101 0.00022 -0.00005 0.00083 71 4YY -0.00047 0.00098 0.00147 0.00208 0.00193 72 4ZZ -0.00030 0.00083 0.00081 0.00018 0.00036 73 4XY -0.00145 0.00300 0.00209 0.00330 0.00636 74 4XZ -0.00006 0.00028 0.00015 0.00055 0.00082 75 4YZ -0.00171 0.00347 0.00614 0.00469 0.00378 76 6 C 1S -0.00388 0.00590 0.00034 0.00832 0.00035 77 2S 0.00590 -0.01270 -0.00121 -0.02205 0.00222 78 2PX 0.00034 -0.00121 -0.02262 -0.00186 -0.01578 79 2PY -0.00832 0.02205 0.00186 0.02733 0.00027 80 2PZ 0.00035 0.00222 -0.01578 -0.00027 -0.02586 81 3S 0.01968 -0.02695 0.00129 -0.02665 -0.02064 82 3PX -0.00061 -0.00065 -0.00866 -0.00270 -0.00248 83 3PY -0.01745 0.02245 0.00196 -0.01004 0.00907 84 3PZ 0.00273 -0.00244 -0.00455 0.00303 -0.00810 85 4XX -0.00055 0.00082 0.00006 0.00004 0.00061 86 4YY -0.00043 -0.00026 0.00090 -0.00154 -0.00083 87 4ZZ -0.00058 0.00059 -0.00078 -0.00022 0.00022 88 4XY -0.00002 0.00018 0.00063 -0.00032 0.00268 89 4XZ 0.00016 -0.00003 -0.00021 0.00023 0.00011 90 4YZ -0.00014 -0.00009 0.00258 0.00057 0.00062 91 7 H 1S -0.00715 0.01651 -0.02617 0.01591 -0.01421 92 2S -0.00978 0.02054 -0.04145 0.02334 -0.02512 93 8 H 1S 0.01057 -0.02370 0.03594 -0.01178 0.02695 94 2S 0.01894 -0.03653 0.06586 0.00945 0.05523 95 9 H 1S 0.01118 -0.02464 -0.03222 -0.01466 -0.03619 96 2S 0.02051 -0.03682 -0.06361 0.00996 -0.06801 97 10 H 1S -0.00870 0.01984 0.02050 0.02158 0.02621 98 2S -0.01164 0.02370 0.03374 0.03193 0.04402 99 11 O 1S 0.01198 -0.01352 -0.00588 0.04791 0.00441 100 2S -0.02019 0.02283 0.01440 -0.10931 -0.01152 101 2PX 0.01445 -0.02845 0.19019 0.08793 -0.11282 102 2PY -0.10094 0.21650 0.08667 -0.37721 -0.06847 103 2PZ -0.00994 0.02130 -0.11513 -0.06617 0.18706 104 3S -0.01542 -0.03042 -0.00371 -0.02842 0.00359 105 3PX 0.00794 -0.01422 0.10943 0.04909 -0.08139 106 3PY -0.05778 0.11231 0.04669 -0.19831 -0.03865 107 3PZ -0.00549 0.01107 -0.08265 -0.03830 0.10517 108 4XX 0.00417 -0.00502 -0.00432 0.00412 0.00086 109 4YY -0.00877 0.01901 0.00786 -0.02077 -0.00615 110 4ZZ 0.00428 -0.00521 -0.00084 0.00477 0.00280 111 4XY 0.00201 -0.00380 0.01673 0.00677 -0.00289 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 -0.00277 118 2PZ -0.00017 -0.00162 0.01108 0.00277 -0.00525 119 3S 0.01076 -0.01491 -0.00148 0.01327 -0.00078 120 3PX -0.00074 0.00215 -0.00363 -0.00219 0.01308 121 3PY -0.00103 -0.00191 0.00165 -0.00863 -0.00317 122 3PZ -0.00015 -0.00170 0.01013 0.00196 -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 0.00307 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 -0.01973 0.01101 -0.00047 135 3PX 0.00108 0.00029 0.00327 0.00306 0.00234 136 3PY 0.00115 -0.00412 0.01020 -0.00115 -0.00150 137 3PZ 0.00135 0.00118 -0.00966 0.00389 0.01144 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 -0.00080 143 4YZ 0.00013 -0.00068 0.00046 -0.00054 0.00088 144 14 H 1S -0.00202 0.00337 -0.00309 0.00388 -0.00502 145 2S -0.00129 0.00424 -0.00711 0.00593 0.00249 146 15 H 1S 0.00151 -0.00432 -0.00005 -0.00482 0.00687 147 2S 0.00321 -0.00689 0.00474 -0.00783 0.01284 148 16 C 1S -0.00136 0.00288 -0.00431 0.00208 0.00038 149 2S 0.00374 -0.00716 0.01331 -0.00151 0.00081 150 2PX 0.00681 -0.02261 -0.00001 -0.01916 0.02886 151 2PY -0.00016 0.00132 -0.00716 -0.00124 0.00457 152 2PZ -0.00106 0.00430 0.00635 0.00369 -0.00974 153 3S -0.00551 0.00078 0.01957 -0.02223 -0.02710 154 3PX 0.00452 -0.01466 -0.00836 -0.01686 0.02212 155 3PY -0.00489 0.00249 0.00684 -0.00706 -0.01080 156 3PZ -0.00600 0.01128 -0.01184 0.00023 -0.01488 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 0.00020 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 0.01144 0.00064 -0.00600 164 2S -0.00093 -0.00124 0.00499 0.00274 -0.00140 165 18 C 1S -0.00144 0.00186 -0.00260 0.00071 0.00091 166 2S 0.00057 -0.00311 0.00899 -0.00406 -0.00565 167 2PX 0.00505 -0.02016 0.01801 -0.01263 0.00397 168 2PY -0.00048 0.00201 -0.00264 -0.00032 0.00264 169 2PZ -0.00281 0.00780 -0.01447 0.00577 -0.00470 170 3S 0.01617 -0.01800 0.01133 0.01253 0.01532 171 3PX 0.00430 -0.01439 0.01529 -0.00996 -0.00035 172 3PY 0.00231 -0.00205 -0.00805 0.00196 0.00251 173 3PZ -0.00812 0.01198 -0.00447 -0.00264 -0.01758 174 4XX -0.00101 0.00132 -0.00095 0.00036 0.00053 175 4YY -0.00047 0.00021 0.00059 0.00000 -0.00064 176 4ZZ 0.00002 -0.00051 0.00079 -0.00030 0.00014 177 4XY 0.00009 -0.00018 0.00118 0.00022 -0.00154 178 4XZ 0.00001 0.00031 0.00055 0.00038 -0.00114 179 4YZ 0.00000 0.00000 0.00017 -0.00016 0.00076 180 19 H 1S 0.00048 -0.00239 0.00079 -0.00049 -0.00467 181 2S 0.00108 -0.00237 -0.01013 0.00067 0.00536 182 20 C 1S 0.00044 -0.00078 -0.00151 -0.00140 0.00329 183 2S -0.00118 0.00248 -0.00039 0.00421 -0.00767 184 2PX -0.00336 0.01223 0.00014 0.01194 -0.02321 185 2PY 0.00147 -0.00461 0.00004 -0.00597 0.00955 186 2PZ 0.00165 -0.00575 -0.00476 -0.00572 0.01343 187 3S 0.00165 -0.00238 0.01535 0.00264 -0.00949 188 3PX -0.00215 0.00935 0.00055 0.01215 -0.01860 189 3PY -0.00072 0.00217 -0.00965 0.00503 0.00567 190 3PZ 0.00456 -0.01137 0.00859 -0.01035 0.01409 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 -0.00009 -0.00131 196 4YZ -0.00005 0.00007 0.00009 -0.00003 -0.00017 197 21 H 1S 0.00092 -0.00307 0.00210 -0.00300 0.00290 198 2S 0.00198 -0.00612 0.00549 -0.00822 0.00229 199 22 C 1S 0.00026 0.00003 0.00032 0.00025 0.00028 200 2S 0.00057 -0.00071 -0.00017 0.00070 -0.00099 201 2PX 0.00155 -0.00532 0.02101 0.00100 -0.02517 202 2PY -0.00040 -0.00009 -0.00287 0.00120 0.00180 203 2PZ -0.00026 0.00136 -0.00302 -0.00153 0.00754 204 3S -0.01012 0.01398 -0.01175 -0.00154 -0.00530 205 3PX 0.00148 -0.00494 0.01655 -0.00152 -0.01677 206 3PY 0.00247 -0.00264 -0.00430 0.00286 0.00215 207 3PZ 0.00419 -0.00569 0.00103 -0.00149 0.01206 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 -0.00021 -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 0.00309 0.00171 -0.00368 36 37 38 39 40 36 3S 0.22046 37 3PX -0.01066 0.05210 38 3PY 0.05836 -0.00019 0.03644 39 3PZ 0.01065 -0.03074 0.00021 0.05181 40 4XX -0.00733 0.00230 -0.00509 -0.00083 0.00204 41 4YY -0.00677 -0.00228 0.00275 0.00145 -0.00101 42 4ZZ -0.00691 0.00094 -0.00474 -0.00130 0.00091 43 4XY 0.00141 -0.00605 -0.00024 0.00187 -0.00044 44 4XZ 0.00402 -0.00075 0.00027 0.00118 0.00021 45 4YZ 0.00093 0.00162 0.00093 -0.00586 -0.00038 46 4 C 1S 0.00155 0.00432 -0.00260 0.00269 -0.00054 47 2S 0.02102 -0.00218 0.01619 0.00355 -0.00015 48 2PX -0.07705 0.01981 -0.03062 -0.02938 0.00969 49 2PY -0.06849 -0.01331 0.02401 -0.01285 -0.00174 50 2PZ -0.09856 -0.02027 -0.04406 0.00423 -0.00059 51 3S -0.01676 -0.00169 -0.01181 -0.01879 0.00149 52 3PX -0.00728 0.00873 -0.00089 -0.00977 0.00397 53 3PY -0.01595 -0.00263 0.00197 -0.01178 0.00083 54 3PZ -0.01572 -0.01209 -0.00761 0.00692 -0.00334 55 4XX 0.00127 -0.00188 -0.00112 0.00162 0.00007 56 4YY -0.00233 -0.00061 0.00081 0.00070 -0.00024 57 4ZZ 0.00308 0.00228 0.00013 -0.00214 0.00004 58 4XY 0.00723 -0.00076 0.00247 0.00271 -0.00017 59 4XZ 0.00411 -0.00013 0.00054 0.00049 0.00007 60 4YZ 0.00742 0.00185 0.00285 0.00086 -0.00058 61 5 C 1S 0.00151 0.00261 -0.00908 -0.00006 0.00031 62 2S -0.01517 -0.00756 0.01304 -0.00315 -0.00058 63 2PX 0.04151 0.01562 0.00702 0.01247 0.00548 64 2PY 0.05010 0.01002 -0.02558 0.00626 0.00179 65 2PZ 0.03064 0.01372 0.00148 0.01734 -0.00476 66 3S 0.00301 -0.01677 0.01776 0.00379 -0.00224 67 3PX 0.01007 0.00575 0.00140 0.00747 0.00389 68 3PY 0.01715 0.00019 -0.00892 -0.00830 0.00060 69 3PZ 0.00210 0.01165 -0.00174 0.00375 -0.00300 70 4XX 0.00082 0.00037 -0.00088 0.00037 0.00002 71 4YY 0.00027 0.00005 0.00058 0.00018 0.00003 72 4ZZ 0.00150 0.00048 -0.00062 0.00013 0.00004 73 4XY 0.00427 -0.00019 0.00167 0.00164 -0.00039 74 4XZ 0.00072 0.00029 -0.00009 0.00054 0.00003 75 4YZ 0.00508 0.00123 0.00213 0.00037 0.00003 76 6 C 1S 0.01968 -0.00061 0.01745 0.00273 -0.00055 77 2S -0.02695 -0.00065 -0.02245 -0.00244 0.00082 78 2PX 0.00129 -0.00866 -0.00196 -0.00455 0.00006 79 2PY 0.02665 0.00270 -0.01004 -0.00303 -0.00004 80 2PZ -0.02064 -0.00248 -0.00907 -0.00810 0.00061 81 3S -0.04381 0.00414 -0.02726 -0.01050 0.00111 82 3PX 0.00414 0.00236 0.00176 0.00550 0.00046 83 3PY 0.02726 -0.00176 0.00388 0.00459 -0.00090 84 3PZ -0.01050 0.00550 -0.00459 0.00352 0.00088 85 4XX 0.00111 0.00046 0.00090 0.00088 0.00038 86 4YY -0.00088 -0.00008 0.00105 -0.00032 -0.00026 87 4ZZ 0.00195 -0.00054 0.00055 -0.00002 -0.00026 88 4XY 0.00017 0.00203 0.00034 0.00242 -0.00014 89 4XZ 0.00079 -0.00007 -0.00008 0.00029 0.00012 90 4YZ 0.00182 0.00213 0.00039 0.00213 -0.00005 91 7 H 1S 0.03717 -0.01238 -0.00066 -0.00517 0.00091 92 2S 0.03359 -0.01506 -0.00190 -0.00805 0.00105 93 8 H 1S -0.03546 0.00774 -0.02341 -0.00017 0.00230 94 2S -0.03512 0.00881 -0.02089 -0.00287 0.00103 95 9 H 1S -0.04028 0.00039 -0.03063 -0.00822 0.00413 96 2S -0.04595 0.00196 -0.03041 -0.00900 0.00500 97 10 H 1S 0.04564 0.01161 0.00411 0.01357 -0.00006 98 2S 0.04649 0.01256 0.00530 0.01612 -0.00039 99 11 O 1S 0.03099 -0.00006 -0.00118 0.00036 0.00509 100 2S -0.07942 -0.00284 0.02826 0.00024 -0.01121 101 2PX -0.04191 0.13951 -0.00957 -0.04628 0.01353 102 2PY 0.15585 0.01121 0.06283 -0.01372 -0.01759 103 2PZ 0.01338 -0.04687 0.00230 0.13649 0.00004 104 3S -0.13613 -0.00641 0.02986 0.00447 -0.00940 105 3PX -0.02574 0.08945 -0.00683 -0.02801 0.00908 106 3PY 0.08293 0.00708 0.03556 -0.00798 -0.00908 107 3PZ 0.00579 -0.02802 0.00151 0.08695 0.00043 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 -0.00349 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 0.00040 0.00842 -0.00018 114 12 O 1S -0.00314 -0.00030 -0.00209 -0.00068 0.00011 115 2S 0.00508 0.00102 -0.00112 0.00025 -0.00031 116 2PX 0.00511 0.02022 0.00960 0.02681 -0.00055 117 2PY 0.00053 -0.00202 0.01968 0.00399 0.00035 118 2PZ 0.00701 0.02100 -0.00374 0.02330 0.00017 119 3S -0.00883 0.00035 0.00963 0.00138 0.00016 120 3PX 0.00386 0.01471 0.00585 0.01910 -0.00045 121 3PY 0.00400 -0.00089 0.00833 0.00150 0.00018 122 3PZ 0.00701 0.01461 -0.00103 0.01669 -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 0.00034 -0.00299 0.00119 0.00060 130 2S 0.01126 -0.00092 0.00447 -0.00560 -0.00134 131 2PX 0.00944 0.00365 0.00951 -0.00961 -0.00191 132 2PY -0.00537 0.00410 -0.00439 0.00894 0.00052 133 2PZ -0.01567 0.00577 -0.01060 0.00488 0.00015 134 3S 0.01218 -0.01278 0.00667 -0.00033 -0.00270 135 3PX 0.00063 0.00057 0.00629 -0.00307 -0.00058 136 3PY -0.00565 0.00635 -0.00402 0.00229 0.00076 137 3PZ -0.00655 -0.00405 -0.00372 0.00709 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 0.01481 -0.00504 0.01014 -0.00493 -0.00105 145 2S 0.01037 -0.00615 0.00917 0.00029 -0.00065 146 15 H 1S -0.00680 -0.00152 -0.00856 0.00455 0.00171 147 2S -0.01254 0.00032 -0.00979 0.00444 0.00337 148 16 C 1S 0.00674 -0.00416 -0.00115 0.00040 -0.00087 149 2S -0.01191 0.01172 -0.00821 -0.00203 0.00106 150 2PX -0.00049 -0.00407 -0.02700 0.00709 0.00745 151 2PY 0.00377 -0.00956 -0.00357 -0.00692 -0.00002 152 2PZ -0.01265 0.00329 -0.00012 0.00333 -0.00283 153 3S -0.00611 0.02019 -0.00773 -0.00772 0.00093 154 3PX 0.00241 -0.00865 -0.01541 0.00639 0.00439 155 3PY 0.00130 0.00146 -0.00093 -0.00806 -0.00056 156 3PZ -0.00286 -0.00266 0.00687 0.00152 -0.00317 157 4XX 0.00100 -0.00146 -0.00043 0.00094 0.00028 158 4YY 0.00012 0.00107 0.00055 -0.00042 -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 0.00123 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 0.00208 0.00122 -0.00034 164 2S -0.00409 0.00233 0.00432 0.00095 -0.00178 165 18 C 1S 0.00559 -0.00231 0.00034 0.00157 -0.00044 166 2S -0.00772 0.00404 -0.00210 -0.00273 -0.00012 167 2PX 0.01536 0.00010 -0.02409 -0.00829 0.00075 168 2PY -0.00410 -0.00316 0.00574 0.00007 -0.00001 169 2PZ 0.01048 -0.00310 0.01436 -0.00039 0.00045 170 3S -0.00791 0.00152 -0.00783 -0.00162 0.00274 171 3PX 0.00832 0.00171 -0.01633 -0.00653 -0.00036 172 3PY 0.00051 -0.00383 0.00022 0.00035 0.00042 173 3PZ 0.00184 0.00275 0.00988 -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 0.00744 0.00081 -0.00060 -0.00382 0.00036 181 2S 0.00910 -0.00500 -0.00064 0.00098 0.00006 182 20 C 1S -0.00331 -0.00017 -0.00103 0.00150 0.00055 183 2S 0.00737 0.00013 0.00454 -0.00123 -0.00108 184 2PX 0.00071 0.00367 0.00101 -0.01201 -0.00053 185 2PY -0.00438 -0.00481 -0.00080 0.00116 0.00033 186 2PZ 0.01389 -0.00874 0.00149 0.00149 0.00095 187 3S 0.00593 0.00859 0.00173 -0.00331 -0.00076 188 3PX -0.00116 0.00306 0.00134 -0.00777 -0.00047 189 3PY -0.00064 -0.00528 0.00141 0.00334 -0.00030 190 3PZ 0.00180 -0.00206 -0.00196 0.00037 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 -0.00028 196 4YZ 0.00004 0.00022 -0.00002 -0.00003 -0.00001 197 21 H 1S -0.00232 -0.00173 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 -0.00099 0.00841 -0.01536 -0.01440 -0.00348 202 2PY 0.01005 -0.00148 -0.00192 0.00094 0.00021 203 2PZ -0.01319 0.00252 0.00207 0.00671 0.00128 204 3S 0.00439 -0.00363 0.01006 0.00329 -0.00112 205 3PX -0.00077 0.00590 -0.00956 -0.01019 -0.00312 206 3PY 0.00562 -0.00265 -0.00179 -0.00049 0.00103 207 3PZ -0.00559 0.00009 0.00041 0.00389 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 0.00022 -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 0.00067 -0.00006 215 2S -0.00313 0.00357 -0.00160 0.00062 -0.00085 41 42 43 44 45 41 4YY 0.00224 42 4ZZ -0.00086 0.00197 43 4XY 0.00009 0.00059 0.00342 44 4XZ -0.00057 0.00027 0.00027 0.00061 45 4YZ -0.00005 0.00032 0.00139 -0.00036 0.00360 46 4 C 1S 0.00071 -0.00291 -0.00546 -0.00354 -0.00572 47 2S -0.00207 0.00428 0.01075 0.00629 0.01114 48 2PX 0.00088 -0.00516 -0.00358 0.00151 -0.01286 49 2PY 0.01239 -0.00676 -0.00571 -0.00607 -0.00486 50 2PZ 0.00138 0.00672 -0.01437 -0.00171 -0.00670 51 3S -0.00442 0.01154 0.02258 0.00535 0.02525 52 3PX 0.00101 -0.00619 -0.00123 0.00107 -0.00786 53 3PY 0.00173 -0.00027 -0.00038 -0.00157 -0.00003 54 3PZ 0.00098 0.00217 -0.00823 -0.00119 -0.00215 55 4XX -0.00019 0.00004 -0.00016 0.00003 -0.00032 56 4YY 0.00057 -0.00041 -0.00025 -0.00021 -0.00023 57 4ZZ -0.00034 0.00001 -0.00026 0.00008 -0.00006 58 4XY 0.00011 -0.00057 0.00067 0.00007 -0.00011 59 4XZ -0.00046 0.00022 0.00016 0.00045 0.00011 60 4YZ -0.00001 -0.00014 -0.00025 -0.00016 0.00054 61 5 C 1S -0.00177 0.00090 0.00013 0.00044 -0.00020 62 2S 0.00373 -0.00197 -0.00035 -0.00101 0.00046 63 2PX -0.00018 -0.00611 0.00667 0.00198 -0.00590 64 2PY -0.00904 0.00313 -0.00130 0.00134 -0.00186 65 2PZ -0.00136 0.00608 -0.00671 -0.00160 0.00373 66 3S 0.00431 -0.00542 -0.00595 -0.00194 -0.00601 67 3PX 0.00071 -0.00407 0.00492 0.00146 -0.00406 68 3PY -0.00334 0.00278 0.00371 0.00062 0.00491 69 3PZ -0.00025 0.00408 -0.00559 -0.00126 0.00251 70 4XX -0.00024 0.00009 -0.00013 0.00001 0.00001 71 4YY 0.00007 0.00006 0.00019 0.00013 0.00025 72 4ZZ -0.00022 0.00002 0.00002 0.00003 -0.00014 73 4XY -0.00004 0.00023 0.00010 -0.00009 0.00053 74 4XZ -0.00014 0.00003 -0.00004 0.00002 -0.00003 75 4YZ -0.00006 -0.00025 0.00062 0.00006 0.00021 76 6 C 1S -0.00043 -0.00058 0.00002 0.00016 0.00014 77 2S -0.00026 0.00059 -0.00018 -0.00003 0.00009 78 2PX 0.00090 -0.00078 -0.00063 -0.00021 -0.00258 79 2PY 0.00154 0.00022 -0.00032 -0.00023 0.00057 80 2PZ -0.00083 0.00022 -0.00268 0.00011 -0.00062 81 3S -0.00088 0.00195 -0.00017 0.00079 -0.00182 82 3PX -0.00008 -0.00054 -0.00203 -0.00007 -0.00213 83 3PY -0.00105 -0.00055 0.00034 0.00008 0.00039 84 3PZ -0.00032 -0.00002 -0.00242 0.00029 -0.00213 85 4XX -0.00026 -0.00026 0.00014 0.00012 0.00005 86 4YY 0.00060 -0.00023 0.00001 -0.00013 -0.00006 87 4ZZ -0.00023 0.00029 -0.00024 -0.00006 0.00009 88 4XY -0.00001 0.00024 -0.00037 -0.00008 0.00039 89 4XZ -0.00013 -0.00006 0.00008 0.00002 -0.00005 90 4YZ 0.00006 -0.00009 0.00039 0.00005 -0.00036 91 7 H 1S -0.00236 0.00004 -0.00068 -0.00013 0.00003 92 2S -0.00299 0.00016 -0.00217 0.00003 -0.00115 93 8 H 1S -0.00360 0.00647 0.00324 0.00507 -0.00014 94 2S -0.00277 0.00711 0.00740 0.00292 0.00560 95 9 H 1S -0.00416 0.00485 -0.00140 0.00429 -0.00181 96 2S -0.00355 0.00362 -0.00601 0.00271 -0.00710 97 10 H 1S -0.00227 0.00058 0.00075 0.00019 0.00039 98 2S -0.00284 0.00120 0.00266 0.00051 0.00176 99 11 O 1S -0.01296 0.00527 0.00272 0.00171 -0.00167 100 2S 0.02386 -0.01174 -0.00556 -0.00378 0.00334 101 2PX -0.00842 -0.00051 -0.04056 -0.00219 -0.01191 102 2PY 0.00551 -0.01942 -0.00818 -0.00442 0.00427 103 2PZ 0.00502 -0.00804 -0.01231 0.00464 -0.04301 104 3S 0.02828 -0.00949 -0.00452 -0.00377 0.00282 105 3PX -0.00563 -0.00100 -0.02889 -0.00156 -0.00907 106 3PY 0.00257 -0.01015 -0.00480 -0.00254 0.00229 107 3PZ 0.00333 -0.00537 -0.00940 0.00321 -0.03055 108 4XX -0.00048 0.00047 0.00048 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 -0.00158 -0.00014 -0.00005 112 4XZ -0.00029 0.00017 -0.00011 0.00002 0.00022 113 4YZ 0.00030 -0.00040 -0.00007 0.00025 -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 -0.00024 0.00320 121 3PY -0.00163 -0.00034 0.00081 0.00052 -0.00085 122 3PZ 0.00086 -0.00102 0.00288 0.00011 -0.00179 123 4XX -0.00005 -0.00006 0.00005 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 0.00005 -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 -0.00213 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 -0.00005 0.00028 139 4YY 0.00004 0.00008 0.00005 0.00000 -0.00012 140 4ZZ -0.00001 0.00010 0.00002 0.00005 -0.00015 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 0.00011 0.00017 0.00015 0.00011 -0.00071 145 2S -0.00032 0.00048 0.00034 0.00066 -0.00077 146 15 H 1S -0.00056 -0.00096 -0.00079 -0.00021 0.00127 147 2S -0.00096 -0.00171 -0.00141 -0.00031 0.00297 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 0.00590 151 2PY -0.00021 0.00031 -0.00016 0.00013 0.00065 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 -0.00174 0.00413 155 3PY 0.00053 -0.00028 0.00035 -0.00042 0.00134 156 3PZ 0.00151 0.00070 0.00208 0.00074 -0.00222 157 4XX -0.00015 -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 0.00031 -0.00043 -0.00049 164 2S 0.00151 0.00060 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 0.00117 172 3PY -0.00007 -0.00023 -0.00077 -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 -0.00051 0.00007 181 2S 0.00016 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 0.00009 -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 -0.00147 -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 0.00132 0.00224 0.00275 -0.00052 -0.00383 202 2PY -0.00029 -0.00015 -0.00023 -0.00008 0.00029 203 2PZ -0.00070 -0.00119 -0.00045 0.00029 0.00113 204 3S -0.00002 0.00012 0.00111 0.00096 -0.00040 205 3PX 0.00120 0.00213 0.00174 -0.00039 -0.00278 206 3PY -0.00041 -0.00051 -0.00075 -0.00030 0.00037 207 3PZ -0.00030 -0.00122 -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 -0.00037 215 2S -0.00016 0.00054 0.00076 0.00020 -0.00034 46 47 48 49 50 46 4 C 1S 2.05475 47 2S -0.06604 0.33271 48 2PX -0.00082 -0.00026 0.36087 49 2PY 0.00119 -0.00064 -0.00457 0.44126 50 2PZ -0.00081 -0.00124 0.05352 -0.00257 0.37298 51 3S -0.19825 0.31901 -0.04176 -0.08119 -0.03700 52 3PX 0.00560 -0.00115 0.19088 0.01352 -0.02198 53 3PY 0.00084 -0.00937 0.01064 0.12001 0.00623 54 3PZ 0.00403 0.00281 -0.02382 0.01053 0.18496 55 4XX -0.01487 -0.00867 -0.00093 -0.00815 0.00333 56 4YY -0.01819 -0.00058 0.00110 0.01162 0.00177 57 4ZZ -0.01597 -0.00658 0.00278 -0.01030 -0.00188 58 4XY 0.00144 -0.00268 -0.00222 0.00080 -0.01553 59 4XZ -0.00466 0.00944 0.00126 -0.01042 0.00193 60 4YZ 0.00151 -0.00291 -0.01563 0.00097 -0.00584 61 5 C 1S 0.01874 -0.03878 0.00146 -0.08564 0.00020 62 2S -0.03878 0.06964 -0.00049 0.17214 0.00090 63 2PX 0.00146 -0.00049 0.18195 0.00097 -0.13309 64 2PY 0.08564 -0.17214 -0.00097 -0.32373 -0.00235 65 2PZ 0.00020 0.00090 -0.13309 0.00235 0.14644 66 3S 0.02187 -0.01350 -0.01566 0.13313 -0.00215 67 3PX -0.00569 0.00624 0.11870 0.01180 -0.09375 68 3PY 0.00297 -0.01903 -0.01408 -0.09358 -0.01074 69 3PZ -0.00574 0.00391 -0.09191 0.01303 0.09555 70 4XX 0.00255 -0.00590 -0.00103 -0.00953 0.00151 71 4YY -0.00590 0.01036 -0.00027 0.00540 -0.00014 72 4ZZ 0.00277 -0.00634 0.00180 -0.01005 -0.00113 73 4XY 0.00005 0.00006 -0.01375 0.00124 -0.00080 74 4XZ 0.00086 -0.00198 -0.00037 -0.00297 0.00007 75 4YZ 0.00005 0.00011 -0.00051 0.00122 -0.01400 76 6 C 1S -0.00349 0.00777 -0.00387 0.01409 -0.00387 77 2S 0.00919 -0.01902 0.00738 -0.03824 0.01120 78 2PX 0.00691 -0.01650 0.02273 -0.01791 -0.00295 79 2PY -0.01004 0.02511 -0.01216 0.03848 -0.00589 80 2PZ 0.00813 -0.02010 -0.00248 -0.03016 0.01991 81 3S 0.00151 -0.01517 0.04151 -0.05010 0.03065 82 3PX 0.00261 -0.00756 0.01562 -0.01002 0.01372 83 3PY 0.00908 -0.01304 -0.00702 -0.02558 -0.00148 84 3PZ -0.00006 -0.00315 0.01247 -0.00626 0.01734 85 4XX 0.00031 -0.00058 0.00548 -0.00179 -0.00476 86 4YY -0.00177 0.00373 -0.00018 0.00904 -0.00136 87 4ZZ 0.00090 -0.00197 -0.00611 -0.00313 0.00608 88 4XY -0.00013 0.00035 -0.00667 -0.00130 0.00671 89 4XZ 0.00044 -0.00101 0.00198 -0.00134 -0.00160 90 4YZ 0.00020 -0.00046 0.00590 -0.00186 -0.00373 91 7 H 1S 0.00033 -0.00082 -0.00506 0.00627 0.00554 92 2S 0.00450 -0.00951 -0.00817 0.00166 0.01751 93 8 H 1S -0.00676 0.01538 -0.01995 -0.01010 -0.01908 94 2S -0.01404 0.02920 -0.05170 -0.02782 -0.04028 95 9 H 1S -0.06122 0.11759 0.15365 -0.14357 0.16807 96 2S -0.01072 0.02286 0.13455 -0.10702 0.14548 97 10 H 1S 0.01309 -0.02723 -0.01014 -0.04203 -0.01582 98 2S 0.01513 -0.02764 -0.02585 -0.07080 -0.03369 99 11 O 1S -0.00262 0.00603 -0.00090 -0.01097 -0.00321 100 2S 0.00744 -0.01598 0.00510 0.02452 0.01173 101 2PX 0.02042 -0.04346 0.01826 0.04718 0.04702 102 2PY 0.01439 -0.02500 0.02276 0.04178 0.03470 103 2PZ 0.02563 -0.04847 0.05102 0.06667 0.02836 104 3S 0.00088 -0.00180 -0.01481 0.06115 -0.00701 105 3PX 0.01696 -0.03698 0.01217 0.03989 0.04785 106 3PY 0.00678 -0.01174 0.00657 0.03510 0.01890 107 3PZ 0.02023 -0.03975 0.04765 0.05680 0.02097 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 -0.00333 0.01128 0.00081 116 2PX -0.00596 0.01177 -0.05741 0.01523 0.05198 117 2PY 0.00753 -0.01929 0.02071 -0.03204 -0.01184 118 2PZ -0.00948 0.01688 0.04710 0.03726 -0.03596 119 3S -0.00880 0.01871 -0.01045 0.04452 -0.00898 120 3PX -0.00455 0.00990 -0.04750 0.01235 0.03791 121 3PY 0.00579 -0.01473 0.01836 -0.02821 -0.00613 122 3PZ -0.00690 0.01331 0.03361 0.03051 -0.03141 123 4XX 0.00024 -0.00076 0.00152 -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 -0.00038 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 -0.00900 -0.00022 0.00799 132 2PY 0.00007 -0.00034 0.00132 -0.00046 -0.00057 133 2PZ -0.00084 0.00053 -0.00213 -0.00200 -0.00302 134 3S 0.00105 -0.00032 -0.00249 -0.00122 0.00198 135 3PX -0.00052 0.00317 -0.00808 -0.00309 0.00070 136 3PY 0.00007 -0.00023 0.00196 -0.00047 -0.00160 137 3PZ -0.00081 0.00310 -0.00515 -0.00282 -0.00593 138 4XX -0.00001 -0.00003 0.00149 -0.00002 -0.00167 139 4YY 0.00002 -0.00013 -0.00074 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 0.00058 -0.00039 -0.00332 0.00101 0.00593 145 2S 0.00016 0.00167 -0.00812 -0.00072 0.00504 146 15 H 1S -0.00036 -0.00030 0.00894 -0.00028 -0.00935 147 2S -0.00119 0.00240 0.01236 -0.00178 -0.01748 148 16 C 1S -0.00002 0.00075 -0.00164 -0.00059 -0.00001 149 2S 0.00021 -0.00014 -0.00115 -0.00040 0.00004 150 2PX 0.00035 -0.00333 0.01461 0.00008 -0.01274 151 2PY -0.00018 0.00000 -0.00208 -0.00064 0.00083 152 2PZ -0.00051 0.00313 -0.00162 -0.00039 0.00065 153 3S 0.00065 -0.00889 0.02336 0.01189 0.00350 154 3PX -0.00133 -0.00074 0.01831 0.00051 -0.01686 155 3PY -0.00160 0.00016 0.00700 -0.00052 -0.00324 156 3PZ 0.00020 0.00052 0.00237 0.00339 0.00702 157 4XX 0.00017 -0.00021 -0.00003 -0.00005 0.00009 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 0.00081 164 2S -0.00250 0.00459 -0.00039 -0.00597 -0.00843 165 18 C 1S -0.00067 0.00082 -0.00128 -0.00017 0.00110 166 2S 0.00024 -0.00194 0.00917 0.00086 -0.00684 167 2PX 0.00072 -0.01020 0.00236 -0.00183 -0.00119 168 2PY -0.00011 -0.00013 0.00073 -0.00249 0.00009 169 2PZ 0.00114 -0.00179 0.00499 0.00284 -0.00085 170 3S 0.00443 -0.00119 -0.01186 -0.00402 -0.00272 171 3PX 0.00233 -0.00798 -0.00608 -0.00166 0.00724 172 3PY 0.00122 -0.00080 -0.00306 0.00114 0.00787 173 3PZ 0.00011 -0.00124 0.01298 0.00514 -0.00561 174 4XX -0.00070 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 0.00124 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 -0.00018 -0.00024 -0.00011 180 19 H 1S 0.00075 -0.00345 0.00536 0.00208 -0.00256 181 2S 0.00050 -0.00161 -0.00392 -0.00049 0.00879 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 0.02579 0.00252 -0.01983 185 2PY -0.00033 0.00089 -0.00341 -0.00023 0.00265 186 2PZ -0.00011 0.00114 -0.00908 0.00018 0.00671 187 3S -0.00087 -0.00100 0.01157 0.00777 -0.00459 188 3PX 0.00059 -0.00090 0.02935 0.00286 -0.02289 189 3PY -0.00097 0.00397 -0.01021 -0.00153 0.00089 190 3PZ -0.00144 0.00243 -0.00619 0.00025 0.00400 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 0.00035 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 0.00048 -0.00156 0.00020 0.00079 200 2S 0.00045 -0.00070 0.00810 0.00038 -0.00594 201 2PX 0.00191 -0.01008 0.01235 -0.00054 -0.00387 202 2PY -0.00029 0.00138 -0.00181 0.00175 0.00045 203 2PZ -0.00070 0.00233 0.00343 -0.00091 -0.00553 204 3S -0.00052 -0.00040 -0.00409 -0.00411 0.00249 205 3PX 0.00110 -0.00698 0.00021 -0.00168 0.00629 206 3PY 0.00142 -0.00125 0.00360 0.00053 -0.00178 207 3PZ -0.00140 0.00303 0.00622 0.00126 -0.00715 208 4XX -0.00016 0.00027 -0.00139 0.00025 0.00083 209 4YY -0.00004 -0.00003 0.00084 0.00006 -0.00073 210 4ZZ 0.00002 -0.00006 0.00139 0.00022 -0.00129 211 4XY 0.00010 0.00025 0.00040 -0.00007 -0.00020 212 4XZ -0.00002 0.00005 -0.00070 -0.00008 0.00051 213 4YZ -0.00007 0.00003 0.00017 -0.00008 -0.00035 214 23 H 1S 0.00005 -0.00036 0.00599 -0.00008 -0.00539 215 2S -0.00007 -0.00003 -0.00293 -0.00144 0.00081 51 52 53 54 55 51 3S 0.46608 52 3PX -0.04111 0.11495 53 3PY 0.00958 0.00531 0.06208 54 3PZ -0.02634 -0.03309 0.00289 0.10581 55 4XX -0.00581 -0.00110 -0.00136 0.00140 0.00068 56 4YY -0.00444 0.00129 0.00140 0.00141 -0.00011 57 4ZZ -0.00348 0.00134 -0.00184 -0.00144 0.00043 58 4XY -0.00312 0.00157 -0.00016 -0.00725 0.00000 59 4XZ 0.00939 0.00028 -0.00238 0.00081 0.00005 60 4YZ -0.00300 -0.00725 -0.00046 -0.00010 -0.00001 61 5 C 1S 0.02187 -0.00569 -0.00297 -0.00574 0.00255 62 2S -0.01350 0.00624 0.01903 0.00391 -0.00590 63 2PX -0.01566 0.11870 0.01408 -0.09191 -0.00103 64 2PY -0.13313 -0.01180 -0.09358 -0.01303 0.00953 65 2PZ -0.00215 -0.09376 0.01074 0.09555 0.00151 66 3S -0.17236 0.00666 -0.03916 0.00735 -0.00369 67 3PX 0.00666 0.07766 0.01419 -0.06542 -0.00093 68 3PY 0.03916 -0.01419 -0.00714 -0.00933 0.00228 69 3PZ 0.00735 -0.06542 0.00933 0.06235 0.00048 70 4XX -0.00369 -0.00093 -0.00228 0.00048 0.00036 71 4YY 0.01092 0.00003 0.00234 0.00023 -0.00030 72 4ZZ -0.00489 0.00072 -0.00272 -0.00084 0.00031 73 4XY -0.00009 -0.00750 -0.00031 0.00179 0.00001 74 4XZ -0.00383 -0.00027 -0.00173 -0.00008 0.00006 75 4YZ -0.00048 0.00176 -0.00014 -0.00726 -0.00016 76 6 C 1S -0.01427 0.00462 0.00054 0.00399 -0.00040 77 2S 0.00310 -0.00323 -0.01200 -0.00002 0.00101 78 2PX -0.01200 0.00846 -0.00213 0.00434 0.00022 79 2PY 0.08120 -0.00896 0.04248 -0.00399 0.00005 80 2PZ 0.00089 0.00028 0.00034 0.00249 0.00083 81 3S 0.00301 0.01007 -0.01715 0.00210 0.00082 82 3PX -0.01677 0.00575 -0.00019 0.01165 0.00037 83 3PY -0.01776 -0.00140 -0.00892 0.00174 0.00088 84 3PZ 0.00379 0.00747 0.00830 0.00375 0.00037 85 4XX -0.00224 0.00389 -0.00060 -0.00300 0.00002 86 4YY 0.00431 0.00071 0.00334 -0.00025 -0.00024 87 4ZZ -0.00542 -0.00407 -0.00278 0.00408 0.00009 88 4XY 0.00595 -0.00492 0.00371 0.00559 0.00013 89 4XZ -0.00194 0.00146 -0.00062 -0.00126 0.00001 90 4YZ 0.00601 0.00406 0.00491 -0.00251 -0.00001 91 7 H 1S 0.00037 0.00046 0.00814 0.00626 0.00034 92 2S -0.02523 -0.00330 -0.00102 0.01185 0.00078 93 8 H 1S 0.03772 -0.01763 -0.01968 -0.01550 -0.00140 94 2S 0.07895 -0.03637 -0.01793 -0.02487 -0.00151 95 9 H 1S 0.11315 0.05492 -0.03375 0.06143 0.00092 96 2S 0.00684 0.04811 -0.02188 0.05033 0.00254 97 10 H 1S -0.04855 -0.00515 -0.01711 -0.00821 0.00094 98 2S -0.02074 -0.01250 -0.01629 -0.01495 0.00157 99 11 O 1S 0.00274 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 -0.01583 0.02899 -0.00331 102 2PY -0.12480 0.05297 -0.02888 0.06596 -0.00264 103 2PZ -0.26096 0.05729 -0.03933 0.01887 0.00201 104 3S 0.00600 -0.02351 0.00967 -0.02267 -0.00011 105 3PX -0.13208 0.00273 -0.00908 0.02915 -0.00181 106 3PY -0.06921 0.02643 -0.01229 0.03741 -0.00173 107 3PZ -0.18860 0.04555 -0.02177 0.01191 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 0.00030 -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 0.00004 -0.00003 -0.00003 113 4YZ -0.00843 0.00077 -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 0.06642 -0.04264 0.05363 0.05684 -0.00005 117 2PY -0.08437 0.02367 -0.03729 -0.00630 -0.00017 118 2PZ 0.12316 0.03777 0.09300 -0.02509 -0.00141 119 3S 0.00706 0.00404 0.01249 0.00442 -0.00125 120 3PX 0.05162 -0.03407 0.03876 0.04072 0.00000 121 3PY -0.04880 0.01655 -0.02336 -0.00442 0.00016 122 3PZ 0.08589 0.02749 0.06544 -0.01998 -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 0.00000 -0.00027 0.00051 0.00003 126 4XY -0.00144 0.00149 -0.00161 -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 -0.00342 -0.00234 0.00072 0.00437 -0.00015 131 2PX -0.00416 -0.00639 -0.00030 0.00778 -0.00052 132 2PY 0.00073 0.00292 0.00449 -0.00163 -0.00023 133 2PZ 0.00654 -0.00408 0.00043 -0.00312 -0.00011 134 3S -0.00075 -0.00166 0.00004 0.00022 -0.00002 135 3PX 0.00176 -0.00422 -0.00259 0.00216 -0.00027 136 3PY -0.00005 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 -0.00046 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 -0.00536 -0.00032 -0.00056 0.00525 -0.00004 145 2S -0.00462 -0.00194 -0.00153 0.00460 0.00003 146 15 H 1S 0.00565 0.00518 -0.00019 -0.00793 0.00034 147 2S 0.01003 0.00830 -0.00214 -0.01296 0.00040 148 16 C 1S -0.00126 0.00014 -0.00074 0.00039 0.00019 149 2S 0.00498 -0.00278 0.00307 -0.00075 -0.00021 150 2PX 0.01845 0.00937 0.00304 -0.01127 0.00100 151 2PY 0.00672 -0.00314 -0.00503 -0.00057 0.00036 152 2PZ 0.00009 0.00096 0.00206 -0.00210 -0.00037 153 3S -0.00706 0.01196 0.01151 0.00135 -0.00051 154 3PX 0.01882 0.01219 0.00465 -0.01293 0.00066 155 3PY 0.01220 0.00233 0.00267 -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 0.00067 -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 -0.00314 -0.00049 0.00400 0.00161 -0.00043 164 2S 0.01500 -0.00085 0.00447 -0.00467 -0.00032 165 18 C 1S 0.00018 -0.00130 0.00083 0.00068 -0.00044 166 2S 0.00323 0.00500 0.00108 -0.00537 0.00008 167 2PX 0.01652 -0.00603 0.00330 -0.00142 0.00030 168 2PY -0.00015 0.00068 -0.00213 -0.00067 0.00012 169 2PZ -0.01373 0.00401 -0.00246 0.00287 0.00021 170 3S 0.00624 -0.00825 -0.00463 -0.00218 0.00045 171 3PX 0.01181 -0.00948 0.00339 0.00421 0.00013 172 3PY -0.00131 -0.00274 0.00005 0.00445 0.00023 173 3PZ -0.00688 0.00938 0.00276 -0.00240 -0.00015 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 -0.00209 0.00178 0.00007 -0.00013 0.00017 181 2S -0.00421 -0.00429 -0.00222 0.00683 0.00036 182 20 C 1S 0.00184 -0.00031 0.00025 -0.00040 0.00015 183 2S -0.00719 -0.00094 -0.00096 0.00295 -0.00022 184 2PX -0.00660 0.01374 -0.00220 -0.01486 0.00010 185 2PY 0.00170 -0.00235 -0.00328 0.00137 0.00022 186 2PZ -0.00137 -0.00384 -0.00367 0.00709 0.00037 187 3S -0.00993 0.00471 0.00073 -0.00076 -0.00056 188 3PX -0.01119 0.01763 -0.00316 -0.01769 -0.00018 189 3PY 0.01058 -0.00530 0.00233 0.00072 0.00012 190 3PZ 0.00461 -0.00332 -0.00330 0.00351 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 -0.00116 -0.00338 -0.00217 0.00291 -0.00003 198 2S -0.00793 0.00215 -0.00715 -0.00104 0.00002 199 22 C 1S 0.00058 -0.00166 0.00047 0.00050 -0.00004 200 2S -0.00393 0.00674 -0.00165 -0.00322 0.00005 201 2PX 0.00213 -0.00130 0.00125 -0.00644 -0.00040 202 2PY -0.00203 0.00011 0.00017 0.00153 -0.00012 203 2PZ 0.00528 0.00457 0.00277 -0.00474 -0.00005 204 3S -0.00499 0.00073 -0.00023 0.00305 0.00020 205 3PX -0.00007 -0.00692 -0.00096 0.00193 -0.00031 206 3PY -0.00200 0.00269 -0.00022 -0.00093 0.00017 207 3PZ 0.00180 0.00522 -0.00115 -0.00461 0.00001 208 4XX 0.00044 -0.00087 0.00014 0.00056 0.00000 209 4YY 0.00036 0.00048 0.00008 -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 0.00006 0.00028 -0.00040 -0.00002 214 23 H 1S 0.00099 0.00435 0.00127 -0.00427 -0.00017 215 2S 0.00361 -0.00163 0.00254 -0.00051 -0.00022 56 57 58 59 60 56 4YY 0.00077 57 4ZZ -0.00020 0.00072 58 4XY 0.00002 0.00002 0.00111 59 4XZ -0.00033 0.00015 -0.00018 0.00067 60 4YZ 0.00003 0.00002 0.00054 -0.00020 0.00126 61 5 C 1S -0.00590 0.00277 -0.00005 0.00086 -0.00005 62 2S 0.01036 -0.00634 -0.00006 -0.00198 -0.00011 63 2PX -0.00027 0.00180 0.01375 -0.00037 0.00051 64 2PY -0.00540 0.01005 0.00124 0.00297 0.00122 65 2PZ -0.00014 -0.00113 0.00080 0.00007 0.01400 66 3S 0.01092 -0.00489 0.00009 -0.00383 0.00048 67 3PX 0.00003 0.00072 0.00750 -0.00027 -0.00176 68 3PY -0.00234 0.00272 -0.00031 0.00173 -0.00014 69 3PZ 0.00023 -0.00084 -0.00179 -0.00008 0.00726 70 4XX -0.00030 0.00031 -0.00001 0.00006 0.00016 71 4YY 0.00006 -0.00027 -0.00003 0.00017 0.00000 72 4ZZ -0.00027 0.00039 0.00014 0.00005 -0.00004 73 4XY 0.00003 -0.00014 0.00039 -0.00008 0.00095 74 4XZ 0.00017 0.00005 0.00008 0.00003 0.00010 75 4YZ 0.00000 0.00004 0.00095 -0.00010 0.00058 76 6 C 1S -0.00047 -0.00030 0.00145 -0.00006 0.00171 77 2S 0.00098 0.00083 -0.00300 0.00028 -0.00347 78 2PX 0.00147 0.00081 -0.00209 0.00015 -0.00614 79 2PY -0.00208 -0.00018 0.00330 -0.00055 0.00469 80 2PZ 0.00193 0.00036 -0.00636 0.00082 -0.00378 81 3S 0.00027 0.00150 -0.00427 0.00072 -0.00508 82 3PX 0.00005 0.00048 0.00019 0.00029 -0.00123 83 3PY -0.00058 0.00062 0.00167 0.00009 0.00213 84 3PZ 0.00018 0.00013 -0.00164 0.00054 -0.00037 85 4XX 0.00003 0.00004 0.00039 0.00003 -0.00003 86 4YY 0.00007 -0.00022 0.00004 -0.00014 0.00006 87 4ZZ 0.00006 0.00002 -0.00023 0.00003 0.00025 88 4XY -0.00019 -0.00002 0.00010 0.00004 0.00062 89 4XZ 0.00013 0.00003 0.00009 0.00002 -0.00006 90 4YZ -0.00025 0.00014 0.00053 0.00003 0.00021 91 7 H 1S -0.00001 0.00006 -0.00063 0.00015 -0.00074 92 2S 0.00004 0.00027 -0.00212 0.00046 -0.00182 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 -0.00280 0.00172 -0.00925 0.00829 -0.01053 96 2S -0.00257 0.00276 -0.00826 0.00527 -0.00943 97 10 H 1S 0.00165 0.00106 0.00675 0.00002 0.00725 98 2S -0.00100 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 0.00022 -0.00058 0.00081 101 2PX 0.00154 0.00339 -0.00635 -0.00099 0.00575 102 2PY 0.00785 0.00027 0.00163 -0.00364 0.00616 103 2PZ 0.00609 -0.00474 0.00598 -0.00110 -0.00164 104 3S 0.00165 -0.00071 -0.00010 -0.00031 -0.00025 105 3PX 0.00143 0.00204 -0.00472 -0.00084 0.00376 106 3PY 0.00448 -0.00020 0.00061 -0.00218 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 -0.00011 -0.00004 -0.00007 0.00000 -0.00009 111 4XY -0.00004 0.00022 -0.00023 -0.00003 0.00038 112 4XZ -0.00008 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 -0.00076 -0.00044 -0.00045 120 3PX 0.00020 -0.00093 0.00054 0.00005 0.00290 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 0.00002 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 0.00006 0.00031 -0.00020 0.00023 0.00013 145 2S 0.00027 0.00021 -0.00015 0.00038 0.00019 146 15 H 1S -0.00005 -0.00056 0.00035 -0.00030 -0.00022 147 2S 0.00014 -0.00073 0.00052 -0.00034 -0.00030 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 0.00039 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 -0.00015 -0.00030 -0.00005 0.00018 0.00012 166 2S -0.00001 0.00025 0.00024 -0.00038 -0.00024 167 2PX -0.00133 -0.00069 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 0.00023 172 3PY -0.00007 -0.00025 -0.00026 0.00007 -0.00008 173 3PZ 0.00023 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 -0.00001 0.00026 -0.00046 -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 0.00011 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 61 62 63 64 65 61 5 C 1S 2.05475 62 2S -0.06604 0.33271 63 2PX -0.00082 -0.00026 0.36087 64 2PY -0.00119 0.00064 0.00457 0.44126 65 2PZ -0.00081 -0.00124 0.05352 0.00257 0.37298 66 3S -0.19825 0.31901 -0.04176 0.08119 -0.03700 67 3PX 0.00560 -0.00115 0.19088 -0.01352 -0.02198 68 3PY -0.00084 0.00937 -0.01064 0.12001 -0.00623 69 3PZ 0.00403 0.00281 -0.02382 -0.01053 0.18496 70 4XX -0.01487 -0.00867 -0.00093 0.00815 0.00333 71 4YY -0.01819 -0.00058 0.00110 -0.01162 0.00177 72 4ZZ -0.01597 -0.00658 0.00278 0.01030 -0.00188 73 4XY -0.00144 0.00268 0.00222 0.00080 0.01553 74 4XZ -0.00466 0.00944 0.00126 0.01042 0.00193 75 4YZ -0.00151 0.00291 0.01563 0.00097 0.00584 76 6 C 1S 0.01383 -0.02918 0.03983 -0.03691 0.04795 77 2S -0.02710 0.05105 -0.08443 0.08187 -0.09905 78 2PX -0.03907 0.07865 -0.04559 0.08838 -0.15469 79 2PY 0.03448 -0.06331 0.08539 -0.07495 0.11512 80 2PZ -0.04763 0.09861 -0.16023 0.11630 -0.09800 81 3S 0.00155 0.02102 -0.07705 0.06849 -0.09856 82 3PX 0.00432 -0.00218 0.01981 0.01331 -0.02027 83 3PY 0.00260 -0.01619 0.03062 0.02401 0.04406 84 3PZ 0.00269 0.00355 -0.02938 0.01285 0.00423 85 4XX -0.00054 -0.00015 0.00969 0.00174 -0.00059 86 4YY 0.00071 -0.00207 0.00088 -0.01239 0.00138 87 4ZZ -0.00291 0.00428 -0.00516 0.00676 0.00672 88 4XY 0.00546 -0.01075 0.00358 -0.00571 0.01437 89 4XZ -0.00354 0.00629 0.00151 0.00607 -0.00171 90 4YZ 0.00572 -0.01114 0.01286 -0.00486 0.00670 91 7 H 1S -0.00676 0.01538 -0.01995 0.01010 -0.01908 92 2S -0.01404 0.02920 -0.05170 0.02782 -0.04028 93 8 H 1S 0.00033 -0.00082 -0.00506 -0.00627 0.00554 94 2S 0.00450 -0.00951 -0.00817 -0.00166 0.01751 95 9 H 1S 0.01309 -0.02723 -0.01014 0.04203 -0.01582 96 2S 0.01513 -0.02764 -0.02585 0.07080 -0.03369 97 10 H 1S -0.06122 0.11759 0.15365 0.14357 0.16807 98 2S -0.01072 0.02286 0.13455 0.10703 0.14548 99 11 O 1S 0.00124 -0.00301 0.00159 0.00565 0.00041 100 2S -0.00252 0.00586 -0.00333 -0.01128 0.00081 101 2PX -0.00596 0.01177 -0.05741 -0.01523 0.05198 102 2PY -0.00753 0.01929 -0.02071 -0.03204 0.01184 103 2PZ -0.00948 0.01688 0.04710 -0.03726 -0.03596 104 3S -0.00880 0.01871 -0.01045 -0.04452 -0.00898 105 3PX -0.00455 0.00990 -0.04750 -0.01235 0.03791 106 3PY -0.00579 0.01473 -0.01836 -0.02821 0.00613 107 3PZ -0.00690 0.01331 0.03361 -0.03051 -0.03141 108 4XX 0.00024 -0.00076 0.00152 0.00150 -0.00056 109 4YY 0.00020 -0.00018 -0.00079 0.00100 0.00123 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 -0.00090 0.01097 -0.00321 115 2S 0.00744 -0.01598 0.00511 -0.02452 0.01173 116 2PX 0.02042 -0.04347 0.01826 -0.04718 0.04702 117 2PY -0.01439 0.02500 -0.02276 0.04178 -0.03470 118 2PZ 0.02563 -0.04847 0.05102 -0.06667 0.02836 119 3S 0.00088 -0.00180 -0.01481 -0.06115 -0.00701 120 3PX 0.01696 -0.03698 0.01217 -0.03989 0.04785 121 3PY -0.00678 0.01174 -0.00657 0.03509 -0.01890 122 3PZ 0.02023 -0.03975 0.04765 -0.05680 0.02097 123 4XX 0.00023 -0.00050 0.00172 0.00140 0.00107 124 4YY 0.00065 -0.00117 0.00079 0.00143 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 -0.00900 0.00022 0.00799 132 2PY -0.00007 0.00034 -0.00132 -0.00046 0.00057 133 2PZ -0.00084 0.00053 -0.00213 0.00200 -0.00302 134 3S 0.00105 -0.00032 -0.00249 0.00122 0.00198 135 3PX -0.00052 0.00317 -0.00808 0.00309 0.00070 136 3PY -0.00007 0.00023 -0.00196 -0.00047 0.00160 137 3PZ -0.00081 0.00310 -0.00515 0.00282 -0.00593 138 4XX -0.00001 -0.00003 0.00149 0.00002 -0.00167 139 4YY 0.00002 -0.00013 -0.00074 -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 0.00058 -0.00039 -0.00332 -0.00101 0.00593 145 2S 0.00016 0.00167 -0.00812 0.00072 0.00504 146 15 H 1S -0.00036 -0.00030 0.00894 0.00028 -0.00935 147 2S -0.00119 0.00240 0.01236 0.00178 -0.01748 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 0.02579 -0.00252 -0.01983 151 2PY 0.00033 -0.00089 0.00341 -0.00023 -0.00265 152 2PZ -0.00011 0.00114 -0.00908 -0.00018 0.00671 153 3S -0.00087 -0.00100 0.01157 -0.00777 -0.00459 154 3PX 0.00059 -0.00090 0.02935 -0.00286 -0.02289 155 3PY 0.00097 -0.00397 0.01021 -0.00153 -0.00089 156 3PZ -0.00144 0.00243 -0.00619 -0.00025 0.00400 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 0.00048 -0.00156 -0.00020 0.00079 166 2S 0.00045 -0.00070 0.00810 -0.00038 -0.00594 167 2PX 0.00191 -0.01008 0.01235 0.00054 -0.00387 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 -0.00409 0.00411 0.00249 171 3PX 0.00110 -0.00698 0.00021 0.00168 0.00629 172 3PY -0.00142 0.00125 -0.00360 0.00053 0.00178 173 3PZ -0.00140 0.00303 0.00622 -0.00126 -0.00715 174 4XX -0.00016 0.00027 -0.00139 -0.00025 0.00083 175 4YY -0.00004 -0.00003 0.00084 -0.00006 -0.00073 176 4ZZ 0.00002 -0.00006 0.00139 -0.00022 -0.00129 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 0.00599 0.00008 -0.00538 181 2S -0.00007 -0.00003 -0.00293 0.00144 0.00081 182 20 C 1S -0.00002 0.00075 -0.00164 0.00059 -0.00001 183 2S 0.00021 -0.00014 -0.00115 0.00040 0.00004 184 2PX 0.00035 -0.00333 0.01461 -0.00008 -0.01274 185 2PY 0.00018 0.00000 0.00208 -0.00064 -0.00083 186 2PZ -0.00051 0.00313 -0.00162 0.00039 0.00065 187 3S 0.00065 -0.00889 0.02336 -0.01189 0.00350 188 3PX -0.00133 -0.00074 0.01831 -0.00051 -0.01686 189 3PY 0.00160 -0.00016 -0.00700 -0.00052 0.00324 190 3PZ 0.00019 0.00052 0.00237 -0.00339 0.00702 191 4XX 0.00017 -0.00021 -0.00003 0.00005 0.00009 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 0.00081 198 2S -0.00250 0.00460 -0.00039 0.00597 -0.00843 199 22 C 1S -0.00067 0.00082 -0.00128 0.00017 0.00110 200 2S 0.00024 -0.00194 0.00917 -0.00086 -0.00684 201 2PX 0.00072 -0.01020 0.00236 0.00183 -0.00119 202 2PY 0.00011 0.00013 -0.00073 -0.00249 -0.00009 203 2PZ 0.00114 -0.00179 0.00499 -0.00284 -0.00085 204 3S 0.00443 -0.00119 -0.01186 0.00402 -0.00272 205 3PX 0.00233 -0.00798 -0.00608 0.00166 0.00724 206 3PY -0.00122 0.00080 0.00306 0.00114 -0.00787 207 3PZ 0.00011 -0.00124 0.01298 -0.00514 -0.00561 208 4XX -0.00070 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 0.00124 -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 0.00018 -0.00024 0.00011 214 23 H 1S 0.00075 -0.00345 0.00536 -0.00208 -0.00256 215 2S 0.00050 -0.00161 -0.00392 0.00049 0.00879 66 67 68 69 70 66 3S 0.46608 67 3PX -0.04111 0.11495 68 3PY -0.00958 -0.00531 0.06208 69 3PZ -0.02634 -0.03309 -0.00289 0.10581 70 4XX -0.00581 -0.00110 0.00136 0.00140 0.00068 71 4YY -0.00444 0.00129 -0.00140 0.00141 -0.00011 72 4ZZ -0.00348 0.00134 0.00184 -0.00144 0.00043 73 4XY 0.00312 -0.00157 -0.00016 0.00725 0.00000 74 4XZ 0.00939 0.00028 0.00238 0.00081 0.00005 75 4YZ 0.00300 0.00725 -0.00046 0.00010 0.00001 76 6 C 1S 0.02212 -0.00570 -0.01796 -0.00328 -0.00091 77 2S -0.01059 -0.00460 0.02666 -0.00868 0.00121 78 2PX 0.10990 -0.01433 0.05645 -0.07120 -0.00657 79 2PY -0.11830 0.05512 0.02136 0.06944 -0.00113 80 2PZ 0.11355 -0.07365 0.07147 -0.03648 0.00087 81 3S -0.01676 -0.00728 0.01595 -0.01572 0.00127 82 3PX -0.00169 0.00873 0.00263 -0.01209 -0.00188 83 3PY 0.01181 0.00089 0.00197 0.00761 0.00112 84 3PZ -0.01879 -0.00977 0.01178 0.00692 0.00162 85 4XX 0.00149 0.00397 -0.00083 -0.00334 0.00007 86 4YY -0.00442 0.00101 -0.00173 0.00098 -0.00019 87 4ZZ 0.01154 -0.00619 0.00027 0.00217 0.00004 88 4XY -0.02258 0.00123 -0.00038 0.00823 0.00016 89 4XZ 0.00535 0.00107 0.00157 -0.00119 0.00003 90 4YZ -0.02525 0.00786 -0.00003 0.00215 0.00032 91 7 H 1S 0.03772 -0.01763 0.01968 -0.01550 -0.00140 92 2S 0.07895 -0.03637 0.01793 -0.02487 -0.00151 93 8 H 1S 0.00037 0.00046 -0.00814 0.00626 0.00034 94 2S -0.02523 -0.00330 0.00102 0.01186 0.00078 95 9 H 1S -0.04855 -0.00515 0.01711 -0.00821 0.00094 96 2S -0.02074 -0.01250 0.01629 -0.01495 0.00157 97 10 H 1S 0.11315 0.05492 0.03375 0.06143 0.00092 98 2S 0.00684 0.04811 0.02188 0.05033 0.00254 99 11 O 1S -0.00147 -0.00227 0.00255 -0.00345 0.00013 100 2S 0.01265 0.00259 -0.00827 0.00673 -0.00011 101 2PX 0.06642 -0.04264 -0.05363 0.05684 -0.00005 102 2PY 0.08437 -0.02367 -0.03729 0.00630 0.00017 103 2PZ 0.12316 0.03777 -0.09300 -0.02509 -0.00141 104 3S 0.00706 0.00404 -0.01249 0.00442 -0.00125 105 3PX 0.05162 -0.03407 -0.03876 0.04072 0.00000 106 3PY 0.04880 -0.01655 -0.02336 0.00442 -0.00016 107 3PZ 0.08589 0.02749 -0.06544 -0.01998 -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 0.00000 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 0.00274 0.00563 0.00053 0.00520 -0.00017 115 2S -0.01889 -0.00598 0.00586 -0.00411 0.00037 116 2PX -0.17238 0.00432 0.01584 0.02899 -0.00331 117 2PY 0.12480 -0.05297 -0.02888 -0.06596 0.00264 118 2PZ -0.26096 0.05729 0.03933 0.01887 0.00201 119 3S 0.00600 -0.02351 -0.00967 -0.02267 -0.00011 120 3PX -0.13208 0.00273 0.00908 0.02915 -0.00181 121 3PY 0.06921 -0.02643 -0.01230 -0.03741 0.00173 122 3PZ -0.18860 0.04555 0.02177 0.01191 0.00118 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 0.00030 -0.00068 0.00028 0.00021 0.00006 126 4XY 0.00287 0.00079 -0.00169 0.00129 0.00029 127 4XZ 0.00127 0.00005 -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 -0.00072 0.00437 -0.00015 131 2PX -0.00416 -0.00639 0.00030 0.00778 -0.00052 132 2PY -0.00073 -0.00292 0.00449 0.00163 0.00023 133 2PZ 0.00654 -0.00408 -0.00043 -0.00312 -0.00011 134 3S -0.00076 -0.00166 -0.00004 0.00022 -0.00002 135 3PX 0.00176 -0.00422 0.00259 0.00216 -0.00027 136 3PY 0.00005 -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 -0.00046 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 -0.00536 -0.00032 0.00056 0.00525 -0.00004 145 2S -0.00462 -0.00194 0.00153 0.00460 0.00003 146 15 H 1S 0.00565 0.00518 0.00019 -0.00793 0.00034 147 2S 0.01003 0.00830 0.00214 -0.01296 0.00040 148 16 C 1S 0.00184 -0.00031 -0.00025 -0.00040 0.00015 149 2S -0.00719 -0.00094 0.00096 0.00295 -0.00022 150 2PX -0.00660 0.01374 0.00220 -0.01486 0.00010 151 2PY -0.00170 0.00235 -0.00328 -0.00137 -0.00022 152 2PZ -0.00137 -0.00384 0.00367 0.00709 0.00037 153 3S -0.00993 0.00471 -0.00073 -0.00076 -0.00056 154 3PX -0.01119 0.01763 0.00316 -0.01769 -0.00018 155 3PY -0.01058 0.00530 0.00233 -0.00072 -0.00012 156 3PZ 0.00461 -0.00332 0.00330 0.00351 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 -0.00008 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 -0.00116 -0.00338 0.00217 0.00291 -0.00003 164 2S -0.00793 0.00215 0.00715 -0.00104 0.00002 165 18 C 1S 0.00058 -0.00166 -0.00047 0.00050 -0.00004 166 2S -0.00393 0.00674 0.00165 -0.00322 0.00005 167 2PX 0.00213 -0.00130 -0.00125 -0.00644 -0.00040 168 2PY 0.00203 -0.00011 0.00017 -0.00153 0.00012 169 2PZ 0.00528 0.00457 -0.00277 -0.00474 -0.00005 170 3S -0.00499 0.00073 0.00023 0.00305 0.00020 171 3PX -0.00007 -0.00692 0.00096 0.00193 -0.00031 172 3PY 0.00200 -0.00269 -0.00022 0.00093 -0.00017 173 3PZ 0.00180 0.00522 0.00115 -0.00461 0.00001 174 4XX 0.00044 -0.00087 -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 -0.00003 0.00045 -0.00002 179 4YZ -0.00078 -0.00006 0.00028 0.00040 0.00002 180 19 H 1S 0.00099 0.00435 -0.00127 -0.00427 -0.00017 181 2S 0.00361 -0.00163 -0.00254 -0.00051 -0.00022 182 20 C 1S -0.00126 0.00014 0.00074 0.00039 0.00019 183 2S 0.00498 -0.00278 -0.00307 -0.00075 -0.00021 184 2PX 0.01845 0.00937 -0.00304 -0.01127 0.00100 185 2PY -0.00672 0.00314 -0.00503 0.00057 -0.00036 186 2PZ 0.00009 0.00096 -0.00206 -0.00210 -0.00037 187 3S -0.00706 0.01196 -0.01151 0.00135 -0.00051 188 3PX 0.01882 0.01219 -0.00465 -0.01293 0.00066 189 3PY -0.01220 -0.00233 0.00267 0.00219 0.00005 190 3PZ -0.00543 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 0.00067 -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 -0.00314 -0.00049 -0.00400 0.00161 -0.00043 198 2S 0.01501 -0.00085 -0.00447 -0.00467 -0.00032 199 22 C 1S 0.00018 -0.00130 -0.00083 0.00068 -0.00044 200 2S 0.00323 0.00500 -0.00108 -0.00537 0.00008 201 2PX 0.01651 -0.00603 -0.00330 -0.00142 0.00030 202 2PY 0.00015 -0.00068 -0.00213 0.00067 -0.00012 203 2PZ -0.01373 0.00401 0.00246 0.00287 0.00021 204 3S 0.00624 -0.00825 0.00463 -0.00218 0.00045 205 3PX 0.01181 -0.00948 -0.00339 0.00421 0.00013 206 3PY 0.00131 0.00274 0.00005 -0.00445 -0.00023 207 3PZ -0.00688 0.00938 -0.00276 -0.00240 -0.00015 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 -0.00209 0.00178 -0.00007 -0.00013 0.00017 215 2S -0.00421 -0.00429 0.00222 0.00683 0.00036 71 72 73 74 75 71 4YY 0.00077 72 4ZZ -0.00020 0.00072 73 4XY -0.00002 -0.00002 0.00111 74 4XZ -0.00033 0.00015 0.00018 0.00067 75 4YZ -0.00003 -0.00002 0.00054 0.00020 0.00126 76 6 C 1S 0.00017 -0.00245 0.00338 -0.00322 0.00422 77 2S -0.00183 0.00401 -0.00659 0.00650 -0.00805 78 2PX -0.00076 0.00278 -0.00293 -0.00004 -0.00758 79 2PY 0.00938 -0.00322 0.00119 -0.00705 0.00099 80 2PZ -0.00081 -0.00500 -0.00755 0.00253 -0.00540 81 3S -0.00233 0.00308 -0.00723 0.00411 -0.00742 82 3PX -0.00061 0.00228 0.00076 -0.00013 -0.00185 83 3PY -0.00081 -0.00013 0.00247 -0.00054 0.00285 84 3PZ 0.00070 -0.00214 -0.00271 0.00049 -0.00086 85 4XX -0.00024 0.00004 0.00017 0.00007 0.00058 86 4YY 0.00057 -0.00034 -0.00011 -0.00046 0.00001 87 4ZZ -0.00041 0.00001 0.00057 0.00022 0.00014 88 4XY 0.00025 0.00026 0.00067 -0.00016 -0.00025 89 4XZ -0.00021 0.00008 -0.00007 0.00045 0.00016 90 4YZ 0.00023 0.00006 -0.00011 -0.00011 0.00054 91 7 H 1S 0.00085 -0.00086 -0.00076 -0.00119 -0.00131 92 2S -0.00036 -0.00080 -0.00123 -0.00077 -0.00249 93 8 H 1S -0.00001 0.00006 0.00063 0.00015 0.00074 94 2S 0.00004 0.00027 0.00212 0.00046 0.00182 95 9 H 1S 0.00165 0.00106 -0.00675 0.00002 -0.00725 96 2S -0.00100 0.00187 -0.00672 0.00048 -0.00709 97 10 H 1S -0.00280 0.00172 0.00925 0.00829 0.01053 98 2S -0.00257 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 -0.00085 -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 -0.00054 0.00005 -0.00290 106 3PY -0.00029 -0.00049 -0.00039 -0.00040 -0.00122 107 3PZ -0.00007 -0.00058 -0.00263 -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 0.00154 0.00339 0.00635 -0.00099 -0.00575 117 2PY -0.00785 -0.00027 0.00163 0.00364 0.00616 118 2PZ 0.00609 -0.00474 -0.00598 -0.00110 0.00164 119 3S 0.00165 -0.00071 0.00010 -0.00031 0.00025 120 3PX 0.00143 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 -0.00002 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 0.00006 0.00031 0.00020 0.00023 -0.00013 145 2S 0.00027 0.00021 0.00015 0.00038 -0.00019 146 15 H 1S -0.00005 -0.00056 -0.00035 -0.00030 0.00022 147 2S 0.00014 -0.00073 -0.00052 -0.00034 0.00030 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 0.00002 -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 -0.00040 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 0.00039 -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 -0.00015 -0.00030 0.00005 0.00018 -0.00012 200 2S -0.00001 0.00025 -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 -0.00006 -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 -0.00023 206 3PY 0.00007 0.00025 -0.00026 -0.00007 -0.00008 207 3PZ 0.00023 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 -0.00001 -0.00026 -0.00046 0.00036 215 2S -0.00027 -0.00027 0.00003 -0.00016 0.00032 76 77 78 79 80 76 6 C 1S 2.05392 77 2S -0.07106 0.35893 78 2PX 0.00042 -0.00234 0.35087 79 2PY 0.00316 -0.00827 0.01830 0.42510 80 2PZ 0.00113 -0.00373 0.07308 -0.01264 0.35653 81 3S -0.14864 0.25178 -0.00325 -0.04107 0.01454 82 3PX 0.00852 -0.00973 0.09900 -0.02228 -0.04793 83 3PY 0.06260 -0.08420 -0.01338 -0.00903 0.00452 84 3PZ -0.00688 0.00945 -0.04582 0.01334 0.10197 85 4XX -0.01176 -0.01381 -0.00148 -0.01381 -0.00164 86 4YY -0.01515 -0.00380 -0.00053 0.01736 0.00106 87 4ZZ -0.01176 -0.01366 0.00081 -0.01484 0.00237 88 4XY -0.00067 0.00224 -0.00093 0.00289 -0.01475 89 4XZ -0.00267 0.00583 -0.00235 -0.00756 0.00237 90 4YZ 0.00057 -0.00148 -0.01464 -0.00070 -0.00226 91 7 H 1S 0.01057 -0.02370 0.03594 0.01178 0.02695 92 2S 0.01894 -0.03653 0.06586 -0.00945 0.05523 93 8 H 1S -0.00715 0.01651 -0.02617 -0.01591 -0.01421 94 2S -0.00978 0.02054 -0.04145 -0.02334 -0.02512 95 9 H 1S -0.00870 0.01984 0.02050 -0.02158 0.02621 96 2S -0.01164 0.02370 0.03374 -0.03193 0.04402 97 10 H 1S 0.01118 -0.02464 -0.03222 0.01466 -0.03619 98 2S 0.02051 -0.03682 -0.06361 -0.00997 -0.06801 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 -0.00162 0.01108 -0.00277 -0.00525 104 3S 0.01076 -0.01491 -0.00148 -0.01327 -0.00078 105 3PX -0.00074 0.00215 -0.00363 0.00219 0.01308 106 3PY 0.00103 0.00191 -0.00165 -0.00863 0.00317 107 3PZ -0.00015 -0.00170 0.01013 -0.00196 -0.00158 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 0.00061 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 -0.00588 -0.04791 0.00441 115 2S -0.02019 0.02283 0.01440 0.10931 -0.01152 116 2PX 0.01445 -0.02845 0.19019 -0.08792 -0.11282 117 2PY 0.10094 -0.21650 -0.08666 -0.37721 0.06847 118 2PZ -0.00994 0.02130 -0.11513 0.06616 0.18706 119 3S -0.01542 -0.03042 -0.00371 0.02842 0.00359 120 3PX 0.00794 -0.01422 0.10943 -0.04908 -0.08139 121 3PY 0.05778 -0.11231 -0.04669 -0.19831 0.03865 122 3PZ -0.00549 0.01107 -0.08265 0.03830 0.10517 123 4XX 0.00417 -0.00502 -0.00432 -0.00412 0.00086 124 4YY -0.00877 0.01901 0.00786 0.02077 -0.00615 125 4ZZ 0.00428 -0.00521 -0.00084 -0.00477 0.00280 126 4XY -0.00201 0.00380 -0.01673 0.00677 0.00289 127 4XZ 0.00018 -0.00046 0.00202 -0.00184 -0.00265 128 4YZ 0.00135 -0.00243 0.00293 -0.00488 -0.01710 129 13 C 1S 0.00064 -0.00136 0.00061 0.00150 0.00307 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 -0.01973 -0.01101 -0.00047 135 3PX 0.00108 0.00029 0.00327 -0.00306 0.00234 136 3PY -0.00115 0.00412 -0.01020 -0.00115 0.00150 137 3PZ 0.00135 0.00118 -0.00966 -0.00389 0.01144 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 -0.00080 143 4YZ -0.00013 0.00068 -0.00046 -0.00054 -0.00088 144 14 H 1S -0.00202 0.00337 -0.00309 -0.00388 -0.00502 145 2S -0.00129 0.00424 -0.00711 -0.00593 0.00249 146 15 H 1S 0.00151 -0.00432 -0.00005 0.00482 0.00687 147 2S 0.00321 -0.00689 0.00474 0.00783 0.01284 148 16 C 1S 0.00044 -0.00078 -0.00151 0.00140 0.00329 149 2S -0.00118 0.00248 -0.00039 -0.00421 -0.00767 150 2PX -0.00336 0.01223 0.00014 -0.01194 -0.02321 151 2PY -0.00147 0.00461 -0.00003 -0.00597 -0.00955 152 2PZ 0.00165 -0.00575 -0.00476 0.00572 0.01343 153 3S 0.00165 -0.00238 0.01535 -0.00264 -0.00949 154 3PX -0.00215 0.00935 0.00055 -0.01215 -0.01860 155 3PY 0.00072 -0.00217 0.00965 0.00503 -0.00567 156 3PZ 0.00456 -0.01137 0.00859 0.01035 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 -0.00612 0.00549 0.00822 0.00229 165 18 C 1S 0.00026 0.00003 0.00032 -0.00025 0.00028 166 2S 0.00057 -0.00071 -0.00017 -0.00070 -0.00099 167 2PX 0.00155 -0.00532 0.02101 -0.00100 -0.02517 168 2PY 0.00040 0.00009 0.00287 0.00120 -0.00180 169 2PZ -0.00026 0.00136 -0.00302 0.00153 0.00754 170 3S -0.01012 0.01398 -0.01175 0.00154 -0.00530 171 3PX 0.00148 -0.00494 0.01655 0.00152 -0.01677 172 3PY -0.00247 0.00264 0.00430 0.00286 -0.00215 173 3PZ 0.00419 -0.00569 0.00103 0.00149 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 0.00309 -0.00171 -0.00368 182 20 C 1S -0.00136 0.00288 -0.00431 -0.00208 0.00038 183 2S 0.00374 -0.00716 0.01331 0.00151 0.00081 184 2PX 0.00681 -0.02261 -0.00001 0.01916 0.02886 185 2PY 0.00016 -0.00132 0.00716 -0.00124 -0.00457 186 2PZ -0.00106 0.00430 0.00635 -0.00369 -0.00974 187 3S -0.00551 0.00078 0.01957 0.02223 -0.02710 188 3PX 0.00452 -0.01466 -0.00836 0.01686 0.02212 189 3PY 0.00489 -0.00249 -0.00684 -0.00706 0.01080 190 3PZ -0.00600 0.01128 -0.01184 -0.00023 -0.01488 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 -0.00014 -0.00001 0.00016 197 21 H 1S 0.00070 -0.00179 0.01144 -0.00064 -0.00600 198 2S -0.00093 -0.00124 0.00499 -0.00274 -0.00140 199 22 C 1S -0.00144 0.00186 -0.00260 -0.00071 0.00091 200 2S 0.00057 -0.00311 0.00899 0.00406 -0.00565 201 2PX 0.00505 -0.02016 0.01801 0.01263 0.00397 202 2PY 0.00048 -0.00201 0.00264 -0.00032 -0.00264 203 2PZ -0.00281 0.00780 -0.01447 -0.00577 -0.00470 204 3S 0.01617 -0.01800 0.01133 -0.01253 0.01532 205 3PX 0.00430 -0.01439 0.01529 0.00996 -0.00035 206 3PY -0.00231 0.00205 0.00805 0.00196 -0.00251 207 3PZ -0.00812 0.01198 -0.00447 0.00264 -0.01758 208 4XX -0.00101 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 0.00079 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 -0.00076 214 23 H 1S 0.00048 -0.00239 0.00079 0.00049 -0.00467 215 2S 0.00108 -0.00237 -0.01013 -0.00067 0.00536 81 82 83 84 85 81 3S 0.22046 82 3PX -0.01066 0.05210 83 3PY -0.05837 0.00019 0.03644 84 3PZ 0.01065 -0.03074 -0.00021 0.05181 85 4XX -0.00733 0.00230 0.00509 -0.00083 0.00204 86 4YY -0.00677 -0.00228 -0.00275 0.00145 -0.00101 87 4ZZ -0.00691 0.00094 0.00474 -0.00130 0.00091 88 4XY -0.00141 0.00606 -0.00024 -0.00187 0.00044 89 4XZ 0.00402 -0.00075 -0.00027 0.00117 0.00021 90 4YZ -0.00093 -0.00162 0.00093 0.00586 0.00038 91 7 H 1S -0.03546 0.00774 0.02341 -0.00017 0.00230 92 2S -0.03512 0.00881 0.02089 -0.00287 0.00103 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 0.04564 0.01161 -0.00411 0.01357 -0.00006 96 2S 0.04649 0.01256 -0.00530 0.01612 -0.00039 97 10 H 1S -0.04028 0.00039 0.03063 -0.00822 0.00413 98 2S -0.04595 0.00196 0.03041 -0.00900 0.00500 99 11 O 1S -0.00314 -0.00030 0.00209 -0.00068 0.00011 100 2S 0.00508 0.00102 0.00112 0.00025 -0.00031 101 2PX 0.00511 0.02022 -0.00960 0.02681 -0.00055 102 2PY -0.00053 0.00202 0.01968 -0.00399 -0.00035 103 2PZ 0.00701 0.02100 0.00374 0.02330 0.00017 104 3S -0.00883 0.00035 -0.00963 0.00138 0.00016 105 3PX 0.00386 0.01471 -0.00585 0.01910 -0.00045 106 3PY -0.00400 0.00089 0.00833 -0.00150 -0.00018 107 3PZ 0.00701 0.01461 0.00103 0.01669 -0.00001 108 4XX 0.00061 -0.00008 -0.00014 -0.00022 -0.00001 109 4YY 0.00021 0.00007 0.00181 -0.00021 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 -0.00284 -0.02826 0.00024 -0.01121 116 2PX -0.04191 0.13951 0.00957 -0.04628 0.01353 117 2PY -0.15585 -0.01121 0.06283 0.01371 0.01759 118 2PZ 0.01338 -0.04687 -0.00230 0.13649 0.00004 119 3S -0.13614 -0.00641 -0.02986 0.00447 -0.00940 120 3PX -0.02574 0.08945 0.00683 -0.02801 0.00908 121 3PY -0.08293 -0.00708 0.03556 0.00798 0.00908 122 3PZ 0.00579 -0.02802 -0.00151 0.08695 0.00043 123 4XX -0.00142 -0.00144 0.00253 0.00040 0.00045 124 4YY 0.01497 0.00208 -0.00434 -0.00201 -0.00105 125 4ZZ -0.00172 0.00002 0.00255 0.00092 0.00048 126 4XY 0.00349 -0.00853 -0.00078 0.00347 -0.00072 127 4XZ 0.00004 0.00139 0.00044 -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 -0.00447 -0.00560 -0.00134 131 2PX 0.00944 0.00365 -0.00951 -0.00961 -0.00191 132 2PY 0.00537 -0.00410 -0.00439 -0.00894 -0.00052 133 2PZ -0.01567 0.00577 0.01060 0.00488 0.00015 134 3S 0.01218 -0.01278 -0.00667 -0.00033 -0.00270 135 3PX 0.00063 0.00057 -0.00629 -0.00307 -0.00058 136 3PY 0.00565 -0.00635 -0.00402 -0.00229 -0.00076 137 3PZ -0.00655 -0.00405 0.00372 0.00709 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 0.01481 -0.00504 -0.01014 -0.00493 -0.00105 145 2S 0.01037 -0.00615 -0.00917 0.00029 -0.00065 146 15 H 1S -0.00680 -0.00152 0.00856 0.00455 0.00171 147 2S -0.01254 0.00032 0.00979 0.00444 0.00337 148 16 C 1S -0.00331 -0.00017 0.00103 0.00150 0.00055 149 2S 0.00737 0.00013 -0.00454 -0.00123 -0.00108 150 2PX 0.00071 0.00367 -0.00101 -0.01201 -0.00053 151 2PY 0.00437 0.00481 -0.00080 -0.00116 -0.00033 152 2PZ 0.01389 -0.00874 -0.00149 0.00149 0.00095 153 3S 0.00593 0.00859 -0.00173 -0.00331 -0.00076 154 3PX -0.00116 0.00306 -0.00134 -0.00777 -0.00047 155 3PY 0.00064 0.00528 0.00141 -0.00334 0.00030 156 3PZ 0.00180 -0.00206 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 -0.00054 0.00017 -0.00052 164 2S -0.00414 -0.00245 0.00149 -0.00295 -0.00005 165 18 C 1S -0.00184 0.00147 0.00387 0.00010 0.00006 166 2S 0.00456 -0.00215 -0.00563 -0.00100 0.00027 167 2PX -0.00099 0.00841 0.01536 -0.01440 -0.00348 168 2PY -0.01005 0.00148 -0.00192 -0.00094 -0.00021 169 2PZ -0.01319 0.00252 -0.00207 0.00671 0.00128 170 3S 0.00439 -0.00363 -0.01006 0.00329 -0.00112 171 3PX -0.00077 0.00590 0.00956 -0.01019 -0.00312 172 3PY -0.00562 0.00265 -0.00179 0.00049 -0.00103 173 3PZ -0.00560 0.00009 -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 0.00070 0.00067 -0.00006 181 2S -0.00313 0.00357 0.00160 0.00062 -0.00085 182 20 C 1S 0.00674 -0.00416 0.00115 0.00040 -0.00087 183 2S -0.01191 0.01172 0.00821 -0.00203 0.00106 184 2PX -0.00049 -0.00407 0.02700 0.00709 0.00745 185 2PY -0.00377 0.00956 -0.00357 0.00692 0.00002 186 2PZ -0.01265 0.00329 0.00012 0.00333 -0.00283 187 3S -0.00611 0.02019 0.00773 -0.00772 0.00093 188 3PX 0.00241 -0.00865 0.01541 0.00639 0.00439 189 3PY -0.00130 -0.00146 -0.00093 0.00806 0.00056 190 3PZ -0.00286 -0.00266 -0.00687 0.00152 -0.00317 191 4XX 0.00100 -0.00146 0.00043 0.00094 0.00028 192 4YY 0.00012 0.00107 -0.00055 -0.00042 -0.00016 193 4ZZ -0.00041 -0.00014 -0.00036 -0.00017 -0.00002 194 4XY 0.00064 -0.00043 -0.00030 -0.00005 -0.00009 195 4XZ 0.00123 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 0.00122 -0.00034 198 2S -0.00409 0.00233 -0.00432 0.00095 -0.00178 199 22 C 1S 0.00559 -0.00231 -0.00034 0.00157 -0.00044 200 2S -0.00772 0.00404 0.00210 -0.00273 -0.00012 201 2PX 0.01536 0.00010 0.02409 -0.00829 0.00075 202 2PY 0.00410 0.00316 0.00574 -0.00007 0.00001 203 2PZ 0.01048 -0.00310 -0.01436 -0.00039 0.00045 204 3S -0.00791 0.00152 0.00783 -0.00162 0.00274 205 3PX 0.00832 0.00171 0.01633 -0.00653 -0.00036 206 3PY -0.00051 0.00383 0.00022 -0.00035 -0.00042 207 3PZ 0.00184 0.00275 -0.00988 -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 0.00743 0.00081 0.00060 -0.00382 0.00036 215 2S 0.00910 -0.00500 0.00064 0.00098 0.00006 86 87 88 89 90 86 4YY 0.00224 87 4ZZ -0.00086 0.00197 88 4XY -0.00009 -0.00059 0.00342 89 4XZ -0.00057 0.00027 -0.00027 0.00061 90 4YZ 0.00005 -0.00032 0.00139 0.00036 0.00360 91 7 H 1S -0.00360 0.00647 -0.00324 0.00507 0.00014 92 2S -0.00277 0.00711 -0.00740 0.00292 -0.00560 93 8 H 1S -0.00236 0.00004 0.00068 -0.00013 -0.00003 94 2S -0.00299 0.00016 0.00217 0.00003 0.00115 95 9 H 1S -0.00227 0.00058 -0.00075 0.00019 -0.00039 96 2S -0.00284 0.00120 -0.00266 0.00051 -0.00176 97 10 H 1S -0.00416 0.00485 0.00140 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 -0.00033 -0.00376 102 2PY 0.00244 0.00065 0.00113 -0.00072 -0.00102 103 2PZ 0.00103 -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 -0.00288 0.00011 0.00179 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 -0.00005 -0.00008 0.00001 0.00012 114 12 O 1S -0.01296 0.00527 -0.00272 0.00171 0.00167 115 2S 0.02386 -0.01174 0.00556 -0.00378 -0.00334 116 2PX -0.00842 -0.00051 0.04056 -0.00219 0.01191 117 2PY -0.00551 0.01941 -0.00818 0.00442 0.00427 118 2PZ 0.00502 -0.00804 0.01231 0.00464 0.04301 119 3S 0.02828 -0.00949 0.00452 -0.00377 -0.00282 120 3PX -0.00563 -0.00100 0.02889 -0.00156 0.00907 121 3PY -0.00257 0.01015 -0.00480 0.00254 0.00229 122 3PZ 0.00333 -0.00537 0.00940 0.00321 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 0.00011 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 0.00105 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 -0.00005 -0.00028 139 4YY 0.00004 0.00008 -0.00005 0.00000 0.00012 140 4ZZ -0.00001 0.00010 -0.00002 0.00005 0.00015 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 0.00011 0.00017 -0.00015 0.00011 0.00071 145 2S -0.00032 0.00048 -0.00034 0.00066 0.00077 146 15 H 1S -0.00056 -0.00096 0.00079 -0.00021 -0.00127 147 2S -0.00096 -0.00171 0.00141 -0.00031 -0.00297 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 0.00046 -0.00179 0.00149 0.00331 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 -0.00008 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 0.00131 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 -0.00174 -0.00039 0.00278 172 3PY 0.00041 0.00051 -0.00075 0.00030 0.00037 173 3PZ -0.00030 -0.00122 0.00105 -0.00017 -0.00103 174 4XX -0.00002 0.00001 0.00007 -0.00003 -0.00008 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 0.00037 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 0.00420 -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 -0.00191 0.00106 0.00167 -0.00071 -0.00187 205 3PX 0.00026 0.00016 0.00034 -0.00236 -0.00117 206 3PY 0.00007 0.00023 -0.00077 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 -0.00051 -0.00007 215 2S 0.00016 0.00037 0.00042 -0.00022 0.00055 91 92 93 94 95 91 7 H 1S 0.21431 92 2S 0.15589 0.13785 93 8 H 1S -0.02228 -0.02573 0.21431 94 2S -0.02573 -0.02916 0.15589 0.13785 95 9 H 1S 0.00191 0.00857 -0.01153 -0.02065 0.21482 96 2S 0.00815 0.02209 -0.02116 -0.03440 0.15694 97 10 H 1S -0.01153 -0.02065 0.00191 0.00857 -0.02337 98 2S -0.02116 -0.03440 0.00815 0.02209 -0.02616 99 11 O 1S 0.00149 0.00198 0.00308 -0.00397 0.00327 100 2S -0.00252 -0.00336 -0.00637 0.00634 -0.00635 101 2PX 0.01750 0.02867 0.00187 -0.02801 -0.00655 102 2PY -0.00863 -0.01363 -0.01830 -0.04899 -0.01532 103 2PZ 0.00254 0.01125 0.02180 -0.03601 -0.01798 104 3S -0.01226 -0.01092 -0.01801 0.00678 -0.02236 105 3PX 0.01662 0.02527 -0.00025 -0.02434 -0.00311 106 3PY -0.00812 -0.01005 -0.01491 -0.03123 -0.01315 107 3PZ 0.00337 0.01039 0.01509 -0.02713 -0.01176 108 4XX 0.00060 0.00050 0.00051 0.00065 0.00142 109 4YY 0.00025 0.00003 -0.00076 -0.00293 -0.00059 110 4ZZ 0.00043 0.00044 0.00149 0.00121 0.00099 111 4XY 0.00009 0.00016 0.00111 0.00098 -0.00112 112 4XZ 0.00007 0.00012 0.00059 0.00057 0.00090 113 4YZ -0.00034 -0.00030 0.00176 -0.00012 -0.00182 114 12 O 1S 0.00308 -0.00397 0.00149 0.00198 0.00161 115 2S -0.00637 0.00634 -0.00252 -0.00336 -0.00301 116 2PX 0.00187 -0.02801 0.01750 0.02867 -0.00961 117 2PY 0.01830 0.04899 0.00863 0.01363 0.01210 118 2PZ 0.02180 -0.03601 0.00254 0.01124 -0.01230 119 3S -0.01801 0.00678 -0.01226 -0.01092 -0.01183 120 3PX -0.00025 -0.02434 0.01662 0.02527 -0.00994 121 3PY 0.01491 0.03123 0.00812 0.01005 0.01079 122 3PZ 0.01509 -0.02713 0.00337 0.01039 -0.01261 123 4XX 0.00051 0.00065 0.00060 0.00050 0.00040 124 4YY -0.00076 -0.00293 0.00025 0.00003 0.00016 125 4ZZ 0.00149 0.00121 0.00043 0.00044 0.00048 126 4XY -0.00111 -0.00098 -0.00009 -0.00016 -0.00020 127 4XZ 0.00059 0.00057 0.00007 0.00012 0.00007 128 4YZ -0.00176 0.00012 0.00034 0.00030 -0.00015 129 13 C 1S 0.00338 0.00083 0.00338 0.00083 -0.00029 130 2S -0.00697 -0.00320 -0.00697 -0.00320 0.00056 131 2PX -0.00991 -0.00603 -0.00991 -0.00603 0.00063 132 2PY -0.01150 -0.01076 0.01150 0.01076 -0.00012 133 2PZ 0.00871 -0.00035 0.00871 -0.00035 -0.00114 134 3S -0.00817 -0.00233 -0.00817 -0.00233 0.00160 135 3PX -0.00312 -0.00240 -0.00312 -0.00240 -0.00008 136 3PY -0.00681 -0.00620 0.00681 0.00620 -0.00020 137 3PZ 0.01566 0.00833 0.01566 0.00833 -0.00181 138 4XX 0.00109 0.00050 0.00109 0.00050 -0.00022 139 4YY -0.00031 -0.00036 -0.00031 -0.00036 0.00003 140 4ZZ -0.00014 0.00040 -0.00014 0.00040 0.00013 141 4XY -0.00071 -0.00071 0.00071 0.00071 0.00018 142 4XZ -0.00055 -0.00017 -0.00055 -0.00017 0.00008 143 4YZ -0.00033 -0.00012 0.00033 0.00012 -0.00020 144 14 H 1S -0.00616 0.00077 -0.00616 0.00077 0.00092 145 2S 0.00524 0.00729 0.00524 0.00729 0.00004 146 15 H 1S 0.00658 0.00329 0.00658 0.00329 -0.00095 147 2S 0.00753 0.00285 0.00753 0.00285 -0.00172 148 16 C 1S -0.00151 -0.00096 0.00512 0.00351 0.00004 149 2S 0.00459 0.00251 -0.01126 -0.00585 -0.00040 150 2PX 0.01332 0.01544 -0.00478 -0.00486 -0.00336 151 2PY 0.00343 0.00349 0.00225 0.00108 -0.00039 152 2PZ -0.00861 -0.01173 0.01742 0.02205 0.00152 153 3S 0.00370 0.00107 -0.02925 -0.02351 0.00250 154 3PX 0.01319 0.01232 -0.01041 -0.00798 -0.00201 155 3PY -0.00921 -0.00905 -0.00423 -0.00178 0.00110 156 3PZ -0.00898 -0.00993 -0.00159 0.00098 0.00409 157 4XX 0.00083 0.00095 0.00008 -0.00067 -0.00003 158 4YY -0.00032 -0.00017 -0.00125 -0.00061 -0.00005 159 4ZZ -0.00050 -0.00061 0.00217 0.00208 -0.00019 160 4XY -0.00048 -0.00034 -0.00073 -0.00044 -0.00007 161 4XZ 0.00061 0.00094 -0.00271 -0.00138 -0.00003 162 4YZ 0.00030 0.00022 0.00057 0.00078 0.00005 163 17 H 1S -0.00155 -0.00185 -0.00922 -0.00585 0.00036 164 2S -0.01076 -0.01070 -0.00544 0.00115 0.00055 165 18 C 1S 0.00031 0.00043 -0.00194 -0.00245 0.00051 166 2S -0.00206 -0.00323 0.00573 0.00864 -0.00056 167 2PX 0.01107 0.01875 -0.01499 -0.00701 -0.00319 168 2PY 0.00196 0.00561 -0.00311 -0.00132 0.00123 169 2PZ -0.00341 -0.00477 -0.00286 -0.01278 0.00012 170 3S 0.00947 0.00889 0.00901 0.01010 -0.00537 171 3PX 0.01036 0.01460 -0.01416 -0.00618 -0.00195 172 3PY 0.00869 0.00988 -0.01077 -0.00972 0.00175 173 3PZ -0.00698 -0.00931 -0.00318 -0.00648 0.00094 174 4XX -0.00029 -0.00033 0.00018 -0.00005 0.00004 175 4YY 0.00005 0.00021 0.00003 -0.00013 0.00003 176 4ZZ 0.00031 0.00014 -0.00014 -0.00027 -0.00015 177 4XY -0.00098 -0.00062 0.00058 0.00098 0.00008 178 4XZ -0.00031 -0.00053 0.00092 0.00083 0.00011 179 4YZ -0.00011 -0.00046 0.00003 0.00024 0.00005 180 19 H 1S 0.00048 -0.00016 -0.00134 -0.00435 -0.00110 181 2S 0.00452 0.00519 -0.00342 -0.00729 0.00167 182 20 C 1S 0.00512 0.00351 -0.00151 -0.00096 0.00008 183 2S -0.01127 -0.00585 0.00459 0.00251 0.00027 184 2PX -0.00478 -0.00486 0.01332 0.01544 0.00156 185 2PY -0.00225 -0.00108 -0.00343 -0.00349 -0.00031 186 2PZ 0.01742 0.02205 -0.00861 -0.01173 -0.00099 187 3S -0.02925 -0.02351 0.00370 0.00107 -0.00220 188 3PX -0.01041 -0.00798 0.01319 0.01232 0.00160 189 3PY 0.00423 0.00178 0.00921 0.00905 -0.00129 190 3PZ -0.00159 0.00098 -0.00898 -0.00993 -0.00148 191 4XX 0.00008 -0.00067 0.00083 0.00095 -0.00004 192 4YY -0.00125 -0.00061 -0.00032 -0.00017 0.00008 193 4ZZ 0.00217 0.00208 -0.00050 -0.00061 0.00008 194 4XY 0.00073 0.00044 0.00048 0.00034 0.00004 195 4XZ -0.00271 -0.00138 0.00061 0.00094 0.00015 196 4YZ -0.00057 -0.00078 -0.00030 -0.00022 -0.00001 197 21 H 1S -0.00922 -0.00585 -0.00155 -0.00185 0.00008 198 2S -0.00544 0.00115 -0.01076 -0.01070 0.00246 199 22 C 1S -0.00194 -0.00245 0.00031 0.00043 -0.00013 200 2S 0.00573 0.00864 -0.00206 -0.00323 0.00018 201 2PX -0.01499 -0.00701 0.01107 0.01875 0.00112 202 2PY 0.00311 0.00132 -0.00196 -0.00561 -0.00071 203 2PZ -0.00286 -0.01278 -0.00341 -0.00477 -0.00055 204 3S 0.00902 0.01010 0.00947 0.00889 0.00182 205 3PX -0.01416 -0.00618 0.01036 0.01460 0.00153 206 3PY 0.01077 0.00972 -0.00869 -0.00988 0.00030 207 3PZ -0.00318 -0.00648 -0.00698 -0.00931 -0.00098 208 4XX 0.00018 -0.00005 -0.00029 -0.00033 -0.00012 209 4YY 0.00003 -0.00013 0.00005 0.00021 -0.00001 210 4ZZ -0.00014 -0.00027 0.00031 0.00014 -0.00004 211 4XY -0.00058 -0.00098 0.00098 0.00062 0.00022 212 4XZ 0.00092 0.00083 -0.00031 -0.00053 -0.00004 213 4YZ -0.00003 -0.00024 0.00011 0.00046 -0.00005 214 23 H 1S -0.00134 -0.00435 0.00048 -0.00016 -0.00014 215 2S -0.00342 -0.00729 0.00452 0.00519 -0.00043 96 97 98 99 100 96 2S 0.14022 97 10 H 1S -0.02616 0.21482 98 2S -0.03122 0.15694 0.14022 99 11 O 1S -0.00447 0.00161 0.00265 2.07870 100 2S 0.00737 -0.00301 -0.00550 -0.18242 0.50228 101 2PX 0.04000 -0.00961 -0.02313 -0.00535 0.01410 102 2PY -0.05044 -0.01210 -0.02059 0.04127 -0.08227 103 2PZ 0.02324 -0.01230 -0.02263 0.00324 -0.00848 104 3S 0.00515 -0.01183 -0.01102 -0.24486 0.59901 105 3PX 0.03074 -0.00994 -0.02062 -0.00421 0.01002 106 3PY -0.03115 -0.01079 -0.01502 0.03471 -0.06389 107 3PZ 0.02065 -0.01261 -0.02061 0.00254 -0.00579 108 4XX 0.00122 0.00040 0.00039 -0.01244 -0.00951 109 4YY -0.00307 0.00016 -0.00028 -0.01052 -0.01114 110 4ZZ 0.00123 0.00048 0.00044 -0.01235 -0.00972 111 4XY 0.00033 0.00020 0.00005 -0.00043 0.00071 112 4XZ 0.00066 0.00007 0.00011 0.00139 -0.00303 113 4YZ -0.00119 0.00015 0.00022 0.00036 -0.00063 114 12 O 1S 0.00265 0.00327 -0.00447 0.00020 -0.00028 115 2S -0.00550 -0.00635 0.00737 -0.00028 0.00221 116 2PX -0.02313 -0.00655 0.04000 -0.00001 -0.00073 117 2PY 0.02059 0.01532 0.05044 0.00020 -0.00434 118 2PZ -0.02263 -0.01798 0.02324 0.00001 0.00027 119 3S -0.01102 -0.02236 0.00515 -0.00138 -0.00211 120 3PX -0.02062 -0.00311 0.03074 0.00007 -0.00037 121 3PY 0.01502 0.01315 0.03115 0.00030 -0.00145 122 3PZ -0.02061 -0.01176 0.02065 0.00008 0.00000 123 4XX 0.00039 0.00142 0.00122 0.00005 0.00026 124 4YY -0.00028 -0.00059 -0.00307 0.00013 0.00025 125 4ZZ 0.00044 0.00099 0.00123 0.00005 0.00030 126 4XY -0.00005 0.00112 -0.00033 0.00002 -0.00002 127 4XZ 0.00011 0.00090 0.00066 0.00001 0.00001 128 4YZ -0.00022 0.00182 0.00119 -0.00003 0.00003 129 13 C 1S -0.00083 -0.00029 -0.00083 0.00024 -0.00018 130 2S 0.00234 0.00056 0.00234 0.00049 -0.00110 131 2PX 0.00246 0.00063 0.00246 -0.00035 -0.00017 132 2PY -0.00009 0.00012 0.00009 0.00074 -0.00163 133 2PZ -0.00087 -0.00114 -0.00087 0.00016 0.00045 134 3S 0.00402 0.00160 0.00402 -0.00476 0.00804 135 3PX -0.00035 -0.00008 -0.00035 -0.00143 0.00148 136 3PY -0.00013 0.00020 0.00013 0.00147 -0.00307 137 3PZ -0.00156 -0.00181 -0.00156 -0.00081 0.00101 138 4XX -0.00043 -0.00022 -0.00043 0.00014 -0.00011 139 4YY 0.00021 0.00003 0.00021 0.00003 -0.00008 140 4ZZ 0.00022 0.00013 0.00022 0.00007 -0.00033 141 4XY 0.00045 -0.00018 -0.00045 0.00007 -0.00025 142 4XZ 0.00027 0.00008 0.00027 -0.00004 0.00005 143 4YZ -0.00039 0.00020 0.00039 0.00007 -0.00012 144 14 H 1S 0.00127 0.00092 0.00127 -0.00013 -0.00052 145 2S 0.00022 0.00004 0.00022 0.00001 -0.00150 146 15 H 1S -0.00211 -0.00095 -0.00211 0.00040 0.00007 147 2S -0.00454 -0.00172 -0.00454 0.00027 0.00025 148 16 C 1S -0.00004 0.00008 -0.00041 0.00002 0.00104 149 2S -0.00012 0.00027 0.00144 0.00013 -0.00046 150 2PX -0.00799 0.00156 0.00496 0.00136 0.00094 151 2PY -0.00179 0.00031 0.00267 -0.00116 0.00384 152 2PZ 0.00155 -0.00099 -0.00351 -0.00019 -0.00023 153 3S 0.00356 -0.00220 -0.00110 0.00331 -0.00026 154 3PX -0.00650 0.00160 0.00557 -0.00187 0.00774 155 3PY -0.00185 0.00129 0.00274 -0.00005 0.00302 156 3PZ 0.00497 -0.00148 -0.00526 -0.00172 0.00380 157 4XX 0.00003 -0.00004 -0.00014 0.00012 -0.00036 158 4YY 0.00013 0.00008 0.00018 0.00003 -0.00040 159 4ZZ -0.00048 0.00008 0.00007 -0.00011 -0.00010 160 4XY -0.00008 -0.00004 -0.00013 -0.00009 0.00030 161 4XZ 0.00012 0.00015 0.00042 0.00001 0.00018 162 4YZ 0.00004 0.00001 -0.00003 -0.00004 0.00007 163 17 H 1S 0.00171 0.00008 -0.00067 0.00088 -0.00275 164 2S -0.00139 0.00246 0.00261 -0.00261 0.00490 165 18 C 1S 0.00044 -0.00013 -0.00008 0.00008 0.00050 166 2S -0.00029 0.00018 -0.00015 -0.00042 0.00099 167 2PX -0.00248 0.00112 0.00638 0.00090 0.00313 168 2PY 0.00072 0.00071 0.00131 -0.00047 0.00003 169 2PZ 0.00250 -0.00055 -0.00236 -0.00006 -0.00187 170 3S -0.00435 0.00182 0.00193 0.00257 -0.00912 171 3PX -0.00145 0.00153 0.00476 0.00070 0.00255 172 3PY 0.00225 -0.00030 -0.00082 0.00022 -0.00128 173 3PZ 0.00170 -0.00098 -0.00298 -0.00037 0.00119 174 4XX -0.00007 -0.00012 -0.00012 -0.00008 0.00012 175 4YY 0.00005 -0.00001 -0.00003 0.00002 -0.00021 176 4ZZ -0.00016 -0.00004 0.00015 -0.00002 0.00012 177 4XY 0.00033 -0.00022 -0.00028 -0.00004 0.00017 178 4XZ 0.00023 -0.00004 -0.00011 -0.00008 0.00009 179 4YZ -0.00016 0.00005 0.00011 0.00005 -0.00015 180 19 H 1S 0.00044 -0.00014 -0.00033 0.00021 -0.00021 181 2S 0.00291 -0.00043 -0.00046 -0.00054 0.00131 182 20 C 1S -0.00041 0.00004 -0.00004 -0.00016 0.00044 183 2S 0.00144 -0.00040 -0.00012 0.00014 -0.00059 184 2PX 0.00496 -0.00336 -0.00799 0.00043 -0.00120 185 2PY -0.00267 0.00039 0.00179 -0.00067 0.00200 186 2PZ -0.00351 0.00152 0.00155 -0.00020 0.00108 187 3S -0.00110 0.00250 0.00356 0.00201 -0.00485 188 3PX 0.00557 -0.00201 -0.00650 0.00043 -0.00188 189 3PY -0.00274 -0.00110 0.00185 -0.00120 0.00195 190 3PZ -0.00526 0.00409 0.00496 -0.00053 0.00157 191 4XX -0.00014 -0.00003 0.00003 -0.00002 0.00001 192 4YY 0.00018 -0.00005 0.00013 -0.00006 0.00015 193 4ZZ 0.00007 -0.00019 -0.00048 0.00000 -0.00009 194 4XY 0.00013 0.00007 0.00008 0.00007 -0.00016 195 4XZ 0.00042 -0.00003 0.00012 0.00000 0.00014 196 4YZ 0.00003 -0.00005 -0.00004 0.00002 0.00000 197 21 H 1S -0.00067 0.00036 0.00171 -0.00040 0.00113 198 2S 0.00261 0.00055 -0.00140 -0.00039 0.00158 199 22 C 1S -0.00008 0.00051 0.00044 0.00009 0.00046 200 2S -0.00015 -0.00056 -0.00029 0.00004 -0.00094 201 2PX 0.00638 -0.00319 -0.00248 0.00058 0.00178 202 2PY -0.00131 -0.00123 -0.00072 0.00026 0.00031 203 2PZ -0.00236 0.00012 0.00250 -0.00030 -0.00045 204 3S 0.00193 -0.00537 -0.00435 -0.00129 0.00331 205 3PX 0.00476 -0.00195 -0.00145 0.00031 0.00128 206 3PY 0.00082 -0.00175 -0.00225 0.00079 -0.00159 207 3PZ -0.00298 0.00094 0.00170 0.00006 -0.00128 208 4XX -0.00012 0.00004 -0.00007 -0.00001 -0.00004 209 4YY -0.00003 0.00003 0.00005 -0.00007 0.00014 210 4ZZ 0.00015 -0.00015 -0.00016 0.00003 -0.00012 211 4XY 0.00028 -0.00008 -0.00033 0.00001 -0.00023 212 4XZ -0.00011 0.00011 0.00023 0.00000 -0.00002 213 4YZ -0.00011 -0.00005 0.00016 -0.00002 0.00008 214 23 H 1S -0.00033 -0.00110 0.00044 0.00003 0.00001 215 2S -0.00046 0.00167 0.00291 -0.00002 0.00020 101 102 103 104 105 101 2PX 0.68665 102 2PY -0.00023 0.60050 103 2PZ 0.13539 0.01056 0.70002 104 3S 0.01773 -0.24259 -0.00870 0.76574 105 3PX 0.46898 0.01104 0.10558 0.00903 0.32260 106 3PY 0.00683 0.32747 0.00480 -0.14986 0.01070 107 3PZ 0.10562 0.00126 0.47854 -0.00387 0.08096 108 4XX -0.00608 -0.00547 -0.00172 -0.01016 -0.00413 109 4YY 0.00331 0.04158 -0.00188 -0.02361 0.00291 110 4ZZ 0.00199 -0.00537 0.00449 -0.01036 0.00131 111 4XY 0.03360 -0.00298 0.00060 0.00164 0.02228 112 4XZ 0.00305 0.00024 -0.00473 -0.00377 0.00196 113 4YZ 0.00077 0.00208 0.03375 -0.00116 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 0.00766 -0.02649 0.00446 0.02822 117 2PY -0.00766 -0.00191 0.00733 0.01445 -0.00665 118 2PZ -0.02649 -0.00733 0.02924 -0.00329 -0.02152 119 3S 0.00446 -0.01445 -0.00329 0.01464 0.00214 120 3PX 0.02822 0.00665 -0.02152 0.00214 0.02092 121 3PY -0.00682 0.00268 0.00648 0.00378 -0.00537 122 3PZ -0.02247 -0.00551 0.02089 -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 0.00440 0.00109 -0.00306 -0.00232 0.00333 130 2S -0.00436 -0.00039 0.00799 -0.00093 -0.00352 131 2PX -0.01327 -0.00294 0.00969 0.00568 -0.01190 132 2PY 0.00694 -0.00039 0.00076 -0.00405 0.00474 133 2PZ -0.00371 -0.00110 0.00060 -0.00527 -0.00345 134 3S -0.05109 -0.02351 0.01830 0.01702 -0.03583 135 3PX -0.00742 -0.00418 -0.00310 0.00857 -0.00637 136 3PY 0.01810 0.00315 -0.00359 -0.00602 0.01206 137 3PZ -0.01649 -0.01205 0.00839 0.00312 -0.01109 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 -0.00052 143 4YZ 0.00144 0.00048 -0.00163 -0.00055 0.00107 144 14 H 1S -0.00394 -0.00092 0.00395 0.00512 -0.00246 145 2S -0.00371 -0.00566 0.01007 0.00637 -0.00189 146 15 H 1S 0.01044 0.00265 -0.00951 -0.00632 0.00895 147 2S 0.02175 0.00584 -0.02378 -0.00585 0.01706 148 16 C 1S -0.00671 -0.00220 0.00471 -0.00433 -0.00330 149 2S 0.01576 0.00162 -0.01021 -0.00427 0.00847 150 2PX 0.05925 0.01341 -0.05467 -0.02493 0.04591 151 2PY -0.00594 -0.00120 -0.00483 -0.00045 -0.00205 152 2PZ -0.02461 -0.00546 0.01914 0.00378 -0.01826 153 3S 0.03815 0.03809 -0.01564 -0.01613 0.02433 154 3PX 0.00778 0.00518 -0.04016 -0.00654 0.00847 155 3PY -0.01144 0.01183 -0.02446 -0.00238 -0.00815 156 3PZ -0.04099 -0.00074 0.01840 0.01046 -0.02891 157 4XX 0.00119 -0.00034 0.00021 -0.00078 0.00131 158 4YY -0.00008 0.00000 0.00047 -0.00004 -0.00041 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 0.00387 0.00241 0.00152 0.00000 -0.00023 164 2S -0.04709 -0.00930 -0.01198 0.01212 -0.03570 165 18 C 1S -0.00106 0.00007 0.00186 -0.00226 0.00032 166 2S -0.00279 0.00267 -0.00134 0.00114 -0.00332 167 2PX 0.00945 0.00752 -0.02235 -0.02868 0.00677 168 2PY -0.00492 0.00040 0.00511 0.00724 -0.00322 169 2PZ 0.00300 -0.00178 0.00692 0.00980 0.00226 170 3S 0.03977 -0.01593 -0.01537 -0.00790 0.02780 171 3PX 0.00557 0.00769 -0.01974 -0.01908 0.00372 172 3PY 0.00488 -0.00239 -0.00043 0.00026 0.00432 173 3PZ -0.00943 0.01045 -0.00288 0.00706 -0.00719 174 4XX -0.00184 0.00002 0.00118 0.00055 -0.00122 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 0.00158 0.00078 -0.00183 179 4YZ 0.00050 0.00019 -0.00041 0.00012 0.00035 180 19 H 1S 0.00500 0.00096 -0.00450 -0.00342 0.00306 181 2S 0.00045 -0.00495 0.00820 -0.00044 0.00099 182 20 C 1S 0.00265 0.00117 -0.00560 0.00056 0.00217 183 2S -0.00981 -0.00433 0.01017 0.00111 -0.00755 184 2PX -0.01951 -0.01041 0.03097 -0.00180 -0.01464 185 2PY 0.00518 0.00526 -0.01113 0.00264 0.00486 186 2PZ 0.01283 0.00550 -0.01973 -0.00158 0.01097 187 3S 0.01025 0.00084 0.02949 -0.00843 0.00481 188 3PX -0.01778 -0.01263 0.03848 -0.00013 -0.01392 189 3PY -0.01746 -0.00930 -0.00807 0.00699 -0.01142 190 3PZ 0.01893 0.00991 -0.02545 -0.00196 0.01388 191 4XX 0.00061 -0.00026 -0.00122 -0.00022 0.00052 192 4YY -0.00095 -0.00015 0.00017 0.00017 -0.00072 193 4ZZ 0.00085 -0.00008 -0.00094 0.00037 0.00076 194 4XY -0.00004 -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 0.00003 -0.00010 -0.00019 197 21 H 1S -0.00138 0.00223 -0.00144 0.00208 -0.00090 198 2S 0.00357 0.00788 -0.00425 -0.00010 0.00257 199 22 C 1S 0.00046 -0.00019 -0.00115 -0.00315 0.00024 200 2S -0.00234 -0.00120 0.00362 0.00322 -0.00183 201 2PX -0.03083 -0.00653 0.03454 -0.01708 -0.02463 202 2PY 0.00430 -0.00088 -0.00466 -0.00512 0.00383 203 2PZ 0.00642 0.00231 -0.00915 0.00703 0.00451 204 3S -0.02001 0.00261 0.00703 0.01100 -0.01326 205 3PX -0.02065 -0.00227 0.02471 -0.01144 -0.01669 206 3PY 0.00977 -0.00249 -0.00559 -0.00404 0.00773 207 3PZ 0.01609 0.00062 -0.00729 0.00217 0.01144 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 0.00157 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 -0.00338 215 2S -0.00749 -0.00162 0.00217 -0.00066 -0.00596 106 107 108 109 110 106 3PY 0.18079 107 3PZ 0.00026 0.32936 108 4XX -0.00285 -0.00121 0.00051 109 4YY 0.02264 -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 0.00683 -0.02247 -0.00071 0.00022 -0.00015 117 2PY 0.00268 0.00551 -0.00112 -0.00065 -0.00132 118 2PZ -0.00648 0.02089 0.00048 -0.00040 0.00005 119 3S -0.00378 -0.00185 -0.00017 -0.00177 -0.00023 120 3PX 0.00537 -0.01820 -0.00051 0.00030 -0.00008 121 3PY 0.00210 0.00481 -0.00049 0.00009 -0.00060 122 3PZ -0.00481 0.01492 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 -0.00065 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 -0.00083 0.00033 0.00011 0.00039 134 3S -0.01372 0.01475 0.00003 -0.00185 0.00004 135 3PX -0.00092 -0.00135 -0.00040 -0.00050 -0.00028 136 3PY 0.00135 -0.00312 0.00010 0.00031 0.00003 137 3PZ -0.00692 0.00469 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 0.00082 0.00000 -0.00002 0.00002 143 4YZ 0.00017 -0.00131 0.00003 0.00002 0.00000 144 14 H 1S 0.00059 0.00441 -0.00039 -0.00020 -0.00026 145 2S -0.00145 0.00774 -0.00041 -0.00056 -0.00027 146 15 H 1S 0.00038 -0.00874 0.00044 0.00034 0.00020 147 2S 0.00285 -0.01976 0.00043 0.00052 -0.00001 148 16 C 1S -0.00274 0.00335 0.00048 0.00036 0.00073 149 2S 0.00043 -0.00741 0.00031 0.00023 0.00009 150 2PX 0.00292 -0.04436 0.00178 0.00147 0.00061 151 2PY -0.00080 -0.00323 -0.00015 0.00053 0.00048 152 2PZ -0.00220 0.01411 -0.00043 -0.00012 0.00011 153 3S 0.01949 -0.01009 0.00008 0.00291 -0.00029 154 3PX -0.00064 -0.03220 0.00132 0.00044 0.00009 155 3PY 0.00587 -0.01637 -0.00005 0.00108 -0.00010 156 3PZ 0.00053 0.01438 -0.00043 -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 -0.00768 0.00025 -0.00122 -0.00049 165 18 C 1S -0.00071 0.00063 0.00032 0.00034 0.00028 166 2S 0.00163 -0.00009 -0.00025 0.00017 -0.00015 167 2PX -0.00482 -0.01589 0.00192 0.00124 0.00161 168 2PY 0.00228 0.00357 -0.00033 -0.00025 -0.00049 169 2PZ 0.00137 0.00622 -0.00063 -0.00081 -0.00069 170 3S -0.00746 -0.01179 0.00014 -0.00087 0.00051 171 3PX -0.00156 -0.01390 0.00120 0.00104 0.00108 172 3PY -0.00056 -0.00063 0.00008 -0.00023 0.00000 173 3PZ 0.00743 -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 0.00593 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 -0.01548 0.00025 0.00010 0.00001 187 3S -0.00128 0.02280 0.00005 0.00004 0.00058 188 3PX -0.00802 0.03047 -0.00008 -0.00051 0.00034 189 3PY -0.00424 -0.00636 -0.00002 -0.00064 -0.00018 190 3PZ 0.00560 -0.01979 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 -0.00144 -0.00011 0.00014 0.00000 198 2S 0.00485 -0.00338 -0.00004 0.00054 -0.00001 199 22 C 1S -0.00087 -0.00100 0.00024 0.00017 0.00029 200 2S -0.00006 0.00316 -0.00010 -0.00035 -0.00025 201 2PX -0.01075 0.02875 0.00093 0.00044 0.00164 202 2PY -0.00209 -0.00377 0.00037 0.00018 0.00042 203 2PZ 0.00437 -0.00829 -0.00040 0.00005 -0.00067 204 3S 0.00265 0.00534 -0.00051 -0.00013 -0.00076 205 3PX -0.00604 0.02052 0.00053 0.00035 0.00117 206 3PY -0.00176 -0.00427 0.00028 -0.00003 0.00023 207 3PZ 0.00199 -0.00674 -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 -0.00535 0.01410 117 2PY -0.00048 0.00006 0.00033 -0.04127 0.08227 118 2PZ -0.00087 -0.00033 0.00091 0.00324 -0.00848 119 3S 0.00035 -0.00007 -0.00034 -0.24486 0.59901 120 3PX 0.00086 0.00027 -0.00071 -0.00421 0.01002 121 3PY -0.00039 0.00006 0.00028 -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 -0.01114 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 -0.00143 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 -0.00023 -0.00006 0.00013 -0.00013 -0.00052 145 2S -0.00035 -0.00004 0.00055 0.00001 -0.00150 146 15 H 1S 0.00055 0.00010 -0.00027 0.00040 0.00007 147 2S 0.00117 0.00026 -0.00070 0.00027 0.00025 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 0.00039 -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 -0.00021 -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 -0.00046 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 0.00774 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 0.00000 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 0.68665 117 2PY 0.00023 0.60050 118 2PZ 0.13539 -0.01055 0.70002 119 3S 0.01773 0.24259 -0.00870 0.76574 120 3PX 0.46898 -0.01104 0.10558 0.00903 0.32260 121 3PY -0.00683 0.32746 -0.00480 0.14986 -0.01070 122 3PZ 0.10562 -0.00126 0.47854 -0.00387 0.08096 123 4XX -0.00608 0.00547 -0.00172 -0.01016 -0.00413 124 4YY 0.00331 -0.04158 -0.00188 -0.02361 0.00291 125 4ZZ 0.00199 0.00537 0.00449 -0.01036 0.00131 126 4XY -0.03360 -0.00298 -0.00060 -0.00164 -0.02228 127 4XZ 0.00305 -0.00024 -0.00473 -0.00377 0.00196 128 4YZ -0.00077 0.00208 -0.03375 0.00116 -0.00103 129 13 C 1S 0.00440 -0.00109 -0.00306 -0.00232 0.00333 130 2S -0.00436 0.00039 0.00799 -0.00093 -0.00352 131 2PX -0.01327 0.00294 0.00969 0.00568 -0.01190 132 2PY -0.00694 -0.00039 -0.00076 0.00405 -0.00474 133 2PZ -0.00371 0.00110 0.00060 -0.00527 -0.00345 134 3S -0.05109 0.02351 0.01830 0.01702 -0.03583 135 3PX -0.00742 0.00418 -0.00310 0.00857 -0.00637 136 3PY -0.01810 0.00315 0.00359 0.00602 -0.01206 137 3PZ -0.01649 0.01205 0.00839 0.00312 -0.01109 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 -0.00052 143 4YZ -0.00144 0.00048 0.00164 0.00055 -0.00107 144 14 H 1S -0.00394 0.00092 0.00395 0.00512 -0.00246 145 2S -0.00371 0.00566 0.01007 0.00637 -0.00189 146 15 H 1S 0.01044 -0.00265 -0.00951 -0.00632 0.00895 147 2S 0.02175 -0.00584 -0.02378 -0.00585 0.01706 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 -0.01951 0.01041 0.03097 -0.00180 -0.01464 151 2PY -0.00518 0.00526 0.01113 -0.00264 -0.00486 152 2PZ 0.01283 -0.00550 -0.01973 -0.00158 0.01097 153 3S 0.01025 -0.00084 0.02949 -0.00843 0.00481 154 3PX -0.01778 0.01263 0.03848 -0.00013 -0.01392 155 3PY 0.01746 -0.00930 0.00807 -0.00699 0.01142 156 3PZ 0.01893 -0.00991 -0.02545 -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 0.00085 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 -0.00223 -0.00144 0.00208 -0.00090 164 2S 0.00357 -0.00788 -0.00426 -0.00011 0.00257 165 18 C 1S 0.00046 0.00019 -0.00115 -0.00315 0.00024 166 2S -0.00234 0.00120 0.00362 0.00322 -0.00183 167 2PX -0.03083 0.00653 0.03454 -0.01708 -0.02463 168 2PY -0.00430 -0.00088 0.00466 0.00512 -0.00383 169 2PZ 0.00642 -0.00231 -0.00915 0.00703 0.00451 170 3S -0.02001 -0.00261 0.00703 0.01100 -0.01326 171 3PX -0.02065 0.00227 0.02471 -0.01144 -0.01669 172 3PY -0.00977 -0.00249 0.00559 0.00404 -0.00773 173 3PZ 0.01609 -0.00062 -0.00729 0.00217 0.01144 174 4XX 0.00073 0.00012 -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 0.00131 0.00334 -0.00032 -0.00338 181 2S -0.00749 0.00162 0.00217 -0.00066 -0.00596 182 20 C 1S -0.00671 0.00220 0.00471 -0.00433 -0.00330 183 2S 0.01576 -0.00162 -0.01021 -0.00427 0.00847 184 2PX 0.05925 -0.01341 -0.05467 -0.02493 0.04591 185 2PY 0.00594 -0.00120 0.00483 0.00045 0.00205 186 2PZ -0.02461 0.00546 0.01914 0.00378 -0.01827 187 3S 0.03815 -0.03808 -0.01564 -0.01613 0.02433 188 3PX 0.00778 -0.00518 -0.04016 -0.00654 0.00847 189 3PY 0.01144 0.01183 0.02446 0.00238 0.00816 190 3PZ -0.04099 0.00074 0.01840 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 -0.04710 0.00930 -0.01198 0.01213 -0.03570 199 22 C 1S -0.00106 -0.00007 0.00186 -0.00226 0.00032 200 2S -0.00279 -0.00267 -0.00134 0.00114 -0.00332 201 2PX 0.00945 -0.00752 -0.02235 -0.02868 0.00677 202 2PY 0.00492 0.00040 -0.00511 -0.00724 0.00322 203 2PZ 0.00300 0.00178 0.00692 0.00980 0.00226 204 3S 0.03978 0.01593 -0.01537 -0.00790 0.02780 205 3PX 0.00557 -0.00769 -0.01974 -0.01908 0.00372 206 3PY -0.00488 -0.00239 0.00043 -0.00026 -0.00432 207 3PZ -0.00943 -0.01045 -0.00289 0.00706 -0.00719 208 4XX -0.00184 -0.00002 0.00118 0.00055 -0.00122 209 4YY -0.00042 -0.00030 0.00057 0.00013 -0.00041 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 0.00158 0.00078 -0.00183 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 0.00494 0.00820 -0.00044 0.00099 121 122 123 124 125 121 3PY 0.18079 122 3PZ -0.00026 0.32936 123 4XX 0.00285 -0.00121 0.00051 124 4YY -0.02263 -0.00160 -0.00019 0.00322 125 4ZZ 0.00272 0.00308 0.00042 -0.00016 0.00049 126 4XY -0.00129 -0.00092 0.00029 0.00001 -0.00012 127 4XZ -0.00024 -0.00310 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 0.00017 0.00009 0.00007 130 2S 0.00065 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 -0.00083 0.00033 0.00011 0.00039 134 3S 0.01372 0.01475 0.00003 -0.00185 0.00004 135 3PX 0.00092 -0.00135 -0.00040 -0.00050 -0.00028 136 3PY 0.00135 0.00312 -0.00010 -0.00031 -0.00003 137 3PZ 0.00692 0.00469 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 0.00082 0.00000 -0.00002 0.00002 143 4YZ 0.00017 0.00131 -0.00003 -0.00002 0.00000 144 14 H 1S -0.00059 0.00441 -0.00039 -0.00020 -0.00026 145 2S 0.00145 0.00774 -0.00041 -0.00056 -0.00027 146 15 H 1S -0.00038 -0.00874 0.00044 0.00034 0.00020 147 2S -0.00285 -0.01976 0.00043 0.00052 -0.00001 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 0.00729 0.02574 -0.00006 -0.00023 0.00042 151 2PY 0.00444 0.00948 0.00009 -0.00042 0.00008 152 2PZ -0.00286 -0.01548 0.00025 0.00010 0.00001 153 3S 0.00128 0.02280 0.00005 0.00004 0.00058 154 3PX 0.00802 0.03047 -0.00008 -0.00051 0.00034 155 3PY -0.00424 0.00636 0.00002 0.00064 0.00018 156 3PZ -0.00560 -0.01979 0.00015 0.00044 -0.00003 157 4XX 0.00017 -0.00100 0.00003 0.00000 0.00000 158 4YY 0.00006 0.00018 -0.00001 0.00000 0.00002 159 4ZZ -0.00010 -0.00070 -0.00002 -0.00002 -0.00004 160 4XY -0.00008 -0.00032 0.00001 0.00000 0.00001 161 4XZ 0.00046 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 -0.00100 0.00024 0.00017 0.00029 166 2S 0.00006 0.00316 -0.00010 -0.00035 -0.00025 167 2PX 0.01075 0.02875 0.00093 0.00044 0.00164 168 2PY -0.00209 0.00377 -0.00037 -0.00018 -0.00042 169 2PZ -0.00437 -0.00829 -0.00040 0.00005 -0.00067 170 3S -0.00265 0.00534 -0.00051 -0.00013 -0.00076 171 3PX 0.00604 0.02052 0.00053 0.00035 0.00117 172 3PY -0.00176 0.00427 -0.00028 0.00003 -0.00023 173 3PZ -0.00199 -0.00674 -0.00004 -0.00017 -0.00025 174 4XX 0.00002 -0.00074 0.00001 -0.00001 0.00001 175 4YY -0.00003 0.00016 -0.00001 0.00000 -0.00001 176 4ZZ 0.00065 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 0.00100 0.00243 0.00006 0.00004 0.00005 181 2S 0.00127 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 -0.00292 -0.04436 0.00178 0.00147 0.00061 185 2PY -0.00080 0.00323 0.00015 -0.00053 -0.00048 186 2PZ 0.00220 0.01411 -0.00043 -0.00012 0.00011 187 3S -0.01949 -0.01009 0.00008 0.00291 -0.00029 188 3PX 0.00064 -0.03220 0.00132 0.00044 0.00009 189 3PY 0.00587 0.01637 0.00005 -0.00108 0.00010 190 3PZ -0.00053 0.01438 -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 -0.00008 -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 0.00562 -0.00768 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 0.00622 -0.00063 -0.00081 -0.00069 204 3S 0.00746 -0.01179 0.00014 -0.00087 0.00051 205 3PX 0.00156 -0.01390 0.00120 0.00104 0.00108 206 3PY -0.00056 0.00063 -0.00008 0.00023 0.00000 207 3PZ -0.00743 -0.00043 -0.00063 0.00044 -0.00080 208 4XX -0.00009 0.00079 -0.00003 -0.00001 -0.00002 209 4YY -0.00020 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 0.00022 0.00135 -0.00006 -0.00005 -0.00001 213 4YZ 0.00026 0.00048 0.00000 -0.00001 0.00003 214 23 H 1S 0.00075 -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 -0.19057 0.29252 135 3PX 0.00029 -0.00001 0.00003 -0.00014 -0.00623 136 3PY 0.00106 -0.00011 -0.00027 0.00000 0.00000 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 -0.00082 143 4YZ 0.00008 -0.00001 -0.00004 0.00000 0.00000 144 14 H 1S 0.00023 -0.00006 -0.00013 -0.05585 0.10753 145 2S 0.00035 -0.00004 -0.00055 -0.00830 0.02187 146 15 H 1S -0.00055 0.00010 0.00027 -0.05176 0.09980 147 2S -0.00117 0.00026 0.00070 -0.00265 0.01302 148 16 C 1S -0.00006 0.00001 0.00014 0.01234 -0.02332 149 2S 0.00041 -0.00009 -0.00018 -0.02270 0.04044 150 2PX 0.00078 0.00003 -0.00053 0.02741 -0.05236 151 2PY 0.00026 -0.00006 -0.00014 -0.04716 0.09366 152 2PZ -0.00046 -0.00002 0.00032 0.03283 -0.07184 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 0.02544 156 3PZ -0.00107 0.00006 0.00058 0.00171 -0.01187 157 4XX -0.00003 0.00002 0.00005 0.00006 -0.00057 158 4YY 0.00004 0.00000 -0.00001 -0.00268 0.00463 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 0.00408 -0.00790 163 17 H 1S -0.00001 -0.00001 -0.00005 0.01051 -0.02182 164 2S -0.00031 -0.00001 0.00003 0.01002 -0.01988 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 0.02963 168 2PY 0.00013 0.00008 -0.00018 0.00734 -0.01199 169 2PZ -0.00008 0.00013 0.00017 -0.00986 0.02334 170 3S 0.00128 -0.00004 -0.00021 0.01726 -0.03554 171 3PX 0.00033 -0.00023 -0.00050 -0.00734 0.02177 172 3PY 0.00036 -0.00001 -0.00018 0.00159 -0.00163 173 3PZ -0.00070 0.00008 -0.00004 -0.00609 0.01039 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 0.00011 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 0.02306 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 0.02741 -0.05236 185 2PY -0.00045 -0.00006 0.00009 0.04716 -0.09366 186 2PZ 0.00088 -0.00012 -0.00039 0.03283 -0.07184 187 3S -0.00180 0.00016 0.00134 -0.00036 0.01920 188 3PX -0.00030 -0.00002 0.00095 0.00242 -0.00915 189 3PY -0.00030 -0.00012 -0.00118 0.00890 -0.02544 190 3PZ 0.00211 -0.00028 -0.00035 0.00171 -0.01187 191 4XX 0.00002 0.00000 -0.00005 0.00006 -0.00057 192 4YY -0.00004 0.00000 0.00001 -0.00268 0.00463 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 0.00455 196 4YZ -0.00002 0.00000 0.00000 -0.00408 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 -0.01988 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 0.02963 202 2PY -0.00026 -0.00011 0.00037 -0.00734 0.01199 203 2PZ 0.00037 0.00000 -0.00023 -0.00986 0.02334 204 3S -0.00216 0.00029 0.00034 0.01726 -0.03554 205 3PX -0.00085 -0.00013 0.00081 -0.00734 0.02177 206 3PY 0.00004 -0.00003 0.00007 -0.00159 0.00163 207 3PZ 0.00068 0.00005 0.00052 -0.00609 0.01039 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 -0.00001 -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 0.00000 0.37725 133 2PZ -0.00372 0.00000 0.41347 134 3S 0.01634 0.00000 0.00967 0.32791 135 3PX 0.18216 0.00000 -0.00488 0.01333 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 -0.01978 0.00000 0.00944 -0.00232 -0.00956 139 4YY 0.01043 0.00000 0.00934 -0.00697 0.00449 140 4ZZ 0.00376 0.00000 -0.02213 0.00270 0.00234 141 4XY 0.00000 0.01209 0.00000 0.00000 0.00000 142 4XZ 0.01335 0.00000 0.00247 -0.00055 0.00552 143 4YZ 0.00000 0.01399 0.00000 0.00000 0.00000 144 14 H 1S 0.02047 0.00000 -0.26754 0.10176 0.01106 145 2S 0.01485 0.00000 -0.22273 0.02473 0.01388 146 15 H 1S -0.25427 0.00000 0.07070 0.08465 -0.11958 147 2S -0.21439 0.00000 0.05593 -0.00339 -0.09700 148 16 C 1S -0.03364 0.05274 -0.02848 0.00432 -0.00701 149 2S 0.07145 -0.11478 0.05590 0.01307 0.02200 150 2PX -0.02306 0.12813 -0.06870 -0.07377 -0.02167 151 2PY 0.10747 -0.17849 0.09598 0.11595 0.04869 152 2PZ -0.08929 0.14493 -0.05640 -0.04980 -0.03343 153 3S 0.07061 -0.07346 0.06263 -0.02551 0.01237 154 3PX -0.00865 0.05914 -0.02009 -0.01737 -0.01024 155 3PY 0.03464 -0.04484 0.03099 0.02001 0.00917 156 3PZ -0.02970 0.06715 -0.01565 0.00220 -0.00873 157 4XX -0.01081 -0.00120 0.00088 -0.00006 -0.00452 158 4YY 0.00656 0.00679 0.00588 0.00194 0.00170 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 0.00348 -0.00216 162 4YZ -0.00612 0.00615 -0.00014 -0.01039 -0.00366 163 17 H 1S -0.01167 0.04677 -0.00966 -0.05206 -0.01272 164 2S -0.01632 0.07857 -0.01114 -0.04278 -0.01535 165 18 C 1S 0.00907 -0.00126 0.01438 0.01978 0.00697 166 2S -0.01966 0.00955 -0.03539 -0.04001 -0.01538 167 2PX -0.01934 0.00958 0.02350 0.00432 -0.04249 168 2PY -0.01447 -0.02194 -0.01068 -0.08448 -0.03280 169 2PZ 0.02847 -0.03481 0.02659 0.05176 0.03392 170 3S -0.04368 -0.06034 -0.07186 -0.04264 -0.01781 171 3PX -0.01548 0.01126 0.02424 0.00182 -0.03172 172 3PY 0.00021 -0.04735 0.00895 -0.02403 -0.00843 173 3PZ 0.01870 0.00651 0.01859 0.01547 0.01618 174 4XX -0.00044 -0.00082 0.00216 0.00279 0.00046 175 4YY -0.00166 0.00316 -0.00279 -0.00327 -0.00135 176 4ZZ 0.00588 -0.00422 0.00509 0.00504 0.00294 177 4XY -0.00156 0.00020 -0.00065 -0.00158 -0.00218 178 4XZ 0.00281 -0.00406 0.00441 0.00428 0.00195 179 4YZ -0.00323 0.00526 -0.00361 -0.00350 -0.00121 180 19 H 1S 0.01845 -0.02217 0.01945 0.04675 0.01855 181 2S 0.03411 -0.04499 0.03719 0.05481 0.02528 182 20 C 1S -0.03364 -0.05274 -0.02848 0.00432 -0.00700 183 2S 0.07145 0.11478 0.05590 0.01307 0.02200 184 2PX -0.02306 -0.12813 -0.06870 -0.07377 -0.02167 185 2PY -0.10747 -0.17849 -0.09599 -0.11595 -0.04869 186 2PZ -0.08928 -0.14493 -0.05640 -0.04979 -0.03343 187 3S 0.07061 0.07346 0.06263 -0.02551 0.01237 188 3PX -0.00865 -0.05914 -0.02009 -0.01737 -0.01024 189 3PY -0.03464 -0.04484 -0.03099 -0.02001 -0.00917 190 3PZ -0.02970 -0.06715 -0.01565 0.00220 -0.00873 191 4XX -0.01081 0.00120 0.00088 -0.00006 -0.00452 192 4YY 0.00656 -0.00679 0.00588 0.00194 0.00170 193 4ZZ -0.00155 -0.00140 -0.01146 -0.00041 0.00070 194 4XY -0.00089 0.00661 0.00604 0.00903 0.00026 195 4XZ -0.00093 0.00403 -0.00112 0.00348 -0.00216 196 4YZ 0.00612 0.00616 0.00014 0.01039 0.00366 197 21 H 1S -0.01167 -0.04677 -0.00966 -0.05206 -0.01272 198 2S -0.01632 -0.07857 -0.01114 -0.04278 -0.01535 199 22 C 1S 0.00907 0.00126 0.01438 0.01978 0.00697 200 2S -0.01966 -0.00955 -0.03539 -0.04001 -0.01538 201 2PX -0.01934 -0.00958 0.02350 0.00432 -0.04249 202 2PY 0.01447 -0.02193 0.01068 0.08448 0.03280 203 2PZ 0.02847 0.03481 0.02659 0.05176 0.03392 204 3S -0.04368 0.06034 -0.07186 -0.04264 -0.01781 205 3PX -0.01548 -0.01126 0.02424 0.00182 -0.03172 206 3PY -0.00021 -0.04735 -0.00895 0.02403 0.00843 207 3PZ 0.01870 -0.00651 0.01859 0.01547 0.01618 208 4XX -0.00044 0.00082 0.00216 0.00279 0.00046 209 4YY -0.00166 -0.00316 -0.00279 -0.00327 -0.00135 210 4ZZ 0.00588 0.00422 0.00509 0.00504 0.00294 211 4XY 0.00156 0.00020 0.00065 0.00158 0.00218 212 4XZ 0.00281 0.00406 0.00441 0.00428 0.00195 213 4YZ 0.00323 0.00526 0.00361 0.00350 0.00121 214 23 H 1S 0.01845 0.02217 0.01945 0.04675 0.01855 215 2S 0.03411 0.04499 0.03719 0.05481 0.02528 136 137 138 139 140 136 3PY 0.08713 137 3PZ 0.00000 0.08815 138 4XX 0.00000 0.00350 0.00181 139 4YY 0.00000 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 0.00055 -0.00062 0.00031 0.00020 143 4YZ 0.00582 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 -0.11485 -0.00796 -0.00865 0.01637 145 2S 0.00000 -0.08621 -0.00768 -0.00620 0.01512 146 15 H 1S 0.00000 0.03142 0.01513 -0.00789 -0.00637 147 2S 0.00000 0.02579 0.01417 -0.00560 -0.00648 148 16 C 1S 0.00817 -0.00352 0.00124 -0.00353 0.00047 149 2S -0.02864 0.01407 -0.00313 0.00600 -0.00127 150 2PX 0.07240 -0.04437 0.00524 -0.00378 0.00115 151 2PY -0.08075 0.04131 -0.00135 -0.00469 0.00001 152 2PZ 0.07851 -0.00982 0.00121 -0.00645 0.00937 153 3S -0.00492 0.00382 -0.00148 0.00802 -0.00493 154 3PX 0.03466 -0.01598 0.00298 -0.00192 -0.00031 155 3PY -0.01944 0.00449 0.00062 -0.00138 -0.00124 156 3PZ 0.03261 -0.00094 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 -0.00158 -0.00221 0.00007 -0.00006 -0.00002 162 4YZ 0.00352 -0.00007 0.00015 0.00010 0.00012 163 17 H 1S 0.02697 -0.01142 -0.00132 0.00672 -0.00234 164 2S 0.03443 -0.01193 -0.00054 0.00420 -0.00191 165 18 C 1S -0.00269 0.00859 0.00036 0.00094 -0.00205 166 2S 0.00982 -0.01781 -0.00085 -0.00196 0.00461 167 2PX 0.00165 -0.02935 0.00728 0.00090 -0.00880 168 2PY -0.01089 -0.01882 -0.00048 0.00078 -0.00047 169 2PZ -0.04176 0.02251 -0.00174 0.00427 -0.00637 170 3S -0.02842 -0.02544 -0.00057 -0.00303 0.00582 171 3PX 0.00724 -0.01661 0.00453 0.00073 -0.00545 172 3PY -0.02261 -0.00102 -0.00022 0.00113 -0.00119 173 3PZ -0.00250 0.01145 -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 -0.02231 0.01052 0.00011 0.00096 -0.00257 181 2S -0.03401 0.01962 -0.00052 0.00135 -0.00282 182 20 C 1S -0.00817 -0.00352 0.00124 -0.00353 0.00047 183 2S 0.02864 0.01407 -0.00313 0.00600 -0.00127 184 2PX -0.07240 -0.04437 0.00524 -0.00378 0.00115 185 2PY -0.08075 -0.04131 0.00135 0.00469 -0.00001 186 2PZ -0.07851 -0.00982 0.00121 -0.00645 0.00937 187 3S 0.00492 0.00383 -0.00148 0.00802 -0.00493 188 3PX -0.03466 -0.01598 0.00298 -0.00192 -0.00031 189 3PY -0.01944 -0.00449 -0.00062 0.00138 0.00124 190 3PZ -0.03261 -0.00094 0.00024 -0.00254 0.00315 191 4XX 0.00141 0.00067 0.00082 -0.00043 -0.00039 192 4YY -0.00286 0.00133 -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 -0.00006 -0.00002 196 4YZ 0.00352 0.00007 -0.00015 -0.00010 -0.00012 197 21 H 1S -0.02697 -0.01142 -0.00132 0.00672 -0.00234 198 2S -0.03443 -0.01193 -0.00054 0.00420 -0.00191 199 22 C 1S 0.00269 0.00859 0.00036 0.00094 -0.00205 200 2S -0.00982 -0.01781 -0.00085 -0.00196 0.00461 201 2PX -0.00166 -0.02935 0.00728 0.00090 -0.00880 202 2PY -0.01089 0.01882 0.00048 -0.00078 0.00047 203 2PZ 0.04176 0.02251 -0.00174 0.00427 -0.00637 204 3S 0.02842 -0.02544 -0.00057 -0.00303 0.00582 205 3PX -0.00724 -0.01661 0.00453 0.00073 -0.00545 206 3PY -0.02261 0.00102 0.00022 -0.00113 0.00119 207 3PZ 0.00250 0.01145 -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 0.03401 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 0.00000 -0.00083 0.00000 0.21453 145 2S 0.00000 -0.00023 0.00000 0.15997 0.14145 146 15 H 1S 0.00000 -0.00847 0.00000 -0.02396 -0.04396 147 2S 0.00000 -0.00740 0.00000 -0.04469 -0.04355 148 16 C 1S 0.00377 -0.00243 0.00390 0.00792 0.01097 149 2S -0.00764 0.00456 -0.00780 -0.01694 -0.02030 150 2PX -0.00483 0.00033 0.00832 0.01896 0.01340 151 2PY -0.00746 0.00600 -0.00791 -0.01545 -0.02755 152 2PZ 0.00751 0.00077 -0.00234 0.02688 0.05864 153 3S -0.00715 0.00390 -0.00690 -0.03785 -0.04638 154 3PX -0.00444 0.00028 0.00536 0.00584 -0.00094 155 3PY -0.00167 0.00200 -0.00273 -0.01044 -0.01929 156 3PZ 0.00585 0.00009 -0.00203 0.01180 0.01929 157 4XX -0.00008 -0.00050 0.00022 -0.00182 -0.00210 158 4YY 0.00035 0.00019 0.00041 -0.00247 -0.00361 159 4ZZ 0.00015 -0.00006 -0.00011 0.00736 0.00790 160 4XY 0.00017 0.00005 0.00025 0.00104 0.00175 161 4XZ -0.00027 0.00009 -0.00014 0.00188 -0.00066 162 4YZ 0.00018 -0.00004 0.00005 -0.00255 0.00032 163 17 H 1S 0.00168 -0.00134 0.00180 -0.00896 -0.00739 164 2S 0.00440 -0.00137 0.00304 -0.00672 -0.00711 165 18 C 1S 0.00023 -0.00046 0.00131 -0.00814 -0.01159 166 2S -0.00005 0.00103 -0.00276 0.01957 0.02717 167 2PX -0.00394 -0.00037 0.00507 -0.02718 -0.07061 168 2PY -0.00089 -0.00094 0.00045 -0.00428 -0.00163 169 2PZ 0.00211 -0.00448 0.00416 -0.01956 -0.02953 170 3S -0.00429 -0.00097 -0.00166 0.03772 0.04767 171 3PX -0.00284 0.00025 0.00259 -0.02106 -0.04778 172 3PY -0.00263 -0.00033 -0.00040 -0.00939 -0.00869 173 3PZ 0.00259 -0.00127 -0.00026 -0.01150 -0.01371 174 4XX 0.00013 -0.00013 -0.00003 -0.00112 -0.00126 175 4YY 0.00024 -0.00011 0.00039 0.00094 0.00096 176 4ZZ -0.00039 0.00030 -0.00018 -0.00183 -0.00260 177 4XY 0.00028 0.00000 -0.00030 -0.00024 -0.00147 178 4XZ 0.00011 0.00014 -0.00034 -0.00131 -0.00077 179 4YZ -0.00003 -0.00018 -0.00018 0.00127 0.00198 180 19 H 1S -0.00011 -0.00062 0.00160 -0.00913 -0.01888 181 2S -0.00117 0.00023 0.00187 -0.01636 -0.02360 182 20 C 1S -0.00377 -0.00243 -0.00390 0.00792 0.01097 183 2S 0.00764 0.00456 0.00780 -0.01694 -0.02030 184 2PX 0.00483 0.00033 -0.00832 0.01896 0.01340 185 2PY -0.00746 -0.00600 -0.00791 0.01545 0.02755 186 2PZ -0.00751 0.00077 0.00234 0.02687 0.05864 187 3S 0.00715 0.00390 0.00690 -0.03785 -0.04638 188 3PX 0.00444 0.00028 -0.00536 0.00584 -0.00094 189 3PY -0.00167 -0.00200 -0.00273 0.01044 0.01929 190 3PZ -0.00585 0.00009 0.00203 0.01180 0.01929 191 4XX 0.00008 -0.00050 -0.00022 -0.00182 -0.00210 192 4YY -0.00035 0.00019 -0.00041 -0.00247 -0.00361 193 4ZZ -0.00015 -0.00006 0.00011 0.00736 0.00790 194 4XY 0.00017 -0.00005 0.00025 -0.00104 -0.00175 195 4XZ 0.00027 0.00009 0.00014 0.00188 -0.00066 196 4YZ 0.00018 0.00004 0.00005 0.00255 -0.00032 197 21 H 1S -0.00168 -0.00134 -0.00180 -0.00896 -0.00739 198 2S -0.00440 -0.00137 -0.00304 -0.00672 -0.00711 199 22 C 1S -0.00023 -0.00046 -0.00131 -0.00814 -0.01159 200 2S 0.00005 0.00103 0.00276 0.01957 0.02717 201 2PX 0.00394 -0.00037 -0.00507 -0.02718 -0.07061 202 2PY -0.00089 0.00094 0.00045 0.00428 0.00163 203 2PZ -0.00211 -0.00448 -0.00416 -0.01956 -0.02953 204 3S 0.00429 -0.00097 0.00166 0.03772 0.04767 205 3PX 0.00284 0.00025 -0.00259 -0.02106 -0.04778 206 3PY -0.00263 0.00033 -0.00040 0.00939 0.00869 207 3PZ -0.00259 -0.00127 0.00026 -0.01150 -0.01371 208 4XX -0.00013 -0.00013 0.00003 -0.00112 -0.00126 209 4YY -0.00024 -0.00011 -0.00039 0.00094 0.00096 210 4ZZ 0.00039 0.00030 0.00018 -0.00183 -0.00260 211 4XY 0.00028 0.00000 -0.00030 0.00024 0.00147 212 4XZ -0.00011 0.00014 0.00034 -0.00131 -0.00077 213 4YZ -0.00003 0.00018 -0.00018 -0.00127 -0.00198 214 23 H 1S 0.00011 -0.00062 -0.00160 -0.00913 -0.01888 215 2S 0.00117 0.00023 -0.00187 -0.01636 -0.02360 146 147 148 149 150 146 15 H 1S 0.21008 147 2S 0.15714 0.14021 148 16 C 1S 0.00917 0.01373 2.05589 149 2S -0.02464 -0.03127 -0.06329 0.33144 150 2PX -0.00058 0.02443 0.00145 -0.00654 0.31536 151 2PY -0.01687 -0.03499 0.00371 0.00249 -0.00023 152 2PZ 0.01761 0.02262 -0.00187 0.00428 0.03445 153 3S -0.02690 -0.02699 -0.20671 0.31134 0.03956 154 3PX 0.00657 0.01419 -0.00760 0.00540 0.18699 155 3PY -0.00455 -0.00819 -0.01132 -0.00267 0.01297 156 3PZ 0.00977 0.00745 0.00377 -0.01379 -0.04062 157 4XX 0.00754 0.00735 -0.01098 -0.01388 0.00440 158 4YY -0.00194 -0.00319 -0.01913 0.00304 -0.00584 159 4ZZ -0.00195 -0.00093 -0.01373 -0.00741 0.00152 160 4XY -0.00360 -0.00104 -0.00043 0.00062 0.00655 161 4XZ 0.00188 -0.00047 -0.00236 0.00502 0.00329 162 4YZ 0.00086 0.00200 -0.00163 0.00339 0.00232 163 17 H 1S -0.00538 -0.00175 -0.06319 0.11911 -0.03746 164 2S -0.00065 0.00107 -0.01549 0.02817 -0.04009 165 18 C 1S 0.00094 -0.00010 0.01657 -0.03100 -0.01753 166 2S -0.00319 -0.00104 -0.03335 0.05697 0.03332 167 2PX 0.03757 0.02060 0.00868 -0.02157 0.16743 168 2PY 0.00224 0.00164 0.02730 -0.06164 -0.02432 169 2PZ -0.00623 -0.00297 0.07318 -0.14672 -0.12722 170 3S 0.00200 0.00933 0.01490 0.00960 0.05451 171 3PX 0.02691 0.01169 -0.00837 0.00934 0.11305 172 3PY 0.00005 -0.00112 0.00690 -0.01092 -0.00524 173 3PZ -0.00511 -0.00203 0.00324 -0.02791 -0.06878 174 4XX 0.00095 0.00048 0.00151 -0.00323 -0.00561 175 4YY -0.00008 0.00004 0.00247 -0.00596 -0.00241 176 4ZZ -0.00144 -0.00164 -0.00512 0.00944 0.00453 177 4XY 0.00117 0.00060 -0.00109 0.00186 -0.00260 178 4XZ -0.00091 -0.00199 -0.00204 0.00373 -0.00963 179 4YZ 0.00041 0.00106 -0.00382 0.00713 0.00296 180 19 H 1S -0.00114 -0.00297 0.01288 -0.02707 -0.01156 181 2S -0.00723 -0.01107 0.01728 -0.02975 -0.02328 182 20 C 1S 0.00917 0.01373 -0.00488 0.00911 0.00609 183 2S -0.02463 -0.03127 0.00911 -0.02480 -0.01322 184 2PX -0.00058 0.02443 0.00609 -0.01322 -0.10530 185 2PY 0.01687 0.03499 -0.01323 0.03584 -0.00046 186 2PZ 0.01761 0.02262 0.00342 -0.00193 0.03554 187 3S -0.02690 -0.02699 0.02222 -0.03424 -0.02559 188 3PX 0.00657 0.01419 0.00605 -0.00917 -0.08739 189 3PY 0.00455 0.00819 -0.01036 0.01534 -0.01742 190 3PZ 0.00977 0.00745 -0.00039 0.00558 0.04919 191 4XX 0.00754 0.00735 0.00056 -0.00212 0.00047 192 4YY -0.00194 -0.00319 -0.00298 0.00643 -0.00208 193 4ZZ -0.00195 -0.00093 0.00081 -0.00217 0.00169 194 4XY 0.00360 0.00104 0.00010 -0.00079 -0.00199 195 4XZ 0.00188 -0.00047 0.00029 -0.00073 0.00095 196 4YZ -0.00086 -0.00200 -0.00040 0.00079 0.00045 197 21 H 1S -0.00538 -0.00175 -0.00895 0.02099 -0.00332 198 2S -0.00065 0.00107 -0.01124 0.02905 0.01433 199 22 C 1S 0.00094 -0.00010 -0.00485 0.01201 -0.00082 200 2S -0.00319 -0.00104 0.01143 -0.02722 0.00379 201 2PX 0.03757 0.02060 -0.00594 0.00886 -0.00496 202 2PY -0.00224 -0.00164 -0.01039 0.03223 0.01249 203 2PZ -0.00623 -0.00297 -0.00934 0.02208 -0.00811 204 3S 0.00200 0.00933 0.00620 -0.03282 -0.02313 205 3PX 0.02691 0.01169 -0.00048 0.00088 -0.01544 206 3PY -0.00005 0.00112 -0.00307 0.01513 0.01912 207 3PZ -0.00511 -0.00203 0.00261 0.00313 0.01219 208 4XX 0.00095 0.00048 -0.00010 0.00046 0.00090 209 4YY -0.00008 0.00004 -0.00149 0.00321 0.00139 210 4ZZ -0.00144 -0.00164 0.00006 0.00026 -0.00172 211 4XY -0.00117 -0.00060 -0.00020 0.00046 -0.00839 212 4XZ -0.00091 -0.00199 -0.00037 0.00096 0.00187 213 4YZ -0.00041 -0.00106 -0.00241 0.00511 0.00474 214 23 H 1S -0.00114 -0.00297 -0.00897 0.02075 0.00408 215 2S -0.00723 -0.01107 -0.01359 0.02908 -0.00060 151 152 153 154 155 151 2PY 0.42636 152 2PZ 0.01290 0.40301 153 3S -0.02362 -0.00878 0.34778 154 3PX 0.01261 -0.02040 0.03015 0.12139 155 3PY 0.13326 0.00871 0.00644 0.00859 0.05358 156 3PZ -0.00687 0.17275 -0.01841 -0.04353 0.00228 157 4XX 0.00350 -0.00536 -0.01164 0.00305 0.00109 158 4YY -0.01409 -0.01207 0.00568 -0.00241 -0.00373 159 4ZZ 0.00581 0.01397 -0.00883 -0.00081 0.00123 160 4XY -0.01016 0.00270 0.00286 0.00275 -0.00209 161 4XZ 0.00318 -0.00145 0.00630 0.00243 0.00207 162 4YZ -0.00916 0.00965 0.00459 0.00011 -0.00199 163 17 H 1S -0.25553 -0.06625 0.13243 -0.02075 -0.07892 164 2S -0.21196 -0.04174 0.04374 -0.02533 -0.05813 165 18 C 1S -0.02190 -0.07271 -0.00805 -0.00162 -0.00840 166 2S 0.03995 0.15470 0.03681 0.00181 0.02300 167 2PX -0.00473 -0.15010 0.03772 0.11266 0.02606 168 2PY -0.01298 -0.13054 -0.02115 -0.00965 0.02048 169 2PZ -0.08652 -0.23920 -0.17109 -0.05887 -0.04446 170 3S 0.06967 0.06872 -0.02745 0.02338 0.01649 171 3PX 0.00680 -0.06970 0.05225 0.07432 0.02246 172 3PY 0.02188 -0.08375 0.00132 0.00450 0.01160 173 3PZ -0.03436 -0.03613 -0.03129 -0.04115 -0.01118 174 4XX -0.00179 -0.00420 -0.00296 -0.00291 -0.00116 175 4YY -0.01058 -0.00786 -0.00533 -0.00115 -0.00307 176 4ZZ 0.00880 0.00062 0.00842 0.00352 0.00213 177 4XY -0.00242 0.00344 0.00463 -0.00266 0.00105 178 4XZ 0.00365 0.00393 0.00073 -0.00582 0.00033 179 4YZ -0.00677 0.00781 0.01033 0.00103 -0.00178 180 19 H 1S 0.00321 -0.04706 -0.05736 -0.00234 -0.00890 181 2S 0.01819 -0.09170 -0.06037 -0.00209 -0.00892 182 20 C 1S 0.01323 0.00342 0.02222 0.00604 0.01036 183 2S -0.03584 -0.00193 -0.03424 -0.00917 -0.01534 184 2PX 0.00046 0.03553 -0.02559 -0.08739 0.01742 185 2PY 0.03906 -0.00361 0.05771 -0.00770 0.01075 186 2PZ 0.00361 -0.04356 -0.07156 0.03730 -0.03047 187 3S -0.05771 -0.07156 -0.02904 -0.01717 -0.01193 188 3PX 0.00770 0.03730 -0.01717 -0.06748 0.01289 189 3PY 0.01075 0.03047 0.01193 -0.01289 -0.00363 190 3PZ 0.02650 -0.05370 -0.02179 0.04347 -0.00752 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 -0.00089 0.00053 -0.00171 -0.00033 -0.00110 195 4XZ -0.00216 0.00124 0.00103 0.00021 0.00065 196 4YZ 0.00072 0.00037 0.00162 0.00050 0.00024 197 21 H 1S 0.02900 -0.01434 0.04222 -0.00518 0.01185 198 2S 0.05705 -0.03236 0.05015 0.00967 0.02249 199 22 C 1S 0.01446 0.00750 0.01209 -0.00083 0.00361 200 2S -0.03230 -0.02773 -0.03595 0.00475 -0.01271 201 2PX 0.00547 0.00854 0.07504 -0.01895 0.04423 202 2PY 0.02038 0.03872 0.00511 0.01454 -0.02444 203 2PZ 0.02272 -0.00027 0.07332 -0.00310 0.00984 204 3S -0.11013 0.05768 -0.03218 -0.02433 -0.03482 205 3PX -0.00142 -0.00569 0.03713 -0.01859 0.02621 206 3PY 0.03797 -0.00599 0.00013 0.01731 -0.00097 207 3PZ 0.01494 -0.05753 0.01444 0.01579 0.00075 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 0.00095 -0.00041 -0.00088 -0.00029 211 4XY 0.00069 0.00644 -0.00129 -0.00569 -0.00061 212 4XZ 0.00093 -0.00090 0.00029 0.00226 -0.00098 213 4YZ 0.00554 0.00783 0.00811 0.00257 0.00283 214 23 H 1S 0.01551 0.02823 0.04451 0.00254 0.00315 215 2S 0.02823 0.06260 0.05035 -0.00333 0.00884 156 157 158 159 160 156 3PZ 0.09381 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 -0.00147 -0.00012 0.00001 -0.00019 0.00000 162 4YZ 0.00318 -0.00035 0.00020 0.00000 0.00043 163 17 H 1S -0.02010 -0.00726 0.01364 -0.00887 0.00564 164 2S -0.00185 -0.00432 0.01181 -0.00640 0.00496 165 18 C 1S -0.01382 0.00228 0.00284 -0.00568 -0.00077 166 2S 0.04138 -0.00497 -0.00623 0.01026 0.00168 167 2PX -0.08798 0.00573 0.00308 -0.00767 0.00297 168 2PY -0.05888 0.00165 0.00950 -0.00653 0.00226 169 2PZ -0.08061 0.00689 0.00628 -0.00120 -0.00353 170 3S -0.01121 0.00034 -0.00996 0.01086 -0.00024 171 3PX -0.04678 0.00239 0.00190 -0.00521 0.00202 172 3PY -0.04186 0.00158 0.00245 -0.00328 -0.00033 173 3PZ 0.00106 0.00017 0.00254 0.00038 -0.00088 174 4XX 0.00013 0.00020 0.00019 -0.00031 -0.00017 175 4YY -0.00283 0.00009 0.00075 -0.00032 0.00024 176 4ZZ -0.00085 -0.00019 -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 -0.02464 0.00193 -0.00239 0.00409 -0.00201 181 2S -0.04025 0.00267 -0.00061 0.00077 -0.00289 182 20 C 1S -0.00039 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 -0.00208 0.00169 0.00199 185 2PY -0.02650 0.00422 -0.01251 0.00449 -0.00089 186 2PZ -0.05370 0.00314 -0.00425 0.00157 -0.00053 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 -0.04813 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 -0.01865 0.00094 -0.00372 0.00075 -0.00062 198 2S -0.03100 0.00137 -0.00413 0.00011 -0.00082 199 22 C 1S 0.00513 0.00022 -0.00140 0.00018 -0.00085 200 2S -0.01854 -0.00014 0.00345 -0.00031 0.00199 201 2PX 0.03181 0.00033 0.00211 -0.00511 0.00228 202 2PY 0.02742 0.00131 -0.00673 0.00100 -0.00301 203 2PZ 0.01264 0.00033 -0.00311 0.00096 -0.00235 204 3S 0.03726 -0.00176 0.00375 0.00141 0.00356 205 3PX 0.01550 0.00005 0.00266 -0.00405 0.00134 206 3PY -0.00779 0.00141 -0.00410 0.00098 -0.00155 207 3PZ -0.02867 0.00132 -0.00012 -0.00103 -0.00118 208 4XX -0.00080 0.00011 -0.00010 -0.00008 -0.00013 209 4YY 0.00063 -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 -0.00096 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 0.00597 0.21366 164 2S -0.00057 0.00524 0.15465 0.13512 165 18 C 1S -0.00186 -0.00340 0.01213 0.01192 2.05355 166 2S 0.00350 0.00685 -0.02455 -0.02093 -0.06412 167 2PX 0.01149 -0.00393 0.00529 0.01101 0.00138 168 2PY -0.00104 0.00834 0.03113 0.05959 0.00025 169 2PZ -0.00421 -0.00922 0.03317 0.04478 -0.00207 170 3S 0.00253 0.00258 -0.06098 -0.06040 -0.16687 171 3PX 0.00821 -0.00115 0.00425 0.00529 -0.00106 172 3PY 0.00037 0.00115 0.00120 0.00470 0.00347 173 3PZ -0.00232 -0.00150 0.02122 0.02507 -0.00653 174 4XX -0.00022 -0.00030 0.00072 0.00094 -0.01193 175 4YY -0.00011 0.00026 0.00617 0.00691 -0.01738 176 4ZZ 0.00028 -0.00047 -0.00299 -0.00534 -0.01815 177 4XY 0.00027 0.00020 0.00251 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 0.00131 -0.00747 -0.01722 -0.01946 -0.01329 182 20 C 1S 0.00029 0.00040 -0.00895 -0.01124 -0.00485 183 2S -0.00073 -0.00079 0.02099 0.02905 0.01201 184 2PX 0.00095 -0.00045 -0.00332 0.01433 -0.00082 185 2PY 0.00216 0.00072 -0.02900 -0.05705 -0.01446 186 2PZ 0.00124 -0.00037 -0.01434 -0.03236 0.00750 187 3S 0.00103 -0.00162 0.04222 0.05015 0.01209 188 3PX 0.00021 -0.00050 -0.00518 0.00967 -0.00083 189 3PY -0.00065 0.00024 -0.01185 -0.02249 -0.00361 190 3PZ 0.00128 -0.00196 -0.01865 -0.03100 0.00513 191 4XX -0.00010 0.00011 0.00094 0.00137 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 0.00006 0.00429 0.01970 0.02544 -0.03329 201 2PX 0.00919 -0.00078 0.00915 0.02888 0.00200 202 2PY -0.00049 -0.01003 -0.03143 -0.06050 0.07815 203 2PZ -0.00338 -0.00170 -0.00869 -0.02240 -0.00471 204 3S -0.00297 0.00647 0.05356 0.05854 -0.00217 205 3PX 0.00640 -0.00031 0.01134 0.02587 0.00268 206 3PY 0.00063 -0.00395 -0.02845 -0.04015 0.01171 207 3PZ -0.00149 -0.00164 -0.00296 -0.01149 0.00024 208 4XX -0.00004 -0.00024 -0.00023 -0.00099 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 -0.00050 -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 0.34555 168 2PY 0.00330 0.00295 0.41953 169 2PZ -0.00494 0.03446 -0.00855 0.40631 170 3S 0.25603 0.01044 -0.00885 0.05250 0.27303 171 3PX 0.00297 0.21781 0.00999 -0.02358 0.00204 172 3PY -0.01855 0.01865 0.13631 0.00934 -0.00011 173 3PZ 0.02690 -0.02979 -0.00161 0.11704 0.01518 174 4XX -0.01398 -0.00287 -0.00191 0.00174 -0.01043 175 4YY -0.00239 0.00199 0.01285 0.00772 -0.00158 176 4ZZ -0.00115 0.00399 -0.01516 -0.00415 0.00070 177 4XY -0.00219 0.00355 0.00285 -0.00719 -0.00612 178 4XZ 0.00611 -0.00578 -0.00645 0.00379 0.00392 179 4YZ -0.00474 -0.00781 0.00405 -0.01409 -0.00748 180 19 H 1S 0.11706 0.07935 -0.15425 0.20134 0.13193 181 2S 0.02370 0.07026 -0.12881 0.17557 0.05961 182 20 C 1S 0.01143 -0.00594 0.01039 -0.00934 0.00620 183 2S -0.02722 0.00886 -0.03223 0.02208 -0.03282 184 2PX 0.00379 -0.00496 -0.01249 -0.00811 -0.02313 185 2PY 0.03230 -0.00547 0.02038 -0.02272 0.11013 186 2PZ -0.02773 0.00854 -0.03872 -0.00027 0.05768 187 3S -0.03595 0.07504 -0.00510 0.07332 -0.03218 188 3PX 0.00475 -0.01895 -0.01454 -0.00310 -0.02433 189 3PY 0.01271 -0.04423 -0.02445 -0.00984 0.03482 190 3PZ -0.01854 0.03181 -0.02742 0.01264 0.03726 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 -0.00511 -0.00100 0.00096 0.00141 194 4XY -0.00199 -0.00228 -0.00301 0.00235 -0.00356 195 4XZ 0.00006 0.00919 0.00049 -0.00338 -0.00297 196 4YZ -0.00429 0.00078 -0.01003 0.00170 -0.00647 197 21 H 1S 0.01970 0.00915 0.03143 -0.00869 0.05356 198 2S 0.02544 0.02888 0.06050 -0.02240 0.05854 199 22 C 1S -0.03329 0.00200 -0.07815 -0.00471 -0.00217 200 2S 0.05778 0.00379 0.16107 0.01443 0.03532 201 2PX 0.00379 0.19927 0.00862 -0.05878 -0.06923 202 2PY -0.16107 -0.00862 -0.31831 -0.02244 -0.12017 203 2PZ 0.01443 -0.05878 0.02244 0.03983 -0.01788 204 3S 0.03532 -0.06923 0.12017 -0.01788 -0.01991 205 3PX -0.00240 0.13634 0.01430 -0.03192 -0.04537 206 3PY -0.04009 0.00864 -0.09527 -0.00469 -0.00929 207 3PZ -0.00886 -0.00620 0.03056 0.04610 0.00377 208 4XX -0.00488 0.00027 -0.00678 0.00114 -0.00238 209 4YY 0.01258 -0.00019 0.00646 -0.00270 0.01062 210 4ZZ -0.00752 0.00097 -0.01183 -0.00011 -0.00906 211 4XY -0.00004 -0.01357 -0.00084 -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 -0.00596 214 23 H 1S -0.02603 -0.00336 -0.04439 -0.01973 -0.06124 215 2S -0.02437 -0.01940 -0.07837 -0.04378 -0.06426 171 172 173 174 175 171 3PX 0.14492 172 3PY 0.01391 0.05522 173 3PZ -0.03055 -0.00520 0.05198 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 -0.00181 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 0.02732 -0.04524 0.05714 -0.00407 -0.00137 181 2S 0.02335 -0.02891 0.03769 -0.00068 -0.00079 182 20 C 1S -0.00048 0.00307 0.00261 -0.00010 -0.00149 183 2S 0.00088 -0.01513 0.00313 0.00046 0.00321 184 2PX -0.01544 -0.01912 0.01219 0.00090 0.00139 185 2PY 0.00142 0.03796 -0.01494 -0.00009 -0.00444 186 2PZ -0.00569 0.00599 -0.05753 -0.00150 0.00452 187 3S 0.03713 -0.00013 0.01444 0.00074 0.00463 188 3PX -0.01859 -0.01731 0.01579 0.00101 0.00016 189 3PY -0.02621 -0.00097 -0.00075 0.00046 -0.00253 190 3PZ 0.01550 0.00779 -0.02867 -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 -0.00405 -0.00098 -0.00103 -0.00008 0.00036 194 4XY -0.00134 -0.00155 0.00118 0.00013 -0.00002 195 4XZ 0.00640 -0.00063 -0.00149 -0.00004 0.00020 196 4YZ 0.00031 -0.00395 0.00164 0.00024 -0.00035 197 21 H 1S 0.01134 0.02845 -0.00296 -0.00023 -0.00203 198 2S 0.02587 0.04015 -0.01149 -0.00099 -0.00197 199 22 C 1S 0.00268 -0.01171 0.00024 0.00213 -0.00701 200 2S -0.00240 0.04009 -0.00886 -0.00488 0.01258 201 2PX 0.13634 -0.00864 -0.00620 0.00027 -0.00019 202 2PY -0.01430 -0.09527 -0.03055 0.00678 -0.00646 203 2PZ -0.03192 0.00469 0.04610 0.00114 -0.00270 204 3S -0.04537 0.00929 0.00377 -0.00238 0.01062 205 3PX 0.09277 -0.00140 -0.00691 0.00029 0.00079 206 3PY 0.00140 -0.02147 -0.01711 0.00123 -0.00208 207 3PZ -0.00691 0.01711 0.01441 0.00013 0.00074 208 4XX 0.00029 -0.00123 0.00013 0.00029 -0.00045 209 4YY 0.00079 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 0.00218 0.00015 -0.00004 212 4XZ -0.00024 -0.00032 -0.00081 -0.00001 0.00011 213 4YZ 0.00179 -0.00087 -0.00261 -0.00005 -0.00019 214 23 H 1S 0.00043 -0.02322 0.00247 0.00108 0.00059 215 2S -0.00526 -0.03486 0.00208 0.00174 -0.00294 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 -0.00524 0.00571 -0.01296 0.21460 181 2S 0.00468 -0.00482 0.00392 -0.01150 0.16044 182 20 C 1S 0.00006 0.00020 -0.00037 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 0.00408 185 2PY -0.00040 0.00069 -0.00093 0.00554 -0.01551 186 2PZ 0.00095 -0.00644 -0.00090 -0.00783 0.02823 187 3S -0.00041 0.00129 0.00029 -0.00811 0.04451 188 3PX -0.00088 0.00569 0.00226 -0.00257 0.00254 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 0.00050 -0.00020 0.00222 -0.01000 198 2S -0.00006 0.00037 -0.00097 0.00211 -0.01895 199 22 C 1S 0.00325 -0.00002 0.00054 -0.00025 0.01278 200 2S -0.00752 0.00004 -0.00151 0.00001 -0.02603 201 2PX 0.00097 0.01357 -0.00078 0.00001 -0.00336 202 2PY 0.01183 -0.00084 0.00182 0.00126 0.04439 203 2PZ -0.00012 0.00038 0.00038 0.01309 -0.01973 204 3S -0.00906 0.00252 -0.00130 0.00596 -0.06124 205 3PX 0.00010 0.00868 -0.00024 -0.00179 0.00043 206 3PY 0.00446 -0.00153 0.00032 -0.00087 0.02322 207 3PZ -0.00004 -0.00218 -0.00081 0.00261 0.00247 208 4XX 0.00031 -0.00015 -0.00001 0.00005 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 -0.00278 212 4XZ 0.00014 -0.00029 0.00005 0.00011 0.00032 213 4YZ 0.00020 0.00039 -0.00011 0.00085 -0.00742 214 23 H 1S 0.00191 0.00278 0.00032 0.00742 -0.01557 215 2S 0.00346 0.00276 0.00127 0.00699 -0.01614 181 182 183 184 185 181 2S 0.14180 182 20 C 1S -0.01359 2.05589 183 2S 0.02908 -0.06329 0.33144 184 2PX -0.00060 0.00145 -0.00654 0.31536 185 2PY -0.02822 -0.00371 -0.00249 0.00023 0.42636 186 2PZ 0.06260 -0.00187 0.00428 0.03445 -0.01290 187 3S 0.05035 -0.20671 0.31134 0.03956 0.02362 188 3PX -0.00333 -0.00760 0.00540 0.18699 -0.01261 189 3PY -0.00884 0.01132 0.00267 -0.01297 0.13326 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 0.01409 193 4ZZ 0.00042 -0.01373 -0.00741 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 -0.00339 -0.00232 -0.00916 197 21 H 1S -0.01718 -0.06319 0.11911 -0.03746 0.25553 198 2S -0.02273 -0.01549 0.02817 -0.04009 0.21196 199 22 C 1S 0.01418 0.01657 -0.03100 -0.01753 0.02190 200 2S -0.02437 -0.03335 0.05697 0.03332 -0.03995 201 2PX -0.01940 0.00868 -0.02157 0.16743 0.00473 202 2PY 0.07837 -0.02730 0.06164 0.02432 -0.01298 203 2PZ -0.04378 0.07318 -0.14672 -0.12723 0.08652 204 3S -0.06427 0.01490 0.00960 0.05451 -0.06967 205 3PX -0.00526 -0.00837 0.00934 0.11305 -0.00680 206 3PY 0.03486 -0.00690 0.01092 0.00523 0.02189 207 3PZ 0.00208 0.00324 -0.02791 -0.06878 0.03436 208 4XX 0.00174 0.00151 -0.00323 -0.00561 0.00179 209 4YY -0.00294 0.00247 -0.00596 -0.00241 0.01058 210 4ZZ 0.00346 -0.00512 0.00944 0.00453 -0.00880 211 4XY -0.00276 0.00109 -0.00186 0.00260 -0.00242 212 4XZ 0.00127 -0.00204 0.00373 -0.00963 -0.00365 213 4YZ -0.00699 0.00382 -0.00712 -0.00296 -0.00677 214 23 H 1S -0.01614 0.01288 -0.02707 -0.01156 -0.00321 215 2S -0.01856 0.01728 -0.02976 -0.02328 -0.01819 186 187 188 189 190 186 2PZ 0.40301 187 3S -0.00878 0.34778 188 3PX -0.02040 0.03015 0.12139 189 3PY -0.00871 -0.00644 -0.00859 0.05358 190 3PZ 0.17275 -0.01841 -0.04353 -0.00228 0.09381 191 4XX -0.00536 -0.01164 0.00305 -0.00109 -0.00264 192 4YY -0.01207 0.00568 -0.00241 0.00373 -0.00336 193 4ZZ 0.01397 -0.00883 -0.00081 -0.00123 0.00524 194 4XY -0.00270 -0.00286 -0.00275 -0.00209 -0.00053 195 4XZ -0.00145 0.00630 0.00243 -0.00207 -0.00147 196 4YZ -0.00965 -0.00459 -0.00011 -0.00199 -0.00318 197 21 H 1S -0.06626 0.13243 -0.02075 0.07892 -0.02010 198 2S -0.04174 0.04374 -0.02533 0.05813 -0.00185 199 22 C 1S -0.07271 -0.00805 -0.00162 0.00840 -0.01382 200 2S 0.15470 0.03681 0.00181 -0.02300 0.04138 201 2PX -0.15010 0.03772 0.11266 -0.02606 -0.08798 202 2PY 0.13054 0.02115 0.00965 0.02048 0.05888 203 2PZ -0.23920 -0.17109 -0.05887 0.04446 -0.08061 204 3S 0.06872 -0.02745 0.02338 -0.01649 -0.01121 205 3PX -0.06970 0.05225 0.07432 -0.02246 -0.04678 206 3PY 0.08375 -0.00132 -0.00450 0.01160 0.04186 207 3PZ -0.03613 -0.03129 -0.04115 0.01118 0.00106 208 4XX -0.00420 -0.00296 -0.00291 0.00116 0.00013 209 4YY -0.00786 -0.00533 -0.00115 0.00307 -0.00283 210 4ZZ 0.00062 0.00842 0.00352 -0.00213 -0.00085 211 4XY -0.00344 -0.00463 0.00266 0.00105 -0.00320 212 4XZ 0.00393 0.00073 -0.00582 -0.00033 0.00281 213 4YZ -0.00781 -0.01033 -0.00103 -0.00178 -0.00345 214 23 H 1S -0.04706 -0.05736 -0.00234 0.00890 -0.02464 215 2S -0.09170 -0.06037 -0.00209 0.00892 -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 0.00001 -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 0.00009 198 2S -0.00432 0.01181 -0.00640 -0.00496 -0.00057 199 22 C 1S 0.00228 0.00284 -0.00568 0.00077 -0.00186 200 2S -0.00497 -0.00623 0.01026 -0.00168 0.00350 201 2PX 0.00573 0.00309 -0.00767 -0.00297 0.01149 202 2PY -0.00165 -0.00950 0.00653 0.00226 0.00104 203 2PZ 0.00688 0.00628 -0.00120 0.00353 -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 -0.00158 -0.00245 0.00328 -0.00033 -0.00037 207 3PZ 0.00017 0.00254 0.00038 0.00088 -0.00232 208 4XX 0.00020 0.00019 -0.00031 0.00017 -0.00022 209 4YY 0.00009 0.00075 -0.00032 -0.00024 -0.00011 210 4ZZ -0.00019 -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 0.00409 0.00201 0.00209 215 2S 0.00267 -0.00061 0.00077 0.00289 0.00131 196 197 198 199 200 196 4YZ 0.00098 197 21 H 1S -0.00597 0.21366 198 2S -0.00524 0.15465 0.13512 199 22 C 1S 0.00340 0.01213 0.01192 2.05355 200 2S -0.00685 -0.02455 -0.02093 -0.06412 0.33134 201 2PX 0.00393 0.00529 0.01101 0.00138 -0.00479 202 2PY 0.00835 -0.03113 -0.05959 -0.00025 -0.00330 203 2PZ 0.00922 0.03317 0.04478 -0.00207 -0.00494 204 3S -0.00258 -0.06098 -0.06040 -0.16687 0.25603 205 3PX 0.00115 0.00425 0.00529 -0.00106 0.00297 206 3PY 0.00115 -0.00120 -0.00470 -0.00347 0.01855 207 3PZ 0.00150 0.02122 0.02507 -0.00653 0.02690 208 4XX 0.00030 0.00072 0.00094 -0.01193 -0.01398 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 -0.00124 0.00219 212 4XZ 0.00011 -0.00064 -0.00102 -0.00282 0.00611 213 4YZ 0.00055 -0.00543 -0.00283 -0.00254 0.00474 214 23 H 1S 0.00622 -0.01575 -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 0.34555 202 2PY -0.00295 0.41953 203 2PZ 0.03446 0.00855 0.40631 204 3S 0.01044 0.00885 0.05250 0.27303 205 3PX 0.21781 -0.00999 -0.02358 0.00204 0.14492 206 3PY -0.01865 0.13631 -0.00934 0.00011 -0.01391 207 3PZ -0.02979 0.00160 0.11704 0.01518 -0.03055 208 4XX -0.00287 0.00191 0.00174 -0.01043 -0.00211 209 4YY 0.00199 -0.01285 0.00772 -0.00158 0.00035 210 4ZZ 0.00399 0.01516 -0.00415 0.00070 0.00282 211 4XY -0.00355 0.00285 0.00719 0.00612 -0.00320 212 4XZ -0.00578 0.00645 0.00379 0.00392 -0.00371 213 4YZ 0.00781 0.00405 0.01409 0.00748 0.00314 214 23 H 1S 0.07935 0.15425 0.20134 0.13193 0.02732 215 2S 0.07026 0.12881 0.17557 0.05961 0.02335 206 207 208 209 210 206 3PY 0.05522 207 3PZ 0.00520 0.05198 208 4XX 0.00000 0.00010 0.00081 209 4YY -0.00349 0.00162 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 0.00042 0.00266 -0.00021 0.00011 0.00016 214 23 H 1S 0.04524 0.05714 -0.00407 -0.00137 0.00482 215 2S 0.02891 0.03769 -0.00068 -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 0.00524 0.00571 0.01296 0.21460 215 2S 0.00482 0.00392 0.01150 0.16044 0.14180 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05568 2 2S -0.01303 0.31926 3 2PX 0.00000 0.00000 0.35917 4 2PY 0.00000 0.00000 0.00000 0.42056 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.38844 6 3S -0.04301 0.27661 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.12383 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07432 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.11112 10 4XX -0.00101 -0.00763 0.00000 0.00000 0.00000 11 4YY -0.00130 -0.00138 0.00000 0.00000 0.00000 12 4ZZ -0.00124 -0.00297 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 -0.00051 0.00000 -0.00255 0.00000 17 2S -0.00051 0.01091 0.00000 0.03913 0.00000 18 2PX 0.00000 0.00000 0.01380 0.00000 0.00000 19 2PY -0.00255 0.03913 0.00000 0.09867 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00810 21 3S 0.00178 -0.00340 0.00000 0.03292 0.00000 22 3PX 0.00000 0.00000 0.02010 0.00000 0.00000 23 3PY 0.00047 0.00779 0.00000 0.02182 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.01162 25 4XX 0.00000 -0.00042 0.00000 -0.00103 0.00000 26 4YY -0.00024 0.00321 0.00000 0.00241 0.00000 27 4ZZ 0.00000 -0.00046 0.00000 -0.00122 0.00000 28 4XY 0.00000 0.00000 0.00198 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 0.00200 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00005 -0.00003 -0.00021 -0.00001 33 2PX 0.00000 -0.00005 -0.00002 -0.00018 -0.00002 34 2PY 0.00000 -0.00013 -0.00002 -0.00036 -0.00004 35 2PZ 0.00000 -0.00004 0.00001 -0.00005 -0.00001 36 3S -0.00001 -0.00052 0.00008 -0.00274 -0.00078 37 3PX 0.00000 -0.00020 0.00003 -0.00035 -0.00035 38 3PY -0.00018 0.00155 0.00023 0.00175 0.00010 39 3PZ 0.00002 -0.00044 -0.00013 -0.00014 0.00015 40 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 41 4YY 0.00000 0.00002 0.00001 0.00008 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00001 0.00001 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 0.00000 -0.00002 49 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 50 2PZ 0.00000 0.00000 -0.00003 -0.00001 0.00001 51 3S 0.00001 0.00003 -0.00039 -0.00008 -0.00011 52 3PX 0.00002 -0.00032 0.00027 -0.00004 -0.00044 53 3PY 0.00001 0.00008 0.00003 -0.00008 -0.00012 54 3PZ 0.00002 -0.00024 -0.00073 -0.00024 0.00033 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 -0.00007 -0.00016 0.00000 -0.00014 63 2PX 0.00000 -0.00014 -0.00015 0.00000 -0.00029 64 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 65 2PZ 0.00000 -0.00015 -0.00036 0.00000 -0.00020 66 3S 0.00010 -0.00259 -0.00360 0.00003 -0.00348 67 3PX 0.00007 -0.00159 -0.00076 0.00001 -0.00291 68 3PY 0.00000 -0.00002 -0.00006 -0.00039 -0.00005 69 3PZ 0.00006 -0.00146 -0.00285 0.00001 -0.00121 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00003 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00001 0.00002 0.00000 0.00002 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00030 -0.00077 -0.00045 -0.00057 77 2S -0.00030 0.00788 0.01434 0.00887 0.01088 78 2PX -0.00078 0.01385 0.00634 0.01400 0.02134 79 2PY -0.00041 0.00642 0.01359 0.00101 0.00845 80 2PZ -0.00053 0.00942 0.02139 0.00845 0.00194 81 3S 0.00054 0.00299 0.01336 0.00746 0.00960 82 3PX 0.00051 0.00086 0.00026 0.00173 0.00398 83 3PY 0.00051 0.00200 0.00515 0.00200 0.00286 84 3PZ 0.00034 -0.00069 0.00401 0.00096 0.00131 85 4XX -0.00003 0.00051 -0.00067 0.00091 0.00089 86 4YY 0.00001 -0.00027 -0.00008 -0.00037 -0.00030 87 4ZZ -0.00001 0.00004 0.00015 0.00028 -0.00043 88 4XY -0.00008 0.00110 0.00045 0.00012 0.00159 89 4XZ -0.00006 0.00079 0.00018 0.00081 -0.00009 90 4YZ -0.00007 0.00101 0.00190 0.00013 0.00015 91 7 H 1S -0.00201 0.03202 0.01166 0.02441 0.06302 92 2S -0.00093 0.01132 0.00749 0.01281 0.03868 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 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 -0.00003 0.00000 0.00000 145 2S 0.00000 -0.00005 -0.00048 -0.00011 0.00010 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00003 0.00021 0.00000 0.00002 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 0.00394 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 0.01077 0.00062 0.00627 189 3PY 0.00002 0.00011 0.00002 0.00059 0.00004 190 3PZ -0.00001 -0.00024 0.00603 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 -0.00101 -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 0.00011 205 3PX 0.00003 -0.00067 -0.00021 0.00000 -0.00045 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 6 7 8 9 10 6 3S 0.55232 7 3PX 0.00000 0.14605 8 3PY 0.00000 0.00000 0.07150 9 3PZ 0.00000 0.00000 0.00000 0.11604 10 4XX -0.00566 0.00000 0.00000 0.00000 0.00093 11 4YY -0.00391 0.00000 0.00000 0.00000 -0.00004 12 4ZZ -0.00169 0.00000 0.00000 0.00000 0.00007 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 0.00178 0.00000 0.00047 0.00000 0.00000 17 2S -0.00340 0.00000 0.00779 0.00000 -0.00042 18 2PX 0.00000 0.02010 0.00000 0.00000 0.00000 19 2PY 0.03292 0.00000 0.02182 0.00000 -0.00103 20 2PZ 0.00000 0.00000 0.00000 0.01162 0.00000 21 3S -0.10120 0.00000 -0.03113 0.00000 -0.00099 22 3PX 0.00000 0.03187 0.00000 0.00000 0.00000 23 3PY -0.03113 0.00000 0.00235 0.00000 -0.00090 24 3PZ 0.00000 0.00000 0.00000 0.01819 0.00000 25 4XX -0.00099 0.00000 -0.00090 0.00000 0.00002 26 4YY 0.00430 0.00000 0.00141 0.00000 -0.00005 27 4ZZ -0.00117 0.00000 -0.00126 0.00000 0.00001 28 4XY 0.00000 0.00133 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 0.00105 0.00000 31 3 C 1S -0.00006 0.00000 0.00000 -0.00002 0.00000 32 2S 0.00002 -0.00043 -0.00126 0.00019 0.00000 33 2PX -0.00031 0.00004 -0.00053 -0.00004 0.00000 34 2PY -0.00367 -0.00016 -0.00429 -0.00033 0.00000 35 2PZ -0.00065 -0.00022 -0.00011 0.00018 0.00000 36 3S 0.00235 0.00137 -0.00324 -0.00119 0.00002 37 3PX 0.00012 0.00023 0.00148 -0.00047 -0.00001 38 3PY 0.00663 0.00033 0.00251 0.00070 -0.00003 39 3PZ -0.00234 -0.00063 0.00042 0.00086 0.00002 40 4XX -0.00012 -0.00010 -0.00044 0.00008 0.00000 41 4YY 0.00025 0.00007 0.00055 -0.00005 0.00000 42 4ZZ -0.00011 0.00007 -0.00003 -0.00003 0.00000 43 4XY -0.00011 0.00000 -0.00022 0.00002 0.00000 44 4XZ -0.00002 0.00000 -0.00003 0.00000 0.00000 45 4YZ -0.00015 0.00009 -0.00012 0.00003 0.00000 46 4 C 1S 0.00000 0.00002 0.00000 0.00001 0.00000 47 2S 0.00019 -0.00041 0.00002 -0.00002 0.00000 48 2PX -0.00004 0.00024 0.00019 -0.00003 0.00000 49 2PY -0.00013 -0.00019 -0.00009 -0.00022 0.00000 50 2PZ -0.00004 -0.00056 -0.00015 0.00022 0.00000 51 3S 0.00483 -0.00212 0.00249 -0.00064 -0.00002 52 3PX -0.00107 0.00068 0.00060 -0.00044 -0.00002 53 3PY 0.00259 -0.00014 0.00003 -0.00054 -0.00002 54 3PZ -0.00162 -0.00207 -0.00084 0.00037 0.00003 55 4XX 0.00000 -0.00001 -0.00001 0.00003 0.00000 56 4YY 0.00000 -0.00002 0.00001 0.00000 0.00000 57 4ZZ -0.00001 0.00002 0.00000 -0.00001 0.00000 58 4XY -0.00004 -0.00002 0.00001 -0.00003 0.00000 59 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 60 4YZ -0.00003 -0.00003 0.00001 -0.00002 0.00000 61 5 C 1S 0.00013 0.00012 0.00000 0.00009 0.00000 62 2S -0.00287 -0.00238 0.00001 -0.00163 0.00000 63 2PX -0.00384 -0.00151 0.00004 -0.00210 0.00000 64 2PY -0.00003 -0.00001 -0.00041 -0.00001 0.00000 65 2PZ -0.00384 -0.00360 0.00004 -0.00144 0.00002 66 3S -0.02427 -0.00916 0.00001 -0.00688 0.00005 67 3PX -0.00849 -0.00104 0.00008 -0.00359 -0.00006 68 3PY -0.00001 -0.00011 -0.00287 -0.00008 0.00000 69 3PZ -0.00590 -0.00551 0.00007 -0.00112 0.00019 70 4XX 0.00013 0.00001 0.00000 0.00025 0.00000 71 4YY 0.00000 -0.00010 0.00000 -0.00007 0.00000 72 4ZZ 0.00007 0.00029 0.00000 0.00001 0.00000 73 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 74 4XZ 0.00004 0.00006 0.00000 0.00007 0.00000 75 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 76 6 C 1S 0.00111 -0.00015 -0.00113 0.00030 -0.00003 77 2S -0.00103 0.00615 0.00854 0.00211 0.00057 78 2PX 0.02073 -0.00081 0.00926 0.01084 -0.00034 79 2PY 0.01427 0.00896 0.00172 0.00722 0.00042 80 2PZ 0.01510 0.01426 0.00590 -0.00214 0.00051 81 3S -0.02454 0.00659 0.00600 0.00098 0.00109 82 3PX -0.00728 0.00260 0.00242 0.00091 -0.00041 83 3PY -0.00764 0.00197 0.00028 -0.00076 0.00022 84 3PZ -0.00176 0.00411 0.00012 0.00136 0.00062 85 4XX 0.00352 -0.00091 0.00019 0.00192 0.00000 86 4YY -0.00166 0.00012 -0.00035 -0.00078 -0.00003 87 4ZZ 0.00038 0.00090 -0.00023 -0.00054 -0.00003 88 4XY 0.00143 -0.00001 0.00000 0.00052 0.00000 89 4XZ 0.00044 0.00000 0.00009 0.00003 -0.00001 90 4YZ 0.00113 0.00061 0.00001 -0.00001 -0.00006 91 7 H 1S 0.04244 0.00670 0.00826 0.03508 -0.00082 92 2S -0.00198 0.00637 0.00644 0.03463 -0.00081 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 0.00000 0.00000 0.00000 -0.00001 0.00000 96 2S -0.00040 -0.00008 -0.00002 -0.00021 0.00000 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 -0.00078 0.00049 -0.00012 0.00000 119 3S 0.00042 0.00241 -0.00225 0.00156 0.00000 120 3PX -0.01955 0.00002 0.00291 -0.00449 -0.00005 121 3PY -0.00984 -0.00552 0.00208 -0.00293 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 -0.00156 -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 -0.00055 -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 -0.00057 -0.00056 0.00015 0.00013 0.00000 145 2S -0.00161 -0.00041 0.00006 0.00041 0.00002 146 15 H 1S 0.00002 0.00008 0.00000 0.00001 0.00000 147 2S 0.00059 0.00226 -0.00008 0.00029 -0.00001 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 -0.00212 -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 -0.00002 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 0.01104 0.00002 0.00774 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 0.00397 0.00031 188 3PX -0.00103 0.01408 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 0.00204 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 0.00021 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 11 12 13 14 15 11 4YY 0.00091 12 4ZZ -0.00008 0.00090 13 4XY 0.00000 0.00000 0.00093 14 4XZ 0.00000 0.00000 0.00000 0.00064 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00124 16 2 C 1S -0.00024 0.00000 0.00000 0.00000 0.00000 17 2S 0.00321 -0.00046 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00198 0.00000 0.00000 19 2PY 0.00241 -0.00122 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00200 21 3S 0.00430 -0.00117 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00133 0.00000 0.00000 23 3PY 0.00141 -0.00126 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00105 25 4XX -0.00005 0.00001 0.00000 0.00000 0.00000 26 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 27 4ZZ -0.00003 0.00002 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 -0.00008 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 -0.00024 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00001 0.00000 0.00001 33 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 34 2PY 0.00001 0.00000 0.00003 0.00000 0.00001 35 2PZ 0.00001 0.00000 0.00002 0.00000 0.00000 36 3S -0.00001 0.00005 0.00006 0.00000 0.00007 37 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 38 3PY 0.00004 -0.00008 0.00007 0.00000 0.00004 39 3PZ 0.00001 0.00001 0.00002 0.00000 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 0.00000 -0.00003 -0.00001 -0.00003 52 3PX -0.00001 0.00004 -0.00001 0.00001 -0.00002 53 3PY 0.00001 0.00000 0.00001 -0.00001 0.00001 54 3PZ 0.00000 -0.00002 -0.00002 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 0.00001 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00001 0.00000 0.00002 0.00000 66 3S -0.00001 0.00017 0.00000 0.00001 0.00000 67 3PX -0.00008 0.00032 0.00000 0.00006 0.00000 68 3PY 0.00000 0.00000 -0.00003 0.00000 -0.00003 69 3PZ -0.00008 0.00005 0.00000 0.00004 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 -0.00001 -0.00006 -0.00006 -0.00004 77 2S -0.00026 0.00003 0.00090 0.00091 0.00061 78 2PX -0.00022 -0.00004 0.00042 0.00032 0.00097 79 2PY -0.00028 0.00001 0.00001 0.00095 0.00001 80 2PZ -0.00013 -0.00031 0.00095 0.00007 0.00011 81 3S -0.00059 0.00013 0.00029 0.00028 0.00033 82 3PX 0.00021 0.00045 0.00000 0.00000 0.00016 83 3PY 0.00014 -0.00039 -0.00008 0.00009 -0.00007 84 3PZ -0.00012 -0.00032 0.00010 0.00001 0.00002 85 4XX -0.00007 0.00001 -0.00001 -0.00001 -0.00006 86 4YY 0.00002 -0.00003 0.00000 -0.00006 0.00000 87 4ZZ -0.00004 0.00001 -0.00007 0.00001 -0.00002 88 4XY -0.00001 -0.00007 0.00002 0.00000 0.00001 89 4XZ -0.00004 0.00001 0.00000 0.00003 -0.00001 90 4YZ -0.00001 -0.00001 -0.00001 0.00002 0.00001 91 7 H 1S -0.00082 0.00259 0.00051 0.00090 0.00280 92 2S -0.00120 0.00297 0.00012 0.00013 0.00056 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 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 -0.00001 0.00000 0.00000 0.00002 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 0.00001 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 0.00027 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 16 17 18 19 20 16 2 C 1S 2.05568 17 2S -0.01303 0.31926 18 2PX 0.00000 0.00000 0.35917 19 2PY 0.00000 0.00000 0.00000 0.42056 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.38844 21 3S -0.04301 0.27661 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.12383 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07432 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.11112 25 4XX -0.00101 -0.00763 0.00000 0.00000 0.00000 26 4YY -0.00130 -0.00138 0.00000 0.00000 0.00000 27 4ZZ -0.00124 -0.00297 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 -0.00077 -0.00045 -0.00057 32 2S -0.00030 0.00788 0.01434 0.00887 0.01088 33 2PX -0.00078 0.01385 0.00634 0.01400 0.02134 34 2PY -0.00041 0.00642 0.01359 0.00101 0.00845 35 2PZ -0.00053 0.00942 0.02139 0.00845 0.00194 36 3S 0.00054 0.00299 0.01337 0.00746 0.00960 37 3PX 0.00051 0.00086 0.00026 0.00173 0.00398 38 3PY 0.00051 0.00200 0.00515 0.00200 0.00286 39 3PZ 0.00034 -0.00069 0.00401 0.00096 0.00131 40 4XX -0.00003 0.00051 -0.00067 0.00091 0.00089 41 4YY 0.00001 -0.00027 -0.00008 -0.00037 -0.00030 42 4ZZ -0.00001 0.00004 0.00015 0.00028 -0.00043 43 4XY -0.00008 0.00110 0.00045 0.00012 0.00159 44 4XZ -0.00006 0.00079 0.00018 0.00081 -0.00009 45 4YZ -0.00007 0.00101 0.00190 0.00013 0.00015 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00007 -0.00016 0.00000 -0.00014 48 2PX 0.00000 -0.00014 -0.00015 0.00000 -0.00029 49 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 50 2PZ 0.00000 -0.00015 -0.00036 0.00000 -0.00020 51 3S 0.00010 -0.00259 -0.00360 0.00003 -0.00348 52 3PX 0.00007 -0.00159 -0.00076 0.00001 -0.00291 53 3PY 0.00000 -0.00002 -0.00006 -0.00039 -0.00005 54 3PZ 0.00006 -0.00146 -0.00285 0.00001 -0.00121 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00003 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00001 0.00002 0.00000 0.00002 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 0.00000 63 2PX 0.00000 -0.00001 0.00001 0.00000 -0.00002 64 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 65 2PZ 0.00000 0.00000 -0.00003 -0.00001 0.00001 66 3S 0.00001 0.00003 -0.00039 -0.00008 -0.00011 67 3PX 0.00002 -0.00032 0.00027 -0.00004 -0.00044 68 3PY 0.00001 0.00008 0.00003 -0.00008 -0.00012 69 3PZ 0.00002 -0.00024 -0.00073 -0.00024 0.00033 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 -0.00005 -0.00003 -0.00021 -0.00001 78 2PX 0.00000 -0.00005 -0.00002 -0.00018 -0.00002 79 2PY 0.00000 -0.00013 -0.00002 -0.00036 -0.00004 80 2PZ 0.00000 -0.00004 0.00001 -0.00005 -0.00001 81 3S -0.00001 -0.00052 0.00008 -0.00274 -0.00078 82 3PX 0.00000 -0.00020 0.00003 -0.00035 -0.00035 83 3PY -0.00018 0.00155 0.00023 0.00175 0.00010 84 3PZ 0.00002 -0.00044 -0.00013 -0.00014 0.00015 85 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 86 4YY 0.00000 0.00002 0.00001 0.00008 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 91 7 H 1S 0.00000 -0.00018 -0.00003 -0.00052 -0.00007 92 2S 0.00021 -0.00300 -0.00045 -0.00609 -0.00122 93 8 H 1S -0.00201 0.03202 0.01166 0.02441 0.06302 94 2S -0.00093 0.01132 0.00749 0.01281 0.03868 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00011 0.00022 0.00002 0.00019 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 -0.00003 0.00000 0.00000 145 2S 0.00000 -0.00005 -0.00048 -0.00011 0.00010 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00003 0.00021 0.00000 0.00002 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 -0.00042 0.01077 0.00062 0.00627 155 3PY 0.00002 0.00011 0.00002 0.00059 0.00004 156 3PZ -0.00001 -0.00024 0.00603 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 -0.00100 -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 0.00011 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 21 22 23 24 25 21 3S 0.55232 22 3PX 0.00000 0.14605 23 3PY 0.00000 0.00000 0.07150 24 3PZ 0.00000 0.00000 0.00000 0.11604 25 4XX -0.00566 0.00000 0.00000 0.00000 0.00093 26 4YY -0.00391 0.00000 0.00000 0.00000 -0.00004 27 4ZZ -0.00169 0.00000 0.00000 0.00000 0.00007 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 0.00111 -0.00015 -0.00113 0.00030 -0.00003 32 2S -0.00103 0.00615 0.00854 0.00211 0.00057 33 2PX 0.02073 -0.00081 0.00926 0.01084 -0.00034 34 2PY 0.01427 0.00896 0.00172 0.00722 0.00042 35 2PZ 0.01510 0.01426 0.00590 -0.00214 0.00051 36 3S -0.02454 0.00659 0.00600 0.00098 0.00109 37 3PX -0.00728 0.00260 0.00242 0.00091 -0.00041 38 3PY -0.00764 0.00197 0.00028 -0.00076 0.00022 39 3PZ -0.00176 0.00411 0.00012 0.00136 0.00062 40 4XX 0.00352 -0.00091 0.00019 0.00192 0.00000 41 4YY -0.00166 0.00012 -0.00035 -0.00078 -0.00003 42 4ZZ 0.00038 0.00090 -0.00023 -0.00054 -0.00003 43 4XY 0.00143 -0.00001 0.00000 0.00052 0.00000 44 4XZ 0.00044 0.00000 0.00009 0.00003 -0.00001 45 4YZ 0.00113 0.00061 0.00001 -0.00001 -0.00006 46 4 C 1S 0.00013 0.00012 0.00000 0.00009 0.00000 47 2S -0.00287 -0.00238 0.00001 -0.00163 0.00000 48 2PX -0.00384 -0.00151 0.00004 -0.00210 0.00000 49 2PY -0.00003 -0.00001 -0.00041 -0.00001 0.00000 50 2PZ -0.00384 -0.00360 0.00004 -0.00144 0.00002 51 3S -0.02427 -0.00916 0.00001 -0.00688 0.00005 52 3PX -0.00849 -0.00104 0.00008 -0.00359 -0.00006 53 3PY -0.00001 -0.00011 -0.00287 -0.00008 0.00000 54 3PZ -0.00590 -0.00551 0.00007 -0.00112 0.00019 55 4XX 0.00013 0.00001 0.00000 0.00025 0.00000 56 4YY 0.00000 -0.00010 0.00000 -0.00007 0.00000 57 4ZZ 0.00007 0.00029 0.00000 0.00001 0.00000 58 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 59 4XZ 0.00004 0.00006 0.00000 0.00007 0.00000 60 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 61 5 C 1S 0.00000 0.00002 0.00000 0.00001 0.00000 62 2S 0.00019 -0.00041 0.00002 -0.00002 0.00000 63 2PX -0.00004 0.00024 0.00019 -0.00003 0.00000 64 2PY -0.00013 -0.00019 -0.00009 -0.00022 0.00000 65 2PZ -0.00004 -0.00056 -0.00015 0.00022 0.00000 66 3S 0.00483 -0.00212 0.00249 -0.00064 -0.00002 67 3PX -0.00107 0.00068 0.00060 -0.00044 -0.00002 68 3PY 0.00259 -0.00014 0.00003 -0.00054 -0.00002 69 3PZ -0.00162 -0.00207 -0.00084 0.00037 0.00003 70 4XX 0.00000 -0.00001 -0.00001 0.00003 0.00000 71 4YY 0.00000 -0.00002 0.00001 0.00000 0.00000 72 4ZZ -0.00001 0.00002 0.00000 -0.00001 0.00000 73 4XY -0.00004 -0.00002 0.00001 -0.00003 0.00000 74 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 75 4YZ -0.00003 -0.00003 0.00001 -0.00002 0.00000 76 6 C 1S -0.00006 0.00000 0.00000 -0.00002 0.00000 77 2S 0.00002 -0.00043 -0.00126 0.00019 0.00000 78 2PX -0.00031 0.00004 -0.00053 -0.00004 0.00000 79 2PY -0.00367 -0.00016 -0.00429 -0.00033 0.00000 80 2PZ -0.00065 -0.00021 -0.00011 0.00018 0.00000 81 3S 0.00235 0.00137 -0.00324 -0.00119 0.00002 82 3PX 0.00012 0.00023 0.00148 -0.00047 -0.00001 83 3PY 0.00663 0.00033 0.00251 0.00070 -0.00003 84 3PZ -0.00234 -0.00063 0.00042 0.00086 0.00002 85 4XX -0.00012 -0.00010 -0.00044 0.00008 0.00000 86 4YY 0.00025 0.00007 0.00055 -0.00005 0.00000 87 4ZZ -0.00011 0.00007 -0.00003 -0.00003 0.00000 88 4XY -0.00011 0.00000 -0.00022 0.00002 0.00000 89 4XZ -0.00002 0.00000 -0.00003 0.00000 0.00000 90 4YZ -0.00015 0.00009 -0.00012 0.00003 0.00000 91 7 H 1S -0.00323 -0.00020 -0.00353 -0.00074 0.00000 92 2S -0.00506 -0.00093 -0.00598 -0.00293 0.00015 93 8 H 1S 0.04244 0.00670 0.00826 0.03508 -0.00082 94 2S -0.00198 0.00637 0.00644 0.03463 -0.00081 95 9 H 1S 0.00009 0.00012 0.00002 0.00009 0.00000 96 2S 0.00247 0.00208 0.00015 0.00158 0.00000 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 -0.00412 -0.00006 0.00124 -0.00127 0.00000 102 2PY -0.00297 -0.00210 0.00122 -0.00132 0.00000 103 2PZ -0.00189 -0.00078 0.00049 -0.00012 0.00000 104 3S 0.00042 0.00241 -0.00225 0.00156 0.00000 105 3PX -0.01955 0.00002 0.00291 -0.00449 -0.00005 106 3PY -0.00984 -0.00552 0.00208 -0.00293 0.00002 107 3PZ -0.00927 -0.00328 0.00139 -0.00075 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 0.00109 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 -0.00156 -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 -0.00055 -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 -0.00057 -0.00056 0.00015 0.00013 0.00000 145 2S -0.00161 -0.00041 0.00006 0.00041 0.00002 146 15 H 1S 0.00002 0.00008 0.00000 0.00001 0.00000 147 2S 0.00059 0.00226 -0.00008 0.00029 -0.00001 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 0.00073 0.00095 0.00010 0.00002 152 2PZ 0.00016 0.00590 0.00001 0.00028 0.00010 153 3S 0.00009 -0.00485 -0.00075 0.00397 0.00031 154 3PX -0.00103 0.01408 0.00033 0.01234 0.00020 155 3PY -0.00028 -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 0.00204 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 0.00021 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 -0.00247 -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 -0.00078 -0.00001 205 3PX -0.00150 -0.00115 0.00087 -0.00469 0.00000 206 3PY -0.00044 -0.00089 -0.00005 -0.00111 -0.00001 207 3PZ -0.00212 -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 -0.00002 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 26 27 28 29 30 26 4YY 0.00091 27 4ZZ -0.00008 0.00090 28 4XY 0.00000 0.00000 0.00093 29 4XZ 0.00000 0.00000 0.00000 0.00064 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00124 31 3 C 1S 0.00000 -0.00001 -0.00006 -0.00006 -0.00004 32 2S -0.00026 0.00003 0.00090 0.00091 0.00061 33 2PX -0.00022 -0.00004 0.00042 0.00032 0.00097 34 2PY -0.00028 0.00001 0.00001 0.00095 0.00001 35 2PZ -0.00013 -0.00031 0.00095 0.00007 0.00011 36 3S -0.00059 0.00013 0.00029 0.00028 0.00033 37 3PX 0.00021 0.00045 0.00000 0.00000 0.00016 38 3PY 0.00014 -0.00039 -0.00008 0.00009 -0.00007 39 3PZ -0.00012 -0.00032 0.00010 0.00001 0.00002 40 4XX -0.00007 0.00001 -0.00001 -0.00001 -0.00006 41 4YY 0.00002 -0.00003 0.00000 -0.00006 0.00000 42 4ZZ -0.00004 0.00001 -0.00007 0.00001 -0.00002 43 4XY -0.00001 -0.00007 0.00002 0.00000 0.00001 44 4XZ -0.00004 0.00001 0.00000 0.00003 -0.00001 45 4YZ -0.00001 -0.00001 -0.00001 0.00002 0.00001 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00001 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00001 0.00000 0.00002 0.00000 51 3S -0.00001 0.00017 0.00000 0.00001 0.00000 52 3PX -0.00008 0.00032 0.00000 0.00006 0.00000 53 3PY 0.00000 0.00000 -0.00003 0.00000 -0.00003 54 3PZ -0.00008 0.00005 0.00000 0.00004 0.00000 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 0.00000 0.00000 -0.00003 -0.00001 -0.00003 67 3PX -0.00001 0.00004 -0.00001 0.00001 -0.00002 68 3PY 0.00001 0.00000 0.00001 -0.00001 0.00001 69 3PZ 0.00000 -0.00002 -0.00002 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 0.00000 0.00000 0.00001 0.00000 0.00001 78 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 79 2PY 0.00001 0.00000 0.00003 0.00000 0.00001 80 2PZ 0.00001 0.00000 0.00002 0.00000 0.00000 81 3S -0.00001 0.00005 0.00006 0.00000 0.00007 82 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 83 3PY 0.00004 -0.00008 0.00007 0.00000 0.00004 84 3PZ 0.00001 0.00001 0.00002 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 0.00002 0.00000 0.00001 0.00000 0.00007 92 2S -0.00011 0.00009 0.00006 0.00000 0.00029 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 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 -0.00001 0.00000 0.00000 0.00002 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 0.00001 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 31 32 33 34 35 31 3 C 1S 2.05392 32 2S -0.01557 0.35893 33 2PX 0.00000 0.00000 0.35087 34 2PY 0.00000 0.00000 0.00000 0.42510 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.35653 36 3S -0.02739 0.20451 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.05640 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 -0.00515 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.05810 40 4XX -0.00093 -0.00981 0.00000 0.00000 0.00000 41 4YY -0.00120 -0.00270 0.00000 0.00000 0.00000 42 4ZZ -0.00093 -0.00970 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 -0.00026 -0.00049 -0.00043 -0.00073 47 2S -0.00028 0.00716 0.00885 0.00704 0.01360 48 2PX -0.00050 0.00950 0.00117 0.00852 0.01984 49 2PY -0.00046 0.00910 0.00882 0.00174 0.01422 50 2PZ -0.00073 0.01366 0.01915 0.01408 0.00749 51 3S 0.00113 -0.00317 0.01366 0.01452 0.01730 52 3PX 0.00035 0.00128 -0.00115 0.00654 0.01085 53 3PY -0.00108 0.00732 0.00670 0.00178 0.01040 54 3PZ 0.00024 0.00296 0.01049 0.01010 -0.00073 55 4XX -0.00001 0.00014 -0.00024 0.00012 0.00012 56 4YY 0.00000 -0.00021 -0.00008 -0.00032 -0.00011 57 4ZZ -0.00003 0.00057 0.00039 0.00045 -0.00040 58 4XY -0.00004 0.00062 0.00011 0.00004 0.00094 59 4XZ -0.00005 0.00076 0.00000 0.00088 0.00023 60 4YZ -0.00006 0.00093 0.00095 0.00004 0.00048 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00006 -0.00004 -0.00016 -0.00006 63 2PX 0.00000 -0.00002 -0.00001 -0.00006 0.00001 64 2PY 0.00000 -0.00025 -0.00009 -0.00044 -0.00018 65 2PZ 0.00000 -0.00003 0.00001 -0.00003 -0.00003 66 3S -0.00007 0.00016 -0.00024 -0.00428 0.00002 67 3PX -0.00003 0.00015 0.00011 -0.00045 -0.00001 68 3PY 0.00001 -0.00151 -0.00011 -0.00440 0.00002 69 3PZ -0.00003 0.00000 -0.00010 -0.00025 0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00001 0.00001 0.00002 0.00001 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00001 0.00000 0.00002 0.00002 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00001 0.00002 0.00004 0.00001 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 -0.00002 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 -0.00002 0.00000 -0.00006 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00003 -0.00046 0.00000 -0.00063 0.00000 82 3PX 0.00000 0.00000 -0.00009 0.00000 0.00000 83 3PY 0.00010 -0.00131 0.00000 0.00073 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00008 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 0.00009 0.00010 0.00012 0.00008 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 -0.00015 -0.00028 -0.00002 -0.00036 96 2S 0.00025 -0.00361 -0.00429 0.00010 -0.00534 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 0.01506 0.00409 -0.00047 102 2PY -0.00177 0.04211 0.00403 0.09889 0.00215 103 2PZ -0.00002 0.00037 -0.00048 0.00208 0.01544 104 3S -0.00099 -0.01111 -0.00016 0.00932 -0.00011 105 3PX -0.00015 0.00107 0.02910 0.00355 -0.00053 106 3PY -0.00836 0.06337 0.00338 0.05265 0.00189 107 3PZ -0.00007 0.00056 -0.00054 0.00187 0.02852 108 4XX 0.00002 -0.00068 0.00005 -0.00080 -0.00002 109 4YY -0.00079 0.00759 0.00075 0.00902 0.00040 110 4ZZ 0.00001 -0.00070 -0.00002 -0.00090 0.00002 111 4XY -0.00004 0.00024 0.00379 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 0.00001 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 -0.00002 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 36 37 38 39 40 36 3S 0.22046 37 3PX 0.00000 0.05210 38 3PY 0.00000 0.00000 0.03644 39 3PZ 0.00000 0.00000 0.00000 0.05181 40 4XX -0.00462 0.00000 0.00000 0.00000 0.00204 41 4YY -0.00426 0.00000 0.00000 0.00000 -0.00034 42 4ZZ -0.00435 0.00000 0.00000 0.00000 0.00030 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 0.00008 0.00026 -0.00016 0.00020 0.00000 47 2S 0.00629 -0.00061 0.00445 0.00121 -0.00002 48 2PX 0.00958 0.00159 0.00363 0.00433 -0.00035 49 2PY 0.00841 0.00158 0.00200 0.00187 0.00019 50 2PZ 0.01501 0.00298 0.00641 0.00009 0.00008 51 3S -0.00860 -0.00054 -0.00371 -0.00732 0.00035 52 3PX 0.00231 0.00276 0.00017 0.00236 -0.00060 53 3PY 0.00501 0.00051 0.00063 0.00281 -0.00020 54 3PZ 0.00612 0.00292 0.00181 0.00150 0.00099 55 4XX 0.00030 -0.00029 -0.00027 0.00048 0.00000 56 4YY -0.00055 -0.00015 0.00012 0.00021 -0.00003 57 4ZZ 0.00077 0.00059 0.00003 -0.00044 0.00001 58 4XY 0.00035 0.00002 -0.00007 0.00016 -0.00001 59 4XZ 0.00024 0.00000 0.00003 0.00000 0.00000 60 4YZ 0.00044 0.00011 -0.00010 0.00000 -0.00009 61 5 C 1S 0.00001 0.00002 -0.00015 0.00000 0.00000 62 2S -0.00076 -0.00036 0.00164 -0.00018 0.00000 63 2PX -0.00082 0.00020 -0.00036 -0.00029 0.00000 64 2PY -0.00264 -0.00051 0.00265 -0.00039 -0.00001 65 2PZ -0.00074 -0.00032 -0.00009 0.00006 0.00001 66 3S 0.00047 -0.00163 0.00462 0.00045 -0.00008 67 3PX -0.00098 0.00056 -0.00023 -0.00055 -0.00008 68 3PY -0.00446 -0.00003 0.00244 0.00164 -0.00006 69 3PZ -0.00025 -0.00086 0.00034 0.00025 0.00013 70 4XX 0.00003 0.00001 -0.00008 0.00002 0.00000 71 4YY 0.00002 0.00000 0.00007 0.00001 0.00000 72 4ZZ 0.00005 0.00002 -0.00006 0.00000 0.00000 73 4XY 0.00008 0.00000 0.00007 0.00004 0.00000 74 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00011 0.00003 0.00010 0.00000 0.00000 76 6 C 1S 0.00003 0.00000 0.00010 0.00000 0.00000 77 2S -0.00046 0.00000 -0.00131 0.00000 0.00000 78 2PX 0.00000 -0.00009 0.00000 0.00000 0.00000 79 2PY -0.00063 0.00000 0.00073 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 81 3S -0.00335 0.00000 -0.00472 0.00000 0.00001 82 3PX 0.00000 0.00018 0.00000 0.00000 0.00000 83 3PY -0.00472 0.00000 -0.00123 0.00000 0.00003 84 3PZ 0.00000 0.00000 0.00000 0.00027 0.00000 85 4XX 0.00001 0.00000 0.00003 0.00000 0.00000 86 4YY -0.00002 0.00000 0.00008 0.00000 0.00000 87 4ZZ 0.00002 0.00000 0.00002 0.00000 0.00000 88 4XY 0.00000 -0.00002 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 -0.00003 0.00000 91 7 H 1S 0.00008 0.00004 0.00000 0.00002 0.00000 92 2S 0.00099 0.00045 -0.00012 0.00030 0.00000 93 8 H 1S -0.00246 -0.00089 -0.00043 0.00003 0.00001 94 2S -0.00885 -0.00224 -0.00086 0.00093 0.00009 95 9 H 1S -0.00263 0.00005 -0.00052 -0.00111 0.00002 96 2S -0.01118 0.00051 -0.00117 -0.00275 0.00043 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 -0.01278 -0.00001 -0.00063 101 2PX 0.00081 0.02075 -0.00030 -0.00013 0.00021 102 2PY 0.02242 0.00035 -0.00514 0.00029 -0.00137 103 2PZ 0.00017 -0.00013 -0.00005 0.02061 0.00000 104 3S -0.07474 -0.00054 -0.01898 -0.00026 -0.00225 105 3PX 0.00173 0.04686 -0.00053 -0.00020 -0.00017 106 3PY 0.04166 0.00055 -0.00168 0.00042 -0.00386 107 3PZ 0.00026 -0.00020 -0.00008 0.04604 0.00002 108 4XX -0.00042 -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 0.00003 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 0.00009 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 0.00001 0.00000 0.00000 0.00000 145 2S 0.00009 0.00014 0.00009 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 -0.00001 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 -0.00027 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 -0.00069 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 -0.00113 -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 -0.00001 -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 41 42 43 44 45 41 4YY 0.00224 42 4ZZ -0.00029 0.00197 43 4XY 0.00000 0.00000 0.00342 44 4XZ 0.00000 0.00000 0.00000 0.00061 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00360 46 4 C 1S 0.00001 -0.00003 -0.00006 -0.00005 -0.00008 47 2S -0.00023 0.00060 0.00101 0.00074 0.00129 48 2PX -0.00010 0.00073 0.00013 -0.00007 0.00161 49 2PY -0.00042 0.00095 0.00020 0.00076 0.00021 50 2PZ -0.00019 -0.00054 0.00179 0.00015 0.00059 51 3S -0.00105 0.00290 0.00108 0.00032 0.00148 52 3PX -0.00025 0.00159 -0.00003 0.00004 0.00047 53 3PY -0.00026 0.00007 -0.00001 0.00009 0.00000 54 3PZ -0.00029 -0.00044 0.00049 0.00000 -0.00001 55 4XX -0.00002 0.00001 -0.00001 0.00000 -0.00005 56 4YY 0.00002 -0.00006 -0.00001 -0.00003 -0.00001 57 4ZZ -0.00005 0.00000 -0.00004 0.00001 -0.00001 58 4XY 0.00000 -0.00009 0.00002 0.00001 -0.00001 59 4XZ -0.00007 0.00002 0.00001 0.00003 0.00001 60 4YZ 0.00000 -0.00001 -0.00002 -0.00002 0.00003 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00002 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00001 -0.00001 0.00000 0.00002 64 2PY 0.00009 -0.00001 0.00001 0.00000 0.00001 65 2PZ 0.00001 0.00000 0.00002 0.00000 -0.00001 66 3S 0.00025 -0.00019 -0.00011 -0.00002 -0.00014 67 3PX -0.00004 0.00015 0.00005 0.00001 0.00009 68 3PY 0.00042 -0.00027 -0.00014 -0.00001 -0.00024 69 3PZ 0.00002 -0.00012 0.00013 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 -0.00002 0.00002 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 83 3PY 0.00008 0.00002 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 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 -0.00001 0.00000 0.00001 0.00000 0.00000 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 -0.00001 0.00004 0.00000 0.00004 0.00000 96 2S -0.00022 0.00034 -0.00004 0.00013 -0.00005 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 0.00000 0.00613 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 0.00018 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 0.00006 -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 46 47 48 49 50 46 4 C 1S 2.05475 47 2S -0.01447 0.33271 48 2PX 0.00000 0.00000 0.36087 49 2PY 0.00000 0.00000 0.00000 0.44126 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.37298 51 3S -0.03653 0.25912 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10876 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.06838 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.10538 55 4XX -0.00118 -0.00616 0.00000 0.00000 0.00000 56 4YY -0.00144 -0.00041 0.00000 0.00000 0.00000 57 4ZZ -0.00126 -0.00468 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 -0.00076 0.00000 -0.00366 0.00000 62 2S -0.00076 0.01418 0.00000 0.04863 0.00000 63 2PX 0.00000 0.00000 0.02111 0.00000 0.00000 64 2PY -0.00366 0.04863 0.00000 0.10806 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.01699 66 3S 0.00141 -0.00485 0.00000 0.03376 0.00000 67 3PX 0.00000 0.00000 0.02883 0.00000 0.00000 68 3PY -0.00039 0.01070 0.00000 0.01596 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.02321 70 4XX 0.00000 -0.00055 0.00000 -0.00136 0.00000 71 4YY -0.00031 0.00347 0.00000 0.00224 0.00000 72 4ZZ 0.00000 -0.00059 0.00000 -0.00143 0.00000 73 4XY 0.00000 0.00000 0.00253 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 0.00257 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00006 -0.00002 -0.00025 -0.00003 78 2PX 0.00000 -0.00004 -0.00001 -0.00009 0.00001 79 2PY 0.00000 -0.00016 -0.00006 -0.00044 -0.00003 80 2PZ 0.00000 -0.00006 0.00001 -0.00018 -0.00003 81 3S 0.00001 -0.00076 -0.00082 -0.00264 -0.00074 82 3PX 0.00002 -0.00036 0.00020 -0.00051 -0.00032 83 3PY -0.00015 0.00164 -0.00036 0.00265 -0.00009 84 3PZ 0.00000 -0.00018 -0.00029 -0.00039 0.00006 85 4XX 0.00000 0.00000 0.00000 -0.00001 0.00001 86 4YY 0.00000 0.00002 0.00000 0.00009 0.00001 87 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 88 4XY 0.00000 0.00000 -0.00001 0.00001 0.00002 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00002 0.00001 -0.00001 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 0.00001 0.00000 -0.00002 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 -0.00203 0.03238 0.03259 0.02845 0.03884 96 2S -0.00099 0.01091 0.02044 0.01519 0.02409 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 -0.00080 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 51 52 53 54 55 51 3S 0.46608 52 3PX 0.00000 0.11495 53 3PY 0.00000 0.00000 0.06208 54 3PZ 0.00000 0.00000 0.00000 0.10581 55 4XX -0.00366 0.00000 0.00000 0.00000 0.00068 56 4YY -0.00280 0.00000 0.00000 0.00000 -0.00004 57 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00014 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 0.00141 0.00000 -0.00039 0.00000 0.00000 62 2S -0.00485 0.00000 0.01070 0.00000 -0.00055 63 2PX 0.00000 0.02883 0.00000 0.00000 0.00000 64 2PY 0.03376 0.00000 0.01596 0.00000 -0.00136 65 2PZ 0.00000 0.00000 0.00000 0.02321 0.00000 66 3S -0.09995 0.00000 -0.02371 0.00000 -0.00095 67 3PX 0.00000 0.04503 0.00000 0.00000 0.00000 68 3PY -0.02371 0.00000 0.00037 0.00000 -0.00101 69 3PZ 0.00000 0.00000 0.00000 0.03615 0.00000 70 4XX -0.00095 0.00000 -0.00101 0.00000 0.00003 71 4YY 0.00386 0.00000 0.00099 0.00000 -0.00005 72 4ZZ -0.00125 0.00000 -0.00120 0.00000 0.00001 73 4XY 0.00000 0.00121 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 0.00117 0.00000 76 6 C 1S -0.00007 -0.00003 0.00001 -0.00003 0.00000 77 2S 0.00016 0.00015 -0.00151 0.00000 0.00000 78 2PX -0.00024 0.00011 -0.00011 -0.00010 0.00000 79 2PY -0.00428 -0.00045 -0.00440 -0.00025 0.00000 80 2PZ 0.00002 -0.00001 0.00002 0.00001 0.00000 81 3S 0.00047 -0.00098 -0.00446 -0.00025 0.00003 82 3PX -0.00163 0.00056 -0.00003 -0.00086 0.00001 83 3PY 0.00462 -0.00023 0.00244 0.00034 -0.00008 84 3PZ 0.00045 -0.00055 0.00164 0.00025 0.00002 85 4XX -0.00008 -0.00008 -0.00006 0.00013 0.00000 86 4YY 0.00025 -0.00004 0.00042 0.00002 0.00000 87 4ZZ -0.00019 0.00015 -0.00027 -0.00012 0.00000 88 4XY -0.00011 0.00005 -0.00014 0.00013 0.00000 89 4XZ -0.00002 0.00001 -0.00001 0.00000 0.00000 90 4YZ -0.00014 0.00009 -0.00024 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00001 -0.00001 0.00000 92 2S -0.00028 0.00006 -0.00002 -0.00026 0.00000 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 0.04278 0.01618 0.00929 0.01971 0.00021 96 2S 0.00483 0.01601 0.00680 0.01825 0.00096 97 10 H 1S -0.00358 -0.00029 -0.00303 -0.00051 0.00000 98 2S -0.00543 -0.00154 -0.00623 -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 -0.00154 0.00005 0.00038 -0.00038 0.00000 102 2PY -0.00352 -0.00128 0.00166 -0.00272 0.00000 103 2PZ -0.00400 -0.00075 0.00162 -0.00008 0.00000 104 3S 0.00072 0.00173 -0.00223 0.00285 0.00000 105 3PX -0.00767 0.00022 0.00101 -0.00176 -0.00001 106 3PY -0.01264 -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 0.00139 -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 -0.00001 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 0.00005 -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 -0.00132 -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 0.00001 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 -0.00015 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 0.00000 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 56 57 58 59 60 56 4YY 0.00077 57 4ZZ -0.00007 0.00072 58 4XY 0.00000 0.00000 0.00111 59 4XZ 0.00000 0.00000 0.00000 0.00067 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00126 61 5 C 1S -0.00031 0.00000 0.00000 0.00000 0.00000 62 2S 0.00347 -0.00059 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00253 0.00000 0.00000 64 2PY 0.00224 -0.00143 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00257 66 3S 0.00386 -0.00125 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00121 0.00000 0.00000 68 3PY 0.00099 -0.00120 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00117 70 4XX -0.00005 0.00001 0.00000 0.00000 0.00000 71 4YY 0.00003 -0.00004 0.00000 0.00000 0.00000 72 4ZZ -0.00004 0.00003 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00012 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 -0.00018 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00001 0.00000 0.00001 0.00000 0.00001 78 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 79 2PY 0.00002 0.00000 0.00002 0.00000 0.00004 80 2PZ 0.00001 0.00000 0.00002 0.00000 0.00001 81 3S 0.00002 0.00005 0.00008 0.00001 0.00011 82 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 83 3PY 0.00007 -0.00006 0.00007 0.00000 0.00010 84 3PZ 0.00001 0.00000 0.00004 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 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S -0.00060 0.00043 0.00166 0.00174 0.00206 96 2S -0.00097 0.00106 0.00035 0.00026 0.00044 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 61 62 63 64 65 61 5 C 1S 2.05475 62 2S -0.01447 0.33271 63 2PX 0.00000 0.00000 0.36087 64 2PY 0.00000 0.00000 0.00000 0.44126 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.37298 66 3S -0.03653 0.25912 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.10876 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.06838 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.10538 70 4XX -0.00118 -0.00616 0.00000 0.00000 0.00000 71 4YY -0.00144 -0.00041 0.00000 0.00000 0.00000 72 4ZZ -0.00126 -0.00468 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 -0.00028 -0.00050 -0.00046 -0.00073 77 2S -0.00026 0.00716 0.00950 0.00910 0.01366 78 2PX -0.00049 0.00885 0.00117 0.00882 0.01915 79 2PY -0.00043 0.00704 0.00852 0.00174 0.01408 80 2PZ -0.00073 0.01360 0.01984 0.01422 0.00749 81 3S 0.00008 0.00629 0.00958 0.00841 0.01501 82 3PX 0.00026 -0.00061 0.00159 0.00158 0.00298 83 3PY -0.00016 0.00445 0.00363 0.00200 0.00641 84 3PZ 0.00020 0.00121 0.00433 0.00187 0.00009 85 4XX 0.00000 -0.00002 -0.00035 0.00019 0.00008 86 4YY 0.00001 -0.00023 -0.00010 -0.00042 -0.00019 87 4ZZ -0.00003 0.00060 0.00073 0.00095 -0.00054 88 4XY -0.00006 0.00101 0.00013 0.00020 0.00179 89 4XZ -0.00005 0.00074 -0.00007 0.00076 0.00015 90 4YZ -0.00008 0.00129 0.00161 0.00021 0.00059 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00012 0.00021 0.00003 0.00020 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 -0.00021 -0.00005 -0.00064 -0.00008 96 2S 0.00021 -0.00302 -0.00085 -0.00723 -0.00121 97 10 H 1S -0.00203 0.03238 0.03259 0.02845 0.03884 98 2S -0.00099 0.01091 0.02044 0.01519 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 66 67 68 69 70 66 3S 0.46608 67 3PX 0.00000 0.11495 68 3PY 0.00000 0.00000 0.06208 69 3PZ 0.00000 0.00000 0.00000 0.10581 70 4XX -0.00366 0.00000 0.00000 0.00000 0.00068 71 4YY -0.00280 0.00000 0.00000 0.00000 -0.00004 72 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00014 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 0.00113 0.00035 -0.00108 0.00024 -0.00001 77 2S -0.00317 0.00128 0.00732 0.00296 0.00014 78 2PX 0.01366 -0.00115 0.00670 0.01049 -0.00024 79 2PY 0.01452 0.00654 0.00178 0.01010 0.00012 80 2PZ 0.01730 0.01085 0.01040 -0.00073 0.00012 81 3S -0.00860 0.00232 0.00501 0.00612 0.00030 82 3PX -0.00054 0.00276 0.00051 0.00292 -0.00029 83 3PY -0.00371 0.00017 0.00063 0.00181 -0.00027 84 3PZ -0.00732 0.00236 0.00281 0.00150 0.00048 85 4XX 0.00035 -0.00060 -0.00020 0.00099 0.00000 86 4YY -0.00105 -0.00025 -0.00026 -0.00029 -0.00002 87 4ZZ 0.00290 0.00159 0.00007 -0.00044 0.00001 88 4XY 0.00108 -0.00003 -0.00001 0.00049 -0.00001 89 4XZ 0.00032 0.00004 0.00009 0.00000 0.00000 90 4YZ 0.00148 0.00047 0.00000 -0.00001 -0.00005 91 7 H 1S 0.00008 0.00009 0.00003 0.00010 0.00000 92 2S 0.00231 0.00172 0.00023 0.00147 -0.00001 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 -0.00358 -0.00029 -0.00303 -0.00051 0.00000 96 2S -0.00543 -0.00154 -0.00623 -0.00201 0.00012 97 10 H 1S 0.04278 0.01618 0.00929 0.01971 0.00021 98 2S 0.00483 0.01601 0.00680 0.01825 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 0.00144 -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 -0.00128 0.00166 -0.00272 0.00000 118 2PZ -0.00400 -0.00075 0.00162 -0.00008 0.00000 119 3S 0.00072 0.00173 -0.00223 0.00285 0.00000 120 3PX -0.00767 0.00022 0.00101 -0.00176 -0.00001 121 3PY -0.01264 -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 0.00003 -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 -0.00001 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 -0.00003 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 0.00000 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 -0.00132 -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 71 72 73 74 75 71 4YY 0.00077 72 4ZZ -0.00007 0.00072 73 4XY 0.00000 0.00000 0.00111 74 4XZ 0.00000 0.00000 0.00000 0.00067 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00126 76 6 C 1S 0.00000 -0.00003 -0.00004 -0.00005 -0.00006 77 2S -0.00021 0.00057 0.00062 0.00076 0.00093 78 2PX -0.00008 0.00039 0.00011 0.00000 0.00095 79 2PY -0.00032 0.00045 0.00004 0.00088 0.00004 80 2PZ -0.00011 -0.00040 0.00094 0.00023 0.00048 81 3S -0.00055 0.00077 0.00035 0.00024 0.00044 82 3PX -0.00015 0.00059 0.00002 0.00000 0.00011 83 3PY 0.00012 0.00003 -0.00007 0.00003 -0.00010 84 3PZ 0.00021 -0.00044 0.00016 0.00000 0.00000 85 4XX -0.00003 0.00001 -0.00001 0.00000 -0.00009 86 4YY 0.00002 -0.00005 0.00000 -0.00007 0.00000 87 4ZZ -0.00006 0.00000 -0.00009 0.00002 -0.00001 88 4XY -0.00001 -0.00004 0.00002 0.00001 -0.00002 89 4XZ -0.00003 0.00001 0.00001 0.00003 -0.00002 90 4YZ -0.00001 -0.00001 -0.00001 0.00001 0.00003 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 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00002 0.00000 0.00005 0.00000 0.00005 96 2S -0.00012 0.00014 0.00019 0.00000 0.00022 97 10 H 1S -0.00060 0.00043 0.00166 0.00174 0.00206 98 2S -0.00096 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 76 77 78 79 80 76 6 C 1S 2.05392 77 2S -0.01557 0.35893 78 2PX 0.00000 0.00000 0.35087 79 2PY 0.00000 0.00000 0.00000 0.42510 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.35653 81 3S -0.02739 0.20451 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.05640 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 -0.00515 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.05810 85 4XX -0.00093 -0.00981 0.00000 0.00000 0.00000 86 4YY -0.00120 -0.00270 0.00000 0.00000 0.00000 87 4ZZ -0.00093 -0.00970 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 -0.00016 -0.00033 -0.00002 -0.00031 92 2S 0.00025 -0.00378 -0.00439 0.00010 -0.00468 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 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00009 0.00008 0.00015 0.00013 97 10 H 1S 0.00000 -0.00015 -0.00028 -0.00002 -0.00036 98 2S 0.00025 -0.00361 -0.00429 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 0.02845 0.00027 116 2PX -0.00003 0.00074 0.01506 0.00409 -0.00047 117 2PY -0.00177 0.04211 0.00403 0.09889 0.00215 118 2PZ -0.00002 0.00037 -0.00048 0.00208 0.01544 119 3S -0.00099 -0.01111 -0.00016 0.00932 -0.00011 120 3PX -0.00015 0.00107 0.02910 0.00355 -0.00053 121 3PY -0.00836 0.06337 0.00338 0.05265 0.00189 122 3PZ -0.00007 0.00056 -0.00054 0.00187 0.02852 123 4XX 0.00002 -0.00068 0.00005 -0.00080 -0.00002 124 4YY -0.00079 0.00759 0.00075 0.00903 0.00040 125 4ZZ 0.00001 -0.00070 -0.00002 -0.00090 0.00002 126 4XY -0.00004 0.00024 0.00379 0.00061 -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 0.00001 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 -0.00002 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 -0.00053 -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 81 82 83 84 85 81 3S 0.22046 82 3PX 0.00000 0.05210 83 3PY 0.00000 0.00000 0.03644 84 3PZ 0.00000 0.00000 0.00000 0.05181 85 4XX -0.00462 0.00000 0.00000 0.00000 0.00204 86 4YY -0.00426 0.00000 0.00000 0.00000 -0.00034 87 4ZZ -0.00435 0.00000 0.00000 0.00000 0.00030 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 -0.00246 -0.00089 -0.00043 0.00003 0.00001 92 2S -0.00885 -0.00224 -0.00086 0.00093 0.00009 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 0.00009 0.00004 0.00003 0.00005 0.00000 96 2S 0.00131 0.00038 0.00031 0.00057 0.00000 97 10 H 1S -0.00263 0.00005 -0.00052 -0.00111 0.00002 98 2S -0.01118 0.00051 -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 0.02242 0.00035 -0.00514 0.00029 -0.00137 118 2PZ 0.00017 -0.00013 -0.00005 0.02061 0.00000 119 3S -0.07474 -0.00054 -0.01898 -0.00026 -0.00225 120 3PX 0.00173 0.04686 -0.00053 -0.00020 -0.00017 121 3PY 0.04167 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 0.00003 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 -0.00005 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 0.00001 0.00000 0.00000 0.00000 145 2S 0.00009 0.00014 0.00009 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 -0.00001 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 -0.00001 -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 -0.00028 -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 86 87 88 89 90 86 4YY 0.00224 87 4ZZ -0.00029 0.00197 88 4XY 0.00000 0.00000 0.00342 89 4XZ 0.00000 0.00000 0.00000 0.00061 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00360 91 7 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 92 2S -0.00018 0.00073 -0.00005 0.00015 -0.00004 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00000 0.00001 0.00000 0.00000 97 10 H 1S -0.00001 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 0.00193 -0.00143 0.00071 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 0.00054 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 91 92 93 94 95 91 7 H 1S 0.21431 92 2S 0.10262 0.13785 93 8 H 1S -0.00001 -0.00093 0.21431 94 2S -0.00093 -0.00487 0.10262 0.13785 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.21482 96 2S 0.00000 0.00002 0.00000 -0.00015 0.10331 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 98 2S 0.00000 -0.00015 0.00000 0.00002 -0.00091 99 11 O 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 100 2S 0.00000 0.00000 0.00000 0.00013 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00034 0.00000 102 2PY 0.00000 0.00000 0.00000 -0.00057 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00047 0.00000 104 3S 0.00000 -0.00001 -0.00013 0.00056 -0.00017 105 3PX 0.00000 -0.00002 0.00000 0.00222 -0.00004 106 3PY 0.00000 -0.00002 -0.00022 -0.00271 -0.00020 107 3PZ 0.00000 -0.00001 -0.00025 0.00261 -0.00023 108 4XX 0.00000 0.00000 0.00000 0.00002 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00010 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00004 0.00000 111 4XY 0.00000 0.00000 0.00000 -0.00002 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 115 2S 0.00000 0.00013 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00034 0.00000 0.00000 0.00000 117 2PY 0.00000 -0.00057 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00047 0.00000 0.00000 0.00000 119 3S -0.00013 0.00056 0.00000 -0.00001 0.00000 120 3PX 0.00000 0.00222 0.00000 -0.00002 0.00000 121 3PY -0.00022 -0.00271 0.00000 -0.00002 0.00000 122 3PZ -0.00025 0.00261 0.00000 -0.00001 0.00000 123 4XX 0.00000 0.00002 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00010 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00004 0.00000 0.00000 0.00000 126 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00001 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 -0.00008 0.00000 -0.00008 0.00000 131 2PX 0.00000 -0.00015 0.00000 -0.00015 0.00000 132 2PY 0.00000 -0.00016 0.00000 -0.00016 0.00000 133 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 134 3S -0.00012 -0.00023 -0.00012 -0.00023 0.00000 135 3PX -0.00012 -0.00039 -0.00012 -0.00039 0.00000 136 3PY -0.00015 -0.00057 -0.00015 -0.00057 0.00000 137 3PZ -0.00037 -0.00079 -0.00037 -0.00079 0.00000 138 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 139 4YY 0.00000 -0.00001 0.00000 -0.00001 0.00000 140 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00000 141 4XY 0.00000 -0.00001 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 0.00003 0.00000 0.00003 0.00000 145 2S 0.00020 0.00128 0.00020 0.00128 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00001 0.00004 0.00001 0.00004 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 149 2S 0.00000 0.00001 -0.00002 -0.00031 0.00000 150 2PX 0.00000 0.00004 -0.00001 -0.00018 0.00000 151 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00004 -0.00005 -0.00112 0.00000 153 3S 0.00001 0.00003 -0.00098 -0.00381 0.00000 154 3PX 0.00005 0.00041 -0.00065 -0.00146 0.00000 155 3PY -0.00006 -0.00049 0.00002 0.00002 0.00000 156 3PZ 0.00005 0.00045 0.00013 -0.00024 0.00000 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 -0.00007 -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 0.00001 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 0.00007 0.00000 170 3S 0.00000 0.00008 0.00002 0.00026 0.00000 171 3PX 0.00000 0.00012 -0.00003 -0.00014 0.00000 172 3PY 0.00001 0.00014 0.00001 0.00011 0.00000 173 3PZ 0.00001 0.00022 0.00002 0.00042 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 -0.00005 0.00000 182 20 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 183 2S -0.00002 -0.00031 0.00000 0.00001 0.00000 184 2PX -0.00001 -0.00018 0.00000 0.00004 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 186 2PZ -0.00005 -0.00112 0.00000 0.00004 0.00000 187 3S -0.00098 -0.00381 0.00001 0.00003 0.00000 188 3PX -0.00065 -0.00146 0.00005 0.00041 0.00000 189 3PY 0.00002 0.00002 -0.00006 -0.00049 0.00000 190 3PZ 0.00013 -0.00024 0.00005 0.00045 0.00000 191 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 192 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00012 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00001 0.00004 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00017 0.00000 0.00000 0.00000 198 2S -0.00016 0.00017 0.00000 -0.00007 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00003 0.00000 0.00000 0.00000 201 2PX 0.00000 -0.00001 0.00000 0.00001 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00007 0.00000 0.00001 0.00000 204 3S 0.00002 0.00026 0.00000 0.00008 0.00000 205 3PX -0.00003 -0.00014 0.00000 0.00012 0.00000 206 3PY 0.00001 0.00011 0.00001 0.00014 0.00000 207 3PZ 0.00002 0.00042 0.00001 0.00022 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 -0.00005 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.14022 97 10 H 1S -0.00091 0.21482 98 2S -0.00512 0.10331 0.14022 99 11 O 1S -0.00001 0.00000 0.00000 2.07870 100 2S 0.00016 0.00000 0.00000 -0.04263 0.50228 101 2PX 0.00042 0.00000 0.00000 0.00000 0.00000 102 2PY -0.00060 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00034 0.00000 0.00000 0.00000 0.00000 104 3S 0.00044 0.00000 -0.00001 -0.04096 0.45743 105 3PX 0.00240 0.00000 -0.00001 0.00000 0.00000 106 3PY -0.00275 0.00000 -0.00003 0.00000 0.00000 107 3PZ 0.00227 0.00000 -0.00002 0.00000 0.00000 108 4XX 0.00004 0.00000 0.00000 -0.00042 -0.00520 109 4YY -0.00011 0.00000 0.00000 -0.00035 -0.00609 110 4ZZ 0.00005 0.00000 0.00000 -0.00041 -0.00532 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 113 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 115 2S 0.00000 0.00000 0.00016 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00042 0.00000 0.00000 117 2PY 0.00000 0.00000 -0.00060 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00034 0.00000 0.00000 119 3S -0.00001 -0.00017 0.00044 0.00000 0.00000 120 3PX -0.00001 -0.00004 0.00240 0.00000 0.00000 121 3PY -0.00003 -0.00020 -0.00275 0.00000 0.00000 122 3PZ -0.00002 -0.00023 0.00227 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00004 0.00000 0.00000 124 4YY 0.00000 0.00000 -0.00011 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 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 0.00000 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 -0.00006 0.00000 0.00001 0.00000 0.00006 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 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 0.00000 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 0.00000 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 -0.00004 0.00000 0.00001 0.00000 0.00000 171 3PX -0.00004 0.00000 0.00005 0.00000 0.00000 172 3PY -0.00001 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 0.00006 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 0.00001 0.00000 0.00000 188 3PX 0.00001 0.00000 -0.00006 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 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 0.00000 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 0.00000 -0.00004 0.00000 0.00000 205 3PX 0.00005 0.00000 -0.00004 0.00000 0.00000 206 3PY 0.00000 0.00000 -0.00001 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 0.00006 0.00000 0.00000 101 102 103 104 105 101 2PX 0.68665 102 2PY 0.00000 0.60050 103 2PZ 0.00000 0.00000 0.70002 104 3S 0.00000 0.00000 0.00000 0.76574 105 3PX 0.23520 0.00000 0.00000 0.00000 0.32260 106 3PY 0.00000 0.16423 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.24000 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 0.18079 107 3PZ 0.00000 0.32936 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 0.68665 117 2PY 0.00000 0.60050 118 2PZ 0.00000 0.00000 0.70002 119 3S 0.00000 0.00000 0.00000 0.76574 120 3PX 0.23520 0.00000 0.00000 0.00000 0.32260 121 3PY 0.00000 0.16423 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.24000 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 0.18079 122 3PZ 0.00000 0.32936 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 0.23761 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 -0.00182 0.02934 145 2S 0.00000 0.00000 0.00000 -0.00076 0.01040 146 15 H 1S 0.00000 0.00000 0.00000 -0.00160 0.02653 147 2S 0.00000 0.00000 0.00000 -0.00024 0.00612 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 0.01422 152 2PZ 0.00000 0.00000 0.00000 -0.00032 0.00663 153 3S 0.00000 0.00000 0.00000 -0.00002 0.00556 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 0.00468 185 2PY 0.00000 0.00000 0.00000 -0.00075 0.01422 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 0.09978 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 0.00038 0.00000 0.09846 0.03831 0.00029 145 2S 0.00020 0.00000 0.05911 0.01741 0.00041 146 15 H 1S 0.08877 0.00000 0.00660 0.03149 0.05938 147 2S 0.05498 0.00000 0.00384 -0.00237 0.05479 148 16 C 1S -0.00032 -0.00084 -0.00028 0.00021 -0.00035 149 2S 0.00639 0.01742 0.00516 0.00379 0.00504 150 2PX -0.00005 0.01475 0.00481 0.00755 -0.00238 151 2PY 0.01237 0.02243 0.01141 0.02016 0.00697 152 2PZ 0.00625 0.01722 0.00013 0.00526 0.00291 153 3S 0.00723 0.01277 0.00662 -0.01281 0.00328 154 3PX -0.00095 0.00846 0.00175 0.00460 -0.00371 155 3PY 0.00496 0.00220 0.00458 0.00901 0.00218 156 3PZ 0.00258 0.00992 -0.00163 -0.00060 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 0.00062 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 -0.00149 0.00143 -0.00485 -0.00821 -0.00269 171 3PX -0.00003 0.00032 -0.00199 -0.00027 -0.00236 172 3PY 0.00001 -0.00112 0.00051 -0.00251 -0.00069 173 3PZ -0.00153 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 0.00639 0.01742 0.00516 0.00379 0.00504 184 2PX -0.00005 0.01475 0.00481 0.00755 -0.00238 185 2PY 0.01237 0.02243 0.01141 0.02016 0.00697 186 2PZ 0.00625 0.01722 0.00013 0.00526 0.00291 187 3S 0.00723 0.01277 0.00662 -0.01281 0.00328 188 3PX -0.00095 0.00846 0.00175 0.00460 -0.00371 189 3PY 0.00496 0.00220 0.00458 0.00901 0.00218 190 3PZ 0.00258 0.00992 -0.00163 -0.00060 0.00126 191 4XX -0.00017 0.00015 0.00007 -0.00001 -0.00054 192 4YY 0.00090 -0.00091 0.00084 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 0.00005 0.00004 -0.00026 -0.00015 -0.00009 202 2PY -0.00006 0.00000 -0.00008 -0.00200 -0.00095 203 2PZ -0.00032 -0.00027 -0.00051 -0.00349 -0.00278 204 3S -0.00149 0.00143 -0.00485 -0.00821 -0.00269 205 3PX -0.00003 0.00032 -0.00199 -0.00027 -0.00236 206 3PY 0.00001 -0.00112 0.00051 -0.00251 -0.00069 207 3PZ -0.00153 0.00037 -0.00219 -0.00460 -0.00377 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 0.05906 -0.00094 -0.00101 0.00743 145 2S 0.00000 0.05018 -0.00270 -0.00218 0.00652 146 15 H 1S 0.00000 0.00417 0.00642 -0.00090 -0.00086 147 2S 0.00000 0.00389 0.00599 -0.00194 -0.00228 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 0.00386 -0.00008 0.00052 -0.00009 151 2PY 0.00396 0.00610 -0.00017 -0.00063 0.00000 152 2PZ 0.01160 -0.00102 -0.00009 0.00092 -0.00017 153 3S 0.00221 0.00105 -0.00033 0.00207 -0.00110 154 3PX 0.00823 0.00231 -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 -0.00086 -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 -0.00237 -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 0.00144 0.00000 0.00000 -0.00002 182 20 C 1S -0.00069 -0.00018 0.00001 -0.00004 0.00000 183 2S 0.01116 0.00333 -0.00028 0.00096 -0.00012 184 2PX 0.01036 0.00386 -0.00008 0.00052 -0.00009 185 2PY 0.00396 0.00610 -0.00017 -0.00063 0.00000 186 2PZ 0.01160 -0.00102 -0.00009 0.00092 -0.00017 187 3S 0.00221 0.00105 -0.00033 0.00207 -0.00110 188 3PX 0.00823 0.00231 -0.00035 0.00043 0.00006 189 3PY -0.00192 0.00110 0.00020 -0.00035 -0.00041 190 3PZ 0.00799 -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 -0.00382 -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 -0.00757 -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 0.00002 0.00000 0.21453 145 2S 0.00000 0.00000 0.00000 0.10531 0.14145 146 15 H 1S 0.00000 0.00122 0.00000 -0.00045 -0.00663 147 2S 0.00000 0.00026 0.00000 -0.00674 -0.01761 148 16 C 1S -0.00005 -0.00002 -0.00005 0.00000 0.00013 149 2S 0.00083 0.00030 0.00088 -0.00009 -0.00188 150 2PX -0.00006 0.00000 0.00085 -0.00006 -0.00037 151 2PY 0.00087 0.00061 0.00095 -0.00009 -0.00142 152 2PZ 0.00077 -0.00001 -0.00004 -0.00025 -0.00470 153 3S 0.00041 0.00014 0.00041 -0.00232 -0.01085 154 3PX 0.00026 0.00001 0.00028 -0.00028 0.00010 155 3PY 0.00004 0.00010 0.00006 -0.00092 -0.00395 156 3PZ 0.00030 0.00000 0.00011 -0.00162 -0.00613 157 4XX 0.00000 0.00000 -0.00003 0.00000 -0.00013 158 4YY -0.00005 0.00003 -0.00006 -0.00001 -0.00027 159 4ZZ -0.00002 0.00000 0.00000 0.00005 0.00075 160 4XY 0.00001 0.00000 0.00004 0.00000 -0.00002 161 4XZ 0.00001 0.00000 0.00000 0.00001 -0.00001 162 4YZ 0.00003 0.00000 0.00000 0.00002 -0.00001 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 164 2S -0.00008 -0.00001 -0.00005 -0.00014 -0.00085 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00001 0.00001 0.00000 0.00018 167 2PX -0.00001 0.00000 0.00003 0.00000 0.00021 168 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 169 2PZ 0.00001 0.00007 0.00004 0.00000 0.00028 170 3S 0.00005 -0.00003 0.00003 0.00013 0.00193 171 3PX 0.00000 0.00000 0.00007 0.00009 0.00140 172 3PY -0.00003 -0.00001 -0.00001 -0.00003 -0.00019 173 3PZ 0.00007 0.00007 -0.00001 0.00015 0.00130 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 0.00000 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 -0.00011 182 20 C 1S -0.00005 -0.00002 -0.00005 0.00000 0.00013 183 2S 0.00083 0.00030 0.00088 -0.00009 -0.00188 184 2PX -0.00006 0.00000 0.00085 -0.00006 -0.00037 185 2PY 0.00087 0.00061 0.00095 -0.00009 -0.00142 186 2PZ 0.00077 -0.00001 -0.00004 -0.00025 -0.00470 187 3S 0.00041 0.00014 0.00041 -0.00232 -0.01085 188 3PX 0.00026 0.00001 0.00028 -0.00028 0.00010 189 3PY 0.00004 0.00010 0.00006 -0.00092 -0.00395 190 3PZ 0.00030 0.00000 0.00011 -0.00162 -0.00613 191 4XX 0.00000 0.00000 -0.00003 0.00000 -0.00013 192 4YY -0.00005 0.00003 -0.00006 -0.00001 -0.00027 193 4ZZ -0.00002 0.00000 0.00000 0.00005 0.00075 194 4XY 0.00001 0.00000 0.00004 0.00000 -0.00002 195 4XZ 0.00001 0.00000 0.00000 0.00001 -0.00001 196 4YZ 0.00003 0.00000 0.00000 0.00002 -0.00001 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 198 2S -0.00008 -0.00001 -0.00005 -0.00014 -0.00085 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00001 0.00001 0.00000 0.00018 201 2PX -0.00001 0.00000 0.00003 0.00000 0.00021 202 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 203 2PZ 0.00001 0.00007 0.00004 0.00000 0.00028 204 3S 0.00005 -0.00003 0.00003 0.00013 0.00193 205 3PX 0.00000 0.00000 0.00007 0.00009 0.00140 206 3PY -0.00003 -0.00001 -0.00001 -0.00003 -0.00019 207 3PZ 0.00007 0.00007 -0.00001 0.00015 0.00130 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 0.00000 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 -0.00011 146 147 148 149 150 146 15 H 1S 0.21008 147 2S 0.10344 0.14021 148 16 C 1S 0.00000 0.00020 2.05589 149 2S -0.00019 -0.00342 -0.01386 0.33144 150 2PX 0.00001 -0.00226 0.00000 0.00000 0.31536 151 2PY -0.00015 -0.00215 0.00000 0.00000 0.00000 152 2PZ -0.00006 -0.00050 0.00000 0.00000 0.00000 153 3S -0.00198 -0.00706 -0.03809 0.25289 0.00000 154 3PX -0.00105 -0.00492 0.00000 0.00000 0.10654 155 3PY -0.00048 -0.00188 0.00000 0.00000 0.00000 156 3PZ -0.00037 -0.00062 0.00000 0.00000 0.00000 157 4XX 0.00009 0.00082 -0.00087 -0.00986 0.00000 158 4YY -0.00001 -0.00028 -0.00151 0.00216 0.00000 159 4ZZ 0.00000 -0.00007 -0.00109 -0.00526 0.00000 160 4XY 0.00004 0.00005 0.00000 0.00000 0.00000 161 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00000 162 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 -0.00004 -0.00212 0.03300 0.00215 164 2S -0.00001 0.00013 -0.00144 0.01348 0.00164 165 18 C 1S 0.00000 0.00000 0.00000 -0.00045 -0.00014 166 2S 0.00000 -0.00003 -0.00049 0.00996 0.00196 167 2PX -0.00002 -0.00055 -0.00007 0.00127 0.01250 168 2PY 0.00000 0.00001 -0.00029 0.00500 0.00075 169 2PZ 0.00000 0.00006 -0.00224 0.03372 0.01115 170 3S 0.00003 0.00097 0.00087 0.00320 0.00313 171 3PX -0.00112 -0.00191 0.00024 -0.00119 0.02279 172 3PY 0.00000 -0.00006 -0.00027 0.00193 0.00017 173 3PZ 0.00017 0.00027 -0.00036 0.01395 0.00617 174 4XX 0.00000 0.00001 0.00000 -0.00029 0.00004 175 4YY 0.00000 0.00000 0.00001 -0.00060 -0.00010 176 4ZZ 0.00000 -0.00004 -0.00017 0.00248 0.00053 177 4XY 0.00000 0.00000 -0.00001 0.00005 0.00010 178 4XZ 0.00000 -0.00004 -0.00003 0.00031 0.00100 179 4YZ 0.00000 -0.00001 -0.00007 0.00081 0.00016 180 19 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00004 181 2S -0.00001 -0.00020 0.00020 -0.00279 -0.00069 182 20 C 1S 0.00000 0.00020 0.00000 0.00000 0.00000 183 2S -0.00019 -0.00342 0.00000 -0.00018 0.00000 184 2PX 0.00001 -0.00226 0.00000 0.00000 -0.00034 185 2PY -0.00015 -0.00215 0.00000 -0.00056 0.00000 186 2PZ -0.00006 -0.00050 0.00000 0.00000 0.00000 187 3S -0.00198 -0.00706 0.00019 -0.00250 0.00000 188 3PX -0.00105 -0.00492 0.00000 0.00000 -0.00407 189 3PY -0.00048 -0.00188 0.00030 -0.00302 0.00000 190 3PZ -0.00037 -0.00062 0.00000 0.00000 0.00000 191 4XX 0.00009 0.00082 0.00000 0.00000 0.00000 192 4YY -0.00001 -0.00028 0.00000 0.00010 0.00000 193 4ZZ 0.00000 -0.00007 0.00000 0.00000 0.00000 194 4XY 0.00004 0.00005 0.00000 0.00000 0.00001 195 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00000 196 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00004 0.00000 0.00000 0.00000 198 2S -0.00001 0.00013 0.00000 0.00016 -0.00001 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 -0.00003 0.00000 -0.00022 0.00001 201 2PX -0.00002 -0.00055 0.00000 -0.00002 -0.00001 202 2PY 0.00000 0.00001 0.00000 -0.00045 -0.00005 203 2PZ 0.00000 0.00006 0.00000 -0.00022 0.00002 204 3S 0.00003 0.00097 0.00006 -0.00253 -0.00029 205 3PX -0.00112 -0.00190 0.00000 -0.00003 -0.00068 206 3PY 0.00000 -0.00006 0.00008 -0.00253 -0.00054 207 3PZ 0.00017 0.00027 -0.00004 -0.00036 -0.00024 208 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00004 0.00001 210 4ZZ 0.00000 -0.00004 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00003 212 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 213 4YZ 0.00000 -0.00001 0.00000 0.00006 0.00002 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00001 -0.00020 -0.00001 0.00018 0.00000 151 152 153 154 155 151 2PY 0.42636 152 2PZ 0.00000 0.40301 153 3S 0.00000 0.00000 0.34778 154 3PX 0.00000 0.00000 0.00000 0.12139 155 3PY 0.07592 0.00000 0.00000 0.00000 0.05358 156 3PZ 0.00000 0.09843 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00734 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 0.09144 0.00577 0.05021 0.00164 0.03905 164 2S 0.05410 0.00259 0.03092 0.00227 0.03247 165 18 C 1S -0.00024 -0.00223 -0.00047 -0.00005 -0.00033 166 2S 0.00324 0.03555 0.01227 0.00023 0.00406 167 2PX 0.00015 0.01316 -0.00217 0.02271 -0.00082 168 2PY -0.00071 0.01579 0.00168 0.00031 0.00370 169 2PZ 0.01047 0.05876 0.03843 0.00528 0.00550 170 3S 0.00552 0.01543 -0.01513 0.00330 0.00321 171 3PX -0.00022 0.00625 -0.00737 0.03830 -0.00112 172 3PY 0.00396 0.01037 -0.00026 -0.00022 0.00560 173 3PZ 0.00425 0.00456 0.01726 0.00581 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 0.00019 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 -0.00874 -0.01422 -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 -0.00302 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 -0.01355 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 0.00267 203 2PZ -0.00039 0.00000 -0.00362 0.00006 -0.00109 204 3S -0.00782 0.00285 -0.00671 -0.00130 -0.01044 205 3PX 0.00004 0.00011 -0.00198 -0.00362 -0.00201 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 0.09381 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 0.00505 -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 0.00789 0.00004 -0.00012 0.00089 0.00011 168 2PY 0.00729 -0.00008 0.00003 0.00105 0.00004 169 2PZ 0.01017 -0.00092 -0.00097 0.00035 0.00019 170 3S -0.00618 0.00008 -0.00245 0.00345 0.00000 171 3PX 0.00660 -0.00014 -0.00020 0.00070 0.00009 172 3PY 0.00815 -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 -0.00966 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 -0.00062 0.00000 -0.00001 0.00001 0.00001 202 2PY -0.00303 -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 0.13512 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 0.00120 0.00021 -0.00001 -0.00025 0.00000 168 2PY 0.00006 0.00058 -0.00026 -0.00411 0.00000 169 2PZ 0.00048 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 0.34555 168 2PY 0.00000 0.00000 0.41953 169 2PZ 0.00000 0.00000 0.00000 0.40631 170 3S 0.20797 0.00000 0.00000 0.00000 0.27303 171 3PX 0.00000 0.12410 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.07766 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.06668 0.00000 174 4XX -0.00993 0.00000 0.00000 0.00000 -0.00657 175 4YY -0.00170 0.00000 0.00000 0.00000 -0.00100 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 0.00894 0.03339 0.05676 0.05004 181 2S 0.01135 0.00564 0.01988 0.03529 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 -0.00109 -0.01044 190 3PZ -0.00216 -0.00062 -0.00303 -0.00035 0.00777 191 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00008 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 0.00000 202 2PY 0.04091 0.00000 0.09974 0.00000 0.02956 203 2PZ 0.00000 0.00000 0.00000 0.00394 0.00000 204 3S 0.01187 0.00000 0.02956 0.00000 -0.01104 205 3PX 0.00000 0.03087 0.00000 0.00000 0.00000 206 3PY 0.02194 0.00000 0.01816 0.00000 0.00560 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 0.14492 172 3PY 0.00000 0.05522 173 3PZ 0.00000 0.00000 0.05198 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 0.00425 0.01354 0.02227 -0.00061 -0.00032 181 2S 0.00410 0.00976 0.01658 -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 0.00022 -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 0.00000 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 0.00799 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 0.00152 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 0.14180 182 20 C 1S -0.00001 2.05589 183 2S 0.00018 -0.01386 0.33144 184 2PX 0.00000 0.00000 0.00000 0.31536 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 0.25289 0.00000 0.00000 188 3PX -0.00006 0.00000 0.00000 0.10654 0.00000 189 3PY 0.00064 0.00000 0.00000 0.00000 0.07592 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 -0.00526 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 0.00215 0.09144 198 2S -0.00010 -0.00144 0.01348 0.00164 0.05410 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 0.01250 0.00015 202 2PY -0.00722 -0.00029 0.00500 0.00075 -0.00071 203 2PZ -0.00163 -0.00224 0.03372 0.01115 0.01046 204 3S -0.01520 0.00087 0.00320 0.00313 0.00552 205 3PX -0.00031 0.00024 -0.00119 0.02279 -0.00022 206 3PY -0.01269 -0.00027 0.00193 0.00017 0.00396 207 3PZ 0.00031 -0.00036 0.01395 0.00617 0.00425 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 0.00019 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 0.40301 187 3S 0.00000 0.34778 188 3PX 0.00000 0.00000 0.12139 189 3PY 0.00000 0.00000 0.00000 0.05358 190 3PZ 0.09843 0.00000 0.00000 0.00000 0.09381 191 4XX 0.00000 -0.00734 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 0.00577 0.05021 0.00164 0.03905 0.00242 198 2S 0.00259 0.03092 0.00226 0.03247 0.00025 199 22 C 1S -0.00223 -0.00047 -0.00005 -0.00033 -0.00156 200 2S 0.03555 0.01227 0.00023 0.00406 0.02069 201 2PX 0.01316 -0.00217 0.02271 -0.00082 0.00789 202 2PY 0.01579 0.00168 0.00031 0.00371 0.00729 203 2PZ 0.05877 0.03843 0.00528 0.00550 0.01017 204 3S 0.01543 -0.01513 0.00330 0.00321 -0.00618 205 3PX 0.00625 -0.00737 0.03830 -0.00112 0.00660 206 3PY 0.01037 -0.00026 -0.00022 0.00560 0.00815 207 3PZ 0.00456 0.01726 0.00581 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 -0.00874 -0.01422 -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 -0.00092 0.00591 -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 0.00120 202 2PY -0.00008 0.00003 0.00104 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 0.00058 -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 -0.00127 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 0.01135 201 202 203 204 205 201 2PX 0.34555 202 2PY 0.00000 0.41953 203 2PZ 0.00000 0.00000 0.40631 204 3S 0.00000 0.00000 0.00000 0.27303 205 3PX 0.12410 0.00000 0.00000 0.00000 0.14492 206 3PY 0.00000 0.07766 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.06668 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 0.00894 0.03340 0.05676 0.05004 0.00425 215 2S 0.00564 0.01988 0.03529 0.04215 0.00410 206 207 208 209 210 206 3PY 0.05522 207 3PZ 0.00000 0.05198 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 0.01354 0.02227 -0.00061 -0.00032 0.00152 215 2S 0.00976 0.01658 -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 0.00012 0.00070 0.10561 0.14180 Gross orbital populations: 1 1 1 C 1S 1.99265 2 2S 0.69839 3 2PX 0.62189 4 2PY 0.75043 5 2PZ 0.67904 6 3S 0.61000 7 3PX 0.34937 8 3PY 0.19043 9 3PZ 0.32533 10 4XX -0.01394 11 4YY 0.00199 12 4ZZ -0.00315 13 4XY 0.00813 14 4XZ 0.00515 15 4YZ 0.01023 16 2 C 1S 1.99265 17 2S 0.69839 18 2PX 0.62189 19 2PY 0.75043 20 2PZ 0.67904 21 3S 0.61000 22 3PX 0.34937 23 3PY 0.19043 24 3PZ 0.32533 25 4XX -0.01394 26 4YY 0.00199 27 4ZZ -0.00315 28 4XY 0.00813 29 4XZ 0.00515 30 4YZ 0.01023 31 3 C 1S 1.99236 32 2S 0.72875 33 2PX 0.61526 34 2PY 0.73578 35 2PZ 0.62335 36 3S 0.38550 37 3PX 0.18927 38 3PY 0.02557 39 3PZ 0.19158 40 4XX -0.01461 41 4YY 0.01115 42 4ZZ -0.01501 43 4XY 0.02782 44 4XZ 0.00550 45 4YZ 0.02903 46 4 C 1S 1.99200 47 2S 0.71655 48 2PX 0.62442 49 2PY 0.78442 50 2PZ 0.64986 51 3S 0.56622 52 3PX 0.33327 53 3PY 0.17895 54 3PZ 0.31250 55 4XX -0.01214 56 4YY 0.00405 57 4ZZ -0.00796 58 4XY 0.00933 59 4XZ 0.00495 60 4YZ 0.01073 61 5 C 1S 1.99200 62 2S 0.71655 63 2PX 0.62442 64 2PY 0.78442 65 2PZ 0.64986 66 3S 0.56622 67 3PX 0.33327 68 3PY 0.17895 69 3PZ 0.31250 70 4XX -0.01214 71 4YY 0.00405 72 4ZZ -0.00796 73 4XY 0.00933 74 4XZ 0.00495 75 4YZ 0.01073 76 6 C 1S 1.99236 77 2S 0.72875 78 2PX 0.61526 79 2PY 0.73578 80 2PZ 0.62335 81 3S 0.38550 82 3PX 0.18927 83 3PY 0.02557 84 3PZ 0.19158 85 4XX -0.01461 86 4YY 0.01115 87 4ZZ -0.01501 88 4XY 0.02782 89 4XZ 0.00550 90 4YZ 0.02903 91 7 H 1S 0.52751 92 2S 0.30777 93 8 H 1S 0.52751 94 2S 0.30777 95 9 H 1S 0.52756 96 2S 0.31305 97 10 H 1S 0.52756 98 2S 0.31305 99 11 O 1S 1.99242 100 2S 0.90551 101 2PX 0.96435 102 2PY 0.91600 103 2PZ 0.98051 104 3S 1.06347 105 3PX 0.61538 106 3PY 0.44693 107 3PZ 0.62244 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 0.96435 117 2PY 0.91600 118 2PZ 0.98051 119 3S 1.06347 120 3PX 0.61538 121 3PY 0.44693 122 3PZ 0.62244 123 4XX -0.01269 124 4YY -0.00044 125 4ZZ -0.01312 126 4XY 0.00848 127 4XZ 0.00037 128 4YZ 0.00830 129 13 C 1S 1.99219 130 2S 0.68736 131 2PX 0.70947 132 2PY 0.67630 133 2PZ 0.73161 134 3S 0.59368 135 3PX 0.30498 136 3PY 0.25590 137 3PZ 0.31517 138 4XX 0.00525 139 4YY -0.00779 140 4ZZ 0.01084 141 4XY 0.00793 142 4XZ 0.00477 143 4YZ 0.00798 144 14 H 1S 0.52976 145 2S 0.31096 146 15 H 1S 0.51761 147 2S 0.30193 148 16 C 1S 1.99271 149 2S 0.71001 150 2PX 0.54597 151 2PY 0.74831 152 2PZ 0.71116 153 3S 0.61536 154 3PX 0.33511 155 3PY 0.22953 156 3PZ 0.24789 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 0.30806 165 18 C 1S 1.99201 166 2S 0.71237 167 2PX 0.58844 168 2PY 0.75286 169 2PZ 0.72758 170 3S 0.51855 171 3PX 0.39831 172 3PY 0.20190 173 3PZ 0.19125 174 4XX -0.02110 175 4YY 0.00270 176 4ZZ 0.00506 177 4XY 0.00594 178 4XZ 0.00490 179 4YZ 0.01261 180 19 H 1S 0.52868 181 2S 0.32008 182 20 C 1S 1.99271 183 2S 0.71001 184 2PX 0.54597 185 2PY 0.74831 186 2PZ 0.71116 187 3S 0.61536 188 3PX 0.33511 189 3PY 0.22953 190 3PZ 0.24789 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 0.71237 201 2PX 0.58844 202 2PY 0.75286 203 2PZ 0.72758 204 3S 0.51855 205 3PX 0.39831 206 3PY 0.20190 207 3PZ 0.19125 208 4XX -0.02110 209 4YY 0.00270 210 4ZZ 0.00506 211 4XY 0.00594 212 4XZ 0.00490 213 4YZ 0.01261 214 23 H 1S 0.52868 215 2S 0.32008 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.440538 0.298380 -0.005437 -0.001273 -0.112898 0.353402 2 C 0.298380 5.440535 0.353401 -0.112898 -0.001274 -0.005437 3 C -0.005437 0.353401 4.384215 0.370909 -0.013093 -0.016945 4 C -0.001273 -0.112898 0.370909 5.250492 0.418629 -0.013093 5 C -0.112898 -0.001274 -0.013093 0.418629 5.250492 0.370909 6 C 0.353402 -0.005437 -0.016945 -0.013093 0.370909 4.384215 7 H 0.343348 -0.033389 0.002153 -0.000511 0.006578 -0.027287 8 H -0.033389 0.343348 -0.027287 0.006578 -0.000511 0.002153 9 H -0.000725 0.007115 -0.031799 0.341332 -0.035023 0.003231 10 H 0.007115 -0.000725 0.003231 -0.035023 0.341332 -0.031799 11 O 0.005149 -0.072884 0.521194 -0.067772 0.005855 -0.000098 12 O -0.072884 0.005149 -0.000098 0.005855 -0.067772 0.521194 13 C -0.026552 -0.026552 0.001508 0.000121 0.000121 0.001508 14 H -0.002932 -0.002933 0.000334 -0.000006 -0.000006 0.000334 15 H 0.003419 0.003419 -0.000029 -0.000002 -0.000002 -0.000029 16 C -0.030004 0.104989 -0.003648 -0.001226 -0.001294 -0.000585 17 H 0.001992 -0.014860 -0.001178 0.000093 -0.000030 -0.000005 18 C -0.028236 -0.002853 -0.005183 0.004816 0.000804 -0.001259 19 H -0.000308 -0.000038 0.000956 0.000540 0.000129 -0.000054 20 C 0.104988 -0.030005 -0.000585 -0.001294 -0.001227 -0.003648 21 H -0.014861 0.001992 -0.000005 -0.000030 0.000093 -0.001178 22 C -0.002852 -0.028236 -0.001259 0.000805 0.004816 -0.005183 23 H -0.000038 -0.000308 -0.000054 0.000129 0.000540 0.000956 7 8 9 10 11 12 1 C 0.343348 -0.033389 -0.000725 0.007115 0.005149 -0.072884 2 C -0.033389 0.343348 0.007115 -0.000725 -0.072884 0.005149 3 C 0.002153 -0.027287 -0.031799 0.003231 0.521194 -0.000098 4 C -0.000511 0.006578 0.341332 -0.035023 -0.067772 0.005855 5 C 0.006578 -0.000511 -0.035023 0.341332 0.005855 -0.067772 6 C -0.027287 0.002153 0.003231 -0.031799 -0.000098 0.521194 7 H 0.557402 -0.006739 0.000017 -0.000159 -0.000055 0.002396 8 H -0.006739 0.557402 -0.000159 0.000017 0.002396 -0.000055 9 H 0.000017 -0.000159 0.561665 -0.006952 0.001997 -0.000069 10 H -0.000159 0.000017 -0.006952 0.561665 -0.000069 0.001997 11 O -0.000055 0.002396 0.001997 -0.000069 8.104010 0.000000 12 O 0.002396 -0.000055 -0.000069 0.001997 0.000000 8.104012 13 C -0.003129 -0.003129 0.000000 0.000000 0.000126 0.000126 14 H 0.001509 0.001509 0.000000 0.000000 0.000000 0.000000 15 H 0.000053 0.000053 0.000000 0.000000 -0.000001 -0.000001 16 C 0.000560 -0.008524 -0.000037 0.000009 -0.003073 -0.000009 17 H -0.000070 -0.000165 -0.000002 0.000000 0.002478 0.000000 18 C 0.000592 0.000742 -0.000106 0.000056 -0.001457 0.000091 19 H 0.000005 -0.000049 0.000064 -0.000001 0.000040 0.000000 20 C -0.008524 0.000560 0.000009 -0.000037 -0.000009 -0.003074 21 H -0.000165 -0.000070 0.000000 -0.000002 0.000000 0.002478 22 C 0.000742 0.000592 0.000056 -0.000106 0.000091 -0.001457 23 H -0.000049 0.000005 -0.000001 0.000064 0.000000 0.000040 13 14 15 16 17 18 1 C -0.026552 -0.002932 0.003419 -0.030004 0.001992 -0.028236 2 C -0.026552 -0.002933 0.003419 0.104989 -0.014860 -0.002853 3 C 0.001508 0.000334 -0.000029 -0.003648 -0.001178 -0.005183 4 C 0.000121 -0.000006 -0.000002 -0.001226 0.000093 0.004816 5 C 0.000121 -0.000006 -0.000002 -0.001294 -0.000030 0.000804 6 C 0.001508 0.000334 -0.000029 -0.000585 -0.000005 -0.001259 7 H -0.003129 0.001509 0.000053 0.000560 -0.000070 0.000592 8 H -0.003129 0.001509 0.000053 -0.008524 -0.000165 0.000742 9 H 0.000000 0.000000 0.000000 -0.000037 -0.000002 -0.000106 10 H 0.000000 0.000000 0.000000 0.000009 0.000000 0.000056 11 O 0.000126 0.000000 -0.000001 -0.003073 0.002478 -0.001457 12 O 0.000126 0.000000 -0.000001 -0.000009 0.000000 0.000091 13 C 5.117049 0.368122 0.344235 0.361801 -0.039364 -0.067752 14 H 0.368122 0.566598 -0.031425 -0.034352 -0.001140 0.005414 15 H 0.344235 -0.031425 0.557172 -0.026297 0.000077 -0.002228 16 C 0.361801 -0.034352 -0.026297 5.066762 0.366381 0.518831 17 H -0.039364 -0.001140 0.000077 0.366381 0.552391 -0.039634 18 C -0.067752 0.005414 -0.002228 0.518831 -0.039634 4.903749 19 H 0.006373 -0.000115 -0.000212 -0.049441 -0.003435 0.370581 20 C 0.361802 -0.034352 -0.026297 -0.072732 0.004904 -0.052843 21 H -0.039364 -0.001140 0.000077 0.004904 -0.000131 0.007082 22 C -0.067753 0.005414 -0.002228 -0.052842 0.007082 0.529001 23 H 0.006373 -0.000115 -0.000212 0.006253 -0.000109 -0.046843 19 20 21 22 23 1 C -0.000308 0.104988 -0.014861 -0.002852 -0.000038 2 C -0.000038 -0.030005 0.001992 -0.028236 -0.000308 3 C 0.000956 -0.000585 -0.000005 -0.001259 -0.000054 4 C 0.000540 -0.001294 -0.000030 0.000805 0.000129 5 C 0.000129 -0.001227 0.000093 0.004816 0.000540 6 C -0.000054 -0.003648 -0.001178 -0.005183 0.000956 7 H 0.000005 -0.008524 -0.000165 0.000742 -0.000049 8 H -0.000049 0.000560 -0.000070 0.000592 0.000005 9 H 0.000064 0.000009 0.000000 0.000056 -0.000001 10 H -0.000001 -0.000037 -0.000002 -0.000106 0.000064 11 O 0.000040 -0.000009 0.000000 0.000091 0.000000 12 O 0.000000 -0.003074 0.002478 -0.001457 0.000040 13 C 0.006373 0.361802 -0.039364 -0.067753 0.006373 14 H -0.000115 -0.034352 -0.001140 0.005414 -0.000115 15 H -0.000212 -0.026297 0.000077 -0.002228 -0.000212 16 C -0.049441 -0.072732 0.004904 -0.052842 0.006253 17 H -0.003435 0.004904 -0.000131 0.007082 -0.000109 18 C 0.370581 -0.052843 0.007082 0.529001 -0.046843 19 H 0.567625 0.006253 -0.000109 -0.046843 -0.003208 20 C 0.006253 5.066764 0.366381 0.518832 -0.049442 21 H -0.000109 0.366381 0.552390 -0.039634 -0.003435 22 C -0.046843 0.518832 -0.039634 4.903747 0.370581 23 H -0.003208 -0.049442 -0.003435 0.370581 0.567625 Mulliken charges: 1 1 C -0.225939 2 C -0.225938 3 C 0.468699 4 C -0.167170 5 C -0.167170 6 C 0.468700 7 H 0.164724 8 H 0.164724 9 H 0.159389 10 H 0.159389 11 O -0.497917 12 O -0.497918 13 C -0.295670 14 H 0.159277 15 H 0.180460 16 C -0.146424 17 H 0.164723 18 C -0.093365 19 H 0.151246 20 C -0.146425 21 H 0.164724 22 C -0.093364 23 H 0.151247 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.061215 2 C -0.061214 3 C 0.468699 4 C -0.007782 5 C -0.007782 6 C 0.468700 11 O -0.497917 12 O -0.497918 13 C 0.044068 16 C 0.018299 18 C 0.057881 20 C 0.018299 22 C 0.057882 APT charges: 1 1 C -0.523528 2 C -0.523534 3 C -0.461036 4 C -0.505046 5 C -0.505046 6 C -0.461034 7 H 0.513772 8 H 0.513774 9 H 0.621412 10 H 0.621412 11 O 0.273574 12 O 0.273571 13 C -1.002116 14 H 0.414384 15 H 0.622370 16 C -0.528841 17 H 0.546253 18 C -0.447921 19 H 0.494045 20 C -0.528831 21 H 0.546247 22 C -0.447927 23 H 0.494044 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.009756 2 C -0.009759 3 C -0.461036 4 C 0.116366 5 C 0.116367 6 C -0.461034 11 O 0.273574 12 O 0.273571 13 C 0.034639 16 C 0.017412 18 C 0.046124 20 C 0.017416 22 C 0.046116 Electronic spatial extent (au): = 1884.5987 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -3.0305 Y= 0.0000 Z= 1.0150 Tot= 3.1960 Quadrupole moment (field-independent basis, Debye-Ang): XX= -70.8588 YY= -90.9024 ZZ= -68.8674 XY= 0.0001 XZ= 5.1611 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 6.0174 YY= -14.0262 ZZ= 8.0088 XY= 0.0001 XZ= 5.1611 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 5.1677 YYY= -0.0005 ZZZ= -0.9498 XYY= -31.0558 XXY= 0.0003 XXZ= 1.2948 XZZ= 3.5491 YZZ= 0.0000 YYZ= 10.3251 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1077.9892 YYYY= -1090.7891 ZZZZ= -386.0637 XXXY= 0.0006 XXXZ= 34.4032 YYYX= 0.0006 YYYZ= 0.0002 ZZZX= 7.6173 ZZZY= 0.0001 XXYY= -360.7432 XXZZ= -246.9334 YYZZ= -210.5963 XXYZ= -0.0001 YYXZ= 16.1757 ZZXY= -0.0001 N-N= 7.762867378819D+02 E-N=-2.891328851965D+03 KE= 5.702169981665D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.132686 29.025287 2 O -19.132684 29.027020 3 O -10.274830 15.888067 4 O -10.274820 15.885391 5 O -10.226025 15.889404 6 O -10.226013 15.886173 7 O -10.214672 15.872834 8 O -10.213865 15.886965 9 O -10.213565 15.884226 10 O -10.209365 15.880418 11 O -10.208867 15.891830 12 O -10.207659 15.875955 13 O -10.207120 15.886299 14 O -1.031518 2.599184 15 O -1.029426 2.647076 16 O -0.889677 1.403030 17 O -0.833708 1.611694 18 O -0.769957 1.577953 19 O -0.728819 1.512708 20 O -0.727858 1.554114 21 O -0.685766 1.855268 22 O -0.623252 1.412358 23 O -0.584887 1.486050 24 O -0.579907 1.376925 25 O -0.549244 1.335758 26 O -0.537783 0.982746 27 O -0.492162 1.409409 28 O -0.482318 1.660282 29 O -0.467586 1.060920 30 O -0.467210 1.593698 31 O -0.446774 1.187497 32 O -0.417005 2.128804 33 O -0.407498 1.353670 34 O -0.406957 1.311343 35 O -0.400059 1.633181 36 O -0.395699 1.353826 37 O -0.393202 1.495936 38 O -0.390813 1.748596 39 O -0.378756 1.566619 40 O -0.372115 1.423882 41 O -0.328524 1.280465 42 O -0.286863 1.379692 43 O -0.258061 1.592619 44 O -0.254001 1.804149 45 O -0.251416 1.980410 46 O -0.241144 2.008770 47 V -0.090796 1.805110 48 V -0.037407 1.483855 49 V -0.021621 1.392539 50 V 0.040898 1.917993 51 V 0.068740 1.618413 52 V 0.080164 0.951101 53 V 0.108376 1.001839 54 V 0.120686 0.990394 55 V 0.135534 1.044282 56 V 0.135805 1.294266 57 V 0.150975 1.218454 58 V 0.151360 1.184666 59 V 0.159623 1.496463 60 V 0.173768 1.333279 61 V 0.174876 1.295630 62 V 0.196985 1.530975 63 V 0.198690 1.664814 64 V 0.206718 1.324331 65 V 0.219136 1.582711 66 V 0.252732 1.680445 67 V 0.269475 1.445151 68 V 0.295165 1.713896 69 V 0.318334 1.935738 70 V 0.335721 1.539320 71 V 0.345348 2.189860 72 V 0.361944 2.304299 73 V 0.379294 1.639519 74 V 0.430795 1.700105 75 V 0.448572 2.610007 76 V 0.484252 2.208746 77 V 0.485588 1.819331 78 V 0.503505 1.824259 79 V 0.519246 2.031913 80 V 0.528328 2.069203 81 V 0.544285 1.932926 82 V 0.547859 2.193095 83 V 0.561385 2.008998 84 V 0.566987 2.075031 85 V 0.584462 2.038062 86 V 0.602192 2.223716 87 V 0.617948 2.577737 88 V 0.624377 2.120977 89 V 0.649024 2.522778 90 V 0.656911 2.583014 91 V 0.664585 3.131464 92 V 0.675697 2.673749 93 V 0.692453 2.480180 94 V 0.724763 2.442884 95 V 0.728627 2.462211 96 V 0.745670 2.505153 97 V 0.750020 2.587637 98 V 0.768379 2.422718 99 V 0.792238 2.601135 100 V 0.804182 2.416618 101 V 0.815426 2.547662 102 V 0.821304 2.825082 103 V 0.826042 2.567084 104 V 0.826845 2.690115 105 V 0.839275 2.810818 106 V 0.842470 2.799256 107 V 0.865706 2.481239 108 V 0.873004 2.677260 109 V 0.882906 2.465069 110 V 0.893390 2.565394 111 V 0.915746 2.467206 112 V 0.923460 2.539044 113 V 0.928624 2.452587 114 V 0.949060 2.710452 115 V 0.958531 2.419579 116 V 0.968060 2.616392 117 V 0.992044 2.807890 118 V 1.015221 2.381595 119 V 1.046394 3.018594 120 V 1.057888 2.983834 121 V 1.069808 2.755984 122 V 1.092671 2.428659 123 V 1.124894 3.029815 124 V 1.147136 2.334646 125 V 1.181472 2.455760 126 V 1.209170 2.415007 127 V 1.223885 2.486017 128 V 1.233204 2.544753 129 V 1.274250 2.459924 130 V 1.283297 2.411001 131 V 1.341472 2.768418 132 V 1.357895 2.616542 133 V 1.400694 2.537981 134 V 1.407917 2.628020 135 V 1.417841 2.603383 136 V 1.421226 2.621828 137 V 1.437169 2.689856 138 V 1.453594 2.654189 139 V 1.486327 2.714486 140 V 1.522515 2.877140 141 V 1.539916 2.719025 142 V 1.545160 2.743116 143 V 1.629005 2.869585 144 V 1.640415 2.861978 145 V 1.652418 2.945706 146 V 1.701768 3.250550 147 V 1.771292 2.839885 148 V 1.775275 3.043564 149 V 1.794619 3.108312 150 V 1.832372 2.922222 151 V 1.845105 3.083815 152 V 1.847203 3.289832 153 V 1.859490 3.252027 154 V 1.890062 3.198340 155 V 1.902548 3.164891 156 V 1.910443 3.312275 157 V 1.919812 3.029874 158 V 1.925173 3.385683 159 V 1.942458 3.435197 160 V 1.983066 3.607425 161 V 1.985866 3.369963 162 V 2.024510 3.655175 163 V 2.042209 3.471544 164 V 2.052205 3.533032 165 V 2.082743 3.426872 166 V 2.098585 3.496932 167 V 2.105076 3.475089 168 V 2.114880 3.611828 169 V 2.136632 3.522539 170 V 2.202006 3.776082 171 V 2.204498 3.613989 172 V 2.217570 3.544399 173 V 2.242028 3.550178 174 V 2.277685 3.603607 175 V 2.282240 3.648777 176 V 2.307532 3.794207 177 V 2.320142 3.783193 178 V 2.344101 3.634115 179 V 2.368275 3.753895 180 V 2.403911 3.736082 181 V 2.452217 4.004577 182 V 2.471261 3.860358 183 V 2.507147 4.166220 184 V 2.572421 4.088744 185 V 2.579768 4.024918 186 V 2.597398 3.867443 187 V 2.628700 4.144967 188 V 2.628834 4.574865 189 V 2.634120 4.187869 190 V 2.655789 4.452507 191 V 2.668949 4.212015 192 V 2.680992 4.189326 193 V 2.711678 4.496284 194 V 2.763696 4.538813 195 V 2.832340 4.520263 196 V 2.911431 4.763391 197 V 2.955407 4.473326 198 V 2.969664 4.701176 199 V 2.979063 4.939984 200 V 3.016214 5.041231 201 V 3.182023 4.869536 202 V 3.254001 5.166847 203 V 3.993182 10.222298 204 V 4.031865 10.096382 205 V 4.088903 10.510131 206 V 4.186587 10.275244 207 V 4.256597 10.344810 208 V 4.306650 10.413370 209 V 4.354093 10.443005 210 V 4.365538 10.632068 211 V 4.524756 10.466125 212 V 4.544553 10.816242 213 V 4.638157 10.713853 214 V 4.662114 11.232237 215 V 4.945224 11.803386 Total kinetic energy from orbitals= 5.702169981665D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 188.511 0.000 294.695 -10.929 0.000 172.800 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 0.000006998 -0.000010230 0.000008630 2 6 0.000005444 0.000010632 0.000008814 3 6 0.000000421 -0.000001389 0.000002279 4 6 0.000002710 0.000002832 0.000002259 5 6 0.000003251 -0.000003047 0.000001492 6 6 -0.000000705 0.000000710 0.000002850 7 1 -0.000001644 0.000000556 0.000000400 8 1 -0.000000781 -0.000000431 0.000000736 9 1 0.000000136 -0.000000427 0.000001149 10 1 0.000000042 0.000000333 0.000001322 11 8 -0.000001151 0.000000191 0.000001398 12 8 -0.000001019 0.000000578 0.000001489 13 6 0.000002709 0.000000446 0.000001063 14 1 -0.000000979 -0.000000125 -0.000000853 15 1 -0.000000263 0.000000033 -0.000000418 16 6 0.000000466 -0.000007023 -0.000014427 17 1 0.000000260 0.000001008 0.000003659 18 6 -0.000007678 -0.000004295 -0.000005927 19 1 -0.000001144 0.000000108 0.000000333 20 6 -0.000000100 0.000005255 -0.000016115 21 1 0.000000656 -0.000000741 0.000004127 22 6 -0.000006436 0.000005359 -0.000004805 23 1 -0.000001192 -0.000000334 0.000000544 ------------------------------------------------------------------- Cartesian Forces: Max 0.000016115 RMS 0.000004373 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000013469 RMS 0.000003035 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 --- -0.02348 0.00351 0.00502 0.00605 0.00847 Eigenvalues --- 0.01246 0.01268 0.01437 0.01553 0.01665 Eigenvalues --- 0.01986 0.02146 0.02218 0.02538 0.02601 Eigenvalues --- 0.03066 0.03430 0.03573 0.03624 0.03884 Eigenvalues --- 0.04251 0.04284 0.04944 0.05151 0.05420 Eigenvalues --- 0.06068 0.07194 0.07527 0.07939 0.08931 Eigenvalues --- 0.10263 0.10330 0.10979 0.11918 0.13571 Eigenvalues --- 0.15563 0.15939 0.17624 0.20708 0.21717 Eigenvalues --- 0.22922 0.25020 0.25723 0.28518 0.30681 Eigenvalues --- 0.31427 0.31663 0.32534 0.33877 0.34929 Eigenvalues --- 0.35999 0.36055 0.36200 0.36213 0.36761 Eigenvalues --- 0.36765 0.36817 0.37099 0.39334 0.43233 Eigenvalues --- 0.55729 0.81313 0.81378 Eigenvectors required to have negative eigenvalues: R7 R4 D2 D4 D69 1 0.57025 0.57024 -0.14771 0.14771 0.14535 D60 D28 D13 R1 D66 1 -0.14535 0.11654 -0.11654 -0.10920 0.10844 RFO step: Lambda0=6.723569838D-09 Lambda=-1.68271721D-08. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00012452 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.66467 0.00001 0.00000 -0.00003 -0.00003 2.66464 R2 2.79741 0.00000 0.00000 0.00000 0.00000 2.79741 R3 2.05259 0.00000 0.00000 0.00000 0.00000 2.05259 R4 4.16606 -0.00001 0.00000 0.00022 0.00022 4.16628 R5 2.79741 0.00000 0.00000 -0.00001 -0.00001 2.79741 R6 2.05259 0.00000 0.00000 0.00000 0.00000 2.05259 R7 4.16607 -0.00001 0.00000 0.00022 0.00022 4.16628 R8 2.81286 0.00000 0.00000 0.00000 0.00000 2.81285 R9 2.31923 0.00000 0.00000 0.00000 0.00000 2.31923 R10 2.54159 0.00000 0.00000 0.00000 0.00000 2.54159 R11 2.05479 0.00000 0.00000 0.00000 0.00000 2.05479 R12 2.81286 0.00000 0.00000 -0.00001 -0.00001 2.81285 R13 2.05479 0.00000 0.00000 0.00000 0.00000 2.05479 R14 2.31923 0.00000 0.00000 0.00000 0.00000 2.31923 R15 2.06238 0.00000 0.00000 0.00000 0.00000 2.06239 R16 2.08362 0.00000 0.00000 0.00000 0.00000 2.08362 R17 2.85758 0.00000 0.00000 -0.00002 -0.00002 2.85756 R18 2.85758 0.00000 0.00000 -0.00002 -0.00002 2.85756 R19 2.04975 0.00000 0.00000 0.00000 0.00000 2.04975 R20 2.65629 0.00000 0.00000 -0.00004 -0.00004 2.65625 R21 2.04927 0.00000 0.00000 0.00000 0.00000 2.04928 R22 2.64421 -0.00001 0.00000 0.00001 0.00001 2.64422 R23 2.04975 0.00000 0.00000 0.00000 0.00000 2.04975 R24 2.65628 0.00000 0.00000 -0.00004 -0.00004 2.65625 R25 2.04927 0.00000 0.00000 0.00000 0.00000 2.04928 A1 2.10666 0.00000 0.00000 0.00000 0.00000 2.10666 A2 2.09242 0.00000 0.00000 0.00002 0.00002 2.09244 A3 1.77606 0.00000 0.00000 -0.00001 -0.00001 1.77606 A4 1.99032 0.00000 0.00000 0.00002 0.00002 1.99034 A5 1.73603 0.00000 0.00000 -0.00007 -0.00007 1.73596 A6 1.59929 0.00000 0.00000 -0.00002 -0.00002 1.59927 A7 2.10666 0.00000 0.00000 0.00001 0.00001 2.10666 A8 2.09242 0.00000 0.00000 0.00002 0.00002 2.09244 A9 1.77606 0.00000 0.00000 -0.00001 -0.00001 1.77606 A10 1.99031 0.00000 0.00000 0.00003 0.00003 1.99034 A11 1.73603 0.00000 0.00000 -0.00007 -0.00007 1.73596 A12 1.59930 0.00000 0.00000 -0.00004 -0.00004 1.59927 A13 2.03345 0.00000 0.00000 0.00000 0.00000 2.03344 A14 2.14287 0.00000 0.00000 0.00001 0.00001 2.14287 A15 2.10685 0.00000 0.00000 0.00000 0.00000 2.10684 A16 2.12899 0.00000 0.00000 0.00000 0.00000 2.12899 A17 2.01868 0.00000 0.00000 0.00000 0.00000 2.01868 A18 2.13417 0.00000 0.00000 0.00000 0.00000 2.13417 A19 2.12899 0.00000 0.00000 0.00000 0.00000 2.12899 A20 2.13417 0.00000 0.00000 0.00000 0.00000 2.13417 A21 2.01868 0.00000 0.00000 0.00000 0.00000 2.01868 A22 2.03345 0.00000 0.00000 0.00000 0.00000 2.03344 A23 2.14287 0.00000 0.00000 0.00001 0.00001 2.14287 A24 2.10685 0.00000 0.00000 0.00000 0.00000 2.10684 A25 1.88270 0.00000 0.00000 0.00000 0.00000 1.88270 A26 2.02699 0.00000 0.00000 0.00000 0.00000 2.02699 A27 2.02699 0.00000 0.00000 0.00000 0.00000 2.02699 A28 1.89062 0.00000 0.00000 -0.00001 -0.00001 1.89060 A29 1.89062 0.00000 0.00000 -0.00001 -0.00001 1.89060 A30 1.73714 0.00000 0.00000 0.00002 0.00002 1.73716 A31 1.55569 0.00001 0.00000 0.00003 0.00003 1.55572 A32 1.77786 0.00000 0.00000 0.00003 0.00003 1.77789 A33 1.77578 -0.00001 0.00000 -0.00018 -0.00018 1.77560 A34 2.15969 0.00000 0.00000 0.00004 0.00004 2.15973 A35 1.85838 0.00000 0.00000 0.00004 0.00004 1.85842 A36 2.16626 0.00000 0.00000 -0.00002 -0.00002 2.16624 A37 2.18469 0.00000 0.00000 0.00000 0.00000 2.18470 A38 1.90026 0.00000 0.00000 0.00000 0.00000 1.90026 A39 2.19029 0.00000 0.00000 -0.00001 -0.00001 2.19029 A40 1.55569 0.00001 0.00000 0.00003 0.00003 1.55572 A41 1.77785 0.00000 0.00000 0.00004 0.00004 1.77789 A42 1.77578 -0.00001 0.00000 -0.00018 -0.00018 1.77560 A43 2.15969 0.00000 0.00000 0.00004 0.00004 2.15973 A44 1.85838 0.00000 0.00000 0.00003 0.00003 1.85842 A45 2.16626 0.00000 0.00000 -0.00002 -0.00002 2.16624 A46 1.90025 0.00000 0.00000 0.00000 0.00000 1.90026 A47 2.19029 0.00000 0.00000 -0.00001 -0.00001 2.19029 A48 2.18470 0.00000 0.00000 0.00000 0.00000 2.18470 D1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D2 -2.66304 0.00000 0.00000 -0.00013 -0.00013 -2.66317 D3 1.89551 0.00000 0.00000 -0.00009 -0.00009 1.89542 D4 2.66305 0.00000 0.00000 0.00012 0.00012 2.66317 D5 0.00002 0.00000 0.00000 -0.00002 -0.00002 0.00000 D6 -1.72462 0.00000 0.00000 0.00003 0.00003 -1.72460 D7 -1.89551 0.00000 0.00000 0.00009 0.00009 -1.89542 D8 1.72464 0.00000 0.00000 -0.00004 -0.00004 1.72460 D9 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D10 -0.17607 0.00000 0.00000 -0.00001 -0.00001 -0.17608 D11 2.95819 0.00000 0.00000 -0.00001 -0.00001 2.95818 D12 -2.86524 0.00000 0.00000 -0.00011 -0.00011 -2.86535 D13 0.26902 0.00000 0.00000 -0.00012 -0.00012 0.26890 D14 1.74095 0.00000 0.00000 -0.00006 -0.00006 1.74089 D15 -1.40797 0.00000 0.00000 -0.00007 -0.00007 -1.40804 D16 -0.68136 0.00000 0.00000 0.00002 0.00002 -0.68134 D17 -2.85193 0.00000 0.00000 -0.00003 -0.00003 -2.85196 D18 1.18011 0.00000 0.00000 0.00005 0.00005 1.18017 D19 -2.85071 0.00000 0.00000 0.00005 0.00005 -2.85067 D20 1.26190 0.00000 0.00000 -0.00001 -0.00001 1.26189 D21 -0.98924 0.00000 0.00000 0.00008 0.00008 -0.98916 D22 1.43058 0.00000 0.00000 0.00003 0.00003 1.43061 D23 -0.73999 0.00000 0.00000 -0.00002 -0.00002 -0.74001 D24 -2.99114 0.00000 0.00000 0.00007 0.00007 -2.99107 D25 0.17608 0.00000 0.00000 0.00000 0.00000 0.17608 D26 -2.95818 0.00000 0.00000 0.00000 0.00000 -2.95818 D27 2.86523 0.00000 0.00000 0.00013 0.00013 2.86535 D28 -0.26903 0.00000 0.00000 0.00013 0.00013 -0.26890 D29 -1.74095 0.00000 0.00000 0.00006 0.00006 -1.74089 D30 1.40798 0.00000 0.00000 0.00006 0.00006 1.40804 D31 0.68135 0.00000 0.00000 -0.00002 -0.00002 0.68134 D32 2.85193 0.00000 0.00000 0.00004 0.00004 2.85196 D33 -1.18011 0.00000 0.00000 -0.00006 -0.00006 -1.18017 D34 2.85071 0.00000 0.00000 -0.00004 -0.00004 2.85067 D35 -1.26191 0.00000 0.00000 0.00001 0.00001 -1.26189 D36 0.98924 0.00000 0.00000 -0.00008 -0.00008 0.98916 D37 -1.43059 0.00000 0.00000 -0.00003 -0.00003 -1.43061 D38 0.73999 0.00000 0.00000 0.00003 0.00003 0.74001 D39 2.99114 0.00000 0.00000 -0.00007 -0.00007 2.99107 D40 -0.17851 0.00000 0.00000 0.00000 0.00000 -0.17851 D41 3.01760 0.00000 0.00000 0.00002 0.00002 3.01762 D42 2.95591 0.00000 0.00000 0.00000 0.00000 2.95590 D43 -0.13117 0.00000 0.00000 0.00002 0.00002 -0.13115 D44 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D45 -3.08347 0.00000 0.00000 0.00002 0.00002 -3.08344 D46 3.08347 0.00000 0.00000 -0.00002 -0.00002 3.08344 D47 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D48 0.17851 0.00000 0.00000 0.00000 0.00000 0.17851 D49 -2.95591 0.00000 0.00000 0.00001 0.00001 -2.95590 D50 -3.01760 0.00000 0.00000 -0.00002 -0.00002 -3.01762 D51 0.13117 0.00000 0.00000 -0.00001 -0.00001 0.13115 D52 0.92103 0.00001 0.00000 0.00005 0.00005 0.92108 D53 -0.88922 0.00000 0.00000 -0.00001 -0.00001 -0.88923 D54 2.70117 0.00000 0.00000 -0.00013 -0.00013 2.70105 D55 3.04173 0.00001 0.00000 0.00004 0.00004 3.04178 D56 1.23148 0.00000 0.00000 -0.00002 -0.00002 1.23147 D57 -1.46131 0.00000 0.00000 -0.00014 -0.00014 -1.46144 D58 -1.26847 0.00001 0.00000 0.00003 0.00003 -1.26844 D59 -3.07872 0.00000 0.00000 -0.00003 -0.00003 -3.07874 D60 0.51168 0.00000 0.00000 -0.00015 -0.00015 0.51153 D61 -0.92102 -0.00001 0.00000 -0.00005 -0.00005 -0.92108 D62 0.88921 0.00000 0.00000 0.00002 0.00002 0.88923 D63 -2.70117 0.00000 0.00000 0.00012 0.00012 -2.70105 D64 -3.04173 -0.00001 0.00000 -0.00004 -0.00004 -3.04178 D65 -1.23150 0.00000 0.00000 0.00003 0.00003 -1.23147 D66 1.46131 0.00000 0.00000 0.00013 0.00013 1.46144 D67 1.26847 -0.00001 0.00000 -0.00003 -0.00003 1.26844 D68 3.07870 0.00000 0.00000 0.00004 0.00004 3.07874 D69 -0.51167 0.00000 0.00000 0.00014 0.00014 -0.51153 D70 -1.73696 0.00000 0.00000 0.00011 0.00011 -1.73686 D71 1.27541 0.00001 0.00000 0.00009 0.00009 1.27550 D72 2.93001 0.00000 0.00000 0.00012 0.00012 2.93013 D73 -0.34081 0.00000 0.00000 0.00010 0.00010 -0.34071 D74 0.23935 0.00000 0.00000 -0.00002 -0.00002 0.23933 D75 -3.03147 0.00000 0.00000 -0.00004 -0.00004 -3.03150 D76 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D77 -3.01185 0.00000 0.00000 0.00002 0.00002 -3.01184 D78 3.01186 0.00000 0.00000 -0.00002 -0.00002 3.01184 D79 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D80 -1.27542 0.00000 0.00000 -0.00008 -0.00008 -1.27550 D81 1.73696 0.00000 0.00000 -0.00010 -0.00010 1.73686 D82 0.34080 0.00000 0.00000 -0.00009 -0.00009 0.34071 D83 -2.93001 0.00000 0.00000 -0.00011 -0.00011 -2.93013 D84 3.03147 0.00000 0.00000 0.00003 0.00003 3.03150 D85 -0.23934 0.00000 0.00000 0.00001 0.00001 -0.23933 Item Value Threshold Converged? Maximum Force 0.000013 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.000710 0.001800 YES RMS Displacement 0.000125 0.001200 YES Predicted change in Energy=-5.051800D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4101 -DE/DX = 0.0 ! ! R2 R(1,6) 1.4803 -DE/DX = 0.0 ! ! R3 R(1,7) 1.0862 -DE/DX = 0.0 ! ! R4 R(1,20) 2.2046 -DE/DX = 0.0 ! ! R5 R(2,3) 1.4803 -DE/DX = 0.0 ! ! R6 R(2,8) 1.0862 -DE/DX = 0.0 ! ! R7 R(2,16) 2.2046 -DE/DX = 0.0 ! ! R8 R(3,4) 1.4885 -DE/DX = 0.0 ! ! R9 R(3,11) 1.2273 -DE/DX = 0.0 ! ! R10 R(4,5) 1.3449 -DE/DX = 0.0 ! ! R11 R(4,9) 1.0873 -DE/DX = 0.0 ! ! R12 R(5,6) 1.4885 -DE/DX = 0.0 ! ! R13 R(5,10) 1.0873 -DE/DX = 0.0 ! ! R14 R(6,12) 1.2273 -DE/DX = 0.0 ! ! R15 R(13,14) 1.0914 -DE/DX = 0.0 ! ! R16 R(13,15) 1.1026 -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) 1.4056 -DE/DX = 0.0 ! ! R21 R(18,19) 1.0844 -DE/DX = 0.0 ! ! R22 R(18,22) 1.3993 -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) 120.7028 -DE/DX = 0.0 ! ! A2 A(2,1,7) 119.8868 -DE/DX = 0.0 ! ! A3 A(2,1,20) 101.7609 -DE/DX = 0.0 ! ! A4 A(6,1,7) 114.0368 -DE/DX = 0.0 ! ! A5 A(6,1,20) 99.4672 -DE/DX = 0.0 ! ! A6 A(7,1,20) 91.6326 -DE/DX = 0.0 ! ! A7 A(1,2,3) 120.7026 -DE/DX = 0.0 ! ! A8 A(1,2,8) 119.8867 -DE/DX = 0.0 ! ! A9 A(1,2,16) 101.761 -DE/DX = 0.0 ! ! A10 A(3,2,8) 114.0366 -DE/DX = 0.0 ! ! A11 A(3,2,16) 99.4675 -DE/DX = 0.0 ! ! A12 A(8,2,16) 91.6333 -DE/DX = 0.0 ! ! A13 A(2,3,4) 116.5079 -DE/DX = 0.0 ! ! A14 A(2,3,11) 122.7772 -DE/DX = 0.0 ! ! A15 A(4,3,11) 120.7135 -DE/DX = 0.0 ! ! A16 A(3,4,5) 121.9823 -DE/DX = 0.0 ! ! A17 A(3,4,9) 115.6616 -DE/DX = 0.0 ! ! A18 A(5,4,9) 122.2792 -DE/DX = 0.0 ! ! A19 A(4,5,6) 121.9822 -DE/DX = 0.0 ! ! A20 A(4,5,10) 122.2792 -DE/DX = 0.0 ! ! A21 A(6,5,10) 115.6616 -DE/DX = 0.0 ! ! A22 A(1,6,5) 116.5079 -DE/DX = 0.0 ! ! A23 A(1,6,12) 122.7772 -DE/DX = 0.0 ! ! A24 A(5,6,12) 120.7135 -DE/DX = 0.0 ! ! A25 A(14,13,15) 107.8709 -DE/DX = 0.0 ! ! A26 A(14,13,16) 116.1379 -DE/DX = 0.0 ! ! A27 A(14,13,20) 116.138 -DE/DX = 0.0 ! ! A28 A(15,13,16) 108.3244 -DE/DX = 0.0 ! ! A29 A(15,13,20) 108.3244 -DE/DX = 0.0 ! ! A30 A(16,13,20) 99.5309 -DE/DX = 0.0 ! ! A31 A(2,16,13) 89.1343 -DE/DX = 0.0 ! ! A32 A(2,16,17) 101.864 -DE/DX = 0.0 ! ! A33 A(2,16,18) 101.7447 -DE/DX = 0.0 ! ! A34 A(13,16,17) 123.7412 -DE/DX = 0.0 ! ! A35 A(13,16,18) 106.4774 -DE/DX = 0.0 ! ! A36 A(17,16,18) 124.1175 -DE/DX = 0.0 ! ! A37 A(16,18,19) 125.1738 -DE/DX = 0.0 ! ! A38 A(16,18,22) 108.8766 -DE/DX = 0.0 ! ! A39 A(19,18,22) 125.4945 -DE/DX = 0.0 ! ! A40 A(1,20,13) 89.1344 -DE/DX = 0.0 ! ! A41 A(1,20,21) 101.8631 -DE/DX = 0.0 ! ! A42 A(1,20,22) 101.7446 -DE/DX = 0.0 ! ! A43 A(13,20,21) 123.7412 -DE/DX = 0.0 ! ! A44 A(13,20,22) 106.4776 -DE/DX = 0.0 ! ! A45 A(21,20,22) 124.1177 -DE/DX = 0.0 ! ! A46 A(18,22,20) 108.8766 -DE/DX = 0.0 ! ! A47 A(18,22,23) 125.4945 -DE/DX = 0.0 ! ! A48 A(20,22,23) 125.1739 -DE/DX = 0.0 ! ! D1 D(6,1,2,3) -0.0002 -DE/DX = 0.0 ! ! D2 D(6,1,2,8) -152.581 -DE/DX = 0.0 ! ! D3 D(6,1,2,16) 108.6045 -DE/DX = 0.0 ! ! D4 D(7,1,2,3) 152.5817 -DE/DX = 0.0 ! ! D5 D(7,1,2,8) 0.001 -DE/DX = 0.0 ! ! D6 D(7,1,2,16) -98.8136 -DE/DX = 0.0 ! ! D7 D(20,1,2,3) -108.6047 -DE/DX = 0.0 ! ! D8 D(20,1,2,8) 98.8146 -DE/DX = 0.0 ! ! D9 D(20,1,2,16) 0.0001 -DE/DX = 0.0 ! ! D10 D(2,1,6,5) -10.0882 -DE/DX = 0.0 ! ! D11 D(2,1,6,12) 169.4917 -DE/DX = 0.0 ! ! D12 D(7,1,6,5) -164.1661 -DE/DX = 0.0 ! ! D13 D(7,1,6,12) 15.4138 -DE/DX = 0.0 ! ! D14 D(20,1,6,5) 99.7493 -DE/DX = 0.0 ! ! D15 D(20,1,6,12) -80.6709 -DE/DX = 0.0 ! ! D16 D(2,1,20,13) -39.0388 -DE/DX = 0.0 ! ! D17 D(2,1,20,21) -163.4034 -DE/DX = 0.0 ! ! D18 D(2,1,20,22) 67.6155 -DE/DX = 0.0 ! ! D19 D(6,1,20,13) -163.3337 -DE/DX = 0.0 ! ! D20 D(6,1,20,21) 72.3017 -DE/DX = 0.0 ! ! D21 D(6,1,20,22) -56.6794 -DE/DX = 0.0 ! ! D22 D(7,1,20,13) 81.9662 -DE/DX = 0.0 ! ! D23 D(7,1,20,21) -42.3983 -DE/DX = 0.0 ! ! D24 D(7,1,20,22) -171.3794 -DE/DX = 0.0 ! ! D25 D(1,2,3,4) 10.0885 -DE/DX = 0.0 ! ! D26 D(1,2,3,11) -169.4913 -DE/DX = 0.0 ! ! D27 D(8,2,3,4) 164.1653 -DE/DX = 0.0 ! ! D28 D(8,2,3,11) -15.4146 -DE/DX = 0.0 ! ! D29 D(16,2,3,4) -99.7491 -DE/DX = 0.0 ! ! D30 D(16,2,3,11) 80.671 -DE/DX = 0.0 ! ! D31 D(1,2,16,13) 39.0387 -DE/DX = 0.0 ! ! D32 D(1,2,16,17) 163.4033 -DE/DX = 0.0 ! ! D33 D(1,2,16,18) -67.6154 -DE/DX = 0.0 ! ! D34 D(3,2,16,13) 163.3335 -DE/DX = 0.0 ! ! D35 D(3,2,16,17) -72.3019 -DE/DX = 0.0 ! ! D36 D(3,2,16,18) 56.6794 -DE/DX = 0.0 ! ! D37 D(8,2,16,13) -81.9665 -DE/DX = 0.0 ! ! D38 D(8,2,16,17) 42.3981 -DE/DX = 0.0 ! ! D39 D(8,2,16,18) 171.3794 -DE/DX = 0.0 ! ! D40 D(2,3,4,5) -10.2281 -DE/DX = 0.0 ! ! D41 D(2,3,4,9) 172.8955 -DE/DX = 0.0 ! ! D42 D(11,3,4,5) 169.3611 -DE/DX = 0.0 ! ! D43 D(11,3,4,9) -7.5154 -DE/DX = 0.0 ! ! D44 D(3,4,5,6) 0.0 -DE/DX = 0.0 ! ! D45 D(3,4,5,10) -176.6696 -DE/DX = 0.0 ! ! D46 D(9,4,5,6) 176.6697 -DE/DX = 0.0 ! ! D47 D(9,4,5,10) 0.0 -DE/DX = 0.0 ! ! D48 D(4,5,6,1) 10.2279 -DE/DX = 0.0 ! ! D49 D(4,5,6,12) -169.3612 -DE/DX = 0.0 ! ! D50 D(10,5,6,1) -172.8956 -DE/DX = 0.0 ! ! D51 D(10,5,6,12) 7.5152 -DE/DX = 0.0 ! ! D52 D(14,13,16,2) 52.7709 -DE/DX = 0.0 ! ! D53 D(14,13,16,17) -50.9486 -DE/DX = 0.0 ! ! D54 D(14,13,16,18) 154.7658 -DE/DX = 0.0 ! ! D55 D(15,13,16,2) 174.2784 -DE/DX = 0.0 ! ! D56 D(15,13,16,17) 70.5589 -DE/DX = 0.0 ! ! D57 D(15,13,16,18) -83.7267 -DE/DX = 0.0 ! ! D58 D(20,13,16,2) -72.6779 -DE/DX = 0.0 ! ! D59 D(20,13,16,17) -176.3975 -DE/DX = 0.0 ! ! D60 D(20,13,16,18) 29.3169 -DE/DX = 0.0 ! ! D61 D(14,13,20,1) -52.7708 -DE/DX = 0.0 ! ! D62 D(14,13,20,21) 50.9478 -DE/DX = 0.0 ! ! D63 D(14,13,20,22) -154.7655 -DE/DX = 0.0 ! ! D64 D(15,13,20,1) -174.2783 -DE/DX = 0.0 ! ! D65 D(15,13,20,21) -70.5598 -DE/DX = 0.0 ! ! D66 D(15,13,20,22) 83.7269 -DE/DX = 0.0 ! ! D67 D(16,13,20,1) 72.678 -DE/DX = 0.0 ! ! D68 D(16,13,20,21) 176.3966 -DE/DX = 0.0 ! ! D69 D(16,13,20,22) -29.3167 -DE/DX = 0.0 ! ! D70 D(2,16,18,19) -99.5206 -DE/DX = 0.0 ! ! D71 D(2,16,18,22) 73.0754 -DE/DX = 0.0 ! ! D72 D(13,16,18,19) 167.8772 -DE/DX = 0.0 ! ! D73 D(13,16,18,22) -19.5268 -DE/DX = 0.0 ! ! D74 D(17,16,18,19) 13.7138 -DE/DX = 0.0 ! ! D75 D(17,16,18,22) -173.6902 -DE/DX = 0.0 ! ! D76 D(16,18,22,20) 0.0004 -DE/DX = 0.0 ! ! D77 D(16,18,22,23) -172.5665 -DE/DX = 0.0 ! ! D78 D(19,18,22,20) 172.5668 -DE/DX = 0.0 ! ! D79 D(19,18,22,23) 0.0 -DE/DX = 0.0 ! ! D80 D(1,20,22,18) -73.0761 -DE/DX = 0.0 ! ! D81 D(1,20,22,23) 99.5203 -DE/DX = 0.0 ! ! D82 D(13,20,22,18) 19.5262 -DE/DX = 0.0 ! ! D83 D(13,20,22,23) -167.8773 -DE/DX = 0.0 ! ! D84 D(21,20,22,18) 173.6906 -DE/DX = 0.0 ! ! D85 D(21,20,22,23) -13.713 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.138815 -0.705039 -1.077071 2 6 0 -0.138821 0.705041 -1.077070 3 6 0 -1.111906 1.460863 -0.256580 4 6 0 -1.910102 0.672464 0.721654 5 6 0 -1.910094 -0.672485 0.721654 6 6 0 -1.111887 -1.460874 -0.256581 7 1 0 0.220732 -1.246270 -1.947470 8 1 0 0.220707 1.246275 -1.947475 9 1 0 -2.531693 1.253153 1.398966 10 1 0 -2.531678 -1.253182 1.398965 11 8 0 -1.273949 2.672458 -0.366121 12 8 0 -1.273913 -2.672472 -0.366121 13 6 0 2.385846 0.000011 -0.658615 14 1 0 2.330582 0.000012 -1.748582 15 1 0 3.451035 0.000014 -0.373829 16 6 0 1.706179 1.154408 0.042863 17 1 0 1.872878 2.195792 -0.210636 18 6 0 1.376649 0.699634 1.331442 19 1 0 1.049073 1.329278 2.151337 20 6 0 1.706186 -1.154389 0.042862 21 1 0 1.872880 -2.195772 -0.210646 22 6 0 1.376648 -0.699622 1.331439 23 1 0 1.049072 -1.329269 2.151331 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.410080 0.000000 3 C 2.512219 1.480326 0.000000 4 C 2.875827 2.524660 1.488500 0.000000 5 C 2.524659 2.875829 2.478955 1.344949 0.000000 6 C 1.480324 2.512220 2.921737 2.478956 1.488501 7 H 1.086186 2.166677 3.458844 3.917425 3.463217 8 H 2.166676 1.086186 2.163569 3.463215 3.917423 9 H 3.961204 3.486691 2.190838 1.087348 2.133827 10 H 3.486690 3.961206 3.481756 2.133827 1.087348 11 O 3.633382 2.380062 1.227281 2.363878 3.574434 12 O 2.380061 3.633384 4.137959 3.574435 2.363880 13 C 2.654452 2.654452 3.811822 4.562072 4.562071 14 H 2.654420 2.654420 4.026274 4.953550 4.953549 15 H 3.725409 3.725410 4.792521 5.513081 5.513079 16 C 2.848824 2.204587 2.850471 3.710865 4.108008 17 H 3.634892 2.649524 3.074275 4.183375 4.838084 18 C 3.173432 2.845630 3.048637 3.342950 3.613479 19 H 3.996516 3.496194 3.238087 3.351435 3.848080 20 C 2.204585 2.848821 3.856274 4.108003 3.710859 21 H 2.649508 3.634879 4.720385 4.838069 4.183357 22 C 2.845624 3.173427 3.658196 3.613472 3.342940 23 H 3.496186 3.996508 4.272318 3.848067 3.351418 6 7 8 9 10 6 C 0.000000 7 H 2.163570 0.000000 8 H 3.458842 2.492545 0.000000 9 H 3.481756 5.002159 4.332946 0.000000 10 H 2.190839 4.332948 5.002156 2.506335 0.000000 11 O 4.137958 4.482317 2.601668 2.590729 4.484201 12 O 1.227282 2.601669 4.482315 4.484203 2.590731 13 C 3.811817 2.811064 2.811078 5.475965 5.475963 14 H 4.026270 2.458504 2.458516 5.926140 5.926139 15 H 4.792515 3.803213 3.803229 6.364448 6.364444 16 C 3.856276 3.454162 2.485259 4.450654 5.059144 17 H 4.720396 4.194517 2.578345 4.783266 5.821198 18 C 3.658199 3.984213 3.519420 3.947921 4.369562 19 H 4.272326 4.911193 4.182504 3.659746 4.478498 20 C 2.850462 2.485244 3.454168 5.059140 4.450648 21 H 3.074251 2.578314 4.194513 5.821185 4.783247 22 C 3.048626 3.519405 3.984218 4.369556 3.947911 23 H 3.238071 4.182488 4.911194 4.478486 3.659729 11 12 13 14 15 11 O 0.000000 12 O 5.344930 0.000000 13 C 4.541104 4.541096 0.000000 14 H 4.695297 4.695291 1.091367 0.000000 15 H 5.428397 5.428386 1.102602 1.773516 0.000000 16 C 3.369407 4.867569 1.512168 2.220762 2.133256 17 H 3.186519 5.798833 2.298973 2.719599 2.708995 18 C 3.714758 4.612841 2.338435 3.299395 2.774977 19 H 3.679424 5.267624 3.383747 4.314925 3.729990 20 C 4.867569 3.369397 1.512166 2.220762 2.133255 21 H 5.798825 3.186490 2.298972 2.719597 2.708999 22 C 4.612841 3.714744 2.338436 3.299395 2.774979 23 H 5.267619 3.679405 3.383747 4.314925 3.729994 16 17 18 19 20 16 C 0.000000 17 H 1.084680 0.000000 18 C 1.405648 2.205161 0.000000 19 H 2.215408 2.647342 1.084429 0.000000 20 C 2.308797 3.363891 2.281761 3.323562 0.000000 21 H 3.363891 4.391564 3.317779 4.322453 1.084680 22 C 2.281764 3.317780 1.399256 2.212685 1.405645 23 H 3.323564 4.322453 2.212684 2.658547 2.215406 21 22 23 21 H 0.000000 22 C 2.205161 0.000000 23 H 2.647343 1.084428 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 0.138815 0.705039 -1.077071 2 6 0 0.138821 -0.705041 -1.077070 3 6 0 1.111905 -1.460864 -0.256580 4 6 0 1.910102 -0.672465 0.721654 5 6 0 1.910094 0.672484 0.721654 6 6 0 1.111888 1.460873 -0.256581 7 1 0 -0.220731 1.246270 -1.947470 8 1 0 -0.220708 -1.246275 -1.947475 9 1 0 2.531692 -1.253154 1.398966 10 1 0 2.531679 1.253181 1.398965 11 8 0 1.273947 -2.672459 -0.366121 12 8 0 1.273914 2.672471 -0.366121 13 6 0 -2.385846 -0.000010 -0.658615 14 1 0 -2.330582 -0.000011 -1.748582 15 1 0 -3.451035 -0.000012 -0.373829 16 6 0 -1.706180 -1.154407 0.042863 17 1 0 -1.872879 -2.195791 -0.210636 18 6 0 -1.376649 -0.699633 1.331442 19 1 0 -1.049074 -1.329278 2.151337 20 6 0 -1.706185 1.154390 0.042862 21 1 0 -1.872879 2.195773 -0.210646 22 6 0 -1.376648 0.699623 1.331439 23 1 0 -1.049071 1.329269 2.151331 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448457 0.9889842 0.6659481 1|1| IMPERIAL COLLEGE-CHWS-264|FTS|RB3LYP|6-31G(d)|C11H10O2|CSW114|03- Nov-2016|0||# opt=(calcfc,ts) freq b3lyp/6-31g(d) geom=connectivity in tegral=grid=ultrafine pop=full gfprint||Title Card Required||0,1|C,-0. 138815,-0.705039,-1.077071|C,-0.138821,0.705041,-1.07707|C,-1.111906,1 .460863,-0.25658|C,-1.910102,0.672464,0.721654|C,-1.910094,-0.672485,0 .721654|C,-1.111887,-1.460874,-0.256581|H,0.220732,-1.24627,-1.94747|H ,0.220707,1.246275,-1.947475|H,-2.531693,1.253153,1.398966|H,-2.531678 ,-1.253182,1.398965|O,-1.273949,2.672458,-0.366121|O,-1.273913,-2.6724 72,-0.366121|C,2.385846,0.000011,-0.658615|H,2.330582,0.000012,-1.7485 82|H,3.451035,0.000014,-0.373829|C,1.706179,1.154408,0.042863|H,1.8728 78,2.195792,-0.210636|C,1.376649,0.699634,1.331442|H,1.049073,1.329278 ,2.151337|C,1.706186,-1.154389,0.042862|H,1.87288,-2.195772,-0.210646| C,1.376648,-0.699622,1.331439|H,1.049072,-1.329269,2.151331||Version=E M64W-G09RevD.01|State=1-A|HF=-575.5291475|RMSD=7.394e-009|RMSF=4.373e- 006|Dipole=1.1922933,0.0000056,0.399314|Polar=0.,0.,0.,0.,0.,0.|Quadru pole=4.4738047,-10.4281629,5.9543581,0.0001048,-3.8371765,-0.0000167|P G=C01 [X(C11H10O2)]||@ IT IS DOUBTED WHETHER A MAN EVER BRINGS HIS FACULTIES TO BEAR WITH THEIR FULL FORCE ON A SUBJECT UNTIL HE WRITES UPON IT. -- CICERO Job cpu time: 0 days 0 hours 16 minutes 23.0 seconds. File lengths (MBytes): RWF= 129 Int= 0 D2E= 0 Chk= 5 Scr= 1 Normal termination of Gaussian 09 at Thu Nov 03 14:57:35 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: "\\icnas3.cc.ic.ac.uk\csw114\Desktop\Y3 computational\exercise 2\EXERCISE 2 endo\endotsMOs.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,-0.138815,-0.705039,-1.077071 C,0,-0.138821,0.705041,-1.07707 C,0,-1.111906,1.460863,-0.25658 C,0,-1.910102,0.672464,0.721654 C,0,-1.910094,-0.672485,0.721654 C,0,-1.111887,-1.460874,-0.256581 H,0,0.220732,-1.24627,-1.94747 H,0,0.220707,1.246275,-1.947475 H,0,-2.531693,1.253153,1.398966 H,0,-2.531678,-1.253182,1.398965 O,0,-1.273949,2.672458,-0.366121 O,0,-1.273913,-2.672472,-0.366121 C,0,2.385846,0.000011,-0.658615 H,0,2.330582,0.000012,-1.748582 H,0,3.451035,0.000014,-0.373829 C,0,1.706179,1.154408,0.042863 H,0,1.872878,2.195792,-0.210636 C,0,1.376649,0.699634,1.331442 H,0,1.049073,1.329278,2.151337 C,0,1.706186,-1.154389,0.042862 H,0,1.87288,-2.195772,-0.210646 C,0,1.376648,-0.699622,1.331439 H,0,1.049072,-1.329269,2.151331 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4101 calculate D2E/DX2 analytically ! ! R2 R(1,6) 1.4803 calculate D2E/DX2 analytically ! ! R3 R(1,7) 1.0862 calculate D2E/DX2 analytically ! ! R4 R(1,20) 2.2046 calculate D2E/DX2 analytically ! ! R5 R(2,3) 1.4803 calculate D2E/DX2 analytically ! ! R6 R(2,8) 1.0862 calculate D2E/DX2 analytically ! ! R7 R(2,16) 2.2046 calculate D2E/DX2 analytically ! ! R8 R(3,4) 1.4885 calculate D2E/DX2 analytically ! ! R9 R(3,11) 1.2273 calculate D2E/DX2 analytically ! ! R10 R(4,5) 1.3449 calculate D2E/DX2 analytically ! ! R11 R(4,9) 1.0873 calculate D2E/DX2 analytically ! ! R12 R(5,6) 1.4885 calculate D2E/DX2 analytically ! ! R13 R(5,10) 1.0873 calculate D2E/DX2 analytically ! ! R14 R(6,12) 1.2273 calculate D2E/DX2 analytically ! ! R15 R(13,14) 1.0914 calculate D2E/DX2 analytically ! ! R16 R(13,15) 1.1026 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) 1.4056 calculate D2E/DX2 analytically ! ! R21 R(18,19) 1.0844 calculate D2E/DX2 analytically ! ! R22 R(18,22) 1.3993 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) 120.7028 calculate D2E/DX2 analytically ! ! A2 A(2,1,7) 119.8868 calculate D2E/DX2 analytically ! ! A3 A(2,1,20) 101.7609 calculate D2E/DX2 analytically ! ! A4 A(6,1,7) 114.0368 calculate D2E/DX2 analytically ! ! A5 A(6,1,20) 99.4672 calculate D2E/DX2 analytically ! ! A6 A(7,1,20) 91.6326 calculate D2E/DX2 analytically ! ! A7 A(1,2,3) 120.7026 calculate D2E/DX2 analytically ! ! A8 A(1,2,8) 119.8867 calculate D2E/DX2 analytically ! ! A9 A(1,2,16) 101.761 calculate D2E/DX2 analytically ! ! A10 A(3,2,8) 114.0366 calculate D2E/DX2 analytically ! ! A11 A(3,2,16) 99.4675 calculate D2E/DX2 analytically ! ! A12 A(8,2,16) 91.6333 calculate D2E/DX2 analytically ! ! A13 A(2,3,4) 116.5079 calculate D2E/DX2 analytically ! ! A14 A(2,3,11) 122.7772 calculate D2E/DX2 analytically ! ! A15 A(4,3,11) 120.7135 calculate D2E/DX2 analytically ! ! A16 A(3,4,5) 121.9823 calculate D2E/DX2 analytically ! ! A17 A(3,4,9) 115.6616 calculate D2E/DX2 analytically ! ! A18 A(5,4,9) 122.2792 calculate D2E/DX2 analytically ! ! A19 A(4,5,6) 121.9822 calculate D2E/DX2 analytically ! ! A20 A(4,5,10) 122.2792 calculate D2E/DX2 analytically ! ! A21 A(6,5,10) 115.6616 calculate D2E/DX2 analytically ! ! A22 A(1,6,5) 116.5079 calculate D2E/DX2 analytically ! ! A23 A(1,6,12) 122.7772 calculate D2E/DX2 analytically ! ! A24 A(5,6,12) 120.7135 calculate D2E/DX2 analytically ! ! A25 A(14,13,15) 107.8709 calculate D2E/DX2 analytically ! ! A26 A(14,13,16) 116.1379 calculate D2E/DX2 analytically ! ! A27 A(14,13,20) 116.138 calculate D2E/DX2 analytically ! ! A28 A(15,13,16) 108.3244 calculate D2E/DX2 analytically ! ! A29 A(15,13,20) 108.3244 calculate D2E/DX2 analytically ! ! A30 A(16,13,20) 99.5309 calculate D2E/DX2 analytically ! ! A31 A(2,16,13) 89.1343 calculate D2E/DX2 analytically ! ! A32 A(2,16,17) 101.864 calculate D2E/DX2 analytically ! ! A33 A(2,16,18) 101.7447 calculate D2E/DX2 analytically ! ! A34 A(13,16,17) 123.7412 calculate D2E/DX2 analytically ! ! A35 A(13,16,18) 106.4774 calculate D2E/DX2 analytically ! ! A36 A(17,16,18) 124.1175 calculate D2E/DX2 analytically ! ! A37 A(16,18,19) 125.1738 calculate D2E/DX2 analytically ! ! A38 A(16,18,22) 108.8766 calculate D2E/DX2 analytically ! ! A39 A(19,18,22) 125.4945 calculate D2E/DX2 analytically ! ! A40 A(1,20,13) 89.1344 calculate D2E/DX2 analytically ! ! A41 A(1,20,21) 101.8631 calculate D2E/DX2 analytically ! ! A42 A(1,20,22) 101.7446 calculate D2E/DX2 analytically ! ! A43 A(13,20,21) 123.7412 calculate D2E/DX2 analytically ! ! A44 A(13,20,22) 106.4776 calculate D2E/DX2 analytically ! ! A45 A(21,20,22) 124.1177 calculate D2E/DX2 analytically ! ! A46 A(18,22,20) 108.8766 calculate D2E/DX2 analytically ! ! A47 A(18,22,23) 125.4945 calculate D2E/DX2 analytically ! ! A48 A(20,22,23) 125.1739 calculate D2E/DX2 analytically ! ! D1 D(6,1,2,3) -0.0002 calculate D2E/DX2 analytically ! ! D2 D(6,1,2,8) -152.581 calculate D2E/DX2 analytically ! ! D3 D(6,1,2,16) 108.6045 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,3) 152.5817 calculate D2E/DX2 analytically ! ! D5 D(7,1,2,8) 0.001 calculate D2E/DX2 analytically ! ! D6 D(7,1,2,16) -98.8136 calculate D2E/DX2 analytically ! ! D7 D(20,1,2,3) -108.6047 calculate D2E/DX2 analytically ! ! D8 D(20,1,2,8) 98.8146 calculate D2E/DX2 analytically ! ! D9 D(20,1,2,16) 0.0001 calculate D2E/DX2 analytically ! ! D10 D(2,1,6,5) -10.0882 calculate D2E/DX2 analytically ! ! D11 D(2,1,6,12) 169.4917 calculate D2E/DX2 analytically ! ! D12 D(7,1,6,5) -164.1661 calculate D2E/DX2 analytically ! ! D13 D(7,1,6,12) 15.4138 calculate D2E/DX2 analytically ! ! D14 D(20,1,6,5) 99.7493 calculate D2E/DX2 analytically ! ! D15 D(20,1,6,12) -80.6709 calculate D2E/DX2 analytically ! ! D16 D(2,1,20,13) -39.0388 calculate D2E/DX2 analytically ! ! D17 D(2,1,20,21) -163.4034 calculate D2E/DX2 analytically ! ! D18 D(2,1,20,22) 67.6155 calculate D2E/DX2 analytically ! ! D19 D(6,1,20,13) -163.3337 calculate D2E/DX2 analytically ! ! D20 D(6,1,20,21) 72.3017 calculate D2E/DX2 analytically ! ! D21 D(6,1,20,22) -56.6794 calculate D2E/DX2 analytically ! ! D22 D(7,1,20,13) 81.9662 calculate D2E/DX2 analytically ! ! D23 D(7,1,20,21) -42.3983 calculate D2E/DX2 analytically ! ! D24 D(7,1,20,22) -171.3794 calculate D2E/DX2 analytically ! ! D25 D(1,2,3,4) 10.0885 calculate D2E/DX2 analytically ! ! D26 D(1,2,3,11) -169.4913 calculate D2E/DX2 analytically ! ! D27 D(8,2,3,4) 164.1653 calculate D2E/DX2 analytically ! ! D28 D(8,2,3,11) -15.4146 calculate D2E/DX2 analytically ! ! D29 D(16,2,3,4) -99.7491 calculate D2E/DX2 analytically ! ! D30 D(16,2,3,11) 80.671 calculate D2E/DX2 analytically ! ! D31 D(1,2,16,13) 39.0387 calculate D2E/DX2 analytically ! ! D32 D(1,2,16,17) 163.4033 calculate D2E/DX2 analytically ! ! D33 D(1,2,16,18) -67.6154 calculate D2E/DX2 analytically ! ! D34 D(3,2,16,13) 163.3335 calculate D2E/DX2 analytically ! ! D35 D(3,2,16,17) -72.3019 calculate D2E/DX2 analytically ! ! D36 D(3,2,16,18) 56.6794 calculate D2E/DX2 analytically ! ! D37 D(8,2,16,13) -81.9665 calculate D2E/DX2 analytically ! ! D38 D(8,2,16,17) 42.3981 calculate D2E/DX2 analytically ! ! D39 D(8,2,16,18) 171.3794 calculate D2E/DX2 analytically ! ! D40 D(2,3,4,5) -10.2281 calculate D2E/DX2 analytically ! ! D41 D(2,3,4,9) 172.8955 calculate D2E/DX2 analytically ! ! D42 D(11,3,4,5) 169.3611 calculate D2E/DX2 analytically ! ! D43 D(11,3,4,9) -7.5154 calculate D2E/DX2 analytically ! ! D44 D(3,4,5,6) 0.0 calculate D2E/DX2 analytically ! ! D45 D(3,4,5,10) -176.6696 calculate D2E/DX2 analytically ! ! D46 D(9,4,5,6) 176.6697 calculate D2E/DX2 analytically ! ! D47 D(9,4,5,10) 0.0 calculate D2E/DX2 analytically ! ! D48 D(4,5,6,1) 10.2279 calculate D2E/DX2 analytically ! ! D49 D(4,5,6,12) -169.3612 calculate D2E/DX2 analytically ! ! D50 D(10,5,6,1) -172.8956 calculate D2E/DX2 analytically ! ! D51 D(10,5,6,12) 7.5152 calculate D2E/DX2 analytically ! ! D52 D(14,13,16,2) 52.7709 calculate D2E/DX2 analytically ! ! D53 D(14,13,16,17) -50.9486 calculate D2E/DX2 analytically ! ! D54 D(14,13,16,18) 154.7658 calculate D2E/DX2 analytically ! ! D55 D(15,13,16,2) 174.2784 calculate D2E/DX2 analytically ! ! D56 D(15,13,16,17) 70.5589 calculate D2E/DX2 analytically ! ! D57 D(15,13,16,18) -83.7267 calculate D2E/DX2 analytically ! ! D58 D(20,13,16,2) -72.6779 calculate D2E/DX2 analytically ! ! D59 D(20,13,16,17) -176.3975 calculate D2E/DX2 analytically ! ! D60 D(20,13,16,18) 29.3169 calculate D2E/DX2 analytically ! ! D61 D(14,13,20,1) -52.7708 calculate D2E/DX2 analytically ! ! D62 D(14,13,20,21) 50.9478 calculate D2E/DX2 analytically ! ! D63 D(14,13,20,22) -154.7655 calculate D2E/DX2 analytically ! ! D64 D(15,13,20,1) -174.2783 calculate D2E/DX2 analytically ! ! D65 D(15,13,20,21) -70.5598 calculate D2E/DX2 analytically ! ! D66 D(15,13,20,22) 83.7269 calculate D2E/DX2 analytically ! ! D67 D(16,13,20,1) 72.678 calculate D2E/DX2 analytically ! ! D68 D(16,13,20,21) 176.3966 calculate D2E/DX2 analytically ! ! D69 D(16,13,20,22) -29.3167 calculate D2E/DX2 analytically ! ! D70 D(2,16,18,19) -99.5206 calculate D2E/DX2 analytically ! ! D71 D(2,16,18,22) 73.0754 calculate D2E/DX2 analytically ! ! D72 D(13,16,18,19) 167.8772 calculate D2E/DX2 analytically ! ! D73 D(13,16,18,22) -19.5268 calculate D2E/DX2 analytically ! ! D74 D(17,16,18,19) 13.7138 calculate D2E/DX2 analytically ! ! D75 D(17,16,18,22) -173.6902 calculate D2E/DX2 analytically ! ! D76 D(16,18,22,20) 0.0004 calculate D2E/DX2 analytically ! ! D77 D(16,18,22,23) -172.5665 calculate D2E/DX2 analytically ! ! D78 D(19,18,22,20) 172.5668 calculate D2E/DX2 analytically ! ! D79 D(19,18,22,23) 0.0 calculate D2E/DX2 analytically ! ! D80 D(1,20,22,18) -73.0761 calculate D2E/DX2 analytically ! ! D81 D(1,20,22,23) 99.5203 calculate D2E/DX2 analytically ! ! D82 D(13,20,22,18) 19.5262 calculate D2E/DX2 analytically ! ! D83 D(13,20,22,23) -167.8773 calculate D2E/DX2 analytically ! ! D84 D(21,20,22,18) 173.6906 calculate D2E/DX2 analytically ! ! D85 D(21,20,22,23) -13.713 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 -0.138815 -0.705039 -1.077071 2 6 0 -0.138821 0.705041 -1.077070 3 6 0 -1.111906 1.460863 -0.256580 4 6 0 -1.910102 0.672464 0.721654 5 6 0 -1.910094 -0.672485 0.721654 6 6 0 -1.111887 -1.460874 -0.256581 7 1 0 0.220732 -1.246270 -1.947470 8 1 0 0.220707 1.246275 -1.947475 9 1 0 -2.531693 1.253153 1.398966 10 1 0 -2.531678 -1.253182 1.398965 11 8 0 -1.273949 2.672458 -0.366121 12 8 0 -1.273913 -2.672472 -0.366121 13 6 0 2.385846 0.000011 -0.658615 14 1 0 2.330582 0.000012 -1.748582 15 1 0 3.451035 0.000014 -0.373829 16 6 0 1.706179 1.154408 0.042863 17 1 0 1.872878 2.195792 -0.210636 18 6 0 1.376649 0.699634 1.331442 19 1 0 1.049073 1.329278 2.151337 20 6 0 1.706186 -1.154389 0.042862 21 1 0 1.872880 -2.195772 -0.210646 22 6 0 1.376648 -0.699622 1.331439 23 1 0 1.049072 -1.329269 2.151331 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.410080 0.000000 3 C 2.512219 1.480326 0.000000 4 C 2.875827 2.524660 1.488500 0.000000 5 C 2.524659 2.875829 2.478955 1.344949 0.000000 6 C 1.480324 2.512220 2.921737 2.478956 1.488501 7 H 1.086186 2.166677 3.458844 3.917425 3.463217 8 H 2.166676 1.086186 2.163569 3.463215 3.917423 9 H 3.961204 3.486691 2.190838 1.087348 2.133827 10 H 3.486690 3.961206 3.481756 2.133827 1.087348 11 O 3.633382 2.380062 1.227281 2.363878 3.574434 12 O 2.380061 3.633384 4.137959 3.574435 2.363880 13 C 2.654452 2.654452 3.811822 4.562072 4.562071 14 H 2.654420 2.654420 4.026274 4.953550 4.953549 15 H 3.725409 3.725410 4.792521 5.513081 5.513079 16 C 2.848824 2.204587 2.850471 3.710865 4.108008 17 H 3.634892 2.649524 3.074275 4.183375 4.838084 18 C 3.173432 2.845630 3.048637 3.342950 3.613479 19 H 3.996516 3.496194 3.238087 3.351435 3.848080 20 C 2.204585 2.848821 3.856274 4.108003 3.710859 21 H 2.649508 3.634879 4.720385 4.838069 4.183357 22 C 2.845624 3.173427 3.658196 3.613472 3.342940 23 H 3.496186 3.996508 4.272318 3.848067 3.351418 6 7 8 9 10 6 C 0.000000 7 H 2.163570 0.000000 8 H 3.458842 2.492545 0.000000 9 H 3.481756 5.002159 4.332946 0.000000 10 H 2.190839 4.332948 5.002156 2.506335 0.000000 11 O 4.137958 4.482317 2.601668 2.590729 4.484201 12 O 1.227282 2.601669 4.482315 4.484203 2.590731 13 C 3.811817 2.811064 2.811078 5.475965 5.475963 14 H 4.026270 2.458504 2.458516 5.926140 5.926139 15 H 4.792515 3.803213 3.803229 6.364448 6.364444 16 C 3.856276 3.454162 2.485259 4.450654 5.059144 17 H 4.720396 4.194517 2.578345 4.783266 5.821198 18 C 3.658199 3.984213 3.519420 3.947921 4.369562 19 H 4.272326 4.911193 4.182504 3.659746 4.478498 20 C 2.850462 2.485244 3.454168 5.059140 4.450648 21 H 3.074251 2.578314 4.194513 5.821185 4.783247 22 C 3.048626 3.519405 3.984218 4.369556 3.947911 23 H 3.238071 4.182488 4.911194 4.478486 3.659729 11 12 13 14 15 11 O 0.000000 12 O 5.344930 0.000000 13 C 4.541104 4.541096 0.000000 14 H 4.695297 4.695291 1.091367 0.000000 15 H 5.428397 5.428386 1.102602 1.773516 0.000000 16 C 3.369407 4.867569 1.512168 2.220762 2.133256 17 H 3.186519 5.798833 2.298973 2.719599 2.708995 18 C 3.714758 4.612841 2.338435 3.299395 2.774977 19 H 3.679424 5.267624 3.383747 4.314925 3.729990 20 C 4.867569 3.369397 1.512166 2.220762 2.133255 21 H 5.798825 3.186490 2.298972 2.719597 2.708999 22 C 4.612841 3.714744 2.338436 3.299395 2.774979 23 H 5.267619 3.679405 3.383747 4.314925 3.729994 16 17 18 19 20 16 C 0.000000 17 H 1.084680 0.000000 18 C 1.405648 2.205161 0.000000 19 H 2.215408 2.647342 1.084429 0.000000 20 C 2.308797 3.363891 2.281761 3.323562 0.000000 21 H 3.363891 4.391564 3.317779 4.322453 1.084680 22 C 2.281764 3.317780 1.399256 2.212685 1.405645 23 H 3.323564 4.322453 2.212684 2.658547 2.215406 21 22 23 21 H 0.000000 22 C 2.205161 0.000000 23 H 2.647343 1.084428 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 0.138815 0.705039 -1.077071 2 6 0 0.138821 -0.705041 -1.077070 3 6 0 1.111905 -1.460864 -0.256580 4 6 0 1.910102 -0.672465 0.721654 5 6 0 1.910094 0.672484 0.721654 6 6 0 1.111888 1.460873 -0.256581 7 1 0 -0.220731 1.246270 -1.947470 8 1 0 -0.220708 -1.246275 -1.947475 9 1 0 2.531692 -1.253154 1.398966 10 1 0 2.531679 1.253181 1.398965 11 8 0 1.273947 -2.672459 -0.366121 12 8 0 1.273914 2.672471 -0.366121 13 6 0 -2.385846 -0.000010 -0.658615 14 1 0 -2.330582 -0.000011 -1.748582 15 1 0 -3.451035 -0.000012 -0.373829 16 6 0 -1.706180 -1.154407 0.042863 17 1 0 -1.872879 -2.195791 -0.210636 18 6 0 -1.376649 -0.699633 1.331442 19 1 0 -1.049074 -1.329278 2.151337 20 6 0 -1.706185 1.154390 0.042862 21 1 0 -1.872879 2.195773 -0.210646 22 6 0 -1.376648 0.699623 1.331439 23 1 0 -1.049071 1.329269 2.151331 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448457 0.9889842 0.6659481 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 0.262322845657 1.332330296787 -2.035369359457 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 0.262322845657 1.332330296787 -2.035369359457 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 0.262322845657 1.332330296787 -2.035369359457 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 0.262322845657 1.332330296787 -2.035369359457 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 0.262332748161 -1.332334728678 -2.035367469731 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 0.262332748161 -1.332334728678 -2.035367469731 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 0.262332748161 -1.332334728678 -2.035367469731 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 0.262332748161 -1.332334728678 -2.035367469731 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 2.101196132543 -2.760632304759 -0.484866074959 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 2.101196132543 -2.760632304759 -0.484866074959 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 2.101196132543 -2.760632304759 -0.484866074959 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 2.101196132543 -2.760632304759 -0.484866074959 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 3.609568775716 -1.270774924103 1.363728278918 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 3.609568775716 -1.270774924103 1.363728278918 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 3.609568775716 -1.270774924103 1.363728278918 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 3.609568775716 -1.270774924103 1.363728278918 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 3.609555027439 1.270810348603 1.363728278918 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 3.609555027439 1.270810348603 1.363728278918 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 3.609555027439 1.270810348603 1.363728278918 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 3.609555027439 1.270810348603 1.363728278918 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 2.101163202886 2.760650457579 -0.484867964685 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 2.101163202886 2.760650457579 -0.484867964685 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 2.101163202886 2.760650457579 -0.484867964685 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 2.101163202886 2.760650457579 -0.484867964685 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 -0.417121965120 2.355109027533 -3.680185095794 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 -0.417121965120 2.355109027533 -3.680185095794 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 -0.417077260070 -2.355118396385 -3.680194544425 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 -0.417077260070 -2.355118396385 -3.680194544425 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 4.784204941080 -2.368118735435 2.643662465435 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 4.784204941080 -2.368118735435 2.643662465435 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 4.784179147333 2.368168011846 2.643660575709 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 4.784179147333 2.368168011846 2.643660575709 0.1612777588D+00 0.1000000000D+01 Atom O11 Shell 33 S 6 bf 99 - 99 2.407411790554 -5.050215203737 -0.691868565282 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 2.407411790554 -5.050215203737 -0.691868565282 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 2.407411790554 -5.050215203737 -0.691868565282 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O11 Shell 36 D 1 bf 108 - 113 2.407411790554 -5.050215203737 -0.691868565282 0.8000000000D+00 0.1000000000D+01 Atom O12 Shell 37 S 6 bf 114 - 114 2.407349203036 5.050238695743 -0.691868565282 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 2.407349203036 5.050238695743 -0.691868565282 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 2.407349203036 5.050238695743 -0.691868565282 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O12 Shell 40 D 1 bf 123 - 128 2.407349203036 5.050238695743 -0.691868565282 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 -4.508595740656 -0.000018542398 -1.244602120794 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 -4.508595740656 -0.000018542398 -1.244602120794 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 -4.508595740656 -0.000018542398 -1.244602120794 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 -4.508595740656 -0.000018542398 -1.244602120794 0.8000000000D+00 0.1000000000D+01 Atom H14 Shell 45 S 3 bf 144 - 144 -4.404161915650 -0.000020488398 -3.304341244677 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 -4.404161915650 -0.000020488398 -3.304341244677 0.1612777588D+00 0.1000000000D+01 Atom H15 Shell 47 S 3 bf 146 - 146 -6.521511230421 -0.000023126918 -0.706434574314 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 -6.521511230421 -0.000023126918 -0.706434574314 0.1612777588D+00 0.1000000000D+01 Atom C16 Shell 49 S 6 bf 148 - 148 -3.224212424593 -2.181513413112 0.080999187450 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 -3.224212424593 -2.181513413112 0.080999187450 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 -3.224212424593 -2.181513413112 0.080999187450 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 52 D 1 bf 157 - 162 -3.224212424593 -2.181513413112 0.080999187450 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 53 S 3 bf 163 - 163 -3.539228941637 -4.149443802535 -0.398044497510 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 -3.539228941637 -4.149443802535 -0.398044497510 0.1612777588D+00 0.1000000000D+01 Atom C18 Shell 55 S 6 bf 165 - 165 -2.601490508937 -1.322115436309 2.516060598038 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 -2.601490508937 -1.322115436309 2.516060598038 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 -2.601490508937 -1.322115436309 2.516060598038 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C18 Shell 58 D 1 bf 174 - 179 -2.601490508937 -1.322115436309 2.516060598038 0.8000000000D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 -1.982462222384 -2.511970491086 4.065437605760 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 -1.982462222384 -2.511970491086 4.065437605760 0.1612777588D+00 0.1000000000D+01 Atom C20 Shell 61 S 6 bf 182 - 182 -3.224223301680 2.181480613322 0.080997297724 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 -3.224223301680 2.181480613322 0.080997297724 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 -3.224223301680 2.181480613322 0.080997297724 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C20 Shell 64 D 1 bf 191 - 196 -3.224223301680 2.181480613322 0.080997297724 0.8000000000D+00 0.1000000000D+01 Atom H21 Shell 65 S 3 bf 197 - 197 -3.539228249258 4.149409452505 -0.398063394771 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 -3.539228249258 4.149409452505 -0.398063394771 0.1612777588D+00 0.1000000000D+01 Atom C22 Shell 67 S 6 bf 199 - 199 -2.601487194380 1.322095193487 2.516054928860 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 -2.601487194380 1.322095193487 2.516054928860 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 -2.601487194380 1.322095193487 2.516054928860 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C22 Shell 70 D 1 bf 208 - 213 -2.601487194380 1.322095193487 2.516054928860 0.8000000000D+00 0.1000000000D+01 Atom H23 Shell 71 S 3 bf 214 - 214 -1.982457625519 2.511955250317 4.065426267403 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 -1.982457625519 2.511955250317 4.065426267403 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 776.2867378819 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: "\\icnas3.cc.ic.ac.uk\csw114\Desktop\Y3 computational\exercise 2\EXERCISE 2 endo\endotsMOs.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) = -575.529147515 A.U. after 1 cycles NFock= 1 Conv=0.45D-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 8.92D+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. 62 vectors produced by pass 5 Test12= 1.08D-14 1.39D-09 XBig12= 2.42D-08 1.90D-05. 12 vectors produced by pass 6 Test12= 1.08D-14 1.39D-09 XBig12= 1.45D-11 5.10D-07. 2 vectors produced by pass 7 Test12= 1.08D-14 1.39D-09 XBig12= 1.06D-14 1.21D-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 -- -19.13269 -19.13268 -10.27483 -10.27482 -10.22603 Alpha occ. eigenvalues -- -10.22601 -10.21467 -10.21386 -10.21357 -10.20937 Alpha occ. eigenvalues -- -10.20887 -10.20766 -10.20712 -1.03152 -1.02943 Alpha occ. eigenvalues -- -0.88968 -0.83371 -0.76996 -0.72882 -0.72786 Alpha occ. eigenvalues -- -0.68577 -0.62325 -0.58489 -0.57991 -0.54924 Alpha occ. eigenvalues -- -0.53778 -0.49216 -0.48232 -0.46759 -0.46721 Alpha occ. eigenvalues -- -0.44677 -0.41700 -0.40750 -0.40696 -0.40006 Alpha occ. eigenvalues -- -0.39570 -0.39320 -0.39081 -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 -- -0.09080 -0.03741 -0.02162 0.04090 0.06874 Alpha virt. eigenvalues -- 0.08016 0.10838 0.12069 0.13553 0.13580 Alpha virt. eigenvalues -- 0.15098 0.15136 0.15962 0.17377 0.17488 Alpha virt. eigenvalues -- 0.19698 0.19869 0.20672 0.21914 0.25273 Alpha virt. eigenvalues -- 0.26948 0.29517 0.31833 0.33572 0.34535 Alpha virt. eigenvalues -- 0.36194 0.37929 0.43080 0.44857 0.48425 Alpha virt. eigenvalues -- 0.48559 0.50351 0.51925 0.52833 0.54429 Alpha virt. eigenvalues -- 0.54786 0.56139 0.56699 0.58446 0.60219 Alpha virt. eigenvalues -- 0.61795 0.62438 0.64902 0.65691 0.66459 Alpha virt. eigenvalues -- 0.67570 0.69245 0.72476 0.72863 0.74567 Alpha virt. eigenvalues -- 0.75002 0.76838 0.79224 0.80418 0.81543 Alpha virt. eigenvalues -- 0.82130 0.82604 0.82684 0.83928 0.84247 Alpha virt. eigenvalues -- 0.86571 0.87300 0.88291 0.89339 0.91575 Alpha virt. eigenvalues -- 0.92346 0.92862 0.94906 0.95853 0.96806 Alpha virt. eigenvalues -- 0.99204 1.01522 1.04639 1.05789 1.06981 Alpha virt. eigenvalues -- 1.09267 1.12489 1.14714 1.18147 1.20917 Alpha virt. eigenvalues -- 1.22388 1.23320 1.27425 1.28330 1.34147 Alpha virt. eigenvalues -- 1.35789 1.40069 1.40792 1.41784 1.42123 Alpha virt. eigenvalues -- 1.43717 1.45359 1.48633 1.52252 1.53992 Alpha virt. eigenvalues -- 1.54516 1.62901 1.64041 1.65242 1.70177 Alpha virt. eigenvalues -- 1.77129 1.77527 1.79462 1.83237 1.84511 Alpha virt. eigenvalues -- 1.84720 1.85949 1.89006 1.90255 1.91044 Alpha virt. eigenvalues -- 1.91981 1.92517 1.94246 1.98307 1.98587 Alpha virt. eigenvalues -- 2.02451 2.04221 2.05221 2.08274 2.09859 Alpha virt. eigenvalues -- 2.10508 2.11488 2.13663 2.20201 2.20450 Alpha virt. eigenvalues -- 2.21757 2.24203 2.27768 2.28224 2.30753 Alpha virt. eigenvalues -- 2.32014 2.34410 2.36827 2.40391 2.45222 Alpha virt. eigenvalues -- 2.47126 2.50715 2.57242 2.57977 2.59740 Alpha virt. eigenvalues -- 2.62870 2.62883 2.63412 2.65579 2.66895 Alpha virt. eigenvalues -- 2.68099 2.71168 2.76370 2.83234 2.91143 Alpha virt. eigenvalues -- 2.95541 2.96966 2.97906 3.01621 3.18202 Alpha virt. eigenvalues -- 3.25400 3.99318 4.03186 4.08890 4.18659 Alpha virt. eigenvalues -- 4.25660 4.30665 4.35409 4.36554 4.52476 Alpha virt. eigenvalues -- 4.54455 4.63816 4.66211 4.94522 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.13269 -19.13268 -10.27483 -10.27482 -10.22603 1 1 C 1S -0.00004 0.00004 0.00144 0.00146 0.00027 2 2S -0.00024 0.00021 -0.00040 -0.00027 0.00121 3 2PX 0.00007 -0.00001 0.00001 -0.00016 -0.00001 4 2PY -0.00004 -0.00009 -0.00011 0.00011 0.00011 5 2PZ -0.00003 0.00005 -0.00006 -0.00010 0.00007 6 3S 0.00394 -0.00100 0.01099 0.00336 -0.00866 7 3PX 0.00069 -0.00050 0.00294 0.00151 0.00176 8 3PY -0.00176 0.00047 -0.00305 -0.00028 0.00245 9 3PZ 0.00155 -0.00081 0.00370 0.00154 -0.00229 10 4XX -0.00002 0.00004 -0.00022 -0.00022 0.00006 11 4YY 0.00003 0.00003 -0.00021 -0.00020 0.00028 12 4ZZ -0.00004 0.00007 -0.00020 -0.00022 0.00020 13 4XY 0.00002 0.00002 -0.00016 -0.00013 -0.00001 14 4XZ 0.00002 -0.00004 -0.00003 -0.00001 0.00015 15 4YZ -0.00001 -0.00002 -0.00010 -0.00007 0.00005 16 2 C 1S 0.00004 0.00004 -0.00143 0.00147 -0.00027 17 2S 0.00025 0.00020 0.00040 -0.00027 -0.00121 18 2PX -0.00007 -0.00001 -0.00001 -0.00016 0.00001 19 2PY -0.00004 0.00009 -0.00011 -0.00010 0.00011 20 2PZ 0.00003 0.00005 0.00006 -0.00010 -0.00007 21 3S -0.00396 -0.00091 -0.01097 0.00343 0.00866 22 3PX -0.00070 -0.00049 -0.00293 0.00153 -0.00176 23 3PY -0.00177 -0.00043 -0.00305 0.00030 0.00245 24 3PZ -0.00157 -0.00077 -0.00369 0.00156 0.00229 25 4XX 0.00002 0.00004 0.00022 -0.00022 -0.00006 26 4YY -0.00003 0.00003 0.00021 -0.00020 -0.00028 27 4ZZ 0.00004 0.00007 0.00020 -0.00022 -0.00020 28 4XY 0.00002 -0.00002 -0.00016 0.00014 -0.00001 29 4XZ -0.00002 -0.00004 0.00003 -0.00001 -0.00015 30 4YZ -0.00001 0.00002 -0.00010 0.00007 0.00005 31 3 C 1S -0.00007 -0.00002 -0.70007 0.70432 0.00002 32 2S 0.00007 0.00026 -0.03521 0.03485 -0.00001 33 2PX -0.00002 -0.00001 0.00001 0.00000 0.00022 34 2PY -0.00005 -0.00002 0.00030 -0.00042 -0.00006 35 2PZ 0.00000 0.00001 -0.00004 0.00004 0.00005 36 3S -0.00072 -0.00179 0.01277 -0.00837 0.00035 37 3PX -0.00069 -0.00061 -0.00144 0.00101 0.00032 38 3PY 0.00561 0.00366 0.00997 -0.00499 -0.00221 39 3PZ 0.00053 0.00014 0.00112 -0.00038 -0.00033 40 4XX -0.00008 -0.00004 0.00636 -0.00657 -0.00015 41 4YY -0.00074 -0.00061 0.00553 -0.00584 -0.00004 42 4ZZ -0.00011 -0.00005 0.00634 -0.00656 -0.00004 43 4XY 0.00010 0.00008 0.00014 -0.00014 0.00003 44 4XZ 0.00006 0.00001 0.00002 0.00009 0.00000 45 4YZ -0.00005 -0.00005 -0.00008 0.00009 -0.00004 46 4 C 1S 0.00001 0.00002 -0.00148 0.00153 0.00009 47 2S 0.00014 0.00013 0.00036 -0.00024 0.00005 48 2PX 0.00002 -0.00001 -0.00006 0.00010 -0.00005 49 2PY -0.00003 0.00009 -0.00011 -0.00006 -0.00002 50 2PZ 0.00002 -0.00001 -0.00007 0.00018 -0.00005 51 3S -0.00338 -0.00019 -0.01124 0.00280 0.00094 52 3PX 0.00129 0.00055 0.00387 -0.00142 -0.00009 53 3PY -0.00167 -0.00067 -0.00326 0.00047 0.00065 54 3PZ 0.00122 0.00056 0.00386 -0.00155 -0.00012 55 4XX -0.00002 0.00001 0.00016 -0.00020 0.00003 56 4YY -0.00009 -0.00003 0.00026 -0.00020 0.00004 57 4ZZ -0.00001 0.00000 0.00025 -0.00024 0.00006 58 4XY -0.00001 0.00000 0.00009 -0.00007 0.00002 59 4XZ -0.00003 -0.00004 0.00004 -0.00001 0.00000 60 4YZ -0.00002 0.00001 0.00017 -0.00015 0.00000 61 5 C 1S -0.00001 0.00002 0.00149 0.00152 -0.00009 62 2S -0.00014 0.00013 -0.00036 -0.00024 -0.00005 63 2PX -0.00002 -0.00001 0.00006 0.00010 0.00005 64 2PY -0.00003 -0.00009 -0.00011 0.00006 -0.00002 65 2PZ -0.00002 -0.00001 0.00008 0.00018 0.00005 66 3S 0.00337 -0.00027 0.01126 0.00273 -0.00094 67 3PX -0.00128 0.00058 -0.00388 -0.00140 0.00009 68 3PY -0.00165 0.00071 -0.00326 -0.00045 0.00065 69 3PZ -0.00120 0.00059 -0.00387 -0.00152 0.00012 70 4XX 0.00002 0.00001 -0.00016 -0.00020 -0.00003 71 4YY 0.00009 -0.00003 -0.00026 -0.00020 -0.00004 72 4ZZ 0.00001 0.00000 -0.00025 -0.00024 -0.00006 73 4XY -0.00001 0.00000 0.00009 0.00007 0.00002 74 4XZ 0.00003 -0.00005 -0.00004 -0.00001 0.00000 75 4YZ -0.00002 -0.00001 0.00017 0.00015 0.00000 76 6 C 1S 0.00007 -0.00002 0.70446 0.69993 -0.00002 77 2S -0.00006 0.00026 0.03543 0.03463 0.00001 78 2PX 0.00002 -0.00001 -0.00001 0.00000 -0.00022 79 2PY -0.00005 0.00002 0.00031 0.00042 -0.00006 80 2PZ 0.00000 0.00001 0.00004 0.00004 -0.00005 81 3S 0.00068 -0.00181 -0.01282 -0.00829 -0.00035 82 3PX 0.00068 -0.00062 0.00145 0.00100 -0.00032 83 3PY 0.00552 -0.00379 0.01000 0.00492 -0.00220 84 3PZ -0.00053 0.00016 -0.00112 -0.00037 0.00033 85 4XX 0.00008 -0.00005 -0.00641 -0.00653 0.00015 86 4YY 0.00073 -0.00063 -0.00557 -0.00581 0.00004 87 4ZZ 0.00011 -0.00006 -0.00638 -0.00652 0.00004 88 4XY 0.00009 -0.00009 0.00014 0.00014 0.00003 89 4XZ -0.00006 0.00001 -0.00002 0.00009 0.00000 90 4YZ -0.00005 0.00005 -0.00008 -0.00009 -0.00004 91 7 H 1S 0.00004 -0.00004 0.00007 0.00005 0.00024 92 2S 0.00053 -0.00036 0.00099 0.00048 -0.00009 93 8 H 1S -0.00004 -0.00004 -0.00007 0.00005 -0.00024 94 2S -0.00054 -0.00034 -0.00099 0.00048 0.00009 95 9 H 1S -0.00007 -0.00005 -0.00014 0.00004 0.00002 96 2S -0.00065 -0.00048 -0.00141 0.00073 0.00006 97 10 H 1S 0.00007 -0.00005 0.00014 0.00004 -0.00002 98 2S 0.00064 -0.00050 0.00141 0.00072 -0.00006 99 11 O 1S 0.71005 0.69368 -0.00008 -0.00002 0.00009 100 2S 0.01794 0.01772 -0.00099 0.00055 0.00039 101 2PX -0.00011 -0.00011 -0.00002 0.00002 -0.00001 102 2PY 0.00079 0.00076 0.00005 -0.00003 0.00004 103 2PZ 0.00007 0.00007 0.00002 -0.00001 -0.00001 104 3S 0.01279 0.01110 0.00708 -0.00386 -0.00251 105 3PX -0.00026 -0.00019 -0.00024 0.00012 0.00013 106 3PY 0.00183 0.00147 0.00240 -0.00174 -0.00064 107 3PZ 0.00016 0.00016 0.00014 -0.00016 -0.00004 108 4XX -0.00608 -0.00581 -0.00069 0.00041 0.00022 109 4YY -0.00564 -0.00543 -0.00009 -0.00010 0.00021 110 4ZZ -0.00609 -0.00582 -0.00069 0.00041 0.00026 111 4XY -0.00007 -0.00006 -0.00007 0.00006 0.00003 112 4XZ -0.00002 -0.00001 0.00004 -0.00005 0.00001 113 4YZ 0.00005 0.00005 0.00006 -0.00007 -0.00001 114 12 O 1S -0.69364 0.71009 0.00008 -0.00003 -0.00009 115 2S -0.01752 0.01814 0.00100 0.00054 -0.00039 116 2PX 0.00011 -0.00011 0.00002 0.00002 0.00001 117 2PY 0.00077 -0.00078 0.00005 0.00003 0.00004 118 2PZ -0.00007 0.00007 -0.00002 -0.00001 0.00001 119 3S -0.01252 0.01139 -0.00711 -0.00382 0.00251 120 3PX 0.00025 -0.00019 0.00024 0.00012 -0.00013 121 3PY 0.00180 -0.00151 0.00241 0.00172 -0.00064 122 3PZ -0.00015 0.00016 -0.00014 -0.00016 0.00004 123 4XX 0.00594 -0.00595 0.00069 0.00040 -0.00022 124 4YY 0.00551 -0.00556 0.00009 -0.00010 -0.00021 125 4ZZ 0.00595 -0.00596 0.00069 0.00040 -0.00026 126 4XY -0.00007 0.00006 -0.00007 -0.00006 0.00003 127 4XZ 0.00002 -0.00001 -0.00004 -0.00005 -0.00001 128 4YZ 0.00004 -0.00005 0.00006 0.00006 -0.00001 129 13 C 1S 0.00000 0.00000 0.00000 -0.00002 0.00001 130 2S 0.00000 0.00003 0.00000 -0.00015 0.00000 131 2PX 0.00000 -0.00001 0.00000 0.00006 0.00000 132 2PY 0.00003 0.00000 0.00008 0.00000 -0.00029 133 2PZ 0.00000 -0.00003 0.00000 0.00003 0.00000 134 3S -0.00001 -0.00045 0.00001 0.00162 0.00001 135 3PX 0.00000 -0.00024 0.00000 0.00043 0.00000 136 3PY -0.00002 0.00000 0.00020 0.00000 -0.00296 137 3PZ 0.00000 -0.00012 0.00000 0.00090 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00003 0.00000 139 4YY 0.00000 0.00001 0.00000 0.00002 0.00000 140 4ZZ 0.00000 -0.00001 0.00000 0.00003 0.00000 141 4XY 0.00000 0.00000 0.00003 0.00000 0.00007 142 4XZ 0.00000 -0.00001 0.00000 0.00003 0.00000 143 4YZ 0.00000 0.00000 0.00005 0.00000 0.00012 144 14 H 1S 0.00000 0.00003 0.00000 -0.00004 0.00000 145 2S 0.00000 -0.00005 0.00000 0.00042 0.00000 146 15 H 1S 0.00000 -0.00001 0.00000 -0.00008 0.00000 147 2S 0.00000 -0.00003 0.00000 0.00001 0.00000 148 16 C 1S -0.00003 -0.00003 0.00005 0.00000 0.70282 149 2S -0.00016 -0.00011 -0.00009 0.00011 0.03643 150 2PX 0.00000 -0.00003 0.00015 -0.00008 0.00022 151 2PY 0.00000 -0.00002 -0.00001 0.00008 0.00053 152 2PZ 0.00000 -0.00001 0.00006 0.00001 -0.00016 153 3S 0.00103 0.00068 0.00181 -0.00128 -0.01957 154 3PX 0.00030 0.00015 0.00013 0.00025 -0.00184 155 3PY 0.00033 0.00033 0.00117 -0.00127 -0.00607 156 3PZ 0.00029 0.00010 0.00074 -0.00041 -0.00147 157 4XX -0.00001 -0.00003 0.00010 0.00001 -0.00610 158 4YY -0.00004 -0.00005 0.00007 -0.00004 -0.00607 159 4ZZ -0.00004 -0.00004 0.00007 -0.00003 -0.00599 160 4XY 0.00002 0.00000 0.00003 0.00002 -0.00007 161 4XZ -0.00001 0.00001 0.00001 -0.00003 0.00005 162 4YZ 0.00001 0.00000 -0.00001 0.00002 0.00008 163 17 H 1S -0.00001 0.00001 0.00004 -0.00007 -0.00024 164 2S 0.00005 0.00007 0.00042 -0.00051 -0.00004 165 18 C 1S 0.00001 0.00000 0.00018 -0.00008 0.00959 166 2S 0.00007 0.00001 0.00044 -0.00017 0.00015 167 2PX -0.00001 -0.00002 0.00011 -0.00009 0.00010 168 2PY 0.00000 0.00003 -0.00005 0.00001 0.00009 169 2PZ 0.00002 0.00003 -0.00008 0.00000 0.00007 170 3S -0.00108 -0.00023 -0.00415 0.00120 0.00979 171 3PX 0.00010 0.00005 -0.00013 0.00003 -0.00114 172 3PY -0.00023 -0.00005 -0.00102 -0.00006 0.00139 173 3PZ 0.00045 0.00015 0.00173 -0.00057 -0.00466 174 4XX 0.00002 -0.00001 0.00021 -0.00008 -0.00020 175 4YY -0.00001 -0.00001 0.00016 -0.00009 -0.00026 176 4ZZ 0.00000 -0.00002 0.00009 -0.00002 -0.00032 177 4XY 0.00000 0.00000 -0.00003 -0.00003 -0.00006 178 4XZ 0.00001 0.00000 -0.00002 0.00002 -0.00010 179 4YZ 0.00000 0.00001 0.00002 0.00000 -0.00006 180 19 H 1S -0.00002 -0.00002 0.00004 -0.00005 0.00002 181 2S -0.00005 -0.00002 -0.00030 0.00004 0.00087 182 20 C 1S 0.00003 -0.00003 -0.00005 0.00001 -0.70187 183 2S 0.00016 -0.00011 0.00009 0.00011 -0.03639 184 2PX 0.00000 -0.00003 -0.00015 -0.00007 -0.00022 185 2PY 0.00000 0.00002 -0.00001 -0.00008 0.00053 186 2PZ 0.00000 -0.00001 -0.00006 0.00001 0.00017 187 3S -0.00101 0.00071 -0.00181 -0.00127 0.01955 188 3PX -0.00030 0.00016 -0.00013 0.00025 0.00184 189 3PY 0.00033 -0.00033 0.00117 0.00127 -0.00607 190 3PZ -0.00028 0.00010 -0.00074 -0.00041 0.00147 191 4XX 0.00001 -0.00003 -0.00010 0.00001 0.00609 192 4YY 0.00004 -0.00005 -0.00007 -0.00004 0.00606 193 4ZZ 0.00004 -0.00004 -0.00007 -0.00003 0.00598 194 4XY 0.00002 0.00000 0.00003 -0.00002 -0.00007 195 4XZ 0.00001 0.00001 -0.00001 -0.00003 -0.00005 196 4YZ 0.00001 0.00000 -0.00001 -0.00002 0.00008 197 21 H 1S 0.00001 0.00001 -0.00004 -0.00007 0.00024 198 2S -0.00005 0.00007 -0.00043 -0.00051 0.00004 199 22 C 1S -0.00001 0.00000 -0.00018 -0.00008 -0.00958 200 2S -0.00007 0.00001 -0.00044 -0.00017 -0.00015 201 2PX 0.00001 -0.00002 -0.00011 -0.00009 -0.00010 202 2PY 0.00000 -0.00003 -0.00005 -0.00001 0.00009 203 2PZ -0.00002 0.00003 0.00008 0.00000 -0.00007 204 3S 0.00107 -0.00026 0.00416 0.00117 -0.00978 205 3PX -0.00010 0.00005 0.00013 0.00003 0.00114 206 3PY -0.00022 0.00006 -0.00102 0.00006 0.00139 207 3PZ -0.00045 0.00016 -0.00174 -0.00056 0.00466 208 4XX -0.00002 -0.00001 -0.00021 -0.00008 0.00020 209 4YY 0.00001 -0.00001 -0.00016 -0.00009 0.00026 210 4ZZ 0.00000 -0.00002 -0.00009 -0.00001 0.00032 211 4XY 0.00000 0.00000 -0.00003 0.00003 -0.00006 212 4XZ -0.00001 0.00000 0.00002 0.00002 0.00010 213 4YZ 0.00000 -0.00001 0.00002 0.00000 -0.00006 214 23 H 1S 0.00002 -0.00002 -0.00004 -0.00005 -0.00002 215 2S 0.00005 -0.00002 0.00030 0.00003 -0.00087 6 7 8 9 10 O O O O O Eigenvalues -- -10.22601 -10.21467 -10.21386 -10.21357 -10.20937 1 1 C 1S -0.00024 -0.00061 0.00004 -0.00047 0.70204 2 2S -0.00075 -0.00022 -0.00004 -0.00014 0.03547 3 2PX -0.00005 -0.00003 0.00002 0.00011 -0.00017 4 2PY 0.00012 0.00000 0.00004 0.00005 0.00003 5 2PZ -0.00009 -0.00005 0.00001 0.00003 0.00028 6 3S 0.00296 0.00045 0.00240 -0.00026 -0.01115 7 3PX -0.00043 -0.00006 0.00074 -0.00070 -0.00024 8 3PY 0.00009 0.00022 -0.00166 -0.00055 -0.00118 9 3PZ 0.00122 0.00019 0.00061 -0.00040 -0.00156 10 4XX -0.00007 -0.00002 -0.00003 0.00002 -0.00645 11 4YY -0.00023 0.00000 0.00000 -0.00005 -0.00644 12 4ZZ -0.00020 -0.00002 -0.00006 -0.00012 -0.00632 13 4XY -0.00005 0.00001 -0.00002 0.00000 0.00005 14 4XZ -0.00016 0.00003 0.00001 -0.00002 0.00009 15 4YZ 0.00006 0.00002 0.00001 -0.00007 -0.00008 16 2 C 1S -0.00024 -0.00061 -0.00004 -0.00047 0.70214 17 2S -0.00075 -0.00022 0.00004 -0.00014 0.03547 18 2PX -0.00005 -0.00003 -0.00002 0.00011 -0.00017 19 2PY -0.00012 0.00000 0.00004 -0.00005 -0.00003 20 2PZ -0.00009 -0.00005 -0.00001 0.00003 0.00028 21 3S 0.00295 0.00045 -0.00240 -0.00026 -0.01116 22 3PX -0.00042 -0.00006 -0.00074 -0.00070 -0.00024 23 3PY -0.00010 -0.00022 -0.00166 0.00055 0.00118 24 3PZ 0.00121 0.00019 -0.00061 -0.00040 -0.00156 25 4XX -0.00007 -0.00002 0.00003 0.00002 -0.00645 26 4YY -0.00023 0.00000 0.00000 -0.00005 -0.00644 27 4ZZ -0.00020 -0.00002 0.00006 -0.00012 -0.00632 28 4XY 0.00005 -0.00001 -0.00002 0.00000 -0.00005 29 4XZ -0.00016 0.00003 -0.00001 -0.00002 0.00009 30 4YZ -0.00006 -0.00002 0.00001 0.00007 0.00008 31 3 C 1S 0.00001 -0.00174 -0.00175 -0.00001 -0.00172 32 2S 0.00001 -0.00032 -0.00037 -0.00007 -0.00045 33 2PX 0.00009 -0.00014 -0.00010 -0.00001 0.00009 34 2PY -0.00004 -0.00009 -0.00007 0.00002 -0.00005 35 2PZ 0.00002 -0.00011 -0.00007 0.00002 0.00015 36 3S 0.00032 0.00249 0.00630 0.00090 0.00288 37 3PX 0.00057 0.00093 0.00156 -0.00039 -0.00202 38 3PY -0.00149 0.00104 0.00279 -0.00022 0.00252 39 3PZ 0.00018 0.00089 0.00179 -0.00060 -0.00135 40 4XX -0.00004 -0.00019 -0.00019 0.00000 -0.00018 41 4YY 0.00003 -0.00013 -0.00014 0.00004 -0.00022 42 4ZZ -0.00001 -0.00021 -0.00025 -0.00001 -0.00024 43 4XY 0.00001 -0.00004 -0.00009 -0.00004 0.00007 44 4XZ -0.00001 -0.00012 -0.00013 0.00002 -0.00010 45 4YZ -0.00003 -0.00006 -0.00006 -0.00001 0.00009 46 4 C 1S 0.00015 0.70178 0.70227 0.00004 0.00054 47 2S 0.00009 0.03476 0.03585 -0.00004 -0.00014 48 2PX -0.00009 -0.00012 -0.00017 0.00000 0.00010 49 2PY -0.00001 -0.00015 0.00042 -0.00001 0.00001 50 2PZ -0.00003 -0.00009 -0.00017 0.00000 0.00007 51 3S -0.00035 -0.00725 -0.01899 0.00033 0.00052 52 3PX 0.00009 0.00059 0.00290 -0.00012 -0.00004 53 3PY 0.00033 0.00078 -0.00329 -0.00007 -0.00060 54 3PZ -0.00001 0.00068 0.00341 -0.00011 -0.00005 55 4XX 0.00005 -0.00684 -0.00652 0.00000 -0.00005 56 4YY 0.00002 -0.00669 -0.00616 0.00000 0.00002 57 4ZZ 0.00009 -0.00683 -0.00653 -0.00001 -0.00007 58 4XY -0.00001 -0.00003 0.00001 0.00000 0.00001 59 4XZ -0.00001 0.00005 0.00007 0.00002 0.00004 60 4YZ -0.00003 -0.00003 0.00001 0.00000 0.00006 61 5 C 1S 0.00015 0.70187 -0.70218 0.00004 0.00054 62 2S 0.00009 0.03476 -0.03585 -0.00004 -0.00014 63 2PX -0.00009 -0.00012 0.00017 0.00000 0.00010 64 2PY 0.00001 0.00015 0.00042 0.00001 -0.00001 65 2PZ -0.00003 -0.00009 0.00017 0.00000 0.00007 66 3S -0.00035 -0.00726 0.01899 0.00033 0.00053 67 3PX 0.00009 0.00059 -0.00290 -0.00012 -0.00004 68 3PY -0.00033 -0.00078 -0.00329 0.00007 0.00059 69 3PZ -0.00001 0.00068 -0.00341 -0.00011 -0.00005 70 4XX 0.00005 -0.00684 0.00652 0.00000 -0.00005 71 4YY 0.00002 -0.00669 0.00616 0.00000 0.00002 72 4ZZ 0.00009 -0.00684 0.00653 -0.00001 -0.00007 73 4XY 0.00001 0.00003 0.00001 0.00000 -0.00001 74 4XZ -0.00001 0.00005 -0.00007 0.00002 0.00004 75 4YZ 0.00003 0.00003 0.00001 0.00000 -0.00005 76 6 C 1S 0.00001 -0.00174 0.00175 -0.00001 -0.00172 77 2S 0.00001 -0.00032 0.00037 -0.00007 -0.00045 78 2PX 0.00009 -0.00014 0.00010 -0.00001 0.00009 79 2PY 0.00004 0.00009 -0.00007 -0.00002 0.00005 80 2PZ 0.00002 -0.00011 0.00007 0.00002 0.00015 81 3S 0.00032 0.00249 -0.00630 0.00090 0.00288 82 3PX 0.00057 0.00093 -0.00156 -0.00039 -0.00202 83 3PY 0.00149 -0.00104 0.00279 0.00022 -0.00252 84 3PZ 0.00018 0.00089 -0.00179 -0.00060 -0.00135 85 4XX -0.00004 -0.00019 0.00019 0.00000 -0.00018 86 4YY 0.00003 -0.00013 0.00014 0.00004 -0.00022 87 4ZZ -0.00001 -0.00021 0.00025 -0.00001 -0.00024 88 4XY -0.00001 0.00004 -0.00009 0.00004 -0.00007 89 4XZ -0.00001 -0.00012 0.00013 0.00002 -0.00010 90 4YZ 0.00003 0.00006 -0.00006 0.00001 -0.00009 91 7 H 1S -0.00004 -0.00002 0.00007 0.00000 -0.00013 92 2S -0.00005 0.00004 0.00027 -0.00038 0.00169 93 8 H 1S -0.00004 -0.00002 -0.00007 0.00000 -0.00013 94 2S -0.00005 0.00004 -0.00027 -0.00038 0.00169 95 9 H 1S 0.00004 -0.00028 -0.00032 -0.00001 -0.00007 96 2S 0.00002 0.00128 0.00030 0.00004 0.00003 97 10 H 1S 0.00004 -0.00028 0.00032 -0.00001 -0.00007 98 2S 0.00002 0.00128 -0.00030 0.00004 0.00003 99 11 O 1S 0.00008 -0.00002 0.00000 0.00001 -0.00009 100 2S 0.00036 -0.00010 -0.00002 0.00006 -0.00044 101 2PX -0.00001 0.00001 0.00002 0.00001 0.00000 102 2PY 0.00004 0.00000 0.00002 0.00000 -0.00003 103 2PZ -0.00001 -0.00001 0.00003 -0.00001 0.00000 104 3S -0.00212 0.00038 0.00012 -0.00046 0.00237 105 3PX 0.00007 -0.00013 -0.00030 0.00003 0.00008 106 3PY -0.00059 0.00008 -0.00018 -0.00017 0.00068 107 3PZ -0.00005 -0.00001 -0.00028 0.00009 0.00024 108 4XX 0.00023 -0.00005 0.00004 0.00003 -0.00029 109 4YY 0.00017 -0.00001 0.00000 0.00000 -0.00014 110 4ZZ 0.00025 -0.00004 0.00001 0.00003 -0.00030 111 4XY 0.00002 -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 0.00008 -0.00002 0.00000 0.00001 -0.00009 115 2S 0.00036 -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 -0.00212 0.00038 -0.00012 -0.00046 0.00237 120 3PX 0.00007 -0.00013 0.00030 0.00003 0.00008 121 3PY 0.00059 -0.00008 -0.00018 0.00017 -0.00068 122 3PZ -0.00005 -0.00002 0.00028 0.00009 0.00024 123 4XX 0.00023 -0.00005 -0.00004 0.00003 -0.00029 124 4YY 0.00017 -0.00001 0.00000 0.00000 -0.00014 125 4ZZ 0.00025 -0.00004 -0.00001 0.00003 -0.00030 126 4XY -0.00002 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 0.01397 -0.00008 0.00000 0.99296 0.00059 130 2S 0.00047 -0.00007 0.00000 0.05056 -0.00011 131 2PX 0.00010 0.00003 0.00000 0.00020 -0.00025 132 2PY 0.00000 0.00000 -0.00004 0.00000 0.00000 133 2PZ -0.00004 0.00001 0.00000 0.00027 -0.00002 134 3S 0.00755 0.00089 0.00000 -0.02046 -0.00134 135 3PX 0.00161 0.00033 0.00000 -0.00177 0.00036 136 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 137 3PZ 0.00205 0.00031 0.00000 -0.00188 -0.00104 138 4XX -0.00019 0.00003 0.00000 -0.00888 -0.00003 139 4YY -0.00058 -0.00001 0.00000 -0.00901 -0.00005 140 4ZZ -0.00032 -0.00001 0.00000 -0.00879 -0.00011 141 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 142 4XZ -0.00013 0.00003 0.00000 -0.00008 -0.00010 143 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 144 14 H 1S -0.00019 -0.00001 0.00000 0.00005 -0.00001 145 2S 0.00011 0.00001 0.00000 0.00242 -0.00053 146 15 H 1S -0.00036 -0.00003 0.00000 0.00008 0.00008 147 2S 0.00016 0.00002 0.00000 0.00258 0.00070 148 16 C 1S 0.70161 -0.00008 -0.00005 -0.01004 -0.00002 149 2S 0.03532 0.00015 0.00007 -0.00057 -0.00066 150 2PX 0.00020 0.00004 0.00003 0.00005 -0.00007 151 2PY 0.00037 0.00002 0.00000 0.00001 -0.00015 152 2PZ 0.00004 0.00000 -0.00005 0.00002 -0.00004 153 3S -0.01452 -0.00124 -0.00063 0.00468 0.00312 154 3PX -0.00056 -0.00026 -0.00029 -0.00126 0.00099 155 3PY -0.00284 -0.00055 -0.00016 0.00151 0.00103 156 3PZ -0.00075 -0.00013 0.00003 -0.00147 -0.00011 157 4XX -0.00637 0.00004 0.00003 -0.00007 -0.00004 158 4YY -0.00596 0.00006 0.00004 -0.00014 -0.00029 159 4ZZ -0.00622 0.00007 0.00006 -0.00006 -0.00017 160 4XY 0.00010 0.00000 0.00000 0.00010 0.00003 161 4XZ 0.00008 -0.00003 -0.00002 -0.00007 -0.00010 162 4YZ 0.00010 0.00000 -0.00001 0.00009 -0.00003 163 17 H 1S -0.00026 0.00000 0.00001 -0.00016 -0.00005 164 2S 0.00116 -0.00009 0.00004 -0.00020 0.00014 165 18 C 1S 0.00987 -0.00053 -0.00044 -0.00086 -0.00299 166 2S 0.00009 -0.00016 -0.00021 -0.00032 -0.00026 167 2PX 0.00005 -0.00015 -0.00011 0.00003 -0.00003 168 2PY 0.00000 -0.00007 0.00002 -0.00001 -0.00006 169 2PZ 0.00005 0.00000 0.00000 0.00005 0.00020 170 3S 0.00431 0.00084 0.00177 0.00046 -0.00057 171 3PX -0.00044 0.00024 0.00048 -0.00021 0.00001 172 3PY -0.00019 0.00009 0.00064 0.00002 0.00021 173 3PZ -0.00211 -0.00036 -0.00023 -0.00047 0.00016 174 4XX -0.00021 -0.00013 -0.00012 -0.00004 -0.00007 175 4YY -0.00014 -0.00006 -0.00004 0.00001 -0.00008 176 4ZZ -0.00023 -0.00007 -0.00007 0.00006 -0.00012 177 4XY -0.00003 -0.00002 0.00003 -0.00006 0.00005 178 4XZ -0.00007 -0.00001 0.00000 0.00011 -0.00001 179 4YZ -0.00016 -0.00002 -0.00003 -0.00001 0.00007 180 19 H 1S -0.00010 -0.00008 -0.00012 -0.00002 0.00009 181 2S 0.00033 0.00010 0.00006 0.00031 -0.00001 182 20 C 1S 0.70256 -0.00008 0.00005 -0.01004 -0.00002 183 2S 0.03537 0.00015 -0.00007 -0.00057 -0.00066 184 2PX 0.00020 0.00004 -0.00003 0.00005 -0.00007 185 2PY -0.00037 -0.00002 0.00000 -0.00001 0.00015 186 2PZ 0.00004 0.00000 0.00005 0.00002 -0.00004 187 3S -0.01454 -0.00124 0.00063 0.00468 0.00311 188 3PX -0.00056 -0.00026 0.00029 -0.00126 0.00099 189 3PY 0.00284 0.00055 -0.00016 -0.00151 -0.00103 190 3PZ -0.00075 -0.00013 -0.00003 -0.00147 -0.00011 191 4XX -0.00638 0.00004 -0.00003 -0.00007 -0.00004 192 4YY -0.00596 0.00006 -0.00004 -0.00014 -0.00029 193 4ZZ -0.00623 0.00007 -0.00006 -0.00006 -0.00017 194 4XY -0.00010 0.00000 0.00000 -0.00010 -0.00003 195 4XZ 0.00008 -0.00003 0.00002 -0.00007 -0.00010 196 4YZ -0.00010 0.00000 -0.00001 -0.00009 0.00003 197 21 H 1S -0.00026 0.00000 -0.00001 -0.00016 -0.00005 198 2S 0.00116 -0.00009 -0.00004 -0.00020 0.00014 199 22 C 1S 0.00988 -0.00053 0.00044 -0.00086 -0.00299 200 2S 0.00009 -0.00016 0.00021 -0.00032 -0.00026 201 2PX 0.00005 -0.00015 0.00011 0.00003 -0.00003 202 2PY 0.00000 0.00007 0.00002 0.00001 0.00006 203 2PZ 0.00005 0.00000 0.00000 0.00005 0.00020 204 3S 0.00433 0.00084 -0.00177 0.00046 -0.00057 205 3PX -0.00044 0.00024 -0.00048 -0.00021 0.00001 206 3PY 0.00019 -0.00009 0.00064 -0.00002 -0.00021 207 3PZ -0.00211 -0.00036 0.00023 -0.00047 0.00016 208 4XX -0.00021 -0.00013 0.00012 -0.00004 -0.00007 209 4YY -0.00014 -0.00006 0.00004 0.00001 -0.00008 210 4ZZ -0.00023 -0.00007 0.00007 0.00006 -0.00012 211 4XY 0.00003 0.00002 0.00003 0.00006 -0.00005 212 4XZ -0.00007 -0.00001 0.00000 0.00011 -0.00001 213 4YZ 0.00016 0.00002 -0.00003 0.00001 -0.00007 214 23 H 1S -0.00010 -0.00008 0.00012 -0.00002 0.00009 215 2S 0.00034 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 -1.03152 -1.02943 1 1 C 1S 0.70254 0.00289 0.00109 -0.01824 -0.01166 2 2S 0.03683 -0.00002 -0.00007 0.03639 0.02295 3 2PX -0.00015 0.00004 -0.00002 0.01421 0.01064 4 2PY -0.00025 0.00009 -0.00002 0.00859 0.01822 5 2PZ 0.00040 -0.00018 -0.00015 0.01051 0.00779 6 3S -0.02851 0.00036 0.00058 0.00859 -0.03309 7 3PX -0.00239 0.00010 0.00035 -0.00586 -0.00253 8 3PY 0.00522 -0.00037 -0.00064 0.01088 0.02761 9 3PZ -0.00580 0.00059 0.00075 -0.00898 -0.01119 10 4XX -0.00617 -0.00016 -0.00010 0.00082 0.00117 11 4YY -0.00575 -0.00014 -0.00008 0.00245 0.00134 12 4ZZ -0.00598 -0.00016 -0.00010 0.00038 0.00039 13 4XY -0.00001 0.00002 0.00004 0.00296 0.00323 14 4XZ 0.00001 -0.00002 0.00001 0.00214 0.00217 15 4YZ 0.00005 0.00003 -0.00003 0.00171 0.00227 16 2 C 1S -0.70244 0.00289 -0.00109 -0.01825 0.01166 17 2S -0.03683 -0.00002 0.00007 0.03639 -0.02294 18 2PX 0.00015 0.00004 0.00002 0.01421 -0.01063 19 2PY -0.00025 -0.00009 -0.00002 -0.00859 0.01822 20 2PZ -0.00040 -0.00018 0.00015 0.01051 -0.00779 21 3S 0.02851 0.00036 -0.00058 0.00858 0.03309 22 3PX 0.00239 0.00010 -0.00035 -0.00586 0.00253 23 3PY 0.00522 0.00037 -0.00064 -0.01088 0.02761 24 3PZ 0.00580 0.00059 -0.00075 -0.00898 0.01119 25 4XX 0.00617 -0.00016 0.00010 0.00082 -0.00117 26 4YY 0.00575 -0.00014 0.00008 0.00245 -0.00134 27 4ZZ 0.00598 -0.00016 0.00010 0.00038 -0.00039 28 4XY -0.00001 -0.00002 0.00004 -0.00296 0.00323 29 4XZ -0.00001 -0.00002 -0.00001 0.00214 -0.00217 30 4YZ 0.00005 -0.00003 -0.00003 -0.00171 0.00227 31 3 C 1S 0.00175 0.00001 0.00001 -0.08712 0.08526 32 2S 0.00064 -0.00004 0.00022 0.16815 -0.16221 33 2PX 0.00005 0.00010 -0.00013 0.01641 -0.01682 34 2PY 0.00003 -0.00006 0.00012 -0.11641 0.12445 35 2PZ -0.00007 -0.00008 0.00010 -0.00991 0.01050 36 3S -0.00836 0.00052 -0.00060 0.05890 -0.05477 37 3PX 0.00321 -0.00010 0.00045 -0.00608 0.00740 38 3PY -0.00597 -0.00079 0.00002 0.04338 -0.06083 39 3PZ 0.00168 0.00019 -0.00031 0.00308 -0.00573 40 4XX 0.00014 -0.00007 0.00016 -0.01293 0.01337 41 4YY 0.00015 -0.00010 0.00022 0.01441 -0.01299 42 4ZZ 0.00025 -0.00005 0.00015 -0.01322 0.01376 43 4XY -0.00002 0.00002 -0.00002 -0.00428 0.00423 44 4XZ 0.00009 0.00002 -0.00005 0.00040 -0.00017 45 4YZ -0.00012 -0.00002 0.00002 0.00293 -0.00283 46 4 C 1S -0.00009 0.00046 -0.00035 -0.01941 0.01206 47 2S -0.00017 -0.00004 0.00012 0.03836 -0.02279 48 2PX -0.00004 0.00012 -0.00011 -0.01060 0.00760 49 2PY -0.00005 -0.00004 -0.00001 -0.00866 0.01938 50 2PZ -0.00007 -0.00003 -0.00003 -0.01468 0.01077 51 3S 0.00553 0.00021 -0.00114 0.01424 0.03277 52 3PX -0.00149 -0.00025 0.00032 0.00771 -0.00913 53 3PY 0.00341 0.00024 -0.00064 -0.01322 0.02918 54 3PZ -0.00130 -0.00008 0.00026 0.00726 -0.00608 55 4XX -0.00003 -0.00011 0.00012 -0.00023 0.00010 56 4YY 0.00001 -0.00008 0.00006 0.00247 -0.00157 57 4ZZ -0.00002 -0.00009 0.00009 0.00099 -0.00126 58 4XY 0.00003 0.00001 0.00003 0.00184 -0.00236 59 4XZ 0.00002 -0.00001 -0.00001 0.00227 -0.00221 60 4YZ -0.00003 0.00002 -0.00004 0.00266 -0.00320 61 5 C 1S 0.00009 0.00046 0.00035 -0.01941 -0.01206 62 2S 0.00017 -0.00004 -0.00012 0.03836 0.02280 63 2PX 0.00004 0.00012 0.00011 -0.01060 -0.00760 64 2PY -0.00005 0.00004 -0.00001 0.00865 0.01938 65 2PZ 0.00007 -0.00003 0.00003 -0.01468 -0.01077 66 3S -0.00553 0.00021 0.00114 0.01424 -0.03277 67 3PX 0.00149 -0.00025 -0.00032 0.00771 0.00913 68 3PY 0.00341 -0.00024 -0.00064 0.01322 0.02918 69 3PZ 0.00130 -0.00008 -0.00026 0.00726 0.00609 70 4XX 0.00003 -0.00011 -0.00012 -0.00023 -0.00010 71 4YY -0.00001 -0.00008 -0.00006 0.00246 0.00157 72 4ZZ 0.00002 -0.00009 -0.00009 0.00099 0.00126 73 4XY 0.00003 -0.00001 0.00003 -0.00183 -0.00236 74 4XZ -0.00002 -0.00001 0.00001 0.00227 0.00221 75 4YZ -0.00003 -0.00002 -0.00004 -0.00266 -0.00320 76 6 C 1S -0.00175 0.00001 -0.00001 -0.08710 -0.08527 77 2S -0.00064 -0.00004 -0.00022 0.16812 0.16224 78 2PX -0.00005 0.00010 0.00013 0.01640 0.01682 79 2PY 0.00003 0.00006 0.00012 0.11639 0.12447 80 2PZ 0.00007 -0.00008 -0.00010 -0.00991 -0.01050 81 3S 0.00836 0.00052 0.00060 0.05889 0.05478 82 3PX -0.00321 -0.00010 -0.00045 -0.00608 -0.00740 83 3PY -0.00597 0.00079 0.00002 -0.04337 -0.06084 84 3PZ -0.00168 0.00019 0.00031 0.00308 0.00573 85 4XX -0.00015 -0.00007 -0.00016 -0.01293 -0.01337 86 4YY -0.00015 -0.00010 -0.00022 0.01440 0.01300 87 4ZZ -0.00025 -0.00005 -0.00015 -0.01322 -0.01376 88 4XY -0.00002 -0.00002 -0.00002 0.00428 0.00423 89 4XZ -0.00009 0.00002 0.00005 0.00040 0.00017 90 4YZ -0.00012 0.00002 0.00002 -0.00293 -0.00283 91 7 H 1S -0.00001 0.00006 0.00006 0.00624 0.00526 92 2S 0.00038 0.00032 0.00053 -0.00447 -0.00321 93 8 H 1S 0.00001 0.00006 -0.00006 0.00624 -0.00526 94 2S -0.00038 0.00032 -0.00053 -0.00447 0.00321 95 9 H 1S 0.00013 0.00005 -0.00003 0.00627 -0.00519 96 2S 0.00072 0.00005 -0.00016 -0.00647 0.00381 97 10 H 1S -0.00013 0.00005 0.00003 0.00627 0.00519 98 2S -0.00072 0.00005 0.00016 -0.00647 -0.00381 99 11 O 1S 0.00008 0.00005 -0.00001 -0.13475 0.13749 100 2S 0.00039 0.00020 -0.00006 0.28940 -0.29232 101 2PX 0.00003 -0.00003 0.00004 -0.01486 0.01506 102 2PY 0.00001 0.00003 -0.00004 0.11031 -0.11167 103 2PZ 0.00002 0.00002 -0.00003 0.01025 -0.01039 104 3S -0.00274 -0.00118 0.00027 0.29551 -0.31691 105 3PX -0.00036 0.00016 -0.00020 -0.00612 0.00706 106 3PY -0.00043 -0.00030 0.00004 0.04432 -0.04918 107 3PZ -0.00040 -0.00014 0.00014 0.00435 -0.00465 108 4XX 0.00022 0.00013 -0.00003 -0.00710 0.00833 109 4YY 0.00020 0.00013 -0.00009 0.00619 -0.00574 110 4ZZ 0.00022 0.00013 -0.00003 -0.00735 0.00862 111 4XY -0.00004 0.00003 -0.00003 -0.00193 0.00208 112 4XZ -0.00003 0.00001 -0.00001 -0.00189 0.00203 113 4YZ -0.00007 -0.00003 0.00003 0.00126 -0.00130 114 12 O 1S -0.00008 0.00005 0.00001 -0.13473 -0.13751 115 2S -0.00039 0.00020 0.00006 0.28935 0.29236 116 2PX -0.00003 -0.00003 -0.00004 -0.01486 -0.01506 117 2PY 0.00001 -0.00003 -0.00004 -0.11029 -0.11169 118 2PZ -0.00002 0.00002 0.00003 0.01025 0.01039 119 3S 0.00274 -0.00118 -0.00027 0.29546 0.31695 120 3PX 0.00036 0.00016 0.00020 -0.00612 -0.00707 121 3PY -0.00043 0.00030 0.00004 -0.04431 -0.04918 122 3PZ 0.00040 -0.00014 -0.00014 0.00435 0.00465 123 4XX -0.00022 0.00013 0.00003 -0.00709 -0.00833 124 4YY -0.00020 0.00013 0.00009 0.00619 0.00574 125 4ZZ -0.00022 0.00013 0.00003 -0.00734 -0.00862 126 4XY -0.00004 -0.00003 -0.00003 0.00192 0.00208 127 4XZ 0.00003 0.00001 0.00001 -0.00189 -0.00203 128 4YZ -0.00007 0.00003 0.00003 -0.00125 -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 0.00003 0.00000 0.00076 0.00000 145 2S 0.00000 0.00049 0.00000 -0.00092 0.00000 146 15 H 1S 0.00000 -0.00015 0.00000 0.00023 0.00000 147 2S 0.00000 -0.00005 0.00000 -0.00072 0.00000 148 16 C 1S 0.00017 -0.01009 0.00983 -0.00276 0.00154 149 2S 0.00121 -0.00064 0.00065 0.00375 -0.00103 150 2PX -0.00006 0.00003 -0.00005 0.00131 -0.00103 151 2PY 0.00015 -0.00005 0.00011 0.00058 0.00026 152 2PZ 0.00008 -0.00018 0.00005 -0.00009 -0.00003 153 3S -0.00563 0.00235 -0.00554 0.00766 -0.01195 154 3PX -0.00174 0.00022 -0.00021 0.00364 -0.00541 155 3PY -0.00240 0.00027 -0.00176 0.00343 -0.00426 156 3PZ -0.00025 0.00109 -0.00168 0.00372 -0.00502 157 4XX 0.00006 0.00006 -0.00004 -0.00016 0.00003 158 4YY 0.00024 0.00008 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 0.00118 0.70190 -0.70208 -0.00172 0.00022 166 2S 0.00024 0.03490 -0.03569 0.00433 -0.00296 167 2PX -0.00002 0.00011 -0.00008 0.00066 -0.00044 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 -0.00734 0.01843 -0.00462 0.02042 171 3PX -0.00009 0.00006 -0.00049 0.00011 -0.00002 172 3PY -0.00043 0.00033 0.00416 -0.00005 0.00557 173 3PZ -0.00087 0.00126 -0.00366 0.00293 -0.00771 174 4XX 0.00007 -0.00673 0.00647 0.00021 -0.00053 175 4YY 0.00006 -0.00676 0.00611 0.00017 0.00007 176 4ZZ 0.00008 -0.00660 0.00629 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 -0.01009 -0.00983 -0.00276 -0.00154 183 2S -0.00121 -0.00064 -0.00065 0.00375 0.00103 184 2PX 0.00006 0.00003 0.00005 0.00131 0.00103 185 2PY 0.00015 0.00005 0.00011 -0.00058 0.00026 186 2PZ -0.00008 -0.00018 -0.00005 -0.00009 0.00003 187 3S 0.00563 0.00235 0.00554 0.00766 0.01195 188 3PX 0.00174 0.00022 0.00021 0.00364 0.00541 189 3PY -0.00240 -0.00027 -0.00176 -0.00343 -0.00426 190 3PZ 0.00025 0.00109 0.00168 0.00372 0.00502 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 0.00290 199 22 C 1S -0.00118 0.70176 0.70222 -0.00172 -0.00022 200 2S -0.00024 0.03490 0.03570 0.00433 0.00296 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 -0.00034 -0.00145 -0.00058 204 3S -0.00129 -0.00734 -0.01843 -0.00462 -0.02042 205 3PX 0.00009 0.00006 0.00049 0.00011 0.00002 206 3PY -0.00043 -0.00034 0.00416 0.00005 0.00557 207 3PZ 0.00087 0.00126 0.00366 0.00293 0.00771 208 4XX -0.00007 -0.00673 -0.00647 0.00021 0.00053 209 4YY -0.00006 -0.00676 -0.00612 0.00017 -0.00007 210 4ZZ -0.00008 -0.00659 -0.00629 0.00009 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 -0.00029 0.00061 0.00027 215 2S -0.00005 0.00111 0.00039 0.00025 -0.00067 16 17 18 19 20 O O O O O Eigenvalues -- -0.88968 -0.83371 -0.76996 -0.72882 -0.72786 1 1 C 1S -0.03587 -0.07983 -0.11492 0.02602 -0.03757 2 2S 0.06786 0.15076 0.22172 -0.05127 0.06885 3 2PX -0.00695 0.03421 0.00456 -0.02021 0.00250 4 2PY -0.01791 -0.04109 -0.05965 0.01218 0.04207 5 2PZ 0.01091 0.02093 -0.01248 -0.00675 0.01445 6 3S 0.04577 0.10840 0.18607 -0.04689 0.09694 7 3PX -0.00218 0.00161 -0.00402 -0.00942 0.00185 8 3PY -0.00152 -0.00480 -0.00307 -0.00133 -0.00059 9 3PZ 0.00139 0.00334 -0.00336 -0.00353 0.01645 10 4XX -0.00121 -0.00442 -0.00793 0.00308 -0.00022 11 4YY 0.00073 0.00173 0.00508 -0.00144 -0.00453 12 4ZZ -0.00097 -0.00323 -0.00517 0.00014 0.00059 13 4XY 0.00017 -0.00056 -0.00012 0.00007 0.00016 14 4XZ 0.00059 0.00549 0.00395 -0.00139 0.00203 15 4YZ -0.00089 -0.00126 -0.00213 0.00012 0.00039 16 2 C 1S -0.03587 -0.07983 -0.11492 0.02601 0.03757 17 2S 0.06786 0.15076 0.22172 -0.05126 -0.06887 18 2PX -0.00695 0.03421 0.00456 -0.02021 -0.00251 19 2PY 0.01791 0.04109 0.05965 -0.01219 0.04207 20 2PZ 0.01091 0.02093 -0.01248 -0.00675 -0.01446 21 3S 0.04577 0.10840 0.18607 -0.04686 -0.09695 22 3PX -0.00218 0.00161 -0.00402 -0.00942 -0.00186 23 3PY 0.00152 0.00480 0.00307 0.00133 -0.00059 24 3PZ 0.00139 0.00334 -0.00336 -0.00353 -0.01645 25 4XX -0.00121 -0.00442 -0.00793 0.00308 0.00022 26 4YY 0.00073 0.00173 0.00508 -0.00144 0.00453 27 4ZZ -0.00097 -0.00323 -0.00517 0.00014 -0.00059 28 4XY -0.00017 0.00056 0.00012 -0.00007 0.00016 29 4XZ 0.00059 0.00549 0.00395 -0.00139 -0.00203 30 4YZ 0.00089 0.00126 0.00213 -0.00012 0.00039 31 3 C 1S -0.00832 -0.04856 -0.00655 0.00747 0.02721 32 2S 0.01661 0.09496 0.01405 -0.01600 -0.05791 33 2PX -0.01295 -0.00480 -0.07197 0.02331 0.02683 34 2PY 0.03223 0.12615 0.01112 -0.01302 -0.04931 35 2PZ -0.00099 0.01719 -0.07319 0.01846 0.00407 36 3S 0.00842 0.06472 0.00799 -0.00682 -0.03411 37 3PX -0.00026 -0.00242 -0.00461 0.00114 -0.00267 38 3PY 0.00680 0.03460 -0.00108 0.00032 0.00240 39 3PZ 0.00050 0.00386 -0.00668 -0.00120 -0.00412 40 4XX 0.00170 0.00136 0.00076 -0.00004 -0.00183 41 4YY -0.00167 -0.00552 -0.00074 0.00073 0.00471 42 4ZZ 0.00108 0.00238 -0.00075 0.00024 -0.00107 43 4XY -0.00050 0.00192 -0.00667 0.00173 0.00000 44 4XZ 0.00151 0.00754 0.00079 0.00009 -0.00282 45 4YZ -0.00057 0.00066 -0.00711 0.00172 0.00066 46 4 C 1S -0.01315 -0.10977 0.10154 -0.02533 0.01448 47 2S 0.02471 0.21196 -0.19953 0.05087 -0.02817 48 2PX -0.00641 -0.02389 -0.01118 0.01092 0.01101 49 2PY 0.00822 0.06447 -0.06333 0.01814 0.01717 50 2PZ -0.00494 -0.02839 -0.01005 0.00744 0.01036 51 3S 0.01562 0.14133 -0.15586 0.04096 -0.03706 52 3PX -0.00126 -0.00142 -0.00501 0.00414 0.00446 53 3PY 0.00083 0.00491 0.00037 -0.00082 -0.00857 54 3PZ -0.00016 -0.00148 -0.00516 0.00247 0.00117 55 4XX -0.00027 -0.00628 0.00686 -0.00228 -0.00058 56 4YY 0.00017 0.00375 -0.00560 0.00174 0.00182 57 4ZZ -0.00060 -0.00466 0.00595 -0.00163 -0.00047 58 4XY -0.00024 -0.00123 0.00129 -0.00031 -0.00076 59 4XZ 0.00098 0.00687 -0.00351 0.00073 -0.00208 60 4YZ -0.00027 -0.00142 0.00131 -0.00046 -0.00053 61 5 C 1S -0.01315 -0.10977 0.10154 -0.02533 -0.01449 62 2S 0.02471 0.21196 -0.19953 0.05086 0.02818 63 2PX -0.00641 -0.02389 -0.01118 0.01092 -0.01101 64 2PY -0.00822 -0.06447 0.06333 -0.01814 0.01716 65 2PZ -0.00494 -0.02839 -0.01005 0.00744 -0.01035 66 3S 0.01562 0.14133 -0.15586 0.04095 0.03707 67 3PX -0.00126 -0.00142 -0.00501 0.00414 -0.00446 68 3PY -0.00083 -0.00491 -0.00037 0.00082 -0.00857 69 3PZ -0.00016 -0.00148 -0.00516 0.00247 -0.00117 70 4XX -0.00027 -0.00628 0.00686 -0.00228 0.00058 71 4YY 0.00017 0.00375 -0.00560 0.00174 -0.00182 72 4ZZ -0.00060 -0.00466 0.00595 -0.00163 0.00047 73 4XY 0.00024 0.00123 -0.00129 0.00031 -0.00076 74 4XZ 0.00098 0.00687 -0.00351 0.00073 0.00208 75 4YZ 0.00027 0.00142 -0.00131 0.00046 -0.00053 76 6 C 1S -0.00832 -0.04856 -0.00655 0.00748 -0.02721 77 2S 0.01661 0.09496 0.01405 -0.01601 0.05790 78 2PX -0.01295 -0.00479 -0.07197 0.02332 -0.02682 79 2PY -0.03223 -0.12615 -0.01112 0.01303 -0.04931 80 2PZ -0.00099 0.01719 -0.07319 0.01847 -0.00406 81 3S 0.00842 0.06472 0.00799 -0.00683 0.03411 82 3PX -0.00026 -0.00242 -0.00461 0.00114 0.00267 83 3PY -0.00680 -0.03460 0.00108 -0.00032 0.00240 84 3PZ 0.00050 0.00386 -0.00668 -0.00120 0.00412 85 4XX 0.00170 0.00136 0.00076 -0.00004 0.00183 86 4YY -0.00167 -0.00552 -0.00074 0.00073 -0.00471 87 4ZZ 0.00108 0.00238 -0.00075 0.00024 0.00107 88 4XY 0.00050 -0.00192 0.00667 -0.00173 0.00000 89 4XZ 0.00151 0.00754 0.00079 0.00009 0.00282 90 4YZ 0.00057 -0.00066 0.00711 -0.00172 0.00066 91 7 H 1S 0.01578 0.03088 0.06606 -0.00920 0.02926 92 2S 0.00130 0.00136 0.00989 0.00063 0.01138 93 8 H 1S 0.01578 0.03088 0.06606 -0.00920 -0.02926 94 2S 0.00130 0.00136 0.00989 0.00063 -0.01138 95 9 H 1S 0.00389 0.04402 -0.05765 0.01759 -0.00860 96 2S -0.00008 0.00249 -0.00791 0.00315 -0.00287 97 10 H 1S 0.00389 0.04402 -0.05765 0.01758 0.00860 98 2S -0.00008 0.00249 -0.00791 0.00315 0.00287 99 11 O 1S 0.01449 0.04500 0.00398 -0.00407 -0.02165 100 2S -0.03327 -0.10319 -0.00840 0.00913 0.04814 101 2PX -0.00060 0.00417 -0.01544 0.00538 0.00671 102 2PY -0.00744 -0.01319 -0.00056 -0.00061 -0.00274 103 2PZ -0.00131 -0.00006 -0.01650 0.00440 0.00190 104 3S -0.02724 -0.08975 -0.01212 0.01101 0.06151 105 3PX -0.00113 0.00046 -0.00605 0.00258 0.00479 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 0.00030 -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 0.01449 0.04500 0.00398 -0.00407 0.02165 115 2S -0.03327 -0.10319 -0.00840 0.00914 -0.04813 116 2PX -0.00060 0.00417 -0.01544 0.00538 -0.00671 117 2PY 0.00744 0.01319 0.00056 0.00061 -0.00274 118 2PZ -0.00131 -0.00006 -0.01650 0.00440 -0.00190 119 3S -0.02724 -0.08975 -0.01212 0.01102 -0.06150 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 0.00221 -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 -0.09308 0.02436 -0.01226 -0.14468 -0.00002 130 2S 0.17390 -0.04481 0.02499 0.28274 0.00003 131 2PX 0.03935 -0.00313 0.00964 -0.00892 0.00000 132 2PY 0.00000 0.00000 0.00000 -0.00001 0.10429 133 2PZ 0.05384 -0.01905 -0.01862 -0.00821 0.00000 134 3S 0.11464 -0.04100 0.01525 0.26814 0.00003 135 3PX -0.00166 0.00074 0.00421 -0.00446 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.01785 137 3PZ 0.00918 -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 0.00000 140 4ZZ 0.00259 -0.00100 -0.00104 -0.00015 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00767 142 4XZ 0.00501 -0.00147 -0.00139 -0.00226 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00954 144 14 H 1S 0.03662 -0.00721 0.01701 0.10037 0.00001 145 2S 0.00428 0.00022 0.00761 0.02264 0.00000 146 15 H 1S 0.04288 -0.01423 0.00322 0.09857 0.00001 147 2S -0.00120 -0.00049 0.00237 0.02374 0.00000 148 16 C 1S -0.09520 0.02225 0.00309 -0.02963 0.12225 149 2S 0.17681 -0.04252 -0.00700 0.05888 -0.24014 150 2PX -0.00500 0.01163 0.00576 -0.06349 -0.00529 151 2PY 0.06919 -0.01822 -0.00578 0.03151 0.01536 152 2PZ 0.03151 -0.01605 -0.03780 -0.10106 -0.05001 153 3S 0.13382 -0.02759 0.00094 0.04556 -0.22513 154 3PX 0.00297 0.00050 0.00208 -0.01248 -0.00094 155 3PY 0.02128 -0.00217 0.00078 -0.00099 -0.00117 156 3PZ 0.00345 -0.00202 -0.00714 -0.01813 -0.00741 157 4XX -0.00836 0.00302 0.00189 -0.00015 0.00878 158 4YY 0.00516 -0.00153 0.00002 0.00629 0.00168 159 4ZZ -0.00093 -0.00021 -0.00183 -0.00674 0.00024 160 4XY -0.00145 0.00108 0.00013 -0.00657 -0.00091 161 4XZ 0.00405 -0.00153 -0.00157 0.00139 -0.00383 162 4YZ 0.00293 -0.00135 -0.00304 -0.00898 -0.00403 163 17 H 1S 0.03229 -0.00719 0.00285 0.02148 -0.08548 164 2S 0.00481 -0.00096 0.00153 0.00348 -0.02214 165 18 C 1S -0.09637 0.02923 0.04103 0.10149 0.07547 166 2S 0.18363 -0.05530 -0.07957 -0.20055 -0.15142 167 2PX -0.01586 0.01048 0.00334 -0.02096 0.01337 168 2PY 0.04706 -0.01552 -0.02456 -0.06281 0.08646 169 2PZ -0.06365 0.01444 0.00099 -0.02752 0.06501 170 3S 0.10608 -0.03834 -0.06061 -0.16208 -0.09823 171 3PX 0.00039 0.00122 0.00036 -0.00782 -0.00540 172 3PY 0.00193 -0.00146 -0.00386 -0.00442 0.02849 173 3PZ -0.00040 0.00236 0.00048 -0.01050 -0.00906 174 4XX -0.00909 0.00361 0.00364 0.00929 0.00516 175 4YY 0.00264 -0.00076 -0.00191 -0.00596 0.00870 176 4ZZ 0.00269 -0.00009 0.00147 0.00504 -0.00740 177 4XY -0.00112 0.00059 0.00062 0.00093 -0.00004 178 4XZ 0.00477 -0.00205 -0.00188 -0.00091 -0.00481 179 4YZ -0.00284 0.00082 0.00128 0.00292 -0.00341 180 19 H 1S 0.03089 -0.01003 -0.02169 -0.06662 -0.05081 181 2S -0.00184 -0.00036 -0.00539 -0.01427 -0.00533 182 20 C 1S -0.09520 0.02225 0.00309 -0.02960 -0.12226 183 2S 0.17681 -0.04252 -0.00700 0.05882 0.24016 184 2PX -0.00500 0.01163 0.00576 -0.06349 0.00528 185 2PY -0.06919 0.01822 0.00578 -0.03151 0.01536 186 2PZ 0.03151 -0.01605 -0.03780 -0.10108 0.04998 187 3S 0.13382 -0.02759 0.00094 0.04551 0.22515 188 3PX 0.00297 0.00050 0.00208 -0.01248 0.00094 189 3PY -0.02128 0.00217 -0.00078 0.00099 -0.00117 190 3PZ 0.00345 -0.00202 -0.00714 -0.01813 0.00741 191 4XX -0.00836 0.00302 0.00189 -0.00015 -0.00878 192 4YY 0.00516 -0.00153 0.00002 0.00629 -0.00168 193 4ZZ -0.00093 -0.00021 -0.00183 -0.00674 -0.00025 194 4XY 0.00145 -0.00108 -0.00013 0.00657 -0.00090 195 4XZ 0.00405 -0.00153 -0.00157 0.00139 0.00383 196 4YZ -0.00293 0.00135 0.00304 0.00898 -0.00403 197 21 H 1S 0.03229 -0.00719 0.00285 0.02146 0.08549 198 2S 0.00481 -0.00096 0.00153 0.00347 0.02214 199 22 C 1S -0.09637 0.02923 0.04103 0.10151 -0.07545 200 2S 0.18363 -0.05530 -0.07957 -0.20059 0.15137 201 2PX -0.01586 0.01048 0.00334 -0.02095 -0.01337 202 2PY -0.04706 0.01552 0.02456 0.06279 0.08647 203 2PZ -0.06365 0.01444 0.00099 -0.02750 -0.06502 204 3S 0.10608 -0.03834 -0.06061 -0.16210 0.09819 205 3PX 0.00039 0.00122 0.00036 -0.00782 0.00540 206 3PY -0.00193 0.00146 0.00386 0.00442 0.02849 207 3PZ -0.00040 0.00236 0.00048 -0.01051 0.00906 208 4XX -0.00909 0.00361 0.00364 0.00929 -0.00515 209 4YY 0.00264 -0.00076 -0.00191 -0.00596 -0.00870 210 4ZZ 0.00269 -0.00009 0.00147 0.00503 0.00740 211 4XY 0.00112 -0.00059 -0.00062 -0.00093 -0.00004 212 4XZ 0.00477 -0.00205 -0.00188 -0.00091 0.00481 213 4YZ 0.00284 -0.00082 -0.00128 -0.00292 -0.00341 214 23 H 1S 0.03089 -0.01003 -0.02169 -0.06663 0.05079 215 2S -0.00184 -0.00036 -0.00539 -0.01427 0.00533 21 22 23 24 25 O O O O O Eigenvalues -- -0.68577 -0.62325 -0.58489 -0.57991 -0.54924 1 1 C 1S 0.06434 -0.08297 0.04039 -0.01132 0.00699 2 2S -0.12672 0.16612 -0.08184 0.02504 -0.01647 3 2PX -0.04952 0.01526 0.11609 0.01027 -0.02908 4 2PY -0.07442 0.10940 0.07708 -0.03449 -0.01087 5 2PZ -0.02880 -0.01491 0.12845 -0.03193 -0.01386 6 3S -0.12958 0.17666 -0.08621 0.00984 -0.00908 7 3PX -0.00303 0.00489 0.03902 -0.00116 -0.01684 8 3PY -0.00339 0.04550 0.01382 -0.01266 -0.00634 9 3PZ -0.00123 -0.00415 0.04074 -0.01729 -0.00039 10 4XX -0.00003 -0.00294 0.00722 -0.00160 0.00136 11 4YY 0.00762 -0.00644 -0.00484 0.00126 0.00037 12 4ZZ -0.00177 0.00098 0.00091 -0.00107 -0.00068 13 4XY -0.00375 0.00166 0.00182 -0.00006 -0.00261 14 4XZ -0.00753 0.00502 0.00350 0.00153 -0.00138 15 4YZ -0.00081 -0.00319 0.00352 -0.00097 -0.00114 16 2 C 1S -0.06434 0.08297 0.04039 -0.01132 -0.00699 17 2S 0.12672 -0.16612 -0.08184 0.02504 0.01647 18 2PX 0.04953 -0.01526 0.11609 0.01027 0.02908 19 2PY -0.07442 0.10940 -0.07708 0.03449 -0.01087 20 2PZ 0.02880 0.01491 0.12845 -0.03193 0.01386 21 3S 0.12958 -0.17666 -0.08621 0.00984 0.00908 22 3PX 0.00303 -0.00489 0.03901 -0.00116 0.01684 23 3PY -0.00339 0.04550 -0.01382 0.01266 -0.00634 24 3PZ 0.00123 0.00415 0.04074 -0.01729 0.00039 25 4XX 0.00003 0.00294 0.00722 -0.00160 -0.00136 26 4YY -0.00762 0.00644 -0.00484 0.00126 -0.00037 27 4ZZ 0.00177 -0.00098 0.00091 -0.00107 0.00068 28 4XY -0.00374 0.00166 -0.00182 0.00006 -0.00261 29 4XZ 0.00753 -0.00502 0.00350 0.00153 0.00138 30 4YZ -0.00081 -0.00319 -0.00352 0.00097 -0.00114 31 3 C 1S -0.08912 0.00006 -0.08336 0.00494 -0.01110 32 2S 0.18805 -0.00075 0.18285 -0.01203 0.02320 33 2PX -0.01144 0.14027 -0.00390 0.01390 -0.03022 34 2PY 0.14373 0.00380 0.09932 -0.00195 0.00978 35 2PZ 0.01969 0.14874 0.01868 -0.00742 -0.02647 36 3S 0.15404 0.00400 0.14523 -0.00444 0.02823 37 3PX -0.00425 0.01208 -0.00532 -0.00035 -0.00716 38 3PY 0.03082 0.00317 0.03678 0.00819 0.00462 39 3PZ 0.00449 0.01632 0.00521 -0.00823 0.00021 40 4XX 0.00101 -0.00069 -0.00477 -0.00103 -0.00105 41 4YY -0.01256 -0.00016 -0.00760 0.00119 -0.00069 42 4ZZ 0.00222 0.00118 -0.00515 0.00074 -0.00090 43 4XY 0.00131 0.00469 0.00067 -0.00074 -0.00079 44 4XZ 0.00978 0.00016 0.00092 0.00026 -0.00064 45 4YZ -0.00004 0.00481 0.00007 -0.00054 -0.00061 46 4 C 1S -0.07119 -0.08239 0.03995 -0.00006 0.01509 47 2S 0.14246 0.16774 -0.08176 -0.00079 -0.03138 48 2PX -0.03305 0.00341 -0.12366 0.00430 -0.01248 49 2PY -0.09104 -0.11759 -0.09551 0.00337 0.02298 50 2PZ -0.03937 -0.00127 -0.14086 0.00260 -0.00978 51 3S 0.13818 0.15878 -0.07637 0.00373 -0.03249 52 3PX -0.00265 0.00278 -0.03905 0.00092 -0.00264 53 3PY -0.00929 -0.05493 -0.01748 -0.00232 0.01382 54 3PZ -0.00193 0.00040 -0.04543 0.00172 -0.00037 55 4XX -0.00003 -0.00206 0.00408 -0.00039 0.00077 56 4YY -0.00715 -0.00523 -0.00495 0.00006 0.00057 57 4ZZ 0.00192 -0.00031 0.00529 -0.00004 0.00028 58 4XY 0.00181 -0.00160 0.00294 -0.00023 0.00142 59 4XZ 0.00855 0.00639 0.00213 -0.00041 -0.00111 60 4YZ 0.00219 -0.00116 0.00326 -0.00004 0.00115 61 5 C 1S 0.07119 0.08239 0.03995 -0.00006 -0.01509 62 2S -0.14246 -0.16774 -0.08176 -0.00079 0.03138 63 2PX 0.03306 -0.00341 -0.12366 0.00430 0.01247 64 2PY -0.09104 -0.11759 0.09551 -0.00337 0.02298 65 2PZ 0.03937 0.00127 -0.14086 0.00260 0.00978 66 3S -0.13818 -0.15878 -0.07637 0.00372 0.03249 67 3PX 0.00265 -0.00278 -0.03905 0.00092 0.00264 68 3PY -0.00929 -0.05493 0.01748 0.00232 0.01382 69 3PZ 0.00193 -0.00040 -0.04543 0.00172 0.00037 70 4XX 0.00003 0.00206 0.00408 -0.00039 -0.00077 71 4YY 0.00715 0.00523 -0.00495 0.00006 -0.00057 72 4ZZ -0.00192 0.00031 0.00529 -0.00004 -0.00028 73 4XY 0.00181 -0.00160 -0.00294 0.00023 0.00142 74 4XZ -0.00855 -0.00639 0.00213 -0.00041 0.00111 75 4YZ 0.00219 -0.00116 -0.00326 0.00004 0.00115 76 6 C 1S 0.08912 -0.00006 -0.08336 0.00494 0.01110 77 2S -0.18805 0.00076 0.18285 -0.01203 -0.02320 78 2PX 0.01144 -0.14027 -0.00390 0.01390 0.03022 79 2PY 0.14373 0.00380 -0.09932 0.00195 0.00978 80 2PZ -0.01969 -0.14874 0.01868 -0.00742 0.02647 81 3S -0.15405 -0.00400 0.14523 -0.00444 -0.02823 82 3PX 0.00425 -0.01208 -0.00532 -0.00035 0.00716 83 3PY 0.03082 0.00317 -0.03678 -0.00819 0.00462 84 3PZ -0.00449 -0.01632 0.00521 -0.00823 -0.00021 85 4XX -0.00101 0.00069 -0.00477 -0.00103 0.00105 86 4YY 0.01256 0.00016 -0.00760 0.00119 0.00069 87 4ZZ -0.00222 -0.00118 -0.00515 0.00074 0.00090 88 4XY 0.00131 0.00469 -0.00067 0.00074 -0.00079 89 4XZ -0.00978 -0.00016 0.00092 0.00026 0.00064 90 4YZ -0.00004 0.00481 -0.00007 0.00054 -0.00061 91 7 H 1S -0.04407 0.09181 -0.08188 0.01201 0.00471 92 2S -0.00871 0.03386 -0.03959 0.00600 0.00786 93 8 H 1S 0.04407 -0.09181 -0.08188 0.01201 -0.00472 94 2S 0.00871 -0.03386 -0.03959 0.00600 -0.00786 95 9 H 1S 0.05316 0.09316 -0.08258 0.00068 -0.02652 96 2S 0.01233 0.03293 -0.03917 0.00014 -0.01339 97 10 H 1S -0.05316 -0.09316 -0.08258 0.00068 0.02651 98 2S -0.01234 -0.03293 -0.03917 0.00014 0.01339 99 11 O 1S 0.05773 0.00121 0.03811 -0.00461 0.00426 100 2S -0.12983 -0.00293 -0.08740 0.00961 -0.00916 101 2PX -0.00043 0.05064 -0.00444 0.00892 -0.01357 102 2PY 0.02696 0.00269 0.05916 -0.00379 0.00947 103 2PZ 0.00465 0.05461 0.00891 -0.00350 -0.01062 104 3S -0.16043 -0.00284 -0.11106 0.01938 -0.01536 105 3PX 0.00019 0.02682 -0.00222 0.00580 -0.00670 106 3PY 0.01677 0.00133 0.03648 -0.00048 0.00483 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 -0.00461 -0.00426 115 2S 0.12983 0.00292 -0.08740 0.00961 0.00916 116 2PX 0.00043 -0.05064 -0.00444 0.00892 0.01357 117 2PY 0.02696 0.00269 -0.05917 0.00379 0.00947 118 2PZ -0.00465 -0.05461 0.00891 -0.00350 0.01062 119 3S 0.16043 0.00284 -0.11106 0.01938 0.01536 120 3PX -0.00019 -0.02682 -0.00222 0.00580 0.00670 121 3PY 0.01677 0.00133 -0.03648 0.00048 0.00483 122 3PZ -0.00209 -0.02881 0.00517 -0.00039 0.00623 123 4XX -0.00079 0.00128 -0.00081 -0.00089 -0.00013 124 4YY -0.00655 -0.00036 0.00805 -0.00065 -0.00116 125 4ZZ -0.00106 -0.00091 -0.00071 -0.00026 0.00010 126 4XY -0.00060 0.00538 0.00097 -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 -0.02378 -0.08581 0.00000 130 2S 0.00000 0.00000 0.04925 0.17289 0.00000 131 2PX 0.00000 0.00000 -0.04721 -0.09890 0.00000 132 2PY 0.03994 -0.00176 0.00000 0.00000 0.16972 133 2PZ 0.00000 0.00000 0.02020 -0.09311 0.00000 134 3S 0.00000 0.00000 0.05540 0.19446 0.00000 135 3PX 0.00000 0.00000 -0.02693 -0.03589 0.00000 136 3PY 0.00999 0.00207 0.00000 0.00000 0.06253 137 3PZ 0.00000 0.00000 0.00797 -0.03350 0.00000 138 4XX 0.00000 0.00000 0.00062 0.00268 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 0.00000 0.00706 142 4XZ 0.00000 0.00000 -0.00046 -0.00701 0.00000 143 4YZ 0.00410 -0.00165 0.00000 0.00000 0.00576 144 14 H 1S 0.00000 0.00000 0.00400 0.11501 0.00000 145 2S 0.00000 0.00000 -0.00645 0.05566 0.00000 146 15 H 1S 0.00000 0.00000 0.04348 0.10587 0.00000 147 2S 0.00000 0.00000 0.01575 0.04888 0.00000 148 16 C 1S 0.04339 -0.00953 0.00435 0.09085 0.05961 149 2S -0.08713 0.02261 -0.00780 -0.18577 -0.12369 150 2PX 0.01227 -0.00984 -0.02219 -0.03118 0.07536 151 2PY 0.00532 0.00387 0.01325 0.10125 0.04930 152 2PZ -0.02959 0.03812 0.00819 -0.04050 0.15158 153 3S -0.08218 0.01267 -0.01127 -0.19241 -0.12229 154 3PX 0.00340 -0.00979 -0.00819 -0.01144 0.02508 155 3PY 0.00144 -0.00334 0.00086 0.03733 0.02567 156 3PZ -0.00836 0.01065 0.00378 -0.00248 0.05179 157 4XX 0.00463 -0.00188 0.00155 0.00878 0.00287 158 4YY 0.00010 -0.00005 0.00053 -0.00387 -0.00794 159 4ZZ -0.00062 0.00187 -0.00093 0.00729 0.01140 160 4XY -0.00049 0.00019 -0.00254 -0.00587 0.00019 161 4XZ -0.00208 0.00194 0.00161 0.00123 0.00032 162 4YZ -0.00158 0.00060 -0.00004 -0.00541 0.00006 163 17 H 1S -0.03141 0.00204 -0.00920 -0.11853 -0.10280 164 2S -0.00981 -0.00381 -0.00744 -0.05260 -0.05139 165 18 C 1S 0.03120 -0.02463 0.00327 -0.04302 -0.09111 166 2S -0.06326 0.05030 -0.00735 0.08804 0.18735 167 2PX 0.01072 -0.00331 -0.00558 0.03400 0.03276 168 2PY 0.03676 -0.03047 0.00212 0.12161 -0.11977 169 2PZ 0.02288 -0.00424 -0.00381 0.14820 0.06193 170 3S -0.04282 0.04632 -0.00444 0.08627 0.17966 171 3PX -0.00087 0.00166 -0.00238 0.00959 0.01773 172 3PY 0.01222 -0.00962 0.00118 0.02843 -0.04761 173 3PZ -0.00548 0.00142 -0.00287 0.04569 0.03780 174 4XX 0.00248 -0.00135 0.00100 -0.00268 -0.00580 175 4YY 0.00349 -0.00237 -0.00040 0.00505 -0.00772 176 4ZZ -0.00264 0.00129 -0.00032 -0.00746 0.00195 177 4XY -0.00049 -0.00025 -0.00030 -0.00198 -0.00473 178 4XZ -0.00254 0.00173 0.00033 0.00050 0.00345 179 4YZ -0.00086 -0.00075 -0.00020 -0.00534 -0.01007 180 19 H 1S -0.02265 0.02647 -0.00527 0.06186 0.14773 181 2S -0.00295 0.01098 -0.00230 0.02854 0.07147 182 20 C 1S -0.04339 0.00953 0.00435 0.09085 -0.05961 183 2S 0.08713 -0.02261 -0.00780 -0.18577 0.12369 184 2PX -0.01227 0.00984 -0.02219 -0.03118 -0.07536 185 2PY 0.00532 0.00387 -0.01325 -0.10125 0.04930 186 2PZ 0.02959 -0.03812 0.00819 -0.04050 -0.15158 187 3S 0.08218 -0.01266 -0.01127 -0.19241 0.12229 188 3PX -0.00340 0.00979 -0.00819 -0.01144 -0.02508 189 3PY 0.00144 -0.00334 -0.00086 -0.03733 0.02567 190 3PZ 0.00836 -0.01065 0.00378 -0.00248 -0.05179 191 4XX -0.00463 0.00188 0.00155 0.00878 -0.00287 192 4YY -0.00010 0.00005 0.00053 -0.00387 0.00794 193 4ZZ 0.00062 -0.00187 -0.00093 0.00729 -0.01140 194 4XY -0.00049 0.00019 0.00254 0.00587 0.00019 195 4XZ 0.00208 -0.00194 0.00161 0.00123 -0.00032 196 4YZ -0.00158 0.00060 0.00004 0.00541 0.00006 197 21 H 1S 0.03141 -0.00204 -0.00920 -0.11853 0.10280 198 2S 0.00981 0.00381 -0.00744 -0.05260 0.05139 199 22 C 1S -0.03120 0.02463 0.00327 -0.04302 0.09111 200 2S 0.06326 -0.05030 -0.00735 0.08804 -0.18735 201 2PX -0.01072 0.00331 -0.00558 0.03400 -0.03276 202 2PY 0.03676 -0.03047 -0.00212 -0.12161 -0.11978 203 2PZ -0.02288 0.00424 -0.00381 0.14820 -0.06193 204 3S 0.04282 -0.04632 -0.00444 0.08627 -0.17966 205 3PX 0.00087 -0.00166 -0.00238 0.00959 -0.01773 206 3PY 0.01222 -0.00962 -0.00118 -0.02843 -0.04761 207 3PZ 0.00548 -0.00142 -0.00287 0.04569 -0.03781 208 4XX -0.00248 0.00135 0.00100 -0.00268 0.00580 209 4YY -0.00349 0.00237 -0.00040 0.00505 0.00772 210 4ZZ 0.00264 -0.00129 -0.00032 -0.00746 -0.00195 211 4XY -0.00049 -0.00025 0.00030 0.00198 -0.00473 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 -0.02647 -0.00527 0.06186 -0.14773 215 2S 0.00295 -0.01098 -0.00230 0.02854 -0.07147 26 27 28 29 30 O O O O O Eigenvalues -- -0.53778 -0.49216 -0.48232 -0.46759 -0.46721 1 1 C 1S 0.00501 0.00077 -0.00306 0.02168 0.04459 2 2S -0.01116 -0.00164 0.00394 -0.04771 -0.08788 3 2PX -0.00062 0.10359 -0.02186 -0.05411 0.08314 4 2PY 0.05707 0.11807 -0.21396 0.12971 -0.05755 5 2PZ -0.01274 0.04410 0.06618 0.09289 0.12628 6 3S -0.00802 0.01422 -0.00684 -0.05066 -0.16155 7 3PX -0.00472 0.04615 -0.00554 -0.03718 0.01976 8 3PY 0.01790 0.04975 -0.07591 0.03501 -0.00418 9 3PZ -0.00558 0.01688 0.03683 0.04284 0.02482 10 4XX 0.00094 0.00084 -0.00196 0.00464 0.00472 11 4YY -0.00082 -0.00077 0.00184 -0.00362 0.00360 12 4ZZ 0.00141 -0.00074 -0.00555 0.00344 -0.00374 13 4XY -0.00103 0.00073 -0.00276 0.00412 0.00761 14 4XZ 0.00140 0.00219 -0.00290 -0.00129 -0.00123 15 4YZ 0.00096 0.00096 -0.00130 0.00029 0.01264 16 2 C 1S 0.00500 0.00077 -0.00306 0.02171 -0.04457 17 2S -0.01116 -0.00164 0.00394 -0.04778 0.08785 18 2PX -0.00062 0.10359 -0.02187 -0.05405 -0.08318 19 2PY -0.05707 -0.11807 0.21396 -0.12967 -0.05764 20 2PZ -0.01274 0.04410 0.06618 0.09298 -0.12622 21 3S -0.00802 0.01422 -0.00684 -0.05078 0.16152 22 3PX -0.00472 0.04615 -0.00554 -0.03717 -0.01979 23 3PY -0.01790 -0.04975 0.07590 -0.03501 -0.00421 24 3PZ -0.00558 0.01688 0.03683 0.04286 -0.02479 25 4XX 0.00094 0.00084 -0.00196 0.00465 -0.00471 26 4YY -0.00082 -0.00077 0.00184 -0.00361 -0.00360 27 4ZZ 0.00141 -0.00074 -0.00555 0.00344 0.00375 28 4XY 0.00103 -0.00073 0.00276 -0.00412 0.00761 29 4XZ 0.00140 0.00219 -0.00290 -0.00129 0.00123 30 4YZ -0.00096 -0.00096 0.00130 -0.00029 0.01264 31 3 C 1S -0.00731 0.01534 0.04348 -0.00995 0.07106 32 2S 0.01466 -0.03703 -0.10295 0.02276 -0.15788 33 2PX -0.01676 -0.14520 0.04513 -0.11101 -0.00367 34 2PY -0.00316 0.02772 0.09095 -0.02422 0.00516 35 2PZ -0.00343 -0.17737 0.07923 -0.00450 -0.00531 36 3S 0.02391 -0.03852 -0.10466 0.02871 -0.18759 37 3PX -0.00656 -0.02673 0.00459 -0.04648 0.00676 38 3PY -0.00162 0.01565 0.02370 -0.00491 -0.06741 39 3PZ 0.00138 -0.04169 0.01408 0.00205 -0.01397 40 4XX 0.00011 -0.00115 0.00042 0.00051 0.00835 41 4YY -0.00233 0.00513 0.01182 -0.00075 0.00115 42 4ZZ 0.00030 -0.00063 -0.00155 -0.00209 0.01032 43 4XY 0.00131 0.00211 -0.00065 0.00223 0.00049 44 4XZ 0.00048 -0.00190 -0.00477 -0.00085 0.00402 45 4YZ 0.00026 0.00261 0.00116 0.00304 -0.00075 46 4 C 1S 0.00058 -0.00942 -0.00307 -0.00255 -0.04318 47 2S -0.00175 0.01930 0.00385 0.00471 0.08600 48 2PX -0.00431 0.02613 -0.10387 -0.03166 0.10293 49 2PY -0.00467 0.27548 0.12717 0.08280 -0.06119 50 2PZ 0.00379 0.03245 -0.10156 0.03206 0.11655 51 3S -0.00137 -0.01326 0.01219 0.00440 0.15469 52 3PX -0.00181 0.01075 -0.04720 -0.01604 0.01155 53 3PY -0.00023 0.09081 0.03080 0.02450 -0.01380 54 3PZ 0.00356 0.01229 -0.04584 0.01861 0.01918 55 4XX 0.00038 -0.00388 -0.00285 0.00128 -0.00051 56 4YY -0.00029 0.00246 0.00085 0.00098 -0.00281 57 4ZZ -0.00005 -0.00452 -0.00431 -0.00368 -0.00079 58 4XY 0.00017 -0.00155 -0.00064 -0.00026 -0.01095 59 4XZ -0.00018 -0.00399 -0.00324 -0.00130 0.00327 60 4YZ 0.00014 -0.00229 -0.00022 0.00060 -0.01239 61 5 C 1S 0.00058 -0.00942 -0.00307 -0.00258 0.04318 62 2S -0.00175 0.01930 0.00385 0.00477 -0.08600 63 2PX -0.00431 0.02613 -0.10387 -0.03159 -0.10295 64 2PY 0.00467 -0.27548 -0.12717 -0.08275 -0.06124 65 2PZ 0.00379 0.03245 -0.10156 0.03215 -0.11652 66 3S -0.00137 -0.01327 0.01219 0.00451 -0.15469 67 3PX -0.00181 0.01075 -0.04720 -0.01603 -0.01157 68 3PY 0.00023 -0.09081 -0.03081 -0.02449 -0.01381 69 3PZ 0.00356 0.01229 -0.04584 0.01862 -0.01917 70 4XX 0.00038 -0.00388 -0.00285 0.00128 0.00051 71 4YY -0.00029 0.00246 0.00085 0.00098 0.00281 72 4ZZ -0.00005 -0.00452 -0.00431 -0.00368 0.00079 73 4XY -0.00017 0.00155 0.00064 0.00027 -0.01095 74 4XZ -0.00018 -0.00399 -0.00324 -0.00130 -0.00327 75 4YZ -0.00014 0.00229 0.00022 -0.00059 -0.01239 76 6 C 1S -0.00730 0.01534 0.04348 -0.00990 -0.07107 77 2S 0.01466 -0.03703 -0.10295 0.02264 0.15789 78 2PX -0.01675 -0.14520 0.04513 -0.11101 0.00360 79 2PY 0.00316 -0.02772 -0.09095 0.02422 0.00517 80 2PZ -0.00343 -0.17737 0.07923 -0.00450 0.00531 81 3S 0.02391 -0.03851 -0.10466 0.02857 0.18762 82 3PX -0.00656 -0.02673 0.00459 -0.04647 -0.00680 83 3PY 0.00162 -0.01565 -0.02370 0.00496 -0.06741 84 3PZ 0.00138 -0.04169 0.01408 0.00204 0.01397 85 4XX 0.00011 -0.00115 0.00042 0.00051 -0.00835 86 4YY -0.00233 0.00513 0.01182 -0.00075 -0.00115 87 4ZZ 0.00030 -0.00063 -0.00155 -0.00209 -0.01032 88 4XY -0.00131 -0.00211 0.00065 -0.00223 0.00049 89 4XZ 0.00048 -0.00190 -0.00477 -0.00085 -0.00402 90 4YZ -0.00026 -0.00261 -0.00116 -0.00304 -0.00076 91 7 H 1S 0.01863 -0.00868 -0.07991 -0.01259 -0.13983 92 2S 0.01464 -0.00318 -0.04451 0.00268 -0.10572 93 8 H 1S 0.01863 -0.00868 -0.07991 -0.01269 0.13982 94 2S 0.01464 -0.00318 -0.04451 0.00260 0.10572 95 9 H 1S 0.00050 -0.05252 -0.10262 -0.02252 0.14437 96 2S -0.00026 -0.03726 -0.06273 -0.02111 0.11216 97 10 H 1S 0.00050 -0.05252 -0.10262 -0.02242 -0.14439 98 2S -0.00026 -0.03726 -0.06273 -0.02103 -0.11217 99 11 O 1S 0.00817 -0.02106 -0.05647 0.00805 -0.03709 100 2S -0.01797 0.04380 0.11856 -0.01692 0.08269 101 2PX -0.01524 -0.07661 0.05366 -0.08355 0.02124 102 2PY 0.01252 -0.06277 -0.18105 0.02178 -0.16081 103 2PZ -0.00084 -0.11423 0.02351 -0.00307 -0.01696 104 3S -0.03083 0.09107 0.23561 -0.03314 0.12123 105 3PX -0.00899 -0.04739 0.02853 -0.04729 0.01188 106 3PY 0.00442 -0.02848 -0.08581 0.01053 -0.09214 107 3PZ -0.00060 -0.06598 0.01636 -0.00298 -0.00838 108 4XX 0.00077 0.00062 -0.00278 0.00177 0.00144 109 4YY 0.00123 -0.00619 -0.01653 0.00130 -0.01298 110 4ZZ 0.00019 -0.00260 -0.00175 -0.00005 0.00176 111 4XY -0.00123 -0.00630 0.00513 -0.00662 0.00221 112 4XZ 0.00002 -0.00004 -0.00177 -0.00055 0.00059 113 4YZ -0.00001 -0.00984 0.00174 0.00009 -0.00165 114 12 O 1S 0.00817 -0.02106 -0.05647 0.00802 0.03709 115 2S -0.01797 0.04380 0.11856 -0.01686 -0.08270 116 2PX -0.01524 -0.07661 0.05366 -0.08353 -0.02130 117 2PY -0.01252 0.06277 0.18105 -0.02167 -0.16082 118 2PZ -0.00084 -0.11423 0.02351 -0.00308 0.01696 119 3S -0.03083 0.09107 0.23561 -0.03306 -0.12126 120 3PX -0.00899 -0.04739 0.02853 -0.04728 -0.01191 121 3PY -0.00442 0.02848 0.08581 -0.01046 -0.09214 122 3PZ -0.00060 -0.06598 0.01636 -0.00299 0.00838 123 4XX 0.00077 0.00062 -0.00278 0.00177 -0.00144 124 4YY 0.00123 -0.00619 -0.01653 0.00129 0.01299 125 4ZZ 0.00019 -0.00260 -0.00175 -0.00005 -0.00176 126 4XY 0.00123 0.00630 -0.00513 0.00662 0.00222 127 4XZ 0.00002 -0.00004 -0.00177 -0.00055 -0.00059 128 4YZ 0.00001 0.00984 -0.00174 -0.00009 -0.00165 129 13 C 1S -0.01046 -0.00603 -0.00019 -0.00736 0.00000 130 2S 0.02191 0.01015 -0.00109 0.02083 0.00001 131 2PX -0.09234 -0.10260 0.03645 0.23808 0.00009 132 2PY 0.00000 0.00000 0.00000 -0.00001 0.02306 133 2PZ -0.15107 0.06866 -0.04606 -0.18494 -0.00007 134 3S 0.03210 0.03478 0.00436 0.00003 0.00000 135 3PX -0.02987 -0.04979 0.02294 0.09071 0.00003 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00811 137 3PZ -0.06000 0.04160 -0.03195 -0.09985 -0.00004 138 4XX -0.00022 0.00313 -0.00119 -0.00887 0.00000 139 4YY 0.00430 -0.00064 0.00078 -0.00021 0.00000 140 4ZZ -0.00022 -0.00169 -0.00024 0.00692 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 -0.00026 142 4XZ -0.00873 -0.00189 0.00020 0.00650 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00258 144 14 H 1S 0.08420 -0.03872 0.02424 0.12233 0.00004 145 2S 0.04931 -0.02724 0.00636 0.07540 0.00003 146 15 H 1S 0.03811 0.07097 -0.02666 -0.15793 -0.00006 147 2S 0.02953 0.04187 -0.01359 -0.12002 -0.00004 148 16 C 1S -0.01609 0.00339 -0.00582 0.00221 0.01302 149 2S 0.03369 -0.00557 0.01214 -0.00786 -0.02730 150 2PX -0.01319 -0.03538 0.01467 0.10167 0.02243 151 2PY -0.21295 -0.00712 -0.02200 0.05609 0.00303 152 2PZ -0.05367 0.03415 -0.01954 -0.09590 -0.01021 153 3S 0.04702 -0.01860 0.01730 0.01462 -0.04558 154 3PX -0.01053 -0.01074 0.00533 0.05411 0.01054 155 3PY -0.08244 -0.01198 -0.00148 0.03495 0.00041 156 3PZ -0.01960 0.01543 -0.00048 -0.04001 -0.01766 157 4XX 0.00119 0.00170 -0.00068 -0.00124 0.00077 158 4YY -0.00084 -0.00061 0.00044 0.00162 -0.00112 159 4ZZ 0.00197 -0.00085 -0.00026 0.00106 0.00202 160 4XY 0.00161 -0.00297 0.00279 0.00489 -0.00016 161 4XZ 0.00199 0.00001 0.00116 0.00158 -0.00176 162 4YZ -0.00333 0.00265 -0.00238 -0.00476 -0.00076 163 17 H 1S 0.12335 -0.00069 0.01680 -0.02678 -0.01470 164 2S 0.06604 0.00214 0.01470 -0.01106 -0.00389 165 18 C 1S -0.01559 -0.00045 0.00255 0.00141 -0.00933 166 2S 0.03081 0.00124 -0.00561 -0.00340 0.01771 167 2PX 0.05961 -0.03087 0.02950 0.09286 0.01522 168 2PY -0.13797 0.00141 -0.03490 0.06210 -0.01447 169 2PZ 0.16998 -0.01001 0.02028 0.00114 0.03360 170 3S 0.05628 -0.00023 -0.00635 -0.00572 0.03739 171 3PX 0.01905 -0.01534 0.01468 0.04628 0.00036 172 3PY -0.04273 0.00309 -0.01119 0.01860 -0.00682 173 3PZ 0.05206 -0.00272 0.00848 -0.00151 -0.00092 174 4XX 0.00021 0.00085 0.00034 -0.00210 -0.00101 175 4YY 0.00225 -0.00007 -0.00043 0.00061 -0.00018 176 4ZZ 0.00039 -0.00110 0.00136 0.00104 0.00043 177 4XY 0.00037 -0.00064 0.00107 0.00243 -0.00138 178 4XZ 0.00139 0.00152 -0.00091 -0.00523 0.00039 179 4YZ 0.00394 0.00043 0.00002 -0.00214 -0.00309 180 19 H 1S 0.12698 -0.00946 0.02169 -0.00555 0.03304 181 2S 0.07749 -0.00736 0.01473 -0.00465 0.02783 182 20 C 1S -0.01609 0.00339 -0.00582 0.00222 -0.01302 183 2S 0.03369 -0.00557 0.01214 -0.00788 0.02730 184 2PX -0.01319 -0.03538 0.01467 0.10169 -0.02236 185 2PY 0.21296 0.00712 0.02200 -0.05608 0.00299 186 2PZ -0.05367 0.03415 -0.01954 -0.09591 0.01014 187 3S 0.04702 -0.01860 0.01730 0.01459 0.04560 188 3PX -0.01053 -0.01074 0.00533 0.05412 -0.01050 189 3PY 0.08245 0.01198 0.00148 -0.03495 0.00038 190 3PZ -0.01960 0.01543 -0.00048 -0.04002 0.01763 191 4XX 0.00119 0.00170 -0.00068 -0.00124 -0.00077 192 4YY -0.00084 -0.00061 0.00044 0.00162 0.00112 193 4ZZ 0.00197 -0.00085 -0.00026 0.00106 -0.00202 194 4XY -0.00161 0.00297 -0.00279 -0.00489 -0.00016 195 4XZ 0.00199 0.00001 0.00116 0.00158 0.00176 196 4YZ 0.00333 -0.00265 0.00238 0.00476 -0.00076 197 21 H 1S 0.12335 -0.00069 0.01681 -0.02679 0.01468 198 2S 0.06604 0.00214 0.01470 -0.01106 0.00388 199 22 C 1S -0.01559 -0.00045 0.00255 0.00140 0.00933 200 2S 0.03080 0.00124 -0.00561 -0.00339 -0.01772 201 2PX 0.05961 -0.03087 0.02950 0.09288 -0.01515 202 2PY 0.13797 -0.00141 0.03490 -0.06209 -0.01451 203 2PZ 0.16998 -0.01001 0.02028 0.00117 -0.03359 204 3S 0.05628 -0.00023 -0.00635 -0.00569 -0.03739 205 3PX 0.01905 -0.01534 0.01468 0.04628 -0.00032 206 3PY 0.04273 -0.00309 0.01119 -0.01859 -0.00684 207 3PZ 0.05206 -0.00272 0.00848 -0.00151 0.00092 208 4XX 0.00021 0.00085 0.00034 -0.00210 0.00101 209 4YY 0.00225 -0.00007 -0.00043 0.00061 0.00018 210 4ZZ 0.00039 -0.00110 0.00136 0.00104 -0.00043 211 4XY -0.00037 0.00064 -0.00107 -0.00242 -0.00138 212 4XZ 0.00139 0.00152 -0.00091 -0.00523 -0.00039 213 4YZ -0.00394 -0.00043 -0.00002 0.00214 -0.00309 214 23 H 1S 0.12698 -0.00946 0.02169 -0.00552 -0.03304 215 2S 0.07749 -0.00736 0.01473 -0.00463 -0.02783 31 32 33 34 35 O O O O O Eigenvalues -- -0.44677 -0.41700 -0.40750 -0.40696 -0.40006 1 1 C 1S -0.01832 -0.00502 0.00583 -0.00392 0.00211 2 2S 0.03788 0.00821 -0.00709 0.00572 -0.00734 3 2PX 0.06693 0.06520 0.00991 -0.12050 0.02012 4 2PY -0.11802 -0.01069 -0.00658 0.06468 0.11734 5 2PZ 0.20371 0.10311 0.02543 -0.05496 -0.01357 6 3S 0.08494 0.08066 -0.04275 0.00220 0.00657 7 3PX 0.03040 0.04275 -0.00314 -0.06064 0.02319 8 3PY -0.01789 -0.04197 0.01119 0.01509 0.03411 9 3PZ 0.09102 0.07073 0.00253 -0.01679 0.01111 10 4XX -0.00369 0.00211 0.00082 -0.00781 0.00020 11 4YY 0.00367 -0.00475 0.00041 -0.00054 -0.00431 12 4ZZ -0.00674 0.00003 0.00025 0.00937 0.00493 13 4XY 0.00185 0.00249 -0.00103 -0.00025 -0.00286 14 4XZ -0.00282 0.00231 0.00113 0.00193 0.00452 15 4YZ 0.00217 0.00636 0.00252 -0.00076 -0.00061 16 2 C 1S -0.01832 0.00502 -0.00583 -0.00391 0.00211 17 2S 0.03788 -0.00821 0.00709 0.00572 -0.00734 18 2PX 0.06693 -0.06520 -0.00995 -0.12049 0.02012 19 2PY 0.11802 -0.01069 -0.00660 -0.06467 -0.11734 20 2PZ 0.20371 -0.10311 -0.02545 -0.05496 -0.01357 21 3S 0.08494 -0.08066 0.04275 0.00219 0.00657 22 3PX 0.03040 -0.04275 0.00313 -0.06064 0.02319 23 3PY 0.01789 -0.04197 0.01119 -0.01509 -0.03411 24 3PZ 0.09102 -0.07073 -0.00254 -0.01679 0.01111 25 4XX -0.00369 -0.00211 -0.00082 -0.00781 0.00020 26 4YY 0.00367 0.00475 -0.00041 -0.00054 -0.00431 27 4ZZ -0.00674 -0.00003 -0.00025 0.00937 0.00493 28 4XY -0.00185 0.00249 -0.00103 0.00025 0.00286 29 4XZ -0.00282 -0.00231 -0.00113 0.00193 0.00452 30 4YZ -0.00217 0.00636 0.00252 0.00076 0.00061 31 3 C 1S 0.00506 -0.00549 0.00360 0.00285 0.00757 32 2S -0.01139 0.01412 -0.00637 -0.00541 -0.01786 33 2PX -0.13940 0.05794 0.02309 -0.09694 -0.03647 34 2PY 0.00889 -0.25214 -0.05081 -0.04554 0.13697 35 2PZ -0.00559 -0.03640 -0.04362 0.17504 0.04413 36 3S -0.01389 0.00211 -0.02870 -0.01017 -0.01441 37 3PX -0.02279 0.00887 0.01093 -0.07743 -0.00919 38 3PY -0.01551 0.01115 -0.00796 -0.02396 -0.01808 39 3PZ 0.04180 -0.01018 -0.01891 0.07297 0.01606 40 4XX 0.00138 -0.00570 -0.00053 -0.00284 0.00531 41 4YY 0.00071 0.00023 -0.00091 0.00189 -0.00687 42 4ZZ -0.00052 -0.00497 -0.00039 0.00206 0.00744 43 4XY -0.00632 -0.00128 -0.00197 0.00690 0.00233 44 4XZ -0.00020 -0.00116 -0.00007 0.00113 0.00443 45 4YZ -0.00742 0.00083 0.00119 -0.00077 -0.00179 46 4 C 1S 0.01320 0.00504 -0.00227 -0.00905 0.00166 47 2S -0.03042 -0.00955 0.00441 0.02021 -0.00629 48 2PX 0.08358 0.07322 0.03915 -0.15424 -0.02474 49 2PY -0.12389 -0.00882 -0.00596 0.04583 -0.13165 50 2PZ 0.18157 0.06796 0.02966 0.02605 0.00742 51 3S -0.05607 -0.07907 0.00431 0.04232 0.01109 52 3PX 0.02326 0.05305 0.01995 -0.07759 -0.02668 53 3PY -0.01335 -0.04667 -0.00627 -0.00011 -0.03338 54 3PZ 0.07488 0.04859 0.00874 0.02209 -0.01155 55 4XX 0.00712 -0.00228 -0.00089 0.00202 0.00362 56 4YY -0.00326 0.00515 0.00093 0.00264 -0.00404 57 4ZZ 0.00193 -0.00082 0.00059 -0.00728 0.00242 58 4XY -0.00255 -0.00442 -0.00328 -0.00046 -0.00141 59 4XZ 0.00526 -0.00226 0.00017 -0.00180 0.00441 60 4YZ -0.00161 -0.00322 -0.00206 0.00299 -0.00126 61 5 C 1S 0.01320 -0.00504 0.00227 -0.00905 0.00166 62 2S -0.03042 0.00954 -0.00440 0.02021 -0.00629 63 2PX 0.08358 -0.07322 -0.03920 -0.15423 -0.02474 64 2PY 0.12389 -0.00882 -0.00597 -0.04583 0.13165 65 2PZ 0.18157 -0.06796 -0.02966 0.02606 0.00742 66 3S -0.05607 0.07907 -0.00430 0.04232 0.01109 67 3PX 0.02326 -0.05305 -0.01997 -0.07759 -0.02668 68 3PY 0.01335 -0.04667 -0.00627 0.00011 0.03338 69 3PZ 0.07488 -0.04859 -0.00873 0.02209 -0.01155 70 4XX 0.00712 0.00228 0.00089 0.00202 0.00362 71 4YY -0.00326 -0.00515 -0.00093 0.00264 -0.00404 72 4ZZ 0.00193 0.00082 -0.00060 -0.00728 0.00242 73 4XY 0.00255 -0.00442 -0.00328 0.00046 0.00141 74 4XZ 0.00526 0.00226 -0.00017 -0.00180 0.00441 75 4YZ 0.00161 -0.00322 -0.00206 -0.00299 0.00126 76 6 C 1S 0.00506 0.00549 -0.00360 0.00286 0.00757 77 2S -0.01139 -0.01412 0.00637 -0.00541 -0.01786 78 2PX -0.13940 -0.05793 -0.02312 -0.09693 -0.03647 79 2PY -0.00889 -0.25214 -0.05079 0.04555 -0.13697 80 2PZ -0.00559 0.03639 0.04367 0.17503 0.04413 81 3S -0.01389 -0.00211 0.02869 -0.01018 -0.01441 82 3PX -0.02279 -0.00887 -0.01095 -0.07742 -0.00919 83 3PY 0.01551 0.01115 -0.00795 0.02396 0.01808 84 3PZ 0.04180 0.01018 0.01893 0.07296 0.01606 85 4XX 0.00138 0.00570 0.00053 -0.00284 0.00531 86 4YY 0.00071 -0.00023 0.00091 0.00189 -0.00687 87 4ZZ -0.00052 0.00497 0.00039 0.00206 0.00744 88 4XY 0.00632 -0.00128 -0.00197 -0.00690 -0.00233 89 4XZ -0.00020 0.00116 0.00007 0.00113 0.00443 90 4YZ 0.00742 0.00083 0.00119 0.00077 0.00179 91 7 H 1S -0.12805 -0.06466 -0.01888 0.07646 0.04418 92 2S -0.10478 -0.03590 -0.01321 0.05918 0.05662 93 8 H 1S -0.12805 0.06466 0.01890 0.07646 0.04418 94 2S -0.10477 0.03590 0.01323 0.05917 0.05662 95 9 H 1S 0.12244 0.04991 0.03206 -0.05234 0.04074 96 2S 0.10645 0.02007 0.02280 -0.04974 0.05179 97 10 H 1S 0.12244 -0.04991 -0.03208 -0.05233 0.04074 98 2S 0.10645 -0.02007 -0.02281 -0.04973 0.05179 99 11 O 1S -0.00815 0.05255 0.00804 0.00215 -0.02513 100 2S 0.01803 -0.11242 -0.01588 -0.00413 0.05111 101 2PX -0.06412 -0.02222 0.02028 -0.12602 0.00474 102 2PY -0.05180 0.32233 0.06581 -0.01725 -0.20541 103 2PZ 0.02940 0.01432 -0.03106 0.15056 0.01236 104 3S 0.02763 -0.20116 -0.03509 -0.01116 0.09886 105 3PX -0.03846 -0.01149 0.01505 -0.07369 0.00176 106 3PY -0.02909 0.17985 0.03825 -0.01166 -0.11680 107 3PZ 0.01415 0.00776 -0.02008 0.09020 0.00770 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 -0.00215 0.00103 -0.00801 0.00071 112 4XZ -0.00088 0.00082 0.00083 -0.00232 0.00024 113 4YZ 0.00082 0.00151 -0.00213 0.01103 0.00073 114 12 O 1S -0.00815 -0.05255 -0.00804 0.00215 -0.02513 115 2S 0.01804 0.11242 0.01588 -0.00414 0.05112 116 2PX -0.06412 0.02222 -0.02032 -0.12601 0.00473 117 2PY 0.05180 0.32232 0.06582 0.01723 0.20541 118 2PZ 0.02940 -0.01432 0.03110 0.15055 0.01236 119 3S 0.02764 0.20115 0.03509 -0.01117 0.09886 120 3PX -0.03846 0.01149 -0.01507 -0.07368 0.00176 121 3PY 0.02909 0.17985 0.03826 0.01165 0.11680 122 3PZ 0.01415 -0.00776 0.02011 0.09019 0.00770 123 4XX 0.00176 0.00144 0.00073 0.00187 0.00105 124 4YY -0.00451 -0.02105 -0.00524 -0.00293 -0.01296 125 4ZZ 0.00048 0.00130 0.00029 0.00211 0.00111 126 4XY 0.00592 -0.00215 0.00103 0.00801 -0.00071 127 4XZ -0.00088 -0.00082 -0.00083 -0.00232 0.00024 128 4YZ -0.00082 0.00151 -0.00213 -0.01103 -0.00073 129 13 C 1S -0.01021 0.00000 0.00000 0.00134 0.01885 130 2S 0.02008 0.00000 0.00000 -0.00712 -0.03947 131 2PX -0.07067 0.00000 -0.00002 -0.16015 -0.11359 132 2PY 0.00000 -0.00536 -0.08161 0.00001 0.00000 133 2PZ 0.01947 0.00000 0.00002 0.09139 -0.12697 134 3S 0.03925 0.00000 0.00001 0.02852 -0.09138 135 3PX -0.03508 0.00000 -0.00001 -0.06636 -0.07106 136 3PY 0.00000 -0.00567 -0.01188 0.00000 0.00000 137 3PZ -0.00350 0.00000 0.00001 0.06868 -0.04778 138 4XX 0.00515 0.00000 0.00000 0.01203 0.00034 139 4YY -0.00231 0.00000 0.00000 -0.00532 -0.00113 140 4ZZ -0.00289 0.00000 0.00000 -0.00470 0.00613 141 4XY 0.00000 0.00042 -0.00479 0.00000 0.00000 142 4XZ -0.00179 0.00000 0.00000 -0.00412 -0.00384 143 4YZ 0.00000 0.00211 -0.01068 0.00000 0.00000 144 14 H 1S -0.01329 0.00000 -0.00001 -0.06102 0.06205 145 2S -0.03005 0.00000 -0.00001 -0.03520 0.07268 146 15 H 1S 0.05627 0.00000 0.00002 0.11904 0.03204 147 2S 0.04165 0.00000 0.00002 0.10112 0.02762 148 16 C 1S 0.00518 0.00791 -0.02764 0.01397 0.00598 149 2S -0.01231 -0.01777 0.06437 -0.02760 -0.01535 150 2PX 0.01746 -0.01910 0.02940 0.02672 0.00630 151 2PY 0.00191 -0.03759 0.24756 0.02574 -0.11881 152 2PZ 0.01241 -0.04376 0.16335 0.06890 -0.00871 153 3S -0.00618 -0.02268 0.10827 -0.06555 -0.01437 154 3PX 0.01157 -0.00997 0.00266 0.01681 -0.00360 155 3PY 0.00719 -0.01423 0.09106 -0.01433 -0.03581 156 3PZ 0.01968 -0.02173 0.06024 0.02334 -0.02467 157 4XX 0.00428 -0.00020 -0.00021 0.00702 0.00062 158 4YY -0.00230 0.00275 -0.01588 -0.00601 0.00394 159 4ZZ -0.00147 -0.00007 0.00691 0.00103 -0.00060 160 4XY -0.00008 0.00024 -0.00400 -0.00261 0.00409 161 4XZ 0.00166 -0.00063 0.00142 -0.00104 -0.00037 162 4YZ -0.00182 -0.00091 0.00054 0.00048 0.01076 163 17 H 1S -0.01296 0.02360 -0.15276 -0.04592 0.07425 164 2S -0.00444 0.01648 -0.14686 -0.03734 0.07293 165 18 C 1S 0.00593 -0.00220 -0.01387 0.00453 -0.01472 166 2S -0.01526 0.00492 0.03716 -0.01521 0.03440 167 2PX 0.03234 0.01558 -0.07799 0.01457 -0.02466 168 2PY -0.05417 -0.01202 0.02029 -0.07622 0.25097 169 2PZ 0.00330 0.06840 -0.23257 -0.04236 -0.05898 170 3S -0.02052 0.00388 0.02096 0.00413 0.05283 171 3PX 0.01975 -0.00150 -0.01833 0.01054 -0.00766 172 3PY -0.01457 -0.00988 0.01377 -0.02355 0.07835 173 3PZ 0.00028 0.02076 -0.04577 -0.03061 -0.02379 174 4XX 0.00113 0.00000 -0.00027 0.00190 -0.00182 175 4YY -0.00201 0.00233 -0.01102 -0.00338 0.00687 176 4ZZ 0.00122 -0.00018 0.00406 0.00149 -0.01183 177 4XY 0.00052 -0.00128 0.00490 -0.00018 0.00237 178 4XZ -0.00107 0.00098 0.00015 -0.00001 -0.00513 179 4YZ -0.00053 -0.00480 0.01347 -0.00085 0.00580 180 19 H 1S 0.01955 0.04541 -0.12663 0.00681 -0.11762 181 2S 0.02088 0.03908 -0.12887 0.01802 -0.11145 182 20 C 1S 0.00518 -0.00791 0.02765 0.01396 0.00599 183 2S -0.01231 0.01777 -0.06438 -0.02759 -0.01535 184 2PX 0.01746 0.01910 -0.02940 0.02673 0.00630 185 2PY -0.00191 -0.03759 0.24755 -0.02582 0.11881 186 2PZ 0.01241 0.04376 -0.16333 0.06895 -0.00871 187 3S -0.00618 0.02268 -0.10829 -0.06552 -0.01437 188 3PX 0.01157 0.00997 -0.00266 0.01681 -0.00360 189 3PY -0.00719 -0.01423 0.09106 0.01430 0.03581 190 3PZ 0.01968 0.02173 -0.06024 0.02336 -0.02467 191 4XX 0.00428 0.00020 0.00021 0.00702 0.00062 192 4YY -0.00230 -0.00275 0.01588 -0.00602 0.00394 193 4ZZ -0.00147 0.00007 -0.00691 0.00103 -0.00060 194 4XY 0.00008 0.00024 -0.00400 0.00261 -0.00409 195 4XZ 0.00166 0.00063 -0.00142 -0.00104 -0.00037 196 4YZ 0.00182 -0.00091 0.00054 -0.00048 -0.01077 197 21 H 1S -0.01296 -0.02360 0.15274 -0.04596 0.07425 198 2S -0.00444 -0.01648 0.14685 -0.03739 0.07293 199 22 C 1S 0.00593 0.00220 0.01387 0.00452 -0.01472 200 2S -0.01526 -0.00492 -0.03717 -0.01520 0.03440 201 2PX 0.03234 -0.01558 0.07800 0.01455 -0.02466 202 2PY 0.05417 -0.01202 0.02032 0.07621 -0.25097 203 2PZ 0.00330 -0.06840 0.23256 -0.04243 -0.05897 204 3S -0.02052 -0.00388 -0.02096 0.00413 0.05283 205 3PX 0.01975 0.00150 0.01834 0.01054 -0.00766 206 3PY 0.01457 -0.00988 0.01378 0.02355 -0.07835 207 3PZ 0.00028 -0.02076 0.04576 -0.03062 -0.02379 208 4XX 0.00113 0.00000 0.00028 0.00190 -0.00182 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 -0.00128 0.00490 0.00017 -0.00237 212 4XZ -0.00107 -0.00098 -0.00015 -0.00001 -0.00513 213 4YZ 0.00053 -0.00480 0.01347 0.00085 -0.00580 214 23 H 1S 0.01955 -0.04541 0.12664 0.00677 -0.11762 215 2S 0.02088 -0.03908 0.12887 0.01798 -0.11145 36 37 38 39 40 O O O O O Eigenvalues -- -0.39570 -0.39320 -0.39081 -0.37876 -0.37212 1 1 C 1S -0.00226 -0.00776 -0.00843 0.01390 0.00832 2 2S 0.00413 0.01033 0.02377 -0.02398 -0.01425 3 2PX -0.02052 -0.00125 -0.02780 0.11535 0.05771 4 2PY 0.01519 -0.00338 -0.18679 -0.00898 -0.00653 5 2PZ 0.01837 -0.09539 0.03213 0.07252 0.09354 6 3S 0.02014 0.07147 0.00355 -0.06141 -0.03830 7 3PX -0.01017 0.00008 -0.02708 0.08329 0.01565 8 3PY 0.01580 -0.05493 -0.05135 0.04235 0.01531 9 3PZ 0.00960 -0.03337 -0.00329 0.03860 0.02857 10 4XX 0.00060 0.00356 -0.00499 0.00410 0.00247 11 4YY 0.00022 -0.00330 0.00760 0.00182 0.00127 12 4ZZ -0.00014 -0.00066 -0.00560 -0.00679 -0.00345 13 4XY 0.00011 -0.00073 0.00081 0.00938 0.00567 14 4XZ 0.00060 0.00212 -0.00386 -0.00080 -0.00068 15 4YZ -0.00050 -0.00989 0.00179 0.00614 0.00786 16 2 C 1S -0.00226 0.00775 -0.00843 -0.01390 -0.00832 17 2S 0.00413 -0.01033 0.02377 0.02398 0.01425 18 2PX -0.02052 0.00125 -0.02780 -0.11535 -0.05771 19 2PY -0.01519 -0.00337 0.18679 -0.00898 -0.00653 20 2PZ 0.01838 0.09539 0.03213 -0.07252 -0.09354 21 3S 0.02013 -0.07147 0.00355 0.06141 0.03830 22 3PX -0.01017 -0.00008 -0.02708 -0.08329 -0.01565 23 3PY -0.01580 -0.05493 0.05135 0.04235 0.01531 24 3PZ 0.00960 0.03337 -0.00329 -0.03860 -0.02857 25 4XX 0.00060 -0.00357 -0.00499 -0.00410 -0.00247 26 4YY 0.00022 0.00330 0.00760 -0.00182 -0.00127 27 4ZZ -0.00014 0.00066 -0.00560 0.00679 0.00345 28 4XY -0.00011 -0.00073 -0.00081 0.00938 0.00567 29 4XZ 0.00060 -0.00212 -0.00386 0.00080 0.00068 30 4YZ 0.00049 -0.00989 -0.00179 0.00614 0.00786 31 3 C 1S -0.00074 0.00398 -0.00440 0.00168 0.00440 32 2S 0.00428 -0.01103 0.01080 -0.00598 -0.01106 33 2PX -0.03373 -0.21531 0.00731 -0.00235 0.11830 34 2PY 0.00747 -0.08024 -0.16750 -0.03493 -0.00407 35 2PZ 0.03332 0.05065 0.01061 0.23105 0.06112 36 3S -0.01373 -0.00460 -0.00429 0.01634 -0.01712 37 3PX -0.01055 -0.09155 -0.01288 -0.04358 0.03978 38 3PY -0.00076 -0.01093 0.02484 0.00308 -0.00475 39 3PZ 0.01902 0.06148 0.01605 0.08393 0.01296 40 4XX -0.00012 -0.00218 -0.00728 -0.00139 0.00152 41 4YY 0.00014 0.00325 0.01008 0.00281 -0.00139 42 4ZZ 0.00085 -0.00244 -0.00910 -0.00126 -0.00001 43 4XY 0.00123 0.00748 -0.00194 0.00417 -0.00238 44 4XZ 0.00104 0.00063 -0.00477 0.00170 -0.00014 45 4YZ -0.00076 -0.00585 -0.00068 -0.00868 -0.00019 46 4 C 1S -0.00071 -0.00635 -0.00179 0.01373 0.00669 47 2S 0.00086 0.01227 0.00825 -0.02263 -0.01124 48 2PX -0.03027 0.04542 -0.00186 -0.10651 -0.04521 49 2PY -0.01060 -0.01023 0.13907 0.00795 0.00293 50 2PZ 0.01575 0.11978 0.02168 -0.06955 -0.07240 51 3S 0.00321 0.00885 -0.01609 -0.10478 -0.04159 52 3PX -0.01905 0.01753 0.01585 -0.04578 -0.01406 53 3PY -0.00263 0.01281 0.03423 -0.06428 -0.02751 54 3PZ 0.00878 0.06602 0.02808 -0.01915 -0.03728 55 4XX 0.00092 0.00391 -0.00264 0.00127 -0.00211 56 4YY -0.00020 0.00087 0.00521 0.00280 0.00137 57 4ZZ -0.00103 -0.00336 -0.00433 -0.00437 -0.00019 58 4XY -0.00035 -0.00325 0.00092 0.01100 0.00432 59 4XZ 0.00051 0.00199 -0.00435 -0.00299 -0.00226 60 4YZ 0.00045 -0.01095 0.00223 0.00702 0.00713 61 5 C 1S -0.00071 0.00635 -0.00179 -0.01373 -0.00669 62 2S 0.00086 -0.01227 0.00825 0.02263 0.01124 63 2PX -0.03028 -0.04542 -0.00186 0.10651 0.04521 64 2PY 0.01060 -0.01023 -0.13907 0.00795 0.00293 65 2PZ 0.01574 -0.11978 0.02168 0.06955 0.07240 66 3S 0.00321 -0.00885 -0.01609 0.10478 0.04159 67 3PX -0.01905 -0.01753 0.01585 0.04578 0.01406 68 3PY 0.00263 0.01281 -0.03423 -0.06428 -0.02751 69 3PZ 0.00877 -0.06603 0.02808 0.01915 0.03728 70 4XX 0.00092 -0.00391 -0.00264 -0.00127 0.00211 71 4YY -0.00020 -0.00087 0.00521 -0.00280 -0.00137 72 4ZZ -0.00103 0.00336 -0.00433 0.00437 0.00019 73 4XY 0.00035 -0.00325 -0.00092 0.01100 0.00432 74 4XZ 0.00051 -0.00199 -0.00435 0.00299 0.00226 75 4YZ -0.00045 -0.01095 -0.00223 0.00702 0.00713 76 6 C 1S -0.00074 -0.00398 -0.00440 -0.00168 -0.00440 77 2S 0.00428 0.01103 0.01080 0.00598 0.01106 78 2PX -0.03370 0.21532 0.00730 0.00235 -0.11830 79 2PY -0.00748 -0.08023 0.16751 -0.03493 -0.00407 80 2PZ 0.03332 -0.05066 0.01062 -0.23105 -0.06112 81 3S -0.01373 0.00460 -0.00429 -0.01634 0.01712 82 3PX -0.01054 0.09155 -0.01289 0.04358 -0.03978 83 3PY 0.00076 -0.01093 -0.02484 0.00309 -0.00475 84 3PZ 0.01901 -0.06148 0.01605 -0.08393 -0.01296 85 4XX -0.00012 0.00218 -0.00728 0.00139 -0.00152 86 4YY 0.00014 -0.00325 0.01008 -0.00281 0.00139 87 4ZZ 0.00085 0.00244 -0.00910 0.00126 0.00001 88 4XY -0.00123 0.00748 0.00194 0.00417 -0.00238 89 4XZ 0.00104 -0.00063 -0.00477 -0.00170 0.00014 90 4YZ 0.00075 -0.00585 0.00068 -0.00868 -0.00019 91 7 H 1S 0.00050 0.06185 -0.06258 -0.08902 -0.07933 92 2S -0.00528 0.06356 -0.06886 -0.07026 -0.07279 93 8 H 1S 0.00049 -0.06185 -0.06257 0.08902 0.07933 94 2S -0.00529 -0.06356 -0.06886 0.07026 0.07279 95 9 H 1S -0.00023 0.08197 -0.04231 -0.09570 -0.06214 96 2S 0.00204 0.06766 -0.05626 -0.08873 -0.05713 97 10 H 1S -0.00024 -0.08197 -0.04231 0.09570 0.06214 98 2S 0.00203 -0.06766 -0.05626 0.08873 0.05713 99 11 O 1S -0.00205 0.00664 0.02536 0.00063 0.00139 100 2S 0.00261 -0.01498 -0.05345 -0.00196 -0.00275 101 2PX -0.03267 -0.23293 -0.04643 -0.03927 0.11318 102 2PY -0.02284 0.00860 0.21993 -0.01617 0.01581 103 2PZ 0.02998 0.09292 0.05103 0.25262 0.05114 104 3S 0.01530 -0.02172 -0.08800 0.00289 -0.00801 105 3PX -0.02185 -0.14503 -0.02750 -0.02485 0.07079 106 3PY -0.01066 0.00302 0.12981 -0.01000 0.00821 107 3PZ 0.01798 0.05685 0.03062 0.15988 0.03102 108 4XX 0.00004 0.00355 -0.00128 0.00004 -0.00130 109 4YY -0.00223 -0.00225 0.01217 -0.00290 0.00153 110 4ZZ -0.00017 0.00037 -0.00172 0.00251 0.00060 111 4XY -0.00235 -0.01585 -0.00332 -0.00233 0.00768 112 4XZ -0.00039 -0.00231 -0.00110 -0.00263 0.00023 113 4YZ 0.00206 0.00586 0.00348 0.01689 0.00347 114 12 O 1S -0.00205 -0.00664 0.02536 -0.00063 -0.00139 115 2S 0.00261 0.01498 -0.05345 0.00195 0.00275 116 2PX -0.03264 0.23293 -0.04643 0.03927 -0.11319 117 2PY 0.02285 0.00860 -0.21993 -0.01617 0.01580 118 2PZ 0.02997 -0.09292 0.05104 -0.25262 -0.05114 119 3S 0.01531 0.02172 -0.08800 -0.00289 0.00801 120 3PX -0.02183 0.14503 -0.02750 0.02485 -0.07079 121 3PY 0.01066 0.00302 -0.12981 -0.01001 0.00821 122 3PZ 0.01798 -0.05685 0.03063 -0.15988 -0.03102 123 4XX 0.00004 -0.00355 -0.00128 -0.00004 0.00130 124 4YY -0.00223 0.00225 0.01217 0.00290 -0.00153 125 4ZZ -0.00017 -0.00037 -0.00172 -0.00251 -0.00060 126 4XY 0.00235 -0.01585 0.00332 -0.00233 0.00768 127 4XZ -0.00039 0.00231 -0.00110 0.00263 -0.00023 128 4YZ -0.00206 0.00586 -0.00348 0.01689 0.00347 129 13 C 1S -0.00244 0.00000 0.01936 0.00000 0.00000 130 2S 0.01144 0.00000 -0.04023 0.00000 0.00000 131 2PX 0.12517 -0.00001 -0.11944 0.00000 0.00000 132 2PY 0.00002 0.14692 0.00000 -0.11685 0.32385 133 2PZ 0.28991 -0.00002 -0.08565 0.00000 0.00000 134 3S 0.00733 0.00000 -0.11021 0.00000 0.00000 135 3PX 0.05733 -0.00001 -0.06971 0.00000 0.00000 136 3PY 0.00001 0.06494 0.00000 -0.06163 0.17528 137 3PZ 0.12528 -0.00001 -0.05559 0.00000 0.00000 138 4XX -0.00084 0.00000 0.00242 0.00000 0.00000 139 4YY 0.01603 0.00000 -0.00030 0.00000 0.00000 140 4ZZ -0.02091 0.00000 0.00158 0.00000 0.00000 141 4XY 0.00000 0.00267 0.00000 -0.00580 0.00774 142 4XZ 0.00067 0.00000 -0.00535 0.00000 0.00000 143 4YZ 0.00000 0.00389 0.00000 -0.00256 0.00946 144 14 H 1S -0.19432 0.00001 0.02973 0.00000 0.00000 145 2S -0.17440 0.00001 0.02748 0.00000 0.00000 146 15 H 1S -0.02855 0.00000 0.04530 0.00000 0.00000 147 2S -0.02431 0.00000 0.04786 0.00000 0.00000 148 16 C 1S -0.00987 -0.00148 0.00242 0.00167 -0.00042 149 2S 0.01767 -0.00407 -0.01283 0.00075 -0.00421 150 2PX -0.11950 0.08416 -0.00816 0.00472 0.12704 151 2PY 0.01250 -0.06568 -0.12577 0.11297 -0.17505 152 2PZ -0.22785 0.06399 -0.01611 -0.05672 0.15609 153 3S 0.05286 0.03104 0.02781 -0.03267 0.03758 154 3PX -0.04765 0.05804 -0.01416 0.00761 0.05371 155 3PY 0.00835 -0.01355 -0.01443 0.02065 -0.04644 156 3PZ -0.07676 0.04228 -0.00516 -0.04268 0.06170 157 4XX 0.00019 -0.00030 0.00026 0.00401 -0.00530 158 4YY 0.01290 0.00165 0.00387 -0.00617 0.00724 159 4ZZ -0.01279 -0.00219 -0.00230 0.00205 -0.00049 160 4XY -0.00411 0.00291 0.00486 -0.00334 0.00693 161 4XZ -0.00421 -0.00112 0.00001 0.00027 -0.00382 162 4YZ -0.00203 0.00386 0.00835 -0.00359 0.00810 163 17 H 1S 0.05784 0.02726 0.08225 -0.06834 0.08352 164 2S 0.05093 0.03673 0.08015 -0.06584 0.07957 165 18 C 1S 0.01549 0.01052 -0.01078 -0.00456 0.00792 166 2S -0.03475 -0.01895 0.02735 0.00539 -0.00792 167 2PX 0.01161 0.00162 -0.02099 0.02040 -0.02214 168 2PY 0.15115 0.01198 0.20560 0.00504 -0.00133 169 2PZ 0.20464 -0.07667 -0.02530 0.01882 -0.12813 170 3S -0.05547 -0.07407 0.02106 0.06147 -0.09175 171 3PX 0.00137 0.01217 -0.00362 0.00506 0.00139 172 3PY 0.06686 -0.00666 0.06554 0.01957 -0.04500 173 3PZ 0.08683 -0.01484 0.00333 -0.02190 -0.01836 174 4XX 0.00278 0.00056 -0.00100 -0.00005 -0.00046 175 4YY 0.00329 0.00027 0.00625 -0.00258 0.00190 176 4ZZ -0.00236 -0.00144 -0.01061 0.00231 -0.00234 177 4XY -0.00173 0.00061 0.00222 -0.00231 0.00309 178 4XZ 0.00249 -0.00357 -0.00452 0.00035 -0.00442 179 4YZ -0.00085 0.00747 0.00545 -0.00363 0.01342 180 19 H 1S 0.02882 -0.05923 -0.08948 0.02167 -0.09115 181 2S 0.03414 -0.04918 -0.09356 0.03475 -0.10370 182 20 C 1S -0.00987 0.00148 0.00242 -0.00167 0.00042 183 2S 0.01768 0.00407 -0.01283 -0.00075 0.00421 184 2PX -0.11951 -0.08414 -0.00815 -0.00472 -0.12703 185 2PY -0.01252 -0.06567 0.12577 0.11298 -0.17505 186 2PZ -0.22786 -0.06395 -0.01611 0.05672 -0.15608 187 3S 0.05286 -0.03105 0.02781 0.03268 -0.03758 188 3PX -0.04766 -0.05803 -0.01416 -0.00761 -0.05370 189 3PY -0.00836 -0.01355 0.01443 0.02065 -0.04644 190 3PZ -0.07677 -0.04227 -0.00516 0.04268 -0.06170 191 4XX 0.00019 0.00030 0.00026 -0.00401 0.00530 192 4YY 0.01290 -0.00165 0.00387 0.00617 -0.00724 193 4ZZ -0.01279 0.00219 -0.00230 -0.00205 0.00049 194 4XY 0.00411 0.00291 -0.00486 -0.00334 0.00693 195 4XZ -0.00421 0.00112 0.00001 -0.00027 0.00382 196 4YZ 0.00203 0.00386 -0.00835 -0.00359 0.00810 197 21 H 1S 0.05783 -0.02726 0.08225 0.06834 -0.08352 198 2S 0.05092 -0.03674 0.08015 0.06584 -0.07957 199 22 C 1S 0.01549 -0.01052 -0.01078 0.00456 -0.00792 200 2S -0.03474 0.01896 0.02735 -0.00539 0.00792 201 2PX 0.01161 -0.00163 -0.02099 -0.02041 0.02215 202 2PY -0.15115 0.01200 -0.20560 0.00503 -0.00132 203 2PZ 0.20464 0.07664 -0.02530 -0.01882 0.12812 204 3S -0.05546 0.07408 0.02105 -0.06147 0.09175 205 3PX 0.00136 -0.01217 -0.00362 -0.00506 -0.00139 206 3PY -0.06686 -0.00665 -0.06554 0.01957 -0.04500 207 3PZ 0.08683 0.01483 0.00333 0.02190 0.01836 208 4XX 0.00278 -0.00056 -0.00100 0.00005 0.00046 209 4YY 0.00329 -0.00027 0.00625 0.00258 -0.00190 210 4ZZ -0.00236 0.00144 -0.01061 -0.00231 0.00234 211 4XY 0.00173 0.00061 -0.00222 -0.00231 0.00309 212 4XZ 0.00249 0.00357 -0.00452 -0.00035 0.00442 213 4YZ 0.00086 0.00747 -0.00545 -0.00364 0.01342 214 23 H 1S 0.02883 0.05922 -0.08948 -0.02167 0.09115 215 2S 0.03414 0.04917 -0.09356 -0.03475 0.10370 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 0.00113 -0.00538 0.01714 0.00135 -0.02258 2 2S -0.00993 0.01227 -0.02626 -0.00003 0.04223 3 2PX -0.10178 -0.05818 0.04381 0.23205 -0.08973 4 2PY 0.04684 0.02914 -0.00934 0.03795 0.14412 5 2PZ 0.04385 0.05578 -0.15159 -0.09925 0.15425 6 3S 0.01627 0.02826 -0.16222 0.00865 0.14803 7 3PX -0.05403 -0.03566 0.05125 0.17299 -0.07543 8 3PY 0.01601 0.02079 0.04316 0.00273 0.08776 9 3PZ 0.04911 0.02263 -0.10527 -0.08212 0.11504 10 4XX 0.00109 0.00051 -0.00382 0.00280 -0.00059 11 4YY -0.00247 0.00055 0.00283 -0.00266 -0.00338 12 4ZZ 0.00189 -0.00099 0.00215 0.00105 0.00100 13 4XY 0.00248 0.00087 0.00242 -0.00867 0.00495 14 4XZ -0.00395 0.00001 0.00607 -0.00096 0.00266 15 4YZ -0.00351 -0.00022 -0.01037 0.00395 -0.00477 16 2 C 1S 0.00113 -0.00538 -0.01714 0.00135 -0.02258 17 2S -0.00993 0.01227 0.02626 -0.00003 0.04223 18 2PX -0.10178 -0.05818 -0.04384 0.23205 -0.08973 19 2PY -0.04684 -0.02914 -0.00934 -0.03795 -0.14412 20 2PZ 0.04385 0.05578 0.15161 -0.09924 0.15424 21 3S 0.01627 0.02825 0.16223 0.00867 0.14803 22 3PX -0.05403 -0.03567 -0.05127 0.17298 -0.07542 23 3PY -0.01601 -0.02079 0.04315 -0.00273 -0.08776 24 3PZ 0.04911 0.02263 0.10528 -0.08211 0.11504 25 4XX 0.00109 0.00051 0.00382 0.00280 -0.00059 26 4YY -0.00247 0.00055 -0.00283 -0.00266 -0.00338 27 4ZZ 0.00189 -0.00099 -0.00215 0.00105 0.00100 28 4XY -0.00248 -0.00087 0.00242 0.00867 -0.00495 29 4XZ -0.00395 0.00001 -0.00607 -0.00096 0.00266 30 4YZ 0.00351 0.00022 -0.01037 -0.00395 0.00478 31 3 C 1S 0.00648 -0.00003 0.00635 0.00086 -0.00234 32 2S -0.01638 -0.00175 -0.01944 -0.00748 0.01074 33 2PX 0.07317 -0.03288 -0.02590 -0.02502 -0.03920 34 2PY -0.00027 -0.00034 -0.02094 -0.00756 0.00754 35 2PZ -0.04256 0.02609 -0.04499 -0.03713 -0.02632 36 3S -0.01133 0.00560 -0.00212 0.01513 -0.01401 37 3PX 0.03882 -0.02217 0.00570 0.01911 0.03655 38 3PY -0.03026 0.00076 -0.01803 -0.00286 0.00548 39 3PZ -0.03376 0.02795 -0.00879 0.02840 0.03230 40 4XX 0.00750 0.00943 0.00883 -0.00504 0.01010 41 4YY -0.00395 0.00172 -0.00279 0.00344 -0.00450 42 4ZZ -0.00210 -0.01146 -0.00642 0.00064 -0.00497 43 4XY -0.00654 0.01267 -0.01940 -0.00740 -0.02254 44 4XZ -0.00269 0.00422 -0.00352 0.00018 0.00075 45 4YZ 0.00763 -0.01235 -0.00587 -0.02379 -0.00851 46 4 C 1S 0.00034 0.00098 0.02012 0.01397 0.01025 47 2S -0.00655 0.00039 -0.04409 -0.03361 -0.01607 48 2PX 0.03926 0.26640 0.05715 0.04239 0.01794 49 2PY 0.00003 0.01744 0.02529 0.09602 0.10385 50 2PZ -0.04158 -0.22971 0.06361 0.05864 0.06353 51 3S 0.01947 -0.01743 -0.12860 -0.08643 -0.08547 52 3PX 0.01402 0.18708 0.03317 0.02348 0.01670 53 3PY 0.00063 0.01119 -0.01976 0.04892 0.04480 54 3PZ -0.02658 -0.16201 0.02693 0.03561 0.04423 55 4XX -0.00056 -0.00100 0.00116 -0.00169 0.00001 56 4YY -0.00105 0.00067 0.00163 0.00160 0.00346 57 4ZZ 0.00038 0.00045 -0.00014 -0.00065 -0.00218 58 4XY 0.00013 0.01231 -0.00466 0.00101 -0.00035 59 4XZ -0.00164 -0.00031 -0.00086 -0.00194 -0.00070 60 4YZ -0.00003 -0.01062 -0.00393 0.00095 0.00341 61 5 C 1S 0.00034 0.00098 -0.02012 0.01397 0.01025 62 2S -0.00655 0.00039 0.04409 -0.03360 -0.01607 63 2PX 0.03926 0.26640 -0.05716 0.04238 0.01795 64 2PY -0.00003 -0.01744 0.02529 -0.09602 -0.10385 65 2PZ -0.04159 -0.22971 -0.06361 0.05863 0.06354 66 3S 0.01947 -0.01743 0.12860 -0.08642 -0.08547 67 3PX 0.01402 0.18708 -0.03317 0.02347 0.01670 68 3PY -0.00063 -0.01119 -0.01976 -0.04892 -0.04480 69 3PZ -0.02658 -0.16201 -0.02693 0.03560 0.04423 70 4XX -0.00056 -0.00100 -0.00116 -0.00169 0.00001 71 4YY -0.00105 0.00067 -0.00163 0.00160 0.00346 72 4ZZ 0.00038 0.00045 0.00014 -0.00065 -0.00218 73 4XY -0.00013 -0.01231 -0.00466 -0.00101 0.00035 74 4XZ -0.00164 -0.00031 0.00086 -0.00194 -0.00070 75 4YZ 0.00003 0.01062 -0.00393 -0.00095 -0.00341 76 6 C 1S 0.00648 -0.00003 -0.00635 0.00086 -0.00234 77 2S -0.01638 -0.00175 0.01944 -0.00748 0.01074 78 2PX 0.07317 -0.03288 0.02591 -0.02502 -0.03921 79 2PY 0.00027 0.00034 -0.02094 0.00756 -0.00754 80 2PZ -0.04256 0.02609 0.04499 -0.03713 -0.02632 81 3S -0.01133 0.00560 0.00212 0.01513 -0.01401 82 3PX 0.03882 -0.02217 -0.00570 0.01911 0.03655 83 3PY 0.03026 -0.00076 -0.01803 0.00286 -0.00548 84 3PZ -0.03376 0.02795 0.00879 0.02840 0.03230 85 4XX 0.00750 0.00943 -0.00883 -0.00504 0.01010 86 4YY -0.00395 0.00172 0.00279 0.00345 -0.00450 87 4ZZ -0.00210 -0.01146 0.00642 0.00064 -0.00498 88 4XY 0.00655 -0.01267 -0.01940 0.00739 0.02254 89 4XZ -0.00269 0.00422 0.00352 0.00018 0.00075 90 4YZ -0.00763 0.01235 -0.00587 0.02379 0.00851 91 7 H 1S 0.01026 -0.00261 0.07386 0.01148 0.01205 92 2S 0.01318 -0.01980 0.09730 -0.00429 -0.01387 93 8 H 1S 0.01026 -0.00261 -0.07386 0.01147 0.01205 94 2S 0.01318 -0.01980 -0.09730 -0.00430 -0.01386 95 9 H 1S -0.00492 -0.00160 0.03068 -0.01156 -0.01678 96 2S -0.00482 0.00130 0.05643 0.01194 -0.00022 97 10 H 1S -0.00492 -0.00160 -0.03068 -0.01156 -0.01677 98 2S -0.00482 0.00130 -0.05643 0.01194 -0.00022 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 0.13312 -0.13458 0.24231 0.10017 0.30906 102 2PY 0.02415 -0.04754 0.04030 -0.00281 0.02059 103 2PZ -0.10002 0.15720 0.05798 0.28919 0.15059 104 3S -0.03384 0.00598 -0.01802 -0.00913 0.00977 105 3PX 0.09114 -0.09734 0.17666 0.06870 0.22301 106 3PY 0.00648 -0.03139 0.02248 -0.00710 0.01979 107 3PZ -0.06857 0.11154 0.04127 0.20937 0.10350 108 4XX 0.00093 0.00230 -0.00039 -0.00067 -0.00288 109 4YY 0.00375 -0.00385 0.00324 -0.00027 0.00149 110 4ZZ 0.00087 -0.00035 0.00060 0.00296 -0.00004 111 4XY 0.00787 -0.00654 0.00927 0.00284 0.01109 112 4XZ 0.00153 -0.00151 0.00044 -0.00167 0.00069 113 4YZ -0.00557 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 0.13312 -0.13458 -0.24231 0.10015 0.30907 117 2PY -0.02415 0.04754 0.04030 0.00281 -0.02059 118 2PZ -0.10003 0.15720 -0.05800 0.28919 0.15059 119 3S -0.03384 0.00598 0.01802 -0.00913 0.00977 120 3PX 0.09114 -0.09735 -0.17666 0.06868 0.22302 121 3PY -0.00647 0.03139 0.02248 0.00710 -0.01979 122 3PZ -0.06857 0.11154 -0.04129 0.20936 0.10350 123 4XX 0.00093 0.00230 0.00039 -0.00067 -0.00288 124 4YY 0.00375 -0.00385 -0.00324 -0.00027 0.00149 125 4ZZ 0.00087 -0.00035 -0.00060 0.00296 -0.00004 126 4XY -0.00787 0.00654 0.00927 -0.00284 -0.01109 127 4XZ 0.00153 -0.00151 -0.00044 -0.00167 0.00069 128 4YZ 0.00557 -0.00750 0.00109 -0.01054 -0.00478 129 13 C 1S 0.00400 0.00243 0.00000 -0.01677 0.01213 130 2S 0.00127 -0.01048 0.00000 0.04642 -0.02767 131 2PX -0.17471 -0.03309 0.00000 0.05318 -0.02977 132 2PY 0.00000 0.00000 -0.00132 0.00000 0.00000 133 2PZ 0.11332 0.00662 0.00000 0.01731 -0.02639 134 3S -0.07661 0.00945 0.00000 0.04221 -0.05215 135 3PX -0.11275 -0.01232 0.00000 -0.01282 0.00528 136 3PY 0.00000 0.00000 0.01435 0.00000 0.00000 137 3PZ 0.00269 0.01691 0.00000 -0.01567 0.00435 138 4XX 0.02233 0.00393 0.00000 -0.00503 0.00268 139 4YY -0.00295 -0.00205 0.00000 0.00431 -0.00267 140 4ZZ -0.01702 -0.00245 0.00000 -0.00001 0.00236 141 4XY 0.00000 0.00000 -0.01160 0.00000 0.00000 142 4XZ -0.00518 -0.00129 0.00000 0.00435 -0.00240 143 4YZ 0.00000 0.00000 0.00720 0.00000 0.00000 144 14 H 1S -0.10721 -0.01273 0.00000 0.00294 0.00811 145 2S -0.13437 -0.00788 0.00000 -0.01918 0.03186 146 15 H 1S 0.15831 0.02749 0.00000 -0.02920 0.01136 147 2S 0.15900 0.03696 0.00000 -0.07548 0.04157 148 16 C 1S -0.00127 0.00430 -0.01455 -0.01223 0.00826 149 2S -0.00748 -0.01362 0.03061 0.02544 -0.01875 150 2PX 0.13534 0.03094 0.21982 -0.00958 0.00839 151 2PY -0.01291 0.00353 0.04125 0.01484 -0.00800 152 2PZ -0.06197 -0.00583 -0.13116 -0.02205 0.01081 153 3S 0.06674 -0.00913 0.04829 0.06983 -0.02992 154 3PX 0.07225 0.04169 0.15277 -0.00155 -0.00718 155 3PY 0.04082 -0.00045 -0.01030 0.01742 -0.02174 156 3PZ -0.03344 -0.00467 -0.11923 -0.01199 -0.00407 157 4XX 0.00926 0.00237 0.00502 -0.00422 0.00373 158 4YY 0.00042 -0.00224 -0.00221 0.00503 -0.00446 159 4ZZ -0.00842 -0.00030 -0.00344 -0.00530 0.00442 160 4XY 0.00317 0.00017 0.00056 -0.00011 -0.00077 161 4XZ 0.00639 -0.00218 0.00332 0.01054 -0.00945 162 4YZ 0.00089 -0.00005 -0.00219 -0.00018 -0.00002 163 17 H 1S 0.00614 -0.01258 -0.02143 0.01640 -0.01649 164 2S 0.01264 -0.00089 -0.06665 0.01060 -0.04447 165 18 C 1S 0.00616 -0.00206 0.00457 0.00183 -0.00127 166 2S -0.01293 0.01097 -0.01858 0.00172 -0.00374 167 2PX 0.24944 -0.01707 0.13538 0.17057 -0.16175 168 2PY 0.03659 0.00216 0.01402 0.01401 -0.01300 169 2PZ -0.04332 0.01921 -0.00433 -0.04950 0.05131 170 3S -0.03076 -0.00254 0.07127 -0.03236 0.03256 171 3PX 0.15938 -0.02917 0.08851 0.12405 -0.11871 172 3PY 0.01234 -0.00604 0.04364 0.01011 -0.00737 173 3PZ -0.01905 0.01696 -0.05345 -0.03286 0.02821 174 4XX -0.00160 -0.00135 -0.00360 -0.00061 0.00023 175 4YY 0.00021 0.00120 -0.00050 0.00103 -0.00121 176 4ZZ 0.00184 0.00169 0.00513 0.00175 -0.00102 177 4XY 0.00806 -0.00135 -0.00883 0.00642 -0.00633 178 4XZ -0.00690 -0.00099 -0.00689 0.00120 -0.00117 179 4YZ -0.00218 0.00014 -0.00075 -0.00297 0.00273 180 19 H 1S 0.00342 0.00805 0.01985 0.00571 -0.00381 181 2S -0.01127 -0.00374 0.03731 0.01309 -0.00646 182 20 C 1S -0.00127 0.00430 0.01456 -0.01223 0.00826 183 2S -0.00748 -0.01362 -0.03061 0.02543 -0.01875 184 2PX 0.13534 0.03094 -0.21982 -0.00960 0.00839 185 2PY 0.01291 -0.00353 0.04125 -0.01484 0.00800 186 2PZ -0.06197 -0.00583 0.13117 -0.02203 0.01081 187 3S 0.06674 -0.00913 -0.04829 0.06982 -0.02992 188 3PX 0.07225 0.04169 -0.15277 -0.00156 -0.00717 189 3PY -0.04082 0.00045 -0.01030 -0.01742 0.02174 190 3PZ -0.03344 -0.00467 0.11924 -0.01198 -0.00407 191 4XX 0.00926 0.00237 -0.00502 -0.00422 0.00373 192 4YY 0.00042 -0.00224 0.00221 0.00503 -0.00446 193 4ZZ -0.00842 -0.00030 0.00344 -0.00530 0.00442 194 4XY -0.00317 -0.00017 0.00056 0.00011 0.00077 195 4XZ 0.00639 -0.00218 -0.00332 0.01054 -0.00945 196 4YZ -0.00089 0.00005 -0.00219 0.00018 0.00002 197 21 H 1S 0.00614 -0.01258 0.02142 0.01640 -0.01649 198 2S 0.01264 -0.00089 0.06665 0.01061 -0.04447 199 22 C 1S 0.00616 -0.00206 -0.00457 0.00183 -0.00127 200 2S -0.01293 0.01097 0.01858 0.00172 -0.00375 201 2PX 0.24944 -0.01707 -0.13540 0.17056 -0.16174 202 2PY -0.03659 -0.00216 0.01402 -0.01401 0.01300 203 2PZ -0.04332 0.01921 0.00434 -0.04950 0.05131 204 3S -0.03076 -0.00254 -0.07126 -0.03237 0.03257 205 3PX 0.15938 -0.02917 -0.08853 0.12404 -0.11871 206 3PY -0.01235 0.00604 0.04364 -0.01011 0.00737 207 3PZ -0.01905 0.01696 0.05346 -0.03285 0.02821 208 4XX -0.00160 -0.00135 0.00360 -0.00061 0.00023 209 4YY 0.00021 0.00120 0.00050 0.00103 -0.00121 210 4ZZ 0.00184 0.00169 -0.00513 0.00175 -0.00102 211 4XY -0.00806 0.00135 -0.00883 -0.00642 0.00633 212 4XZ -0.00690 -0.00099 0.00689 0.00120 -0.00117 213 4YZ 0.00218 -0.00014 -0.00075 0.00297 -0.00273 214 23 H 1S 0.00342 0.00805 -0.01985 0.00571 -0.00380 215 2S -0.01127 -0.00374 -0.03731 0.01308 -0.00645 46 47 48 49 50 O V V V V Eigenvalues -- -0.24114 -0.09080 -0.03741 -0.02162 0.04090 1 1 C 1S 0.03173 0.00883 0.01293 -0.02453 -0.00802 2 2S -0.06385 -0.01382 -0.03921 0.05457 0.00855 3 2PX -0.14249 0.08640 0.08225 -0.21791 -0.15535 4 2PY -0.04347 -0.02123 -0.01049 0.03385 0.04548 5 2PZ -0.03376 -0.05254 -0.06991 0.16763 0.10098 6 3S -0.23116 -0.04183 0.00620 0.02779 0.10793 7 3PX -0.09811 0.08717 0.11542 -0.33309 -0.18486 8 3PY 0.02684 -0.01935 0.01474 0.15765 0.07077 9 3PZ -0.01161 -0.07657 -0.09375 0.13593 0.12248 10 4XX 0.00294 0.01156 0.01592 -0.00180 0.01425 11 4YY 0.00218 -0.00090 -0.00290 -0.00212 -0.00254 12 4ZZ 0.00343 -0.00608 -0.00786 -0.00231 -0.01454 13 4XY -0.00900 0.00379 -0.00630 -0.01057 0.01453 14 4XZ -0.00467 -0.00364 -0.01199 0.00055 0.00524 15 4YZ -0.00224 -0.00353 0.00422 0.00905 -0.01509 16 2 C 1S -0.03173 -0.00883 0.01293 0.02453 -0.00802 17 2S 0.06385 0.01382 -0.03921 -0.05457 0.00855 18 2PX 0.14249 -0.08641 0.08224 0.21791 -0.15535 19 2PY -0.04347 -0.02123 0.01049 0.03386 -0.04548 20 2PZ 0.03376 0.05254 -0.06991 -0.16763 0.10098 21 3S 0.23116 0.04183 0.00620 -0.02779 0.10793 22 3PX 0.09811 -0.08717 0.11541 0.33310 -0.18486 23 3PY 0.02684 -0.01936 -0.01474 0.15766 -0.07077 24 3PZ 0.01161 0.07657 -0.09375 -0.13593 0.12248 25 4XX -0.00294 -0.01156 0.01592 0.00180 0.01425 26 4YY -0.00218 0.00090 -0.00290 0.00212 -0.00254 27 4ZZ -0.00343 0.00608 -0.00786 0.00231 -0.01454 28 4XY -0.00900 0.00379 0.00630 -0.01057 -0.01453 29 4XZ 0.00467 0.00364 -0.01199 -0.00056 0.00524 30 4YZ -0.00224 -0.00353 -0.00422 0.00905 0.01509 31 3 C 1S -0.00443 0.00168 0.00393 -0.00376 -0.00064 32 2S 0.01623 -0.00168 -0.01580 0.00286 0.00406 33 2PX -0.08193 -0.16408 0.11462 -0.00280 0.24306 34 2PY 0.01100 -0.04161 0.00967 0.01098 0.06018 35 2PZ -0.08538 0.16412 -0.07428 -0.03994 -0.26711 36 3S -0.02185 -0.03536 -0.00589 0.04217 -0.01780 37 3PX -0.00042 -0.11387 0.11974 0.00242 0.31220 38 3PY 0.00199 -0.00476 -0.00467 -0.13076 0.09505 39 3PZ -0.00142 0.11564 -0.06720 -0.02226 -0.27350 40 4XX 0.00104 -0.00335 -0.00581 -0.01895 -0.00130 41 4YY 0.00042 -0.00541 0.00118 0.00212 0.00406 42 4ZZ -0.00162 0.00786 0.00329 0.01604 -0.00413 43 4XY -0.01606 -0.01721 0.00786 -0.00192 0.00829 44 4XZ 0.00297 -0.00374 0.00006 -0.00598 0.00218 45 4YZ -0.02510 0.01646 -0.00631 -0.00322 -0.00626 46 4 C 1S 0.02951 -0.00071 -0.00253 0.00383 0.00669 47 2S -0.05927 0.00097 0.01593 -0.01935 -0.02117 48 2PX 0.08415 -0.18442 -0.07768 -0.13706 -0.09297 49 2PY 0.03728 -0.00772 -0.00681 0.01235 -0.01118 50 2PZ 0.08494 0.15743 0.05695 0.13846 0.05977 51 3S -0.22747 -0.01891 -0.02080 0.07874 -0.09266 52 3PX 0.04606 -0.19517 -0.06142 -0.23935 -0.13443 53 3PY -0.04035 -0.03612 0.00701 0.05761 0.03441 54 3PZ 0.03389 0.17702 0.04790 0.15388 0.07145 55 4XX 0.00114 0.00640 -0.00774 0.00061 -0.01393 56 4YY 0.00268 0.00134 0.00136 -0.00181 -0.00442 57 4ZZ 0.00154 -0.00847 0.00820 0.00027 0.01752 58 4XY -0.00623 0.01279 -0.00547 0.00772 -0.01508 59 4XZ 0.00066 0.00061 -0.00006 -0.00004 -0.00150 60 4YZ -0.00629 -0.00927 0.00372 -0.00886 0.00640 61 5 C 1S -0.02951 0.00071 -0.00253 -0.00383 0.00669 62 2S 0.05927 -0.00097 0.01593 0.01935 -0.02117 63 2PX -0.08415 0.18442 -0.07768 0.13705 -0.09297 64 2PY 0.03727 -0.00772 0.00681 0.01235 0.01118 65 2PZ -0.08494 -0.15743 0.05695 -0.13846 0.05977 66 3S 0.22747 0.01891 -0.02079 -0.07875 -0.09266 67 3PX -0.04606 0.19517 -0.06142 0.23934 -0.13443 68 3PY -0.04035 -0.03612 -0.00702 0.05761 -0.03442 69 3PZ -0.03389 -0.17702 0.04790 -0.15388 0.07145 70 4XX -0.00114 -0.00640 -0.00774 -0.00061 -0.01393 71 4YY -0.00268 -0.00134 0.00136 0.00181 -0.00442 72 4ZZ -0.00154 0.00847 0.00820 -0.00027 0.01752 73 4XY -0.00623 0.01279 0.00547 0.00772 0.01508 74 4XZ -0.00066 -0.00061 -0.00006 0.00004 -0.00150 75 4YZ -0.00629 -0.00927 -0.00372 -0.00886 -0.00640 76 6 C 1S 0.00443 -0.00168 0.00393 0.00376 -0.00064 77 2S -0.01623 0.00168 -0.01580 -0.00286 0.00406 78 2PX 0.08193 0.16408 0.11462 0.00281 0.24306 79 2PY 0.01101 -0.04161 -0.00967 0.01098 -0.06017 80 2PZ 0.08538 -0.16412 -0.07428 0.03994 -0.26711 81 3S 0.02185 0.03536 -0.00589 -0.04218 -0.01780 82 3PX 0.00042 0.11387 0.11974 -0.00241 0.31220 83 3PY 0.00199 -0.00476 0.00467 -0.13076 -0.09505 84 3PZ 0.00142 -0.11564 -0.06720 0.02226 -0.27350 85 4XX -0.00104 0.00335 -0.00581 0.01895 -0.00130 86 4YY -0.00042 0.00541 0.00118 -0.00212 0.00406 87 4ZZ 0.00162 -0.00786 0.00329 -0.01604 -0.00413 88 4XY -0.01606 -0.01721 -0.00786 -0.00192 -0.00829 89 4XZ -0.00297 0.00374 0.00006 0.00598 0.00217 90 4YZ -0.02510 0.01646 0.00631 -0.00322 0.00626 91 7 H 1S 0.01687 -0.01635 -0.03844 -0.03281 0.00223 92 2S 0.06280 -0.03333 -0.11177 -0.13647 -0.03603 93 8 H 1S -0.01687 0.01635 -0.03845 0.03281 0.00223 94 2S -0.06280 0.03333 -0.11177 0.13647 -0.03603 95 9 H 1S 0.04682 -0.00723 0.00305 0.00132 0.01779 96 2S 0.09495 -0.02194 0.00674 0.04456 0.12639 97 10 H 1S -0.04682 0.00723 0.00305 -0.00132 0.01779 98 2S -0.09495 0.02193 0.00674 -0.04456 0.12639 99 11 O 1S -0.00020 -0.00210 0.00118 0.00416 -0.00159 100 2S -0.00098 0.00392 -0.00114 0.00744 0.00044 101 2PX 0.17447 0.19928 -0.07698 0.01381 -0.16447 102 2PY -0.00692 0.05236 -0.01715 -0.00125 -0.03192 103 2PZ 0.29083 -0.18469 0.06519 0.02534 0.17234 104 3S 0.00882 0.02664 -0.02076 -0.11889 0.03068 105 3PX 0.12732 0.17394 -0.08656 0.01382 -0.18817 106 3PY -0.00073 0.05231 -0.02521 -0.03582 -0.02903 107 3PZ 0.21382 -0.16392 0.06617 0.01922 0.19065 108 4XX -0.00214 -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 -0.00173 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 0.00927 -0.00182 -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 -0.00744 0.00044 116 2PX -0.17447 -0.19928 -0.07698 -0.01381 -0.16447 117 2PY -0.00692 0.05236 0.01715 -0.00125 0.03192 118 2PZ -0.29082 0.18469 0.06519 -0.02534 0.17234 119 3S -0.00882 -0.02664 -0.02076 0.11889 0.03068 120 3PX -0.12732 -0.17395 -0.08656 -0.01382 -0.18817 121 3PY -0.00073 0.05231 0.02521 -0.03582 0.02903 122 3PZ -0.21382 0.16392 0.06617 -0.01922 0.19065 123 4XX 0.00214 0.00247 0.00090 -0.00262 -0.00200 124 4YY 0.00051 -0.00145 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 0.00070 -0.00056 -0.00047 0.00095 0.00111 128 4YZ 0.00927 -0.00182 0.00016 -0.00143 0.00362 129 13 C 1S 0.00000 0.00000 0.00287 0.00000 0.02277 130 2S 0.00000 0.00000 -0.01519 0.00000 -0.04693 131 2PX 0.00000 0.00000 -0.03013 0.00000 -0.01467 132 2PY -0.00273 0.01563 0.00000 -0.08886 0.00000 133 2PZ 0.00000 0.00000 -0.03693 0.00000 0.00562 134 3S 0.00000 0.00000 0.01961 0.00000 -0.30711 135 3PX 0.00000 0.00000 0.01552 0.00000 0.08568 136 3PY -0.00589 0.01035 0.00000 -0.12048 0.00000 137 3PZ 0.00000 0.00000 -0.08849 0.00000 -0.03178 138 4XX 0.00000 0.00000 0.02534 0.00000 -0.00297 139 4YY 0.00000 0.00000 -0.01141 0.00000 0.00051 140 4ZZ 0.00000 0.00000 -0.01504 0.00000 0.00218 141 4XY 0.00876 0.00677 0.00000 0.00274 0.00000 142 4XZ 0.00000 0.00000 0.00238 0.00000 -0.00388 143 4YZ -0.00563 -0.00315 0.00000 -0.00062 0.00000 144 14 H 1S 0.00000 0.00000 -0.05605 0.00000 0.00834 145 2S 0.00000 0.00000 -0.21790 0.00000 0.12684 146 15 H 1S 0.00000 0.00000 0.11557 0.00000 -0.00738 147 2S 0.00000 0.00000 0.30992 0.00000 0.11944 148 16 C 1S 0.01082 0.01448 -0.02227 -0.00478 0.00860 149 2S -0.02191 -0.03489 0.03352 0.02528 -0.02230 150 2PX -0.16099 -0.11121 0.32926 0.01530 -0.10608 151 2PY -0.03893 -0.02454 0.00954 -0.00018 -0.00173 152 2PZ 0.07914 0.05165 -0.12262 0.01086 0.06156 153 3S -0.03102 -0.07313 0.18623 -0.07991 -0.04882 154 3PX -0.12876 -0.12851 0.39657 0.00968 -0.19773 155 3PY -0.01950 -0.02178 0.02962 -0.03145 0.05715 156 3PZ 0.08055 0.05566 -0.11088 0.00012 0.06209 157 4XX -0.00186 0.00328 -0.00779 -0.00115 0.00286 158 4YY 0.00207 -0.00053 -0.00053 0.00330 -0.00311 159 4ZZ 0.00081 0.00078 0.00037 -0.00628 0.00194 160 4XY -0.00013 -0.00022 -0.00140 -0.00010 0.00733 161 4XZ -0.00262 -0.00627 -0.00271 0.01985 -0.00435 162 4YZ 0.00110 -0.00017 0.00048 -0.00033 0.00040 163 17 H 1S 0.02135 0.00200 -0.01072 0.02210 0.00085 164 2S 0.02042 -0.00221 -0.03330 0.03075 0.07757 165 18 C 1S -0.00079 0.00214 0.00165 0.00343 0.00037 166 2S 0.00625 -0.01700 0.00481 -0.00853 0.00796 167 2PX -0.09692 -0.08289 -0.15144 0.25302 0.06004 168 2PY -0.00825 0.00427 -0.00671 0.00238 -0.00760 169 2PZ 0.02138 0.02260 0.05377 -0.10632 -0.03236 170 3S -0.04291 0.03232 -0.05825 0.01770 -0.03403 171 3PX -0.06588 -0.05570 -0.20039 0.33007 0.07937 172 3PY -0.01939 0.01139 0.00677 0.03812 0.00147 173 3PZ 0.03646 -0.00495 0.09534 -0.17966 -0.02082 174 4XX 0.00232 0.00306 -0.00809 -0.00020 0.00281 175 4YY 0.00097 -0.00051 0.00036 0.00120 0.00014 176 4ZZ -0.00354 -0.00495 0.00941 0.00062 -0.00126 177 4XY 0.00633 0.00489 -0.01210 -0.01308 0.00887 178 4XZ 0.00455 0.00206 -0.01339 -0.00008 0.00615 179 4YZ -0.00062 -0.00031 0.00323 0.00570 -0.00354 180 19 H 1S -0.00730 -0.01517 0.00020 -0.00059 0.00976 181 2S -0.01191 0.00560 0.01244 0.05516 0.02875 182 20 C 1S -0.01082 -0.01448 -0.02226 0.00478 0.00860 183 2S 0.02191 0.03489 0.03352 -0.02528 -0.02230 184 2PX 0.16099 0.11121 0.32926 -0.01529 -0.10608 185 2PY -0.03893 -0.02454 -0.00954 -0.00018 0.00173 186 2PZ -0.07914 -0.05165 -0.12262 -0.01086 0.06155 187 3S 0.03102 0.07313 0.18623 0.07992 -0.04881 188 3PX 0.12876 0.12851 0.39657 -0.00967 -0.19773 189 3PY -0.01950 -0.02178 -0.02962 -0.03145 -0.05715 190 3PZ -0.08055 -0.05566 -0.11088 -0.00013 0.06209 191 4XX 0.00186 -0.00328 -0.00779 0.00115 0.00286 192 4YY -0.00207 0.00053 -0.00053 -0.00330 -0.00311 193 4ZZ -0.00081 -0.00078 0.00037 0.00628 0.00194 194 4XY -0.00013 -0.00022 0.00140 -0.00010 -0.00733 195 4XZ 0.00262 0.00627 -0.00270 -0.01985 -0.00435 196 4YZ 0.00110 -0.00017 -0.00048 -0.00033 -0.00040 197 21 H 1S -0.02135 -0.00200 -0.01072 -0.02210 0.00085 198 2S -0.02042 0.00221 -0.03330 -0.03076 0.07756 199 22 C 1S 0.00079 -0.00214 0.00165 -0.00343 0.00037 200 2S -0.00625 0.01700 0.00481 0.00853 0.00796 201 2PX 0.09692 0.08289 -0.15143 -0.25302 0.06004 202 2PY -0.00825 0.00427 0.00671 0.00238 0.00760 203 2PZ -0.02138 -0.02260 0.05377 0.10632 -0.03236 204 3S 0.04291 -0.03232 -0.05825 -0.01770 -0.03403 205 3PX 0.06588 0.05570 -0.20038 -0.33008 0.07937 206 3PY -0.01939 0.01139 -0.00677 0.03812 -0.00147 207 3PZ -0.03646 0.00495 0.09534 0.17967 -0.02081 208 4XX -0.00232 -0.00306 -0.00809 0.00020 0.00281 209 4YY -0.00097 0.00051 0.00036 -0.00120 0.00014 210 4ZZ 0.00354 0.00495 0.00941 -0.00062 -0.00126 211 4XY 0.00633 0.00489 0.01210 -0.01308 -0.00887 212 4XZ -0.00455 -0.00206 -0.01339 0.00008 0.00615 213 4YZ -0.00062 -0.00031 -0.00323 0.00570 0.00354 214 23 H 1S 0.00730 0.01517 0.00020 0.00059 0.00976 215 2S 0.01191 -0.00560 0.01244 -0.05516 0.02875 51 52 53 54 55 V V V V V Eigenvalues -- 0.06874 0.08016 0.10838 0.12069 0.13553 1 1 C 1S -0.00496 -0.04311 -0.03002 -0.01531 -0.00398 2 2S -0.00021 0.06144 0.06099 0.00796 -0.01328 3 2PX -0.08002 -0.06969 -0.02570 -0.06106 -0.01113 4 2PY 0.03103 0.07293 0.03590 0.03005 0.03857 5 2PZ 0.05410 -0.10313 -0.04167 -0.08892 -0.11677 6 3S 0.11262 0.64953 0.41336 0.43209 0.20485 7 3PX -0.06212 -0.16237 -0.04827 -0.06562 -0.14779 8 3PY -0.01262 0.26930 0.16599 0.17580 0.09021 9 3PZ 0.20579 -0.24649 -0.11945 -0.14966 -0.26785 10 4XX -0.01460 -0.00535 -0.00268 -0.00400 0.00551 11 4YY 0.00369 0.00217 0.00598 0.00022 -0.00550 12 4ZZ 0.00580 -0.00775 -0.00630 0.00059 -0.00293 13 4XY -0.00317 0.00763 0.00780 0.00245 0.00904 14 4XZ 0.00645 -0.00267 -0.00429 0.00308 0.00373 15 4YZ 0.00363 0.00611 0.00461 0.00209 0.01384 16 2 C 1S 0.00496 -0.04311 -0.03002 -0.01531 -0.00390 17 2S 0.00021 0.06144 0.06099 0.00796 -0.01344 18 2PX 0.08002 -0.06969 -0.02570 -0.06106 -0.01098 19 2PY 0.03103 -0.07293 -0.03590 -0.03005 -0.03850 20 2PZ -0.05410 -0.10313 -0.04167 -0.08892 -0.11672 21 3S -0.11264 0.64953 0.41336 0.43209 0.20415 22 3PX 0.06213 -0.16235 -0.04827 -0.06562 -0.14722 23 3PY -0.01261 -0.26929 -0.16599 -0.17580 -0.08984 24 3PZ -0.20578 -0.24648 -0.11947 -0.14966 -0.26716 25 4XX 0.01460 -0.00535 -0.00268 -0.00400 0.00551 26 4YY -0.00369 0.00217 0.00598 0.00022 -0.00549 27 4ZZ -0.00580 -0.00775 -0.00630 0.00059 -0.00293 28 4XY -0.00317 -0.00763 -0.00780 -0.00245 -0.00904 29 4XZ -0.00645 -0.00267 -0.00429 0.00308 0.00373 30 4YZ 0.00363 -0.00611 -0.00461 -0.00209 -0.01384 31 3 C 1S 0.00000 -0.00241 -0.00632 0.01059 -0.02297 32 2S -0.00082 0.01952 0.01792 -0.02413 0.04472 33 2PX 0.11095 0.00097 0.01578 -0.04942 -0.09147 34 2PY 0.02875 -0.01229 -0.01972 -0.01037 0.02175 35 2PZ -0.10346 -0.01986 -0.01053 -0.01741 0.00278 36 3S 0.04224 -0.10223 -0.00533 -0.08250 0.26778 37 3PX 0.09222 0.03463 0.02167 0.05942 -0.09415 38 3PY 0.16648 0.07321 -0.11207 -0.11266 0.12315 39 3PZ -0.12895 0.00036 -0.02449 0.10993 0.05828 40 4XX -0.01655 0.00642 0.00810 -0.00409 -0.00419 41 4YY 0.00346 -0.01559 -0.01809 0.01199 -0.00637 42 4ZZ 0.01314 0.00836 0.00792 -0.00408 0.00388 43 4XY 0.00071 0.00565 0.00103 0.00386 0.00358 44 4XZ 0.00149 0.00546 0.00504 -0.00234 0.00013 45 4YZ -0.00359 -0.00100 -0.00360 0.00745 0.00069 46 4 C 1S -0.00459 -0.02062 -0.03695 0.03558 0.01020 47 2S 0.02476 0.04464 0.05265 -0.05446 -0.00817 48 2PX -0.20369 -0.00146 0.07508 -0.12349 -0.00785 49 2PY -0.00468 -0.03704 -0.06419 0.09456 0.02719 50 2PZ 0.16991 0.02120 0.07175 -0.16264 -0.03106 51 3S -0.10401 0.23868 0.59697 -0.74992 -0.23063 52 3PX -0.25402 0.04476 0.13242 -0.29440 0.01172 53 3PY -0.08098 -0.11720 -0.23648 0.34712 0.08445 54 3PZ 0.30979 0.06313 0.16502 -0.32772 -0.02321 55 4XX -0.00560 -0.00350 -0.00749 0.00276 0.00404 56 4YY -0.00074 0.00344 0.00234 -0.00149 -0.00031 57 4ZZ 0.00743 -0.00137 -0.00463 0.00071 -0.00158 58 4XY 0.00977 0.00179 0.00974 -0.00996 0.00241 59 4XZ 0.00029 -0.00435 -0.00745 0.00083 0.00073 60 4YZ -0.00860 0.00440 0.00980 -0.01542 -0.00303 61 5 C 1S 0.00459 -0.02062 -0.03695 0.03558 0.01017 62 2S -0.02476 0.04464 0.05264 -0.05446 -0.00809 63 2PX 0.20369 -0.00146 0.07509 -0.12349 -0.00789 64 2PY -0.00467 0.03704 0.06419 -0.09457 -0.02715 65 2PZ -0.16991 0.02119 0.07174 -0.16264 -0.03101 66 3S 0.10400 0.23867 0.59698 -0.74992 -0.23073 67 3PX 0.25402 0.04477 0.13242 -0.29439 0.01196 68 3PY -0.08098 0.11720 0.23648 -0.34712 -0.08411 69 3PZ -0.30979 0.06313 0.16501 -0.32772 -0.02278 70 4XX 0.00560 -0.00349 -0.00749 0.00276 0.00404 71 4YY 0.00074 0.00344 0.00234 -0.00149 -0.00031 72 4ZZ -0.00743 -0.00137 -0.00463 0.00071 -0.00157 73 4XY 0.00977 -0.00179 -0.00974 0.00996 -0.00241 74 4XZ -0.00029 -0.00435 -0.00745 0.00083 0.00072 75 4YZ -0.00860 -0.00440 -0.00980 0.01542 0.00303 76 6 C 1S 0.00000 -0.00241 -0.00632 0.01059 -0.02295 77 2S 0.00082 0.01952 0.01792 -0.02413 0.04465 78 2PX -0.11095 0.00097 0.01578 -0.04942 -0.09136 79 2PY 0.02875 0.01229 0.01972 0.01037 -0.02171 80 2PZ 0.10346 -0.01985 -0.01053 -0.01741 0.00271 81 3S -0.04223 -0.10223 -0.00533 -0.08250 0.26788 82 3PX -0.09222 0.03463 0.02167 0.05942 -0.09412 83 3PY 0.16647 -0.07322 0.11209 0.11267 -0.12372 84 3PZ 0.12895 0.00037 -0.02449 0.10993 0.05828 85 4XX 0.01655 0.00642 0.00810 -0.00409 -0.00419 86 4YY -0.00346 -0.01559 -0.01809 0.01199 -0.00638 87 4ZZ -0.01314 0.00836 0.00792 -0.00408 0.00388 88 4XY 0.00071 -0.00565 -0.00103 -0.00386 -0.00359 89 4XZ -0.00149 0.00546 0.00504 -0.00234 0.00014 90 4YZ -0.00359 0.00100 0.00360 -0.00745 -0.00069 91 7 H 1S 0.03178 -0.03868 -0.04203 -0.00665 -0.04576 92 2S 0.13934 -0.79217 -0.47019 -0.44733 -0.52900 93 8 H 1S -0.03178 -0.03868 -0.04203 -0.00665 -0.04572 94 2S -0.13932 -0.79216 -0.47020 -0.44733 -0.52772 95 9 H 1S -0.00055 -0.02311 -0.06735 0.06034 0.00844 96 2S -0.04381 -0.29684 -0.74039 1.10457 0.19181 97 10 H 1S 0.00055 -0.02311 -0.06735 0.06034 0.00841 98 2S 0.04383 -0.29684 -0.74038 1.10457 0.19123 99 11 O 1S -0.00550 0.00015 0.01089 0.00022 0.00057 100 2S 0.00396 -0.00950 -0.02419 0.00565 -0.00342 101 2PX -0.05654 -0.01152 0.02108 0.02066 0.02940 102 2PY -0.00315 -0.04541 -0.05326 0.03441 -0.01719 103 2PZ 0.06291 0.00263 -0.00543 -0.01674 -0.02051 104 3S 0.10259 0.06385 -0.11475 -0.05073 0.02478 105 3PX -0.07136 -0.01110 0.00457 0.01767 0.04700 106 3PY 0.01934 -0.00254 -0.07464 0.00457 -0.00432 107 3PZ 0.07757 0.00942 -0.00278 -0.01875 -0.01656 108 4XX -0.00677 -0.00287 0.00250 0.00349 -0.00080 109 4YY -0.00042 0.00347 0.00131 -0.00357 0.00202 110 4ZZ -0.00092 -0.00325 0.00053 0.00145 -0.00052 111 4XY 0.00105 -0.00227 0.00120 -0.00247 -0.00293 112 4XZ -0.00006 -0.00039 -0.00100 0.00092 -0.00111 113 4YZ -0.00170 -0.00013 -0.00005 -0.00353 -0.00069 114 12 O 1S 0.00550 0.00015 0.01089 0.00022 0.00055 115 2S -0.00396 -0.00950 -0.02419 0.00565 -0.00340 116 2PX 0.05654 -0.01152 0.02109 0.02066 0.02932 117 2PY -0.00315 0.04542 0.05326 -0.03441 0.01720 118 2PZ -0.06290 0.00263 -0.00543 -0.01674 -0.02050 119 3S -0.10259 0.06385 -0.11476 -0.05073 0.02516 120 3PX 0.07136 -0.01110 0.00457 0.01767 0.04692 121 3PY 0.01934 0.00254 0.07464 -0.00457 0.00421 122 3PZ -0.07756 0.00942 -0.00279 -0.01875 -0.01652 123 4XX 0.00677 -0.00287 0.00250 0.00349 -0.00081 124 4YY 0.00042 0.00347 0.00131 -0.00357 0.00203 125 4ZZ 0.00092 -0.00325 0.00053 0.00145 -0.00053 126 4XY 0.00105 0.00227 -0.00119 0.00247 0.00293 127 4XZ 0.00006 -0.00039 -0.00100 0.00092 -0.00111 128 4YZ -0.00170 0.00013 0.00005 0.00353 0.00069 129 13 C 1S 0.00000 -0.05776 -0.00953 -0.04596 0.08043 130 2S 0.00000 0.06257 0.00438 0.04164 -0.07611 131 2PX 0.00000 -0.04348 0.00249 -0.06574 0.33863 132 2PY 0.09108 0.00000 0.00000 0.00000 -0.00004 133 2PZ 0.00000 -0.14645 -0.02309 -0.08523 -0.06103 134 3S -0.00002 1.00414 0.17469 0.89596 -1.48397 135 3PX 0.00000 -0.02451 -0.02194 -0.10781 0.93544 136 3PY 0.31514 0.00000 0.00000 0.00000 -0.00021 137 3PZ 0.00000 -0.33558 -0.19345 -0.27684 -0.35757 138 4XX 0.00000 -0.00841 -0.00122 -0.00310 0.01191 139 4YY 0.00000 0.00503 -0.01415 -0.00934 0.00501 140 4ZZ 0.00000 -0.00874 0.01022 0.00176 0.00333 141 4XY -0.01915 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 -0.00327 0.00708 0.00468 -0.00659 143 4YZ 0.00557 0.00000 0.00000 0.00000 0.00001 144 14 H 1S 0.00000 -0.02343 0.03170 -0.00146 0.00268 145 2S 0.00001 -0.84639 -0.15926 -0.61239 0.07924 146 15 H 1S 0.00000 -0.03035 -0.00808 -0.01369 0.06352 147 2S 0.00000 -0.36823 -0.03028 -0.39500 1.82462 148 16 C 1S -0.03892 -0.02405 0.03372 0.01423 0.00601 149 2S 0.06669 0.05474 -0.06431 -0.01432 -0.03417 150 2PX 0.16460 -0.06460 0.00492 0.00535 -0.02019 151 2PY 0.02942 -0.10367 0.08004 0.00975 0.02040 152 2PZ -0.12845 0.01038 0.04633 0.02579 -0.00619 153 3S 0.44990 0.31243 -0.38550 -0.19485 0.00957 154 3PX 0.21516 -0.09623 0.05218 0.06500 -0.26066 155 3PY 0.06377 -0.26481 0.24530 -0.01202 0.10057 156 3PZ -0.23671 0.09713 0.22482 0.18566 0.08230 157 4XX -0.01483 0.00270 -0.00246 -0.00151 -0.00276 158 4YY 0.00177 -0.01046 0.01386 0.00679 0.00009 159 4ZZ 0.00492 0.00576 -0.00449 -0.00010 0.00062 160 4XY -0.00165 0.00072 0.00118 0.00001 0.00844 161 4XZ -0.01084 0.00308 -0.00253 0.00064 -0.00367 162 4YZ 0.00231 -0.00828 0.00692 0.00342 -0.00746 163 17 H 1S -0.00003 -0.03412 0.05507 0.02906 -0.00098 164 2S -0.15633 -0.54461 0.63035 0.18098 0.10984 165 18 C 1S -0.00375 -0.02409 0.03365 0.02118 -0.00764 166 2S 0.01376 0.05407 -0.04573 -0.01911 -0.01247 167 2PX -0.24095 0.03823 -0.03838 -0.04396 0.05577 168 2PY 0.01516 -0.03179 0.10032 0.07418 -0.01000 169 2PZ 0.08016 0.05760 -0.11094 -0.07602 0.00526 170 3S 0.02471 0.25150 -0.66766 -0.49759 0.11509 171 3PX -0.38983 0.10174 -0.08162 -0.07912 0.06456 172 3PY 0.03762 -0.05422 0.22585 0.21555 -0.05975 173 3PZ 0.14433 0.12923 -0.20126 -0.17330 0.01320 174 4XX -0.00303 -0.00017 -0.00164 -0.00037 -0.00011 175 4YY -0.00299 0.00347 0.00162 0.00331 -0.00262 176 4ZZ 0.00690 -0.00611 0.00279 0.00137 -0.00671 177 4XY 0.01080 0.00566 -0.00432 -0.00241 0.00474 178 4XZ -0.00406 0.00114 0.00317 -0.00003 -0.00009 179 4YZ -0.00463 0.01248 -0.01354 -0.00536 0.00021 180 19 H 1S -0.00058 -0.04247 0.04775 0.01995 -0.01116 181 2S 0.04414 -0.44332 0.78462 0.59075 -0.13292 182 20 C 1S 0.03892 -0.02405 0.03372 0.01423 0.00595 183 2S -0.06669 0.05474 -0.06431 -0.01432 -0.03411 184 2PX -0.16460 -0.06460 0.00492 0.00535 -0.02036 185 2PY 0.02942 0.10367 -0.08004 -0.00975 -0.02024 186 2PZ 0.12844 0.01038 0.04633 0.02579 -0.00618 187 3S -0.44990 0.31243 -0.38551 -0.19486 0.01071 188 3PX -0.21516 -0.09624 0.05218 0.06500 -0.26103 189 3PY 0.06377 0.26482 -0.24530 0.01202 -0.10013 190 3PZ 0.23671 0.09714 0.22483 0.18566 0.08247 191 4XX 0.01483 0.00270 -0.00246 -0.00151 -0.00276 192 4YY -0.00177 -0.01046 0.01386 0.00679 0.00010 193 4ZZ -0.00492 0.00576 -0.00449 -0.00010 0.00061 194 4XY -0.00165 -0.00072 -0.00118 -0.00001 -0.00845 195 4XZ 0.01084 0.00308 -0.00253 0.00064 -0.00367 196 4YZ 0.00231 0.00828 -0.00692 -0.00342 0.00746 197 21 H 1S 0.00003 -0.03413 0.05507 0.02906 -0.00099 198 2S 0.15633 -0.54462 0.63036 0.18097 0.10882 199 22 C 1S 0.00374 -0.02409 0.03365 0.02118 -0.00761 200 2S -0.01376 0.05407 -0.04573 -0.01911 -0.01254 201 2PX 0.24095 0.03823 -0.03838 -0.04396 0.05593 202 2PY 0.01516 0.03179 -0.10032 -0.07418 0.00999 203 2PZ -0.08016 0.05760 -0.11094 -0.07602 0.00527 204 3S -0.02470 0.25149 -0.66766 -0.49759 0.11482 205 3PX 0.38983 0.10175 -0.08162 -0.07912 0.06491 206 3PY 0.03762 0.05422 -0.22584 -0.21555 0.05946 207 3PZ -0.14434 0.12923 -0.20126 -0.17331 0.01329 208 4XX 0.00303 -0.00017 -0.00164 -0.00037 -0.00011 209 4YY 0.00299 0.00347 0.00162 0.00331 -0.00261 210 4ZZ -0.00690 -0.00611 0.00279 0.00137 -0.00671 211 4XY 0.01080 -0.00566 0.00432 0.00241 -0.00474 212 4XZ 0.00406 0.00114 0.00317 -0.00003 -0.00008 213 4YZ -0.00463 -0.01248 0.01354 0.00536 -0.00021 214 23 H 1S 0.00058 -0.04247 0.04775 0.01995 -0.01112 215 2S -0.04414 -0.44332 0.78461 0.59075 -0.13279 56 57 58 59 60 V V V V V Eigenvalues -- 0.13580 0.15098 0.15136 0.15962 0.17377 1 1 C 1S -0.06537 0.00033 0.01709 -0.02080 0.00739 2 2S 0.12385 0.00849 -0.02176 0.06276 0.01403 3 2PX -0.12365 0.00315 0.11548 -0.12586 0.14411 4 2PY 0.05377 0.01604 -0.01407 0.01860 0.05375 5 2PZ -0.03134 -0.02172 -0.06861 0.10402 -0.06938 6 3S 0.55728 -0.05199 -0.28724 -0.15947 -0.43328 7 3PX -0.45413 -0.05071 0.17887 -0.33864 0.17340 8 3PY 0.29600 -0.03847 -0.01470 0.27625 0.36208 9 3PZ -0.54679 -0.12108 -0.12202 0.07301 -0.23606 10 4XX -0.00362 0.00311 -0.00399 0.00510 -0.00643 11 4YY -0.01108 -0.00121 0.00250 -0.00565 0.00765 12 4ZZ -0.00165 0.00076 0.00582 -0.00704 0.00000 13 4XY -0.00238 -0.00265 0.00447 -0.00293 0.00687 14 4XZ -0.00294 -0.00127 -0.00081 -0.00001 -0.00917 15 4YZ -0.00430 0.00559 -0.00027 0.00137 -0.00013 16 2 C 1S 0.06537 0.00033 -0.01709 0.02080 -0.00739 17 2S -0.12384 0.00849 0.02176 -0.06276 -0.01403 18 2PX 0.12367 0.00319 -0.11547 0.12586 -0.14414 19 2PY 0.05382 -0.01604 -0.01408 0.01860 0.05375 20 2PZ 0.03149 -0.02175 0.06861 -0.10402 0.06935 21 3S -0.55754 -0.05208 0.28721 0.15949 0.43323 22 3PX 0.45431 -0.05065 -0.17889 0.33864 -0.17349 23 3PY 0.29612 0.03847 -0.01468 0.27624 0.36211 24 3PZ 0.54713 -0.12114 0.12197 -0.07300 0.23595 25 4XX 0.00362 0.00310 0.00399 -0.00510 0.00643 26 4YY 0.01109 -0.00121 -0.00250 0.00565 -0.00765 27 4ZZ 0.00166 0.00077 -0.00582 0.00704 0.00000 28 4XY -0.00237 0.00265 0.00447 -0.00293 0.00687 29 4XZ 0.00294 -0.00127 0.00081 0.00001 0.00917 30 4YZ -0.00429 -0.00559 -0.00028 0.00137 -0.00014 31 3 C 1S -0.01745 -0.00525 0.00255 -0.01032 -0.01792 32 2S 0.05832 0.00355 -0.01325 0.03491 0.06626 33 2PX -0.09218 -0.01936 0.11703 -0.12727 0.13059 34 2PY 0.03009 0.00193 0.01361 -0.00991 0.09508 35 2PZ 0.06197 -0.00159 -0.09281 0.14243 -0.03532 36 3S -0.08474 0.10856 0.01682 -0.05913 -0.05236 37 3PX -0.02978 -0.06149 0.17654 -0.17270 0.16536 38 3PY -0.45501 0.11361 -0.20639 -0.40205 -0.21659 39 3PZ 0.00002 -0.01426 -0.10054 0.11179 -0.12160 40 4XX -0.00315 0.00075 0.00102 -0.00065 -0.00476 41 4YY 0.00489 -0.00397 0.00453 -0.00099 0.01113 42 4ZZ -0.00207 0.00044 -0.00461 0.00055 -0.00775 43 4XY -0.00205 0.00281 -0.00139 0.00195 -0.00191 44 4XZ -0.00879 0.00155 -0.00181 -0.00505 -0.01246 45 4YZ -0.00089 -0.00126 0.00017 -0.00203 0.00136 46 4 C 1S 0.02534 -0.00081 0.00767 0.03061 0.06908 47 2S -0.06926 -0.00841 -0.03358 -0.08222 -0.14422 48 2PX 0.03288 0.01930 -0.05922 0.07895 -0.15361 49 2PY 0.03237 -0.00095 0.01354 0.02024 0.09906 50 2PZ -0.04000 -0.01557 0.01780 -0.13019 -0.04018 51 3S 0.08311 0.03146 0.05198 -0.10604 -0.57805 52 3PX -0.18888 0.03286 -0.26712 -0.16622 -0.72797 53 3PY 0.27623 -0.03383 0.14283 0.18503 0.55866 54 3PZ -0.34460 0.04347 -0.03109 -0.50651 -0.55342 55 4XX 0.00449 -0.00179 -0.00715 0.00415 -0.00286 56 4YY 0.00463 -0.00158 -0.00113 0.00717 0.00702 57 4ZZ -0.00281 -0.00101 0.00444 -0.00880 0.00849 58 4XY -0.00019 0.00231 0.00077 -0.00076 0.00650 59 4XZ 0.00598 -0.00227 -0.00218 0.00263 0.00538 60 4YZ 0.00082 -0.00134 -0.00057 0.00567 0.00310 61 5 C 1S -0.02535 -0.00080 -0.00767 -0.03061 -0.06908 62 2S 0.06927 -0.00843 0.03358 0.08222 0.14422 63 2PX -0.03287 0.01928 0.05923 -0.07895 0.15360 64 2PY 0.03240 0.00094 0.01354 0.02024 0.09905 65 2PZ 0.04004 -0.01556 -0.01780 0.13019 0.04018 66 3S -0.08282 0.03148 -0.05197 0.10604 0.57795 67 3PX 0.18886 0.03275 0.26714 0.16622 0.72798 68 3PY 0.27634 0.03377 0.14285 0.18503 0.55863 69 3PZ 0.34463 0.04345 0.03111 0.50651 0.55345 70 4XX -0.00449 -0.00179 0.00715 -0.00415 0.00286 71 4YY -0.00463 -0.00158 0.00113 -0.00717 -0.00702 72 4ZZ 0.00282 -0.00101 -0.00444 0.00880 -0.00849 73 4XY -0.00019 -0.00231 0.00077 -0.00076 0.00650 74 4XZ -0.00598 -0.00227 0.00218 -0.00263 -0.00538 75 4YZ 0.00082 0.00134 -0.00057 0.00567 0.00309 76 6 C 1S 0.01748 -0.00525 -0.00255 0.01032 0.01790 77 2S -0.05838 0.00354 0.01325 -0.03491 -0.06624 78 2PX 0.09230 -0.01932 -0.11704 0.12726 -0.13060 79 2PY 0.03012 -0.00194 0.01361 -0.00990 0.09506 80 2PZ -0.06198 -0.00162 0.09281 -0.14243 0.03531 81 3S 0.08440 0.10856 -0.01678 0.05912 0.05262 82 3PX 0.02990 -0.06142 -0.17657 0.17270 -0.16538 83 3PY -0.45486 -0.11352 -0.20644 -0.40204 -0.21663 84 3PZ -0.00010 -0.01430 0.10054 -0.11178 0.12158 85 4XX 0.00315 0.00075 -0.00102 0.00065 0.00476 86 4YY -0.00488 -0.00396 -0.00454 0.00099 -0.01113 87 4ZZ 0.00206 0.00044 0.00461 -0.00055 0.00775 88 4XY -0.00205 -0.00280 -0.00139 0.00195 -0.00191 89 4XZ 0.00879 0.00155 0.00181 0.00505 0.01246 90 4YZ -0.00089 0.00126 0.00017 -0.00203 0.00136 91 7 H 1S -0.02627 -0.01744 0.01823 -0.03014 -0.01981 92 2S -1.02637 -0.15866 0.10651 -0.14704 -0.18205 93 8 H 1S 0.02633 -0.01743 -0.01823 0.03014 0.01979 94 2S 1.02704 -0.15865 -0.10656 0.14704 0.18191 95 9 H 1S 0.02769 -0.01203 -0.00789 0.01186 0.05844 96 2S 0.46354 -0.05891 0.23596 0.58359 1.47002 97 10 H 1S -0.02771 -0.01204 0.00789 -0.01186 -0.05844 98 2S -0.46378 -0.05880 -0.23599 -0.58359 -1.46998 99 11 O 1S 0.01529 -0.00338 0.00789 0.01168 0.00156 100 2S -0.01621 0.01079 -0.00120 -0.00268 0.01657 101 2PX 0.06354 -0.01624 -0.03169 0.03817 -0.08688 102 2PY 0.00586 -0.01063 -0.00255 -0.00654 0.01406 103 2PZ -0.01213 -0.01185 0.02431 -0.07820 0.00310 104 3S -0.30427 0.05158 -0.18706 -0.26322 -0.13716 105 3PX 0.06361 0.00623 -0.05627 0.08781 -0.07334 106 3PY -0.08537 0.01608 -0.07599 -0.06456 -0.02659 107 3PZ -0.02834 0.00037 0.03909 -0.09043 0.02882 108 4XX 0.00937 -0.00099 0.00650 0.00841 0.00400 109 4YY -0.00337 0.00503 -0.00023 0.00238 0.00419 110 4ZZ 0.00770 0.00181 0.00520 0.01091 0.00651 111 4XY 0.00000 -0.00159 0.00463 -0.00291 0.00417 112 4XZ 0.00062 -0.00093 0.00024 -0.00081 0.00070 113 4YZ 0.00142 0.00064 -0.00395 0.00346 -0.00200 114 12 O 1S -0.01529 -0.00337 -0.00789 -0.01168 -0.00155 115 2S 0.01622 0.01079 0.00120 0.00267 -0.01658 116 2PX -0.06358 -0.01625 0.03168 -0.03817 0.08688 117 2PY 0.00584 0.01063 -0.00254 -0.00654 0.01408 118 2PZ 0.01216 -0.01184 -0.02431 0.07820 -0.00310 119 3S 0.30424 0.05150 0.18708 0.26322 0.13711 120 3PX -0.06367 0.00621 0.05627 -0.08781 0.07335 121 3PY -0.08538 -0.01605 -0.07600 -0.06457 -0.02656 122 3PZ 0.02836 0.00039 -0.03909 0.09043 -0.02882 123 4XX -0.00937 -0.00098 -0.00650 -0.00841 -0.00400 124 4YY 0.00337 0.00503 0.00023 -0.00238 -0.00419 125 4ZZ -0.00770 0.00181 -0.00520 -0.01091 -0.00651 126 4XY 0.00000 0.00159 0.00463 -0.00291 0.00417 127 4XZ -0.00062 -0.00093 -0.00024 0.00081 -0.00070 128 4YZ 0.00141 -0.00063 -0.00395 0.00346 -0.00200 129 13 C 1S -0.00005 0.08653 0.00002 0.00000 0.00000 130 2S 0.00005 -0.13002 -0.00002 0.00000 0.00000 131 2PX -0.00022 -0.10044 -0.00002 0.00001 -0.00001 132 2PY -0.06102 -0.00001 0.03986 0.02098 0.02272 133 2PZ 0.00004 0.03032 0.00001 -0.00001 0.00005 134 3S 0.00092 -1.04521 -0.00018 -0.00001 0.00009 135 3PX -0.00059 -0.18764 -0.00005 0.00002 -0.00001 136 3PY -0.33066 0.00001 -0.02377 0.26051 -0.03154 137 3PZ 0.00023 0.23085 0.00005 -0.00003 0.00019 138 4XX -0.00001 -0.00367 0.00000 0.00000 0.00000 139 4YY 0.00000 0.01881 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00606 0.00000 0.00000 0.00000 141 4XY -0.00521 0.00000 -0.00230 -0.01055 0.00601 142 4XZ 0.00000 0.00173 0.00000 0.00000 0.00000 143 4YZ 0.01205 0.00000 -0.01292 -0.00986 0.00300 144 14 H 1S 0.00000 0.03825 0.00001 0.00000 0.00001 145 2S -0.00004 0.77187 0.00015 -0.00003 0.00021 146 15 H 1S -0.00004 -0.01986 0.00000 0.00000 0.00000 147 2S -0.00115 0.07573 -0.00001 0.00003 -0.00009 148 16 C 1S 0.04185 -0.08063 0.01364 -0.06185 0.00674 149 2S -0.04342 0.11995 -0.00620 0.11325 -0.01600 150 2PX 0.13888 -0.04126 -0.03226 0.01552 -0.06163 151 2PY 0.12318 -0.09015 0.16842 -0.06650 -0.08611 152 2PZ -0.01391 -0.05146 0.09048 -0.05425 0.02426 153 3S -0.87989 1.16910 -0.59583 0.73746 0.00511 154 3PX 0.29372 -0.10093 -0.01386 0.06210 -0.16952 155 3PY 0.32908 -0.42005 0.31993 -0.45375 -0.25985 156 3PZ -0.13967 -0.19194 0.18309 -0.12767 -0.05467 157 4XX -0.00469 -0.00043 0.00586 -0.00841 0.00508 158 4YY -0.00126 -0.01019 0.00020 0.00477 -0.00289 159 4ZZ 0.01044 -0.00694 -0.00563 -0.01000 0.00102 160 4XY -0.00674 0.00373 0.00158 -0.00602 0.00458 161 4XZ 0.00110 -0.00234 -0.00764 -0.00096 -0.00229 162 4YZ 0.00412 0.01266 -0.00008 -0.00462 -0.00223 163 17 H 1S 0.00358 -0.05236 0.00578 -0.02412 -0.01475 164 2S 0.77921 -1.10687 0.72711 -0.86172 -0.33634 165 18 C 1S -0.02475 0.04075 0.06000 0.06097 -0.01607 166 2S 0.04763 -0.06450 -0.10598 -0.11808 0.01839 167 2PX -0.13078 -0.02468 -0.01408 -0.08478 0.06313 168 2PY -0.00600 0.09203 0.09403 0.03498 -0.03490 169 2PZ -0.00448 -0.07791 -0.14738 -0.02615 0.02742 170 3S 0.21848 -0.70743 -0.86476 -0.59961 0.39025 171 3PX -0.28158 -0.06430 -0.21101 -0.26259 0.13627 172 3PY -0.22318 0.42553 0.27786 0.29271 -0.02945 173 3PZ -0.06828 -0.19708 -0.67885 -0.38394 0.03479 174 4XX -0.00302 0.00318 0.00187 -0.00194 0.00139 175 4YY -0.00715 -0.00434 -0.00062 0.01078 0.00246 176 4ZZ 0.00424 0.00598 0.00640 0.00363 -0.00348 177 4XY 0.00345 0.00015 0.00102 0.00293 -0.00134 178 4XZ -0.00503 0.00518 0.00381 -0.00052 0.00189 179 4YZ -0.00121 0.00199 0.00357 0.00328 0.00083 180 19 H 1S -0.02865 0.03202 0.03909 0.03343 -0.01364 181 2S -0.11264 0.84291 1.27562 0.89476 -0.31141 182 20 C 1S -0.04186 -0.08062 -0.01367 0.06185 -0.00674 183 2S 0.04347 0.11994 0.00625 -0.11325 0.01600 184 2PX -0.13886 -0.04126 0.03225 -0.01552 0.06165 185 2PY 0.12321 0.09008 0.16846 -0.06651 -0.08610 186 2PZ 0.01392 -0.05143 -0.09050 0.05425 -0.02424 187 3S 0.87990 1.16883 0.59628 -0.73746 -0.00522 188 3PX -0.29339 -0.10092 0.01384 -0.06212 0.16963 189 3PY 0.32922 0.41991 0.32009 -0.45376 -0.25975 190 3PZ 0.13956 -0.19187 -0.18317 0.12768 0.05474 191 4XX 0.00469 -0.00043 -0.00586 0.00841 -0.00508 192 4YY 0.00126 -0.01019 -0.00020 -0.00477 0.00289 193 4ZZ -0.01044 -0.00694 0.00563 0.01000 -0.00103 194 4XY -0.00673 -0.00373 0.00158 -0.00602 0.00459 195 4XZ -0.00109 -0.00234 0.00764 0.00096 0.00229 196 4YZ 0.00411 -0.01266 -0.00009 -0.00462 -0.00223 197 21 H 1S -0.00358 -0.05236 -0.00580 0.02412 0.01476 198 2S -0.77937 -1.10656 -0.72753 0.86174 0.33635 199 22 C 1S 0.02476 0.04077 -0.05999 -0.06097 0.01608 200 2S -0.04762 -0.06454 0.10596 0.11808 -0.01840 201 2PX 0.13071 -0.02469 0.01407 0.08478 -0.06312 202 2PY -0.00602 -0.09207 0.09399 0.03498 -0.03490 203 2PZ 0.00446 -0.07797 0.14735 0.02614 -0.02739 204 3S -0.21865 -0.70774 0.86449 0.59960 -0.39026 205 3PX 0.28150 -0.06439 0.21098 0.26259 -0.13625 206 3PY -0.22328 -0.42563 0.27770 0.29272 -0.02945 207 3PZ 0.06824 -0.19734 0.67878 0.38394 -0.03472 208 4XX 0.00302 0.00318 -0.00187 0.00194 -0.00139 209 4YY 0.00716 -0.00434 0.00062 -0.01078 -0.00246 210 4ZZ -0.00423 0.00598 -0.00640 -0.00363 0.00348 211 4XY 0.00345 -0.00015 0.00102 0.00293 -0.00134 212 4XZ 0.00503 0.00518 -0.00381 0.00052 -0.00189 213 4YZ -0.00121 -0.00200 0.00357 0.00328 0.00083 214 23 H 1S 0.02866 0.03203 -0.03908 -0.03343 0.01363 215 2S 0.11285 0.84338 -1.27530 -0.89475 0.31132 61 62 63 64 65 V V V V V Eigenvalues -- 0.17488 0.19698 0.19869 0.20672 0.21914 1 1 C 1S 0.00918 0.00883 0.04938 0.05263 -0.00978 2 2S -0.00275 -0.03118 -0.08305 -0.07289 0.00489 3 2PX -0.08515 -0.05150 -0.07420 -0.04592 0.06118 4 2PY -0.00524 0.01095 -0.08092 -0.05391 0.01669 5 2PZ -0.10690 0.05848 0.01756 0.22232 0.09947 6 3S -0.16824 0.01505 -0.80429 -0.84818 0.11593 7 3PX -0.30162 -0.12480 -0.20461 0.12511 0.20088 8 3PY -0.11381 -0.18980 -0.33375 -0.33048 -0.00492 9 3PZ -0.37658 0.17227 -0.05581 0.77173 0.29326 10 4XX 0.00692 0.00251 0.00869 0.00665 -0.00511 11 4YY -0.00179 0.00627 -0.01090 0.00813 0.00360 12 4ZZ -0.00207 -0.00757 0.00821 -0.00213 -0.00163 13 4XY 0.01066 -0.00231 0.00898 -0.00095 -0.00207 14 4XZ 0.00370 -0.00065 0.01061 0.00436 -0.00596 15 4YZ 0.02257 0.00264 0.00417 0.00847 -0.01121 16 2 C 1S 0.00918 -0.00883 0.04938 -0.05263 -0.00978 17 2S -0.00275 0.03117 -0.08306 0.07289 0.00489 18 2PX -0.08511 0.05149 -0.07421 0.04592 0.06118 19 2PY 0.00522 0.01097 0.08092 -0.05391 -0.01669 20 2PZ -0.10693 -0.05848 0.01758 -0.22232 0.09946 21 3S -0.16837 -0.01516 -0.80432 0.84814 0.11597 22 3PX -0.30156 0.12477 -0.20463 -0.12511 0.20087 23 3PY 0.11371 -0.18975 0.33379 -0.33047 0.00491 24 3PZ -0.37665 -0.17229 -0.05575 -0.77174 0.29324 25 4XX 0.00692 -0.00251 0.00869 -0.00665 -0.00511 26 4YY -0.00179 -0.00627 -0.01090 -0.00813 0.00360 27 4ZZ -0.00207 0.00757 0.00821 0.00213 -0.00163 28 4XY -0.01066 -0.00231 -0.00898 -0.00095 0.00206 29 4XZ 0.00370 0.00065 0.01061 -0.00436 -0.00596 30 4YZ -0.02257 0.00264 -0.00417 0.00847 0.01121 31 3 C 1S -0.05320 0.00201 -0.08213 0.00612 0.05825 32 2S 0.06973 0.01931 0.11825 -0.02140 -0.09933 33 2PX -0.02667 -0.06045 0.03834 -0.00372 -0.01229 34 2PY 0.06552 -0.00457 0.14429 -0.05470 -0.08913 35 2PZ -0.04210 0.09506 0.04169 0.10296 -0.06146 36 3S 0.94117 -0.20655 1.39927 -0.02890 -0.90679 37 3PX -0.07251 -0.07079 0.08463 -0.07746 -0.05312 38 3PY 0.13529 0.13366 0.34130 -0.13656 -0.40885 39 3PZ -0.06049 0.15507 0.11278 0.15538 -0.19619 40 4XX 0.00445 -0.00291 -0.00325 -0.00093 0.00385 41 4YY -0.01241 0.00115 -0.00330 -0.00686 0.00909 42 4ZZ 0.00003 0.00157 -0.00752 0.00978 -0.00091 43 4XY 0.00527 -0.00179 -0.00098 0.00128 -0.00289 44 4XZ -0.00481 0.00203 -0.01416 0.00433 0.00506 45 4YZ -0.00065 -0.00023 -0.00260 -0.00343 0.00078 46 4 C 1S 0.01862 0.01414 0.04065 0.02839 -0.03020 47 2S -0.02030 -0.01926 -0.07482 -0.04585 0.02123 48 2PX -0.00218 0.01914 0.10561 -0.03091 -0.03036 49 2PY 0.04406 0.00940 0.04908 -0.02656 -0.04197 50 2PZ 0.03224 -0.06886 0.11097 -0.08148 -0.06301 51 3S -0.36641 -0.28668 -0.67170 -0.49522 0.64600 52 3PX 0.07523 0.00237 0.31275 -0.21420 -0.24231 53 3PY 0.16555 0.00634 0.32887 -0.03576 -0.27192 54 3PZ 0.09838 -0.18686 0.39062 -0.37340 -0.25876 55 4XX -0.00097 0.00489 0.00431 -0.00172 -0.00570 56 4YY -0.00297 0.00381 -0.01259 0.01424 0.00372 57 4ZZ 0.00548 -0.00455 0.01065 -0.00732 -0.00758 58 4XY 0.00512 0.00086 0.01735 0.00407 -0.01274 59 4XZ 0.00085 0.00107 0.01038 -0.00332 -0.00821 60 4YZ 0.00709 0.00357 0.01786 0.00447 -0.01255 61 5 C 1S 0.01864 -0.01414 0.04066 -0.02839 -0.03020 62 2S -0.02034 0.01925 -0.07482 0.04585 0.02123 63 2PX -0.00222 -0.01913 0.10562 0.03092 -0.03036 64 2PY -0.04409 0.00940 -0.04907 -0.02656 0.04197 65 2PZ 0.03223 0.06887 0.11095 0.08148 -0.06300 66 3S -0.36657 0.28659 -0.67176 0.49517 0.64602 67 3PX 0.07503 -0.00233 0.31275 0.21422 -0.24230 68 3PY -0.16570 0.00629 -0.32886 -0.03578 0.27191 69 3PZ 0.09824 0.18691 0.39059 0.37342 -0.25875 70 4XX -0.00097 -0.00489 0.00431 0.00172 -0.00570 71 4YY -0.00297 -0.00381 -0.01258 -0.01424 0.00372 72 4ZZ 0.00548 0.00455 0.01064 0.00732 -0.00758 73 4XY -0.00512 0.00086 -0.01735 0.00407 0.01274 74 4XZ 0.00085 -0.00107 0.01038 0.00332 -0.00821 75 4YZ -0.00709 0.00357 -0.01786 0.00447 0.01255 76 6 C 1S -0.05321 -0.00202 -0.08213 -0.00613 0.05825 77 2S 0.06974 -0.01929 0.11825 0.02140 -0.09933 78 2PX -0.02662 0.06046 0.03833 0.00373 -0.01229 79 2PY -0.06555 -0.00459 -0.14429 -0.05471 0.08913 80 2PZ -0.04211 -0.09506 0.04170 -0.10295 -0.06146 81 3S 0.94115 0.20674 1.39925 0.02898 -0.90678 82 3PX -0.07246 0.07080 0.08462 0.07747 -0.05313 83 3PY -0.13524 0.13361 -0.34131 -0.13659 0.40884 84 3PZ -0.06052 -0.15506 0.11281 -0.15537 -0.19620 85 4XX 0.00445 0.00291 -0.00325 0.00093 0.00385 86 4YY -0.01241 -0.00115 -0.00330 0.00686 0.00909 87 4ZZ 0.00002 -0.00157 -0.00752 -0.00979 -0.00091 88 4XY -0.00527 -0.00179 0.00098 0.00128 0.00289 89 4XZ -0.00481 -0.00203 -0.01416 -0.00433 0.00506 90 4YZ 0.00065 -0.00023 0.00260 -0.00343 -0.00078 91 7 H 1S -0.07503 -0.00937 0.03337 0.03974 0.02178 92 2S -0.48679 0.19254 0.49389 1.31420 0.35459 93 8 H 1S -0.07504 0.00938 0.03337 -0.03974 0.02178 94 2S -0.48683 -0.19249 0.49397 -1.31419 0.35455 95 9 H 1S -0.00840 0.00936 -0.03368 -0.00217 0.01654 96 2S 0.13197 0.27006 -0.10298 0.52918 -0.03845 97 10 H 1S -0.00838 -0.00936 -0.03368 0.00217 0.01654 98 2S 0.13238 -0.27007 -0.10292 -0.52919 -0.03847 99 11 O 1S 0.01219 -0.00751 0.00844 0.00839 0.00022 100 2S -0.02481 0.00275 -0.01271 -0.02186 0.00521 101 2PX 0.02670 0.00412 -0.00369 0.01112 0.00536 102 2PY -0.05752 0.01765 -0.04850 -0.01741 0.03934 103 2PZ -0.00329 -0.03214 -0.00167 -0.08465 0.01797 104 3S -0.15460 0.17226 -0.11724 -0.09609 -0.06582 105 3PX 0.02831 0.02079 -0.02389 0.03034 0.01475 106 3PY -0.10883 0.07423 -0.10133 -0.04551 0.02055 107 3PZ 0.01431 -0.04726 -0.02517 -0.07737 0.03786 108 4XX 0.00470 -0.00601 0.00258 0.00170 0.00339 109 4YY 0.00046 -0.00151 0.00094 -0.00317 -0.00436 110 4ZZ -0.00003 -0.00451 0.00305 0.00013 0.00280 111 4XY 0.00021 -0.00246 0.00181 0.00031 0.00073 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 -0.00839 0.00022 115 2S -0.02480 -0.00276 -0.01271 0.02186 0.00521 116 2PX 0.02667 -0.00412 -0.00369 -0.01113 0.00536 117 2PY 0.05752 0.01766 0.04850 -0.01741 -0.03934 118 2PZ -0.00329 0.03214 -0.00168 0.08465 0.01797 119 3S -0.15463 -0.17228 -0.11722 0.09610 -0.06582 120 3PX 0.02829 -0.02079 -0.02388 -0.03034 0.01475 121 3PY 0.10883 0.07424 0.10132 -0.04551 -0.02055 122 3PZ 0.01432 0.04725 -0.02518 0.07736 0.03786 123 4XX 0.00470 0.00601 0.00258 -0.00170 0.00339 124 4YY 0.00046 0.00151 0.00094 0.00317 -0.00436 125 4ZZ -0.00003 0.00451 0.00305 -0.00013 0.00280 126 4XY -0.00021 -0.00246 -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 0.00057 129 13 C 1S -0.02507 0.00000 -0.06706 0.00000 -0.06409 130 2S -0.00372 0.00000 0.03924 0.00000 0.05815 131 2PX -0.05442 0.00000 0.05309 0.00000 0.19208 132 2PY -0.00001 0.27237 -0.00001 -0.17775 0.00000 133 2PZ 0.32880 -0.00001 -0.14687 0.00000 0.02320 134 3S 0.65663 0.00009 1.60045 0.00002 1.41675 135 3PX -0.04109 0.00002 0.61921 0.00000 0.97615 136 3PY 0.00000 1.22568 -0.00006 -0.47844 0.00000 137 3PZ 1.30473 0.00000 -0.15763 -0.00001 0.35801 138 4XX 0.00265 0.00000 0.00384 0.00000 -0.00119 139 4YY -0.01785 0.00000 -0.00538 0.00000 -0.02307 140 4ZZ 0.01100 0.00000 -0.00894 0.00000 0.01585 141 4XY 0.00000 -0.01742 0.00000 0.00254 0.00000 142 4XZ -0.00563 0.00000 -0.01063 0.00000 -0.00551 143 4YZ 0.00000 -0.02517 0.00000 0.01060 0.00000 144 14 H 1S 0.08485 0.00000 -0.04764 0.00000 0.09105 145 2S 1.39656 -0.00005 -1.01221 -0.00003 -0.09132 146 15 H 1S 0.00918 0.00000 0.05722 0.00000 0.04388 147 2S -0.65841 0.00000 0.20081 -0.00001 0.51063 148 16 C 1S 0.01466 -0.04841 0.00870 0.03571 -0.00939 149 2S -0.00241 0.05917 -0.00115 -0.06465 0.02196 150 2PX 0.07677 -0.10699 -0.00359 0.11666 0.04796 151 2PY -0.02355 0.21263 -0.09544 0.04573 -0.10920 152 2PZ 0.07434 -0.08164 0.04576 -0.02235 0.19151 153 3S -0.39502 1.02090 -0.26329 -0.51216 0.18841 154 3PX 0.39867 -0.29821 0.10291 0.29557 0.30568 155 3PY -0.31762 0.81483 -0.59662 0.30701 -0.60615 156 3PZ 0.24461 -0.11209 0.28597 0.28647 0.95198 157 4XX 0.00182 -0.00733 -0.00259 -0.00126 -0.00245 158 4YY 0.01112 0.00889 -0.00170 -0.00062 0.01190 159 4ZZ -0.01199 -0.01040 0.00377 0.00707 -0.01222 160 4XY -0.01389 0.00731 0.00378 -0.00658 -0.00521 161 4XZ -0.00684 -0.00204 -0.00073 0.00691 -0.01058 162 4YZ -0.00354 0.01932 -0.00641 -0.00546 -0.01630 163 17 H 1S 0.03256 0.09217 0.00220 0.01004 0.01879 164 2S 0.06003 0.53557 -0.37880 0.63101 -0.34736 165 18 C 1S 0.00847 -0.04454 0.01131 -0.00424 0.04189 166 2S -0.01080 0.08845 -0.00809 0.03237 -0.07345 167 2PX 0.03721 0.07136 -0.02361 -0.05887 0.03973 168 2PY 0.00935 0.14012 0.08079 -0.04484 0.07885 169 2PZ 0.10472 0.04173 -0.04694 0.02596 0.09333 170 3S -0.03372 0.58263 -0.34468 -0.46337 -0.96729 171 3PX 0.05120 0.29797 -0.06152 -0.02807 0.10343 172 3PY 0.00465 0.50026 0.24880 -0.47637 0.45056 173 3PZ 0.22493 0.49747 -0.17806 0.25098 0.38931 174 4XX 0.00220 0.00471 0.00040 -0.00075 0.00250 175 4YY 0.00122 -0.02699 0.00672 -0.00040 -0.00267 176 4ZZ 0.00348 0.01355 -0.00646 -0.00517 0.00116 177 4XY -0.00540 -0.00340 0.00069 0.00058 0.00827 178 4XZ 0.00476 0.00910 -0.00194 -0.00889 0.00274 179 4YZ 0.01011 -0.01043 0.00617 -0.00206 0.02333 180 19 H 1S -0.02737 0.04072 -0.02449 -0.03372 -0.06706 181 2S -0.29733 -0.30265 0.43818 -0.33639 0.16190 182 20 C 1S 0.01466 0.04841 0.00869 -0.03571 -0.00939 183 2S -0.00241 -0.05917 -0.00114 0.06465 0.02196 184 2PX 0.07675 0.10699 -0.00360 -0.11666 0.04796 185 2PY 0.02357 0.21264 0.09541 0.04574 0.10920 186 2PZ 0.07434 0.08164 0.04574 0.02234 0.19151 187 3S -0.39501 -1.02093 -0.26319 0.51214 0.18841 188 3PX 0.39861 0.29822 0.10289 -0.29557 0.30568 189 3PY 0.31767 0.81489 0.59652 0.30703 0.60618 190 3PZ 0.24460 0.11212 0.28597 -0.28649 0.95196 191 4XX 0.00182 0.00732 -0.00259 0.00126 -0.00245 192 4YY 0.01112 -0.00889 -0.00169 0.00062 0.01190 193 4ZZ -0.01199 0.01040 0.00377 -0.00707 -0.01222 194 4XY 0.01389 0.00731 -0.00378 -0.00658 0.00521 195 4XZ -0.00684 0.00204 -0.00073 -0.00691 -0.01058 196 4YZ 0.00354 0.01933 0.00641 -0.00546 0.01630 197 21 H 1S 0.03256 -0.09217 0.00221 -0.01004 0.01878 198 2S 0.05997 -0.53561 -0.37871 -0.63103 -0.34739 199 22 C 1S 0.00847 0.04454 0.01130 0.00424 0.04189 200 2S -0.01079 -0.08845 -0.00808 -0.03237 -0.07345 201 2PX 0.03723 -0.07136 -0.02360 0.05886 0.03973 202 2PY -0.00934 0.14011 -0.08081 -0.04484 -0.07885 203 2PZ 0.10472 -0.04173 -0.04694 -0.02597 0.09333 204 3S -0.03360 -0.58267 -0.34463 0.46338 -0.96728 205 3PX 0.05125 -0.29798 -0.06149 0.02806 0.10343 206 3PY -0.00464 0.50023 -0.24884 -0.47638 -0.45057 207 3PZ 0.22496 -0.49749 -0.17799 -0.25100 0.38929 208 4XX 0.00220 -0.00471 0.00040 0.00075 0.00250 209 4YY 0.00122 0.02699 0.00672 0.00040 -0.00267 210 4ZZ 0.00348 -0.01355 -0.00646 0.00517 0.00116 211 4XY 0.00540 -0.00340 -0.00069 0.00058 -0.00827 212 4XZ 0.00476 -0.00910 -0.00194 0.00889 0.00274 213 4YZ -0.01011 -0.01044 -0.00617 -0.00206 -0.02333 214 23 H 1S -0.02738 -0.04073 -0.02448 0.03372 -0.06706 215 2S -0.29744 0.30270 0.43814 0.33641 0.16192 66 67 68 69 70 V V V V V Eigenvalues -- 0.25273 0.26948 0.29517 0.31833 0.33572 1 1 C 1S 0.04402 -0.00968 0.00556 -0.05762 0.00991 2 2S -0.09394 0.01512 0.00429 0.04576 0.01898 3 2PX -0.05074 0.00615 0.05774 0.09830 0.08087 4 2PY 0.19629 0.06453 0.08095 0.08903 0.12896 5 2PZ 0.05462 -0.01861 -0.03599 0.03776 -0.01787 6 3S -0.42426 0.26999 -0.33098 1.52669 -0.68431 7 3PX 0.43224 -0.03341 -0.43011 0.35729 -0.04629 8 3PY 0.73244 0.30969 0.06585 0.75774 0.93092 9 3PZ 0.54574 -0.14229 -0.35818 0.30857 -0.04727 10 4XX -0.00574 -0.00704 0.00851 -0.00636 -0.00190 11 4YY 0.03274 -0.00656 -0.00825 0.00082 0.01586 12 4ZZ -0.01839 0.01241 0.00530 -0.00308 -0.00628 13 4XY 0.00014 -0.00804 -0.01000 -0.03312 0.00576 14 4XZ -0.00948 0.00106 0.02142 -0.00579 0.00030 15 4YZ 0.00319 -0.01390 -0.00443 -0.03000 -0.00050 16 2 C 1S -0.04402 -0.00967 0.00556 -0.05762 -0.00991 17 2S 0.09394 0.01512 0.00428 0.04576 -0.01898 18 2PX 0.05074 0.00615 0.05774 0.09831 -0.08087 19 2PY 0.19629 -0.06453 -0.08095 -0.08904 0.12895 20 2PZ -0.05462 -0.01860 -0.03598 0.03776 0.01787 21 3S 0.42425 0.27000 -0.33101 1.52664 0.68439 22 3PX -0.43225 -0.03339 -0.43011 0.35730 0.04631 23 3PY 0.73244 -0.30969 -0.06586 -0.75779 0.93089 24 3PZ -0.54574 -0.14227 -0.35818 0.30857 0.04729 25 4XX 0.00574 -0.00704 0.00851 -0.00636 0.00189 26 4YY -0.03274 -0.00656 -0.00825 0.00082 -0.01586 27 4ZZ 0.01839 0.01241 0.00530 -0.00308 0.00628 28 4XY 0.00014 0.00804 0.01000 0.03312 0.00576 29 4XZ 0.00948 0.00106 0.02142 -0.00579 -0.00030 30 4YZ 0.00319 0.01390 0.00443 0.03000 -0.00050 31 3 C 1S -0.00821 -0.00967 0.02979 0.02474 -0.03582 32 2S 0.01794 0.05931 -0.00262 -0.05519 -0.01059 33 2PX -0.04407 0.08556 -0.08277 0.31835 0.05726 34 2PY 0.13845 0.07932 0.11028 -0.00889 0.00555 35 2PZ 0.08076 0.17329 -0.09217 0.26125 0.02028 36 3S 0.49494 -0.04076 -0.84306 -0.39755 1.05646 37 3PX -0.24258 0.23548 -0.46661 0.94437 0.06507 38 3PY 1.30265 0.88395 1.64219 0.02448 -0.52906 39 3PZ 0.22704 0.46115 -0.10612 0.95432 0.00383 40 4XX -0.01599 -0.00169 -0.00906 0.00183 -0.00411 41 4YY 0.02280 -0.00056 0.00541 0.00197 0.00476 42 4ZZ -0.01462 -0.00170 -0.00626 -0.00258 -0.00902 43 4XY -0.00729 -0.00066 0.00023 -0.00600 -0.00792 44 4XZ -0.00307 0.00787 0.01386 0.00581 -0.02221 45 4YZ -0.00004 -0.00010 0.00132 -0.00517 -0.00634 46 4 C 1S -0.01296 0.02519 -0.01495 0.03097 0.01683 47 2S 0.07116 0.00109 0.04973 -0.01401 -0.07230 48 2PX 0.06788 0.02342 -0.00338 0.02488 0.07979 49 2PY 0.11384 -0.02071 -0.12878 0.03394 0.02479 50 2PZ 0.00262 0.01210 -0.02321 0.02212 0.12900 51 3S -0.12881 -0.70162 0.32610 -1.09230 0.34637 52 3PX 0.64412 0.31952 0.23767 0.19787 0.16029 53 3PY 0.34091 0.25266 -0.41936 0.59062 0.42563 54 3PZ 0.52292 0.36320 0.19730 0.29142 0.22048 55 4XX 0.01454 0.00705 0.01100 -0.00146 -0.00352 56 4YY -0.01973 -0.00306 -0.00554 0.00261 0.00220 57 4ZZ 0.00892 0.00958 0.00914 0.00471 0.00087 58 4XY -0.00327 0.00920 -0.02001 0.01684 -0.00188 59 4XZ 0.01284 0.01387 0.01555 0.00384 0.00512 60 4YZ -0.00083 0.00927 -0.02309 0.02471 -0.00527 61 5 C 1S 0.01296 0.02519 -0.01495 0.03097 -0.01683 62 2S -0.07116 0.00109 0.04973 -0.01401 0.07230 63 2PX -0.06788 0.02342 -0.00339 0.02489 -0.07979 64 2PY 0.11384 0.02071 0.12878 -0.03394 0.02479 65 2PZ -0.00262 0.01210 -0.02321 0.02213 -0.12900 66 3S 0.12882 -0.70163 0.32609 -1.09229 -0.34642 67 3PX -0.64412 0.31953 0.23766 0.19788 -0.16028 68 3PY 0.34091 -0.25266 0.41937 -0.59063 0.42560 69 3PZ -0.52292 0.36321 0.19730 0.29143 -0.22047 70 4XX -0.01454 0.00705 0.01100 -0.00146 0.00352 71 4YY 0.01973 -0.00306 -0.00553 0.00261 -0.00220 72 4ZZ -0.00892 0.00958 0.00914 0.00471 -0.00087 73 4XY -0.00327 -0.00920 0.02001 -0.01684 -0.00188 74 4XZ -0.01283 0.01387 0.01555 0.00384 -0.00512 75 4YZ -0.00083 -0.00927 0.02309 -0.02471 -0.00528 76 6 C 1S 0.00820 -0.00967 0.02979 0.02474 0.03583 77 2S -0.01794 0.05931 -0.00262 -0.05519 0.01059 78 2PX 0.04407 0.08556 -0.08277 0.31835 -0.05725 79 2PY 0.13845 -0.07932 -0.11028 0.00889 0.00555 80 2PZ -0.08077 0.17329 -0.09216 0.26125 -0.02026 81 3S -0.49495 -0.04074 -0.84306 -0.39749 -1.05646 82 3PX 0.24256 0.23549 -0.46658 0.94437 -0.06501 83 3PY 1.30264 -0.88397 -1.64219 -0.02442 -0.52904 84 3PZ -0.22704 0.46115 -0.10612 0.95432 -0.00378 85 4XX 0.01599 -0.00169 -0.00906 0.00183 0.00412 86 4YY -0.02280 -0.00056 0.00541 0.00197 -0.00476 87 4ZZ 0.01462 -0.00170 -0.00626 -0.00258 0.00902 88 4XY -0.00729 0.00066 -0.00023 0.00600 -0.00792 89 4XZ 0.00307 0.00787 0.01386 0.00581 0.02221 90 4YZ -0.00004 0.00010 -0.00132 0.00517 -0.00634 91 7 H 1S -0.04720 0.06456 0.04592 0.06887 -0.01919 92 2S 0.17072 -0.20814 -0.32524 -0.39844 -0.33370 93 8 H 1S 0.04720 0.06456 0.04592 0.06887 0.01919 94 2S -0.17071 -0.20812 -0.32523 -0.39845 0.33368 95 9 H 1S 0.05900 -0.00266 0.10356 -0.06978 0.02970 96 2S -0.24931 -0.06428 -0.49231 0.22249 -0.17867 97 10 H 1S -0.05900 -0.00265 0.10356 -0.06978 -0.02971 98 2S 0.24930 -0.06428 -0.49230 0.22248 0.17868 99 11 O 1S -0.05912 -0.03431 -0.07691 -0.00772 0.02620 100 2S 0.09243 0.02617 0.06727 0.01148 -0.00185 101 2PX -0.01309 -0.02892 0.01220 -0.06435 -0.00941 102 2PY 0.11376 0.03241 0.10482 0.02129 -0.02667 103 2PZ -0.02654 -0.02406 0.02446 -0.07087 -0.01682 104 3S 0.98622 0.72118 1.57263 0.11276 -0.67020 105 3PX -0.04018 -0.10313 -0.03241 -0.21453 0.01284 106 3PY 0.40875 0.27116 0.63876 0.05685 -0.27281 107 3PZ -0.01259 -0.06635 0.11389 -0.19206 -0.04536 108 4XX -0.02356 -0.02321 -0.04470 -0.00270 0.01847 109 4YY 0.00389 0.00201 0.00078 -0.00037 0.00395 110 4ZZ -0.02480 -0.02235 -0.04830 -0.00405 0.02107 111 4XY -0.00406 -0.00264 -0.00856 0.00601 0.00792 112 4XZ -0.00665 -0.00028 0.00092 0.00094 -0.00890 113 4YZ 0.00504 0.00638 0.00309 0.00479 -0.00152 114 12 O 1S 0.05912 -0.03431 -0.07691 -0.00772 -0.02620 115 2S -0.09243 0.02617 0.06727 0.01148 0.00185 116 2PX 0.01309 -0.02892 0.01220 -0.06435 0.00941 117 2PY 0.11376 -0.03241 -0.10483 -0.02129 -0.02667 118 2PZ 0.02654 -0.02406 0.02446 -0.07087 0.01682 119 3S -0.98621 0.72119 1.57263 0.11271 0.67019 120 3PX 0.04018 -0.10313 -0.03240 -0.21452 -0.01284 121 3PY 0.40875 -0.27117 -0.63876 -0.05683 -0.27281 122 3PZ 0.01259 -0.06636 0.11389 -0.19206 0.04535 123 4XX 0.02356 -0.02321 -0.04470 -0.00270 -0.01847 124 4YY -0.00389 0.00201 0.00078 -0.00037 -0.00395 125 4ZZ 0.02480 -0.02235 -0.04830 -0.00405 -0.02107 126 4XY -0.00406 0.00264 0.00856 -0.00601 0.00792 127 4XZ 0.00665 -0.00028 0.00092 0.00094 0.00890 128 4YZ 0.00504 -0.00638 -0.00309 -0.00479 -0.00152 129 13 C 1S 0.00000 0.03834 -0.03750 -0.02887 0.00000 130 2S 0.00000 0.06117 0.02297 -0.01703 0.00000 131 2PX 0.00000 -0.03652 -0.01876 0.11443 0.00000 132 2PY -0.01070 0.00000 0.00000 0.00000 -0.05294 133 2PZ 0.00000 -0.02390 0.06001 0.07161 0.00000 134 3S -0.00001 -1.48059 0.99212 0.96573 0.00004 135 3PX 0.00000 -0.77243 0.42879 0.72517 0.00002 136 3PY -0.25764 0.00000 0.00001 -0.00002 0.92073 137 3PZ -0.00001 -1.11087 0.61068 0.91010 0.00004 138 4XX 0.00000 0.00938 0.01231 -0.01988 0.00000 139 4YY 0.00000 -0.01080 -0.01197 -0.00161 0.00000 140 4ZZ 0.00000 0.00699 0.00086 0.01860 0.00000 141 4XY -0.00467 0.00000 0.00000 0.00000 -0.02536 142 4XZ 0.00000 0.01651 -0.01668 -0.00525 0.00000 143 4YZ 0.01297 0.00000 0.00000 0.00000 -0.02281 144 14 H 1S 0.00000 0.01246 0.00384 0.10434 0.00000 145 2S 0.00000 -0.32039 0.15122 0.56593 0.00003 146 15 H 1S 0.00000 -0.02730 0.07745 -0.02387 0.00000 147 2S 0.00000 -0.10332 -0.12790 0.26103 0.00000 148 16 C 1S 0.01580 -0.05957 0.03893 0.03967 -0.04104 149 2S 0.00722 0.03302 0.00200 -0.02130 -0.04270 150 2PX 0.08973 0.05560 0.08499 -0.01346 -0.11697 151 2PY -0.00034 0.10733 -0.07840 -0.07534 0.13503 152 2PZ 0.00817 0.15663 -0.03215 -0.06721 -0.14644 153 3S -0.44631 1.87532 -1.04170 -1.24892 1.48661 154 3PX 0.07733 -0.00777 0.03915 0.04104 0.02514 155 3PY -0.03593 1.27574 -0.55638 -0.83228 1.16596 156 3PZ 0.01555 0.78110 -0.15639 -0.17613 0.52772 157 4XX -0.00271 -0.00840 -0.00602 0.00906 -0.00318 158 4YY 0.00283 0.01041 0.01024 0.00050 0.00031 159 4ZZ 0.00633 -0.00643 0.00687 -0.00605 -0.00586 160 4XY 0.00984 0.00620 0.00164 -0.00896 -0.01061 161 4XZ 0.00451 0.00667 0.00002 -0.00915 -0.00109 162 4YZ -0.00262 -0.00413 0.00299 -0.00026 -0.02427 163 17 H 1S 0.02511 0.02812 0.06480 -0.00636 -0.04435 164 2S 0.17973 0.68047 -0.14014 -0.34202 0.56758 165 18 C 1S 0.01147 0.04228 -0.01007 -0.01458 0.06945 166 2S -0.00681 -0.01516 0.03162 -0.02766 -0.03587 167 2PX -0.01029 0.03244 0.01416 0.03990 0.03861 168 2PY -0.01332 -0.05201 0.00453 0.04237 -0.11112 169 2PZ -0.05639 0.08463 -0.07029 0.00531 0.12048 170 3S -0.16886 -1.28665 0.29858 0.56772 -2.99066 171 3PX -0.16790 0.25431 -0.14369 -0.14362 0.43299 172 3PY -0.02423 0.25583 0.01570 -0.07312 -2.10011 173 3PZ -0.19697 1.04512 -0.40929 -0.54616 1.17293 174 4XX -0.00169 -0.00435 0.00053 0.00477 0.00932 175 4YY 0.00578 -0.01455 0.00901 0.00639 0.00020 176 4ZZ 0.00294 0.02749 -0.00358 -0.01782 -0.02103 177 4XY 0.00094 0.01156 -0.00293 -0.00409 -0.00278 178 4XZ -0.00561 -0.00088 -0.00310 0.00020 -0.00629 179 4YZ 0.00185 0.01114 -0.01099 -0.00457 -0.00927 180 19 H 1S 0.00756 -0.00737 0.04298 0.00883 -0.01398 181 2S 0.25956 -0.30956 0.24595 0.18031 -1.01852 182 20 C 1S -0.01580 -0.05957 0.03893 0.03967 0.04104 183 2S -0.00722 0.03302 0.00200 -0.02130 0.04269 184 2PX -0.08973 0.05560 0.08499 -0.01346 0.11696 185 2PY -0.00034 -0.10733 0.07840 0.07533 0.13503 186 2PZ -0.00817 0.15663 -0.03215 -0.06722 0.14643 187 3S 0.44634 1.87530 -1.04172 -1.24886 -1.48671 188 3PX -0.07733 -0.00777 0.03915 0.04104 -0.02514 189 3PY -0.03595 -1.27573 0.55639 0.83223 1.16602 190 3PZ -0.01554 0.78110 -0.15638 -0.17611 -0.52775 191 4XX 0.00271 -0.00840 -0.00602 0.00906 0.00318 192 4YY -0.00283 0.01041 0.01024 0.00050 -0.00031 193 4ZZ -0.00633 -0.00643 0.00687 -0.00605 0.00586 194 4XY 0.00984 -0.00620 -0.00164 0.00896 -0.01061 195 4XZ -0.00451 0.00667 0.00002 -0.00915 0.00108 196 4YZ -0.00262 0.00413 -0.00299 0.00026 -0.02427 197 21 H 1S -0.02511 0.02812 0.06480 -0.00636 0.04435 198 2S -0.17973 0.68047 -0.14014 -0.34199 -0.56761 199 22 C 1S -0.01147 0.04227 -0.01007 -0.01458 -0.06945 200 2S 0.00681 -0.01516 0.03162 -0.02766 0.03587 201 2PX 0.01029 0.03244 0.01416 0.03990 -0.03861 202 2PY -0.01332 0.05201 -0.00453 -0.04237 -0.11113 203 2PZ 0.05639 0.08462 -0.07029 0.00532 -0.12048 204 3S 0.16884 -1.28662 0.29859 0.56759 2.99071 205 3PX 0.16790 0.25432 -0.14369 -0.14360 -0.43301 206 3PY -0.02423 -0.25585 -0.01572 0.07322 -2.10011 207 3PZ 0.19698 1.04510 -0.40930 -0.54611 -1.17296 208 4XX 0.00169 -0.00435 0.00053 0.00477 -0.00932 209 4YY -0.00578 -0.01455 0.00901 0.00639 -0.00020 210 4ZZ -0.00294 0.02749 -0.00357 -0.01782 0.02103 211 4XY 0.00094 -0.01156 0.00293 0.00409 -0.00278 212 4XZ 0.00561 -0.00088 -0.00310 0.00019 0.00629 213 4YZ 0.00185 -0.01114 0.01099 0.00457 -0.00926 214 23 H 1S -0.00756 -0.00737 0.04298 0.00883 0.01398 215 2S -0.25957 -0.30954 0.24596 0.18026 1.01854 71 72 73 74 75 V V V V V Eigenvalues -- 0.34535 0.36194 0.37929 0.43080 0.44857 1 1 C 1S 0.09233 0.02305 -0.01159 0.00427 0.07170 2 2S -0.12109 -0.10195 -0.01763 -0.17173 0.01282 3 2PX -0.10775 -0.17030 -0.05042 -0.03745 0.03549 4 2PY 0.15512 -0.09340 -0.05694 0.04319 0.16251 5 2PZ -0.14763 -0.17503 0.02242 -0.15256 -0.01334 6 3S -1.99461 0.43883 0.48324 0.12876 -2.96169 7 3PX -0.46275 -0.61080 0.27690 -0.02586 -0.74119 8 3PY 1.39924 -0.93026 -0.24828 -0.09081 1.99890 9 3PZ -0.63653 -0.56157 0.24421 0.02013 -0.79319 10 4XX -0.00789 0.00199 -0.00753 -0.00922 -0.00277 11 4YY 0.02734 -0.00489 -0.00965 -0.02850 0.01289 12 4ZZ -0.00722 0.00216 0.01062 0.01616 -0.00615 13 4XY 0.00053 -0.00643 -0.00395 -0.01383 0.00291 14 4XZ 0.00637 0.00483 -0.00665 -0.00922 0.01025 15 4YZ -0.00204 -0.00054 0.00064 -0.01291 -0.00180 16 2 C 1S -0.09233 -0.02305 0.01159 0.00427 -0.07170 17 2S 0.12109 0.10195 0.01763 -0.17173 -0.01282 18 2PX 0.10775 0.17030 0.05043 -0.03745 -0.03549 19 2PY 0.15512 -0.09340 -0.05693 -0.04319 0.16251 20 2PZ 0.14763 0.17503 -0.02242 -0.15256 0.01334 21 3S 1.99461 -0.43886 -0.48324 0.12881 2.96169 22 3PX 0.46273 0.61080 -0.27689 -0.02585 0.74118 23 3PY 1.39924 -0.93024 -0.24828 0.09084 1.99891 24 3PZ 0.63652 0.56157 -0.24421 0.02015 0.79319 25 4XX 0.00789 -0.00199 0.00753 -0.00922 0.00277 26 4YY -0.02734 0.00489 0.00965 -0.02850 -0.01289 27 4ZZ 0.00722 -0.00216 -0.01062 0.01616 0.00615 28 4XY 0.00053 -0.00643 -0.00395 0.01383 0.00291 29 4XZ -0.00637 -0.00483 0.00665 -0.00922 -0.01025 30 4YZ -0.00204 -0.00054 0.00064 0.01291 -0.00180 31 3 C 1S 0.02377 0.09916 -0.00138 0.00476 0.07622 32 2S -0.03237 -0.04338 0.03048 -0.24962 -0.26794 33 2PX 0.11448 0.02650 -0.06564 0.10017 -0.13355 34 2PY -0.05264 0.02685 0.00283 -0.05620 -0.13276 35 2PZ 0.11912 0.01101 -0.04409 -0.17055 -0.12544 36 3S -0.59576 -2.63763 -0.08061 0.42902 -1.02153 37 3PX 0.12335 -0.03399 -0.19610 -0.07740 -0.10999 38 3PY -0.47707 0.43679 0.40140 -0.09893 -2.43305 39 3PZ -0.05912 0.05139 -0.12158 0.07286 -0.52290 40 4XX -0.00031 0.00164 -0.00217 -0.01491 -0.02218 41 4YY -0.00117 0.01085 -0.00529 -0.00069 0.04155 42 4ZZ 0.00579 0.00507 0.01099 -0.02841 -0.02253 43 4XY -0.02334 -0.00488 0.00271 0.00008 -0.00156 44 4XZ 0.00364 0.03764 0.01204 -0.03320 -0.02496 45 4YZ -0.02250 0.00642 -0.00232 0.00216 0.01658 46 4 C 1S 0.06708 -0.02624 0.00921 -0.00696 -0.11289 47 2S -0.11367 0.13160 0.01616 -0.31651 0.03851 48 2PX 0.08274 -0.18300 -0.00113 0.26931 -0.05884 49 2PY -0.18421 -0.09946 -0.04387 -0.11685 0.15872 50 2PZ 0.07461 -0.15414 -0.04378 -0.11174 -0.13728 51 3S -1.59300 -0.41066 -0.76040 0.29582 3.68810 52 3PX -0.02638 -0.44413 0.02507 -0.16934 -1.24980 53 3PY -1.62954 -0.77849 -0.73562 0.17600 1.60282 54 3PZ 0.01766 -0.61124 -0.00201 0.09438 -1.35555 55 4XX -0.01203 0.00127 0.00069 -0.00578 0.01132 56 4YY 0.03686 0.01332 0.00185 -0.05477 -0.04533 57 4ZZ -0.01415 0.00184 -0.00370 -0.01406 -0.00368 58 4XY -0.00070 0.00443 -0.00013 -0.00059 -0.00495 59 4XZ -0.00498 -0.00111 -0.00404 -0.02158 -0.02170 60 4YZ 0.00085 0.00633 0.00057 -0.02110 -0.00531 61 5 C 1S -0.06708 0.02624 -0.00921 -0.00696 0.11289 62 2S 0.11367 -0.13159 -0.01616 -0.31651 -0.03850 63 2PX -0.08274 0.18300 0.00113 0.26931 0.05883 64 2PY -0.18421 -0.09946 -0.04387 0.11686 0.15871 65 2PZ -0.07461 0.15414 0.04378 -0.11174 0.13728 66 3S 1.59299 0.41068 0.76040 0.29577 -3.68810 67 3PX 0.02640 0.44414 -0.02506 -0.16932 1.24978 68 3PY -1.62954 -0.77847 -0.73562 -0.17599 1.60284 69 3PZ -0.01765 0.61124 0.00201 0.09440 1.35555 70 4XX 0.01203 -0.00127 -0.00069 -0.00578 -0.01132 71 4YY -0.03686 -0.01332 -0.00185 -0.05477 0.04533 72 4ZZ 0.01415 -0.00184 0.00370 -0.01406 0.00368 73 4XY -0.00070 0.00443 -0.00013 0.00059 -0.00495 74 4XZ 0.00498 0.00111 0.00404 -0.02158 0.02170 75 4YZ 0.00085 0.00633 0.00056 0.02110 -0.00531 76 6 C 1S -0.02377 -0.09916 0.00138 0.00476 -0.07622 77 2S 0.03237 0.04338 -0.03048 -0.24962 0.26794 78 2PX -0.11448 -0.02651 0.06564 0.10017 0.13356 79 2PY -0.05264 0.02685 0.00284 0.05620 -0.13276 80 2PZ -0.11913 -0.01101 0.04409 -0.17055 0.12544 81 3S 0.59576 2.63763 0.08060 0.42905 1.02152 82 3PX -0.12334 0.03396 0.19610 -0.07740 0.11002 83 3PY -0.47709 0.43679 0.40140 0.09889 -2.43306 84 3PZ 0.05913 -0.05141 0.12158 0.07286 0.52290 85 4XX 0.00031 -0.00164 0.00217 -0.01491 0.02218 86 4YY 0.00117 -0.01085 0.00529 -0.00069 -0.04155 87 4ZZ -0.00579 -0.00507 -0.01099 -0.02841 0.02253 88 4XY -0.02334 -0.00488 0.00271 -0.00008 -0.00156 89 4XZ -0.00364 -0.03764 -0.01204 -0.03320 0.02496 90 4YZ -0.02250 0.00642 -0.00232 -0.00216 0.01658 91 7 H 1S 0.03818 0.01684 0.02217 0.04973 0.06840 92 2S -0.59668 -0.37120 0.28878 -0.14580 -0.55139 93 8 H 1S -0.03818 -0.01685 -0.02217 0.04973 -0.06840 94 2S 0.59668 0.37120 -0.28877 -0.14579 0.55139 95 9 H 1S -0.01385 -0.02738 -0.01109 -0.02116 -0.14088 96 2S -0.43337 0.32610 -0.10075 -0.09200 0.86622 97 10 H 1S 0.01385 0.02738 0.01109 -0.02116 0.14088 98 2S 0.43337 -0.32611 0.10076 -0.09201 -0.86622 99 11 O 1S 0.00995 -0.05218 -0.00786 0.00502 0.03134 100 2S -0.00827 0.03929 -0.01075 0.03552 0.08632 101 2PX -0.12235 -0.01382 -0.00645 0.01011 -0.00541 102 2PY -0.00201 0.11853 -0.01479 0.03617 0.12625 103 2PZ -0.10872 0.01595 -0.01679 0.01058 0.03986 104 3S -0.22705 1.07718 0.29327 -0.23706 -1.42451 105 3PX -0.09445 -0.07445 0.01224 0.01952 0.14745 106 3PY -0.07058 0.51591 0.09082 -0.09053 -0.38772 107 3PZ -0.09802 0.04639 0.03017 -0.00553 0.02940 108 4XX 0.00026 -0.03053 -0.01120 0.01641 0.05213 109 4YY -0.00081 -0.01270 -0.00119 0.00938 -0.00142 110 4ZZ 0.01275 -0.02942 -0.00738 0.01629 0.05364 111 4XY 0.01066 -0.00303 -0.00428 0.00734 0.00312 112 4XZ 0.00230 0.01635 0.00371 -0.00569 -0.00683 113 4YZ 0.01065 0.00404 0.00101 -0.01186 -0.01329 114 12 O 1S -0.00996 0.05218 0.00786 0.00502 -0.03134 115 2S 0.00827 -0.03929 0.01075 0.03552 -0.08632 116 2PX 0.12235 0.01382 0.00646 0.01011 0.00541 117 2PY -0.00200 0.11853 -0.01479 -0.03616 0.12625 118 2PZ 0.10872 -0.01595 0.01679 0.01058 -0.03986 119 3S 0.22706 -1.07718 -0.29327 -0.23705 1.42452 120 3PX 0.09445 0.07444 -0.01225 0.01952 -0.14744 121 3PY -0.07058 0.51592 0.09082 0.09053 -0.38773 122 3PZ 0.09802 -0.04639 -0.03017 -0.00553 -0.02940 123 4XX -0.00026 0.03053 0.01120 0.01640 -0.05213 124 4YY 0.00081 0.01270 0.00119 0.00938 0.00142 125 4ZZ -0.01275 0.02942 0.00738 0.01629 -0.05364 126 4XY 0.01066 -0.00303 -0.00428 -0.00734 0.00312 127 4XZ -0.00230 -0.01635 -0.00371 -0.00569 0.00683 128 4YZ 0.01065 0.00404 0.00101 0.01186 -0.01329 129 13 C 1S 0.00000 0.00000 0.00000 0.00936 0.00000 130 2S 0.00000 0.00000 0.00000 -0.03471 0.00000 131 2PX 0.00000 0.00000 0.00000 0.02380 0.00000 132 2PY 0.07825 -0.12547 0.26841 0.00000 0.11967 133 2PZ 0.00000 0.00000 0.00000 -0.02005 0.00000 134 3S 0.00000 0.00000 0.00001 0.11385 0.00000 135 3PX 0.00000 0.00000 0.00000 -0.11395 0.00000 136 3PY -0.24491 0.24931 0.95577 0.00000 0.00588 137 3PZ 0.00000 0.00000 0.00000 0.05276 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00259 0.00000 139 4YY 0.00000 0.00000 0.00000 0.01600 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00186 0.00000 141 4XY 0.00623 0.00165 -0.02605 0.00000 -0.00401 142 4XZ 0.00000 0.00000 0.00000 0.00756 0.00000 143 4YZ 0.01040 -0.00605 0.01415 0.00000 -0.00032 144 14 H 1S 0.00000 0.00000 0.00000 -0.00224 0.00000 145 2S 0.00000 0.00000 -0.00001 0.04665 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 -0.07611 0.00000 147 2S 0.00000 0.00000 0.00000 -0.05625 0.00000 148 16 C 1S 0.01187 -0.02126 0.03310 0.00896 0.00813 149 2S -0.00917 0.01019 0.03531 -0.06907 -0.05438 150 2PX 0.03729 0.03975 -0.13097 -0.01958 -0.05337 151 2PY -0.04999 0.02560 0.03703 0.06099 -0.00679 152 2PZ 0.02785 -0.00207 -0.17815 -0.11312 -0.09114 153 3S -0.43068 0.88415 -1.47710 -0.16903 -0.44531 154 3PX -0.08077 0.09473 -0.71940 -0.08831 -0.14910 155 3PY -0.31255 0.70281 -0.12540 -0.17447 -0.30161 156 3PZ -0.19650 0.48575 -1.79978 -0.01905 -0.38382 157 4XX 0.00555 -0.00017 -0.01038 0.01664 0.00585 158 4YY -0.00401 0.00623 -0.00780 -0.02111 -0.01187 159 4ZZ -0.00265 -0.00019 0.02932 0.00399 -0.00654 160 4XY 0.01424 -0.00437 0.01186 -0.00479 0.00603 161 4XZ -0.00417 0.00887 0.00092 -0.01107 -0.01215 162 4YZ 0.00322 -0.01493 0.00639 -0.00745 0.00201 163 17 H 1S 0.01209 -0.01243 -0.02788 -0.06678 -0.02431 164 2S -0.14033 0.33677 -0.17505 0.00313 -0.17448 165 18 C 1S -0.01881 0.05806 -0.01571 -0.01709 -0.03071 166 2S -0.00150 0.01606 0.01484 -0.32517 -0.04386 167 2PX -0.01128 0.11055 -0.00344 -0.28253 -0.11052 168 2PY 0.03041 -0.10514 -0.23498 -0.11006 0.04923 169 2PZ -0.01117 0.01994 -0.22684 0.06728 0.03585 170 3S 0.79962 -2.12280 0.72232 0.56446 0.92755 171 3PX -0.10481 0.16617 -0.36791 0.20820 -0.00487 172 3PY 0.42415 -1.10369 -1.36995 0.06844 0.08844 173 3PZ -0.34139 0.88489 -1.77855 -0.12692 -0.59461 174 4XX -0.00258 0.00008 -0.00182 0.01833 0.00649 175 4YY -0.00315 0.01693 0.02209 -0.05286 -0.01697 176 4ZZ 0.00515 -0.00109 -0.01210 -0.05043 -0.01238 177 4XY 0.00198 -0.00309 -0.00001 -0.01182 0.00443 178 4XZ -0.00154 -0.00391 0.00414 -0.02146 -0.00447 179 4YZ 0.00209 -0.00189 0.00265 0.02079 -0.00070 180 19 H 1S -0.00681 0.04681 -0.02361 -0.19938 -0.08297 181 2S 0.20669 -0.50763 0.29127 -0.01568 0.14455 182 20 C 1S -0.01187 0.02126 -0.03310 0.00896 -0.00813 183 2S 0.00917 -0.01019 -0.03530 -0.06907 0.05438 184 2PX -0.03729 -0.03975 0.13097 -0.01957 0.05337 185 2PY -0.04998 0.02560 0.03703 -0.06099 -0.00678 186 2PZ -0.02785 0.00207 0.17815 -0.11312 0.09114 187 3S 0.43067 -0.88416 1.47712 -0.16902 0.44532 188 3PX 0.08077 -0.09473 0.71941 -0.08831 0.14910 189 3PY -0.31255 0.70281 -0.12539 0.17446 -0.30161 190 3PZ 0.19650 -0.48577 1.79980 -0.01903 0.38382 191 4XX -0.00555 0.00017 0.01038 0.01664 -0.00585 192 4YY 0.00401 -0.00623 0.00780 -0.02111 0.01187 193 4ZZ 0.00265 0.00019 -0.02932 0.00399 0.00654 194 4XY 0.01424 -0.00437 0.01186 0.00479 0.00603 195 4XZ 0.00417 -0.00887 -0.00092 -0.01107 0.01215 196 4YZ 0.00322 -0.01493 0.00639 0.00746 0.00201 197 21 H 1S -0.01209 0.01243 0.02788 -0.06678 0.02431 198 2S 0.14032 -0.33677 0.17505 0.00314 0.17448 199 22 C 1S 0.01881 -0.05806 0.01571 -0.01709 0.03071 200 2S 0.00150 -0.01606 -0.01484 -0.32517 0.04387 201 2PX 0.01128 -0.11055 0.00344 -0.28253 0.11052 202 2PY 0.03041 -0.10514 -0.23498 0.11006 0.04923 203 2PZ 0.01117 -0.01994 0.22684 0.06728 -0.03585 204 3S -0.79962 2.12281 -0.72235 0.56444 -0.92756 205 3PX 0.10481 -0.16618 0.36792 0.20820 0.00487 206 3PY 0.42415 -1.10369 -1.36996 -0.06845 0.08844 207 3PZ 0.34138 -0.88489 1.77858 -0.12690 0.59461 208 4XX 0.00258 -0.00008 0.00182 0.01833 -0.00649 209 4YY 0.00315 -0.01693 -0.02209 -0.05286 0.01697 210 4ZZ -0.00516 0.00109 0.01210 -0.05043 0.01238 211 4XY 0.00198 -0.00309 -0.00001 0.01182 0.00443 212 4XZ 0.00154 0.00391 -0.00414 -0.02146 0.00447 213 4YZ 0.00209 -0.00189 0.00265 -0.02079 -0.00070 214 23 H 1S 0.00681 -0.04681 0.02361 -0.19938 0.08298 215 2S -0.20669 0.50763 -0.29127 -0.01569 -0.14455 76 77 78 79 80 V V V V V Eigenvalues -- 0.48425 0.48559 0.50351 0.51925 0.52833 1 1 C 1S 0.04092 -0.00161 -0.00886 -0.01126 -0.01079 2 2S -0.11697 -0.20589 0.01466 -0.02304 -0.18573 3 2PX -0.10648 -0.29091 -0.00509 0.06661 0.16720 4 2PY -0.07423 0.19795 0.03884 0.28388 0.03939 5 2PZ -0.12409 0.09626 0.11053 0.11292 -0.12678 6 3S -0.27323 -0.09270 0.23648 -0.13815 0.80976 7 3PX -1.28876 0.24634 0.07433 -0.03881 -0.09964 8 3PY -1.75099 -0.34938 0.12521 -0.44433 0.25334 9 3PZ -0.76944 -0.19877 -0.06456 -0.14367 0.66506 10 4XX -0.00229 -0.00676 0.00844 0.01424 -0.00599 11 4YY 0.01686 -0.04979 0.00775 -0.04739 -0.00508 12 4ZZ -0.00869 0.01775 -0.01565 0.02541 -0.02325 13 4XY 0.01428 -0.00843 0.00051 0.00942 0.00771 14 4XZ 0.02207 -0.02947 -0.00812 -0.00160 -0.01365 15 4YZ 0.00881 -0.01448 -0.00200 -0.01035 -0.00523 16 2 C 1S -0.04092 -0.00163 -0.00886 -0.01126 0.01079 17 2S 0.11707 -0.20583 0.01466 -0.02304 0.18572 18 2PX 0.10663 -0.29085 -0.00508 0.06661 -0.16720 19 2PY -0.07413 -0.19799 -0.03884 -0.28388 0.03938 20 2PZ 0.12404 0.09632 0.11052 0.11292 0.12678 21 3S 0.27325 -0.09252 0.23648 -0.13816 -0.80973 22 3PX 1.28864 0.24700 0.07431 -0.03880 0.09964 23 3PY -1.75114 0.34852 -0.12520 0.44430 0.25334 24 3PZ 0.76954 -0.19835 -0.06457 -0.14365 -0.66505 25 4XX 0.00230 -0.00676 0.00844 0.01424 0.00599 26 4YY -0.01684 -0.04980 0.00775 -0.04739 0.00508 27 4ZZ 0.00868 0.01775 -0.01565 0.02541 0.02325 28 4XY 0.01428 0.00844 -0.00051 -0.00942 0.00772 29 4XZ -0.02206 -0.02948 -0.00812 -0.00160 0.01365 30 4YZ 0.00881 0.01449 0.00200 0.01035 -0.00523 31 3 C 1S 0.01983 0.01143 0.01144 -0.00536 0.00444 32 2S -0.08948 -0.29650 -0.09979 0.09471 -0.04165 33 2PX 0.34928 -0.13600 -0.17720 0.09120 -0.04553 34 2PY -0.02166 -0.10617 -0.16494 0.03838 0.03969 35 2PZ 0.37304 0.19059 0.14979 0.03294 -0.05105 36 3S -0.18574 0.50061 0.26423 -0.28044 0.16207 37 3PX 1.46978 -0.00621 0.40289 -0.14090 -0.43358 38 3PY -0.61729 -0.07324 -0.05421 -0.08460 0.25724 39 3PZ 1.43167 -0.23837 0.01142 -0.12205 -0.26479 40 4XX 0.00104 -0.02064 0.00278 0.00806 0.01049 41 4YY 0.01045 0.00904 -0.00962 -0.00257 0.00851 42 4ZZ -0.01350 -0.02988 0.00789 0.00366 -0.00999 43 4XY -0.02030 -0.00495 0.00647 -0.03172 -0.00924 44 4XZ -0.00679 -0.03628 0.01647 -0.00576 -0.00324 45 4YZ -0.01551 0.00078 0.00061 -0.03298 0.00326 46 4 C 1S -0.00168 -0.00050 -0.01368 0.02228 0.00058 47 2S -0.06801 -0.16130 -0.19669 0.09457 -0.00092 48 2PX 0.10880 -0.12822 -0.04596 0.29724 0.00864 49 2PY 0.14246 -0.06374 -0.15230 0.36623 -0.01763 50 2PZ 0.10407 0.25974 -0.10572 0.02217 -0.02576 51 3S 1.65671 0.18671 -0.00906 0.21113 -0.37920 52 3PX 0.36885 0.09246 0.06075 -0.35666 -0.06359 53 3PY 2.83293 0.06783 0.31762 -0.63774 -0.62919 54 3PZ 0.64205 -0.19877 0.20172 -0.13722 -0.11098 55 4XX -0.00282 0.00448 -0.00653 -0.01605 -0.00185 56 4YY 0.00805 -0.02717 -0.03593 0.05776 -0.00460 57 4ZZ 0.00541 -0.00287 -0.01788 -0.00874 -0.00116 58 4XY 0.00607 -0.02196 0.01048 0.01655 -0.00270 59 4XZ 0.01560 0.00052 -0.03778 0.01034 -0.00370 60 4YZ 0.00884 -0.01423 0.00021 0.00214 -0.00208 61 5 C 1S 0.00168 -0.00050 -0.01368 0.02228 -0.00058 62 2S 0.06809 -0.16126 -0.19669 0.09457 0.00091 63 2PX -0.10874 -0.12828 -0.04596 0.29725 -0.00865 64 2PY 0.14243 0.06381 0.15230 -0.36623 -0.01763 65 2PZ -0.10420 0.25968 -0.10572 0.02217 0.02577 66 3S -1.65681 0.18583 -0.00903 0.21112 0.37920 67 3PX -0.36892 0.09229 0.06075 -0.35668 0.06361 68 3PY 2.83295 -0.06637 -0.31765 0.63778 -0.62919 69 3PZ -0.64195 -0.19909 0.20173 -0.13724 0.11097 70 4XX 0.00282 0.00448 -0.00652 -0.01605 0.00185 71 4YY -0.00804 -0.02718 -0.03593 0.05776 0.00460 72 4ZZ -0.00541 -0.00288 -0.01788 -0.00874 0.00116 73 4XY 0.00606 0.02196 -0.01048 -0.01656 -0.00270 74 4XZ -0.01560 0.00051 -0.03778 0.01034 0.00370 75 4YZ 0.00883 0.01424 -0.00021 -0.00214 -0.00208 76 6 C 1S -0.01984 0.01142 0.01144 -0.00536 -0.00444 77 2S 0.08962 -0.29646 -0.09979 0.09470 0.04165 78 2PX -0.34921 -0.13617 -0.17720 0.09120 0.04553 79 2PY -0.02172 0.10615 0.16494 -0.03838 0.03970 80 2PZ -0.37313 0.19039 0.14979 0.03293 0.05106 81 3S 0.18552 0.50071 0.26423 -0.28044 -0.16206 82 3PX -1.46977 -0.00696 0.40290 -0.14093 0.43359 83 3PY -0.61735 0.07290 0.05422 0.08460 0.25726 84 3PZ -1.43156 -0.23909 0.01143 -0.12208 0.26478 85 4XX -0.00103 -0.02064 0.00278 0.00806 -0.01049 86 4YY -0.01045 0.00904 -0.00962 -0.00257 -0.00851 87 4ZZ 0.01352 -0.02987 0.00789 0.00366 0.00999 88 4XY -0.02030 0.00494 -0.00647 0.03172 -0.00924 89 4XZ 0.00681 -0.03628 0.01647 -0.00576 0.00324 90 4YZ -0.01551 -0.00079 -0.00061 0.03297 0.00326 91 7 H 1S 0.07077 -0.00788 -0.09894 0.00566 -0.01563 92 2S -0.01304 -0.05559 -0.09763 -0.01441 0.09787 93 8 H 1S -0.07076 -0.00791 -0.09894 0.00566 0.01563 94 2S 0.01307 -0.05558 -0.09763 -0.01441 -0.09787 95 9 H 1S 0.03919 0.06106 -0.15808 0.06524 -0.00641 96 2S 0.25217 -0.09081 0.04299 0.03308 -0.07389 97 10 H 1S -0.03923 0.06104 -0.15808 0.06524 0.00641 98 2S -0.25213 -0.09095 0.04299 0.03308 0.07389 99 11 O 1S 0.00748 0.00289 0.00906 0.00165 -0.00748 100 2S 0.02963 0.05426 -0.00897 -0.00960 0.00620 101 2PX 0.00515 -0.01684 -0.00661 -0.12130 -0.00021 102 2PY 0.03619 0.05661 -0.01611 -0.01898 0.01655 103 2PZ 0.01638 0.00296 0.01900 -0.11684 -0.00565 104 3S -0.40565 -0.27035 -0.17418 0.01304 0.16379 105 3PX -0.20170 0.01711 -0.02701 0.00336 0.04025 106 3PY -0.12005 -0.09684 -0.09929 0.00935 0.06412 107 3PZ -0.24974 0.01682 -0.02463 -0.00398 0.04950 108 4XX 0.01313 0.02464 0.00665 -0.01246 -0.00458 109 4YY 0.00088 -0.00034 0.00108 0.00332 -0.00906 110 4ZZ 0.01559 0.02438 0.00766 0.00674 -0.00053 111 4XY 0.01342 -0.00278 -0.01483 0.01628 0.00249 112 4XZ -0.00423 -0.01211 0.00005 0.00087 -0.00116 113 4YZ 0.00943 0.00964 0.00877 0.01402 -0.00152 114 12 O 1S -0.00748 0.00288 0.00906 0.00165 0.00748 115 2S -0.02966 0.05425 -0.00897 -0.00960 -0.00620 116 2PX -0.00514 -0.01684 -0.00661 -0.12130 0.00021 117 2PY 0.03622 -0.05659 0.01611 0.01898 0.01655 118 2PZ -0.01638 0.00295 0.01900 -0.11684 0.00565 119 3S 0.40578 -0.27012 -0.17419 0.01304 -0.16380 120 3PX 0.20170 0.01721 -0.02701 0.00337 -0.04025 121 3PY -0.12009 0.09677 0.09929 -0.00935 0.06413 122 3PZ 0.24973 0.01695 -0.02463 -0.00398 -0.04950 123 4XX -0.01315 0.02463 0.00665 -0.01246 0.00458 124 4YY -0.00088 -0.00034 0.00108 0.00332 0.00906 125 4ZZ -0.01561 0.02437 0.00767 0.00674 0.00053 126 4XY 0.01341 0.00279 0.01483 -0.01628 0.00249 127 4XZ 0.00424 -0.01210 0.00005 0.00087 0.00116 128 4YZ 0.00943 -0.00964 -0.00877 -0.01402 -0.00152 129 13 C 1S 0.00000 0.01351 -0.02730 0.00120 0.00000 130 2S 0.00000 0.00446 -0.00527 0.03128 0.00000 131 2PX -0.00001 0.04202 -0.05032 -0.06250 -0.00001 132 2PY -0.00521 0.00000 0.00000 0.00000 -0.61585 133 2PZ -0.00001 0.05318 -0.06560 0.03669 -0.00001 134 3S 0.00011 -0.41335 0.39168 -0.34227 0.00002 135 3PX 0.00009 -0.35748 0.64239 0.00843 0.00002 136 3PY 0.12704 0.00003 0.00000 0.00001 0.74369 137 3PZ 0.00010 -0.40863 0.82781 -0.17612 0.00002 138 4XX 0.00000 0.00092 0.01357 0.04533 0.00000 139 4YY 0.00000 -0.00486 -0.03632 -0.02744 0.00000 140 4ZZ 0.00000 0.00206 0.00482 -0.01690 0.00000 141 4XY 0.01516 0.00000 0.00000 0.00000 -0.00231 142 4XZ 0.00000 0.01857 -0.04032 -0.01396 0.00000 143 4YZ -0.00659 0.00000 0.00000 0.00000 0.00768 144 14 H 1S 0.00000 0.01448 0.02893 -0.04868 0.00000 145 2S 0.00003 -0.10832 0.33628 -0.01359 0.00000 146 15 H 1S 0.00000 -0.01903 0.20580 0.16391 0.00000 147 2S 0.00000 0.02387 0.08287 -0.09512 0.00000 148 16 C 1S 0.00834 -0.01605 0.03448 0.00580 0.02856 149 2S -0.06406 -0.08352 0.01279 -0.02337 0.00572 150 2PX -0.12741 -0.16593 -0.00353 -0.00153 -0.33397 151 2PY -0.04254 -0.03646 -0.10583 -0.09361 -0.07975 152 2PZ -0.02696 -0.03931 0.20867 0.02725 0.18193 153 3S -0.29690 0.53045 -0.63857 0.15463 0.18415 154 3PX 0.00133 0.25632 -0.00251 -0.06773 0.55675 155 3PY -0.06493 0.40431 -0.41953 0.29319 0.14996 156 3PZ -0.47877 0.15923 -0.49599 0.01683 -0.48610 157 4XX 0.00480 -0.00471 -0.03063 -0.01997 -0.04029 158 4YY -0.01251 0.01921 0.00172 0.02567 0.04154 159 4ZZ -0.00136 -0.03221 0.03682 0.00194 0.03091 160 4XY -0.00793 0.00816 0.00520 0.02375 -0.04120 161 4XZ -0.00109 -0.01228 -0.00251 -0.00596 0.03053 162 4YZ 0.00859 -0.01021 0.03294 0.00046 -0.00683 163 17 H 1S -0.02077 0.05071 0.16714 0.15307 0.22884 164 2S -0.09765 0.10541 -0.23926 0.05231 0.00398 165 18 C 1S -0.01810 0.00759 -0.01553 -0.00182 -0.00782 166 2S 0.00004 0.04988 0.11695 0.06936 0.15212 167 2PX -0.05337 -0.06508 -0.18383 -0.18172 -0.21614 168 2PY -0.03319 0.14802 -0.27699 -0.04718 -0.13853 169 2PZ -0.03474 0.16109 -0.18110 0.04129 -0.08464 170 3S 0.55193 -0.27098 0.21367 -0.12151 0.08063 171 3PX -0.11827 0.03205 0.15173 0.17608 0.04357 172 3PY 0.01330 -0.20973 0.34972 -0.00199 0.19123 173 3PZ -0.54580 -0.04679 -0.04148 0.03445 -0.06172 174 4XX 0.00466 -0.01122 0.00903 0.00305 0.00200 175 4YY 0.00267 0.02604 -0.01892 0.00415 0.03224 176 4ZZ -0.01173 -0.00358 0.02203 0.00688 -0.00175 177 4XY 0.00102 -0.00621 -0.01128 -0.00805 0.00314 178 4XZ 0.00247 0.00644 0.02836 0.00240 0.02355 179 4YZ 0.00153 -0.01784 -0.00997 -0.01174 0.00326 180 19 H 1S -0.02210 0.11367 0.05488 0.05231 0.04173 181 2S 0.21206 -0.05401 0.01236 -0.08675 0.10564 182 20 C 1S -0.00833 -0.01605 0.03448 0.00580 -0.02856 183 2S 0.06411 -0.08349 0.01279 -0.02338 -0.00572 184 2PX 0.12749 -0.16588 -0.00354 -0.00153 0.33398 185 2PY -0.04256 0.03643 0.10583 0.09361 -0.07975 186 2PZ 0.02698 -0.03929 0.20867 0.02725 -0.18193 187 3S 0.29663 0.53062 -0.63858 0.15463 -0.18417 188 3PX -0.00145 0.25634 -0.00251 -0.06773 -0.55676 189 3PY -0.06472 -0.40434 0.41952 -0.29318 0.14998 190 3PZ 0.47869 0.15949 -0.49602 0.01685 0.48610 191 4XX -0.00480 -0.00471 -0.03064 -0.01997 0.04029 192 4YY 0.01250 0.01922 0.00172 0.02567 -0.04154 193 4ZZ 0.00138 -0.03221 0.03682 0.00194 -0.03091 194 4XY -0.00793 -0.00817 -0.00520 -0.02375 -0.04120 195 4XZ 0.00110 -0.01228 -0.00250 -0.00596 -0.03053 196 4YZ 0.00858 0.01021 -0.03294 -0.00046 -0.00683 197 21 H 1S 0.02075 0.05072 0.16714 0.15307 -0.22885 198 2S 0.09759 0.10546 -0.23926 0.05231 -0.00398 199 22 C 1S 0.01810 0.00760 -0.01553 -0.00182 0.00782 200 2S -0.00007 0.04988 0.11695 0.06935 -0.15213 201 2PX 0.05340 -0.06505 -0.18384 -0.18172 0.21615 202 2PY -0.03311 -0.14804 0.27700 0.04717 -0.13852 203 2PZ 0.03465 0.16111 -0.18110 0.04130 0.08463 204 3S -0.55180 -0.27126 0.21368 -0.12151 -0.08061 205 3PX 0.11826 0.03211 0.15174 0.17608 -0.04357 206 3PY 0.01319 0.20973 -0.34971 0.00198 0.19122 207 3PZ 0.54583 -0.04651 -0.04150 0.03445 0.06173 208 4XX -0.00466 -0.01122 0.00903 0.00305 -0.00200 209 4YY -0.00269 0.02604 -0.01892 0.00415 -0.03224 210 4ZZ 0.01173 -0.00357 0.02203 0.00688 0.00175 211 4XY 0.00102 0.00621 0.01128 0.00805 0.00314 212 4XZ -0.00247 0.00644 0.02836 0.00240 -0.02355 213 4YZ 0.00152 0.01785 0.00997 0.01174 0.00327 214 23 H 1S 0.02205 0.11368 0.05488 0.05230 -0.04174 215 2S -0.21203 -0.05411 0.01236 -0.08676 -0.10564 81 82 83 84 85 V V V V V Eigenvalues -- 0.54429 0.54786 0.56139 0.56699 0.58446 1 1 C 1S -0.00066 -0.02566 -0.02490 0.00438 -0.00439 2 2S -0.16195 0.00373 -0.08309 -0.05827 -0.08882 3 2PX -0.06435 -0.10563 0.19258 0.18026 -0.15747 4 2PY -0.00482 -0.02625 0.28441 -0.07094 0.05089 5 2PZ -0.13865 -0.00316 0.19708 -0.16126 0.13362 6 3S 0.24051 1.05450 0.06038 0.43043 -0.27409 7 3PX 0.03088 0.33797 -0.21091 -0.16399 0.19152 8 3PY 0.02129 -0.57472 -0.36289 0.17313 -0.18357 9 3PZ 0.20457 0.46067 -0.20796 0.40507 -0.28353 10 4XX 0.00486 -0.00230 0.02853 -0.00798 -0.00990 11 4YY -0.02368 0.00413 -0.04417 -0.00182 -0.01027 12 4ZZ -0.01038 -0.00364 -0.01785 0.01291 -0.00780 13 4XY -0.01862 0.00206 -0.00705 0.01507 0.01940 14 4XZ 0.00911 0.00070 -0.03209 0.01174 -0.06252 15 4YZ -0.00014 0.00828 0.01885 -0.00950 0.01658 16 2 C 1S -0.00066 0.02566 -0.02490 0.00438 -0.00439 17 2S -0.16196 -0.00373 -0.08309 -0.05827 -0.08882 18 2PX -0.06434 0.10562 0.19259 0.18026 -0.15746 19 2PY 0.00482 -0.02624 -0.28440 0.07093 -0.05090 20 2PZ -0.13865 0.00316 0.19708 -0.16126 0.13361 21 3S 0.24055 -1.05452 0.06035 0.43042 -0.27404 22 3PX 0.03088 -0.33795 -0.21093 -0.16397 0.19153 23 3PY -0.02130 -0.57473 0.36286 -0.17316 0.18359 24 3PZ 0.20460 -0.46067 -0.20797 0.40508 -0.28349 25 4XX 0.00486 0.00230 0.02854 -0.00798 -0.00990 26 4YY -0.02368 -0.00413 -0.04417 -0.00182 -0.01027 27 4ZZ -0.01038 0.00364 -0.01785 0.01290 -0.00780 28 4XY 0.01862 0.00206 0.00705 -0.01507 -0.01941 29 4XZ 0.00911 -0.00070 -0.03209 0.01174 -0.06252 30 4YZ 0.00014 0.00828 -0.01885 0.00950 -0.01658 31 3 C 1S -0.01764 0.00514 0.02357 -0.00483 0.00432 32 2S -0.05542 -0.11841 -0.12841 0.08584 0.04994 33 2PX -0.06710 0.28172 -0.01570 -0.15306 0.18475 34 2PY -0.00509 0.13298 -0.11406 -0.05236 -0.01491 35 2PZ 0.14284 -0.29825 0.01556 -0.07121 0.04653 36 3S -0.16684 0.15026 0.51909 -0.13027 0.15100 37 3PX 0.06005 -0.47720 0.07389 0.41989 -0.42049 38 3PY -0.07436 0.84645 0.00202 -0.24520 0.08281 39 3PZ -0.16873 0.32028 0.10033 0.14282 -0.19812 40 4XX -0.02807 0.00382 0.00362 -0.00734 0.02137 41 4YY 0.00346 -0.00635 -0.00250 0.00332 -0.01078 42 4ZZ -0.02229 -0.01782 0.01501 0.02053 0.01224 43 4XY -0.00246 -0.00379 -0.01244 0.00108 0.01608 44 4XZ -0.04033 -0.00116 0.04293 -0.00162 0.02270 45 4YZ -0.01581 -0.00652 -0.01187 0.00577 0.01347 46 4 C 1S 0.01557 0.01703 -0.01243 -0.00847 0.00511 47 2S -0.06359 -0.04319 -0.02259 -0.11736 0.26395 48 2PX 0.05266 0.21086 -0.13561 -0.05378 0.09305 49 2PY 0.15975 -0.01255 -0.06811 -0.05007 -0.07267 50 2PZ 0.28590 -0.17820 -0.07854 0.01982 -0.30987 51 3S 0.18386 -1.11519 -0.09845 0.01968 -0.21828 52 3PX -0.12752 0.05861 0.19552 0.03630 -0.06786 53 3PY -0.25643 -0.88813 0.12280 0.14821 0.07172 54 3PZ -0.31469 0.37975 0.15861 -0.00498 0.28794 55 4XX -0.00022 -0.01571 -0.00804 0.00821 0.00449 56 4YY 0.00979 -0.01129 -0.00225 -0.01882 0.02277 57 4ZZ -0.00540 0.00642 -0.01446 -0.02044 0.03705 58 4XY -0.01275 -0.01531 0.00429 -0.00067 0.01099 59 4XZ 0.02249 -0.00729 -0.03476 -0.02550 0.03460 60 4YZ -0.00239 0.00414 0.00455 0.00999 -0.01689 61 5 C 1S 0.01557 -0.01703 -0.01243 -0.00847 0.00511 62 2S -0.06359 0.04320 -0.02259 -0.11736 0.26395 63 2PX 0.05266 -0.21085 -0.13562 -0.05378 0.09305 64 2PY -0.15975 -0.01257 0.06811 0.05007 0.07267 65 2PZ 0.28590 0.17821 -0.07853 0.01982 -0.30988 66 3S 0.18383 1.11520 -0.09843 0.01969 -0.21831 67 3PX -0.12752 -0.05861 0.19553 0.03630 -0.06786 68 3PY 0.25647 -0.88811 -0.12281 -0.14821 -0.07169 69 3PZ -0.31470 -0.37977 0.15859 -0.00500 0.28795 70 4XX -0.00022 0.01571 -0.00804 0.00821 0.00449 71 4YY 0.00979 0.01129 -0.00225 -0.01882 0.02277 72 4ZZ -0.00540 -0.00642 -0.01446 -0.02044 0.03705 73 4XY 0.01275 -0.01531 -0.00429 0.00067 -0.01099 74 4XZ 0.02249 0.00730 -0.03476 -0.02550 0.03460 75 4YZ 0.00239 0.00414 -0.00455 -0.00999 0.01689 76 6 C 1S -0.01764 -0.00514 0.02357 -0.00483 0.00432 77 2S -0.05542 0.11841 -0.12840 0.08584 0.04993 78 2PX -0.06710 -0.28171 -0.01571 -0.15307 0.18475 79 2PY 0.00509 0.13296 0.11406 0.05236 0.01491 80 2PZ 0.14283 0.29825 0.01557 -0.07120 0.04653 81 3S -0.16683 -0.15028 0.51908 -0.13026 0.15102 82 3PX 0.06002 0.47716 0.07390 0.41988 -0.42050 83 3PY 0.07434 0.84644 -0.00200 0.24522 -0.08285 84 3PZ -0.16874 -0.32029 0.10031 0.14280 -0.19812 85 4XX -0.02807 -0.00382 0.00362 -0.00734 0.02137 86 4YY 0.00346 0.00635 -0.00250 0.00332 -0.01078 87 4ZZ -0.02229 0.01782 0.01502 0.02053 0.01224 88 4XY 0.00246 -0.00379 0.01244 -0.00108 -0.01608 89 4XZ -0.04033 0.00116 0.04293 -0.00162 0.02270 90 4YZ 0.01581 -0.00652 0.01187 -0.00577 -0.01347 91 7 H 1S 0.03362 -0.07474 -0.18450 0.13490 -0.19446 92 2S -0.05679 0.24151 0.04669 0.08473 0.13656 93 8 H 1S 0.03361 0.07475 -0.18450 0.13491 -0.19446 94 2S -0.05678 -0.24151 0.04668 0.08473 0.13657 95 9 H 1S 0.13558 0.00781 -0.16602 -0.11284 0.10366 96 2S -0.03057 -0.27202 0.02284 0.05457 -0.03557 97 10 H 1S 0.13558 -0.00779 -0.16602 -0.11284 0.10366 98 2S -0.03058 0.27201 0.02285 0.05457 -0.03557 99 11 O 1S 0.00512 -0.02340 0.00204 0.01143 -0.00200 100 2S -0.03778 0.04479 0.03284 -0.02863 0.01881 101 2PX -0.03092 0.04808 -0.03858 -0.05409 0.09927 102 2PY 0.00718 0.02899 0.01691 -0.02916 -0.01554 103 2PZ -0.01504 -0.06315 -0.05190 0.01020 0.05803 104 3S -0.01994 0.55771 -0.16368 -0.17912 0.03147 105 3PX 0.00207 -0.03096 -0.00451 -0.00224 0.03407 106 3PY -0.03172 0.24109 -0.07481 -0.09866 0.02243 107 3PZ 0.00226 0.01754 -0.02522 -0.03375 0.03156 108 4XX -0.00047 -0.00664 0.00815 0.00147 -0.00571 109 4YY -0.01601 0.00937 0.00768 -0.00048 0.01710 110 4ZZ -0.00398 -0.00234 0.01246 -0.00049 0.00461 111 4XY -0.00006 0.01648 0.00251 -0.01012 0.00095 112 4XZ -0.00370 0.00643 0.00100 0.00270 -0.00017 113 4YZ 0.01041 -0.01493 0.00617 -0.00515 -0.00205 114 12 O 1S 0.00512 0.02340 0.00204 0.01143 -0.00200 115 2S -0.03778 -0.04479 0.03284 -0.02863 0.01881 116 2PX -0.03092 -0.04808 -0.03858 -0.05409 0.09927 117 2PY -0.00718 0.02898 -0.01691 0.02916 0.01554 118 2PZ -0.01504 0.06315 -0.05189 0.01020 0.05803 119 3S -0.01993 -0.55769 -0.16369 -0.17913 0.03149 120 3PX 0.00208 0.03096 -0.00451 -0.00224 0.03407 121 3PY 0.03171 0.24108 0.07481 0.09866 -0.02243 122 3PZ 0.00226 -0.01754 -0.02522 -0.03375 0.03156 123 4XX -0.00047 0.00664 0.00815 0.00147 -0.00571 124 4YY -0.01601 -0.00937 0.00768 -0.00048 0.01710 125 4ZZ -0.00398 0.00234 0.01246 -0.00049 0.00461 126 4XY 0.00006 0.01648 -0.00251 0.01012 -0.00095 127 4XZ -0.00370 -0.00643 0.00100 0.00270 -0.00017 128 4YZ -0.01041 -0.01493 -0.00617 0.00515 0.00205 129 13 C 1S -0.00324 0.00000 0.00834 0.02655 0.02405 130 2S -0.10984 0.00000 -0.13835 -0.15480 -0.19067 131 2PX -0.21402 0.00001 -0.36076 -0.31458 -0.22031 132 2PY 0.00001 -0.08265 0.00001 0.00000 -0.00001 133 2PZ -0.25900 0.00000 -0.06546 -0.25726 -0.37001 134 3S 0.61475 0.00001 0.08211 0.07741 0.34438 135 3PX 0.55584 -0.00001 0.40752 0.58049 0.29403 136 3PY -0.00002 0.02420 -0.00001 0.00000 0.00001 137 3PZ 0.88997 0.00001 -0.16122 0.25258 0.65340 138 4XX -0.03122 0.00000 0.03391 0.01917 -0.04062 139 4YY -0.00443 0.00000 0.02006 -0.04726 -0.00859 140 4ZZ 0.04031 0.00000 -0.05782 0.03580 0.04942 141 4XY 0.00000 -0.01166 0.00000 0.00000 0.00000 142 4XZ -0.02655 0.00000 -0.04086 0.00753 0.00694 143 4YZ 0.00000 -0.02039 0.00000 0.00000 0.00000 144 14 H 1S 0.17664 0.00000 -0.15176 0.25903 0.26518 145 2S 0.20724 0.00000 -0.07830 -0.04305 0.02785 146 15 H 1S -0.07078 0.00000 0.06985 0.07458 -0.03115 147 2S 0.04524 0.00000 -0.12138 0.06589 0.17292 148 16 C 1S 0.01215 0.01015 -0.02081 -0.02232 -0.01877 149 2S -0.07134 -0.12377 -0.11713 0.14016 -0.02402 150 2PX 0.07592 -0.11773 0.12698 0.23733 -0.18569 151 2PY 0.04608 0.02159 0.09444 0.02314 0.06735 152 2PZ -0.05535 -0.21882 -0.09328 -0.17552 -0.12976 153 3S -0.53952 -0.22254 0.27752 -0.41258 -0.04626 154 3PX -0.05737 0.05708 -0.30176 -0.50112 0.37330 155 3PY -0.59557 -0.28993 0.03431 0.04583 -0.08899 156 3PZ -0.19896 0.12904 0.28229 0.45202 0.14088 157 4XX 0.02243 0.00846 0.02508 0.01237 0.01838 158 4YY -0.04298 -0.00741 -0.06931 0.02897 -0.01522 159 4ZZ -0.00196 -0.01432 0.00909 -0.03890 -0.02742 160 4XY 0.01431 -0.01847 0.03011 0.03762 0.01504 161 4XZ -0.00269 -0.00768 -0.01562 -0.03797 -0.02663 162 4YZ 0.02958 0.00029 -0.02704 0.02163 0.03936 163 17 H 1S -0.00401 -0.03777 -0.20859 0.12341 0.07603 164 2S -0.21981 -0.12963 0.18612 0.00713 -0.03045 165 18 C 1S -0.01297 -0.05385 0.00284 0.01882 0.00484 166 2S -0.30962 -0.02869 -0.10864 -0.04436 -0.07284 167 2PX 0.29753 -0.12714 0.13673 -0.08741 0.10365 168 2PY -0.21673 0.24081 0.12253 0.06871 -0.04873 169 2PZ -0.19884 0.10833 -0.03046 0.26668 0.06056 170 3S 0.55631 0.76183 0.07210 -0.11064 -0.07576 171 3PX -0.27771 0.04257 0.02292 0.21203 -0.10572 172 3PY 0.31098 0.21691 -0.23685 -0.05866 0.08344 173 3PZ 0.00735 -0.45835 0.22928 -0.23927 0.01460 174 4XX 0.01450 0.03966 -0.00332 -0.00791 0.01461 175 4YY -0.07187 -0.05189 0.00111 -0.00431 -0.02114 176 4ZZ -0.01440 -0.03243 -0.02564 0.02715 -0.00077 177 4XY 0.01748 0.00048 0.03171 -0.01698 -0.01357 178 4XZ -0.01942 -0.02010 -0.02273 0.01280 0.01703 179 4YZ -0.00972 0.00021 0.02396 -0.04526 -0.04673 180 19 H 1S -0.08828 -0.22775 -0.18157 0.25043 0.14205 181 2S 0.05643 0.23275 -0.08429 -0.15872 -0.15171 182 20 C 1S 0.01216 -0.01015 -0.02081 -0.02232 -0.01877 183 2S -0.07134 0.12377 -0.11712 0.14016 -0.02402 184 2PX 0.07591 0.11771 0.12698 0.23732 -0.18569 185 2PY -0.04608 0.02159 -0.09444 -0.02314 -0.06735 186 2PZ -0.05534 0.21883 -0.09327 -0.17551 -0.12975 187 3S -0.53953 0.22253 0.27753 -0.41257 -0.04625 188 3PX -0.05736 -0.05704 -0.30176 -0.50110 0.37330 189 3PY 0.59558 -0.28992 -0.03432 -0.04584 0.08898 190 3PZ -0.19899 -0.12906 0.28227 0.45202 0.14089 191 4XX 0.02243 -0.00846 0.02508 0.01237 0.01838 192 4YY -0.04297 0.00741 -0.06931 0.02897 -0.01522 193 4ZZ -0.00196 0.01432 0.00909 -0.03890 -0.02742 194 4XY -0.01430 -0.01847 -0.03011 -0.03762 -0.01504 195 4XZ -0.00269 0.00768 -0.01562 -0.03797 -0.02664 196 4YZ -0.02958 0.00029 0.02704 -0.02163 -0.03936 197 21 H 1S -0.00400 0.03777 -0.20859 0.12341 0.07603 198 2S -0.21981 0.12962 0.18613 0.00714 -0.03044 199 22 C 1S -0.01297 0.05385 0.00284 0.01882 0.00484 200 2S -0.30961 0.02870 -0.10863 -0.04436 -0.07284 201 2PX 0.29751 0.12713 0.13673 -0.08742 0.10365 202 2PY 0.21673 0.24082 -0.12251 -0.06870 0.04873 203 2PZ -0.19884 -0.10833 -0.03046 0.26668 0.06057 204 3S 0.55635 -0.76183 0.07208 -0.11066 -0.07577 205 3PX -0.27771 -0.04257 0.02291 0.21203 -0.10572 206 3PY -0.31099 0.21689 0.23685 0.05866 -0.08344 207 3PZ 0.00733 0.45835 0.22929 -0.23926 0.01459 208 4XX 0.01450 -0.03966 -0.00332 -0.00791 0.01461 209 4YY -0.07187 0.05189 0.00112 -0.00430 -0.02114 210 4ZZ -0.01440 0.03244 -0.02563 0.02715 -0.00077 211 4XY -0.01748 0.00048 -0.03171 0.01698 0.01357 212 4XZ -0.01942 0.02010 -0.02273 0.01280 0.01703 213 4YZ 0.00972 0.00021 -0.02396 0.04526 0.04673 214 23 H 1S -0.08829 0.22776 -0.18156 0.25044 0.14206 215 2S 0.05644 -0.23274 -0.08430 -0.15873 -0.15171 86 87 88 89 90 V V V V V Eigenvalues -- 0.60219 0.61795 0.62438 0.64902 0.65691 1 1 C 1S 0.00078 0.00937 -0.00433 -0.00620 0.01992 2 2S -0.07055 0.02278 -0.13127 -0.06480 -0.11297 3 2PX 0.06144 0.08481 -0.10137 -0.02998 0.12171 4 2PY -0.08440 -0.05310 -0.12927 0.21481 0.20611 5 2PZ -0.04690 -0.02419 -0.05761 0.14850 -0.04679 6 3S 0.26809 -0.58460 0.52432 0.71396 0.57916 7 3PX -0.04307 -0.22604 0.03561 0.19883 -0.05232 8 3PY 0.28068 0.50860 0.39611 -0.11250 0.36329 9 3PZ -0.06548 -0.29810 0.23741 0.35070 0.63408 10 4XX 0.03417 0.01957 0.00228 -0.02767 -0.01755 11 4YY 0.00113 -0.01511 0.00251 0.03456 0.01900 12 4ZZ -0.02807 0.00387 -0.02759 -0.00810 0.01277 13 4XY -0.03751 -0.00310 0.00286 0.01805 -0.00453 14 4XZ 0.00444 -0.00507 -0.00765 -0.00859 0.04771 15 4YZ 0.01340 -0.00126 -0.00877 0.00206 -0.01309 16 2 C 1S 0.00078 -0.00937 -0.00433 0.00620 -0.01992 17 2S -0.07054 -0.02279 -0.13127 0.06480 0.11297 18 2PX 0.06146 -0.08481 -0.10137 0.02998 -0.12172 19 2PY 0.08443 -0.05309 0.12927 0.21480 0.20611 20 2PZ -0.04690 0.02418 -0.05760 -0.14849 0.04679 21 3S 0.26802 0.58464 0.52430 -0.71397 -0.57914 22 3PX -0.04311 0.22603 0.03561 -0.19883 0.05234 23 3PY -0.28071 0.50857 -0.39614 -0.11249 0.36329 24 3PZ -0.06554 0.29811 0.23740 -0.35070 -0.63407 25 4XX 0.03418 -0.01957 0.00228 0.02767 0.01755 26 4YY 0.00113 0.01511 0.00251 -0.03456 -0.01900 27 4ZZ -0.02807 -0.00388 -0.02759 0.00810 -0.01277 28 4XY 0.03751 -0.00310 -0.00286 0.01805 -0.00453 29 4XZ 0.00444 0.00507 -0.00765 0.00858 -0.04770 30 4YZ -0.01340 -0.00126 0.00877 0.00206 -0.01309 31 3 C 1S 0.00641 -0.00503 -0.00774 0.01622 -0.01546 32 2S -0.10536 0.06320 0.02856 -0.17537 0.14541 33 2PX 0.11763 -0.07422 -0.22205 0.03720 0.13483 34 2PY 0.15935 -0.07493 -0.04052 0.33204 -0.30612 35 2PZ 0.06824 0.07334 0.35353 0.01943 0.01913 36 3S -0.32745 -0.17816 -0.28478 -0.11289 0.50632 37 3PX -0.15079 0.06332 0.50784 -0.69731 -0.68300 38 3PY 0.12626 -0.29352 0.02167 -0.05638 0.44880 39 3PZ -0.00651 -0.09770 -0.48596 -0.38492 -0.43548 40 4XX -0.01889 0.00370 -0.01841 -0.02709 0.02153 41 4YY 0.01325 -0.01359 0.00782 0.05172 -0.04907 42 4ZZ -0.02151 0.00246 -0.00522 -0.02625 0.04180 43 4XY -0.00707 0.00378 0.01942 -0.01233 0.02879 44 4XZ -0.02291 0.00763 -0.01395 -0.01718 0.03375 45 4YZ -0.00854 0.00493 -0.00031 0.00599 0.00275 46 4 C 1S 0.00980 -0.00507 0.01125 0.01804 0.01633 47 2S -0.02502 0.02302 0.06413 0.00329 0.16506 48 2PX 0.01161 -0.12643 0.29916 -0.23992 0.05177 49 2PY 0.07184 -0.03961 0.01469 -0.10549 -0.29882 50 2PZ 0.15579 0.11738 -0.21890 0.25877 -0.35264 51 3S 0.09667 0.38534 -0.08234 -0.33392 -0.28043 52 3PX -0.01795 0.01032 -0.41930 0.23819 -0.17154 53 3PY -0.12497 0.29644 0.00868 -0.72847 0.07475 54 3PZ -0.21036 -0.30472 0.28495 -0.75179 0.37964 55 4XX 0.00861 -0.00087 -0.00675 0.00928 -0.01458 56 4YY 0.00071 0.01392 0.00548 0.01459 0.07397 57 4ZZ 0.00102 -0.00440 0.03068 0.00051 0.00600 58 4XY -0.00588 0.00500 0.01364 -0.00256 0.00675 59 4XZ 0.02302 0.00419 0.03053 0.03175 0.01453 60 4YZ 0.00242 -0.00069 -0.02795 -0.01402 0.01289 61 5 C 1S 0.00980 0.00507 0.01125 -0.01804 -0.01633 62 2S -0.02502 -0.02302 0.06413 -0.00329 -0.16507 63 2PX 0.01162 0.12644 0.29915 0.23992 -0.05176 64 2PY -0.07184 -0.03962 -0.01468 -0.10549 -0.29882 65 2PZ 0.15579 -0.11737 -0.21889 -0.25879 0.35263 66 3S 0.09671 -0.38533 -0.08234 0.33391 0.28045 67 3PX -0.01796 -0.01034 -0.41929 -0.23818 0.17152 68 3PY 0.12492 0.29646 -0.00868 -0.72847 0.07474 69 3PZ -0.21035 0.30471 0.28492 0.75181 -0.37964 70 4XX 0.00861 0.00087 -0.00674 -0.00928 0.01458 71 4YY 0.00071 -0.01392 0.00548 -0.01459 -0.07397 72 4ZZ 0.00102 0.00440 0.03068 -0.00051 -0.00600 73 4XY 0.00588 0.00500 -0.01364 -0.00256 0.00675 74 4XZ 0.02302 -0.00419 0.03053 -0.03175 -0.01453 75 4YZ -0.00242 -0.00069 0.02795 -0.01401 0.01288 76 6 C 1S 0.00641 0.00503 -0.00774 -0.01623 0.01546 77 2S -0.10535 -0.06321 0.02856 0.17538 -0.14541 78 2PX 0.11764 0.07422 -0.22206 -0.03721 -0.13484 79 2PY -0.15935 -0.07495 0.04052 0.33206 -0.30615 80 2PZ 0.06824 -0.07332 0.35353 -0.01943 -0.01913 81 3S -0.32750 0.17812 -0.28480 0.11292 -0.50635 82 3PX -0.15075 -0.06331 0.50783 0.69732 0.68302 83 3PY -0.12624 -0.29352 -0.02165 -0.05639 0.44886 84 3PZ -0.00648 0.09769 -0.48597 0.38491 0.43549 85 4XX -0.01889 -0.00370 -0.01841 0.02709 -0.02153 86 4YY 0.01325 0.01360 0.00782 -0.05172 0.04908 87 4ZZ -0.02151 -0.00246 -0.00522 0.02625 -0.04180 88 4XY 0.00707 0.00378 -0.01942 -0.01233 0.02879 89 4XZ -0.02291 -0.00763 -0.01395 0.01718 -0.03375 90 4YZ 0.00854 0.00493 0.00031 0.00599 0.00275 91 7 H 1S -0.10092 -0.03126 -0.02690 0.07397 0.19898 92 2S -0.22105 -0.25357 -0.09167 0.23317 -0.06275 93 8 H 1S -0.10093 0.03126 -0.02690 -0.07397 -0.19898 94 2S -0.22108 0.25354 -0.09167 -0.23317 0.06275 95 9 H 1S 0.10495 0.00627 0.14206 0.09957 0.13618 96 2S -0.02327 0.13919 -0.03305 -0.09968 0.07091 97 10 H 1S 0.10495 -0.00626 0.14206 -0.09957 -0.13619 98 2S -0.02326 -0.13919 -0.03305 0.09967 -0.07090 99 11 O 1S -0.01505 0.00686 0.00195 -0.01852 0.01035 100 2S 0.00145 -0.01241 -0.00984 0.00041 -0.03123 101 2PX 0.06030 -0.04064 0.00783 0.05827 0.16358 102 2PY 0.06280 -0.02621 -0.00924 0.13052 -0.12278 103 2PZ -0.00975 0.02836 0.10084 0.01405 0.06203 104 3S 0.26841 -0.15315 -0.00333 0.18896 0.10488 105 3PX -0.05650 0.03961 -0.05171 0.04533 0.06290 106 3PY 0.15007 -0.05943 -0.01384 0.14995 -0.05956 107 3PZ 0.02225 -0.01969 0.03434 0.07762 0.06980 108 4XX -0.00021 -0.00040 -0.00285 0.01518 -0.02694 109 4YY -0.02791 0.00954 -0.00978 -0.07226 0.05846 110 4ZZ -0.00960 -0.00416 0.01038 -0.01079 -0.01029 111 4XY 0.01073 -0.00518 -0.02250 0.01716 -0.01938 112 4XZ 0.00073 -0.00200 -0.00259 0.00193 -0.00282 113 4YZ 0.00167 0.00489 0.01495 -0.00742 0.00224 114 12 O 1S -0.01505 -0.00686 0.00195 0.01852 -0.01035 115 2S 0.00145 0.01241 -0.00984 -0.00041 0.03124 116 2PX 0.06030 0.04064 0.00783 -0.05827 -0.16358 117 2PY -0.06280 -0.02622 0.00924 0.13052 -0.12279 118 2PZ -0.00975 -0.02836 0.10084 -0.01405 -0.06203 119 3S 0.26839 0.15318 -0.00333 -0.18897 -0.10489 120 3PX -0.05650 -0.03961 -0.05171 -0.04532 -0.06290 121 3PY -0.15007 -0.05944 0.01384 0.14996 -0.05957 122 3PZ 0.02224 0.01969 0.03434 -0.07762 -0.06980 123 4XX -0.00021 0.00040 -0.00285 -0.01518 0.02694 124 4YY -0.02791 -0.00955 -0.00978 0.07226 -0.05846 125 4ZZ -0.00960 0.00416 0.01038 0.01079 0.01030 126 4XY -0.01073 -0.00518 0.02250 0.01716 -0.01938 127 4XZ 0.00073 0.00200 -0.00259 -0.00193 0.00282 128 4YZ -0.00167 0.00489 -0.01495 -0.00742 0.00224 129 13 C 1S 0.00451 0.00000 -0.01789 0.00000 0.00000 130 2S -0.31251 -0.00001 0.05826 0.00001 0.00000 131 2PX -0.23535 -0.00001 -0.06785 0.00000 0.00000 132 2PY 0.00002 -0.38682 0.00001 0.24650 0.16999 133 2PZ -0.28279 0.00000 0.22350 0.00001 0.00000 134 3S 1.09474 0.00003 -0.38146 -0.00003 0.00001 135 3PX 0.95372 0.00003 0.22840 -0.00003 0.00000 136 3PY -0.00003 0.48082 0.00000 -0.70190 -0.30065 137 3PZ 1.19701 0.00003 -0.46812 -0.00004 0.00000 138 4XX -0.02368 0.00000 0.01253 0.00000 0.00000 139 4YY 0.01331 0.00000 -0.01326 0.00000 0.00000 140 4ZZ -0.01646 0.00000 -0.02266 0.00000 0.00000 141 4XY 0.00000 -0.00386 0.00000 -0.01886 0.00118 142 4XZ -0.02480 0.00000 -0.02291 0.00000 0.00000 143 4YZ 0.00000 0.01261 0.00000 -0.03409 0.00141 144 14 H 1S 0.01101 0.00000 -0.06335 0.00000 0.00000 145 2S 0.41475 0.00001 -0.06786 -0.00002 0.00000 146 15 H 1S 0.10960 0.00000 -0.00719 -0.00001 0.00000 147 2S 0.18577 0.00001 0.04013 -0.00001 0.00000 148 16 C 1S -0.02293 0.03433 -0.00622 -0.00441 -0.01687 149 2S 0.19878 -0.20269 -0.06051 0.05874 -0.06528 150 2PX -0.04288 -0.00728 0.28270 -0.35657 -0.16144 151 2PY 0.26067 -0.09555 -0.08501 0.10328 -0.02523 152 2PZ 0.32241 -0.28750 0.02431 0.11256 0.08712 153 3S -0.94901 -0.04330 0.12211 -0.54746 0.31799 154 3PX -0.03187 0.03918 -0.50793 0.64173 0.47867 155 3PY -0.98086 -0.09761 0.22095 -0.63111 0.21792 156 3PZ -0.47872 -0.06066 0.06813 -0.17335 0.00837 157 4XX 0.03091 -0.01178 -0.00316 0.01246 0.00548 158 4YY -0.07458 0.01288 -0.01476 -0.00956 -0.01950 159 4ZZ 0.01467 -0.00329 0.00009 -0.01397 -0.00600 160 4XY -0.01271 0.00984 -0.00254 -0.01551 0.00687 161 4XZ -0.04140 0.04079 -0.01043 -0.01708 -0.00953 162 4YZ 0.00587 -0.00055 -0.03058 0.01489 0.00247 163 17 H 1S -0.24662 0.11690 -0.13063 -0.12555 -0.06049 164 2S -0.18129 -0.17729 0.12317 -0.23258 0.13807 165 18 C 1S 0.02873 -0.06892 0.00519 -0.00461 0.00615 166 2S 0.14249 0.13873 0.04217 0.00216 -0.01720 167 2PX -0.20484 0.39564 0.01110 0.16603 0.16419 168 2PY 0.10894 0.26013 0.16006 0.13252 0.03194 169 2PZ 0.15916 -0.23921 0.04360 0.04049 -0.01878 170 3S 0.19157 0.40388 0.05722 0.41061 -0.33582 171 3PX 0.21359 -0.80966 0.09157 -0.48663 -0.31714 172 3PY 0.00713 0.01997 -0.31046 0.20663 -0.11714 173 3PZ -0.32554 -0.22114 -0.03397 -0.26203 0.33298 174 4XX -0.00419 0.03573 -0.01497 0.00611 0.00464 175 4YY 0.01736 -0.05319 0.03183 -0.01738 -0.00530 176 4ZZ 0.06076 -0.02801 -0.00981 0.01636 -0.00261 177 4XY -0.00994 -0.00357 0.02359 -0.00628 -0.00071 178 4XZ 0.06455 -0.04704 -0.00310 0.02061 0.00497 179 4YZ 0.04777 0.00285 0.01930 -0.00130 0.00446 180 19 H 1S 0.07333 -0.22722 -0.03418 0.01189 -0.00759 181 2S 0.07442 0.41477 -0.02347 0.17659 -0.08512 182 20 C 1S -0.02293 -0.03433 -0.00622 0.00441 0.01687 183 2S 0.19876 0.20270 -0.06051 -0.05875 0.06529 184 2PX -0.04287 0.00729 0.28270 0.35658 0.16143 185 2PY -0.26065 -0.09557 0.08501 0.10329 -0.02523 186 2PZ 0.32237 0.28753 0.02430 -0.11257 -0.08713 187 3S -0.94901 0.04325 0.12211 0.54753 -0.31799 188 3PX -0.03190 -0.03920 -0.50792 -0.64175 -0.47865 189 3PY 0.98083 -0.09755 -0.22093 -0.63117 0.21792 190 3PZ -0.47873 0.06063 0.06813 0.17337 -0.00835 191 4XX 0.03091 0.01178 -0.00316 -0.01246 -0.00548 192 4YY -0.07458 -0.01289 -0.01476 0.00957 0.01950 193 4ZZ 0.01467 0.00330 0.00009 0.01397 0.00600 194 4XY 0.01270 0.00985 0.00254 -0.01551 0.00687 195 4XZ -0.04140 -0.04079 -0.01043 0.01708 0.00953 196 4YZ -0.00587 -0.00055 0.03058 0.01489 0.00246 197 21 H 1S -0.24660 -0.11693 -0.13063 0.12556 0.06050 198 2S -0.18130 0.17728 0.12316 0.23259 -0.13807 199 22 C 1S 0.02872 0.06892 0.00519 0.00461 -0.00615 200 2S 0.14251 -0.13872 0.04217 -0.00217 0.01720 201 2PX -0.20482 -0.39565 0.01111 -0.16602 -0.16418 202 2PY -0.10896 0.26012 -0.16007 0.13252 0.03194 203 2PZ 0.15913 0.23921 0.04359 -0.04048 0.01878 204 3S 0.19157 -0.40387 0.05724 -0.41062 0.33582 205 3PX 0.21356 0.80969 0.09154 0.48663 0.31714 206 3PY -0.00711 0.01998 0.31045 0.20663 -0.11714 207 3PZ -0.32554 0.22112 -0.03398 0.26203 -0.33297 208 4XX -0.00419 -0.03573 -0.01497 -0.00611 -0.00464 209 4YY 0.01736 0.05319 0.03183 0.01738 0.00530 210 4ZZ 0.06076 0.02801 -0.00981 -0.01636 0.00261 211 4XY 0.00994 -0.00357 -0.02359 -0.00628 -0.00071 212 4XZ 0.06455 0.04704 -0.00310 -0.02062 -0.00497 213 4YZ -0.04777 0.00285 -0.01930 -0.00130 0.00446 214 23 H 1S 0.07331 0.22722 -0.03419 -0.01188 0.00759 215 2S 0.07445 -0.41476 -0.02345 -0.17660 0.08512 91 92 93 94 95 V V V V V Eigenvalues -- 0.66459 0.67570 0.69245 0.72476 0.72863 1 1 C 1S 0.00278 0.00268 0.00865 0.01228 0.00260 2 2S -0.04938 -0.16079 0.11018 0.01977 0.15820 3 2PX 0.08771 -0.35181 0.15365 -0.24351 0.28087 4 2PY -0.00810 -0.12313 -0.08405 -0.16297 -0.03525 5 2PZ 0.00954 -0.07431 -0.05396 0.35995 -0.06333 6 3S -0.45990 0.06401 -0.15224 0.48432 -0.07607 7 3PX -0.30568 0.63701 -0.26022 0.13081 -0.59316 8 3PY -0.03336 0.61291 0.21670 0.58896 0.00062 9 3PZ -0.25503 0.30302 0.06913 -0.56406 0.10444 10 4XX -0.01451 0.00502 -0.00034 -0.00601 0.03364 11 4YY 0.00963 -0.03350 0.03164 0.02095 -0.00024 12 4ZZ -0.01374 0.00214 -0.00781 0.00814 -0.00834 13 4XY -0.02641 -0.00827 -0.01507 -0.01821 -0.00444 14 4XZ -0.03848 0.00492 0.01400 0.03807 0.03838 15 4YZ -0.01726 -0.00781 -0.02984 -0.00995 -0.00083 16 2 C 1S 0.00278 -0.00268 0.00865 0.01228 -0.00260 17 2S -0.04938 0.16079 0.11017 0.01979 -0.15820 18 2PX 0.08770 0.35181 0.15365 -0.24348 -0.28091 19 2PY 0.00810 -0.12313 0.08405 0.16298 -0.03524 20 2PZ 0.00954 0.07431 -0.05395 0.35995 0.06336 21 3S -0.45991 -0.06402 -0.15227 0.48427 0.07612 22 3PX -0.30567 -0.63702 -0.26023 0.13076 0.59318 23 3PY 0.03337 0.61291 -0.21670 -0.58901 0.00058 24 3PZ -0.25505 -0.30302 0.06909 -0.56406 -0.10449 25 4XX -0.01451 -0.00502 -0.00034 -0.00601 -0.03364 26 4YY 0.00963 0.03350 0.03164 0.02095 0.00024 27 4ZZ -0.01374 -0.00214 -0.00781 0.00814 0.00834 28 4XY 0.02641 -0.00827 0.01507 0.01821 -0.00444 29 4XZ -0.03848 -0.00492 0.01400 0.03808 -0.03838 30 4YZ 0.01726 -0.00781 0.02984 0.00995 -0.00083 31 3 C 1S -0.04845 -0.01152 -0.01402 -0.02533 -0.00733 32 2S 0.14706 0.11145 0.07601 0.02153 -0.06377 33 2PX 0.20871 0.15829 -0.02871 -0.18092 0.01454 34 2PY -0.60266 -0.41747 -0.21543 -0.13024 -0.06531 35 2PZ -0.03836 -0.21099 0.14094 -0.16031 0.07280 36 3S 0.65529 1.00306 0.04624 -0.20607 -0.34253 37 3PX -0.45953 -0.20442 0.17763 0.44558 -0.34158 38 3PY 0.96088 0.30830 0.43979 1.01544 0.51370 39 3PZ -0.03143 0.44411 -0.20601 0.61048 0.00390 40 4XX 0.02968 0.04554 0.01850 0.02022 0.00765 41 4YY -0.09018 -0.04746 -0.02684 -0.06429 -0.07772 42 4ZZ 0.03649 0.02673 0.00502 -0.01083 0.01361 43 4XY 0.01874 -0.01194 0.00591 0.01386 0.01415 44 4XZ 0.00310 0.03607 0.00026 -0.01661 -0.01452 45 4YZ -0.01536 -0.01395 -0.01147 -0.01767 0.02583 46 4 C 1S 0.01504 -0.02605 0.00822 -0.00166 0.02476 47 2S 0.07864 0.06435 0.04778 -0.13307 -0.09060 48 2PX -0.12778 -0.31353 -0.01835 0.08943 -0.32928 49 2PY 0.05399 0.02853 0.01944 0.12141 -0.21671 50 2PZ 0.02562 0.17850 0.02221 -0.04815 0.11999 51 3S -0.26220 0.31745 -0.19702 -0.20488 -0.20339 52 3PX 0.31037 0.73062 -0.00747 0.12312 0.67600 53 3PY -0.15261 0.76794 0.00435 -0.24216 -0.20778 54 3PZ 0.09819 -0.23466 0.04285 0.34263 -0.29318 55 4XX 0.00194 -0.00425 -0.00877 -0.04130 0.00253 56 4YY 0.02732 0.00623 0.01019 0.00645 0.03869 57 4ZZ -0.00756 -0.01633 0.00751 -0.00373 -0.03162 58 4XY -0.03050 0.01077 -0.01925 0.00607 0.00097 59 4XZ 0.00540 -0.04126 0.01071 -0.05167 0.01383 60 4YZ -0.02179 0.01046 -0.00812 -0.01901 -0.00129 61 5 C 1S 0.01504 0.02605 0.00822 -0.00166 -0.02476 62 2S 0.07863 -0.06435 0.04778 -0.13308 0.09059 63 2PX -0.12779 0.31353 -0.01834 0.08940 0.32928 64 2PY -0.05400 0.02853 -0.01944 -0.12139 -0.21672 65 2PZ 0.02565 -0.17850 0.02220 -0.04814 -0.11999 66 3S -0.26219 -0.31745 -0.19701 -0.20486 0.20340 67 3PX 0.31039 -0.73062 -0.00751 0.12317 -0.67598 68 3PY 0.15263 0.76793 -0.00437 0.24216 -0.20775 69 3PZ 0.09815 0.23466 0.04287 0.34259 0.29320 70 4XX 0.00194 0.00425 -0.00877 -0.04130 -0.00253 71 4YY 0.02732 -0.00623 0.01019 0.00645 -0.03868 72 4ZZ -0.00756 0.01633 0.00751 -0.00373 0.03162 73 4XY 0.03050 0.01077 0.01925 -0.00607 0.00097 74 4XZ 0.00540 0.04126 0.01071 -0.05166 -0.01383 75 4YZ 0.02179 0.01046 0.00812 0.01900 -0.00129 76 6 C 1S -0.04845 0.01152 -0.01402 -0.02533 0.00733 77 2S 0.14705 -0.11144 0.07601 0.02152 0.06378 78 2PX 0.20870 -0.15829 -0.02872 -0.18091 -0.01455 79 2PY 0.60265 -0.41747 0.21542 0.13024 -0.06531 80 2PZ -0.03836 0.21099 0.14094 -0.16031 -0.07281 81 3S 0.65527 -1.00305 0.04621 -0.20611 0.34249 82 3PX -0.45951 0.20441 0.17767 0.44555 0.34158 83 3PY -0.96087 0.30829 -0.43976 -1.01543 0.51364 84 3PZ -0.03141 -0.44411 -0.20601 0.61048 -0.00386 85 4XX 0.02968 -0.04554 0.01850 0.02022 -0.00765 86 4YY -0.09017 0.04746 -0.02684 -0.06429 0.07772 87 4ZZ 0.03648 -0.02673 0.00502 -0.01083 -0.01361 88 4XY -0.01873 -0.01194 -0.00591 -0.01386 0.01414 89 4XZ 0.00310 -0.03607 0.00026 -0.01661 0.01452 90 4YZ 0.01536 -0.01395 0.01147 0.01767 0.02583 91 7 H 1S 0.01605 -0.06512 0.12342 0.16232 -0.01110 92 2S -0.10257 -0.04562 -0.10162 -0.52562 -0.08629 93 8 H 1S 0.01604 0.06512 0.12342 0.16231 0.01111 94 2S -0.10256 0.04562 -0.10163 -0.52564 0.08625 95 9 H 1S 0.18927 -0.11055 0.15220 -0.11324 0.14326 96 2S -0.20186 0.22755 -0.04632 -0.16356 -0.20022 97 10 H 1S 0.18927 0.11055 0.15219 -0.11323 -0.14327 98 2S -0.20187 -0.22755 -0.04631 -0.16357 0.20020 99 11 O 1S 0.02531 0.02025 0.00462 -0.00958 -0.01167 100 2S -0.08845 -0.04650 -0.05664 0.05111 0.12024 101 2PX 0.05798 -0.00264 0.04854 -0.02242 -0.00942 102 2PY -0.25321 -0.13049 -0.08615 -0.15062 -0.12278 103 2PZ -0.01004 -0.10570 0.02789 -0.13110 0.09643 104 3S 0.24017 -0.11285 0.21880 0.53267 0.26066 105 3PX 0.05626 0.03548 -0.07531 -0.11296 0.05162 106 3PY -0.13399 -0.21061 -0.01028 0.28264 0.30131 107 3PZ -0.00403 -0.04625 0.01284 0.03107 -0.02071 108 4XX -0.03313 -0.00793 -0.01518 0.00389 0.02601 109 4YY 0.10753 0.06832 0.02256 0.07171 0.07917 110 4ZZ -0.03517 -0.03817 -0.02989 0.00461 0.02051 111 4XY -0.01358 0.00323 -0.01142 -0.02157 -0.00863 112 4XZ -0.00388 -0.00541 -0.00639 0.00340 0.00111 113 4YZ 0.01490 0.00578 0.01525 0.00181 -0.00051 114 12 O 1S 0.02531 -0.02025 0.00462 -0.00958 0.01167 115 2S -0.08845 0.04650 -0.05664 0.05112 -0.12023 116 2PX 0.05797 0.00264 0.04853 -0.02243 0.00942 117 2PY 0.25320 -0.13049 0.08615 0.15062 -0.12277 118 2PZ -0.01004 0.10570 0.02789 -0.13110 -0.09643 119 3S 0.24017 0.11285 0.21879 0.53268 -0.26062 120 3PX 0.05626 -0.03547 -0.07531 -0.11295 -0.05162 121 3PY 0.13399 -0.21061 0.01029 -0.28266 0.30128 122 3PZ -0.00403 0.04625 0.01284 0.03107 0.02072 123 4XX -0.03313 0.00793 -0.01518 0.00390 -0.02601 124 4YY 0.10753 -0.06832 0.02256 0.07171 -0.07916 125 4ZZ -0.03517 0.03817 -0.02989 0.00461 -0.02051 126 4XY 0.01358 0.00323 0.01142 0.02157 -0.00863 127 4XZ -0.00388 0.00541 -0.00639 0.00340 -0.00110 128 4YZ -0.01490 0.00578 -0.01525 -0.00181 -0.00051 129 13 C 1S -0.01592 0.00000 0.04150 0.00522 0.00000 130 2S 0.09781 0.00000 -0.18354 -0.00846 0.00000 131 2PX 0.09694 0.00000 -0.20669 -0.05842 0.00000 132 2PY 0.00000 0.03183 0.00000 -0.00001 0.16868 133 2PZ 0.00748 0.00000 0.02535 -0.08750 0.00000 134 3S -0.42723 -0.00002 0.76021 0.54856 0.00001 135 3PX -0.29982 -0.00001 0.68848 0.37030 0.00002 136 3PY 0.00000 -0.25583 -0.00001 0.00004 -0.41302 137 3PZ -0.07711 -0.00001 -0.06028 0.61019 0.00004 138 4XX -0.00042 0.00000 0.05825 -0.08426 -0.00001 139 4YY -0.01786 0.00000 0.04668 0.04361 0.00000 140 4ZZ 0.01242 0.00000 -0.07517 0.05386 0.00000 141 4XY 0.00000 -0.02786 0.00000 0.00000 0.01757 142 4XZ -0.02494 0.00000 0.01275 0.03849 0.00000 143 4YZ 0.00000 -0.01331 0.00000 0.00000 -0.01383 144 14 H 1S -0.05307 0.00000 -0.03136 0.20713 0.00001 145 2S -0.08364 -0.00001 0.16210 0.13473 0.00001 146 15 H 1S -0.07769 0.00000 0.39110 -0.18908 -0.00002 147 2S -0.13920 0.00000 0.13595 0.38362 0.00002 148 16 C 1S 0.00387 0.00932 -0.00263 -0.01304 -0.00128 149 2S -0.12797 0.11211 0.21775 0.18204 -0.13049 150 2PX 0.12948 -0.14783 -0.36033 0.09053 0.05865 151 2PY -0.08091 0.10358 0.17269 0.28138 0.00906 152 2PZ 0.19735 0.08535 -0.35491 -0.09019 -0.29452 153 3S 0.11055 -0.42829 -0.12404 -0.40595 0.04654 154 3PX -0.27614 0.21592 0.45211 0.19570 -0.07828 155 3PY 0.07513 -0.45257 -0.05879 -0.58238 0.05723 156 3PZ -0.38429 -0.04850 0.98636 0.01837 0.46434 157 4XX 0.01497 -0.00206 -0.02592 -0.00460 0.00803 158 4YY -0.01014 0.01986 -0.00189 -0.02561 -0.01169 159 4ZZ -0.02513 -0.00085 0.07034 0.01695 -0.01129 160 4XY -0.00882 -0.00866 0.02898 -0.04707 0.01256 161 4XZ -0.00693 -0.00223 0.00926 0.00771 -0.00176 162 4YZ -0.01351 0.00410 0.00478 0.02205 0.02157 163 17 H 1S -0.04169 0.02315 0.01610 -0.02481 0.06048 164 2S -0.03823 -0.19090 0.23815 -0.09686 0.03817 165 18 C 1S 0.00719 0.00725 -0.00547 -0.00230 -0.01877 166 2S -0.11409 0.00389 0.19648 0.17205 0.10348 167 2PX -0.03888 -0.03112 -0.12786 0.03443 -0.38585 168 2PY 0.02613 0.05606 -0.00685 0.01135 0.01070 169 2PZ 0.09202 0.04076 -0.19205 0.01148 0.05651 170 3S 0.24704 0.16702 -0.69675 -0.09139 -0.32220 171 3PX 0.01028 -0.05579 0.20246 -0.01824 0.62974 172 3PY -0.00165 0.07004 0.02850 0.04943 0.17718 173 3PZ -0.24649 -0.10989 0.59144 -0.08279 -0.41538 174 4XX 0.00039 0.00046 0.00771 -0.00291 0.02163 175 4YY -0.01319 -0.00453 0.02822 0.01857 -0.00031 176 4ZZ 0.00809 0.01830 -0.02583 0.00582 -0.02253 177 4XY -0.00701 -0.00408 0.01826 -0.02060 -0.00593 178 4XZ 0.00032 0.01212 -0.01351 0.03599 -0.01233 179 4YZ 0.02068 -0.00402 -0.02343 0.02889 -0.01432 180 19 H 1S 0.05191 0.03694 -0.13366 -0.07619 0.01862 181 2S 0.10460 0.01662 -0.14102 0.09818 0.25630 182 20 C 1S 0.00387 -0.00932 -0.00263 -0.01304 0.00128 183 2S -0.12797 -0.11211 0.21775 0.18203 0.13049 184 2PX 0.12947 0.14784 -0.36032 0.09053 -0.05862 185 2PY 0.08090 0.10359 -0.17269 -0.28139 0.00904 186 2PZ 0.19735 -0.08534 -0.35491 -0.09022 0.29452 187 3S 0.11051 0.42831 -0.12404 -0.40594 -0.04655 188 3PX -0.27614 -0.21593 0.45210 0.19570 0.07826 189 3PY -0.07509 -0.45259 0.05879 0.58239 0.05729 190 3PZ -0.38429 0.04849 0.98635 0.01842 -0.46435 191 4XX 0.01497 0.00206 -0.02591 -0.00460 -0.00803 192 4YY -0.01014 -0.01986 -0.00189 -0.02561 0.01168 193 4ZZ -0.02513 0.00085 0.07034 0.01694 0.01129 194 4XY 0.00882 -0.00866 -0.02898 0.04707 0.01256 195 4XZ -0.00693 0.00223 0.00926 0.00771 0.00176 196 4YZ 0.01351 0.00410 -0.00478 -0.02206 0.02157 197 21 H 1S -0.04169 -0.02315 0.01610 -0.02479 -0.06049 198 2S -0.03825 0.19090 0.23815 -0.09688 -0.03819 199 22 C 1S 0.00719 -0.00725 -0.00547 -0.00230 0.01877 200 2S -0.11409 -0.00390 0.19648 0.17207 -0.10346 201 2PX -0.03889 0.03112 -0.12785 0.03439 0.38584 202 2PY -0.02613 0.05606 0.00686 -0.01136 0.01071 203 2PZ 0.09202 -0.04075 -0.19205 0.01147 -0.05651 204 3S 0.24708 -0.16701 -0.69673 -0.09144 0.32218 205 3PX 0.01029 0.05579 0.20245 -0.01819 -0.62972 206 3PY 0.00163 0.07004 -0.02849 -0.04943 0.17716 207 3PZ -0.24651 0.10988 0.59144 -0.08280 0.41536 208 4XX 0.00039 -0.00046 0.00771 -0.00291 -0.02163 209 4YY -0.01319 0.00453 0.02822 0.01857 0.00031 210 4ZZ 0.00809 -0.01830 -0.02583 0.00582 0.02253 211 4XY 0.00701 -0.00408 -0.01826 0.02060 -0.00592 212 4XZ 0.00032 -0.01212 -0.01351 0.03599 0.01233 213 4YZ -0.02068 -0.00402 0.02343 -0.02889 -0.01432 214 23 H 1S 0.05191 -0.03694 -0.13366 -0.07618 -0.01863 215 2S 0.10461 -0.01662 -0.14103 0.09818 -0.25628 96 97 98 99 100 V V V V V Eigenvalues -- 0.74567 0.75002 0.76838 0.79224 0.80418 1 1 C 1S -0.01508 -0.00986 -0.01680 -0.00365 -0.00789 2 2S -0.01944 0.06917 0.05232 -0.05186 0.19773 3 2PX -0.12814 0.08914 -0.08168 -0.36249 -0.03852 4 2PY -0.04233 -0.54480 -0.03431 0.07001 0.15929 5 2PZ 0.11733 -0.16725 -0.11398 -0.04206 0.13457 6 3S 0.15174 -1.86245 1.43287 -0.12052 -0.29837 7 3PX 0.08255 -0.23419 0.85988 1.41177 -0.02572 8 3PY 0.13243 2.24839 -0.58025 0.27854 -0.48362 9 3PZ -0.12216 0.03453 0.93769 0.14222 -0.05723 10 4XX -0.01972 0.03084 0.00393 0.00250 -0.01865 11 4YY 0.00828 -0.09112 0.00475 0.01147 -0.01501 12 4ZZ -0.00607 0.01527 0.01732 -0.01005 0.04134 13 4XY 0.03212 0.00037 0.00746 0.01229 -0.03592 14 4XZ -0.03386 -0.01592 0.02984 -0.02270 0.04516 15 4YZ 0.01488 0.00067 -0.00537 0.00853 -0.02584 16 2 C 1S -0.01508 0.00986 0.01680 0.00365 -0.00789 17 2S -0.01943 -0.06917 -0.05232 0.05187 0.19773 18 2PX -0.12813 -0.08913 0.08167 0.36250 -0.03852 19 2PY 0.04230 -0.54480 -0.03431 0.07001 -0.15928 20 2PZ 0.11732 0.16725 0.11398 0.04205 0.13458 21 3S 0.15190 1.86246 -1.43288 0.12050 -0.29838 22 3PX 0.08257 0.23418 -0.85988 -1.41179 -0.02576 23 3PY -0.13226 2.24838 -0.58024 0.27854 0.48360 24 3PZ -0.12209 -0.03453 -0.93768 -0.14222 -0.05726 25 4XX -0.01972 -0.03084 -0.00393 -0.00250 -0.01865 26 4YY 0.00829 0.09112 -0.00475 -0.01147 -0.01501 27 4ZZ -0.00607 -0.01527 -0.01732 0.01005 0.04134 28 4XY -0.03212 0.00037 0.00746 0.01229 0.03592 29 4XZ -0.03386 0.01593 -0.02984 0.02270 0.04516 30 4YZ -0.01488 0.00067 -0.00538 0.00853 0.02584 31 3 C 1S 0.00279 0.02587 -0.02361 0.02093 0.01980 32 2S 0.14679 0.00503 -0.35869 -0.10688 0.02496 33 2PX 0.15792 -0.02236 -0.24253 -0.16260 0.03933 34 2PY 0.15910 0.15857 -0.15005 -0.01921 -0.14391 35 2PZ 0.10366 0.06796 0.24182 0.13381 -0.05099 36 3S -0.74690 0.52895 1.12650 1.75994 1.20859 37 3PX -0.55342 0.02368 0.11933 0.49663 0.12906 38 3PY -0.06779 -1.19304 1.78535 -0.42866 -0.77282 39 3PZ -0.22189 -0.30420 -0.53710 -0.45970 0.11128 40 4XX 0.00069 0.01311 -0.00123 -0.00075 -0.00991 41 4YY -0.01765 0.04681 -0.09094 0.09724 0.14340 42 4ZZ 0.02048 -0.00252 -0.00541 -0.02293 -0.04092 43 4XY -0.00316 -0.00866 0.01424 -0.02363 -0.03312 44 4XZ 0.01010 0.03344 -0.01696 0.03632 0.01152 45 4YZ 0.00720 0.01101 -0.02803 -0.00015 0.01770 46 4 C 1S 0.00607 0.00376 -0.00158 0.02010 0.00081 47 2S 0.00894 0.10278 -0.16086 0.00024 0.24594 48 2PX -0.22325 0.08716 0.00590 -0.05905 0.07700 49 2PY 0.08200 -0.12456 0.22992 -0.40578 -0.19179 50 2PZ 0.12596 -0.11287 -0.12085 -0.13628 0.03568 51 3S 0.52072 0.91600 -1.43040 0.74080 -0.85169 52 3PX 0.19520 -0.42689 0.38972 -0.06506 -0.21166 53 3PY -0.30897 0.90292 -1.47554 1.39503 0.74116 54 3PZ -0.30525 0.03588 0.97402 0.46329 -0.16955 55 4XX 0.02233 -0.00482 -0.01260 -0.02599 0.01459 56 4YY 0.00866 0.03296 -0.05918 0.07510 -0.00752 57 4ZZ -0.02295 0.01811 -0.01318 -0.01162 0.02943 58 4XY 0.00326 -0.00041 0.00400 -0.00970 -0.02275 59 4XZ 0.03147 0.02150 -0.04258 0.01111 0.02643 60 4YZ 0.02893 -0.00198 0.00012 -0.00796 -0.02587 61 5 C 1S 0.00607 -0.00376 0.00158 -0.02010 0.00081 62 2S 0.00892 -0.10279 0.16086 -0.00024 0.24594 63 2PX -0.22326 -0.08715 -0.00591 0.05906 0.07699 64 2PY -0.08201 -0.12456 0.22992 -0.40578 0.19179 65 2PZ 0.12597 0.11287 0.12085 0.13627 0.03568 66 3S 0.52058 -0.91602 1.43043 -0.74080 -0.85167 67 3PX 0.19528 0.42687 -0.38970 0.06505 -0.21166 68 3PY 0.30910 0.90291 -1.47553 1.39504 -0.74116 69 3PZ -0.30524 -0.03586 -0.97403 -0.46328 -0.16957 70 4XX 0.02233 0.00482 0.01260 0.02599 0.01459 71 4YY 0.00865 -0.03296 0.05918 -0.07510 -0.00752 72 4ZZ -0.02296 -0.01810 0.01318 0.01162 0.02943 73 4XY -0.00326 -0.00041 0.00400 -0.00970 0.02275 74 4XZ 0.03147 -0.02151 0.04259 -0.01111 0.02643 75 4YZ -0.02893 -0.00197 0.00012 -0.00796 0.02587 76 6 C 1S 0.00279 -0.02587 0.02361 -0.02093 0.01980 77 2S 0.14677 -0.00504 0.35870 0.10688 0.02496 78 2PX 0.15792 0.02235 0.24254 0.16260 0.03933 79 2PY -0.15908 0.15858 -0.15005 -0.01921 0.14391 80 2PZ 0.10366 -0.06797 -0.24182 -0.13381 -0.05099 81 3S -0.74689 -0.52892 -1.12652 -1.75993 1.20856 82 3PX -0.55344 -0.02363 -0.11937 -0.49661 0.12904 83 3PY 0.06761 -1.19306 1.78537 -0.42867 0.77284 84 3PZ -0.22187 0.30423 0.53708 0.45969 0.11128 85 4XX 0.00069 -0.01311 0.00123 0.00075 -0.00991 86 4YY -0.01766 -0.04681 0.09094 -0.09724 0.14340 87 4ZZ 0.02048 0.00252 0.00541 0.02293 -0.04092 88 4XY 0.00316 -0.00866 0.01424 -0.02363 0.03311 89 4XZ 0.01010 -0.03344 0.01696 -0.03632 0.01152 90 4YZ -0.00720 0.01101 -0.02803 -0.00015 -0.01770 91 7 H 1S -0.13716 -0.05209 0.05934 -0.10623 0.17320 92 2S 0.04417 -0.35457 0.50493 0.35578 -0.06874 93 8 H 1S -0.13715 0.05210 -0.05935 0.10623 0.17321 94 2S 0.04422 0.35455 -0.50491 -0.35576 -0.06877 95 9 H 1S 0.07453 0.04060 -0.04805 0.10970 0.15290 96 2S -0.10812 0.23839 -0.64058 0.14872 0.35244 97 10 H 1S 0.07453 -0.04061 0.04805 -0.10970 0.15290 98 2S -0.10817 -0.23839 0.64058 -0.14872 0.35244 99 11 O 1S -0.00822 0.00386 -0.01684 0.01157 0.02384 100 2S 0.04825 0.07108 0.15117 -0.01874 -0.19517 101 2PX 0.01755 -0.04753 -0.08052 -0.03630 -0.02658 102 2PY -0.04018 0.12939 -0.19815 0.17469 0.32275 103 2PZ 0.07725 -0.03969 0.01664 0.13494 -0.00429 104 3S 0.14833 -0.77508 0.53595 -0.65115 -0.57021 105 3PX 0.06523 0.03974 -0.06237 0.02685 0.09479 106 3PY 0.20964 -0.23854 0.42498 -0.48598 -0.83584 107 3PZ -0.01292 0.02322 0.08772 -0.04750 -0.07158 108 4XX 0.00732 0.01343 0.03955 0.01341 -0.05418 109 4YY 0.01725 -0.02906 0.08305 -0.06889 -0.11784 110 4ZZ 0.01639 0.03074 0.04521 -0.01030 -0.05737 111 4XY 0.00969 0.01442 -0.01855 -0.00089 0.01322 112 4XZ 0.01483 -0.02641 -0.00144 -0.02225 -0.02711 113 4YZ 0.00351 -0.00096 0.02882 -0.00615 -0.01364 114 12 O 1S -0.00822 -0.00386 0.01684 -0.01157 0.02384 115 2S 0.04825 -0.07109 -0.15117 0.01874 -0.19517 116 2PX 0.01754 0.04753 0.08052 0.03629 -0.02658 117 2PY 0.04020 0.12939 -0.19815 0.17469 -0.32275 118 2PZ 0.07725 0.03968 -0.01663 -0.13493 -0.00429 119 3S 0.14842 0.77509 -0.53595 0.65115 -0.57022 120 3PX 0.06523 -0.03975 0.06237 -0.02684 0.09478 121 3PY -0.20968 -0.23854 0.42498 -0.48598 0.83584 122 3PZ -0.01292 -0.02322 -0.08772 0.04750 -0.07158 123 4XX 0.00732 -0.01344 -0.03955 -0.01341 -0.05418 124 4YY 0.01726 0.02906 -0.08305 0.06889 -0.11784 125 4ZZ 0.01639 -0.03074 -0.04521 0.01030 -0.05737 126 4XY -0.00969 0.01443 -0.01855 -0.00089 -0.01322 127 4XZ 0.01483 0.02641 0.00144 0.02225 -0.02711 128 4YZ -0.00351 -0.00096 0.02882 -0.00616 0.01364 129 13 C 1S -0.01861 0.00000 0.00000 0.00000 -0.00943 130 2S 0.13014 0.00000 0.00000 0.00000 0.08419 131 2PX -0.04200 0.00000 0.00000 0.00000 0.14480 132 2PY 0.00001 0.36245 0.02815 -0.26271 0.00000 133 2PZ 0.13079 0.00000 0.00000 0.00000 -0.23173 134 3S -0.37823 0.00001 -0.00002 0.00002 0.09963 135 3PX 0.34016 0.00000 -0.00001 -0.00001 -0.15484 136 3PY -0.00003 -1.31889 -0.14943 0.49539 -0.00002 137 3PZ -0.34819 0.00002 -0.00002 -0.00002 0.84354 138 4XX -0.03472 0.00000 0.00000 0.00000 -0.01956 139 4YY 0.01732 0.00000 0.00000 0.00000 0.05040 140 4ZZ 0.00326 0.00000 0.00000 0.00000 -0.02097 141 4XY 0.00000 -0.05318 -0.03406 -0.03140 0.00000 142 4XZ -0.02417 0.00000 0.00000 0.00000 -0.00557 143 4YZ 0.00000 -0.01550 -0.00239 -0.00756 0.00000 144 14 H 1S 0.12449 0.00000 0.00000 0.00000 -0.06225 145 2S -0.13569 0.00001 -0.00001 -0.00002 0.60717 146 15 H 1S -0.15034 0.00001 -0.00001 0.00000 -0.06520 147 2S 0.29955 0.00000 0.00000 0.00000 -0.19442 148 16 C 1S 0.00839 0.00969 -0.00438 0.01902 -0.00286 149 2S -0.24096 0.21585 0.03525 0.00613 0.09902 150 2PX 0.30618 -0.12352 -0.15309 0.06541 0.21217 151 2PY -0.08601 0.27197 0.11829 0.08081 0.10320 152 2PZ -0.34410 -0.02772 0.18455 -0.02181 -0.08087 153 3S 0.91307 -0.52003 -0.56491 -0.88931 0.01771 154 3PX -0.54531 0.66130 0.25155 -0.56538 -0.08727 155 3PY 0.18697 -0.80792 -0.31938 -0.85685 -0.35438 156 3PZ 0.81425 0.31589 -0.34261 -0.26077 0.02024 157 4XX -0.00243 -0.03548 -0.01346 -0.00653 -0.00176 158 4YY -0.03515 0.05951 0.01414 0.00553 -0.02509 159 4ZZ 0.02963 -0.00394 -0.01773 0.00124 0.02856 160 4XY -0.01451 0.03579 -0.01306 -0.02610 -0.01500 161 4XZ 0.01088 0.00648 -0.03482 -0.01876 0.03211 162 4YZ 0.01042 0.03269 -0.02295 -0.04080 0.00710 163 17 H 1S -0.04803 0.19194 -0.03820 -0.03312 -0.03710 164 2S 0.03667 -0.47109 -0.10669 -0.39066 -0.13060 165 18 C 1S -0.01369 0.00893 -0.00710 -0.02270 0.00911 166 2S 0.17334 0.17361 -0.04198 0.14400 0.22704 167 2PX -0.35892 0.00986 0.05089 -0.07872 -0.03830 168 2PY -0.15934 0.14820 0.28147 -0.03821 -0.00470 169 2PZ -0.11485 -0.04451 0.22636 0.30203 -0.11867 170 3S -0.86196 -0.72072 -0.01512 0.86726 -0.28766 171 3PX 0.62106 -0.07544 -0.12441 0.01346 0.11258 172 3PY 0.33917 -0.45646 -0.68973 0.75837 0.08725 173 3PZ 0.35689 0.43198 -0.51940 -1.66236 0.17109 174 4XX 0.03676 -0.00028 0.01049 0.02081 -0.00557 175 4YY 0.01095 -0.02199 -0.04348 0.01789 0.02157 176 4ZZ -0.04377 0.04228 0.01491 0.00591 0.02167 177 4XY -0.02785 -0.00661 0.00705 0.00149 -0.03029 178 4XZ -0.00243 0.01332 0.02124 0.01385 0.02354 179 4YZ -0.01133 -0.02184 0.00746 0.00778 0.00552 180 19 H 1S -0.07365 0.03862 -0.10842 -0.10356 0.06256 181 2S 0.03189 -0.33478 0.02508 0.97254 -0.06909 182 20 C 1S 0.00839 -0.00970 0.00439 -0.01902 -0.00286 183 2S -0.24098 -0.21583 -0.03526 -0.00613 0.09902 184 2PX 0.30618 0.12350 0.15309 -0.06541 0.21217 185 2PY 0.08602 0.27196 0.11831 0.08080 -0.10319 186 2PZ -0.34411 0.02775 -0.18457 0.02181 -0.08086 187 3S 0.91310 0.51995 0.56496 0.88931 0.01773 188 3PX -0.54535 -0.66127 -0.25156 0.56540 -0.08729 189 3PY -0.18702 -0.80790 -0.31942 -0.85683 0.35435 190 3PZ 0.81425 -0.31595 0.34266 0.26077 0.02021 191 4XX -0.00243 0.03548 0.01347 0.00653 -0.00176 192 4YY -0.03515 -0.05951 -0.01414 -0.00553 -0.02509 193 4ZZ 0.02963 0.00394 0.01773 -0.00124 0.02856 194 4XY 0.01452 0.03579 -0.01306 -0.02610 0.01500 195 4XZ 0.01088 -0.00648 0.03482 0.01876 0.03211 196 4YZ -0.01042 0.03269 -0.02295 -0.04080 -0.00710 197 21 H 1S -0.04804 -0.19194 0.03820 0.03313 -0.03710 198 2S 0.03670 0.47110 0.10671 0.39064 -0.13059 199 22 C 1S -0.01369 -0.00893 0.00710 0.02270 0.00911 200 2S 0.17334 -0.17361 0.04198 -0.14401 0.22704 201 2PX -0.35894 -0.00983 -0.05090 0.07872 -0.03831 202 2PY 0.15934 0.14819 0.28147 -0.03820 0.00469 203 2PZ -0.11484 0.04452 -0.22637 -0.30201 -0.11867 204 3S -0.86194 0.72078 0.01508 -0.86727 -0.28770 205 3PX 0.62109 0.07540 0.12444 -0.01347 0.11260 206 3PY -0.33918 -0.45643 -0.68975 0.75835 -0.08718 207 3PZ 0.35684 -0.43200 0.51942 1.66232 0.17111 208 4XX 0.03676 0.00028 -0.01048 -0.02081 -0.00557 209 4YY 0.01095 0.02199 0.04348 -0.01789 0.02157 210 4ZZ -0.04378 -0.04227 -0.01491 -0.00591 0.02167 211 4XY 0.02785 -0.00661 0.00705 0.00149 0.03029 212 4XZ -0.00243 -0.01332 -0.02124 -0.01385 0.02354 213 4YZ 0.01132 -0.02185 0.00746 0.00778 -0.00552 214 23 H 1S -0.07366 -0.03862 0.10842 0.10355 0.06256 215 2S 0.03192 0.33478 -0.02509 -0.97251 -0.06912 101 102 103 104 105 V V V V V Eigenvalues -- 0.81543 0.82130 0.82604 0.82684 0.83928 1 1 C 1S 0.00177 -0.00334 -0.00457 -0.01381 0.02357 2 2S 0.03172 0.07424 0.29130 0.01995 -0.00826 3 2PX 0.16192 -0.08013 0.13838 0.08189 0.21741 4 2PY 0.06279 0.23754 0.10290 -0.28640 -0.12543 5 2PZ 0.02235 -0.19394 -0.01332 0.03012 0.26997 6 3S -0.33328 0.35999 -1.14881 -0.17729 -1.24863 7 3PX -0.31824 0.58907 -0.61751 -0.17896 -1.10780 8 3PY -0.29314 -0.59000 -0.56840 0.83879 0.90191 9 3PZ -0.01183 0.68310 -0.09351 0.11091 -1.24176 10 4XX -0.00046 0.01797 -0.04491 0.01195 -0.01475 11 4YY -0.00922 0.03164 0.02128 -0.03841 -0.03056 12 4ZZ 0.01220 -0.02255 0.03560 0.00120 0.01517 13 4XY -0.00878 0.00612 -0.02487 -0.00316 -0.01343 14 4XZ 0.00749 -0.00670 -0.00116 0.01012 0.01833 15 4YZ 0.00757 0.00226 0.04778 -0.00576 -0.01384 16 2 C 1S 0.00177 0.00335 -0.00456 0.01382 -0.02357 17 2S 0.03172 -0.07428 0.29128 -0.02008 0.00826 18 2PX 0.16190 0.08012 0.13834 -0.08195 -0.21741 19 2PY -0.06282 0.23755 -0.10301 -0.28635 -0.12544 20 2PZ 0.02233 0.19394 -0.01332 -0.03012 -0.26997 21 3S -0.33321 -0.35988 -1.14873 0.17782 1.24865 22 3PX -0.31815 -0.58901 -0.61746 0.17924 1.10779 23 3PY 0.29323 -0.59006 0.56872 0.83854 0.90191 24 3PZ -0.01175 -0.68309 -0.09358 -0.11086 1.24176 25 4XX -0.00045 -0.01797 -0.04492 -0.01193 0.01475 26 4YY -0.00922 -0.03164 0.02130 0.03840 0.03056 27 4ZZ 0.01220 0.02254 0.03560 -0.00121 -0.01517 28 4XY 0.00878 0.00611 0.02487 -0.00317 -0.01343 29 4XZ 0.00749 0.00670 -0.00116 -0.01012 -0.01833 30 4YZ -0.00757 0.00227 -0.04778 -0.00574 -0.01384 31 3 C 1S 0.00753 -0.00959 -0.00550 -0.00003 0.00115 32 2S -0.00739 -0.04890 -0.17063 0.04454 0.23486 33 2PX -0.05774 -0.02539 -0.10920 -0.02787 0.09566 34 2PY -0.02265 -0.03950 0.04054 -0.00470 0.07823 35 2PZ 0.11434 0.03454 0.19828 0.00443 -0.03151 36 3S 0.51046 0.00554 0.77506 0.32236 -1.84781 37 3PX 0.04970 -0.09081 -0.15891 -0.13978 -0.15316 38 3PY -0.09270 0.55597 0.33704 0.13165 -0.92616 39 3PZ -0.31810 -0.25009 -0.80586 -0.08597 0.00054 40 4XX 0.01076 0.02515 0.05149 0.00262 0.00685 41 4YY 0.02556 -0.03066 -0.03961 0.01088 -0.05574 42 4ZZ -0.01272 -0.01796 -0.03623 0.00128 0.03172 43 4XY -0.00764 -0.00326 -0.00770 -0.00141 0.02168 44 4XZ 0.02387 -0.01113 0.01515 0.00704 -0.00370 45 4YZ 0.00032 -0.01744 -0.01610 0.01396 0.00719 46 4 C 1S 0.00138 -0.01211 0.00434 0.00340 -0.00947 47 2S 0.19203 0.00762 -0.11633 0.00062 0.12817 48 2PX -0.03770 0.10412 -0.08754 -0.08638 0.11912 49 2PY -0.04320 0.07662 0.12403 0.11526 -0.04860 50 2PZ -0.00477 0.02779 -0.12377 -0.05439 0.17594 51 3S -0.27498 -0.39559 0.54622 -0.38902 0.67668 52 3PX -0.02540 -0.27383 0.09741 0.38440 -0.67685 53 3PY 0.12011 -0.48827 -0.40419 -0.56667 0.33057 54 3PZ 0.00527 -0.02261 0.27221 0.33144 -0.98704 55 4XX -0.00301 -0.01159 -0.03577 0.00579 0.01749 56 4YY 0.01522 -0.01276 0.00085 -0.02544 0.01981 57 4ZZ 0.01178 0.01005 0.01121 0.00538 0.00863 58 4XY -0.01081 0.00468 -0.03228 -0.00111 0.00981 59 4XZ 0.01182 -0.02318 -0.00768 0.00714 0.01267 60 4YZ 0.00958 0.00718 0.00337 -0.00344 0.01325 61 5 C 1S 0.00138 0.01211 0.00434 -0.00340 0.00947 62 2S 0.19203 -0.00760 -0.11633 -0.00057 -0.12817 63 2PX -0.03770 -0.10412 -0.08752 0.08642 -0.11912 64 2PY 0.04321 0.07663 -0.12397 0.11532 -0.04860 65 2PZ -0.00477 -0.02779 -0.12375 0.05444 -0.17594 66 3S -0.27499 0.39554 0.54644 0.38877 -0.67668 67 3PX -0.02540 0.27384 0.09729 -0.38444 0.67684 68 3PY -0.12014 -0.48830 0.40388 -0.56686 0.33058 69 3PZ 0.00529 0.02259 0.27208 -0.33157 0.98703 70 4XX -0.00301 0.01160 -0.03577 -0.00577 -0.01749 71 4YY 0.01522 0.01276 0.00086 0.02544 -0.01981 72 4ZZ 0.01178 -0.01005 0.01121 -0.00538 -0.00863 73 4XY 0.01081 0.00468 0.03228 -0.00113 0.00981 74 4XZ 0.01182 0.02318 -0.00768 -0.00713 -0.01267 75 4YZ -0.00958 0.00718 -0.00338 -0.00344 0.01325 76 6 C 1S 0.00753 0.00959 -0.00550 0.00003 -0.00115 77 2S -0.00740 0.04891 -0.17066 -0.04447 -0.23485 78 2PX -0.05775 0.02540 -0.10918 0.02792 -0.09566 79 2PY 0.02265 -0.03949 -0.04054 -0.00469 0.07824 80 2PZ 0.11434 -0.03455 0.19828 -0.00452 0.03150 81 3S 0.51054 -0.00561 0.77499 -0.32272 1.84778 82 3PX 0.04971 0.09082 -0.15885 0.13984 0.15318 83 3PY 0.09265 0.55599 -0.33694 0.13182 -0.92617 84 3PZ -0.31811 0.25015 -0.80580 0.08634 -0.00053 85 4XX 0.01076 -0.02516 0.05148 -0.00264 -0.00685 86 4YY 0.02556 0.03066 -0.03961 -0.01087 0.05574 87 4ZZ -0.01272 0.01797 -0.03623 -0.00126 -0.03172 88 4XY 0.00764 -0.00326 0.00770 -0.00141 0.02168 89 4XZ 0.02387 0.01113 0.01515 -0.00705 0.00370 90 4YZ -0.00031 -0.01744 0.01611 0.01395 0.00719 91 7 H 1S 0.00325 -0.16102 -0.06324 0.02655 0.20695 92 2S 0.06140 0.64905 0.22147 -0.24700 -0.97033 93 8 H 1S 0.00323 0.16102 -0.06324 -0.02652 -0.20695 94 2S 0.06148 -0.64906 0.22154 0.24690 0.97031 95 9 H 1S 0.03885 -0.11519 0.10353 0.03875 -0.10078 96 2S 0.09060 0.11108 -0.40814 -0.41898 0.64474 97 10 H 1S 0.03885 0.11518 0.10353 -0.03879 0.10078 98 2S 0.09061 -0.11105 -0.40798 0.41917 -0.64474 99 11 O 1S 0.00301 -0.00405 -0.00541 -0.00153 0.00001 100 2S -0.01617 -0.01327 0.12700 0.00796 0.07329 101 2PX -0.05073 0.04352 -0.10991 -0.01649 -0.01134 102 2PY 0.05263 -0.09668 -0.09522 0.03954 -0.08213 103 2PZ 0.05926 -0.02943 0.07524 -0.05999 -0.02697 104 3S -0.15846 0.31769 -0.12659 0.01552 -0.18019 105 3PX 0.05101 -0.06409 0.06382 0.00358 0.04576 106 3PY -0.14905 0.19031 0.17944 -0.06205 0.19330 107 3PZ -0.01856 0.08235 0.04205 0.04223 0.02480 108 4XX 0.00080 0.00536 0.05057 -0.00603 0.01061 109 4YY -0.02370 0.01586 0.03660 -0.00228 0.05558 110 4ZZ -0.00929 -0.00748 0.03236 -0.00201 0.02289 111 4XY -0.00016 -0.00691 0.01067 0.00776 -0.00298 112 4XZ -0.00940 0.00506 -0.01191 -0.00512 0.00589 113 4YZ 0.00508 0.00589 0.02153 0.00532 -0.00076 114 12 O 1S 0.00301 0.00405 -0.00541 0.00153 -0.00001 115 2S -0.01617 0.01326 0.12699 -0.00802 -0.07329 116 2PX -0.05072 -0.04351 -0.10990 0.01654 0.01134 117 2PY -0.05263 -0.09668 0.09522 0.03950 -0.08214 118 2PZ 0.05927 0.02942 0.07528 0.05996 0.02697 119 3S -0.15845 -0.31768 -0.12663 -0.01547 0.18021 120 3PX 0.05101 0.06407 0.06383 -0.00360 -0.04577 121 3PY 0.14905 0.19032 -0.17944 -0.06198 0.19330 122 3PZ -0.01856 -0.08235 0.04202 -0.04225 -0.02480 123 4XX 0.00080 -0.00537 0.05057 0.00601 -0.01061 124 4YY -0.02370 -0.01587 0.03660 0.00226 -0.05558 125 4ZZ -0.00929 0.00748 0.03236 0.00199 -0.02289 126 4XY 0.00016 -0.00691 -0.01067 0.00776 -0.00298 127 4XZ -0.00940 -0.00506 -0.01191 0.00512 -0.00589 128 4YZ -0.00508 0.00589 -0.02153 0.00533 -0.00076 129 13 C 1S 0.01585 0.00000 -0.00897 0.00000 0.00000 130 2S -0.08624 0.00000 -0.01276 0.00000 0.00000 131 2PX -0.19791 -0.00004 0.56667 -0.00013 0.00000 132 2PY 0.00000 0.21507 0.00005 0.14871 -0.20090 133 2PZ 0.36040 0.00005 -0.62328 0.00014 0.00000 134 3S 1.26243 -0.00002 0.79570 -0.00019 -0.00002 135 3PX 0.51579 0.00010 -1.40228 0.00032 0.00000 136 3PY 0.00004 -1.55338 -0.00024 -0.58989 0.84960 137 3PZ -0.73752 -0.00014 1.41477 -0.00032 0.00000 138 4XX -0.04126 0.00000 0.04097 -0.00001 0.00000 139 4YY 0.00079 0.00000 0.03416 -0.00001 0.00000 140 4ZZ 0.07543 0.00001 -0.05597 0.00001 0.00000 141 4XY 0.00000 -0.03777 0.00000 -0.01017 0.00161 142 4XZ 0.06742 0.00000 0.03829 -0.00001 0.00000 143 4YZ 0.00000 -0.06462 -0.00001 -0.00982 -0.02501 144 14 H 1S 0.14261 0.00003 -0.37636 0.00008 0.00000 145 2S -1.00088 -0.00011 0.98633 -0.00022 0.00000 146 15 H 1S -0.30120 -0.00001 -0.00335 0.00001 0.00000 147 2S 0.59423 0.00010 -1.19990 0.00027 0.00000 148 16 C 1S 0.02077 0.02246 0.00324 -0.03723 0.00766 149 2S -0.00141 -0.08336 -0.09026 0.28498 -0.08458 150 2PX -0.04772 -0.11173 0.01998 -0.20058 0.17194 151 2PY 0.30533 0.38235 0.19292 -0.35827 0.32077 152 2PZ 0.04044 -0.27418 -0.05986 -0.10621 0.23628 153 3S -0.62113 -0.24489 0.03389 -1.02040 -0.96912 154 3PX 0.01027 0.68734 0.30065 0.70747 -0.69550 155 3PY -1.33591 -1.63426 -0.62449 0.85033 -1.33623 156 3PZ -0.14931 1.19009 -0.03190 0.41722 -1.56773 157 4XX 0.00491 -0.02080 -0.00833 0.03935 0.01267 158 4YY 0.02437 0.00801 -0.00053 -0.06445 0.02953 159 4ZZ -0.03328 0.00285 -0.00765 0.03588 -0.07931 160 4XY -0.01638 0.00645 -0.00305 -0.01951 0.00035 161 4XZ -0.00252 0.00245 0.00133 0.00363 -0.01122 162 4YZ 0.00075 0.00934 -0.01333 -0.05105 -0.04221 163 17 H 1S 0.16799 0.19303 0.03885 -0.28771 0.18826 164 2S -0.80793 -0.77678 -0.35854 1.21623 -1.07297 165 18 C 1S -0.03244 -0.00640 0.00112 -0.01973 -0.00187 166 2S 0.16502 0.00262 -0.06718 0.11636 -0.02259 167 2PX 0.06462 0.14318 -0.03377 0.16456 0.15036 168 2PY -0.33465 -0.52957 -0.03510 -0.32502 -0.10626 169 2PZ 0.41612 -0.02290 0.07536 0.33735 0.47079 170 3S -0.46062 1.24728 -0.01869 0.17302 1.60744 171 3PX -0.38129 -0.44914 0.01979 -0.61482 -0.76230 172 3PY 0.99928 2.64838 0.20578 1.32720 0.42919 173 3PZ -1.34934 -0.09909 -0.19863 -0.95134 -2.53014 174 4XX 0.03893 -0.01247 0.02617 0.01217 -0.00668 175 4YY -0.01922 0.08628 -0.01529 0.05866 0.01902 176 4ZZ 0.00683 -0.03621 -0.01265 -0.03312 0.04821 177 4XY 0.01974 -0.00510 -0.03078 0.01066 0.00222 178 4XZ -0.01599 -0.01096 0.01914 -0.01935 0.00191 179 4YZ 0.07516 -0.01989 -0.00260 0.03982 0.00499 180 19 H 1S -0.28240 -0.10073 0.01730 -0.27279 -0.11968 181 2S 1.46531 0.88807 0.13043 1.25839 1.22610 182 20 C 1S 0.02077 -0.02246 0.00326 0.03723 -0.00766 183 2S -0.00142 0.08337 -0.09039 -0.28494 0.08459 184 2PX -0.04773 0.11172 0.02009 0.20056 -0.17194 185 2PY -0.30535 0.38236 -0.19304 -0.35818 0.32078 186 2PZ 0.04042 0.27419 -0.05978 0.10624 -0.23628 187 3S -0.62114 0.24488 0.03439 1.02038 0.96912 188 3PX 0.01030 -0.68738 0.30023 -0.70760 0.69550 189 3PY 1.33600 -1.63430 0.62468 0.85003 -1.33626 190 3PZ -0.14923 -1.19006 -0.03223 -0.41722 1.56774 191 4XX 0.00491 0.02080 -0.00834 -0.03934 -0.01267 192 4YY 0.02437 -0.00801 -0.00051 0.06445 -0.02953 193 4ZZ -0.03328 -0.00285 -0.00767 -0.03588 0.07931 194 4XY 0.01638 0.00645 0.00304 -0.01951 0.00035 195 4XZ -0.00252 -0.00245 0.00133 -0.00363 0.01122 196 4YZ -0.00075 0.00934 0.01330 -0.05106 -0.04220 197 21 H 1S 0.16800 -0.19303 0.03896 0.28769 -0.18827 198 2S -0.80797 0.77679 -0.35900 -1.21606 1.07300 199 22 C 1S -0.03244 0.00640 0.00113 0.01973 0.00187 200 2S 0.16502 -0.00260 -0.06723 -0.11634 0.02258 201 2PX 0.06462 -0.14317 -0.03386 -0.16455 -0.15036 202 2PY 0.33467 -0.52955 0.03489 -0.32504 -0.10628 203 2PZ 0.41612 0.02292 0.07521 -0.33739 -0.47080 204 3S -0.46056 -1.24732 -0.01891 -0.17298 -1.60742 205 3PX -0.38130 0.44913 0.02013 0.61482 0.76231 206 3PY -0.99943 2.64835 -0.20487 1.32731 0.42923 207 3PZ -1.34934 0.09904 -0.19820 0.95145 2.53017 208 4XX 0.03893 0.01247 0.02616 -0.01218 0.00668 209 4YY -0.01922 -0.08628 -0.01533 -0.05865 -0.01902 210 4ZZ 0.00683 0.03621 -0.01263 0.03312 -0.04821 211 4XY -0.01974 -0.00511 0.03078 0.01064 0.00222 212 4XZ -0.01599 0.01096 0.01915 0.01935 -0.00191 213 4YZ -0.07515 -0.01989 0.00261 0.03982 0.00500 214 23 H 1S -0.28240 0.10071 0.01744 0.27278 0.11968 215 2S 1.46535 -0.88800 0.12977 -1.25848 -1.22614 106 107 108 109 110 V V V V V Eigenvalues -- 0.84247 0.86571 0.87300 0.88291 0.89339 1 1 C 1S -0.01352 0.00880 0.00942 0.01176 -0.00026 2 2S 0.07524 -0.39881 -0.25190 0.07543 -0.27483 3 2PX -0.01103 0.19039 -0.12633 0.28963 0.11409 4 2PY 0.06832 -0.16665 -0.21442 -0.03151 -0.13469 5 2PZ -0.15185 0.26788 0.55889 0.14036 0.24760 6 3S -0.28948 0.75455 0.03314 -0.62298 0.44754 7 3PX -0.08177 -0.51106 0.17461 -0.65188 -0.27959 8 3PY -0.55875 0.31607 1.04491 -0.14914 0.17739 9 3PZ 0.37272 -0.62076 -1.78757 -0.44664 -0.46935 10 4XX 0.00076 -0.03332 -0.01203 0.00873 -0.02485 11 4YY 0.01379 -0.02711 -0.04136 0.00841 -0.02633 12 4ZZ -0.01297 0.00505 0.00340 -0.00332 -0.00418 13 4XY -0.00679 -0.04075 -0.00472 -0.04454 -0.02057 14 4XZ -0.02603 0.01814 0.01176 0.03581 0.00253 15 4YZ -0.00031 -0.03715 -0.02134 -0.00487 -0.05059 16 2 C 1S 0.01352 0.00879 -0.00942 0.01176 -0.00026 17 2S -0.07525 -0.39879 0.25192 0.07542 -0.27483 18 2PX 0.01103 0.19040 0.12633 0.28963 0.11409 19 2PY 0.06832 0.16664 -0.21443 0.03150 0.13469 20 2PZ 0.15184 0.26785 -0.55891 0.14037 0.24760 21 3S 0.28948 0.75455 -0.03316 -0.62294 0.44756 22 3PX 0.08178 -0.51105 -0.17459 -0.65188 -0.27960 23 3PY -0.55874 -0.31602 1.04491 0.14916 -0.17738 24 3PZ -0.37271 -0.62066 1.78761 -0.44666 -0.46936 25 4XX -0.00076 -0.03332 0.01203 0.00873 -0.02485 26 4YY -0.01379 -0.02711 0.04137 0.00841 -0.02633 27 4ZZ 0.01298 0.00505 -0.00340 -0.00332 -0.00418 28 4XY -0.00679 0.04075 -0.00473 0.04454 0.02057 29 4XZ 0.02602 0.01814 -0.01175 0.03581 0.00253 30 4YZ -0.00031 0.03715 -0.02134 0.00487 0.05059 31 3 C 1S -0.00297 -0.00108 -0.00236 -0.00558 -0.01131 32 2S 0.13084 -0.05285 -0.13734 -0.29265 -0.26619 33 2PX -0.10815 0.00072 -0.08662 0.07542 0.04239 34 2PY 0.06565 0.01447 0.01511 0.00559 0.09619 35 2PZ -0.00149 0.05788 0.04773 0.10107 -0.03554 36 3S -1.25613 0.05515 -0.13399 0.86217 0.83197 37 3PX 0.23004 -0.08546 0.42106 -0.37488 -0.09911 38 3PY -0.46809 0.03261 -0.38862 0.24667 0.25308 39 3PZ 0.07728 -0.18449 -0.42984 -0.48301 0.11062 40 4XX 0.02122 0.02364 0.03715 0.01558 -0.02557 41 4YY -0.07100 -0.03093 -0.07347 -0.01196 0.02397 42 4ZZ 0.02028 -0.00560 -0.00955 -0.03512 -0.02066 43 4XY -0.02354 0.00245 0.01258 -0.01951 -0.00518 44 4XZ 0.00094 0.00852 -0.00125 -0.00711 -0.02451 45 4YZ -0.03233 -0.00484 -0.01450 -0.03145 0.00472 46 4 C 1S -0.02608 -0.01354 -0.00004 -0.00430 0.00716 47 2S 0.16340 0.47467 -0.16339 -0.22990 -0.30419 48 2PX 0.40041 0.23149 0.09248 0.04857 -0.23750 49 2PY -0.36737 -0.21971 -0.18490 0.04038 0.17964 50 2PZ 0.41095 0.26827 -0.01768 -0.02799 -0.25035 51 3S 0.96577 -0.99591 0.98958 0.44125 0.57397 52 3PX -1.57347 -0.55270 -0.50332 -0.10741 0.51958 53 3PY 1.65584 0.46012 0.70587 -0.13024 -0.29842 54 3PZ -1.63071 -0.58969 -0.00915 0.00129 0.54503 55 4XX -0.00834 0.00032 -0.02961 -0.02409 -0.01707 56 4YY 0.08017 0.03910 0.02984 -0.02112 -0.02518 57 4ZZ -0.01393 0.01823 -0.01249 0.00629 -0.00661 58 4XY 0.01821 0.05383 -0.00337 -0.01476 -0.04044 59 4XZ -0.04228 -0.04093 -0.02357 -0.02648 0.03081 60 4YZ 0.02039 0.06809 0.00810 -0.00856 -0.06423 61 5 C 1S 0.02608 -0.01354 0.00004 -0.00430 0.00716 62 2S -0.16339 0.47468 0.16337 -0.22990 -0.30419 63 2PX -0.40041 0.23148 -0.09249 0.04857 -0.23750 64 2PY -0.36737 0.21970 -0.18491 -0.04039 -0.17964 65 2PZ -0.41094 0.26827 0.01767 -0.02800 -0.25035 66 3S -0.96578 -0.99595 -0.98956 0.44122 0.57394 67 3PX 1.57345 -0.55268 0.50334 -0.10742 0.51958 68 3PY 1.65585 -0.46010 0.70588 0.13029 0.29846 69 3PZ 1.63070 -0.58970 0.00918 0.00130 0.54503 70 4XX 0.00834 0.00032 0.02961 -0.02409 -0.01707 71 4YY -0.08017 0.03910 -0.02984 -0.02112 -0.02518 72 4ZZ 0.01393 0.01823 0.01249 0.00629 -0.00661 73 4XY 0.01821 -0.05384 -0.00336 0.01476 0.04044 74 4XZ 0.04228 -0.04093 0.02357 -0.02648 0.03081 75 4YZ 0.02039 -0.06809 0.00810 0.00856 0.06423 76 6 C 1S 0.00297 -0.00108 0.00236 -0.00558 -0.01131 77 2S -0.13084 -0.05284 0.13734 -0.29265 -0.26618 78 2PX 0.10815 0.00073 0.08662 0.07542 0.04239 79 2PY 0.06565 -0.01447 0.01511 -0.00559 -0.09619 80 2PZ 0.00149 0.05788 -0.04774 0.10107 -0.03554 81 3S 1.25613 0.05517 0.13398 0.86214 0.83194 82 3PX -0.23003 -0.08549 -0.42104 -0.37488 -0.09911 83 3PY -0.46808 -0.03263 -0.38862 -0.24668 -0.25309 84 3PZ -0.07728 -0.18447 0.42988 -0.48303 0.11063 85 4XX -0.02122 0.02363 -0.03716 0.01558 -0.02557 86 4YY 0.07100 -0.03093 0.07347 -0.01196 0.02397 87 4ZZ -0.02028 -0.00560 0.00956 -0.03512 -0.02066 88 4XY -0.02355 -0.00245 0.01258 0.01951 0.00518 89 4XZ -0.00094 0.00852 0.00125 -0.00711 -0.02451 90 4YZ -0.03233 0.00484 -0.01450 0.03145 -0.00472 91 7 H 1S -0.10439 0.18049 0.22643 0.04191 0.23709 92 2S 0.49534 -0.88663 -1.41350 -0.29104 -0.65969 93 8 H 1S 0.10439 0.18048 -0.22644 0.04191 0.23709 94 2S -0.49534 -0.88655 1.41354 -0.29105 -0.65969 95 9 H 1S -0.38440 -0.29926 -0.05095 0.08508 0.30416 96 2S 1.86119 1.18419 0.29338 -0.12006 -0.98446 97 10 H 1S 0.38440 -0.29925 0.05097 0.08508 0.30416 98 2S -1.86117 1.18419 -0.29343 -0.12008 -0.98447 99 11 O 1S -0.00619 -0.00238 -0.00194 -0.00204 -0.00307 100 2S 0.11050 0.05988 0.15748 -0.01404 -0.11002 101 2PX 0.01441 0.06606 -0.05666 0.02067 0.04437 102 2PY -0.09491 -0.06020 -0.08852 -0.00108 0.08340 103 2PZ 0.00984 0.01622 0.09551 0.02745 -0.02135 104 3S -0.08025 -0.05086 -0.38632 0.00696 0.17350 105 3PX -0.04721 -0.03156 -0.03667 -0.00069 -0.04365 106 3PY 0.26074 0.12864 0.16631 0.02649 -0.06346 107 3PZ 0.01248 0.05728 -0.02642 0.02772 0.00850 108 4XX 0.02701 0.02837 0.06296 0.00842 -0.02160 109 4YY 0.05881 0.02468 0.06190 -0.02007 -0.07206 110 4ZZ 0.02445 0.01118 0.02969 0.00035 -0.01765 111 4XY -0.01379 -0.01642 0.00520 0.01872 0.01433 112 4XZ 0.00113 0.00235 -0.01484 -0.01100 -0.00924 113 4YZ -0.00425 -0.01215 0.01002 0.01266 -0.00959 114 12 O 1S 0.00619 -0.00238 0.00194 -0.00204 -0.00307 115 2S -0.11049 0.05988 -0.15748 -0.01405 -0.11002 116 2PX -0.01441 0.06606 0.05666 0.02067 0.04437 117 2PY -0.09491 0.06020 -0.08852 0.00108 -0.08340 118 2PZ -0.00984 0.01622 -0.09551 0.02745 -0.02135 119 3S 0.08024 -0.05084 0.38632 0.00697 0.17352 120 3PX 0.04721 -0.03155 0.03667 -0.00069 -0.04365 121 3PY 0.26074 -0.12863 0.16632 -0.02649 0.06346 122 3PZ -0.01248 0.05728 0.02641 0.02772 0.00850 123 4XX -0.02701 0.02836 -0.06296 0.00842 -0.02160 124 4YY -0.05881 0.02467 -0.06190 -0.02007 -0.07206 125 4ZZ -0.02445 0.01118 -0.02970 0.00034 -0.01765 126 4XY -0.01379 0.01642 0.00520 -0.01872 -0.01433 127 4XZ -0.00113 0.00235 0.01484 -0.01100 -0.00924 128 4YZ -0.00425 0.01215 0.01002 -0.01266 0.00959 129 13 C 1S 0.00000 -0.00017 0.00000 -0.02413 0.01834 130 2S 0.00000 -0.41075 0.00001 0.13740 -0.64827 131 2PX 0.00000 0.31753 -0.00001 -0.29534 0.28335 132 2PY 0.09640 0.00000 -0.00306 0.00000 0.00000 133 2PZ 0.00000 -0.02915 0.00000 0.30973 0.19897 134 3S 0.00000 1.06461 -0.00004 0.26337 1.07136 135 3PX 0.00000 -0.80191 0.00004 0.34904 -0.63155 136 3PY -0.26435 -0.00002 -0.47114 0.00001 0.00001 137 3PZ 0.00000 -0.07831 0.00000 -0.70085 -0.52259 138 4XX 0.00000 0.04624 0.00000 -0.06972 0.03746 139 4YY 0.00000 -0.05696 0.00000 0.04038 -0.12111 140 4ZZ 0.00000 -0.03829 0.00000 0.04765 -0.00048 141 4XY -0.00108 0.00000 -0.01414 0.00000 0.00000 142 4XZ 0.00000 -0.01898 0.00000 0.06607 -0.04663 143 4YZ 0.01481 0.00000 -0.02077 0.00000 0.00000 144 14 H 1S 0.00000 -0.08737 0.00000 -0.07286 0.25766 145 2S 0.00000 -0.14240 0.00001 -0.62432 -0.74305 146 15 H 1S 0.00000 0.16428 0.00000 -0.59985 0.39546 147 2S 0.00000 -0.94646 0.00003 0.85888 -0.98686 148 16 C 1S -0.01515 0.00165 0.01629 0.01325 -0.00405 149 2S 0.17294 -0.20301 -0.02947 -0.18474 -0.13280 150 2PX -0.07295 0.00959 -0.18767 -0.03394 0.07043 151 2PY -0.21579 -0.00936 0.00329 0.14215 -0.02239 152 2PZ -0.02252 -0.05415 -0.13198 0.00713 0.01487 153 3S -0.29844 0.42503 0.38908 0.65987 0.30146 154 3PX 0.26357 0.01993 0.36312 0.12578 -0.19221 155 3PY 0.78864 -0.06868 -0.17169 -0.31043 0.14738 156 3PZ 0.22376 0.31328 0.84529 0.36788 -0.01849 157 4XX -0.00173 -0.01225 0.00776 -0.01216 -0.01277 158 4YY -0.01226 -0.00595 -0.00896 0.04432 0.00742 159 4ZZ 0.02728 -0.00227 0.02117 -0.03024 -0.01603 160 4XY -0.00582 0.00702 -0.00460 -0.03731 0.02885 161 4XZ -0.00451 -0.03079 0.01103 0.01545 -0.02737 162 4YZ -0.00172 0.00136 0.00900 0.04576 0.01516 163 17 H 1S -0.14436 -0.03921 -0.00528 0.10804 0.02224 164 2S 0.69962 -0.06595 0.02960 -0.39527 -0.05438 165 18 C 1S -0.00302 -0.00201 0.00428 0.00947 -0.00579 166 2S 0.10573 -0.05653 -0.22924 -0.18337 -0.01346 167 2PX -0.03377 -0.00952 -0.10245 -0.05480 0.07811 168 2PY 0.12619 -0.07053 -0.15419 0.11682 -0.04172 169 2PZ 0.02905 0.00345 -0.26490 -0.26762 0.02066 170 3S -0.89142 -0.32289 0.50851 0.15405 -0.01853 171 3PX 0.10997 0.05422 0.29946 0.09675 -0.04067 172 3PY -0.59310 0.28661 0.77699 -0.00019 0.05202 173 3PZ 0.16704 0.00331 1.24198 0.51350 -0.04137 174 4XX 0.01342 0.02695 -0.00350 -0.04351 0.00924 175 4YY -0.01603 -0.01562 0.01729 -0.01226 -0.01049 176 4ZZ -0.00196 -0.01803 -0.04578 0.02335 0.00044 177 4XY 0.00379 -0.00953 0.00114 -0.05003 -0.00128 178 4XZ 0.00738 0.02189 -0.02171 0.02637 0.01017 179 4YZ 0.00951 -0.02720 -0.00598 -0.09955 -0.00464 180 19 H 1S -0.01174 0.07462 0.00934 0.38213 -0.03329 181 2S -0.11971 0.05845 -0.44840 -0.75292 0.05415 182 20 C 1S 0.01515 0.00165 -0.01629 0.01325 -0.00404 183 2S -0.17294 -0.20300 0.02948 -0.18474 -0.13280 184 2PX 0.07294 0.00960 0.18767 -0.03394 0.07043 185 2PY -0.21579 0.00937 0.00328 -0.14216 0.02238 186 2PZ 0.02252 -0.05414 0.13199 0.00713 0.01487 187 3S 0.29843 0.42501 -0.38912 0.65985 0.30146 188 3PX -0.26357 0.01991 -0.36313 0.12579 -0.19220 189 3PY 0.78864 0.06865 -0.17168 0.31046 -0.14737 190 3PZ -0.22377 0.31323 -0.84532 0.36788 -0.01847 191 4XX 0.00173 -0.01225 -0.00776 -0.01216 -0.01277 192 4YY 0.01226 -0.00595 0.00896 0.04432 0.00742 193 4ZZ -0.02728 -0.00227 -0.02117 -0.03024 -0.01603 194 4XY -0.00582 -0.00702 -0.00460 0.03731 -0.02885 195 4XZ 0.00451 -0.03079 -0.01102 0.01545 -0.02737 196 4YZ -0.00172 -0.00136 0.00900 -0.04577 -0.01517 197 21 H 1S 0.14436 -0.03921 0.00529 0.10805 0.02224 198 2S -0.69962 -0.06594 -0.02961 -0.39528 -0.05439 199 22 C 1S 0.00302 -0.00201 -0.00428 0.00947 -0.00579 200 2S -0.10573 -0.05651 0.22924 -0.18337 -0.01346 201 2PX 0.03377 -0.00952 0.10245 -0.05480 0.07811 202 2PY 0.12619 0.07052 -0.15420 -0.11681 0.04172 203 2PZ -0.02904 0.00346 0.26490 -0.26761 0.02066 204 3S 0.89141 -0.32291 -0.50845 0.15405 -0.01855 205 3PX -0.10997 0.05420 -0.29946 0.09674 -0.04066 206 3PY -0.59311 -0.28656 0.77702 0.00018 -0.05203 207 3PZ -0.16705 0.00324 -1.24198 0.51350 -0.04136 208 4XX -0.01342 0.02695 0.00350 -0.04351 0.00924 209 4YY 0.01603 -0.01562 -0.01729 -0.01225 -0.01049 210 4ZZ 0.00196 -0.01803 0.04578 0.02335 0.00044 211 4XY 0.00379 0.00953 0.00114 0.05003 0.00128 212 4XZ -0.00738 0.02189 0.02171 0.02637 0.01017 213 4YZ 0.00951 0.02720 -0.00598 0.09955 0.00464 214 23 H 1S 0.01174 0.07462 -0.00934 0.38212 -0.03329 215 2S 0.11973 0.05847 0.44838 -0.75291 0.05415 111 112 113 114 115 V V V V V Eigenvalues -- 0.91575 0.92346 0.92862 0.94906 0.95853 1 1 C 1S -0.00935 0.00616 -0.01074 0.00134 0.01240 2 2S 0.34902 -0.04961 0.25708 0.21741 -0.23692 3 2PX -0.04270 0.21595 -0.00420 0.01295 0.12624 4 2PY -0.22545 0.00317 0.09419 0.06149 0.24220 5 2PZ -0.23298 0.06886 0.02541 -0.02457 0.06246 6 3S -1.36902 -0.15898 -0.77453 -0.32515 -0.28241 7 3PX 0.22028 -0.53580 -0.28607 0.00424 -1.68173 8 3PY 1.40659 -0.02346 -0.29119 -0.09415 -2.66532 9 3PZ 1.13340 -0.34437 -0.14337 0.05320 -1.45004 10 4XX 0.02072 -0.00856 -0.00689 0.00121 -0.01848 11 4YY -0.01747 -0.01866 0.03381 0.00486 0.01684 12 4ZZ 0.02840 0.02799 -0.01130 0.02118 -0.03525 13 4XY 0.01250 -0.00588 -0.00497 -0.00601 -0.02800 14 4XZ 0.03683 0.01151 0.03245 -0.00754 -0.04692 15 4YZ 0.00319 0.01371 0.04381 0.06878 -0.01219 16 2 C 1S 0.00935 0.00616 -0.01074 0.00134 -0.01240 17 2S -0.34902 -0.04959 0.25708 0.21739 0.23693 18 2PX 0.04271 0.21594 -0.00420 0.01295 -0.12625 19 2PY -0.22545 -0.00317 -0.09419 -0.06149 0.24219 20 2PZ 0.23298 0.06884 0.02541 -0.02457 -0.06246 21 3S 1.36903 -0.15901 -0.77451 -0.32513 0.28240 22 3PX -0.22029 -0.53571 -0.28605 0.00425 1.68177 23 3PY 1.40659 0.02337 0.29117 0.09417 -2.66529 24 3PZ -1.13340 -0.34427 -0.14337 0.05315 1.45006 25 4XX -0.02072 -0.00856 -0.00689 0.00121 0.01848 26 4YY 0.01747 -0.01866 0.03381 0.00486 -0.01684 27 4ZZ -0.02840 0.02799 -0.01130 0.02118 0.03525 28 4XY 0.01250 0.00588 0.00497 0.00601 -0.02800 29 4XZ -0.03683 0.01151 0.03246 -0.00754 0.04692 30 4YZ 0.00319 -0.01371 -0.04381 -0.06878 -0.01219 31 3 C 1S -0.01517 -0.00144 0.01336 0.00798 -0.00789 32 2S -0.64072 0.02584 0.31887 0.07588 -0.07841 33 2PX 0.06834 -0.06932 0.23039 -0.13017 -0.24874 34 2PY 0.09364 -0.03318 -0.06134 -0.04740 0.14482 35 2PZ -0.09595 0.07258 0.13167 -0.02498 -0.28042 36 3S 2.57162 0.13371 -1.30520 0.42873 0.43682 37 3PX -0.31328 -0.03163 -1.00131 0.37427 3.07667 38 3PY -0.38691 0.44529 -0.11199 0.08944 -0.50080 39 3PZ 0.41329 -0.33178 -0.91899 0.31854 3.03260 40 4XX -0.02612 0.01966 0.02256 0.02510 0.02639 41 4YY -0.05561 0.00845 0.02105 0.01975 -0.04726 42 4ZZ 0.00851 -0.02762 -0.00630 -0.02174 0.00480 43 4XY 0.00143 -0.02819 -0.05093 0.00050 0.02137 44 4XZ -0.02113 0.00729 0.00706 0.02177 0.01452 45 4YZ -0.00206 -0.02032 -0.03862 0.00185 0.00780 46 4 C 1S 0.00402 -0.00556 -0.02396 0.00690 0.00196 47 2S -0.17964 -0.19647 -0.67802 0.29601 -0.28615 48 2PX -0.11126 0.02196 0.21198 -0.01134 -0.20205 49 2PY -0.28432 0.07433 0.02753 -0.03884 -0.20976 50 2PZ -0.01932 -0.02706 0.17473 0.02947 -0.26806 51 3S 1.26566 0.45485 1.95752 -0.88879 1.67173 52 3PX 0.65113 -0.03951 -0.60335 0.07147 1.66420 53 3PY 1.74492 -0.28575 -0.57100 0.29220 3.88484 54 3PZ 0.25729 0.09036 -0.68782 0.06301 2.31874 55 4XX -0.01035 -0.03254 0.00280 0.00364 -0.05345 56 4YY 0.04444 -0.01173 -0.07342 0.02617 0.04413 57 4ZZ -0.04739 0.00877 -0.01141 -0.00282 -0.02406 58 4XY 0.00063 -0.00875 0.03722 -0.02068 0.00258 59 4XZ -0.02578 -0.02858 -0.05706 0.00324 -0.03905 60 4YZ -0.00887 0.00191 0.02885 0.01849 -0.00047 61 5 C 1S -0.00402 -0.00556 -0.02396 0.00690 -0.00196 62 2S 0.17966 -0.19647 -0.67801 0.29600 0.28618 63 2PX 0.11126 0.02196 0.21198 -0.01135 0.20204 64 2PY -0.28432 -0.07433 -0.02754 0.03884 -0.20975 65 2PZ 0.01931 -0.02706 0.17474 0.02946 0.26805 66 3S -1.26569 0.45486 1.95746 -0.88873 -1.67183 67 3PX -0.65114 -0.03952 -0.60341 0.07150 -1.66423 68 3PY 1.74490 0.28580 0.57111 -0.29225 3.88478 69 3PZ -0.25728 0.09032 -0.68787 0.06306 -2.31872 70 4XX 0.01035 -0.03254 0.00280 0.00364 0.05345 71 4YY -0.04444 -0.01173 -0.07342 0.02617 -0.04412 72 4ZZ 0.04739 0.00876 -0.01141 -0.00282 0.02406 73 4XY 0.00063 0.00875 -0.03722 0.02068 0.00258 74 4XZ 0.02578 -0.02858 -0.05706 0.00324 0.03905 75 4YZ -0.00887 -0.00191 -0.02885 -0.01849 -0.00047 76 6 C 1S 0.01517 -0.00144 0.01336 0.00798 0.00789 77 2S 0.64071 0.02582 0.31889 0.07588 0.07840 78 2PX -0.06834 -0.06931 0.23039 -0.13017 0.24873 79 2PY 0.09364 0.03318 0.06135 0.04739 0.14482 80 2PZ 0.09595 0.07258 0.13168 -0.02498 0.28042 81 3S -2.57160 0.13378 -1.30527 0.42874 -0.43674 82 3PX 0.31329 -0.03170 -1.00136 0.37431 -3.07662 83 3PY -0.38690 -0.44531 0.11197 -0.08941 -0.50084 84 3PZ -0.41329 -0.33185 -0.91906 0.31855 -3.03257 85 4XX 0.02612 0.01966 0.02255 0.02511 -0.02639 86 4YY 0.05561 0.00844 0.02106 0.01974 0.04726 87 4ZZ -0.00851 -0.02761 -0.00630 -0.02174 -0.00480 88 4XY 0.00143 0.02819 0.05093 -0.00050 0.02136 89 4XZ 0.02113 0.00729 0.00706 0.02177 -0.01452 90 4YZ -0.00206 0.02033 0.03862 -0.00185 0.00779 91 7 H 1S -0.03166 0.00136 -0.28635 -0.13709 -0.09372 92 2S 0.43383 -0.26814 0.30489 0.37776 -0.22253 93 8 H 1S 0.03167 0.00136 -0.28634 -0.13709 0.09372 94 2S -0.43383 -0.26810 0.30488 0.37773 0.22254 95 9 H 1S -0.01105 0.00333 -0.11639 0.00230 -0.07984 96 2S 0.08954 -0.18034 0.16760 0.21410 -0.46222 97 10 H 1S 0.01105 0.00333 -0.11639 0.00229 0.07985 98 2S -0.08953 -0.18034 0.16761 0.21408 0.46223 99 11 O 1S 0.00567 -0.00583 -0.00037 0.00152 0.00382 100 2S 0.21147 -0.04086 -0.07166 0.07882 0.06438 101 2PX 0.03110 0.03531 0.13166 -0.29843 0.13188 102 2PY -0.01988 0.04624 0.02753 0.02104 -0.13670 103 2PZ -0.07419 -0.00324 0.08869 0.14205 -0.06920 104 3S -0.92894 0.29274 0.31069 -0.18866 -0.44648 105 3PX 0.05472 -0.08766 -0.03682 0.28561 -0.52893 106 3PY -0.01731 -0.02378 -0.02741 -0.11111 0.18180 107 3PZ 0.00715 0.04038 -0.00461 -0.22917 -0.30017 108 4XX 0.07894 -0.01158 -0.04529 0.02054 0.05089 109 4YY 0.03535 -0.01614 0.00596 0.01932 0.01373 110 4ZZ 0.09048 -0.03006 -0.02620 0.00371 0.03184 111 4XY 0.01315 0.01046 0.02527 -0.01016 -0.00773 112 4XZ -0.04544 0.00373 0.02979 -0.00857 -0.01508 113 4YZ -0.02236 0.01603 0.03591 0.00504 -0.02675 114 12 O 1S -0.00567 -0.00583 -0.00037 0.00152 -0.00382 115 2S -0.21147 -0.04085 -0.07166 0.07882 -0.06437 116 2PX -0.03109 0.03533 0.13165 -0.29842 -0.13189 117 2PY -0.01988 -0.04623 -0.02753 -0.02103 -0.13670 118 2PZ 0.07419 -0.00324 0.08869 0.14205 0.06920 119 3S 0.92893 0.29274 0.31072 -0.18867 0.44646 120 3PX -0.05473 -0.08767 -0.03680 0.28559 0.52894 121 3PY -0.01732 0.02377 0.02742 0.11109 0.18181 122 3PZ -0.00715 0.04039 -0.00461 -0.22917 0.30016 123 4XX -0.07894 -0.01158 -0.04529 0.02054 -0.05088 124 4YY -0.03534 -0.01613 0.00595 0.01932 -0.01373 125 4ZZ -0.09048 -0.03005 -0.02620 0.00371 -0.03184 126 4XY 0.01315 -0.01046 -0.02527 0.01016 -0.00773 127 4XZ 0.04544 0.00373 0.02979 -0.00857 0.01508 128 4YZ -0.02235 -0.01603 -0.03591 -0.00504 -0.02675 129 13 C 1S 0.00000 -0.01426 0.02251 0.01637 0.00000 130 2S 0.00001 -0.03604 -0.31520 -0.51921 0.00000 131 2PX 0.00000 0.07507 0.26444 0.23132 0.00000 132 2PY -0.16811 0.00000 0.00000 0.00000 0.08037 133 2PZ -0.00001 -0.02494 0.15406 0.29438 0.00001 134 3S -0.00002 0.57275 1.02958 1.34157 0.00001 135 3PX -0.00001 -0.48970 -0.48338 -0.43394 0.00001 136 3PY 1.16394 -0.00002 0.00000 0.00001 -0.38690 137 3PZ 0.00001 0.24365 -0.50702 -0.07674 0.00000 138 4XX 0.00000 -0.09357 0.02351 -0.10302 0.00000 139 4YY 0.00000 0.04707 -0.06029 -0.06249 0.00000 140 4ZZ 0.00000 0.04596 0.02105 0.11030 0.00000 141 4XY 0.00824 0.00000 0.00000 0.00000 0.03047 142 4XZ 0.00000 -0.03488 0.03222 -0.02694 0.00000 143 4YZ 0.03590 0.00000 0.00000 0.00000 -0.02714 144 14 H 1S -0.00001 0.14323 0.19133 0.65075 0.00001 145 2S 0.00002 -0.18820 -0.75238 -1.07050 -0.00001 146 15 H 1S -0.00001 -0.33621 0.25590 0.12101 0.00000 147 2S 0.00000 -0.00019 -0.62392 -0.41212 0.00001 148 16 C 1S -0.02351 0.00396 -0.00164 -0.00197 0.00371 149 2S -0.35553 0.42290 0.23259 0.06410 0.31007 150 2PX 0.12053 -0.18317 0.12096 -0.06830 0.04067 151 2PY -0.01370 -0.49449 0.12633 0.03325 -0.02450 152 2PZ 0.20028 -0.12503 -0.06132 0.06579 -0.00194 153 3S 1.25787 -1.16336 -0.31825 -0.46717 -0.86764 154 3PX -0.36472 0.51581 -0.12338 0.16029 0.06238 155 3PY 0.11071 0.60374 -0.18169 -0.11116 0.19969 156 3PZ -0.68263 0.34334 0.04979 -0.43538 -0.13883 157 4XX 0.01364 0.08349 -0.02588 0.02497 -0.00148 158 4YY -0.06799 -0.07367 0.05105 -0.00880 0.04299 159 4ZZ -0.00968 0.06229 0.00264 -0.01258 -0.01221 160 4XY 0.00013 -0.06962 -0.00341 -0.04234 0.01031 161 4XZ -0.00479 -0.00844 -0.01375 -0.01238 0.02262 162 4YZ -0.03158 -0.01287 0.00765 0.03414 0.02848 163 17 H 1S -0.07736 -0.48627 0.08390 -0.11650 0.07512 164 2S -0.10850 1.23516 -0.16260 0.07497 0.13135 165 18 C 1S -0.00320 -0.00179 -0.00262 -0.00248 0.00689 166 2S -0.51772 0.20200 0.06910 -0.42083 0.23284 167 2PX 0.12465 0.02823 0.17406 -0.16034 0.08799 168 2PY -0.21145 -0.16745 0.01580 0.15312 0.05475 169 2PZ -0.07552 0.06493 0.03909 -0.14549 0.07459 170 3S 2.08535 -0.69155 -0.00030 1.26260 -0.89792 171 3PX -0.15218 -0.12994 -0.24226 0.16047 -0.25653 172 3PY 0.96556 0.37239 0.04991 -0.47378 -0.76596 173 3PZ 0.28995 -0.16858 -0.24091 0.14252 -0.29107 174 4XX -0.03227 0.03230 -0.01367 -0.00683 -0.01089 175 4YY 0.01091 0.01065 0.00897 -0.02680 -0.00679 176 4ZZ -0.03965 -0.02606 0.00616 -0.01287 0.04368 177 4XY 0.00969 -0.01927 0.01449 -0.02566 -0.00051 178 4XZ -0.01445 0.00732 0.01498 0.01131 0.00041 179 4YZ 0.02284 0.01596 -0.00532 0.00133 -0.00826 180 19 H 1S -0.05548 0.05036 0.01601 0.04836 -0.00544 181 2S -0.09940 0.37623 0.16859 -0.59645 0.04466 182 20 C 1S 0.02351 0.00396 -0.00164 -0.00197 -0.00371 183 2S 0.35553 0.42288 0.23258 0.06412 -0.31008 184 2PX -0.12053 -0.18316 0.12096 -0.06829 -0.04067 185 2PY -0.01369 0.49449 -0.12634 -0.03324 -0.02450 186 2PZ -0.20029 -0.12503 -0.06132 0.06578 0.00195 187 3S -1.25788 -1.16332 -0.31826 -0.46721 0.86763 188 3PX 0.36473 0.51578 -0.12339 0.16029 -0.06237 189 3PY 0.11069 -0.60375 0.18172 0.11113 0.19971 190 3PZ 0.68265 0.34333 0.04978 -0.43535 0.13880 191 4XX -0.01364 0.08348 -0.02588 0.02497 0.00148 192 4YY 0.06798 -0.07367 0.05105 -0.00880 -0.04299 193 4ZZ 0.00968 0.06229 0.00264 -0.01258 0.01221 194 4XY 0.00013 0.06961 0.00341 0.04233 0.01031 195 4XZ 0.00479 -0.00844 -0.01375 -0.01238 -0.02262 196 4YZ -0.03158 0.01287 -0.00764 -0.03414 0.02848 197 21 H 1S 0.07735 -0.48627 0.08390 -0.11650 -0.07512 198 2S 0.10854 1.23514 -0.16262 0.07499 -0.13135 199 22 C 1S 0.00320 -0.00179 -0.00262 -0.00248 -0.00689 200 2S 0.51774 0.20201 0.06910 -0.42079 -0.23285 201 2PX -0.12465 0.02823 0.17406 -0.16034 -0.08800 202 2PY -0.21144 0.16745 -0.01580 -0.15312 0.05475 203 2PZ 0.07553 0.06493 0.03910 -0.14548 -0.07459 204 3S -2.08540 -0.69156 -0.00027 1.26245 0.89795 205 3PX 0.15219 -0.12994 -0.24226 0.16047 0.25654 206 3PY 0.96554 -0.37239 -0.04990 0.47384 -0.76595 207 3PZ -0.28996 -0.16858 -0.24093 0.14250 0.29107 208 4XX 0.03227 0.03230 -0.01367 -0.00682 0.01089 209 4YY -0.01091 0.01065 0.00897 -0.02680 0.00679 210 4ZZ 0.03965 -0.02606 0.00616 -0.01286 -0.04368 211 4XY 0.00969 0.01927 -0.01449 0.02566 -0.00051 212 4XZ 0.01445 0.00732 0.01498 0.01131 -0.00041 213 4YZ 0.02284 -0.01596 0.00532 -0.00133 -0.00826 214 23 H 1S 0.05547 0.05036 0.01601 0.04836 0.00545 215 2S 0.09943 0.37624 0.16859 -0.59643 -0.04467 116 117 118 119 120 V V V V V Eigenvalues -- 0.96806 0.99204 1.01522 1.04639 1.05789 1 1 C 1S 0.01348 -0.00659 0.00596 -0.00073 -0.00889 2 2S -0.12421 0.11870 0.43097 -0.15364 -0.08098 3 2PX -0.18998 -0.01416 0.02535 -0.05660 0.13309 4 2PY -0.08081 0.12064 0.20342 -0.02101 -0.10806 5 2PZ -0.08280 -0.27069 0.02587 -0.13711 0.02948 6 3S -0.39168 -0.14923 -1.38636 -0.29335 0.81427 7 3PX 1.56073 0.09584 -0.21086 0.46582 0.07965 8 3PY 2.08285 -0.13289 -0.82692 1.09641 -0.41098 9 3PZ 0.87439 0.63914 -0.05275 0.77627 0.21701 10 4XX -0.03623 0.03210 -0.02290 0.00375 -0.02932 11 4YY -0.03389 0.00597 0.02855 -0.02388 0.00050 12 4ZZ 0.05927 -0.01719 0.03294 -0.00591 0.02374 13 4XY -0.01282 -0.02177 0.02584 -0.02670 0.00603 14 4XZ 0.00763 -0.01942 0.02173 -0.03767 -0.00543 15 4YZ -0.02891 0.07807 -0.06898 0.00920 -0.00043 16 2 C 1S -0.01348 -0.00659 0.00596 0.00073 0.00889 17 2S 0.12422 0.11871 0.43098 0.15364 0.08097 18 2PX 0.18999 -0.01415 0.02535 0.05660 -0.13309 19 2PY -0.08081 -0.12065 -0.20342 -0.02100 -0.10806 20 2PZ 0.08280 -0.27069 0.02587 0.13711 -0.02948 21 3S 0.39167 -0.14924 -1.38639 0.29337 -0.81425 22 3PX -1.56077 0.09580 -0.21089 -0.46583 -0.07965 23 3PY 2.08283 0.13293 0.82694 1.09638 -0.41099 24 3PZ -0.87441 0.63911 -0.05274 -0.77627 -0.21701 25 4XX 0.03623 0.03210 -0.02290 -0.00375 0.02932 26 4YY 0.03389 0.00597 0.02855 0.02388 -0.00050 27 4ZZ -0.05927 -0.01720 0.03294 0.00591 -0.02374 28 4XY -0.01282 0.02177 -0.02584 -0.02670 0.00603 29 4XZ -0.00762 -0.01942 0.02173 0.03767 0.00543 30 4YZ -0.02891 -0.07807 0.06898 0.00919 -0.00043 31 3 C 1S -0.00918 -0.00739 -0.03202 0.00113 0.00662 32 2S 0.00657 -0.15604 -0.69832 0.11562 0.03735 33 2PX 0.08543 -0.13671 0.08741 0.17660 -0.11042 34 2PY 0.21383 -0.05312 0.02768 0.14664 -0.12707 35 2PZ 0.16619 -0.06159 -0.00889 -0.05151 0.03285 36 3S 0.72708 0.47814 2.33067 -0.31103 -0.15492 37 3PX -1.23923 0.84879 -0.19726 -1.22899 0.19677 38 3PY -0.44114 0.01578 -0.51110 -0.56051 0.78706 39 3PZ -1.57349 0.32621 -0.01136 -0.37709 -0.12202 40 4XX 0.02174 0.04354 -0.01749 0.00470 -0.02010 41 4YY -0.05229 -0.03096 -0.09721 -0.01887 0.03388 42 4ZZ 0.03862 -0.03200 0.03204 0.02386 -0.01334 43 4XY 0.00122 0.02034 -0.01311 -0.04030 -0.07329 44 4XZ 0.05243 -0.00262 -0.01655 0.03581 -0.02290 45 4YZ -0.03194 0.01024 -0.03210 -0.05969 -0.03610 46 4 C 1S -0.00912 0.01297 0.00912 -0.01936 -0.01196 47 2S 0.11834 0.17145 0.25827 -0.27532 -0.51951 48 2PX -0.05781 0.05179 0.04810 -0.05177 0.02628 49 2PY 0.19213 -0.06102 -0.14282 0.11357 -0.07229 50 2PZ -0.02130 -0.02707 0.04769 0.00008 0.12575 51 3S 0.29823 -0.95227 -1.09031 1.39327 0.52172 52 3PX -0.23728 0.04267 -0.07637 -0.09969 -0.00485 53 3PY -1.06699 0.42989 0.72106 -0.48196 -0.37559 54 3PZ -0.33292 0.29247 -0.10389 -0.68489 -0.14931 55 4XX 0.00317 -0.03937 0.02793 0.01539 -0.02019 56 4YY -0.01312 0.02052 0.01416 -0.01739 -0.02440 57 4ZZ 0.03170 0.05562 -0.00312 -0.03896 -0.04930 58 4XY 0.02548 -0.05181 -0.00779 0.01180 0.00213 59 4XZ 0.01919 0.01519 0.00237 -0.00752 -0.06721 60 4YZ 0.02437 -0.01086 -0.04198 0.02087 -0.01347 61 5 C 1S 0.00912 0.01297 0.00912 0.01936 0.01196 62 2S -0.11833 0.17145 0.25827 0.27531 0.51951 63 2PX 0.05780 0.05179 0.04810 0.05177 -0.02628 64 2PY 0.19213 0.06102 0.14283 0.11356 -0.07229 65 2PZ 0.02130 -0.02708 0.04769 -0.00008 -0.12576 66 3S -0.29829 -0.95224 -1.09033 -1.39324 -0.52175 67 3PX 0.23731 0.04268 -0.07632 0.09970 0.00487 68 3PY -1.06700 -0.42992 -0.72112 -0.48193 -0.37560 69 3PZ 0.33293 0.29248 -0.10384 0.68489 0.14932 70 4XX -0.00317 -0.03937 0.02793 -0.01539 0.02019 71 4YY 0.01312 0.02052 0.01416 0.01739 0.02441 72 4ZZ -0.03170 0.05562 -0.00312 0.03896 0.04930 73 4XY 0.02548 0.05181 0.00779 0.01180 0.00213 74 4XZ -0.01919 0.01519 0.00237 0.00751 0.06721 75 4YZ 0.02437 0.01086 0.04198 0.02087 -0.01346 76 6 C 1S 0.00918 -0.00739 -0.03202 -0.00113 -0.00662 77 2S -0.00658 -0.15604 -0.69832 -0.11560 -0.03736 78 2PX -0.08544 -0.13671 0.08740 -0.17661 0.11042 79 2PY 0.21383 0.05312 -0.02768 0.14664 -0.12707 80 2PZ -0.16619 -0.06159 -0.00889 0.05151 -0.03285 81 3S -0.72703 0.47810 2.33072 0.31096 0.15494 82 3PX 1.23925 0.84882 -0.19722 1.22900 -0.19676 83 3PY -0.44114 -0.01575 0.51108 -0.56052 0.78705 84 3PZ 1.57351 0.32623 -0.01132 0.37708 0.12204 85 4XX -0.02174 0.04354 -0.01749 -0.00470 0.02010 86 4YY 0.05229 -0.03096 -0.09721 0.01887 -0.03388 87 4ZZ -0.03863 -0.03200 0.03204 -0.02386 0.01334 88 4XY 0.00122 -0.02034 0.01311 -0.04030 -0.07329 89 4XZ -0.05243 -0.00262 -0.01655 -0.03581 0.02290 90 4YZ -0.03194 -0.01024 0.03209 -0.05970 -0.03610 91 7 H 1S 0.26837 -0.22730 0.09887 -0.03011 0.15345 92 2S -0.14527 0.84257 0.28497 0.25910 -0.04612 93 8 H 1S -0.26837 -0.22731 0.09888 0.03010 -0.15345 94 2S 0.14527 0.84257 0.28496 -0.25910 0.04611 95 9 H 1S -0.02868 0.03967 0.10932 -0.04240 -0.16305 96 2S -0.10792 0.04737 0.42072 -0.07344 -0.05204 97 10 H 1S 0.02868 0.03967 0.10932 0.04239 0.16305 98 2S 0.10793 0.04737 0.42072 0.07343 0.05204 99 11 O 1S 0.00157 0.00213 0.01598 -0.00032 -0.00671 100 2S 0.03703 0.03774 0.16627 -0.07341 0.03729 101 2PX 0.25188 0.16982 0.13433 0.00715 0.42963 102 2PY -0.17551 -0.03329 -0.23341 -0.13537 0.26879 103 2PZ -0.14167 -0.37066 0.09194 0.50553 0.01736 104 3S -0.31984 -0.18386 -1.02957 0.01167 0.34262 105 3PX -0.15877 -0.35149 -0.11786 0.15136 -0.65143 106 3PY 0.29108 0.01220 0.18655 0.25321 -0.35107 107 3PZ 0.35451 0.39996 -0.14903 -0.65960 -0.02319 108 4XX 0.03173 0.02751 0.08393 -0.01638 -0.03454 109 4YY 0.00293 0.02189 0.03720 -0.03215 0.02732 110 4ZZ 0.04197 0.00318 0.10973 0.00654 -0.01657 111 4XY 0.02366 0.00359 0.03147 0.02553 0.03560 112 4XZ -0.00699 -0.01332 -0.06437 0.00294 0.02405 113 4YZ 0.01215 -0.01369 -0.00398 0.04527 0.02770 114 12 O 1S -0.00157 0.00213 0.01598 0.00032 0.00671 115 2S -0.03703 0.03773 0.16627 0.07341 -0.03729 116 2PX -0.25189 0.16982 0.13433 -0.00715 -0.42963 117 2PY -0.17551 0.03329 0.23340 -0.13538 0.26879 118 2PZ 0.14168 -0.37066 0.09192 -0.50554 -0.01736 119 3S 0.31983 -0.18386 -1.02958 -0.01163 -0.34262 120 3PX 0.15878 -0.35150 -0.11787 -0.15136 0.65143 121 3PY 0.29108 -0.01221 -0.18654 0.25322 -0.35107 122 3PZ -0.35452 0.39995 -0.14902 0.65961 0.02318 123 4XX -0.03173 0.02751 0.08393 0.01638 0.03454 124 4YY -0.00293 0.02189 0.03720 0.03215 -0.02732 125 4ZZ -0.04197 0.00318 0.10974 -0.00654 0.01657 126 4XY 0.02366 -0.00359 -0.03147 0.02553 0.03560 127 4XZ 0.00698 -0.01332 -0.06437 -0.00294 -0.02405 128 4YZ 0.01215 0.01369 0.00398 0.04527 0.02770 129 13 C 1S 0.00000 -0.01390 0.01877 0.00000 0.00000 130 2S -0.00001 -0.41275 0.02851 -0.00001 0.00000 131 2PX 0.00001 0.20090 -0.00948 0.00000 0.00000 132 2PY -0.15861 0.00000 0.00000 0.06791 0.01852 133 2PZ 0.00000 0.21944 0.05649 0.00000 0.00000 134 3S 0.00002 1.64267 -0.53562 0.00003 -0.00001 135 3PX -0.00002 -0.15919 -0.07043 -0.00001 -0.00001 136 3PY 0.42649 0.00000 0.00000 -0.03899 -0.04914 137 3PZ 0.00001 -0.41491 -0.00998 0.00001 0.00000 138 4XX 0.00000 -0.03271 -0.03514 0.00000 0.00000 139 4YY 0.00000 -0.03074 0.01363 0.00000 0.00000 140 4ZZ 0.00000 0.00242 0.03356 0.00000 0.00000 141 4XY -0.04288 0.00000 0.00000 -0.04488 -0.02843 142 4XZ 0.00000 -0.02950 -0.03374 0.00000 0.00000 143 4YZ 0.04449 0.00000 0.00000 0.03138 0.00891 144 14 H 1S 0.00001 0.20256 0.26302 0.00000 0.00000 145 2S -0.00001 -0.78174 -0.24254 0.00000 0.00000 146 15 H 1S 0.00000 0.04928 0.06245 0.00000 0.00000 147 2S -0.00001 -0.41681 0.02422 -0.00001 0.00000 148 16 C 1S 0.00334 -0.00521 -0.00379 0.00092 -0.00309 149 2S -0.16123 -0.39190 0.43668 0.26812 0.02671 150 2PX 0.11096 0.03811 0.16625 0.07341 0.05847 151 2PY -0.05394 0.07487 -0.09071 -0.02180 0.09706 152 2PZ -0.14081 -0.10780 0.02697 0.07820 0.01353 153 3S 1.12439 1.27785 -0.82466 -0.45325 0.35183 154 3PX -0.33267 0.09230 -0.27971 -0.07439 -0.03811 155 3PY -0.05865 -0.55854 0.38073 0.30073 -0.24024 156 3PZ 0.67345 0.74595 -0.48198 -0.16469 0.10635 157 4XX -0.04619 -0.00606 0.01705 -0.02732 -0.03768 158 4YY -0.01921 -0.03884 -0.00168 0.03610 0.01857 159 4ZZ 0.06279 -0.00085 0.00605 0.01739 0.01902 160 4XY 0.01245 0.01214 0.00675 0.02548 0.01447 161 4XZ -0.01446 -0.00804 0.06502 0.02034 -0.00186 162 4YZ -0.01767 0.01009 0.01252 -0.02406 -0.02021 163 17 H 1S -0.14036 -0.11579 0.00672 0.10118 0.01729 164 2S -0.08203 -0.41483 0.33669 0.17843 -0.24478 165 18 C 1S 0.00241 0.01352 -0.00122 -0.00031 -0.00088 166 2S 0.56760 0.37686 0.05275 -0.12977 -0.05327 167 2PX -0.09145 -0.00701 0.05984 0.04858 -0.02645 168 2PY 0.03887 -0.10386 0.02593 -0.03967 0.00335 169 2PZ -0.07550 -0.08348 -0.00412 0.04185 -0.01019 170 3S -1.83211 -1.43594 0.48786 0.31823 0.02814 171 3PX 0.49066 0.03647 -0.09476 0.00175 0.26856 172 3PY 0.04802 0.64640 -0.28477 -0.23312 -0.06417 173 3PZ 0.43908 0.29405 -0.12854 0.20174 0.47825 174 4XX 0.03024 -0.00906 -0.02973 -0.01446 -0.00145 175 4YY 0.01111 0.03747 -0.00725 -0.00419 -0.00078 176 4ZZ 0.01705 0.02835 0.03524 -0.00070 -0.01064 177 4XY -0.00069 -0.00288 -0.01426 0.00932 0.01141 178 4XZ 0.03173 0.00847 -0.02532 -0.01380 0.00024 179 4YZ -0.00293 -0.05626 0.05585 0.02418 0.01594 180 19 H 1S 0.08207 0.16240 -0.07608 -0.18976 -0.15578 181 2S 0.08252 0.17632 0.01510 -0.10483 -0.18406 182 20 C 1S -0.00334 -0.00521 -0.00379 -0.00092 0.00309 183 2S 0.16125 -0.39190 0.43666 -0.26813 -0.02670 184 2PX -0.11096 0.03811 0.16625 -0.07342 -0.05847 185 2PY -0.05392 -0.07487 0.09071 -0.02180 0.09706 186 2PZ 0.14081 -0.10779 0.02697 -0.07820 -0.01353 187 3S -1.12445 1.27784 -0.82459 0.45326 -0.35184 188 3PX 0.33268 0.09230 -0.27970 0.07441 0.03811 189 3PY -0.05868 0.55856 -0.38072 0.30075 -0.24026 190 3PZ -0.67345 0.74593 -0.48195 0.16470 -0.10634 191 4XX 0.04619 -0.00606 0.01706 0.02732 0.03769 192 4YY 0.01921 -0.03884 -0.00169 -0.03610 -0.01857 193 4ZZ -0.06279 -0.00085 0.00604 -0.01739 -0.01902 194 4XY 0.01245 -0.01214 -0.00675 0.02548 0.01447 195 4XZ 0.01446 -0.00804 0.06502 -0.02035 0.00186 196 4YZ -0.01767 -0.01009 -0.01252 -0.02406 -0.02021 197 21 H 1S 0.14034 -0.11579 0.00671 -0.10119 -0.01730 198 2S 0.08209 -0.41484 0.33669 -0.17844 0.24480 199 22 C 1S -0.00241 0.01352 -0.00122 0.00031 0.00088 200 2S -0.56761 0.37686 0.05276 0.12977 0.05327 201 2PX 0.09145 -0.00701 0.05983 -0.04858 0.02645 202 2PY 0.03887 0.10386 -0.02593 -0.03967 0.00335 203 2PZ 0.07550 -0.08348 -0.00413 -0.04185 0.01019 204 3S 1.83214 -1.43592 0.48785 -0.31823 -0.02815 205 3PX -0.49065 0.03647 -0.09476 -0.00174 -0.26856 206 3PY 0.04804 -0.64640 0.28473 -0.23313 -0.06417 207 3PZ -0.43907 0.29405 -0.12851 -0.20174 -0.47824 208 4XX -0.03023 -0.00906 -0.02973 0.01446 0.00145 209 4YY -0.01111 0.03747 -0.00725 0.00419 0.00078 210 4ZZ -0.01705 0.02835 0.03524 0.00069 0.01064 211 4XY -0.00069 0.00288 0.01426 0.00932 0.01141 212 4XZ -0.03173 0.00846 -0.02532 0.01380 -0.00024 213 4YZ -0.00293 0.05626 -0.05585 0.02418 0.01594 214 23 H 1S -0.08207 0.16240 -0.07608 0.18977 0.15578 215 2S -0.08254 0.17632 0.01510 0.10483 0.18406 121 122 123 124 125 V V V V V Eigenvalues -- 1.06981 1.09267 1.12489 1.14714 1.18147 1 1 C 1S 0.00937 0.00024 0.00143 -0.02205 0.00748 2 2S 0.32686 -0.02803 -0.14027 -0.15133 -0.37000 3 2PX 0.03336 0.13408 -0.06625 0.05769 0.05639 4 2PY -0.05701 0.06047 0.01784 -0.15366 0.07272 5 2PZ 0.16324 -0.10167 -0.12730 0.15984 -0.03734 6 3S 0.07276 0.29930 0.96190 2.53388 0.30553 7 3PX -0.01842 -0.36603 0.35635 0.29607 -0.49038 8 3PY 0.31070 -1.08833 0.35523 1.50556 -0.33894 9 3PZ -0.16316 0.81507 0.31791 -0.17498 -0.72297 10 4XX 0.02730 -0.06911 0.04141 -0.02008 0.01845 11 4YY 0.04145 0.01543 -0.04860 0.03785 -0.01884 12 4ZZ -0.03888 0.05729 0.01504 -0.03289 -0.02448 13 4XY 0.04995 -0.01401 -0.01768 -0.07539 0.00006 14 4XZ 0.01053 0.00217 0.00446 0.00302 -0.05315 15 4YZ 0.01296 -0.03686 0.04169 0.15595 0.01751 16 2 C 1S 0.00937 -0.00024 0.00143 -0.02205 -0.00748 17 2S 0.32686 0.02803 -0.14027 -0.15134 0.36997 18 2PX 0.03336 -0.13408 -0.06625 0.05769 -0.05639 19 2PY 0.05701 0.06046 -0.01784 0.15366 0.07272 20 2PZ 0.16324 0.10167 -0.12730 0.15985 0.03734 21 3S 0.07277 -0.29934 0.96191 2.53383 -0.30536 22 3PX -0.01839 0.36605 0.35633 0.29606 0.49040 23 3PY -0.31073 -1.08829 -0.35521 -1.50559 -0.33899 24 3PZ -0.16316 -0.81506 0.31791 -0.17506 0.72299 25 4XX 0.02730 0.06911 0.04140 -0.02007 -0.01845 26 4YY 0.04145 -0.01543 -0.04860 0.03785 0.01884 27 4ZZ -0.03888 -0.05730 0.01505 -0.03289 0.02449 28 4XY -0.04995 -0.01401 0.01768 0.07539 0.00006 29 4XZ 0.01053 -0.00217 0.00446 0.00302 0.05315 30 4YZ -0.01297 -0.03685 -0.04169 -0.15595 0.01750 31 3 C 1S 0.01111 0.01113 -0.00094 -0.00850 0.00196 32 2S 0.16422 0.44219 -0.02874 -0.15603 0.03801 33 2PX -0.18567 -0.06752 -0.20164 -0.09113 -0.08009 34 2PY 0.04153 0.14460 -0.04751 0.02427 -0.07322 35 2PZ 0.09378 -0.05927 -0.21319 -0.27765 0.02343 36 3S 0.13161 0.03728 0.20038 0.07045 -1.16314 37 3PX 0.80982 0.38409 1.30081 1.79488 0.37524 38 3PY -0.06348 0.37515 0.41945 0.01560 -0.73622 39 3PZ 0.13058 0.99550 1.35493 2.41077 -0.10236 40 4XX 0.01059 -0.03374 0.00888 0.08216 0.02293 41 4YY 0.00827 0.05703 0.01493 -0.01686 -0.01225 42 4ZZ 0.00011 0.03640 -0.02392 -0.07748 -0.03297 43 4XY -0.02486 0.02672 -0.05537 0.01471 0.00384 44 4XZ 0.03545 0.07522 -0.01473 -0.01090 -0.00004 45 4YZ -0.01869 -0.01059 -0.06796 -0.02137 0.01604 46 4 C 1S 0.00312 -0.00546 0.00779 0.01722 0.00706 47 2S 0.14801 -0.25086 0.23572 0.07554 0.26096 48 2PX -0.06367 -0.09169 -0.04884 0.11757 0.01860 49 2PY -0.00604 -0.08247 0.11793 -0.14573 0.04044 50 2PZ 0.06753 -0.04462 -0.05855 0.12414 0.10011 51 3S -0.67243 0.94401 -1.24525 -2.43975 -0.04118 52 3PX -0.03551 1.22496 0.42399 0.04968 -1.06193 53 3PY 0.33431 0.94699 0.05178 1.53033 0.41558 54 3PZ -0.02630 1.09532 0.54604 0.07335 -1.18497 55 4XX -0.05750 -0.01187 -0.03307 -0.00553 0.00263 56 4YY 0.00753 0.01175 0.05353 -0.01863 0.01307 57 4ZZ 0.03244 -0.03376 -0.01138 0.03911 0.02634 58 4XY -0.00552 0.03193 -0.00990 -0.10621 -0.03985 59 4XZ -0.01046 -0.01922 -0.03400 0.03369 0.06490 60 4YZ 0.01127 0.03674 -0.03513 -0.03674 -0.02103 61 5 C 1S 0.00312 0.00546 0.00779 0.01722 -0.00706 62 2S 0.14800 0.25086 0.23571 0.07555 -0.26097 63 2PX -0.06367 0.09168 -0.04884 0.11757 -0.01860 64 2PY 0.00604 -0.08247 -0.11793 0.14573 0.04044 65 2PZ 0.06753 0.04462 -0.05855 0.12414 -0.10010 66 3S -0.67244 -0.94398 -1.24521 -2.43973 0.04112 67 3PX -0.03553 -1.22496 0.42401 0.04963 1.06192 68 3PY -0.33428 0.94700 -0.05178 -1.53032 0.41553 69 3PZ -0.02633 -1.09531 0.54606 0.07329 1.18496 70 4XX -0.05749 0.01187 -0.03307 -0.00554 -0.00264 71 4YY 0.00753 -0.01175 0.05353 -0.01862 -0.01307 72 4ZZ 0.03244 0.03376 -0.01138 0.03912 -0.02633 73 4XY 0.00552 0.03192 0.00990 0.10621 -0.03984 74 4XZ -0.01046 0.01922 -0.03400 0.03369 -0.06490 75 4YZ -0.01127 0.03674 0.03513 0.03674 -0.02104 76 6 C 1S 0.01111 -0.01113 -0.00094 -0.00850 -0.00196 77 2S 0.16421 -0.44220 -0.02873 -0.15603 -0.03800 78 2PX -0.18566 0.06752 -0.20164 -0.09114 0.08009 79 2PY -0.04153 0.14460 0.04750 -0.02427 -0.07322 80 2PZ 0.09378 0.05927 -0.21319 -0.27765 -0.02344 81 3S 0.13161 -0.03725 0.20035 0.07035 1.16306 82 3PX 0.80978 -0.38412 1.30081 1.79490 -0.37514 83 3PY 0.06348 0.37515 -0.41944 -0.01551 -0.73619 84 3PZ 0.13055 -0.99552 1.35493 2.41074 0.10246 85 4XX 0.01059 0.03374 0.00888 0.08216 -0.02292 86 4YY 0.00827 -0.05703 0.01493 -0.01686 0.01225 87 4ZZ 0.00011 -0.03640 -0.02392 -0.07749 0.03296 88 4XY 0.02486 0.02673 0.05537 -0.01470 0.00384 89 4XZ 0.03545 -0.07522 -0.01473 -0.01090 0.00004 90 4YZ 0.01869 -0.01059 0.06796 0.02137 0.01604 91 7 H 1S -0.01253 0.31812 0.01660 -0.29353 -0.13750 92 2S -0.08778 0.23180 0.07996 -0.43787 -0.25254 93 8 H 1S -0.01253 -0.31812 0.01660 -0.29355 0.13749 94 2S -0.08778 -0.23179 0.07996 -0.43789 0.25252 95 9 H 1S 0.11592 -0.31809 -0.12778 0.29789 0.40529 96 2S 0.17514 -0.43847 -0.09936 0.39307 0.58701 97 10 H 1S 0.11592 0.31808 -0.12779 0.29791 -0.40528 98 2S 0.17515 0.43846 -0.09938 0.39309 -0.58699 99 11 O 1S 0.00297 -0.01059 -0.00206 -0.00399 0.00850 100 2S 0.12416 -0.03111 0.03737 -0.12030 -0.00878 101 2PX 0.31882 -0.26792 0.31485 -0.08483 0.03511 102 2PY 0.15386 0.08251 0.07628 -0.07104 -0.11232 103 2PZ -0.17768 -0.01556 0.39485 0.08981 -0.12282 104 3S -0.32095 0.37512 0.08142 0.22512 -0.26218 105 3PX -0.55551 0.33916 -0.69644 -0.16556 -0.08367 106 3PY -0.26747 -0.03087 -0.12248 0.16627 0.08200 107 3PZ 0.18862 -0.10853 -0.79982 -0.51398 0.18615 108 4XX 0.01955 -0.03270 -0.01183 -0.00390 0.02433 109 4YY 0.03333 -0.02695 0.01816 -0.05012 0.01333 110 4ZZ 0.03056 -0.02817 0.00375 -0.03265 -0.00436 111 4XY 0.02299 -0.04501 0.04976 0.00665 0.00019 112 4XZ 0.00123 0.02728 -0.00220 -0.00918 -0.00728 113 4YZ 0.00476 0.00984 0.06207 0.01531 -0.02013 114 12 O 1S 0.00297 0.01059 -0.00206 -0.00399 -0.00850 115 2S 0.12416 0.03111 0.03737 -0.12030 0.00877 116 2PX 0.31883 0.26793 0.31485 -0.08482 -0.03510 117 2PY -0.15386 0.08251 -0.07628 0.07105 -0.11231 118 2PZ -0.17768 0.01557 0.39485 0.08981 0.12282 119 3S -0.32095 -0.37513 0.08143 0.22509 0.26220 120 3PX -0.55551 -0.33917 -0.69643 -0.16557 0.08365 121 3PY 0.26747 -0.03088 0.12247 -0.16627 0.08199 122 3PZ 0.18862 0.10852 -0.79982 -0.51397 -0.18618 123 4XX 0.01955 0.03270 -0.01183 -0.00390 -0.02433 124 4YY 0.03333 0.02695 0.01816 -0.05012 -0.01333 125 4ZZ 0.03056 0.02818 0.00374 -0.03265 0.00436 126 4XY -0.02299 -0.04501 -0.04976 -0.00665 0.00019 127 4XZ 0.00123 -0.02728 -0.00220 -0.00918 0.00728 128 4YZ -0.00476 0.00984 -0.06207 -0.01531 -0.02013 129 13 C 1S -0.00421 0.00000 -0.01094 0.01445 0.00000 130 2S -0.03091 -0.00001 -0.06591 0.49054 0.00001 131 2PX -0.03070 0.00000 0.02495 -0.06901 0.00000 132 2PY 0.00000 0.01567 0.00000 0.00000 0.00888 133 2PZ -0.09534 0.00000 -0.02382 0.00778 0.00000 134 3S -0.20712 0.00000 0.13172 -1.51608 -0.00004 135 3PX -0.19795 0.00000 -0.04124 0.10494 0.00001 136 3PY -0.00001 0.12221 -0.00001 -0.00002 0.34861 137 3PZ 0.24504 -0.00001 0.20007 -0.72713 -0.00001 138 4XX -0.00399 0.00000 -0.02018 0.13095 0.00000 139 4YY -0.05978 0.00000 0.00155 -0.08546 0.00000 140 4ZZ 0.05213 0.00000 -0.00727 0.02060 0.00000 141 4XY 0.00000 -0.02215 0.00000 0.00000 -0.07245 142 4XZ 0.08284 0.00000 -0.03086 0.08208 0.00000 143 4YZ 0.00000 -0.00083 0.00000 0.00000 0.01858 144 14 H 1S -0.01862 0.00000 0.03934 -0.17199 0.00000 145 2S 0.07725 0.00000 0.13076 0.10545 0.00001 146 15 H 1S -0.09729 0.00000 -0.03780 0.10081 0.00000 147 2S 0.01331 -0.00001 -0.06520 0.27553 0.00001 148 16 C 1S 0.00045 -0.01709 -0.00719 0.00031 0.00179 149 2S 0.18398 -0.29743 -0.35453 0.04248 0.33478 150 2PX -0.00045 -0.01069 -0.04039 0.01847 0.11583 151 2PY -0.09016 0.17665 0.04688 -0.10602 0.18400 152 2PZ 0.07286 -0.00092 0.00880 -0.07893 0.13654 153 3S -1.07239 2.08067 0.99522 0.33897 0.57608 154 3PX -0.04082 0.14201 0.15240 -0.25376 -0.40371 155 3PY 0.29133 -0.46892 -0.12750 0.62333 -0.55818 156 3PZ -0.68228 0.55261 0.23247 0.38918 -0.26691 157 4XX -0.04206 -0.03197 0.00491 -0.06967 -0.04963 158 4YY 0.08127 -0.05271 -0.03153 0.06278 0.00539 159 4ZZ -0.02683 0.06444 -0.00965 0.04080 0.06957 160 4XY -0.00658 -0.04131 0.02269 -0.00174 0.02501 161 4XZ -0.04364 -0.01269 0.00267 -0.12798 0.09152 162 4YZ 0.01273 -0.02639 -0.00037 -0.00929 -0.05278 163 17 H 1S 0.09678 -0.26163 -0.00267 0.00693 -0.18581 164 2S 0.12124 -0.33462 -0.24349 0.30859 -0.33265 165 18 C 1S -0.02361 0.00200 0.01137 -0.00411 -0.00025 166 2S -0.72221 0.13069 0.19521 0.06643 -0.15901 167 2PX -0.16951 -0.11068 -0.03030 0.07210 -0.14237 168 2PY 0.10533 -0.02524 -0.00222 -0.05843 -0.02716 169 2PZ 0.09341 -0.13335 -0.04885 0.06286 -0.10224 170 3S 1.95409 -0.67634 -0.66639 -0.50461 0.60640 171 3PX 0.21410 0.73719 0.08743 -0.01631 0.88124 172 3PY -0.69220 0.37705 0.11686 0.13867 -0.29077 173 3PZ -0.30857 1.63895 0.34395 0.00746 1.57956 174 4XX 0.05705 0.01880 -0.01811 0.05446 -0.02599 175 4YY -0.06562 0.01222 0.02924 -0.00483 -0.00532 176 4ZZ -0.06286 -0.02622 0.01898 -0.04975 0.00620 177 4XY 0.02360 0.00304 -0.01156 0.08501 0.02809 178 4XZ 0.02720 0.01737 -0.01224 0.07140 -0.03714 179 4YZ 0.01296 0.04395 -0.01602 -0.04111 0.09019 180 19 H 1S -0.16851 -0.23580 0.01935 -0.02338 -0.53225 181 2S -0.40300 -0.40812 -0.05744 0.17080 -0.64210 182 20 C 1S 0.00045 0.01709 -0.00719 0.00031 -0.00179 183 2S 0.18397 0.29741 -0.35453 0.04249 -0.33479 184 2PX -0.00044 0.01070 -0.04039 0.01847 -0.11583 185 2PY 0.09016 0.17665 -0.04689 0.10601 0.18400 186 2PZ 0.07287 0.00092 0.00880 -0.07892 -0.13654 187 3S -1.07237 -2.08063 0.99528 0.33895 -0.57606 188 3PX -0.04083 -0.14204 0.15240 -0.25379 0.40369 189 3PY -0.29135 -0.46893 0.12754 -0.62328 -0.55818 190 3PZ -0.68229 -0.55259 0.23248 0.38913 0.26692 191 4XX -0.04206 0.03197 0.00491 -0.06967 0.04963 192 4YY 0.08127 0.05271 -0.03154 0.06278 -0.00539 193 4ZZ -0.02683 -0.06444 -0.00964 0.04080 -0.06957 194 4XY 0.00658 -0.04131 -0.02269 0.00173 0.02501 195 4XZ -0.04364 0.01270 0.00267 -0.12797 -0.09152 196 4YZ -0.01273 -0.02640 0.00037 0.00929 -0.05278 197 21 H 1S 0.09679 0.26164 -0.00268 0.00692 0.18581 198 2S 0.12123 0.33460 -0.24351 0.30856 0.33264 199 22 C 1S -0.02361 -0.00200 0.01137 -0.00411 0.00025 200 2S -0.72219 -0.13067 0.19521 0.06641 0.15901 201 2PX -0.16951 0.11068 -0.03031 0.07210 0.14237 202 2PY -0.10533 -0.02524 0.00222 0.05843 -0.02716 203 2PZ 0.09341 0.13335 -0.04886 0.06286 0.10223 204 3S 1.95402 0.67630 -0.66639 -0.50452 -0.60642 205 3PX 0.21409 -0.73719 0.08746 -0.01630 -0.88124 206 3PY 0.69222 0.37704 -0.11687 -0.13867 -0.29078 207 3PZ -0.30859 -1.63894 0.34399 0.00746 -1.57955 208 4XX 0.05705 -0.01880 -0.01811 0.05446 0.02599 209 4YY -0.06562 -0.01222 0.02924 -0.00483 0.00532 210 4ZZ -0.06286 0.02622 0.01898 -0.04975 -0.00620 211 4XY -0.02360 0.00304 0.01156 -0.08501 0.02809 212 4XZ 0.02720 -0.01737 -0.01224 0.07140 0.03714 213 4YZ -0.01296 0.04395 0.01602 0.04111 0.09019 214 23 H 1S -0.16851 0.23580 0.01934 -0.02339 0.53225 215 2S -0.40299 0.40812 -0.05745 0.17079 0.64210 126 127 128 129 130 V V V V V Eigenvalues -- 1.20917 1.22388 1.23320 1.27425 1.28330 1 1 C 1S 0.00716 -0.02534 0.00017 0.01524 0.00367 2 2S 0.34271 -0.22775 0.10926 0.11212 -0.06742 3 2PX -0.09470 -0.22251 0.12545 0.05904 0.13117 4 2PY -0.10356 0.14182 -0.11152 0.06081 -0.06752 5 2PZ -0.03063 -0.01210 -0.01556 0.04739 0.09614 6 3S -0.50348 1.50829 -1.33719 0.81095 -0.62046 7 3PX -0.14083 0.84257 -1.32668 0.71433 -0.36016 8 3PY 0.46964 0.08932 -0.90772 0.04905 2.63095 9 3PZ -0.20909 0.63412 -0.39513 0.32910 -0.93133 10 4XX 0.15362 -0.04213 -0.02266 0.14553 0.15211 11 4YY 0.05379 -0.02986 0.01048 -0.02248 -0.01264 12 4ZZ -0.17321 0.03769 -0.00094 -0.05215 -0.14186 13 4XY 0.03990 0.07889 0.01106 0.14515 0.03677 14 4XZ 0.00852 0.05930 -0.00750 -0.03842 -0.03303 15 4YZ -0.09009 -0.02815 -0.02702 -0.10441 0.02599 16 2 C 1S 0.00716 -0.02534 -0.00017 0.01524 -0.00367 17 2S 0.34274 -0.22776 -0.10924 0.11215 0.06737 18 2PX -0.09471 -0.22253 -0.12542 0.05898 -0.13118 19 2PY 0.10356 -0.14184 -0.11152 -0.06083 -0.06749 20 2PZ -0.03063 -0.01210 0.01556 0.04734 -0.09617 21 3S -0.50351 1.50848 1.33708 0.81124 0.62009 22 3PX -0.14076 0.84270 1.32664 0.71445 0.35979 23 3PY -0.46971 -0.08924 -0.90767 -0.04780 2.63096 24 3PZ -0.20907 0.63418 0.39509 0.32953 0.93118 25 4XX 0.15362 -0.04213 0.02266 0.14546 -0.15218 26 4YY 0.05379 -0.02987 -0.01048 -0.02247 0.01265 27 4ZZ -0.17321 0.03770 0.00095 -0.05208 0.14189 28 4XY -0.03990 -0.07888 0.01106 -0.14513 0.03683 29 4XZ 0.00853 0.05930 0.00749 -0.03841 0.03304 30 4YZ 0.09009 0.02815 -0.02701 0.10442 0.02594 31 3 C 1S -0.01524 0.01470 -0.00450 0.02117 0.00497 32 2S -0.43807 0.42958 -0.09562 0.61718 0.07588 33 2PX 0.00181 -0.09899 -0.22903 -0.08020 0.23006 34 2PY -0.11327 0.06969 -0.09359 0.11049 -0.03175 35 2PZ -0.07271 -0.05517 -0.30218 -0.07082 0.19906 36 3S 1.46601 -1.99786 0.34789 -1.65434 -0.84444 37 3PX 0.20781 0.74907 2.07041 0.68238 -1.72056 38 3PY 1.10399 -0.79824 -0.01693 -1.63231 -0.71675 39 3PZ 0.55498 0.67069 2.42953 0.65047 -1.99975 40 4XX -0.22268 0.04967 -0.01538 -0.07133 0.08966 41 4YY 0.00322 -0.01567 0.03236 0.04772 -0.02101 42 4ZZ 0.17689 -0.02381 -0.02102 0.07300 -0.08172 43 4XY -0.01159 -0.00794 -0.00366 0.03550 -0.03672 44 4XZ -0.02603 0.08059 -0.03583 0.01886 -0.04801 45 4YZ -0.03134 0.00353 -0.08020 -0.10401 0.06418 46 4 C 1S 0.01314 0.00013 0.02431 -0.00950 -0.02157 47 2S 0.21645 -0.03766 0.59526 -0.28647 -0.38723 48 2PX -0.01132 -0.05968 0.04114 0.10081 -0.01726 49 2PY 0.07296 -0.06802 0.07730 -0.19796 -0.03101 50 2PZ 0.02735 -0.07276 -0.00073 0.08588 -0.10180 51 3S -1.06475 -0.00234 -3.05304 -0.00201 2.01291 52 3PX 0.42846 -0.03013 0.23912 -0.61556 -0.34594 53 3PY -0.00073 0.32588 0.83405 0.95712 -1.39695 54 3PZ 0.44951 -0.06436 0.47703 -0.65666 -0.29842 55 4XX 0.07336 0.00577 0.01069 0.04060 -0.01724 56 4YY 0.04100 0.02102 -0.00233 -0.07144 -0.00662 57 4ZZ -0.11045 -0.02966 0.03815 0.03954 0.00914 58 4XY 0.14129 -0.09703 -0.03437 -0.02884 0.01824 59 4XZ 0.02783 0.06018 0.00794 -0.01510 -0.04413 60 4YZ -0.14940 0.08746 -0.06112 -0.03116 0.03250 61 5 C 1S 0.01314 0.00013 -0.02431 -0.00949 0.02157 62 2S 0.21642 -0.03771 -0.59528 -0.28627 0.38736 63 2PX -0.01133 -0.05969 -0.04113 0.10082 0.01722 64 2PY -0.07296 0.06803 0.07730 0.19795 -0.03110 65 2PZ 0.02735 -0.07275 0.00074 0.08593 0.10176 66 3S -1.06463 -0.00212 3.05307 -0.00309 -2.01296 67 3PX 0.42849 -0.03013 -0.23917 -0.61538 0.34624 68 3PY 0.00081 -0.32588 0.83403 -0.95778 -1.39653 69 3PZ 0.44953 -0.06440 -0.47707 -0.65651 0.29872 70 4XX 0.07336 0.00577 -0.01068 0.04061 0.01723 71 4YY 0.04100 0.02103 0.00232 -0.07143 0.00665 72 4ZZ -0.11045 -0.02966 -0.03814 0.03954 -0.00916 73 4XY -0.14130 0.09703 -0.03437 0.02885 0.01822 74 4XZ 0.02783 0.06019 -0.00794 -0.01508 0.04414 75 4YZ 0.14940 -0.08747 -0.06112 0.03118 0.03250 76 6 C 1S -0.01524 0.01470 0.00450 0.02117 -0.00498 77 2S -0.43806 0.42958 0.09562 0.61712 -0.07618 78 2PX 0.00182 -0.09897 0.22904 -0.08031 -0.23002 79 2PY 0.11326 -0.06970 -0.09359 -0.11050 -0.03170 80 2PZ -0.07270 -0.05515 0.30219 -0.07092 -0.19903 81 3S 1.46600 -1.99787 -0.34778 -1.65388 0.84527 82 3PX 0.20773 0.74894 -2.07046 0.68320 1.72029 83 3PY -1.10401 0.79821 -0.01691 1.63197 -0.71747 84 3PZ 0.55488 0.67055 -2.42959 0.65148 1.99947 85 4XX -0.22268 0.04967 0.01537 -0.07137 -0.08963 86 4YY 0.00322 -0.01567 -0.03236 0.04773 0.02099 87 4ZZ 0.17690 -0.02381 0.02102 0.07304 0.08169 88 4XY 0.01159 0.00793 -0.00366 -0.03552 -0.03670 89 4XZ -0.02603 0.08059 0.03583 0.01887 0.04799 90 4YZ 0.03134 -0.00354 -0.08019 0.10404 0.06413 91 7 H 1S -0.18293 0.06489 0.00978 0.10968 -0.41904 92 2S 0.15206 0.10313 -0.05210 0.14521 -0.62202 93 8 H 1S -0.18293 0.06490 -0.00978 0.10987 0.41899 94 2S 0.15208 0.10316 0.05209 0.14548 0.62195 95 9 H 1S -0.06023 0.08563 0.21491 0.23173 -0.25631 96 2S -0.11363 -0.03934 0.33392 0.49414 -0.35671 97 10 H 1S -0.06026 0.08562 -0.21490 0.23186 0.25620 98 2S -0.11366 -0.03935 -0.33388 0.49432 0.35650 99 11 O 1S -0.00634 -0.00658 0.00897 0.01677 0.00583 100 2S 0.05491 -0.22934 0.13452 0.08312 0.05247 101 2PX -0.07774 0.05760 0.07902 -0.03557 -0.01466 102 2PY 0.09900 -0.15428 -0.02178 -0.14170 -0.02556 103 2PZ 0.02185 0.04542 0.23214 0.01354 0.02298 104 3S 0.20636 0.42742 -0.43207 -0.75179 -0.29969 105 3PX 0.05600 -0.19994 -0.44437 0.02619 0.25956 106 3PY -0.12044 0.34196 -0.12175 0.05048 -0.01928 107 3PZ -0.10723 -0.18429 -0.79929 -0.22759 0.27976 108 4XX -0.04482 -0.04212 0.01512 0.02253 0.02657 109 4YY 0.00481 -0.06204 0.04514 0.02542 0.04432 110 4ZZ 0.05022 -0.06510 0.05288 0.05917 -0.01739 111 4XY -0.01323 0.00764 0.03061 -0.03189 0.02111 112 4XZ -0.01130 0.02792 -0.05019 -0.04002 -0.01635 113 4YZ 0.00182 0.03007 0.08819 0.07139 -0.03372 114 12 O 1S -0.00634 -0.00658 -0.00897 0.01677 -0.00583 115 2S 0.05490 -0.22936 -0.13448 0.08311 -0.05248 116 2PX -0.07775 0.05758 -0.07902 -0.03556 0.01467 117 2PY -0.09901 0.15428 -0.02179 0.14169 -0.02563 118 2PZ 0.02185 0.04539 -0.23214 0.01354 -0.02299 119 3S 0.20638 0.42749 0.43195 -0.75168 0.29997 120 3PX 0.05601 -0.19990 0.44439 0.02606 -0.25958 121 3PY 0.12044 -0.34198 -0.12171 -0.05048 -0.01924 122 3PZ -0.10721 -0.18422 0.79930 -0.22775 -0.27966 123 4XX -0.04482 -0.04212 -0.01511 0.02252 -0.02658 124 4YY 0.00481 -0.06204 -0.04513 0.02540 -0.04432 125 4ZZ 0.05022 -0.06511 -0.05287 0.05918 0.01737 126 4XY 0.01323 -0.00763 0.03061 0.03190 0.02109 127 4XZ -0.01129 0.02792 0.05018 -0.04001 0.01636 128 4YZ -0.00182 -0.03007 0.08819 -0.07141 -0.03368 129 13 C 1S -0.04721 -0.03954 0.00000 -0.06762 0.00002 130 2S -0.62373 -0.58056 0.00003 -0.91782 0.00022 131 2PX -0.01300 -0.06397 0.00000 -0.07339 0.00002 132 2PY 0.00000 -0.00001 -0.10202 -0.00004 -0.17882 133 2PZ 0.06137 0.25478 -0.00002 -0.19897 0.00004 134 3S 2.57690 3.81847 -0.00025 1.86575 -0.00051 135 3PX 0.53430 1.55530 -0.00010 -0.16073 0.00000 136 3PY 0.00001 0.00004 0.26285 0.00016 0.73597 137 3PZ -0.53665 -0.08748 0.00002 0.81141 -0.00019 138 4XX 0.00477 -0.01668 0.00000 -0.09101 0.00002 139 4YY -0.05141 0.10422 -0.00001 -0.05764 0.00001 140 4ZZ -0.05189 -0.12793 0.00001 -0.01690 0.00001 141 4XY 0.00000 0.00000 0.04155 -0.00001 -0.05123 142 4XZ 0.08228 0.02170 0.00000 -0.01695 0.00000 143 4YZ 0.00000 0.00000 -0.04260 0.00000 0.00535 144 14 H 1S -0.36172 -0.36260 0.00002 -0.09508 0.00003 145 2S -0.55204 -0.32915 0.00003 0.19077 -0.00003 146 15 H 1S 0.00059 0.10488 -0.00001 -0.32262 0.00007 147 2S -0.12800 0.23992 -0.00001 -0.34826 0.00008 148 16 C 1S 0.00327 0.01823 -0.02030 -0.01390 0.00050 149 2S 0.10923 0.45394 -0.38021 -0.47450 0.08775 150 2PX 0.02698 0.05032 -0.04319 -0.08470 0.02409 151 2PY -0.05843 0.13184 0.13830 -0.10226 0.16284 152 2PZ -0.11810 -0.01439 -0.03685 0.06991 0.03373 153 3S -0.56979 -2.34324 1.30571 0.76224 -0.27628 154 3PX 0.15923 0.10550 0.19679 0.59101 -0.36030 155 3PY -0.38876 -2.00630 -1.06800 0.24254 -1.69224 156 3PZ 0.79180 0.15536 -0.02844 0.16214 -1.08796 157 4XX -0.04002 -0.02955 0.02014 -0.03246 0.02958 158 4YY 0.02520 -0.02406 -0.09051 -0.00832 -0.06760 159 4ZZ 0.02376 0.05628 0.02087 -0.00975 0.01585 160 4XY -0.05835 -0.04053 -0.06931 0.00235 -0.00857 161 4XZ -0.06440 0.03047 -0.00187 -0.01894 0.13478 162 4YZ 0.01208 -0.04232 0.01981 0.03236 -0.00872 163 17 H 1S -0.07004 -0.19271 -0.37114 0.04474 -0.46229 164 2S 0.09633 -0.45693 -0.52847 -0.02558 -0.71541 165 18 C 1S 0.00004 -0.01642 0.00947 0.01665 0.00480 166 2S -0.04904 -0.49815 0.32051 0.28869 0.20382 167 2PX 0.06809 0.02253 0.03358 0.00113 0.04497 168 2PY -0.12802 -0.13883 -0.01018 0.04478 0.06408 169 2PZ 0.05647 0.04268 -0.06533 -0.01734 -0.03901 170 3S -0.58598 0.82485 -0.28680 -0.62174 1.14735 171 3PX -0.06674 -0.29656 -0.23896 0.13976 -0.50519 172 3PY 0.59808 0.89283 0.87046 -0.32126 0.52801 173 3PZ -0.16241 -1.05694 -0.00515 0.64792 -0.89865 174 4XX 0.08222 0.05770 -0.00940 -0.05553 -0.08216 175 4YY -0.03717 -0.09321 0.01638 0.08862 0.01426 176 4ZZ -0.02923 -0.00876 0.03167 -0.00440 0.09622 177 4XY -0.09848 -0.06490 -0.01298 -0.04549 0.00408 178 4XZ 0.10547 0.05075 0.03426 0.05107 -0.02006 179 4YZ -0.02055 0.01071 -0.01066 -0.01146 -0.00582 180 19 H 1S 0.09927 0.33585 0.20985 -0.19488 0.20480 181 2S 0.24407 0.37382 0.26585 -0.22485 0.31928 182 20 C 1S 0.00327 0.01823 0.02030 -0.01390 -0.00049 183 2S 0.10921 0.45399 0.38013 -0.47456 -0.08757 184 2PX 0.02697 0.05032 0.04318 -0.08471 -0.02405 185 2PY 0.05844 -0.13182 0.13832 0.10232 0.16279 186 2PZ -0.11810 -0.01439 0.03686 0.06990 -0.03376 187 3S -0.56974 -2.34337 -1.30535 0.76251 0.27611 188 3PX 0.15925 0.10550 -0.19680 0.59119 0.36003 189 3PY 0.38869 2.00611 -1.06827 -0.24328 -1.69221 190 3PZ 0.79184 0.15541 0.02841 0.16266 1.08790 191 4XX -0.04002 -0.02956 -0.02015 -0.03247 -0.02958 192 4YY 0.02520 -0.02404 0.09052 -0.00830 0.06761 193 4ZZ 0.02376 0.05628 -0.02088 -0.00976 -0.01584 194 4XY 0.05835 0.04051 -0.06932 -0.00235 -0.00856 195 4XZ -0.06440 0.03047 0.00187 -0.01899 -0.13478 196 4YZ -0.01208 0.04232 0.01980 -0.03237 -0.00871 197 21 H 1S -0.07002 -0.19265 0.37117 0.04493 0.46228 198 2S 0.09636 -0.45685 0.52851 -0.02528 0.71543 199 22 C 1S 0.00005 -0.01642 -0.00947 0.01665 -0.00481 200 2S -0.04902 -0.49818 -0.32044 0.28865 -0.20391 201 2PX 0.06809 0.02252 -0.03359 0.00111 -0.04497 202 2PY 0.12802 0.13883 -0.01021 -0.04474 0.06409 203 2PZ 0.05647 0.04269 0.06533 -0.01733 0.03901 204 3S -0.58612 0.82477 0.28669 -0.62246 -1.14715 205 3PX -0.06673 -0.29650 0.23900 0.13999 0.50515 206 3PY -0.59804 -0.89269 0.87060 0.32151 0.52790 207 3PZ -0.16237 -1.05686 0.00531 0.64839 0.89843 208 4XX 0.08222 0.05770 0.00938 -0.05549 0.08219 209 4YY -0.03717 -0.09321 -0.01637 0.08861 -0.01429 210 4ZZ -0.02923 -0.00876 -0.03167 -0.00444 -0.09623 211 4XY 0.09848 0.06490 -0.01300 0.04549 0.00404 212 4XZ 0.10547 0.05075 -0.03427 0.05108 0.02004 213 4YZ 0.02055 -0.01071 -0.01065 0.01146 -0.00582 214 23 H 1S 0.09927 0.33581 -0.20990 -0.19497 -0.20472 215 2S 0.24407 0.37377 -0.26591 -0.22499 -0.31920 131 132 133 134 135 V V V V V Eigenvalues -- 1.34147 1.35789 1.40069 1.40792 1.41784 1 1 C 1S -0.01574 0.02333 -0.02973 -0.01814 -0.01356 2 2S -0.66052 0.45963 -0.49591 -0.54870 -0.15845 3 2PX 0.02795 -0.11109 0.07643 0.09857 0.09528 4 2PY -0.01715 -0.09476 -0.09598 -0.04572 -0.11279 5 2PZ -0.08717 0.10479 -0.08434 -0.14793 0.13883 6 3S 3.48288 -0.81714 1.28658 1.21765 1.75531 7 3PX 1.11004 0.17042 -0.31903 0.35213 0.12998 8 3PY -0.59066 0.11565 0.82629 0.44771 0.89003 9 3PZ 1.27176 -0.32576 -0.04216 0.71799 -0.02515 10 4XX -0.06905 -0.01063 0.03979 0.01970 -0.06907 11 4YY 0.00232 0.08991 0.01859 0.00101 0.02001 12 4ZZ 0.06912 -0.06475 -0.11419 -0.02973 0.01514 13 4XY 0.03779 -0.03700 0.03159 -0.03578 0.06875 14 4XZ -0.02851 -0.00026 0.00723 -0.09301 -0.02722 15 4YZ 0.03332 0.02803 -0.00003 -0.00038 0.10432 16 2 C 1S 0.01574 0.02333 -0.02974 0.01813 -0.01355 17 2S 0.66051 0.45963 -0.49612 0.54858 -0.15819 18 2PX -0.02795 -0.11110 0.07645 -0.09857 0.09526 19 2PY -0.01716 0.09476 0.09600 -0.04571 0.11277 20 2PZ 0.08717 0.10479 -0.08440 0.14786 0.13887 21 3S -3.48285 -0.81712 1.28710 -1.21774 1.75433 22 3PX -1.11002 0.17044 -0.31881 -0.35230 0.12968 23 3PY -0.59065 -0.11557 -0.82649 0.44767 -0.88969 24 3PZ -1.27174 -0.32572 -0.04186 -0.71802 -0.02547 25 4XX 0.06905 -0.01063 0.03979 -0.01967 -0.06903 26 4YY -0.00232 0.08991 0.01859 -0.00101 0.02000 27 4ZZ -0.06912 -0.06474 -0.11419 0.02969 0.01511 28 4XY 0.03779 0.03700 -0.03158 -0.03576 -0.06875 29 4XZ 0.02851 -0.00026 0.00720 0.09303 -0.02718 30 4YZ 0.03332 -0.02803 0.00003 -0.00036 -0.10431 31 3 C 1S -0.01951 -0.00398 -0.01022 0.00252 0.00772 32 2S -0.58792 -0.09526 -0.32748 0.19758 0.18175 33 2PX 0.16974 0.06782 0.00436 -0.08636 -0.14851 34 2PY -0.15614 0.01455 -0.08611 0.05769 0.02253 35 2PZ -0.09812 -0.03519 -0.04163 0.09250 -0.01723 36 3S 1.73762 0.77516 0.03531 0.23014 -0.56083 37 3PX -1.39924 -0.33725 0.40594 -0.42402 1.30650 38 3PY 0.69566 0.00024 1.19508 -0.22815 -0.34925 39 3PZ -0.57831 0.10568 0.67986 -0.75713 0.93605 40 4XX -0.10321 0.08098 0.01674 -0.03454 -0.05265 41 4YY 0.03727 0.04882 -0.00347 -0.02306 -0.06722 42 4ZZ 0.06137 -0.13897 -0.05168 0.05375 0.11559 43 4XY 0.02040 0.14254 0.06059 -0.10734 -0.20296 44 4XZ -0.10912 0.00213 0.08929 0.07285 -0.00473 45 4YZ -0.06320 -0.11587 0.00330 0.03259 0.12249 46 4 C 1S -0.01284 0.00049 0.01129 -0.00627 0.00486 47 2S -0.48728 -0.01870 0.10451 0.03475 -0.05927 48 2PX 0.14694 0.02735 0.04639 -0.02454 0.08348 49 2PY -0.08787 0.03062 0.05792 0.06570 -0.10445 50 2PZ 0.10540 0.06213 -0.00084 -0.01888 0.07170 51 3S 1.26893 -0.08855 -0.75692 0.40622 -1.03873 52 3PX -0.66803 0.00125 0.37375 -0.21481 -0.23985 53 3PY 0.23765 0.00236 -0.05197 -0.27446 0.89797 54 3PZ -1.04839 -0.07713 0.39301 -0.24259 -0.10072 55 4XX 0.05698 -0.17917 -0.02146 0.03176 0.18257 56 4YY -0.01531 -0.03055 0.04076 0.01402 -0.01850 57 4ZZ -0.07719 0.21160 -0.02838 -0.04887 -0.15491 58 4XY -0.00728 -0.03216 -0.16348 0.01707 0.06407 59 4XZ -0.05097 -0.07548 0.10184 0.01654 0.02533 60 4YZ -0.06376 0.00442 0.14185 0.02149 -0.10781 61 5 C 1S 0.01284 0.00049 0.01128 0.00628 0.00486 62 2S 0.48728 -0.01869 0.10451 -0.03469 -0.05936 63 2PX -0.14694 0.02734 0.04639 0.02453 0.08350 64 2PY -0.08787 -0.03063 -0.05795 0.06564 0.10448 65 2PZ -0.10540 0.06213 -0.00085 0.01886 0.07171 66 3S -1.26888 -0.08856 -0.75670 -0.40617 -1.03832 67 3PX 0.66801 0.00125 0.37364 0.21502 -0.23995 68 3PY 0.23766 -0.00241 0.05210 -0.27416 -0.89853 69 3PZ 1.04837 -0.07713 0.39287 0.24276 -0.10081 70 4XX -0.05698 -0.17917 -0.02146 -0.03183 0.18257 71 4YY 0.01531 -0.03055 0.04076 -0.01400 -0.01850 72 4ZZ 0.07718 0.21160 -0.02840 0.04891 -0.15491 73 4XY -0.00728 0.03216 0.16347 0.01714 -0.06405 74 4XZ 0.05097 -0.07548 0.10185 -0.01651 0.02533 75 4YZ -0.06377 -0.00442 -0.14185 0.02141 0.10781 76 6 C 1S 0.01951 -0.00398 -0.01022 -0.00253 0.00773 77 2S 0.58795 -0.09525 -0.32741 -0.19777 0.18175 78 2PX -0.16974 0.06781 0.00433 0.08641 -0.14851 79 2PY -0.15615 -0.01455 0.08609 0.05773 -0.02252 80 2PZ 0.09812 -0.03519 -0.04159 -0.09251 -0.01729 81 3S -1.73772 0.77515 0.03541 -0.22993 -0.56147 82 3PX 1.39923 -0.33721 0.40574 0.42375 1.30690 83 3PY 0.69573 -0.00026 -1.19497 -0.22870 0.34936 84 3PZ 0.57829 0.10571 0.67950 0.75708 0.93657 85 4XX 0.10321 0.08098 0.01672 0.03457 -0.05261 86 4YY -0.03727 0.04881 -0.00347 0.02307 -0.06724 87 4ZZ -0.06136 -0.13897 -0.05166 -0.05381 0.11556 88 4XY 0.02040 -0.14254 -0.06055 -0.10742 0.20297 89 4XZ 0.10912 0.00214 0.08932 -0.07282 -0.00476 90 4YZ -0.06320 0.11587 -0.00331 0.03262 -0.12253 91 7 H 1S 0.21403 0.05260 -0.24929 -0.00344 -0.07721 92 2S 0.11967 -0.00113 -0.23768 0.10327 -0.39422 93 8 H 1S -0.21403 0.05261 -0.24929 0.00337 -0.07716 94 2S -0.11967 -0.00110 -0.23764 -0.10325 -0.39421 95 9 H 1S 0.17201 0.00032 -0.07881 0.03126 0.18451 96 2S 0.33817 0.07107 -0.16887 0.00427 0.33933 97 10 H 1S -0.17201 0.00033 -0.07879 -0.03135 0.18456 98 2S -0.33817 0.07107 -0.16885 -0.00443 0.33943 99 11 O 1S 0.00574 0.01029 -0.02367 0.00351 0.00408 100 2S 0.12398 0.24897 -0.26869 -0.00238 0.03589 101 2PX -0.16554 -0.03995 0.02369 0.02265 -0.02262 102 2PY 0.02678 0.09541 0.02624 -0.03571 -0.00904 103 2PZ -0.03674 0.00907 -0.01691 -0.03964 -0.02116 104 3S -0.23020 -0.62690 1.20539 -0.17072 -0.19383 105 3PX 0.51253 0.20006 -0.11516 -0.01709 -0.25559 106 3PY -0.13820 -0.24784 0.24462 -0.01101 -0.04654 107 3PZ 0.12875 -0.11093 -0.03964 0.17805 -0.05252 108 4XX 0.03198 0.09564 -0.04835 -0.03460 -0.05711 109 4YY 0.01794 0.04518 -0.10004 0.00908 0.06356 110 4ZZ 0.04916 0.04511 -0.08764 0.03075 0.02965 111 4XY -0.07717 -0.07951 -0.03923 0.05742 0.14575 112 4XZ -0.05800 -0.03751 0.10567 0.01057 0.04407 113 4YZ -0.01281 0.08265 0.02446 -0.04066 -0.07381 114 12 O 1S -0.00574 0.01029 -0.02367 -0.00352 0.00408 115 2S -0.12398 0.24896 -0.26869 0.00227 0.03585 116 2PX 0.16554 -0.03995 0.02370 -0.02263 -0.02264 117 2PY 0.02679 -0.09541 -0.02623 -0.03572 0.00904 118 2PZ 0.03674 0.00907 -0.01693 0.03964 -0.02114 119 3S 0.23020 -0.62687 1.20530 0.17124 -0.19366 120 3PX -0.51253 0.20005 -0.11515 0.01713 -0.25562 121 3PY -0.13822 0.24783 -0.24462 -0.01111 0.04648 122 3PZ -0.12874 -0.11093 -0.03956 -0.17805 -0.05260 123 4XX -0.03197 0.09563 -0.04836 0.03460 -0.05711 124 4YY -0.01794 0.04518 -0.10004 -0.00914 0.06356 125 4ZZ -0.04916 0.04511 -0.08763 -0.03079 0.02962 126 4XY -0.07717 0.07951 0.03922 0.05747 -0.14576 127 4XZ 0.05800 -0.03750 0.10568 -0.01054 0.04408 128 4YZ -0.01281 -0.08265 -0.02444 -0.04069 0.07382 129 13 C 1S 0.00000 0.00829 -0.04017 -0.00001 0.02111 130 2S -0.00001 -0.00532 -0.53414 -0.00010 0.22065 131 2PX 0.00000 -0.21350 0.08652 0.00001 0.02197 132 2PY 0.00195 0.00000 0.00001 -0.08161 0.00000 133 2PZ 0.00000 0.06685 -0.09942 -0.00002 -0.00680 134 3S 0.00004 -0.63407 1.44766 0.00021 -0.59120 135 3PX -0.00001 0.75221 -0.32448 -0.00008 0.07457 136 3PY -0.31841 0.00003 0.00003 -0.19015 0.00006 137 3PZ 0.00003 -0.78577 0.31219 0.00003 -0.09742 138 4XX 0.00000 0.05080 -0.05107 0.00000 -0.01173 139 4YY 0.00000 0.02533 0.00687 -0.00002 0.09642 140 4ZZ 0.00000 -0.08648 -0.01715 0.00001 -0.05772 141 4XY -0.00865 0.00000 -0.00001 0.03897 0.00005 142 4XZ 0.00000 -0.05470 -0.00407 0.00001 -0.07385 143 4YZ -0.04522 0.00000 0.00004 -0.21253 -0.00007 144 14 H 1S 0.00000 -0.10649 -0.07542 -0.00001 0.02472 145 2S 0.00001 -0.19443 -0.08264 -0.00004 0.17238 146 15 H 1S -0.00001 0.23284 -0.22592 -0.00005 0.12638 147 2S -0.00001 0.39376 -0.39275 -0.00007 0.06935 148 16 C 1S 0.00711 -0.03145 0.03838 0.00200 -0.00206 149 2S 0.39650 -0.25719 0.43272 0.21268 -0.11473 150 2PX 0.19100 -0.01824 0.05124 0.06647 -0.08638 151 2PY -0.01143 -0.11361 -0.06100 0.03563 0.04925 152 2PZ -0.13054 0.00592 -0.04371 -0.14804 0.01314 153 3S -0.52810 0.86512 -1.34969 -2.51719 0.28167 154 3PX -0.07227 -0.13927 -0.11556 -0.05350 -0.04117 155 3PY -0.11072 0.20189 0.67588 -1.46822 -0.06310 156 3PZ 0.39915 0.28048 0.36012 -0.94560 0.15993 157 4XX -0.10226 0.06491 0.05678 -0.00732 0.12515 158 4YY 0.05976 -0.00035 -0.00437 0.02592 -0.03547 159 4ZZ 0.04292 -0.10687 -0.01107 -0.06044 -0.08149 160 4XY -0.07495 0.11495 0.01034 -0.29416 0.07783 161 4XZ -0.00793 0.14780 0.06111 -0.08034 0.15277 162 4YZ 0.04058 -0.02344 0.02263 0.03994 -0.04746 163 17 H 1S -0.05105 -0.16087 0.35951 -0.14172 0.01001 164 2S 0.08618 0.06837 0.46276 -0.34452 -0.08812 165 18 C 1S 0.01815 -0.00041 0.00827 -0.05854 -0.00396 166 2S 0.50668 -0.08393 0.16927 -1.01744 -0.06701 167 2PX 0.16046 0.04129 0.02509 0.02341 0.00595 168 2PY -0.03241 -0.09509 0.12189 0.02990 -0.02146 169 2PZ -0.01024 0.15481 -0.11323 0.05703 0.04826 170 3S -1.41858 -0.53247 0.14679 5.74537 -0.14932 171 3PX -0.36683 -0.01233 0.17928 -0.67247 0.00665 172 3PY -0.08242 0.38607 -0.62411 2.04528 0.16858 173 3PZ -0.09151 -0.10985 0.40033 -2.44039 -0.11508 174 4XX -0.03350 -0.02544 -0.00846 0.11262 -0.07215 175 4YY 0.00639 -0.04744 0.04012 0.00763 -0.00567 176 4ZZ 0.04590 0.09360 -0.02744 -0.13986 0.06567 177 4XY 0.00224 -0.21855 -0.26802 -0.06234 -0.18392 178 4XZ 0.08391 -0.15501 0.00370 0.11807 -0.20244 179 4YZ -0.02048 -0.02919 0.16203 -0.01187 0.03036 180 19 H 1S 0.09675 0.02279 -0.14559 0.23185 0.04483 181 2S 0.26719 0.22513 -0.31508 0.57897 0.11270 182 20 C 1S -0.00710 -0.03145 0.03838 -0.00199 -0.00206 183 2S -0.39650 -0.25718 0.43279 -0.21251 -0.11475 184 2PX -0.19100 -0.01824 0.05127 -0.06643 -0.08641 185 2PY -0.01143 0.11362 0.06099 0.03567 -0.04925 186 2PZ 0.13055 0.00591 -0.04376 0.14802 0.01316 187 3S 0.52807 0.86500 -1.35050 2.51677 0.28205 188 3PX 0.07229 -0.13925 -0.11559 0.05345 -0.04112 189 3PY -0.11071 -0.20192 -0.67546 -1.46856 0.06290 190 3PZ -0.39917 0.28050 0.35982 0.94569 0.16026 191 4XX 0.10226 0.06491 0.05679 0.00731 0.12508 192 4YY -0.05976 -0.00034 -0.00436 -0.02590 -0.03546 193 4ZZ -0.04292 -0.10688 -0.01110 0.06045 -0.08142 194 4XY -0.07495 -0.11495 -0.01023 -0.29416 -0.07793 195 4XZ 0.00793 0.14779 0.06108 0.08032 0.15274 196 4YZ 0.04058 0.02344 -0.02265 0.03992 0.04751 197 21 H 1S 0.05105 -0.16085 0.35947 0.14184 0.01005 198 2S -0.08619 0.06841 0.46266 0.34472 -0.08806 199 22 C 1S -0.01815 -0.00041 0.00825 0.05854 -0.00395 200 2S -0.50669 -0.08399 0.16891 1.01753 -0.06675 201 2PX -0.16046 0.04128 0.02510 -0.02340 0.00597 202 2PY -0.03241 0.09509 -0.12190 0.02985 0.02145 203 2PZ 0.01024 0.15481 -0.11321 -0.05708 0.04825 204 3S 1.41863 -0.53230 0.14867 -5.74532 -0.15055 205 3PX 0.36684 -0.01232 0.17908 0.67255 0.00675 206 3PY -0.08239 -0.38611 0.62349 2.04557 -0.16829 207 3PZ 0.09152 -0.10988 0.39956 2.44059 -0.11461 208 4XX 0.03350 -0.02543 -0.00842 -0.11260 -0.07217 209 4YY -0.00639 -0.04744 0.04012 -0.00761 -0.00567 210 4ZZ -0.04589 0.09360 -0.02749 0.13984 0.06569 211 4XY 0.00223 0.21855 0.26804 -0.06229 0.18389 212 4XZ -0.08391 -0.15501 0.00374 -0.11802 -0.20242 213 4YZ -0.02048 0.02919 -0.16202 -0.01191 -0.03036 214 23 H 1S -0.09676 0.02278 -0.14552 -0.23192 0.04481 215 2S -0.26721 0.22513 -0.31492 -0.57912 0.11264 136 137 138 139 140 V V V V V Eigenvalues -- 1.42123 1.43717 1.45359 1.48633 1.52252 1 1 C 1S 0.03145 -0.02108 -0.00514 -0.00937 0.01826 2 2S 0.35386 -0.33639 0.03217 -0.16392 0.25273 3 2PX 0.00593 0.07038 -0.06516 0.05225 -0.14008 4 2PY 0.03722 0.03044 0.00842 0.02392 0.11681 5 2PZ 0.02937 0.03269 0.04779 -0.07986 -0.00563 6 3S -2.14624 0.87836 0.35429 0.66563 -1.00680 7 3PX -0.78202 -0.27353 0.22153 0.17801 0.16806 8 3PY -0.61939 0.20481 -0.32998 0.16563 -0.51293 9 3PZ -0.46546 -0.04887 -0.22183 0.30075 0.07600 10 4XX 0.12268 0.12151 -0.05939 -0.17339 0.08418 11 4YY -0.00861 -0.01592 0.01390 -0.00552 0.02829 12 4ZZ -0.10413 -0.15222 0.04929 0.18995 -0.07970 13 4XY -0.03027 -0.00433 -0.01136 0.07720 -0.38210 14 4XZ 0.05116 0.10115 -0.00314 -0.10480 0.17788 15 4YZ -0.03566 0.00039 0.04242 0.02818 0.10980 16 2 C 1S -0.03146 -0.02108 0.00514 -0.00937 0.01825 17 2S -0.35387 -0.33642 -0.03215 -0.16391 0.25271 18 2PX -0.00591 0.07038 0.06515 0.05224 -0.14007 19 2PY 0.03725 -0.03044 0.00842 -0.02392 -0.11681 20 2PZ -0.02932 0.03269 -0.04780 -0.07986 -0.00563 21 3S 2.14666 0.87850 -0.35438 0.66558 -1.00676 22 3PX 0.78211 -0.27347 -0.22152 0.17803 0.16797 23 3PY -0.61960 -0.20481 -0.32994 -0.16566 0.51295 24 3PZ 0.46546 -0.04884 0.22182 0.30079 0.07591 25 4XX -0.12271 0.12150 0.05939 -0.17338 0.08416 26 4YY 0.00862 -0.01592 -0.01390 -0.00552 0.02829 27 4ZZ 0.10415 -0.15220 -0.04928 0.18994 -0.07968 28 4XY -0.03028 0.00433 -0.01136 -0.07720 0.38211 29 4XZ -0.05117 0.10115 0.00314 -0.10480 0.17788 30 4YZ -0.03570 -0.00039 0.04243 -0.02818 -0.10980 31 3 C 1S 0.01372 -0.00263 -0.00881 0.00676 -0.00490 32 2S 0.16717 0.05546 -0.10381 0.09389 0.19350 33 2PX -0.08453 -0.02985 -0.04736 -0.01522 -0.02113 34 2PY -0.00038 0.01709 -0.02328 0.01062 0.01407 35 2PZ -0.12553 -0.02197 0.02673 -0.03014 0.04501 36 3S -1.92036 -0.93854 0.67134 -0.54675 -0.98877 37 3PX 0.95115 0.24354 0.38168 0.34632 -0.53583 38 3PY -0.54331 0.54399 0.45611 -0.25994 0.18869 39 3PZ 1.02460 0.23273 0.22027 0.30179 -0.62521 40 4XX 0.10558 -0.14084 -0.23203 0.11028 0.04176 41 4YY -0.08952 0.01295 -0.07034 -0.01634 -0.01697 42 4ZZ -0.02190 0.09868 0.30093 -0.08701 -0.03861 43 4XY -0.14710 0.11344 -0.22504 0.00447 -0.02462 44 4XZ -0.04285 0.14382 -0.05601 0.00120 0.02913 45 4YZ 0.16811 -0.15178 0.15766 0.07913 0.09163 46 4 C 1S -0.01267 -0.00047 0.00772 0.00265 -0.00740 47 2S -0.28173 -0.03114 0.19883 -0.02141 -0.03227 48 2PX 0.06391 -0.05667 0.02837 -0.07074 -0.05988 49 2PY -0.02917 -0.04303 0.02224 -0.00937 0.00081 50 2PZ 0.01532 0.04471 -0.08250 0.10349 -0.03068 51 3S 1.79193 -0.10241 -1.08460 -0.13144 0.83128 52 3PX -0.57998 0.06854 0.49611 -0.02730 -0.05371 53 3PY 1.58867 0.07444 -0.09115 0.15117 -0.42873 54 3PZ -0.52233 0.05715 0.58391 -0.06928 -0.07732 55 4XX 0.06821 -0.16040 0.25576 -0.25242 0.00758 56 4YY 0.00883 0.04619 0.00917 -0.01892 0.01361 57 4ZZ -0.07858 0.09454 -0.26000 0.28105 -0.03957 58 4XY -0.02688 0.16944 0.05678 0.27740 0.12324 59 4XZ 0.01822 0.06808 0.04220 0.00941 0.03414 60 4YZ 0.00152 -0.14740 -0.01508 -0.25121 -0.02974 61 5 C 1S 0.01267 -0.00047 -0.00772 0.00265 -0.00740 62 2S 0.28171 -0.03114 -0.19883 -0.02142 -0.03227 63 2PX -0.06388 -0.05667 -0.02837 -0.07073 -0.05988 64 2PY -0.02914 0.04303 0.02223 0.00937 -0.00081 65 2PZ -0.01530 0.04471 0.08250 0.10349 -0.03068 66 3S -1.79220 -0.10245 1.08463 -0.13142 0.83132 67 3PX 0.57987 0.06855 -0.49611 -0.02732 -0.05370 68 3PY 1.58841 -0.07439 -0.09114 -0.15116 0.42871 69 3PZ 0.52228 0.05715 -0.58392 -0.06930 -0.07733 70 4XX -0.06814 -0.16041 -0.25576 -0.25242 0.00759 71 4YY -0.00884 0.04618 -0.00917 -0.01893 0.01361 72 4ZZ 0.07852 0.09455 0.26000 0.28106 -0.03958 73 4XY -0.02690 -0.16944 0.05679 -0.27740 -0.12324 74 4XZ -0.01822 0.06808 -0.04221 0.00940 0.03414 75 4YZ 0.00155 0.14740 -0.01509 0.25121 0.02974 76 6 C 1S -0.01371 -0.00263 0.00881 0.00676 -0.00490 77 2S -0.16710 0.05546 0.10381 0.09388 0.19351 78 2PX 0.08449 -0.02985 0.04736 -0.01522 -0.02113 79 2PY -0.00039 -0.01709 -0.02328 -0.01062 -0.01407 80 2PZ 0.12553 -0.02197 -0.02673 -0.03014 0.04501 81 3S 1.92024 -0.93846 -0.67127 -0.54675 -0.98885 82 3PX -0.95078 0.24350 -0.38173 0.34629 -0.53579 83 3PY -0.54314 -0.54400 0.45613 0.25995 -0.18865 84 3PZ -1.02437 0.23268 -0.22030 0.30178 -0.62521 85 4XX -0.10558 -0.14084 0.23204 0.11029 0.04174 86 4YY 0.08949 0.01296 0.07033 -0.01635 -0.01696 87 4ZZ 0.02193 0.09868 -0.30094 -0.08702 -0.03859 88 4XY -0.14704 -0.11347 -0.22504 -0.00446 0.02461 89 4XZ 0.04284 0.14382 0.05600 0.00120 0.02914 90 4YZ 0.16807 0.15180 0.15766 -0.07913 -0.09162 91 7 H 1S 0.14518 -0.08484 -0.03208 -0.03428 0.09253 92 2S 0.08632 -0.21908 -0.03500 0.07658 0.28636 93 8 H 1S -0.14519 -0.08484 0.03209 -0.03428 0.09251 94 2S -0.08641 -0.21908 0.03502 0.07660 0.28632 95 9 H 1S 0.18925 0.01239 -0.04802 0.01329 -0.04256 96 2S 0.34496 -0.05681 -0.15006 0.05667 -0.13249 97 10 H 1S -0.18919 0.01239 0.04802 0.01330 -0.04256 98 2S -0.34485 -0.05682 0.15005 0.05668 -0.13249 99 11 O 1S -0.00868 -0.02741 -0.00312 0.00203 -0.01765 100 2S -0.13674 -0.48621 -0.05121 -0.01281 -0.42485 101 2PX -0.06315 0.03700 -0.02734 -0.00510 0.02259 102 2PY -0.03390 -0.09044 -0.01895 -0.02059 -0.15047 103 2PZ 0.03054 -0.03912 0.04093 0.02018 0.02749 104 3S 0.40219 1.49816 0.18672 -0.02795 1.14165 105 3PX -0.12105 -0.09815 -0.11933 -0.05413 -0.00769 106 3PY 0.19198 0.51205 0.01412 0.03182 0.45748 107 3PZ -0.10489 -0.00337 0.00588 -0.05059 0.12663 108 4XX -0.03311 -0.11890 -0.14175 0.04421 -0.06412 109 4YY 0.00997 -0.19483 0.03141 0.01084 -0.11765 110 4ZZ -0.08218 -0.05560 0.06827 -0.04878 -0.11155 111 4XY 0.10140 -0.07887 0.13000 0.03398 0.02745 112 4XZ 0.04841 0.05558 0.00944 0.03701 0.02561 113 4YZ -0.08450 0.09117 -0.13644 -0.03625 -0.10924 114 12 O 1S 0.00869 -0.02741 0.00312 0.00203 -0.01765 115 2S 0.13679 -0.48620 0.05124 -0.01281 -0.42485 116 2PX 0.06314 0.03700 0.02734 -0.00510 0.02260 117 2PY -0.03390 0.09043 -0.01896 0.02059 0.15047 118 2PZ -0.03054 -0.03913 -0.04093 0.02018 0.02748 119 3S -0.40238 1.49813 -0.18679 -0.02795 1.14164 120 3PX 0.12098 -0.09813 0.11934 -0.05413 -0.00769 121 3PY 0.19203 -0.51204 0.01415 -0.03182 -0.45748 122 3PZ 0.10488 -0.00336 -0.00588 -0.05059 0.12663 123 4XX 0.03310 -0.11890 0.14175 0.04422 -0.06413 124 4YY -0.00993 -0.19484 -0.03140 0.01084 -0.11765 125 4ZZ 0.08219 -0.05560 -0.06827 -0.04878 -0.11154 126 4XY 0.10135 0.07889 0.13001 -0.03398 -0.02744 127 4XZ -0.04841 0.05557 -0.00945 0.03701 0.02561 128 4YZ -0.08447 -0.09118 -0.13644 0.03625 0.10923 129 13 C 1S 0.00000 0.03748 0.00000 -0.01515 -0.04336 130 2S 0.00002 0.57486 -0.00001 -0.25308 -0.66125 131 2PX -0.00001 0.27217 0.00000 -0.08025 -0.14721 132 2PY -0.04434 0.00000 0.03510 0.00000 0.00000 133 2PZ 0.00000 -0.03524 0.00000 0.05132 -0.09552 134 3S -0.00008 -0.98701 0.00003 0.67217 1.45371 135 3PX 0.00005 -0.66611 0.00001 0.20168 0.23729 136 3PY -0.50066 0.00000 0.07522 -0.00001 0.00002 137 3PZ -0.00004 0.25645 0.00000 -0.00296 0.47676 138 4XX 0.00000 -0.05954 0.00000 0.02022 0.03630 139 4YY 0.00001 0.08394 0.00000 0.01252 -0.12396 140 4ZZ -0.00001 0.03405 0.00000 -0.04174 0.03434 141 4XY -0.29201 -0.00001 0.11807 0.00000 0.00001 142 4XZ -0.00001 -0.00773 0.00000 -0.03408 0.10116 143 4YZ 0.27122 0.00001 -0.07902 0.00000 -0.00001 144 14 H 1S 0.00000 0.18120 0.00000 -0.03173 -0.06840 145 2S 0.00001 0.23931 0.00000 -0.09717 -0.04962 146 15 H 1S 0.00002 0.10296 0.00000 -0.10393 -0.21404 147 2S 0.00003 -0.23913 0.00000 0.05454 -0.04803 148 16 C 1S 0.01266 0.01399 0.00052 0.01222 -0.00832 149 2S 0.07966 0.15196 -0.12558 0.09451 -0.09560 150 2PX -0.02321 -0.02725 -0.05622 0.02244 -0.02888 151 2PY 0.03906 0.13174 0.02252 0.00980 -0.16191 152 2PZ -0.05782 -0.01778 0.04137 0.00464 0.03105 153 3S -0.75194 -0.17683 1.05816 -0.50178 -0.21010 154 3PX 0.11014 -0.08820 0.08035 -0.02201 0.24755 155 3PY -0.63926 -0.19829 0.34367 0.03826 0.06655 156 3PZ 0.21918 -0.14456 0.36047 0.03050 -0.04069 157 4XX -0.20887 0.11791 0.08721 -0.04527 -0.07005 158 4YY 0.03375 -0.03364 -0.01859 -0.03771 0.11867 159 4ZZ 0.18401 -0.04577 -0.04767 0.07937 -0.05396 160 4XY 0.07205 -0.00192 0.01915 -0.01888 0.07287 161 4XZ -0.16922 0.05144 0.07602 -0.03274 0.00456 162 4YZ -0.14626 -0.03096 0.04654 -0.01845 0.01414 163 17 H 1S -0.02914 0.04095 0.01081 0.14009 -0.12136 164 2S -0.14716 -0.10513 0.01956 0.03704 0.13865 165 18 C 1S -0.00675 -0.00111 0.01794 0.00064 0.00327 166 2S -0.01110 -0.09109 0.35092 -0.00924 -0.01023 167 2PX 0.09267 -0.11167 -0.04372 0.04666 -0.05031 168 2PY 0.03416 0.02510 -0.01878 0.04202 -0.00036 169 2PZ 0.00039 -0.01539 -0.04871 -0.06917 0.02175 170 3S 0.79697 0.26489 -1.96217 0.19514 0.15887 171 3PX -0.26506 0.02578 0.31631 -0.00278 0.15598 172 3PY 0.79674 0.03533 -0.68452 -0.15725 -0.27679 173 3PZ -0.54916 -0.20561 1.03068 0.05772 0.23313 174 4XX 0.04677 0.01089 -0.06555 0.05415 -0.05994 175 4YY 0.01493 -0.02141 -0.00049 0.01901 0.05537 176 4ZZ -0.06590 0.02853 0.06938 -0.09533 0.03471 177 4XY 0.05342 0.11961 -0.00179 -0.13393 -0.09827 178 4XZ 0.15329 -0.16931 -0.08567 0.13734 0.01115 179 4YZ 0.00064 -0.01658 0.00538 0.13508 -0.05491 180 19 H 1S 0.14765 0.10334 -0.12455 0.02153 -0.21009 181 2S 0.30262 0.02906 -0.25907 -0.11501 -0.16594 182 20 C 1S -0.01266 0.01399 -0.00052 0.01222 -0.00832 183 2S -0.07972 0.15196 0.12558 0.09450 -0.09561 184 2PX 0.02319 -0.02724 0.05623 0.02244 -0.02889 185 2PY 0.03905 -0.13173 0.02252 -0.00980 0.16191 186 2PZ 0.05783 -0.01777 -0.04137 0.00464 0.03104 187 3S 0.75208 -0.17684 -1.05817 -0.50172 -0.21016 188 3PX -0.11015 -0.08820 -0.08035 -0.02202 0.24757 189 3PY -0.63923 0.19822 0.34366 -0.03828 -0.06651 190 3PZ -0.21913 -0.14456 -0.36047 0.03050 -0.04070 191 4XX 0.20889 0.11792 -0.08722 -0.04527 -0.07006 192 4YY -0.03376 -0.03364 0.01860 -0.03772 0.11867 193 4ZZ -0.18403 -0.04578 0.04768 0.07936 -0.05395 194 4XY 0.07203 0.00193 0.01916 0.01888 -0.07287 195 4XZ 0.16926 0.05144 -0.07603 -0.03274 0.00454 196 4YZ -0.14624 0.03096 0.04654 0.01844 -0.01412 197 21 H 1S 0.02912 0.04096 -0.01081 0.14009 -0.12136 198 2S 0.14712 -0.10510 -0.01955 0.03704 0.13863 199 22 C 1S 0.00675 -0.00111 -0.01794 0.00064 0.00327 200 2S 0.01108 -0.09111 -0.35092 -0.00922 -0.01027 201 2PX -0.09266 -0.11167 0.04372 0.04666 -0.05031 202 2PY 0.03418 -0.02510 -0.01878 -0.04202 0.00036 203 2PZ -0.00037 -0.01539 0.04871 -0.06917 0.02176 204 3S -0.79703 0.26490 1.96218 0.19503 0.15908 205 3PX 0.26505 0.02580 -0.31631 -0.00277 0.15596 206 3PY 0.79667 -0.03529 -0.68451 0.15731 0.27668 207 3PZ 0.54911 -0.20560 -1.03067 0.05777 0.23304 208 4XX -0.04679 0.01090 0.06555 0.05415 -0.05993 209 4YY -0.01493 -0.02141 0.00049 0.01901 0.05537 210 4ZZ 0.06592 0.02852 -0.06938 -0.09533 0.03470 211 4XY 0.05348 -0.11960 -0.00179 0.13393 0.09827 212 4XZ -0.15334 -0.16931 0.08569 0.13734 0.01117 213 4YZ 0.00064 0.01658 0.00538 -0.13509 0.05491 214 23 H 1S -0.14764 0.10333 0.12454 0.02152 -0.21007 215 2S -0.30257 0.02904 0.25907 -0.11503 -0.16591 141 142 143 144 145 V V V V V Eigenvalues -- 1.53992 1.54516 1.62901 1.64041 1.65242 1 1 C 1S 0.01924 -0.00603 -0.01465 -0.01380 0.01021 2 2S 0.29994 -0.00172 -0.18303 -0.04786 -0.13419 3 2PX -0.12867 -0.05889 0.04190 0.01891 0.02198 4 2PY -0.03172 -0.07475 0.04694 0.02612 0.15770 5 2PZ -0.06403 0.00335 0.13889 0.06311 -0.08606 6 3S -1.65817 0.49125 2.44213 0.77040 2.34808 7 3PX 0.21989 0.13916 0.42660 0.11905 1.50044 8 3PY 0.62980 0.57746 -0.46365 0.17717 -1.63506 9 3PZ 0.72254 -0.08946 -0.08152 0.27830 2.05054 10 4XX 0.12482 -0.13649 0.04924 0.14659 0.09605 11 4YY 0.00312 0.09886 0.01428 -0.01651 -0.02796 12 4ZZ -0.11939 -0.01452 -0.04112 -0.09938 0.03580 13 4XY 0.00957 0.08983 0.05699 -0.24663 -0.00439 14 4XZ 0.02759 0.03190 0.06153 -0.13396 -0.02998 15 4YZ -0.12016 0.02054 0.00877 0.08151 -0.09920 16 2 C 1S -0.01924 -0.00603 0.01465 -0.01380 -0.01021 17 2S -0.29998 -0.00178 0.18304 -0.04781 0.13417 18 2PX 0.12869 -0.05887 -0.04190 0.01890 -0.02198 19 2PY -0.03172 0.07475 0.04694 -0.02609 0.15771 20 2PZ 0.06402 0.00336 -0.13889 0.06312 0.08605 21 3S 1.65819 0.49157 -2.44218 0.76980 -2.34817 22 3PX -0.21991 0.13914 -0.42661 0.11873 -1.50042 23 3PY 0.62986 -0.57734 -0.46364 -0.17751 -1.63504 24 3PZ -0.72252 -0.08960 0.08151 0.27787 -2.05056 25 4XX -0.12481 -0.13651 -0.04924 0.14656 -0.09608 26 4YY -0.00314 0.09885 -0.01428 -0.01650 0.02795 27 4ZZ 0.11940 -0.01450 0.04112 -0.09938 -0.03576 28 4XY 0.00954 -0.08983 0.05698 0.24664 -0.00446 29 4XZ -0.02762 0.03190 -0.06152 -0.13395 0.03000 30 4YZ -0.12015 -0.02056 0.00878 -0.08153 -0.09918 31 3 C 1S 0.00942 -0.00186 -0.02796 0.00858 -0.03293 32 2S 0.15100 -0.23284 -0.51834 0.26651 -0.65018 33 2PX -0.02756 0.00542 0.13938 -0.04828 -0.00056 34 2PY 0.02619 -0.07296 -0.00855 0.08805 -0.00485 35 2PZ -0.03277 -0.05450 0.08660 -0.04808 -0.03233 36 3S -0.83168 0.28367 3.97456 -0.40764 4.57243 37 3PX -0.30460 0.34296 -0.06098 0.49843 0.21426 38 3PY -0.78717 0.58339 1.65184 -0.77243 2.34571 39 3PZ -0.15165 0.63324 0.22051 0.29972 0.94017 40 4XX 0.25540 0.08370 0.03303 -0.01863 0.16379 41 4YY -0.05925 -0.02653 0.04331 0.02783 -0.04012 42 4ZZ -0.21596 -0.07539 -0.01262 0.01836 -0.07661 43 4XY -0.08438 -0.03333 0.04215 0.09037 -0.05312 44 4XZ -0.02404 0.05812 -0.09252 -0.16017 0.03556 45 4YZ 0.12890 0.07211 0.06422 0.01361 0.07784 46 4 C 1S -0.01634 0.00776 0.05408 0.00262 0.04447 47 2S -0.34878 0.04300 1.00754 0.01112 0.71567 48 2PX 0.06371 0.01974 -0.15576 -0.01119 -0.04549 49 2PY -0.00275 0.03377 0.03932 0.01134 0.05141 50 2PZ 0.06405 0.04860 -0.10511 -0.00766 -0.01739 51 3S 2.02285 -0.64970 -6.24875 -0.14851 -5.22649 52 3PX -0.98429 0.21500 2.45786 -0.15011 1.95851 53 3PY 0.68299 0.10418 -2.60652 0.24105 -1.15341 54 3PZ -1.05235 0.21618 2.56413 -0.12992 2.09889 55 4XX -0.04910 -0.07031 -0.01707 0.10291 -0.04344 56 4YY -0.01223 0.02283 -0.03132 -0.07987 -0.01323 57 4ZZ 0.05820 0.03681 0.01336 0.01171 0.01432 58 4XY -0.04746 0.02583 0.02751 0.02468 0.01090 59 4XZ -0.03281 0.08008 0.05726 -0.08666 0.02108 60 4YZ 0.01202 -0.03244 0.02226 -0.00062 0.02781 61 5 C 1S 0.01634 0.00777 -0.05408 0.00261 -0.04447 62 2S 0.34878 0.04307 -1.00754 0.01092 -0.71566 63 2PX -0.06371 0.01973 0.15576 -0.01117 0.04549 64 2PY -0.00275 -0.03377 0.03933 -0.01133 0.05142 65 2PZ -0.06405 0.04859 0.10511 -0.00765 0.01738 66 3S -2.02279 -0.65007 6.24877 -0.14715 5.22653 67 3PX 0.98425 0.21518 -2.45782 -0.15062 -1.95848 68 3PY 0.68298 -0.10404 -2.60653 -0.24143 -1.15341 69 3PZ 1.05231 0.21637 -2.56412 -0.13046 -2.09888 70 4XX 0.04911 -0.07030 0.01707 0.10292 0.04341 71 4YY 0.01222 0.02284 0.03132 -0.07986 0.01324 72 4ZZ -0.05820 0.03680 -0.01336 0.01170 -0.01432 73 4XY -0.04745 -0.02584 0.02751 -0.02467 0.01091 74 4XZ 0.03280 0.08009 -0.05726 -0.08666 -0.02108 75 4YZ 0.01202 0.03244 0.02226 0.00062 0.02782 76 6 C 1S -0.00942 -0.00186 0.02796 0.00859 0.03293 77 2S -0.15097 -0.23287 0.51833 0.26666 0.65014 78 2PX 0.02756 0.00543 -0.13938 -0.04829 0.00058 79 2PY 0.02618 0.07296 -0.00855 -0.08805 -0.00484 80 2PZ 0.03278 -0.05450 -0.08660 -0.04808 0.03234 81 3S 0.83168 0.28382 -3.97456 -0.40875 -4.57236 82 3PX 0.30460 0.34301 0.06094 0.49839 -0.21439 83 3PY -0.78703 -0.58354 1.65179 0.77297 2.34565 84 3PZ 0.15160 0.63326 -0.22053 0.29953 -0.94024 85 4XX -0.25541 0.08365 -0.03303 -0.01866 -0.16378 86 4YY 0.05925 -0.02652 -0.04331 0.02783 0.04011 87 4ZZ 0.21598 -0.07535 0.01262 0.01838 0.07660 88 4XY -0.08439 0.03331 0.04215 -0.09038 -0.05310 89 4XZ 0.02402 0.05813 0.09252 -0.16017 -0.03554 90 4YZ 0.12892 -0.07209 0.06423 -0.01359 0.07784 91 7 H 1S 0.23783 -0.08122 -0.11448 -0.00486 0.42618 92 2S 0.33074 -0.11543 -0.22554 0.10909 0.86956 93 8 H 1S -0.23783 -0.08126 0.11448 -0.00494 -0.42617 94 2S -0.33074 -0.11549 0.22553 0.10892 -0.86957 95 9 H 1S 0.17137 -0.02836 -0.43188 0.09524 -0.18417 96 2S 0.39457 -0.05009 -1.03350 0.11884 -0.61124 97 10 H 1S -0.17136 -0.02839 0.43188 0.09530 0.18415 98 2S -0.39455 -0.05016 1.03349 0.11902 0.61123 99 11 O 1S 0.00583 -0.00803 0.01016 0.01637 -0.00368 100 2S 0.07374 0.01121 0.28168 0.20816 0.15484 101 2PX -0.04465 -0.05247 0.02777 0.03916 -0.06166 102 2PY 0.00330 0.04237 0.09709 0.01502 0.13527 103 2PZ 0.03430 0.02934 0.07472 0.01723 0.04165 104 3S -0.35667 0.26935 -0.53621 -0.79524 0.08109 105 3PX 0.07643 -0.00798 -0.03097 -0.06668 0.00283 106 3PY -0.04296 -0.00018 -0.39625 -0.19197 -0.26762 107 3PZ -0.01429 -0.10757 -0.13437 -0.08369 -0.16265 108 4XX 0.09950 0.01912 0.04154 0.05460 0.07172 109 4YY 0.06477 0.01751 0.07836 0.06672 0.05061 110 4ZZ -0.09918 -0.06438 0.05068 0.04652 -0.05657 111 4XY 0.09053 0.03834 0.01874 -0.04692 0.09249 112 4XZ 0.01742 0.09127 -0.07621 -0.13494 0.06631 113 4YZ -0.07008 0.00443 -0.03184 -0.04766 -0.00801 114 12 O 1S -0.00582 -0.00803 -0.01016 0.01637 0.00368 115 2S -0.07370 0.01119 -0.28170 0.20811 -0.15485 116 2PX 0.04466 -0.05246 -0.02777 0.03917 0.06164 117 2PY 0.00330 -0.04237 0.09709 -0.01499 0.13528 118 2PZ -0.03431 0.02934 -0.07472 0.01722 -0.04165 119 3S 0.35651 0.26943 0.53627 -0.79521 -0.08104 120 3PX -0.07643 -0.00799 0.03098 -0.06668 -0.00279 121 3PY -0.04292 0.00017 -0.39626 0.19189 -0.26763 122 3PZ 0.01429 -0.10757 0.13438 -0.08365 0.16266 123 4XX -0.09950 0.01910 -0.04155 0.05458 -0.07172 124 4YY -0.06475 0.01750 -0.07837 0.06670 -0.05061 125 4ZZ 0.09919 -0.06436 -0.05068 0.04653 0.05656 126 4XY 0.09054 -0.03832 0.01873 0.04695 0.09248 127 4XZ -0.01743 0.09126 0.07621 -0.13494 -0.06629 128 4YZ -0.07009 -0.00445 -0.03184 0.04765 -0.00803 129 13 C 1S 0.00001 -0.08845 0.00000 -0.04245 0.00001 130 2S 0.00013 -1.21827 0.00001 -0.55227 0.00006 131 2PX 0.00001 -0.05349 0.00000 0.06650 -0.00001 132 2PY 0.02907 0.00000 0.06354 0.00000 -0.00224 133 2PZ 0.00001 -0.06381 0.00000 0.09656 -0.00001 134 3S -0.00039 3.85000 -0.00003 2.27437 -0.00026 135 3PX -0.00007 0.67288 0.00000 0.12664 -0.00001 136 3PY 0.35475 0.00004 0.13208 -0.00003 -0.34468 137 3PZ -0.00004 0.44914 0.00002 0.03066 -0.00002 138 4XX 0.00001 -0.17863 0.00000 -0.12560 0.00001 139 4YY -0.00001 0.15690 -0.00001 0.27717 -0.00002 140 4ZZ 0.00001 -0.05407 0.00001 -0.16151 0.00001 141 4XY 0.32247 0.00003 0.02099 -0.00002 -0.20411 142 4XZ 0.00002 -0.19520 0.00001 -0.28690 0.00003 143 4YZ -0.25882 -0.00002 0.02528 -0.00001 -0.06568 144 14 H 1S 0.00004 -0.35113 0.00000 -0.08861 0.00001 145 2S 0.00002 -0.20446 0.00001 -0.27527 0.00002 146 15 H 1S 0.00002 -0.23445 0.00000 -0.17896 0.00002 147 2S 0.00002 -0.21182 0.00000 -0.19472 0.00002 148 16 C 1S -0.00600 0.01492 -0.00143 0.03920 0.01856 149 2S -0.05881 0.22966 0.11642 0.42286 0.42192 150 2PX 0.06962 0.05442 0.14574 0.06173 0.07837 151 2PY -0.04739 -0.11744 -0.03574 0.01717 -0.04551 152 2PZ 0.09489 -0.00260 0.05326 -0.03157 -0.13067 153 3S 1.27513 -1.47488 0.93905 -1.68238 -1.91314 154 3PX -0.04109 0.32826 -0.20789 0.15386 -0.26224 155 3PY 0.93608 -0.25205 0.98683 -0.04152 -0.61593 156 3PZ 0.17086 0.57043 0.33692 0.41152 0.05499 157 4XX 0.07592 -0.00971 -0.14825 0.16696 -0.04783 158 4YY -0.01497 -0.01843 0.01647 -0.20633 0.08108 159 4ZZ -0.06313 -0.01043 0.12229 0.07375 -0.08698 160 4XY -0.14046 -0.00644 -0.10686 0.03753 0.04821 161 4XZ -0.00971 0.09906 -0.14928 -0.00505 0.24600 162 4YZ 0.21887 0.09919 0.08712 -0.11264 -0.12400 163 17 H 1S 0.06135 0.10415 0.12927 0.40056 -0.03510 164 2S 0.24207 0.19241 0.31789 0.22722 0.02811 165 18 C 1S 0.02357 0.00625 0.01765 0.00232 -0.02549 166 2S 0.43112 0.04897 0.20789 -0.09493 -0.31113 167 2PX 0.03005 -0.07183 0.02158 -0.03150 -0.02459 168 2PY -0.03894 0.00200 -0.03361 0.03023 0.01831 169 2PZ -0.04332 0.09901 -0.06269 -0.02535 0.03500 170 3S -2.77758 -0.13554 -1.96375 0.14045 2.39904 171 3PX 0.36410 0.05174 0.60284 -0.05621 -0.33499 172 3PY -1.52426 -0.02590 -1.17878 0.05332 1.21695 173 3PZ 1.33760 0.06920 1.56481 -0.21369 -1.28497 174 4XX -0.04326 -0.15754 0.06944 0.15005 -0.09434 175 4YY -0.01755 -0.02576 -0.02645 -0.05634 0.01309 176 4ZZ 0.03521 0.19023 -0.07421 -0.07936 0.08513 177 4XY -0.00526 0.30436 0.02104 0.10687 -0.05587 178 4XZ 0.02648 -0.08837 0.22128 -0.03899 -0.18835 179 4YZ -0.01488 -0.17757 0.05205 0.10504 0.00640 180 19 H 1S -0.24214 -0.11518 -0.30090 0.19853 0.18854 181 2S -0.50160 -0.01041 -0.60819 0.01796 0.45574 182 20 C 1S 0.00600 0.01492 0.00143 0.03919 -0.01857 183 2S 0.05878 0.22967 -0.11644 0.42276 -0.42201 184 2PX -0.06963 0.05440 -0.14575 0.06171 -0.07838 185 2PY -0.04742 0.11743 -0.03574 -0.01718 -0.04551 186 2PZ -0.09489 -0.00262 -0.05325 -0.03154 0.13067 187 3S -1.27488 -1.47514 -0.93901 -1.68201 1.91351 188 3PX 0.04101 0.32826 0.20789 0.15392 0.26220 189 3PY 0.93604 0.25224 0.98686 0.04141 -0.61595 190 3PZ -0.17097 0.57040 -0.33696 0.41152 -0.05507 191 4XX -0.07592 -0.00972 0.14824 0.16698 0.04779 192 4YY 0.01497 -0.01843 -0.01646 -0.20635 -0.08105 193 4ZZ 0.06313 -0.01042 -0.12230 0.07376 0.08697 194 4XY -0.14045 0.00641 -0.10686 -0.03753 0.04822 195 4XZ 0.00969 0.09907 0.14928 -0.00509 -0.24600 196 4YZ 0.21888 -0.09914 0.08711 0.11262 -0.12402 197 21 H 1S -0.06135 0.10413 -0.12930 0.40056 0.03502 198 2S -0.24211 0.19236 -0.31791 0.22721 -0.02816 199 22 C 1S -0.02357 0.00625 -0.01765 0.00232 0.02549 200 2S -0.43113 0.04889 -0.20790 -0.09487 0.31115 201 2PX -0.03003 -0.07183 -0.02158 -0.03149 0.02460 202 2PY -0.03895 -0.00201 -0.03361 -0.03023 0.01832 203 2PZ 0.04329 0.09902 0.06269 -0.02536 -0.03499 204 3S 2.77762 -0.13499 1.96377 0.14000 -2.39908 205 3PX -0.36413 0.05167 -0.60285 -0.05616 0.33501 206 3PY -1.52428 0.02560 -1.17879 -0.05312 1.21696 207 3PZ -1.33761 0.06893 -1.56481 -0.21349 1.28501 208 4XX 0.04330 -0.15753 -0.06945 0.15007 0.09432 209 4YY 0.01755 -0.02575 0.02645 -0.05634 -0.01308 210 4ZZ -0.03526 0.19022 0.07422 -0.07937 -0.08511 211 4XY -0.00520 -0.30436 0.02105 -0.10689 -0.05585 212 4XZ -0.02645 -0.08838 -0.22128 -0.03897 0.18836 213 4YZ -0.01493 0.17757 0.05205 -0.10504 0.00642 214 23 H 1S 0.24218 -0.11513 0.30090 0.19851 -0.18858 215 2S 0.50160 -0.01031 0.60819 0.01790 -0.45574 146 147 148 149 150 V V V V V Eigenvalues -- 1.70177 1.77129 1.77527 1.79462 1.83237 1 1 C 1S -0.00832 0.01547 -0.02831 0.00805 0.00150 2 2S 0.11203 0.17995 -0.55121 0.01703 -0.07714 3 2PX 0.14786 -0.02483 -0.08812 -0.01930 -0.06908 4 2PY 0.17929 -0.01222 0.07708 -0.02660 0.01562 5 2PZ 0.10974 -0.00600 -0.14020 0.02816 0.00280 6 3S 0.45206 -0.55292 0.64271 -0.37490 0.13998 7 3PX -0.05400 0.01012 -0.17373 -0.08074 0.25959 8 3PY -0.05437 -0.10896 -0.13843 -0.10926 -0.13040 9 3PZ -0.09632 -0.03885 0.21415 -0.07798 0.25313 10 4XX -0.10035 -0.09976 0.01431 -0.12414 0.16974 11 4YY 0.12318 -0.00103 -0.02948 0.07758 -0.02758 12 4ZZ -0.04179 0.11600 -0.01461 0.00691 -0.12971 13 4XY -0.01928 -0.06087 -0.04593 0.01304 -0.00887 14 4XZ -0.12871 0.00684 -0.01086 0.02353 0.03385 15 4YZ -0.14122 0.08247 0.00845 0.15173 -0.06644 16 2 C 1S -0.00832 0.01547 0.02831 0.00805 -0.00150 17 2S 0.11204 0.17991 0.55123 0.01703 0.07715 18 2PX 0.14787 -0.02483 0.08811 -0.01930 0.06907 19 2PY -0.17928 0.01222 0.07709 0.02660 0.01562 20 2PZ 0.10975 -0.00601 0.14020 0.02816 -0.00280 21 3S 0.45198 -0.55289 -0.64280 -0.37490 -0.14004 22 3PX -0.05405 0.01009 0.17373 -0.08077 -0.25959 23 3PY 0.05431 0.10895 -0.13841 0.10926 -0.13038 24 3PZ -0.09639 -0.03885 -0.21416 -0.07799 -0.25313 25 4XX -0.10035 -0.09976 -0.01432 -0.12414 -0.16974 26 4YY 0.12318 -0.00103 0.02948 0.07758 0.02758 27 4ZZ -0.04180 0.11600 0.01462 0.00691 0.12971 28 4XY 0.01927 0.06087 -0.04593 -0.01304 -0.00887 29 4XZ -0.12871 0.00684 0.01086 0.02354 -0.03386 30 4YZ 0.14122 -0.08247 0.00844 -0.15173 -0.06646 31 3 C 1S 0.00580 -0.00430 0.02333 0.00271 -0.00611 32 2S -0.04506 -0.03605 0.51297 -0.18973 -0.17572 33 2PX -0.21218 -0.00307 -0.07286 0.06927 -0.02742 34 2PY -0.04490 -0.01755 0.17633 -0.01059 -0.00578 35 2PZ -0.19468 0.01022 -0.00235 -0.01114 -0.04970 36 3S 0.30223 0.06853 0.27378 0.59197 0.83866 37 3PX 0.87307 -0.22484 0.16221 -0.16750 0.24761 38 3PY -0.29795 0.12984 -2.77538 0.07974 0.06147 39 3PZ 0.75846 -0.12186 -0.29275 -0.18802 0.38342 40 4XX -0.08591 -0.11093 -0.06017 -0.01560 0.02379 41 4YY 0.02038 -0.01113 0.06290 -0.02774 -0.03634 42 4ZZ 0.05071 0.11450 -0.06884 0.06459 0.02208 43 4XY 0.18922 -0.04182 -0.03115 0.01041 0.04820 44 4XZ 0.06686 0.04231 -0.02893 0.06081 0.07853 45 4YZ 0.22399 0.01737 0.07013 -0.06706 0.07706 46 4 C 1S 0.00896 -0.00157 -0.00862 0.00024 0.00602 47 2S -0.22570 -0.06096 -0.15906 -0.01826 -0.10249 48 2PX 0.09795 0.02698 0.01563 -0.00102 0.02865 49 2PY 0.15491 -0.00250 0.11070 -0.00332 0.01339 50 2PZ 0.08435 0.01652 0.03109 -0.00454 0.10209 51 3S -0.42571 0.15816 2.00142 0.00978 -0.00590 52 3PX -0.16482 0.01349 -0.91205 0.02565 0.11295 53 3PY 0.21117 -0.06436 0.78035 -0.01996 0.50830 54 3PZ -0.10168 -0.07237 -0.98921 0.04036 -0.02316 55 4XX 0.06437 -0.15942 -0.02756 0.00361 -0.17478 56 4YY -0.12051 0.00213 -0.01117 0.04791 -0.01944 57 4ZZ 0.06241 0.15831 0.04731 -0.07195 0.18232 58 4XY 0.14759 -0.08575 0.01962 0.01416 0.00556 59 4XZ 0.20796 0.00788 -0.01721 0.01330 0.00942 60 4YZ 0.20731 0.07004 -0.01411 0.02154 0.02540 61 5 C 1S 0.00896 -0.00157 0.00862 0.00024 -0.00602 62 2S -0.22573 -0.06098 0.15905 -0.01826 0.10249 63 2PX 0.09795 0.02699 -0.01563 -0.00102 -0.02865 64 2PY -0.15491 0.00250 0.11070 0.00332 0.01339 65 2PZ 0.08435 0.01652 -0.03109 -0.00454 -0.10209 66 3S -0.42552 0.15835 -2.00139 0.00980 0.00592 67 3PX -0.16489 0.01341 0.91204 0.02564 -0.11297 68 3PY -0.21122 0.06429 0.78037 0.01997 0.50830 69 3PZ -0.10175 -0.07246 0.98920 0.04035 0.02316 70 4XX 0.06438 -0.15942 0.02755 0.00362 0.17479 71 4YY -0.12051 0.00213 0.01117 0.04791 0.01944 72 4ZZ 0.06241 0.15832 -0.04730 -0.07195 -0.18232 73 4XY -0.14759 0.08574 0.01963 -0.01416 0.00556 74 4XZ 0.20796 0.00787 0.01722 0.01329 -0.00942 75 4YZ -0.20731 -0.07004 -0.01411 -0.02153 0.02540 76 6 C 1S 0.00581 -0.00429 -0.02333 0.00271 0.00611 77 2S -0.04504 -0.03600 -0.51298 -0.18972 0.17571 78 2PX -0.21218 -0.00308 0.07286 0.06927 0.02742 79 2PY 0.04490 0.01754 0.17633 0.01058 -0.00577 80 2PZ -0.19468 0.01022 0.00235 -0.01114 0.04970 81 3S 0.30207 0.06851 -0.27376 0.59193 -0.83864 82 3PX 0.87306 -0.22483 -0.16222 -0.16750 -0.24763 83 3PY 0.29803 -0.12961 -2.77540 -0.07971 0.06148 84 3PZ 0.75843 -0.12190 0.29272 -0.18802 -0.38345 85 4XX -0.08592 -0.11094 0.06017 -0.01559 -0.02379 86 4YY 0.02037 -0.01113 -0.06290 -0.02774 0.03634 87 4ZZ 0.05071 0.11449 0.06885 0.06459 -0.02208 88 4XY -0.18922 0.04182 -0.03114 -0.01041 0.04820 89 4XZ 0.06687 0.04230 0.02893 0.06081 -0.07852 90 4YZ -0.22399 -0.01737 0.07013 0.06706 0.07706 91 7 H 1S -0.05959 0.05965 -0.03885 0.11916 0.05749 92 2S -0.05542 0.07701 0.06538 -0.05213 0.10371 93 8 H 1S -0.05960 0.05964 0.03886 0.11915 -0.05747 94 2S -0.05545 0.07700 -0.06537 -0.05214 -0.10369 95 9 H 1S 0.15873 -0.02146 0.15708 0.01961 0.04943 96 2S 0.06258 -0.00242 0.34058 -0.03158 0.07976 97 10 H 1S 0.15873 -0.02144 -0.15708 0.01961 -0.04943 98 2S 0.06260 -0.00239 -0.34059 -0.03158 -0.07976 99 11 O 1S 0.00763 -0.00247 0.05479 0.00073 0.00340 100 2S 0.14747 -0.06913 1.00723 0.13704 0.10607 101 2PX 0.12472 0.00019 -0.02316 -0.02354 0.01270 102 2PY 0.01693 -0.01954 0.08106 0.07153 0.04661 103 2PZ 0.13419 0.01674 0.02453 -0.02272 0.04154 104 3S -0.53929 0.19123 -3.58296 -0.28561 -0.30993 105 3PX -0.27271 0.02152 0.18098 0.06706 -0.04020 106 3PY -0.16763 0.06566 -0.97791 -0.13560 -0.12444 107 3PZ -0.30812 0.00402 -0.09110 0.04713 -0.11255 108 4XX 0.03930 -0.48765 0.11438 -0.14972 -0.47514 109 4YY 0.03410 -0.02330 0.36448 0.01386 0.01628 110 4ZZ 0.01519 0.47291 0.12143 0.19943 0.52350 111 4XY -0.12967 -0.06438 -0.01993 -0.07679 -0.14171 112 4XZ 0.02328 0.06528 -0.25410 0.02476 0.17019 113 4YZ -0.11757 -0.08885 -0.11340 0.06653 -0.09252 114 12 O 1S 0.00763 -0.00247 -0.05479 0.00073 -0.00340 115 2S 0.14746 -0.06905 -1.00724 0.13705 -0.10607 116 2PX 0.12472 0.00019 0.02315 -0.02354 -0.01270 117 2PY -0.01692 0.01954 0.08106 -0.07153 0.04661 118 2PZ 0.13419 0.01674 -0.02453 -0.02272 -0.04154 119 3S -0.53928 0.19095 3.58298 -0.28562 0.30991 120 3PX -0.27272 0.02153 -0.18096 0.06706 0.04020 121 3PY 0.16761 -0.06558 -0.97792 0.13560 -0.12443 122 3PZ -0.30811 0.00401 0.09110 0.04713 0.11255 123 4XX 0.03929 -0.48764 -0.11442 -0.14971 0.47515 124 4YY 0.03410 -0.02327 -0.36448 0.01387 -0.01628 125 4ZZ 0.01519 0.47292 -0.12140 0.19942 -0.52350 126 4XY 0.12967 0.06438 -0.01992 0.07679 -0.14170 127 4XZ 0.02328 0.06526 0.25411 0.02475 -0.17018 128 4YZ 0.11757 0.08886 -0.11339 -0.06652 -0.09252 129 13 C 1S 0.02271 -0.00264 0.00000 -0.00757 0.00000 130 2S 0.25703 0.03783 0.00000 -0.51678 0.00001 131 2PX 0.04744 -0.03821 0.00000 -0.11459 0.00000 132 2PY 0.00000 0.00000 -0.01371 0.00000 0.03381 133 2PZ -0.00725 0.05700 0.00000 -0.09241 0.00000 134 3S -0.49722 -0.42607 -0.00001 1.21651 -0.00002 135 3PX -0.23545 0.05672 0.00000 -0.08096 0.00000 136 3PY -0.00001 -0.00001 0.20888 0.00000 0.01062 137 3PZ 0.10435 -0.55459 -0.00001 1.00406 -0.00001 138 4XX 0.01635 -0.04389 0.00000 0.16617 0.00000 139 4YY -0.03236 0.03051 0.00000 -0.00380 0.00000 140 4ZZ 0.03319 0.02585 0.00000 -0.14203 0.00000 141 4XY -0.00001 0.00000 0.01388 0.00000 -0.02864 142 4XZ 0.07371 -0.20909 -0.00001 0.18637 -0.00001 143 4YZ 0.00000 -0.00001 0.23116 0.00000 -0.00018 144 14 H 1S 0.09620 -0.12352 0.00000 0.26754 0.00000 145 2S 0.05878 -0.17709 -0.00001 0.18832 0.00000 146 15 H 1S 0.03638 0.02389 0.00000 -0.26030 0.00000 147 2S -0.04302 0.16955 0.00001 -0.24437 0.00000 148 16 C 1S -0.00895 -0.00836 -0.03160 0.00763 -0.00500 149 2S -0.13065 -0.11375 -0.27033 -0.08450 -0.07926 150 2PX -0.04265 -0.02965 -0.05320 -0.02336 -0.00200 151 2PY 0.06133 -0.00970 -0.02957 -0.05150 -0.01842 152 2PZ 0.00749 0.00676 -0.00773 -0.01133 0.00531 153 3S 0.48996 0.57176 0.66831 -0.65433 0.37071 154 3PX 0.08186 0.07530 0.18259 0.21699 0.03471 155 3PY -0.32326 0.41314 0.47644 -0.40559 0.21174 156 3PZ -0.10496 0.19187 -0.00053 -0.28424 0.17687 157 4XX -0.02684 0.09105 0.08720 -0.20788 -0.01606 158 4YY 0.02675 -0.06118 -0.05759 0.01815 -0.02175 159 4ZZ 0.00376 -0.01214 -0.03782 0.16597 0.02299 160 4XY -0.01238 -0.06516 0.14719 0.17388 -0.03674 161 4XZ -0.00227 -0.06202 -0.02233 0.07716 0.03042 162 4YZ -0.02951 0.10351 0.02556 -0.29187 0.01883 163 17 H 1S -0.12945 0.05133 0.04331 0.00004 0.01578 164 2S -0.19682 0.13834 0.09708 -0.09019 0.07397 165 18 C 1S -0.00294 0.00375 -0.00806 -0.00128 0.00325 166 2S 0.00053 0.07170 -0.21891 -0.17640 0.08499 167 2PX 0.01559 0.02824 0.01731 -0.03647 0.01643 168 2PY -0.04806 0.05257 -0.04826 -0.12514 -0.00629 169 2PZ -0.00240 0.04418 0.06882 -0.05500 0.00600 170 3S -0.10732 -0.30936 0.34784 0.25070 -0.52508 171 3PX -0.06769 0.02656 -0.07285 -0.11526 0.02590 172 3PY 0.23429 -0.12472 0.26380 0.29670 -0.07587 173 3PZ -0.08217 0.23071 -0.17595 -0.31355 0.24871 174 4XX -0.06423 0.06909 0.02481 -0.16983 -0.04722 175 4YY 0.02534 -0.06641 -0.03761 0.19918 -0.00674 176 4ZZ 0.02139 0.01707 0.00298 -0.08840 0.02896 177 4XY -0.00015 -0.04700 -0.01949 0.14297 -0.00238 178 4XZ -0.03905 0.06707 -0.05231 -0.02857 -0.00271 179 4YZ -0.03229 -0.05911 -0.03780 0.21904 0.01021 180 19 H 1S 0.05453 -0.10015 0.05071 0.26717 -0.00766 181 2S 0.07779 -0.04600 0.04246 0.09211 -0.03478 182 20 C 1S -0.00895 -0.00837 0.03160 0.00763 0.00499 183 2S -0.13065 -0.11378 0.27032 -0.08451 0.07925 184 2PX -0.04266 -0.02966 0.05320 -0.02336 0.00200 185 2PY -0.06134 0.00970 -0.02957 0.05150 -0.01842 186 2PZ 0.00750 0.00676 0.00774 -0.01133 -0.00530 187 3S 0.49000 0.57185 -0.66827 -0.65432 -0.37067 188 3PX 0.08187 0.07532 -0.18257 0.21699 -0.03471 189 3PY 0.32326 -0.41319 0.47640 0.40558 0.21172 190 3PZ -0.10497 0.19187 0.00054 -0.28425 -0.17687 191 4XX -0.02684 0.09106 -0.08719 -0.20788 0.01606 192 4YY 0.02674 -0.06119 0.05759 0.01815 0.02175 193 4ZZ 0.00377 -0.01214 0.03782 0.16597 -0.02299 194 4XY 0.01238 0.06515 0.14719 -0.17389 -0.03674 195 4XZ -0.00228 -0.06203 0.02232 0.07715 -0.03043 196 4YZ 0.02950 -0.10351 0.02556 0.29187 0.01883 197 21 H 1S -0.12945 0.05133 -0.04330 0.00005 -0.01577 198 2S -0.19683 0.13835 -0.09706 -0.09019 -0.07397 199 22 C 1S -0.00294 0.00375 0.00806 -0.00128 -0.00325 200 2S 0.00054 0.07169 0.21892 -0.17640 -0.08498 201 2PX 0.01559 0.02824 -0.01731 -0.03647 -0.01643 202 2PY 0.04806 -0.05256 -0.04827 0.12514 -0.00629 203 2PZ -0.00240 0.04419 -0.06881 -0.05501 -0.00599 204 3S -0.10737 -0.30937 -0.34787 0.25070 0.52507 205 3PX -0.06768 0.02656 0.07286 -0.11526 -0.02590 206 3PY -0.23427 0.12471 0.26382 -0.29670 -0.07586 207 3PZ -0.08214 0.23072 0.17597 -0.31355 -0.24870 208 4XX -0.06423 0.06910 -0.02480 -0.16983 0.04723 209 4YY 0.02534 -0.06641 0.03760 0.19918 0.00674 210 4ZZ 0.02138 0.01707 -0.00299 -0.08840 -0.02896 211 4XY 0.00015 0.04700 -0.01949 -0.14298 -0.00238 212 4XZ -0.03904 0.06707 0.05232 -0.02856 0.00272 213 4YZ 0.03229 0.05912 -0.03780 -0.21904 0.01021 214 23 H 1S 0.05452 -0.10014 -0.05071 0.26717 0.00766 215 2S 0.07778 -0.04600 -0.04246 0.09211 0.03478 151 152 153 154 155 V V V V V Eigenvalues -- 1.84511 1.84720 1.85949 1.89006 1.90255 1 1 C 1S -0.04248 -0.01986 -0.01174 0.03112 -0.01827 2 2S -0.45194 -0.08470 0.17224 0.44479 -0.29060 3 2PX 0.07542 0.12776 0.06217 0.02028 0.09270 4 2PY -0.00175 0.04804 0.07252 -0.00374 -0.06768 5 2PZ -0.03206 0.07365 0.09492 0.08677 0.01120 6 3S 1.84031 1.17665 0.73920 -1.57276 1.12251 7 3PX -0.05275 0.52733 0.11485 -0.39893 -0.14594 8 3PY 0.73872 0.55231 -0.31492 -0.01211 0.49694 9 3PZ 0.00951 0.51528 0.18254 -0.66038 0.35224 10 4XX 0.08596 -0.00376 -0.01541 -0.15163 -0.00525 11 4YY -0.02128 0.02527 0.03408 0.16051 -0.13220 12 4ZZ -0.04417 0.02729 -0.03359 -0.03956 0.20504 13 4XY -0.03344 -0.02453 0.03090 0.09388 -0.02838 14 4XZ -0.00030 -0.19877 -0.10730 -0.24331 -0.18192 15 4YZ -0.25773 -0.04697 -0.05308 0.03027 0.23079 16 2 C 1S -0.04247 0.01988 0.01174 0.03112 -0.01827 17 2S -0.45192 0.08486 -0.17223 0.44480 -0.29059 18 2PX 0.07538 -0.12779 -0.06217 0.02028 0.09270 19 2PY 0.00176 0.04803 0.07252 0.00375 0.06768 20 2PZ -0.03208 -0.07364 -0.09492 0.08676 0.01120 21 3S 1.83995 -1.17728 -0.73923 -1.57287 1.12245 22 3PX -0.05289 -0.52730 -0.11484 -0.39897 -0.14594 23 3PY -0.73850 0.55257 -0.31489 0.01211 -0.49693 24 3PZ 0.00934 -0.51527 -0.18253 -0.66042 0.35222 25 4XX 0.08595 0.00374 0.01540 -0.15163 -0.00525 26 4YY -0.02129 -0.02527 -0.03408 0.16051 -0.13220 27 4ZZ -0.04417 -0.02727 0.03359 -0.03956 0.20504 28 4XY 0.03343 -0.02454 0.03090 -0.09389 0.02838 29 4XZ -0.00023 0.19878 0.10730 -0.24330 -0.18192 30 4YZ 0.25771 -0.04705 -0.05309 -0.03028 -0.23079 31 3 C 1S 0.00406 -0.01539 0.01204 -0.00939 0.01568 32 2S 0.24903 -0.33707 0.24115 -0.03878 0.08298 33 2PX -0.07033 0.06893 0.07414 0.01030 0.02456 34 2PY 0.07659 -0.05126 0.04537 0.01720 0.00973 35 2PZ 0.01142 0.05199 0.08801 0.05957 -0.02703 36 3S -0.99037 1.80291 -1.35356 -0.74679 -0.80428 37 3PX 0.51335 -0.83012 -1.05428 -0.83038 0.60037 38 3PY 0.23537 0.07230 0.28357 2.44844 0.16178 39 3PZ 0.79494 -0.79051 -0.94140 -0.42441 0.13155 40 4XX -0.00670 0.03159 0.11706 0.11173 0.00636 41 4YY -0.01177 0.00264 -0.03408 -0.14030 -0.01750 42 4ZZ 0.02891 -0.02660 -0.08158 0.08148 0.03718 43 4XY -0.03294 -0.17200 -0.18790 0.09165 0.13210 44 4XZ -0.21168 0.15826 -0.16316 -0.08485 -0.07335 45 4YZ 0.07330 -0.13088 -0.22946 -0.02033 -0.09236 46 4 C 1S 0.00190 -0.00452 -0.01768 -0.00213 0.00396 47 2S 0.14111 0.16864 0.13067 0.00024 0.06748 48 2PX -0.04357 -0.04965 -0.15125 0.07938 -0.05741 49 2PY -0.00457 -0.00090 -0.06677 0.09802 0.00653 50 2PZ -0.00512 -0.05509 -0.13087 0.07339 -0.01896 51 3S -0.48197 -0.03001 0.46475 0.51443 -0.22362 52 3PX 0.24519 0.09293 -0.27467 0.35218 -0.02231 53 3PY 0.12768 -0.06331 -0.78861 -0.99112 0.04339 54 3PZ 0.10267 0.07858 -0.48693 0.34360 0.09000 55 4XX -0.21371 -0.00570 -0.03598 0.03334 0.16102 56 4YY -0.00295 0.04453 0.03675 0.01936 0.00481 57 4ZZ 0.21643 -0.05350 0.03501 -0.03300 -0.16778 58 4XY -0.13022 -0.01209 -0.09417 -0.16962 0.13052 59 4XZ -0.10715 -0.04498 -0.21491 0.12009 -0.04618 60 4YZ -0.04154 0.01551 -0.02099 -0.12382 0.00627 61 5 C 1S 0.00190 0.00452 0.01768 -0.00213 0.00396 62 2S 0.14106 -0.16870 -0.13068 0.00023 0.06748 63 2PX -0.04354 0.04967 0.15125 0.07939 -0.05741 64 2PY 0.00457 -0.00090 -0.06677 -0.09802 -0.00653 65 2PZ -0.00510 0.05509 0.13087 0.07340 -0.01896 66 3S -0.48206 0.03017 -0.46473 0.51445 -0.22362 67 3PX 0.24519 -0.09304 0.27466 0.35216 -0.02231 68 3PY -0.12769 -0.06330 -0.78862 0.99110 -0.04339 69 3PZ 0.10269 -0.07864 0.48692 0.34360 0.09000 70 4XX -0.21370 0.00578 0.03599 0.03334 0.16102 71 4YY -0.00296 -0.04453 -0.03675 0.01936 0.00480 72 4ZZ 0.21644 0.05343 -0.03502 -0.03300 -0.16778 73 4XY 0.13020 -0.01214 -0.09418 0.16962 -0.13051 74 4XZ -0.10713 0.04501 0.21492 0.12009 -0.04618 75 4YZ 0.04155 0.01549 -0.02099 0.12382 -0.00627 76 6 C 1S 0.00407 0.01539 -0.01204 -0.00939 0.01568 77 2S 0.24913 0.33698 -0.24115 -0.03876 0.08298 78 2PX -0.07036 -0.06891 -0.07414 0.01029 0.02456 79 2PY -0.07661 -0.05123 0.04537 -0.01720 -0.00973 80 2PZ 0.01140 -0.05199 -0.08801 0.05957 -0.02703 81 3S -0.99091 -1.80254 1.35359 -0.74688 -0.80434 82 3PX 0.51366 0.82996 1.05427 -0.83030 0.60039 83 3PY -0.23538 0.07249 0.28364 -2.44843 -0.16178 84 3PZ 0.79524 0.79024 0.94138 -0.42437 0.13157 85 4XX -0.00672 -0.03159 -0.11706 0.11173 0.00637 86 4YY -0.01177 -0.00263 0.03408 -0.14030 -0.01751 87 4ZZ 0.02892 0.02659 0.08157 0.08148 0.03718 88 4XY 0.03287 -0.17201 -0.18791 -0.09166 -0.13210 89 4XZ -0.21173 -0.15818 0.16317 -0.08485 -0.07336 90 4YZ -0.07335 -0.13086 -0.22945 0.02032 0.09236 91 7 H 1S -0.39393 0.00860 0.07285 0.12938 0.02449 92 2S -0.28403 -0.00232 0.12324 -0.12194 -0.12763 93 8 H 1S -0.39393 -0.00846 -0.07284 0.12938 0.02449 94 2S -0.28402 0.00243 -0.12322 -0.12194 -0.12762 95 9 H 1S -0.04509 0.03607 0.03573 -0.43049 0.09717 96 2S -0.02917 -0.01091 -0.00223 -0.27702 -0.01983 97 10 H 1S -0.04511 -0.03604 -0.03572 -0.43050 0.09717 98 2S -0.02918 0.01093 0.00223 -0.27702 -0.01983 99 11 O 1S -0.00989 0.00914 -0.01221 -0.04687 -0.00452 100 2S -0.12562 0.18889 -0.20597 -0.76869 -0.08467 101 2PX -0.03053 -0.09225 -0.11477 0.02011 0.06629 102 2PY -0.01130 0.01860 -0.01430 0.03222 0.03930 103 2PZ 0.03811 -0.07937 -0.11877 0.01428 -0.04489 104 3S 0.60331 -0.68293 0.86181 3.11522 0.39775 105 3PX -0.05248 0.26905 0.26848 -0.08901 -0.19614 106 3PY 0.18248 -0.23784 0.27311 0.80541 0.08938 107 3PZ -0.13497 0.19943 0.32338 0.13401 0.07098 108 4XX -0.17617 0.00860 -0.26974 -0.07825 -0.00786 109 4YY 0.02639 0.04971 -0.03200 -0.25573 -0.08299 110 4ZZ 0.05914 0.04412 0.18206 -0.08669 0.06506 111 4XY 0.07378 0.08049 0.17847 0.06359 -0.15660 112 4XZ -0.17141 0.27357 -0.30868 -0.14713 -0.10983 113 4YZ -0.15103 0.15200 0.09091 -0.01922 0.08134 114 12 O 1S -0.00989 -0.00913 0.01221 -0.04687 -0.00452 115 2S -0.12569 -0.18882 0.20599 -0.76869 -0.08468 116 2PX -0.03049 0.09226 0.11477 0.02011 0.06629 117 2PY 0.01130 0.01859 -0.01430 -0.03222 -0.03930 118 2PZ 0.03814 0.07936 0.11877 0.01428 -0.04489 119 3S 0.60355 0.68259 -0.86189 3.11523 0.39779 120 3PX -0.05258 -0.26903 -0.26848 -0.08902 -0.19614 121 3PY -0.18256 -0.23775 0.27313 -0.80542 -0.08939 122 3PZ -0.13505 -0.19939 -0.32338 0.13400 0.07098 123 4XX -0.17614 -0.00854 0.26974 -0.07825 -0.00787 124 4YY 0.02637 -0.04971 0.03201 -0.25573 -0.08299 125 4ZZ 0.05910 -0.04414 -0.18205 -0.08669 0.06506 126 4XY -0.07376 0.08052 0.17848 -0.06358 0.15661 127 4XZ -0.17149 -0.27351 0.30868 -0.14714 -0.10983 128 4YZ 0.15108 0.15195 0.09091 0.01922 -0.08134 129 13 C 1S -0.00322 0.00000 0.00000 0.02007 0.01139 130 2S -0.16224 0.00004 0.00000 -0.14844 0.08633 131 2PX 0.07319 -0.00001 0.00000 -0.09914 0.04949 132 2PY -0.00004 -0.22820 0.10802 0.00000 0.00000 133 2PZ -0.09262 0.00002 0.00000 -0.07979 0.00560 134 3S 1.12211 -0.00021 -0.00001 -0.47946 0.21282 135 3PX 0.23944 -0.00005 0.00000 -0.12400 0.39689 136 3PY 0.00006 0.28652 0.00343 0.00000 0.00001 137 3PZ 0.49265 -0.00010 0.00000 -0.09084 -0.29009 138 4XX -0.04732 0.00001 0.00000 -0.08325 -0.22816 139 4YY -0.00974 0.00000 0.00000 0.10745 0.14307 140 4ZZ 0.04689 -0.00001 0.00000 -0.00734 0.08666 141 4XY 0.00003 0.18823 -0.06746 0.00000 0.00000 142 4XZ 0.29664 -0.00006 0.00000 -0.04387 0.08323 143 4YZ 0.00007 0.34033 -0.03919 0.00001 0.00001 144 14 H 1S -0.02748 0.00000 0.00000 0.05540 -0.16270 145 2S 0.11938 -0.00002 0.00000 -0.08161 -0.06336 146 15 H 1S 0.09039 -0.00002 0.00000 0.06545 0.28653 147 2S -0.19895 0.00004 0.00000 0.01899 0.05321 148 16 C 1S 0.02187 -0.01668 -0.00261 -0.02331 0.01709 149 2S 0.27499 0.20668 -0.06649 -0.21751 0.20495 150 2PX 0.04044 -0.02565 0.03477 -0.01677 0.03424 151 2PY -0.01704 0.08630 -0.06807 0.03831 -0.03738 152 2PZ -0.07470 -0.08266 0.04069 0.13303 -0.09717 153 3S -1.23525 -0.06138 0.34519 0.84954 -0.89384 154 3PX -0.26438 -0.00360 -0.07043 0.20454 -0.37236 155 3PY -0.57494 -0.13605 0.64133 0.28246 -0.25395 156 3PZ 0.07609 0.04424 0.10762 -0.06521 0.15810 157 4XX -0.14537 0.02508 -0.02223 0.05230 -0.16516 158 4YY 0.12482 -0.08043 0.03038 0.00895 0.12145 159 4ZZ -0.02198 0.01672 -0.01249 -0.02066 0.00268 160 4XY -0.03324 0.16336 -0.01227 -0.09099 -0.13729 161 4XZ 0.14486 -0.07253 0.01596 -0.02316 0.18244 162 4YZ -0.01586 0.23822 -0.05824 -0.13320 0.16013 163 17 H 1S -0.08259 -0.07700 0.10019 0.01386 -0.07129 164 2S -0.07440 0.00162 0.20928 0.05350 0.00438 165 18 C 1S -0.00964 0.00710 0.00298 0.00681 -0.02176 166 2S -0.13516 -0.14637 0.05494 -0.07762 -0.22759 167 2PX -0.05464 0.04464 -0.03611 -0.01572 0.02860 168 2PY -0.06368 -0.11640 0.03460 -0.05207 -0.02296 169 2PZ -0.02907 0.09627 -0.01001 0.04335 0.09567 170 3S 0.45421 0.19408 -0.77486 -0.25452 0.60977 171 3PX 0.05310 -0.03997 0.22584 0.05112 0.00905 172 3PY 0.14314 0.08701 -0.50442 0.07145 -0.06176 173 3PZ -0.32695 -0.10998 0.36143 0.21342 -0.30706 174 4XX -0.16612 -0.00560 0.02668 0.04020 -0.25835 175 4YY 0.03977 -0.09460 0.02311 0.15493 0.01311 176 4ZZ 0.10724 0.07285 -0.04168 -0.17585 0.18383 177 4XY 0.04672 0.02568 -0.00929 -0.02354 -0.06817 178 4XZ -0.09561 0.07495 -0.01933 -0.04186 0.13350 179 4YZ 0.04661 -0.07106 0.02666 -0.13526 -0.04644 180 19 H 1S 0.04251 -0.09078 -0.04886 -0.05832 -0.19392 181 2S 0.06666 0.06622 -0.15702 -0.00470 0.06743 182 20 C 1S 0.02188 0.01667 0.00261 -0.02331 0.01710 183 2S 0.27492 -0.20678 0.06648 -0.21751 0.20495 184 2PX 0.04045 0.02563 -0.03477 -0.01677 0.03425 185 2PY 0.01707 0.08629 -0.06807 -0.03831 0.03738 186 2PZ -0.07467 0.08269 -0.04069 0.13303 -0.09717 187 3S -1.23526 0.06184 -0.34518 0.84951 -0.89387 188 3PX -0.26439 0.00369 0.07044 0.20454 -0.37237 189 3PY 0.57490 -0.13626 0.64133 -0.28244 0.25394 190 3PZ 0.07607 -0.04426 -0.10763 -0.06523 0.15809 191 4XX -0.14538 -0.02502 0.02223 0.05230 -0.16516 192 4YY 0.12485 0.08038 -0.03039 0.00896 0.12145 193 4ZZ -0.02199 -0.01671 0.01249 -0.02066 0.00268 194 4XY 0.03330 0.16334 -0.01227 0.09099 0.13730 195 4XZ 0.14489 0.07247 -0.01596 -0.02316 0.18244 196 4YZ 0.01595 0.23821 -0.05825 0.13321 -0.16012 197 21 H 1S -0.08256 0.07703 -0.10019 0.01385 -0.07129 198 2S -0.07440 -0.00159 -0.20929 0.05349 0.00438 199 22 C 1S -0.00965 -0.00710 -0.00298 0.00681 -0.02176 200 2S -0.13510 0.14643 -0.05494 -0.07762 -0.22758 201 2PX -0.05466 -0.04462 0.03611 -0.01572 0.02860 202 2PY 0.06363 -0.11642 0.03459 0.05206 0.02296 203 2PZ -0.02911 -0.09626 0.01001 0.04335 0.09566 204 3S 0.45416 -0.19425 0.77485 -0.25448 0.60976 205 3PX 0.05311 0.03995 -0.22585 0.05112 0.00906 206 3PY -0.14312 0.08706 -0.50442 -0.07146 0.06178 207 3PZ -0.32692 0.11010 -0.36142 0.21340 -0.30706 208 4XX -0.16612 0.00566 -0.02667 0.04020 -0.25835 209 4YY 0.03980 0.09458 -0.02311 0.15494 0.01312 210 4ZZ 0.10721 -0.07288 0.04168 -0.17585 0.18383 211 4XY -0.04671 0.02570 -0.00929 0.02353 0.06817 212 4XZ -0.09564 -0.07492 0.01934 -0.04186 0.13350 213 4YZ -0.04664 -0.07106 0.02666 0.13526 0.04644 214 23 H 1S 0.04254 0.09077 0.04885 -0.05832 -0.19392 215 2S 0.06664 -0.06624 0.15702 -0.00470 0.06742 156 157 158 159 160 V V V V V Eigenvalues -- 1.91044 1.91981 1.92517 1.94246 1.98307 1 1 C 1S 0.02672 0.01793 -0.04819 0.00876 0.03813 2 2S 0.09040 0.40733 -0.25090 0.20638 0.60652 3 2PX -0.08454 0.02393 0.03072 -0.00002 -0.03313 4 2PY -0.03450 -0.04700 0.01898 0.07183 -0.06237 5 2PZ -0.02882 0.04392 0.10104 0.05636 0.08270 6 3S -0.57635 -0.89721 1.04890 -0.67306 -3.61866 7 3PX 0.00711 -0.21950 -0.44232 -0.17135 -0.61059 8 3PY 0.11312 -0.12417 0.50124 -0.18750 1.35726 9 3PZ -0.29953 -0.29449 -0.49173 -0.24736 -1.08610 10 4XX 0.08154 0.14817 -0.03190 -0.09429 -0.01875 11 4YY 0.10514 -0.14822 0.03066 0.13810 0.02473 12 4ZZ -0.16944 0.02360 -0.02764 -0.10805 -0.05606 13 4XY 0.06829 -0.06122 -0.09213 -0.02378 0.16624 14 4XZ -0.04508 -0.16975 -0.04712 -0.09696 -0.21957 15 4YZ -0.00751 -0.06771 0.05266 -0.01489 0.02465 16 2 C 1S 0.02672 0.01794 0.04819 0.00877 -0.03813 17 2S 0.09041 0.40735 0.25085 0.20640 -0.60656 18 2PX -0.08454 0.02393 -0.03072 -0.00002 0.03312 19 2PY 0.03450 0.04701 0.01898 -0.07183 -0.06239 20 2PZ -0.02883 0.04391 -0.10104 0.05636 -0.08273 21 3S -0.57641 -0.89734 -1.04876 -0.67320 3.61889 22 3PX 0.00713 -0.21948 0.44233 -0.17137 0.61054 23 3PY -0.11311 0.12421 0.50122 0.18744 1.35715 24 3PZ -0.29952 -0.29445 0.49178 -0.24740 1.08607 25 4XX 0.08154 0.14817 0.03190 -0.09429 0.01860 26 4YY 0.10514 -0.14822 -0.03067 0.13810 -0.02467 27 4ZZ -0.16944 0.02360 0.02764 -0.10805 0.05613 28 4XY -0.06829 0.06122 -0.09213 0.02377 0.16630 29 4XZ -0.04507 -0.16975 0.04714 -0.09697 0.21960 30 4YZ 0.00752 0.06771 0.05265 0.01489 0.02475 31 3 C 1S 0.01159 -0.01556 -0.00002 -0.00651 -0.00398 32 2S -0.19554 -0.13498 -0.03708 0.15512 0.09930 33 2PX -0.05189 -0.02094 0.04307 -0.03692 0.08127 34 2PY 0.00876 0.02700 0.05524 0.05361 -0.10911 35 2PZ -0.02636 0.02021 0.00318 0.04270 -0.02373 36 3S -0.18635 0.94946 0.62697 -0.42824 -0.44921 37 3PX -0.26746 -0.11301 -0.40097 -0.24805 0.43046 38 3PY 1.28199 0.46603 -1.78536 0.77681 -2.30788 39 3PZ 0.30528 0.08831 -0.62068 -0.31654 -0.07374 40 4XX 0.18812 0.04931 -0.00616 -0.00282 -0.19026 41 4YY -0.29607 -0.04855 -0.00659 -0.03357 0.41376 42 4ZZ 0.20354 0.08276 0.00103 0.03405 -0.30055 43 4XY -0.01345 0.01267 -0.11336 0.05713 -0.09203 44 4XZ 0.07525 -0.09860 0.08741 -0.02637 0.07491 45 4YZ -0.02124 0.01097 -0.07660 -0.00730 0.07788 46 4 C 1S 0.01944 0.01389 -0.01251 0.00021 -0.01473 47 2S -0.02990 0.21560 -0.11462 0.01767 -0.17232 48 2PX -0.02148 0.03250 0.00822 0.05265 -0.03017 49 2PY 0.00970 0.02932 0.00985 0.05944 -0.11444 50 2PZ -0.05143 0.01840 -0.03233 0.03035 -0.03333 51 3S -0.50421 -0.66361 2.06696 0.31854 2.25087 52 3PX 0.12319 0.13968 -0.72194 0.07731 -0.43206 53 3PY 0.06903 0.13695 0.98483 -0.43732 1.15870 54 3PZ 0.05079 0.13742 -0.72865 0.14790 -0.26618 55 4XX -0.12395 0.05296 0.01208 0.09994 0.12499 56 4YY 0.10373 -0.11417 0.02146 -0.06213 -0.03407 57 4ZZ 0.02075 0.09767 -0.01661 -0.00138 -0.07769 58 4XY 0.17117 -0.09874 0.02286 -0.11024 -0.12726 59 4XZ -0.37732 -0.12766 -0.08709 0.06298 0.23130 60 4YZ 0.28166 -0.05310 -0.01632 -0.12372 -0.02942 61 5 C 1S 0.01944 0.01389 0.01250 0.00021 0.01473 62 2S -0.02989 0.21560 0.11459 0.01766 0.17240 63 2PX -0.02148 0.03251 -0.00823 0.05265 0.03015 64 2PY -0.00970 -0.02932 0.00986 -0.05943 -0.11443 65 2PZ -0.05143 0.01840 0.03234 0.03035 0.03332 66 3S -0.50429 -0.66378 -2.06687 0.31859 -2.25117 67 3PX 0.12323 0.13974 0.72191 0.07730 0.43210 68 3PY -0.06899 -0.13688 0.98485 0.43730 1.15860 69 3PZ 0.05082 0.13748 0.72863 0.14789 0.26628 70 4XX -0.12395 0.05296 -0.01209 0.09994 -0.12493 71 4YY 0.10372 -0.11417 -0.02145 -0.06213 0.03407 72 4ZZ 0.02075 0.09767 0.01661 -0.00138 0.07761 73 4XY -0.17117 0.09874 0.02286 0.11024 -0.12729 74 4XZ -0.37731 -0.12765 0.08712 0.06299 -0.23138 75 4YZ -0.28166 0.05310 -0.01631 0.12372 -0.02941 76 6 C 1S 0.01159 -0.01556 0.00002 -0.00651 0.00398 77 2S -0.19553 -0.13497 0.03710 0.15512 -0.09925 78 2PX -0.05189 -0.02095 -0.04307 -0.03692 -0.08129 79 2PY -0.00876 -0.02699 0.05524 -0.05361 -0.10916 80 2PZ -0.02636 0.02021 -0.00318 0.04270 0.02370 81 3S -0.18638 0.94939 -0.62705 -0.42827 0.44918 82 3PX -0.26743 -0.11295 0.40103 -0.24802 -0.43020 83 3PY -1.28206 -0.46617 -1.78524 -0.77676 -2.30805 84 3PZ 0.30530 0.08838 0.62067 -0.31653 0.07387 85 4XX 0.18812 0.04931 0.00615 -0.00282 0.19029 86 4YY -0.29606 -0.04855 0.00661 -0.03356 -0.41378 87 4ZZ 0.20353 0.08276 -0.00105 0.03404 0.30055 88 4XY 0.01346 -0.01268 -0.11336 -0.05713 -0.09205 89 4XZ 0.07524 -0.09860 -0.08740 -0.02637 -0.07494 90 4YZ 0.02124 -0.01098 -0.07660 0.00729 0.07790 91 7 H 1S 0.07439 0.04388 -0.25761 0.06903 0.09764 92 2S -0.00307 0.02000 -0.37756 -0.00483 -0.27694 93 8 H 1S 0.07441 0.04391 0.25761 0.06904 -0.09779 94 2S -0.00306 0.02004 0.37756 -0.00484 0.27693 95 9 H 1S 0.41721 0.01143 0.17351 -0.24134 -0.14013 96 2S -0.04672 0.07489 0.33072 -0.09726 0.17700 97 10 H 1S 0.41720 0.01141 -0.17353 -0.24135 0.14019 98 2S -0.04673 0.07487 -0.33072 -0.09726 -0.17701 99 11 O 1S -0.02629 0.00115 0.03107 -0.01603 0.03123 100 2S -0.32478 -0.09713 0.55429 -0.28361 0.27949 101 2PX -0.06253 -0.00299 -0.05433 0.01546 0.04464 102 2PY 0.15584 0.00796 0.04892 -0.00475 -0.26806 103 2PZ 0.03737 0.02314 -0.04692 -0.00210 -0.03535 104 3S 1.58768 0.24186 -2.17313 1.10095 -1.97023 105 3PX 0.02572 0.00185 0.24920 -0.05571 0.02392 106 3PY 0.37919 0.05309 -0.57281 0.30262 -0.37590 107 3PZ -0.02593 -0.03532 0.09836 0.07680 -0.02919 108 4XX 0.03668 0.05853 0.14893 -0.01928 -0.07091 109 4YY -0.12642 -0.05285 0.16757 -0.08570 0.10812 110 4ZZ -0.04967 -0.00370 -0.00134 -0.04588 0.05937 111 4XY 0.10284 -0.02508 0.02552 0.04512 -0.06498 112 4XZ -0.03539 0.57453 0.25699 0.02494 0.01679 113 4YZ -0.08942 0.00151 0.10595 0.03989 0.07303 114 12 O 1S -0.02629 0.00115 -0.03107 -0.01603 -0.03123 115 2S -0.32480 -0.09718 -0.55426 -0.28361 -0.27953 116 2PX -0.06252 -0.00298 0.05433 0.01546 -0.04463 117 2PY -0.15584 -0.00795 0.04893 0.00476 -0.26808 118 2PZ 0.03737 0.02315 0.04692 -0.00210 0.03534 119 3S 1.58778 0.24205 2.17301 1.10091 1.97042 120 3PX 0.02571 0.00182 -0.24919 -0.05570 -0.02397 121 3PY -0.37922 -0.05314 -0.57278 -0.30262 -0.37594 122 3PZ -0.02593 -0.03533 -0.09836 0.07680 0.02921 123 4XX 0.03668 0.05852 -0.14894 -0.01928 0.07090 124 4YY -0.12643 -0.05287 -0.16756 -0.08570 -0.10815 125 4ZZ -0.04967 -0.00370 0.00134 -0.04588 -0.05935 126 4XY -0.10284 0.02508 0.02552 -0.04512 -0.06494 127 4XZ -0.03540 0.57451 -0.25705 0.02494 -0.01675 128 4YZ 0.08943 -0.00149 0.10595 -0.03989 0.07297 129 13 C 1S 0.01103 0.01708 0.00000 -0.01870 0.00000 130 2S 0.14356 0.04690 -0.00002 0.21432 -0.00004 131 2PX -0.01597 -0.01952 0.00000 0.07114 0.00000 132 2PY 0.00001 0.00002 0.41021 0.00001 -0.03747 133 2PZ -0.00295 -0.02640 0.00000 0.06608 0.00000 134 3S -0.87714 -0.46424 0.00010 0.00983 0.00017 135 3PX -0.16888 -0.04815 0.00001 -0.23271 0.00001 136 3PY 0.00001 0.00002 0.34366 0.00000 -0.08832 137 3PZ -0.48593 -0.05719 0.00005 -0.20096 0.00000 138 4XX -0.06069 -0.09249 0.00000 0.11227 0.00002 139 4YY -0.00087 0.13188 0.00000 -0.31795 -0.00004 140 4ZZ 0.05337 -0.05483 0.00000 0.20865 0.00003 141 4XY -0.00001 -0.00001 -0.26281 0.00000 -0.10459 142 4XZ -0.11964 0.08319 0.00001 -0.11745 -0.00002 143 4YZ 0.00000 0.00000 -0.12568 0.00000 -0.20741 144 14 H 1S -0.04814 0.10873 0.00000 -0.18052 -0.00004 145 2S -0.08994 -0.04255 0.00002 -0.04008 -0.00002 146 15 H 1S 0.08132 0.13687 -0.00001 -0.16433 -0.00003 147 2S 0.05100 -0.01162 -0.00001 -0.00318 0.00000 148 16 C 1S -0.01805 -0.00888 -0.04253 -0.00645 0.03348 149 2S -0.27866 -0.12811 -0.92341 -0.30590 0.18901 150 2PX -0.04095 0.02584 0.05666 -0.14800 0.04508 151 2PY -0.00443 -0.02640 -0.22158 -0.02646 -0.09091 152 2PZ -0.05686 0.01062 0.18097 -0.25757 0.07647 153 3S 0.99262 0.36113 3.12377 0.40904 -0.77232 154 3PX 0.10000 0.00066 0.18748 0.22787 -0.26598 155 3PY 0.42639 0.07308 2.21671 -0.08341 -0.32679 156 3PZ 0.18864 -0.04562 0.36113 0.20422 -0.32117 157 4XX -0.00641 -0.05269 -0.00333 -0.09023 -0.04197 158 4YY -0.07538 0.01627 -0.09481 -0.09380 0.22790 159 4ZZ 0.07749 0.03192 0.11157 0.14517 -0.14435 160 4XY -0.04566 -0.02129 -0.21384 0.10076 0.02685 161 4XZ -0.03476 0.07797 0.06876 -0.02869 -0.09614 162 4YZ 0.01753 -0.07332 -0.11975 0.22018 -0.07023 163 17 H 1S 0.03706 -0.02864 0.31917 -0.09103 -0.12018 164 2S 0.08917 0.00081 0.46654 -0.04944 -0.06188 165 18 C 1S 0.00258 -0.00117 0.01797 -0.00276 -0.00170 166 2S 0.00368 -0.08275 0.46904 -0.11785 0.14187 167 2PX 0.04163 0.00039 0.03362 -0.02600 -0.01047 168 2PY -0.00518 -0.03536 0.08198 0.11808 -0.05312 169 2PZ 0.05854 0.04873 -0.00065 0.03488 -0.14676 170 3S -0.50570 -0.09067 -3.62235 -0.05733 0.31864 171 3PX -0.04656 -0.02857 0.28816 -0.03361 0.02496 172 3PY 0.09769 0.14488 -1.34519 -0.01568 -0.11621 173 3PZ 0.09996 -0.07569 1.55970 -0.22908 -0.04519 174 4XX -0.06891 0.00485 -0.05699 -0.03874 0.03175 175 4YY 0.03053 0.00845 0.04197 -0.21252 0.01067 176 4ZZ 0.01150 -0.01106 -0.06027 0.26742 -0.01155 177 4XY 0.00427 0.03661 -0.03189 0.06732 0.05293 178 4XZ 0.02798 0.02672 0.01112 -0.02339 -0.02590 179 4YZ 0.06498 -0.01623 0.11229 0.34319 -0.11112 180 19 H 1S 0.03548 0.02395 -0.00238 0.21928 -0.04061 181 2S 0.09145 0.09361 -0.45714 0.00922 -0.06497 182 20 C 1S -0.01805 -0.00887 0.04254 -0.00645 -0.03348 183 2S -0.27861 -0.12802 0.92346 -0.30587 -0.18894 184 2PX -0.04096 0.02583 -0.05666 -0.14800 -0.04509 185 2PY 0.00442 0.02638 -0.22158 0.02645 -0.09094 186 2PZ -0.05687 0.01060 -0.18096 -0.25756 -0.07647 187 3S 0.99249 0.36083 -3.12397 0.40895 0.77216 188 3PX 0.10000 0.00065 -0.18749 0.22786 0.26601 189 3PY -0.42629 -0.07287 2.21677 0.08349 -0.32670 190 3PZ 0.18863 -0.04565 -0.36116 0.20419 0.32120 191 4XX -0.00641 -0.05268 0.00333 -0.09022 0.04199 192 4YY -0.07538 0.01628 0.09482 -0.09380 -0.22790 193 4ZZ 0.07748 0.03191 -0.11158 0.14517 0.14433 194 4XY 0.04565 0.02127 -0.21384 -0.10077 0.02686 195 4XZ -0.03476 0.07796 -0.06876 -0.02869 0.09610 196 4YZ -0.01754 0.07331 -0.11975 -0.22018 -0.07024 197 21 H 1S 0.03704 -0.02867 -0.31916 -0.09105 0.12018 198 2S 0.08915 0.00076 -0.46654 -0.04946 0.06187 199 22 C 1S 0.00258 -0.00117 -0.01798 -0.00276 0.00170 200 2S 0.00367 -0.08280 -0.46903 -0.11785 -0.14188 201 2PX 0.04163 0.00039 -0.03362 -0.02600 0.01046 202 2PY 0.00519 0.03537 0.08197 -0.11807 -0.05310 203 2PZ 0.05854 0.04873 0.00064 0.03487 0.14674 204 3S -0.50557 -0.09031 3.62242 -0.05725 -0.31860 205 3PX -0.04657 -0.02861 -0.28816 -0.03362 -0.02493 206 3PY -0.09773 -0.14501 -1.34518 0.01566 -0.11622 207 3PZ 0.09990 -0.07585 -1.55971 -0.22911 0.04519 208 4XX -0.06891 0.00486 0.05700 -0.03873 -0.03177 209 4YY 0.03053 0.00845 -0.04197 -0.21253 -0.01064 210 4ZZ 0.01151 -0.01106 0.06027 0.26741 0.01153 211 4XY -0.00427 -0.03661 -0.03189 -0.06732 0.05295 212 4XZ 0.02798 0.02672 -0.01112 -0.02339 0.02584 213 4YZ -0.06497 0.01624 0.11230 -0.34318 -0.11111 214 23 H 1S 0.03548 0.02395 0.00238 0.21928 0.04062 215 2S 0.09147 0.09365 0.45713 0.00922 0.06496 161 162 163 164 165 V V V V V Eigenvalues -- 1.98587 2.02451 2.04221 2.05221 2.08274 1 1 C 1S -0.01780 0.01562 0.00086 -0.00204 0.01221 2 2S -0.10912 0.27771 0.22866 0.38413 0.20714 3 2PX -0.03385 0.01399 0.01410 -0.05296 -0.01781 4 2PY 0.05577 0.11815 -0.05266 -0.23964 0.13055 5 2PZ -0.08048 0.06131 0.06323 0.05516 0.06508 6 3S 0.71858 -1.70719 0.24220 0.03619 -0.42124 7 3PX -0.07005 0.13250 0.01388 0.12513 0.49315 8 3PY 0.35137 1.00055 0.19658 0.66609 -0.07005 9 3PZ -0.02559 -0.84327 -0.04359 -0.01537 -0.06892 10 4XX -0.38004 0.12908 0.01206 0.15945 0.22548 11 4YY 0.11124 -0.04842 -0.13296 -0.36985 -0.10258 12 4ZZ 0.23579 -0.10210 0.11249 0.23255 -0.14058 13 4XY -0.12553 -0.17237 -0.03828 0.16916 -0.05956 14 4XZ 0.07734 0.23644 -0.09147 -0.07996 0.00929 15 4YZ -0.26228 -0.06537 -0.00969 0.13438 -0.12936 16 2 C 1S -0.01779 -0.01562 0.00086 -0.00204 -0.01221 17 2S -0.10890 -0.27771 0.22865 0.38412 -0.20715 18 2PX -0.03387 -0.01399 0.01410 -0.05296 0.01781 19 2PY -0.05575 0.11815 0.05266 0.23964 0.13055 20 2PZ -0.08045 -0.06131 0.06323 0.05516 -0.06508 21 3S 0.71729 1.70723 0.24225 0.03623 0.42124 22 3PX -0.07021 -0.13251 0.01388 0.12514 -0.49315 23 3PY -0.35185 1.00051 -0.19656 -0.66608 -0.07005 24 3PZ -0.02598 0.84327 -0.04358 -0.01538 0.06892 25 4XX -0.38004 -0.12908 0.01206 0.15945 -0.22549 26 4YY 0.11125 0.04841 -0.13296 -0.36985 0.10259 27 4ZZ 0.23576 0.10211 0.11248 0.23255 0.14057 28 4XY 0.12547 -0.17237 0.03828 -0.16914 -0.05956 29 4XZ 0.07726 -0.23644 -0.09147 -0.07995 -0.00928 30 4YZ 0.26227 -0.06537 0.00969 -0.13438 -0.12936 31 3 C 1S -0.00808 0.01538 -0.00646 0.01441 -0.00525 32 2S 0.12599 0.11376 0.13358 -0.18082 -0.11307 33 2PX -0.06126 0.03922 0.03751 0.03432 0.04114 34 2PY 0.11470 0.14940 0.14254 -0.19772 -0.01368 35 2PZ -0.09432 -0.00685 0.05915 -0.02309 -0.06963 36 3S -0.04884 -0.39842 0.15078 -0.64588 0.16760 37 3PX 0.66141 0.01132 0.42803 0.02913 0.28605 38 3PY 0.36073 -1.02612 -0.36648 0.89733 0.22141 39 3PZ 0.41961 -0.58232 0.42351 0.27449 -0.29709 40 4XX 0.06755 0.06188 -0.08842 0.00224 0.04381 41 4YY -0.03438 -0.25949 -0.07493 0.05050 -0.00858 42 4ZZ -0.00521 0.18468 0.15425 -0.01303 -0.06780 43 4XY 0.07083 0.04135 0.00007 -0.03198 0.03545 44 4XZ -0.07918 0.06179 0.04833 -0.08513 0.20811 45 4YZ -0.06177 -0.08930 0.00109 0.00045 0.01180 46 4 C 1S 0.01134 -0.00201 -0.01533 0.00411 0.00034 47 2S 0.21991 0.03675 -0.40616 0.07503 -0.12302 48 2PX -0.06447 -0.00283 0.10746 -0.03268 0.06268 49 2PY -0.01955 0.08679 -0.22305 0.07883 0.06674 50 2PZ -0.03692 -0.00648 0.10153 -0.03416 0.06060 51 3S -0.86142 0.84651 -0.17120 -0.13254 0.06180 52 3PX 0.13266 -0.54232 -0.08743 0.11682 -0.31970 53 3PY 0.32077 0.20570 0.67700 -0.28585 -0.06219 54 3PZ 0.26493 -0.41222 -0.09188 0.07738 0.15728 55 4XX 0.13744 0.12114 -0.33443 0.03730 0.32538 56 4YY 0.02866 0.04425 0.44932 -0.10075 0.03559 57 4ZZ -0.20264 -0.16393 -0.24663 0.11052 -0.34775 58 4XY 0.07480 0.04402 -0.15390 0.09965 -0.06185 59 4XZ -0.22384 -0.09690 0.01108 0.02463 0.13076 60 4YZ -0.03007 0.08192 -0.11387 0.14737 0.12865 61 5 C 1S 0.01134 0.00201 -0.01533 0.00411 -0.00034 62 2S 0.21986 -0.03674 -0.40615 0.07504 0.12302 63 2PX -0.06448 0.00282 0.10745 -0.03268 -0.06268 64 2PY 0.01959 0.08679 0.22305 -0.07883 0.06673 65 2PZ -0.03693 0.00648 0.10153 -0.03416 -0.06059 66 3S -0.86069 -0.84655 -0.17122 -0.13254 -0.06180 67 3PX 0.13253 0.54232 -0.08741 0.11681 0.31970 68 3PY -0.32113 0.20570 -0.67700 0.28585 -0.06219 69 3PZ 0.26486 0.41224 -0.09187 0.07737 -0.15728 70 4XX 0.13749 -0.12113 -0.33444 0.03730 -0.32537 71 4YY 0.02864 -0.04425 0.44932 -0.10075 -0.03559 72 4ZZ -0.20267 0.16393 -0.24663 0.11053 0.34775 73 4XY -0.07475 0.04401 0.15388 -0.09965 -0.06185 74 4XZ -0.22375 0.09689 0.01108 0.02462 -0.13076 75 4YZ 0.03007 0.08192 0.11387 -0.14737 0.12865 76 6 C 1S -0.00808 -0.01538 -0.00646 0.01441 0.00524 77 2S 0.12602 -0.11376 0.13358 -0.18082 0.11307 78 2PX -0.06123 -0.03923 0.03751 0.03432 -0.04114 79 2PY -0.11466 0.14940 -0.14253 0.19771 -0.01368 80 2PZ -0.09433 0.00685 0.05914 -0.02309 0.06963 81 3S -0.04899 0.39841 0.15079 -0.64588 -0.16758 82 3PX 0.66157 -0.01127 0.42803 0.02913 -0.28605 83 3PY -0.35996 -1.02615 0.36647 -0.89733 0.22143 84 3PZ 0.41956 0.58235 0.42352 0.27448 0.29709 85 4XX 0.06748 -0.06188 -0.08842 0.00224 -0.04382 86 4YY -0.03423 0.25949 -0.07493 0.05048 0.00859 87 4ZZ -0.00531 -0.18468 0.15425 -0.01302 0.06780 88 4XY -0.07080 0.04135 -0.00008 0.03198 0.03545 89 4XZ -0.07915 -0.06179 0.04833 -0.08514 -0.20811 90 4YZ 0.06174 -0.08930 -0.00109 -0.00044 0.01179 91 7 H 1S -0.41607 -0.19663 -0.04298 0.02474 0.07902 92 2S -0.01622 -0.15404 -0.03803 -0.05921 0.08996 93 8 H 1S -0.41603 0.19661 -0.04298 0.02473 -0.07902 94 2S -0.01631 0.15403 -0.03803 -0.05921 -0.08995 95 9 H 1S 0.18526 0.17629 0.00170 0.03867 -0.01531 96 2S -0.01285 0.14906 0.16398 -0.09458 0.01317 97 10 H 1S 0.18521 -0.17628 0.00170 0.03868 0.01531 98 2S -0.01280 -0.14906 0.16398 -0.09458 -0.01317 99 11 O 1S -0.00629 0.00747 0.00080 -0.00920 -0.00221 100 2S -0.07592 0.39186 0.15196 -0.30744 0.02896 101 2PX 0.02557 -0.02214 0.03004 0.00783 0.04478 102 2PY 0.04602 0.21128 0.07000 -0.07172 0.03707 103 2PZ -0.04768 -0.02831 0.05948 0.00740 -0.05580 104 3S 0.38857 -1.02284 -0.41278 1.09009 0.01764 105 3PX -0.15992 0.03382 -0.10340 -0.05858 -0.13799 106 3PY 0.07203 -0.31331 -0.12165 0.29625 -0.05578 107 3PZ 0.04526 0.12028 -0.16430 -0.01908 0.16128 108 4XX -0.03425 0.05683 0.14250 -0.00176 -0.01654 109 4YY -0.06970 0.07207 0.04285 -0.12015 -0.05028 110 4ZZ 0.07119 0.08259 -0.12862 -0.00463 0.06755 111 4XY -0.11484 -0.06596 -0.22926 -0.04683 -0.14075 112 4XZ 0.09555 0.00948 0.03636 -0.07325 -0.23936 113 4YZ 0.15567 0.18726 -0.22820 -0.07216 0.19932 114 12 O 1S -0.00628 -0.00747 0.00080 -0.00920 0.00221 115 2S -0.07583 -0.39187 0.15195 -0.30742 -0.02896 116 2PX 0.02559 0.02214 0.03004 0.00783 -0.04478 117 2PY -0.04592 0.21129 -0.07000 0.07171 0.03707 118 2PZ -0.04769 0.02831 0.05948 0.00740 0.05580 119 3S 0.38793 1.02288 -0.41277 1.09007 -0.01767 120 3PX -0.15992 -0.03382 -0.10341 -0.05857 0.13799 121 3PY -0.07191 -0.31332 0.12164 -0.29625 -0.05577 122 3PZ 0.04526 -0.12028 -0.16430 -0.01909 -0.16128 123 4XX -0.03428 -0.05683 0.14249 -0.00175 0.01655 124 4YY -0.06966 -0.07208 0.04285 -0.12015 0.05028 125 4ZZ 0.07121 -0.08259 -0.12862 -0.00463 -0.06755 126 4XY 0.11486 -0.06595 0.22926 0.04683 -0.14076 127 4XZ 0.09555 -0.00948 0.03636 -0.07325 0.23936 128 4YZ -0.15570 0.18726 0.22820 0.07217 0.19932 129 13 C 1S -0.01643 0.00000 -0.01133 -0.06779 0.00000 130 2S -0.27759 -0.00001 0.04316 -0.72093 0.00002 131 2PX -0.01193 0.00000 0.03748 -0.05014 0.00000 132 2PY 0.00001 -0.16681 0.00000 0.00000 0.02069 133 2PZ -0.01946 0.00000 0.04918 -0.04355 0.00000 134 3S 1.15465 0.00002 0.41398 2.90692 -0.00004 135 3PX 0.08321 0.00002 -0.03840 0.79612 -0.00002 136 3PY 0.00002 -0.08538 0.00000 0.00000 -0.15648 137 3PZ 0.11134 -0.00001 -0.01469 0.65388 -0.00001 138 4XX 0.10734 0.00000 0.02848 0.16197 -0.00001 139 4YY -0.21506 -0.00001 -0.07120 -0.32282 0.00000 140 4ZZ 0.17340 0.00001 0.03852 0.17154 0.00000 141 4XY 0.00002 0.00515 0.00000 0.00000 0.08702 142 4XZ -0.12391 0.00000 -0.12684 0.07813 -0.00001 143 4YZ 0.00004 -0.27067 0.00000 0.00000 0.02958 144 14 H 1S -0.19990 -0.00001 -0.07204 -0.32371 0.00000 145 2S -0.10879 -0.00001 -0.02968 0.07937 0.00000 146 15 H 1S -0.20624 0.00000 -0.10498 -0.24956 0.00000 147 2S -0.03623 0.00000 -0.01687 -0.00945 0.00000 148 16 C 1S 0.00498 0.04551 0.00298 0.01097 0.01046 149 2S 0.23916 0.39322 0.10381 0.31484 0.15175 150 2PX -0.03251 0.03861 -0.01756 0.01501 -0.03242 151 2PY 0.08901 -0.02499 0.04122 0.03868 0.07052 152 2PZ 0.02878 0.05123 -0.02256 0.00342 -0.08035 153 3S -0.60134 -1.50549 -0.30804 -1.31622 -0.74273 154 3PX 0.04911 -0.35917 0.06083 0.10940 -0.01637 155 3PY -0.29850 -1.16237 -0.22257 -0.79349 -0.01093 156 3PZ 0.08250 -0.58928 0.02450 0.20418 0.18673 157 4XX 0.06166 -0.10077 -0.02696 0.00733 0.04059 158 4YY 0.01194 0.35123 -0.02931 0.02715 -0.27093 159 4ZZ -0.06581 -0.20130 0.05486 -0.06168 0.19302 160 4XY -0.01797 0.10878 0.08143 0.07822 -0.07431 161 4XZ -0.12303 -0.12264 -0.07225 -0.13027 0.12743 162 4YZ 0.00269 -0.03864 -0.01169 -0.01967 0.00227 163 17 H 1S 0.01922 -0.33779 0.00706 -0.04717 0.26312 164 2S -0.03836 -0.30802 -0.06482 -0.11645 0.02033 165 18 C 1S -0.00046 -0.01119 -0.00725 0.00883 -0.00410 166 2S -0.01634 0.06859 -0.05068 0.17352 -0.11893 167 2PX -0.03919 -0.02225 0.02725 -0.05995 0.02192 168 2PY -0.03963 -0.06874 -0.02832 0.00661 0.11904 169 2PZ -0.06488 -0.17383 0.02513 -0.13320 0.10344 170 3S 0.14802 1.43054 0.10861 -0.02705 0.31371 171 3PX 0.08975 -0.02168 -0.05797 0.08179 -0.12113 172 3PY 0.03667 0.28048 0.11504 0.12722 -0.00133 173 3PZ 0.01487 -0.45500 -0.17188 -0.06503 -0.35924 174 4XX -0.03023 0.00924 -0.08938 0.07616 -0.06398 175 4YY 0.09826 0.02415 0.01138 -0.05934 0.03030 176 4ZZ -0.06648 0.00317 0.04704 0.01444 0.00936 177 4XY -0.03978 0.10922 -0.02565 0.04233 0.00645 178 4XZ -0.17166 -0.00250 -0.04410 -0.31089 0.03849 179 4YZ -0.02958 -0.17968 -0.01694 0.05553 0.16497 180 19 H 1S 0.00112 -0.09826 0.00607 0.15478 0.10484 181 2S -0.04361 0.09553 0.08236 -0.00824 0.03396 182 20 C 1S 0.00499 -0.04551 0.00298 0.01097 -0.01046 183 2S 0.23926 -0.39321 0.10380 0.31483 -0.15175 184 2PX -0.03250 -0.03861 -0.01756 0.01501 0.03242 185 2PY -0.08898 -0.02500 -0.04122 -0.03868 0.07052 186 2PZ 0.02881 -0.05123 -0.02256 0.00342 0.08035 187 3S -0.60172 1.50547 -0.30798 -1.31621 0.74276 188 3PX 0.04900 0.35916 0.06084 0.10940 0.01637 189 3PY 0.29870 -1.16236 0.22254 0.79350 -0.01094 190 3PZ 0.08237 0.58931 0.02451 0.20417 -0.18675 191 4XX 0.06164 0.10077 -0.02696 0.00734 -0.04059 192 4YY 0.01203 -0.35123 -0.02931 0.02716 0.27093 193 4ZZ -0.06587 0.20129 0.05486 -0.06168 -0.19301 194 4XY 0.01795 0.10879 -0.08143 -0.07822 -0.07431 195 4XZ -0.12307 0.12264 -0.07224 -0.13027 -0.12744 196 4YZ -0.00267 -0.03864 0.01168 0.01967 0.00228 197 21 H 1S 0.01916 0.33779 0.00706 -0.04717 -0.26312 198 2S -0.03840 0.30802 -0.06481 -0.11646 -0.02033 199 22 C 1S -0.00047 0.01118 -0.00725 0.00883 0.00410 200 2S -0.01629 -0.06860 -0.05068 0.17352 0.11892 201 2PX -0.03920 0.02225 0.02725 -0.05995 -0.02191 202 2PY 0.03966 -0.06873 0.02832 -0.00660 0.11905 203 2PZ -0.06494 0.17383 0.02513 -0.13320 -0.10343 204 3S 0.14823 -1.43054 0.10855 -0.02705 -0.31369 205 3PX 0.08977 0.02169 -0.05797 0.08179 0.12112 206 3PY -0.03665 0.28046 -0.11503 -0.12722 -0.00134 207 3PZ 0.01482 0.45499 -0.17185 -0.06502 0.35923 208 4XX -0.03022 -0.00925 -0.08938 0.07616 0.06397 209 4YY 0.09826 -0.02414 0.01138 -0.05934 -0.03028 210 4ZZ -0.06648 -0.00316 0.04704 0.01445 -0.00936 211 4XY 0.03976 0.10922 0.02565 -0.04233 0.00645 212 4XZ -0.17167 0.00249 -0.04410 -0.31089 -0.03848 213 4YZ 0.02963 -0.17969 0.01694 -0.05553 0.16498 214 23 H 1S 0.00109 0.09828 0.00606 0.15478 -0.10485 215 2S -0.04363 -0.09553 0.08236 -0.00824 -0.03395 166 167 168 169 170 V V V V V Eigenvalues -- 2.09859 2.10508 2.11488 2.13663 2.20201 1 1 C 1S -0.00503 0.00186 0.00286 -0.00662 0.01483 2 2S -0.07617 -0.06188 -0.36544 -0.40059 0.45221 3 2PX 0.05173 -0.01237 -0.03329 -0.13725 0.01596 4 2PY -0.02958 -0.03760 0.17307 -0.12412 -0.12842 5 2PZ -0.02650 -0.04096 -0.07981 -0.13207 0.04173 6 3S 0.23174 -0.30221 0.05280 0.83056 0.01471 7 3PX -0.27500 -0.03922 0.19433 0.32882 0.22593 8 3PY 0.32196 0.33516 -0.67748 -0.46277 0.74540 9 3PZ -0.18778 0.05730 0.58686 0.50791 -0.40827 10 4XX -0.10265 -0.05449 0.02404 0.10956 -0.11571 11 4YY 0.00440 0.03792 0.16805 0.09343 -0.06649 12 4ZZ 0.10819 0.02004 -0.15548 -0.14051 0.14050 13 4XY 0.03159 0.07599 -0.04175 0.17956 0.04042 14 4XZ -0.03038 -0.03313 -0.26527 0.10342 0.24823 15 4YZ -0.08940 -0.02552 0.11298 -0.07616 -0.05710 16 2 C 1S -0.00503 -0.00186 0.00286 0.00662 0.01481 17 2S -0.07618 0.06192 -0.36539 0.40060 0.45179 18 2PX 0.05173 0.01239 -0.03328 0.13725 0.01603 19 2PY 0.02959 -0.03756 -0.17308 -0.12411 0.12844 20 2PZ -0.02650 0.04097 -0.07980 0.13208 0.04172 21 3S 0.23172 0.30223 0.05264 -0.83055 0.01735 22 3PX -0.27500 0.03911 0.19424 -0.32880 0.22610 23 3PY -0.32201 0.33499 0.67746 -0.46280 -0.74437 24 3PZ -0.18776 -0.05745 0.58677 -0.50792 -0.40747 25 4XX -0.10267 0.05447 0.02403 -0.10956 -0.11552 26 4YY 0.00440 -0.03795 0.16804 -0.09344 -0.06648 27 4ZZ 0.10821 -0.02000 -0.15547 0.14052 0.14037 28 4XY -0.03160 0.07598 0.04176 0.17956 -0.04038 29 4XZ -0.03040 0.03317 -0.26527 -0.10340 0.24808 30 4YZ 0.08940 -0.02548 -0.11299 -0.07616 0.05710 31 3 C 1S 0.00339 0.00407 0.00212 0.00206 -0.01277 32 2S 0.04078 0.01281 0.10472 0.35649 -0.11151 33 2PX -0.05171 0.04265 0.01202 -0.02939 0.05194 34 2PY -0.02038 0.05902 0.13387 0.15653 -0.06489 35 2PZ -0.02898 0.02308 0.00036 -0.01977 -0.00360 36 3S -0.55412 0.49276 0.17559 0.33620 0.20012 37 3PX 0.18761 -0.05783 -0.04249 0.37731 0.54382 38 3PY 1.05772 -0.60189 -1.04539 -0.20431 0.70639 39 3PZ 0.14457 0.00563 -0.22282 0.03404 0.79345 40 4XX 0.01220 0.04247 0.15667 0.07495 0.03834 41 4YY -0.04841 -0.00189 -0.12436 0.02923 0.07030 42 4ZZ 0.06297 -0.01575 -0.01762 -0.11408 -0.12257 43 4XY 0.02257 -0.01713 0.03796 0.07318 -0.00087 44 4XZ -0.01776 -0.10707 0.07519 -0.35492 0.04650 45 4YZ -0.02459 -0.01236 0.01358 -0.03258 0.05576 46 4 C 1S 0.00399 0.00252 0.00188 0.00845 0.01058 47 2S 0.00049 0.11734 -0.14678 0.22813 -0.09658 48 2PX 0.00725 -0.04368 0.01423 -0.07902 0.07691 49 2PY 0.01574 -0.01824 -0.09510 -0.15289 0.01662 50 2PZ -0.01050 -0.05069 0.02042 -0.10705 0.05514 51 3S -0.20771 0.04125 0.23579 -0.67064 -0.79532 52 3PX 0.10025 0.09336 -0.16735 0.11828 0.09647 53 3PY -0.13134 0.17253 0.27532 -0.02163 0.29428 54 3PZ 0.18711 0.06472 -0.14789 0.48650 0.21605 55 4XX 0.02946 -0.00506 -0.03663 0.31138 0.07071 56 4YY 0.04103 -0.01376 0.14579 -0.12939 0.06320 57 4ZZ -0.06924 0.00989 -0.11541 -0.21815 -0.10789 58 4XY 0.04208 -0.00012 0.01232 -0.09058 -0.01487 59 4XZ -0.06731 -0.07125 -0.05456 -0.08192 -0.06338 60 4YZ 0.03908 -0.01948 -0.06875 -0.04512 -0.03912 61 5 C 1S 0.00399 -0.00252 0.00187 -0.00845 0.01059 62 2S 0.00051 -0.11731 -0.14682 -0.22812 -0.09647 63 2PX 0.00725 0.04367 0.01424 0.07902 0.07694 64 2PY -0.01574 -0.01826 0.09509 -0.15289 -0.01668 65 2PZ -0.01051 0.05069 0.02044 0.10705 0.05516 66 3S -0.20772 -0.04131 0.23593 0.67063 -0.79694 67 3PX 0.10029 -0.09331 -0.16740 -0.11828 0.09704 68 3PY 0.13133 0.17263 -0.27536 -0.02163 -0.29368 69 3PZ 0.18712 -0.06466 -0.14797 -0.48650 0.21657 70 4XX 0.02944 0.00507 -0.03665 -0.31138 0.07068 71 4YY 0.04103 0.01374 0.14579 0.12939 0.06325 72 4ZZ -0.06923 -0.00988 -0.11539 0.21816 -0.10792 73 4XY -0.04208 -0.00012 -0.01233 -0.09058 0.01477 74 4XZ -0.06732 0.07125 -0.05455 0.08192 -0.06337 75 4YZ -0.03908 -0.01950 0.06875 -0.04512 0.03916 76 6 C 1S 0.00339 -0.00407 0.00212 -0.00206 -0.01278 77 2S 0.04076 -0.01282 0.10472 -0.35650 -0.11181 78 2PX -0.05171 -0.04266 0.01201 0.02939 0.05196 79 2PY 0.02038 0.05905 -0.13385 0.15654 0.06497 80 2PZ -0.02897 -0.02309 0.00036 0.01977 -0.00362 81 3S -0.55401 -0.49292 0.17539 -0.33618 0.20123 82 3PX 0.18759 0.05786 -0.04250 -0.37730 0.54368 83 3PY -1.05764 -0.60231 1.04538 -0.20430 -0.70791 84 3PZ 0.14457 -0.00559 -0.22281 -0.03403 0.79369 85 4XX 0.01220 -0.04249 0.15666 -0.07496 0.03838 86 4YY -0.04840 0.00190 -0.12437 -0.02922 0.07027 87 4ZZ 0.06297 0.01576 -0.01761 0.11408 -0.12252 88 4XY -0.02256 -0.01713 -0.03795 0.07318 0.00089 89 4XZ -0.01778 0.10705 0.07522 0.35491 0.04653 90 4YZ 0.02459 -0.01235 -0.01358 -0.03258 -0.05575 91 7 H 1S -0.18900 -0.00560 0.33588 0.09067 -0.22965 92 2S -0.10465 0.01206 0.25068 0.18592 -0.11751 93 8 H 1S -0.18900 0.00550 0.33586 -0.09068 -0.22955 94 2S -0.10465 -0.01213 0.25066 -0.18593 -0.11737 95 9 H 1S 0.03394 0.03068 0.05473 -0.01696 0.05142 96 2S -0.08933 -0.01961 0.08993 -0.08724 0.02988 97 10 H 1S 0.03394 -0.03069 0.05473 0.01696 0.05137 98 2S -0.08934 0.01957 0.08996 0.08724 0.02969 99 11 O 1S -0.01777 0.00827 0.00957 0.00660 -0.00254 100 2S -0.29899 0.20440 0.32679 0.03756 -0.19920 101 2PX -0.00169 -0.01909 -0.02080 0.03385 0.04771 102 2PY 0.01373 0.01644 0.10044 -0.01825 -0.05238 103 2PZ -0.00744 0.01473 0.01873 -0.01685 0.02308 104 3S 1.29103 -0.77520 -1.09114 -0.28590 0.60798 105 3PX -0.10052 0.07151 0.08031 -0.10260 -0.19808 106 3PY 0.32485 -0.20069 -0.28754 -0.06441 0.13865 107 3PZ 0.04185 -0.05610 -0.01929 0.02579 -0.14603 108 4XX -0.03083 -0.00583 -0.05505 -0.00160 0.04084 109 4YY -0.10981 0.06797 0.08760 -0.02138 -0.08428 110 4ZZ 0.00119 0.02077 0.11637 0.05874 -0.01683 111 4XY -0.02445 -0.03845 0.00487 -0.12429 -0.17855 112 4XZ -0.05520 0.14852 0.06155 0.24796 -0.04872 113 4YZ 0.01287 -0.02900 0.04556 0.08808 -0.14644 114 12 O 1S -0.01777 -0.00827 0.00957 -0.00660 -0.00255 115 2S -0.29896 -0.20453 0.32677 -0.03756 -0.19939 116 2PX -0.00169 0.01909 -0.02080 -0.03385 0.04771 117 2PY -0.01373 0.01646 -0.10044 -0.01824 0.05236 118 2PZ -0.00744 -0.01474 0.01873 0.01685 0.02309 119 3S 1.29091 0.77569 -1.09106 0.28589 0.60891 120 3PX -0.10049 -0.07154 0.08030 0.10261 -0.19812 121 3PY -0.32482 -0.20082 0.28752 -0.06440 -0.13880 122 3PZ 0.04184 0.05611 -0.01929 -0.02579 -0.14603 123 4XX -0.03083 0.00583 -0.05505 0.00161 0.04089 124 4YY -0.10979 -0.06801 0.08759 0.02138 -0.08437 125 4ZZ 0.00119 -0.02079 0.11637 -0.05875 -0.01686 126 4XY 0.02445 -0.03845 -0.00489 -0.12429 0.17861 127 4XZ -0.05517 -0.14855 0.06152 -0.24796 -0.04877 128 4YZ -0.01286 -0.02900 -0.04556 0.08808 0.14646 129 13 C 1S -0.03556 0.00000 -0.03427 0.00000 0.03501 130 2S -0.15435 0.00004 -0.57361 0.00002 -0.25938 131 2PX 0.10174 0.00002 -0.04593 0.00000 -0.23843 132 2PY 0.00001 -0.07982 -0.00001 0.01444 -0.00004 133 2PZ 0.04460 0.00001 -0.06564 0.00000 -0.14645 134 3S 1.14022 -0.00007 1.97150 -0.00007 -2.04730 135 3PX -0.49790 -0.00013 0.82974 -0.00001 0.18676 136 3PY 0.00002 -0.19997 -0.00001 0.04222 -0.00007 137 3PZ 1.32225 0.00006 0.79974 -0.00005 -0.84325 138 4XX 0.20153 0.00000 0.14187 -0.00001 -0.10822 139 4YY 0.24854 0.00004 -0.14134 0.00000 0.27183 140 4ZZ -0.49900 -0.00006 0.03237 0.00001 -0.09775 141 4XY -0.00005 0.49366 0.00005 -0.10624 0.00001 142 4XZ 0.11909 -0.00003 0.43512 -0.00001 0.22056 143 4YZ 0.00004 -0.35504 -0.00003 0.21788 -0.00004 144 14 H 1S 0.55043 0.00007 -0.07598 -0.00001 0.06860 145 2S 0.24377 0.00001 0.13304 -0.00001 -0.11432 146 15 H 1S -0.40331 -0.00004 -0.00943 0.00001 0.38218 147 2S -0.32750 -0.00004 0.01520 0.00001 0.25854 148 16 C 1S 0.01275 0.03010 0.01582 -0.01130 -0.02380 149 2S 0.00778 0.50945 0.29975 0.01848 -1.01631 150 2PX -0.00140 0.01446 0.09876 0.00419 -0.06630 151 2PY -0.07030 0.18666 -0.01202 0.02784 -0.23626 152 2PZ 0.09332 -0.05275 0.07460 0.02587 -0.04182 153 3S -0.44613 -1.81482 -1.06748 0.27087 2.43723 154 3PX 0.39672 0.02379 -0.13031 0.04785 0.08798 155 3PY -0.25124 -1.03191 -0.73313 0.17049 1.58715 156 3PZ -0.11820 -0.61265 -0.07366 0.13402 0.51564 157 4XX -0.14978 0.05700 0.09107 0.15744 0.19793 158 4YY 0.04104 -0.22587 0.08891 -0.02635 -0.03069 159 4ZZ 0.09242 0.14536 -0.22828 -0.12785 -0.00769 160 4XY 0.28035 0.21342 -0.13850 -0.02295 -0.26483 161 4XZ 0.04309 -0.08310 0.04505 0.04865 0.13183 162 4YZ -0.09834 -0.35417 0.10912 0.05503 0.03027 163 17 H 1S -0.07256 0.16306 -0.11874 0.02093 0.14445 164 2S -0.02709 -0.34024 -0.15096 0.05426 0.40166 165 18 C 1S 0.01305 -0.01382 0.01447 0.00303 0.02591 166 2S 0.34225 -0.05634 0.51352 -0.08260 0.13018 167 2PX -0.01618 0.01697 -0.03229 -0.05161 -0.00898 168 2PY 0.25036 0.15729 0.10287 -0.02664 0.12013 169 2PZ 0.01152 -0.07365 -0.22079 0.00211 0.02747 170 3S -0.02930 1.91393 -0.05970 -0.15595 -1.25383 171 3PX 0.04787 -0.38264 0.03503 0.11495 0.14066 172 3PY -0.44796 0.59757 -0.17229 -0.10612 -0.23588 173 3PZ 0.22015 -0.97885 0.16954 0.23469 0.66144 174 4XX 0.24772 0.11676 0.23380 0.14503 0.20025 175 4YY -0.39111 0.09896 -0.18311 -0.02712 -0.08775 176 4ZZ 0.20500 -0.16643 -0.05036 -0.08558 -0.02764 177 4XY -0.03481 0.20997 0.06809 -0.21701 0.11182 178 4XZ 0.08870 -0.01362 -0.14160 -0.02290 -0.01372 179 4YZ -0.17929 0.16906 0.03868 0.00960 0.25521 180 19 H 1S -0.20703 0.27334 0.10255 -0.03490 0.18605 181 2S -0.11546 0.20742 -0.13963 -0.11675 -0.21545 182 20 C 1S 0.01276 -0.03010 0.01582 0.01129 -0.02382 183 2S 0.00788 -0.50950 0.29966 -0.01849 -1.01657 184 2PX -0.00140 -0.01448 0.09876 -0.00419 -0.06630 185 2PY 0.07027 0.18668 0.01206 0.02784 0.23625 186 2PZ 0.09331 0.05275 0.07460 -0.02588 -0.04171 187 3S -0.44651 1.81493 -1.06721 -0.27080 2.43881 188 3PX 0.39673 -0.02367 -0.13033 -0.04786 0.08819 189 3PY 0.25145 -1.03199 0.73296 0.17045 -1.58782 190 3PZ -0.11833 0.61263 -0.07357 -0.13401 0.51586 191 4XX -0.14977 -0.05705 0.09105 -0.15744 0.19808 192 4YY 0.04098 0.22586 0.08896 0.02635 -0.03071 193 4ZZ 0.09246 -0.14529 -0.22830 0.12786 -0.00778 194 4XY -0.28040 0.21333 0.13854 -0.02295 0.26483 195 4XZ 0.04307 0.08310 0.04507 -0.04865 0.13164 196 4YZ 0.09842 -0.35413 -0.10918 0.05503 -0.03021 197 21 H 1S -0.07252 -0.16306 -0.11878 -0.02092 0.14448 198 2S -0.02716 0.34026 -0.15090 -0.05425 0.40177 199 22 C 1S 0.01305 0.01382 0.01447 -0.00303 0.02593 200 2S 0.34223 0.05631 0.51353 0.08256 0.13054 201 2PX -0.01617 -0.01697 -0.03229 0.05161 -0.00901 202 2PY -0.25040 0.15725 -0.10284 -0.02662 -0.12013 203 2PZ 0.01151 0.07370 -0.22077 -0.00210 0.02737 204 3S -0.02889 -1.91392 -0.05999 0.15596 -1.25585 205 3PX 0.04778 0.38265 0.03508 -0.11496 0.14096 206 3PY 0.44783 0.59764 0.17238 -0.10616 0.23654 207 3PZ 0.21993 0.97886 0.16968 -0.23471 0.66247 208 4XX 0.24774 -0.11676 0.23377 -0.14506 0.20031 209 4YY -0.39109 -0.09901 -0.18313 0.02715 -0.08772 210 4ZZ 0.20497 0.16649 -0.05032 0.08557 -0.02773 211 4XY 0.03476 0.20999 -0.06806 -0.21701 -0.11183 212 4XZ 0.08870 0.01366 -0.14159 0.02291 -0.01386 213 4YZ 0.17926 0.16911 -0.03865 0.00960 -0.25515 214 23 H 1S -0.20697 -0.27341 0.10250 0.03491 0.18602 215 2S -0.11541 -0.20742 -0.13966 0.11677 -0.21574 171 172 173 174 175 V V V V V Eigenvalues -- 2.20450 2.21757 2.24203 2.27768 2.28224 1 1 C 1S -0.03930 -0.00060 0.01278 -0.00017 -0.04025 2 2S -0.67782 -0.00766 0.17969 0.18821 -0.73520 3 2PX 0.13034 -0.05989 -0.06068 0.03274 -0.01137 4 2PY -0.01284 -0.00936 -0.07915 -0.06176 -0.09619 5 2PZ -0.01617 -0.02943 0.01303 0.01630 -0.12217 6 3S 4.17655 0.58800 -0.50183 0.06829 3.50971 7 3PX -0.00299 1.10354 -0.17974 0.01209 0.55720 8 3PY -1.68187 -0.03410 0.07164 0.24101 -1.22452 9 3PZ 1.20346 0.62154 -0.20028 -0.20076 1.25933 10 4XX 0.24766 0.36390 -0.17455 0.19803 0.12717 11 4YY 0.01056 0.00150 -0.02712 -0.10415 0.07722 12 4ZZ -0.14181 -0.37630 0.19535 -0.11747 -0.08591 13 4XY -0.02541 -0.19638 -0.13139 0.12389 -0.21371 14 4XZ -0.26490 0.06954 -0.09101 -0.03104 -0.03357 15 4YZ -0.03697 0.08883 -0.01360 -0.14392 0.28373 16 2 C 1S 0.03931 0.00060 0.01278 -0.00016 0.04024 17 2S 0.67809 0.00771 0.17966 0.18829 0.73519 18 2PX -0.13032 0.05990 -0.06068 0.03274 0.01136 19 2PY -0.01276 -0.00935 0.07915 0.06176 -0.09620 20 2PZ 0.01619 0.02944 0.01303 0.01632 0.12217 21 3S -4.17648 -0.58794 -0.50174 0.06796 -3.50966 22 3PX 0.00315 -1.10349 -0.17976 0.01200 -0.55717 23 3PY -1.68234 -0.03422 -0.07161 -0.24103 -1.22456 24 3PZ -1.20370 -0.62158 -0.20026 -0.20089 -1.25931 25 4XX -0.24773 -0.36391 -0.17457 0.19803 -0.12720 26 4YY -0.01061 -0.00151 -0.02711 -0.10415 -0.07721 27 4ZZ 0.14189 0.37631 0.19537 -0.11748 0.08594 28 4XY -0.02545 -0.19640 0.13139 -0.12392 -0.21371 29 4XZ 0.26506 -0.06950 -0.09101 -0.03105 0.03358 30 4YZ -0.03693 0.08884 0.01359 0.14395 0.28371 31 3 C 1S -0.01490 -0.00892 0.00221 0.00224 -0.00924 32 2S -0.51371 0.01777 0.01630 0.03616 0.06303 33 2PX 0.04710 0.00707 -0.08966 -0.03363 -0.07106 34 2PY -0.14591 0.00893 -0.02463 -0.02195 0.04736 35 2PZ -0.02803 -0.05343 -0.10313 0.00058 0.01659 36 3S 1.72452 0.42524 -0.27876 -0.19463 1.08149 37 3PX -0.14115 -0.51828 -0.38218 0.21033 -0.17017 38 3PY 2.45124 0.23325 0.42917 0.42712 1.28084 39 3PZ 0.55191 -0.62856 -0.32390 0.28775 -0.07779 40 4XX 0.12904 -0.30974 -0.27459 0.39431 0.05737 41 4YY -0.06966 0.14737 -0.01511 -0.02516 0.04303 42 4ZZ 0.05526 0.14039 0.30076 -0.36654 -0.10226 43 4XY -0.01826 -0.07995 -0.08735 0.07107 -0.00172 44 4XZ 0.07026 -0.08417 -0.04094 -0.00229 -0.16426 45 4YZ 0.00205 -0.01204 -0.06680 0.03052 -0.00090 46 4 C 1S 0.01422 -0.01130 -0.01153 -0.00086 0.00468 47 2S 0.17428 -0.07749 -0.08542 -0.07190 0.23018 48 2PX 0.04970 0.02235 0.01968 -0.00798 -0.07891 49 2PY 0.12634 -0.12863 -0.03240 -0.01930 -0.07528 50 2PZ 0.04868 -0.06274 -0.05361 0.04554 -0.01908 51 3S -2.68836 0.37468 0.44466 -0.19152 -1.72330 52 3PX 0.91146 0.05992 -0.06876 0.01359 0.52570 53 3PY -0.89153 -0.27233 -0.22794 0.05814 -0.85347 54 3PZ 0.87824 -0.25810 -0.11868 0.10101 0.71333 55 4XX -0.03027 -0.14007 -0.13987 0.11048 0.06615 56 4YY 0.09530 -0.08812 0.02229 0.08221 -0.08066 57 4ZZ -0.08279 0.20221 0.11813 -0.20323 -0.06466 58 4XY 0.12396 0.23755 -0.00305 0.09175 -0.24439 59 4XZ 0.00267 0.10843 0.06061 0.02827 0.04480 60 4YZ 0.00431 -0.37920 0.15710 -0.07240 0.10698 61 5 C 1S -0.01421 0.01131 -0.01152 -0.00086 -0.00468 62 2S -0.17432 0.07749 -0.08541 -0.07190 -0.23016 63 2PX -0.04966 -0.02234 0.01967 -0.00798 0.07892 64 2PY 0.12633 -0.12864 0.03240 0.01927 -0.07529 65 2PZ -0.04865 0.06275 -0.05361 0.04554 0.01908 66 3S 2.68784 -0.37482 0.44459 -0.19141 1.72324 67 3PX -0.91138 -0.05990 -0.06875 0.01357 -0.52567 68 3PY -0.89173 -0.27239 0.22796 -0.05828 -0.85349 69 3PZ -0.87810 0.25814 -0.11865 0.10097 -0.71332 70 4XX 0.03031 0.14008 -0.13986 0.11047 -0.06615 71 4YY -0.09526 0.08812 0.02229 0.08224 0.08065 72 4ZZ 0.08273 -0.20223 0.11812 -0.20323 0.06468 73 4XY 0.12398 0.23756 0.00307 -0.09179 -0.24437 74 4XZ -0.00271 -0.10844 0.06061 0.02825 -0.04482 75 4YZ 0.00434 -0.37919 -0.15712 0.07241 0.10698 76 6 C 1S 0.01490 0.00892 0.00221 0.00224 0.00924 77 2S 0.51364 -0.01778 0.01631 0.03616 -0.06304 78 2PX -0.04706 -0.00706 -0.08966 -0.03362 0.07107 79 2PY -0.14587 0.00894 0.02463 0.02195 0.04736 80 2PZ 0.02803 0.05343 -0.10313 0.00058 -0.01659 81 3S -1.72442 -0.42522 -0.27874 -0.19474 -1.08147 82 3PX 0.14149 0.51838 -0.38216 0.21043 0.17019 83 3PY 2.45082 0.23319 -0.42920 -0.42701 1.28085 84 3PZ -0.55139 0.62870 -0.32389 0.28783 0.07783 85 4XX -0.12902 0.30976 -0.27458 0.39430 -0.05742 86 4YY 0.06971 -0.14736 -0.01511 -0.02516 -0.04303 87 4ZZ -0.05533 -0.14041 0.30075 -0.36653 0.10230 88 4XY -0.01826 -0.07995 0.08734 -0.07105 -0.00171 89 4XZ -0.07024 0.08418 -0.04095 -0.00227 0.16426 90 4YZ 0.00201 -0.01206 0.06679 -0.03051 -0.00090 91 7 H 1S 0.11172 0.26567 -0.08095 -0.04870 0.15770 92 2S 0.17834 0.25941 -0.03974 -0.10261 0.29084 93 8 H 1S -0.11187 -0.26570 -0.08095 -0.04870 -0.15771 94 2S -0.17841 -0.25941 -0.03974 -0.10263 -0.29084 95 9 H 1S -0.03729 -0.14758 -0.00218 0.00401 -0.14199 96 2S -0.31977 0.01086 -0.02039 -0.01078 -0.26879 97 10 H 1S 0.03733 0.14759 -0.00218 0.00403 0.14200 98 2S 0.31979 -0.01085 -0.02040 -0.01075 0.26879 99 11 O 1S -0.01492 -0.00026 -0.00545 -0.00482 -0.00874 100 2S -0.28917 -0.10024 -0.11888 -0.10682 -0.18940 101 2PX 0.00311 -0.01564 -0.02578 0.00144 0.01073 102 2PY 0.05661 -0.09399 -0.00303 0.00735 -0.02751 103 2PZ 0.02188 -0.06268 -0.02207 0.02300 -0.01896 104 3S 1.48880 0.15058 0.51483 0.47565 0.79174 105 3PX -0.09388 0.10579 0.08173 -0.06502 -0.04319 106 3PY 0.23077 0.05838 0.13344 0.11882 0.15793 107 3PZ -0.05325 0.21431 0.12101 -0.07655 0.07893 108 4XX 0.08161 0.03936 0.12365 -0.17818 -0.02416 109 4YY -0.14842 -0.01644 -0.03791 -0.03785 -0.05709 110 4ZZ -0.02086 -0.08719 -0.12798 0.18639 -0.00704 111 4XY -0.10497 0.07214 0.11088 -0.05887 -0.03162 112 4XZ -0.07689 -0.01229 -0.02310 0.00268 0.04440 113 4YZ -0.08766 0.21813 0.13244 -0.10667 0.02970 114 12 O 1S 0.01491 0.00026 -0.00545 -0.00482 0.00874 115 2S 0.28905 0.10022 -0.11888 -0.10681 0.18940 116 2PX -0.00308 0.01565 -0.02578 0.00144 -0.01073 117 2PY 0.05664 -0.09398 0.00303 -0.00736 -0.02751 118 2PZ -0.02187 0.06269 -0.02207 0.02300 0.01896 119 3S -1.48842 -0.15052 0.51484 0.47558 -0.79176 120 3PX 0.09375 -0.10583 0.08173 -0.06503 0.04318 121 3PY 0.23069 0.05837 -0.13345 -0.11880 0.15793 122 3PZ 0.05315 -0.21434 0.12100 -0.07657 -0.07893 123 4XX -0.08159 -0.03936 0.12365 -0.17817 0.02419 124 4YY 0.14837 0.01643 -0.03791 -0.03785 0.05709 125 4ZZ 0.02085 0.08720 -0.12798 0.18639 0.00702 126 4XY -0.10486 0.07217 -0.11088 0.05888 -0.03162 127 4XZ 0.07687 0.01228 -0.02309 0.00267 -0.04441 128 4YZ -0.08757 0.21816 -0.13243 0.10668 0.02969 129 13 C 1S 0.00001 0.00000 -0.02352 -0.03308 0.00000 130 2S -0.00008 -0.00001 -0.19831 0.24532 -0.00002 131 2PX -0.00007 -0.00001 -0.02155 0.13339 -0.00001 132 2PY 0.14269 -0.04387 0.00000 0.00000 0.08627 133 2PZ -0.00004 -0.00001 0.06827 0.11357 -0.00001 134 3S -0.00058 -0.00014 1.13091 0.86812 -0.00003 135 3PX 0.00005 0.00000 0.51084 0.09370 0.00000 136 3PY 0.23773 -0.02331 0.00000 0.00001 0.20883 137 3PZ -0.00024 -0.00006 0.12962 0.20027 -0.00002 138 4XX -0.00003 -0.00001 0.22110 -0.03002 0.00000 139 4YY 0.00008 0.00002 -0.10386 -0.12619 0.00001 140 4ZZ -0.00003 0.00000 -0.08482 0.04340 -0.00001 141 4XY -0.06460 0.07585 0.00000 0.00000 0.18737 142 4XZ 0.00006 0.00001 0.11972 0.00025 0.00000 143 4YZ 0.13119 -0.03825 0.00000 0.00000 -0.06527 144 14 H 1S 0.00002 0.00000 -0.03313 -0.08446 0.00000 145 2S -0.00003 -0.00001 -0.14298 0.02542 -0.00001 146 15 H 1S 0.00011 0.00002 -0.09250 -0.05408 0.00000 147 2S 0.00007 0.00001 0.18201 0.01348 0.00000 148 16 C 1S -0.03533 0.01232 0.01523 0.00804 -0.05407 149 2S -0.43462 0.16666 0.06314 0.15155 -0.74699 150 2PX 0.01920 0.00150 -0.00668 -0.01337 -0.09788 151 2PY 0.02042 0.02216 -0.03376 0.04520 -0.11255 152 2PZ 0.18823 -0.02481 -0.04142 -0.04441 -0.06141 153 3S 2.66413 -0.49405 -0.76826 -0.68905 1.70374 154 3PX 0.38332 -0.11314 0.17329 0.30252 0.30874 155 3PY 1.13186 -0.10664 -0.39484 -0.62325 0.91613 156 3PZ 0.31821 0.09508 -0.02171 -0.09774 0.36216 157 4XX 0.28665 0.01026 0.32752 0.21748 -0.28809 158 4YY -0.05010 -0.02535 0.00663 -0.06314 0.08444 159 4ZZ -0.14220 0.00154 -0.32070 -0.17991 0.23467 160 4XY -0.01958 0.05257 0.15552 0.33230 -0.00924 161 4XZ -0.29926 0.04915 0.25662 0.14878 -0.17386 162 4YZ -0.11069 0.00350 0.14294 0.06894 0.03883 163 17 H 1S 0.07101 0.05092 -0.06986 -0.09712 -0.04283 164 2S 0.18213 -0.01924 -0.02813 -0.13322 0.25197 165 18 C 1S 0.03129 -0.00342 -0.00994 -0.01427 -0.01149 166 2S 0.62679 -0.07379 -0.05214 -0.15731 -0.32948 167 2PX -0.03411 -0.03024 -0.06364 -0.03530 0.03281 168 2PY -0.00122 0.01822 -0.08130 -0.10434 0.02868 169 2PZ -0.16953 0.00729 -0.05249 0.01413 0.15363 170 3S -3.44742 0.32148 0.28234 0.35496 -0.04971 171 3PX 0.47694 0.06404 -0.13555 -0.19858 0.26377 172 3PY -1.13169 0.01772 0.08095 0.24831 0.39269 173 3PZ 1.73694 -0.05400 -0.16878 -0.32915 -0.03990 174 4XX 0.11116 0.02004 0.03159 -0.01814 -0.24344 175 4YY 0.03978 0.00521 0.08661 0.09713 0.03650 176 4ZZ -0.15749 -0.01972 -0.14576 -0.11123 0.23060 177 4XY 0.02342 -0.06484 0.15058 0.09116 0.16412 178 4XZ -0.21356 0.02527 0.26662 0.25739 -0.27207 179 4YZ -0.09376 0.06658 0.09211 0.00535 -0.05865 180 19 H 1S -0.03828 -0.01624 0.05108 0.02232 0.02064 181 2S -0.48605 -0.02517 0.03783 0.14668 0.08642 182 20 C 1S 0.03531 -0.01233 0.01522 0.00804 0.05407 183 2S 0.43402 -0.16678 0.06311 0.15160 0.74696 184 2PX -0.01924 -0.00151 -0.00669 -0.01336 0.09788 185 2PY 0.02057 0.02219 0.03376 -0.04521 -0.11254 186 2PZ -0.18826 0.02480 -0.04142 -0.04441 0.06141 187 3S -2.66272 0.49437 -0.76821 -0.68919 -1.70368 188 3PX -0.38327 0.11315 0.17330 0.30250 -0.30876 189 3PY 1.13092 -0.10684 0.39483 0.62331 0.91604 190 3PZ -0.31790 -0.09502 -0.02171 -0.09777 -0.36213 191 4XX -0.28653 -0.01025 0.32751 0.21749 0.28809 192 4YY 0.05009 0.02535 0.00664 -0.06314 -0.08443 193 4ZZ 0.14219 -0.00153 -0.32070 -0.17992 -0.23467 194 4XY -0.01943 0.05260 -0.15551 -0.33230 -0.00921 195 4XZ 0.29934 -0.04914 0.25661 0.14880 0.17386 196 4YZ -0.11070 0.00350 -0.14294 -0.06893 0.03884 197 21 H 1S -0.07092 -0.05090 -0.06987 -0.09712 0.04285 198 2S -0.18189 0.01929 -0.02813 -0.13323 -0.25195 199 22 C 1S -0.03127 0.00343 -0.00994 -0.01427 0.01149 200 2S -0.62673 0.07380 -0.05215 -0.15730 0.32949 201 2PX 0.03410 0.03024 -0.06364 -0.03531 -0.03281 202 2PY -0.00129 0.01821 0.08130 0.10434 0.02868 203 2PZ 0.16955 -0.00728 -0.05248 0.01412 -0.15363 204 3S 3.44670 -0.32164 0.28239 0.35501 0.04967 205 3PX -0.47687 -0.06401 -0.13556 -0.19861 -0.26376 206 3PY -1.13157 0.01774 -0.08099 -0.24830 0.39271 207 3PZ -1.73656 0.05408 -0.16881 -0.32916 0.03994 208 4XX -0.11104 -0.02002 0.03159 -0.01812 0.24345 209 4YY -0.03983 -0.00522 0.08661 0.09712 -0.03651 210 4ZZ 0.15747 0.01972 -0.14575 -0.11125 -0.23060 211 4XY 0.02335 -0.06485 -0.15057 -0.09113 0.16412 212 4XZ 0.21356 -0.02528 0.26661 0.25741 0.27206 213 4YZ -0.09391 0.06656 -0.09211 -0.00536 -0.05866 214 23 H 1S 0.03839 0.01625 0.05108 0.02232 -0.02064 215 2S 0.48593 0.02514 0.03784 0.14668 -0.08643 176 177 178 179 180 V V V V V Eigenvalues -- 2.30753 2.32014 2.34410 2.36827 2.40391 1 1 C 1S 0.00403 -0.04894 -0.03484 -0.01436 0.03090 2 2S 0.41087 -0.49237 -0.24104 0.09670 0.51353 3 2PX -0.01519 0.04815 0.05843 -0.00605 -0.02641 4 2PY -0.17071 0.18662 -0.03422 -0.00440 -0.08508 5 2PZ 0.06447 0.02152 0.01332 0.03305 -0.00032 6 3S -1.31383 2.27331 2.01617 0.11757 -1.70921 7 3PX -0.74230 0.58558 0.07831 0.01142 0.42637 8 3PY -1.03661 0.58795 -0.48516 0.01914 -0.34246 9 3PZ -0.61072 0.70840 0.51831 0.03580 -0.23602 10 4XX 0.01205 -0.06088 -0.03066 0.07173 -0.00284 11 4YY 0.25639 0.14285 0.03357 -0.08352 0.14863 12 4ZZ -0.30806 -0.08934 -0.01390 -0.06515 -0.18270 13 4XY 0.20317 0.24842 -0.19806 0.01105 -0.22333 14 4XZ -0.19829 0.17395 -0.02814 -0.00626 -0.00811 15 4YZ -0.10074 0.25596 0.20065 -0.00144 0.28398 16 2 C 1S -0.00404 -0.04894 0.03484 -0.01435 -0.03090 17 2S -0.41087 -0.49240 0.24104 0.09671 -0.51352 18 2PX 0.01520 0.04815 -0.05843 -0.00605 0.02641 19 2PY -0.17071 -0.18662 -0.03422 0.00440 -0.08508 20 2PZ -0.06447 0.02152 -0.01332 0.03306 0.00032 21 3S 1.31386 2.27350 -2.01614 0.11751 1.70917 22 3PX 0.74233 0.58561 -0.07830 0.01141 -0.42637 23 3PY -1.03662 -0.58783 -0.48518 -0.01918 -0.34245 24 3PZ 0.61072 0.70847 -0.51830 0.03577 0.23601 25 4XX -0.01203 -0.06086 0.03066 0.07172 0.00284 26 4YY -0.25640 0.14285 -0.03357 -0.08352 -0.14863 27 4ZZ 0.30805 -0.08935 0.01390 -0.06515 0.18271 28 4XY 0.20315 -0.24842 -0.19806 -0.01105 -0.22333 29 4XZ 0.19829 0.17394 0.02814 -0.00625 0.00810 30 4YZ -0.10073 -0.25597 0.20065 0.00145 0.28398 31 3 C 1S 0.00056 -0.00273 -0.01127 0.00893 -0.00671 32 2S 0.18369 0.02953 -0.31640 0.09144 -0.10055 33 2PX 0.05424 0.16855 -0.00218 -0.02570 0.02225 34 2PY 0.05742 -0.00145 -0.07651 -0.01767 0.05119 35 2PZ 0.02570 0.17218 -0.02436 0.01351 0.01343 36 3S -0.45508 -0.20428 0.99150 -0.28355 0.44414 37 3PX 1.52314 1.75571 -0.25481 -0.01038 0.82916 38 3PY -0.23255 0.04090 0.95865 -0.14690 0.15146 39 3PZ 1.29249 1.68002 0.09917 -0.05722 0.75160 40 4XX -0.12943 -0.17492 0.10616 0.07739 -0.13710 41 4YY -0.02501 0.02123 0.01794 -0.00414 0.01085 42 4ZZ 0.08753 0.12987 -0.04425 -0.07938 0.13683 43 4XY -0.10389 0.11680 -0.06293 0.04939 -0.14141 44 4XZ 0.02286 0.02065 0.06052 -0.07191 -0.07152 45 4YZ -0.08065 0.16524 0.05173 -0.04909 0.03159 46 4 C 1S 0.00949 0.05373 0.00551 -0.00881 0.00621 47 2S 0.36352 0.38669 -0.04773 0.03624 0.24936 48 2PX -0.02974 0.03473 0.02415 -0.04173 -0.06542 49 2PY 0.23749 0.20902 0.02573 -0.02442 0.08552 50 2PZ -0.05132 0.05378 0.04830 -0.00704 -0.00522 51 3S -0.76293 -2.02989 -0.80711 0.15686 -0.82301 52 3PX 0.44086 0.50188 0.20614 -0.03560 0.40315 53 3PY 1.00873 0.54189 -0.32766 -0.02814 0.51599 54 3PZ 0.58384 0.61580 0.32276 -0.06985 0.65856 55 4XX -0.10335 0.14382 -0.00235 0.00078 -0.17845 56 4YY 0.26894 -0.19046 0.02034 -0.00433 0.12187 57 4ZZ -0.14213 0.12744 0.00492 -0.03525 0.04338 58 4XY 0.17392 -0.17660 -0.15606 0.03241 -0.34113 59 4XZ -0.26472 -0.33941 0.02604 0.05831 -0.11814 60 4YZ -0.00924 -0.19872 0.14987 0.00145 0.27603 61 5 C 1S -0.00949 0.05373 -0.00551 -0.00881 -0.00621 62 2S -0.36352 0.38670 0.04773 0.03623 -0.24936 63 2PX 0.02974 0.03473 -0.02415 -0.04173 0.06542 64 2PY 0.23749 -0.20902 0.02573 0.02442 0.08552 65 2PZ 0.05133 0.05378 -0.04830 -0.00704 0.00522 66 3S 0.76288 -2.03002 0.80708 0.15690 0.82302 67 3PX -0.44087 0.50193 -0.20613 -0.03562 -0.40315 68 3PY 1.00870 -0.54185 -0.32767 0.02813 0.51599 69 3PZ -0.58383 0.61585 -0.32275 -0.06987 -0.65856 70 4XX 0.10336 0.14381 0.00235 0.00078 0.17846 71 4YY -0.26893 -0.19045 -0.02034 -0.00433 -0.12188 72 4ZZ 0.14212 0.12743 -0.00492 -0.03525 -0.04337 73 4XY 0.17392 0.17660 -0.15606 -0.03241 -0.34112 74 4XZ 0.26472 -0.33941 -0.02605 0.05832 0.11813 75 4YZ -0.00923 0.19872 0.14987 -0.00145 0.27604 76 6 C 1S -0.00056 -0.00273 0.01127 0.00893 0.00671 77 2S -0.18369 0.02952 0.31640 0.09144 0.10055 78 2PX -0.05423 0.16855 0.00218 -0.02570 -0.02225 79 2PY 0.05742 0.00145 -0.07651 0.01767 0.05119 80 2PZ -0.02570 0.17218 0.02437 0.01351 -0.01344 81 3S 0.45509 -0.20422 -0.99151 -0.28357 -0.44412 82 3PX -1.52310 1.75573 0.25483 -0.01039 -0.82918 83 3PY -0.23259 -0.04098 0.95864 0.14692 0.15144 84 3PZ -1.29245 1.68005 -0.09914 -0.05723 -0.75162 85 4XX 0.12946 -0.17491 -0.10616 0.07739 0.13710 86 4YY 0.02501 0.02123 -0.01794 -0.00414 -0.01085 87 4ZZ -0.08755 0.12987 0.04426 -0.07938 -0.13683 88 4XY -0.10389 -0.11680 -0.06293 -0.04939 -0.14140 89 4XZ -0.02286 0.02065 -0.06053 -0.07190 0.07153 90 4YZ -0.08066 -0.16524 0.05173 0.04909 0.03159 91 7 H 1S 0.19825 0.06137 0.00349 -0.00281 0.31891 92 2S -0.01321 0.01989 0.05087 0.03370 0.14509 93 8 H 1S -0.19825 0.06139 -0.00349 -0.00281 -0.31891 94 2S 0.01320 0.01991 -0.05087 0.03369 -0.14509 95 9 H 1S 0.22907 0.05791 -0.04154 -0.01300 0.04057 96 2S -0.03394 -0.06317 -0.09616 0.01235 -0.07901 97 10 H 1S -0.22907 0.05790 0.04154 -0.01299 -0.04058 98 2S 0.03394 -0.06319 0.09615 0.01236 0.07901 99 11 O 1S 0.00118 -0.00056 -0.00563 0.00344 -0.00594 100 2S 0.01008 -0.03516 -0.09962 0.00905 -0.01084 101 2PX 0.05549 0.07441 -0.01485 0.00908 0.01943 102 2PY -0.00265 -0.01717 -0.00405 0.00571 -0.00994 103 2PZ 0.02368 0.07545 0.01097 -0.00579 0.01764 104 3S -0.08707 0.07278 0.48403 -0.06058 0.04711 105 3PX -0.35965 -0.41772 0.02211 0.00398 -0.19994 106 3PY -0.01296 0.01830 0.06592 -0.01160 0.00680 107 3PZ -0.24657 -0.39620 -0.01135 0.00219 -0.13007 108 4XX 0.12895 0.09109 -0.01617 -0.01255 0.03713 109 4YY -0.02995 -0.02883 -0.04612 -0.00067 0.00605 110 4ZZ -0.09210 -0.07783 0.01696 0.04270 -0.09649 111 4XY -0.35007 -0.26331 -0.02993 0.03924 -0.20453 112 4XZ -0.02055 0.00175 -0.02625 0.02517 0.00274 113 4YZ -0.21969 -0.23344 -0.00897 -0.04300 -0.03546 114 12 O 1S -0.00118 -0.00056 0.00563 0.00344 0.00594 115 2S -0.01008 -0.03518 0.09962 0.00906 0.01085 116 2PX -0.05549 0.07441 0.01486 0.00908 -0.01943 117 2PY -0.00265 0.01717 -0.00405 -0.00571 -0.00994 118 2PZ -0.02368 0.07545 -0.01097 -0.00579 -0.01764 119 3S 0.08708 0.07284 -0.48402 -0.06059 -0.04712 120 3PX 0.35964 -0.41773 -0.02211 0.00398 0.19995 121 3PY -0.01296 -0.01831 0.06591 0.01160 0.00680 122 3PZ 0.24655 -0.39620 0.01134 0.00219 0.13007 123 4XX -0.12895 0.09108 0.01618 -0.01255 -0.03712 124 4YY 0.02994 -0.02883 0.04611 -0.00067 -0.00606 125 4ZZ 0.09211 -0.07783 -0.01696 0.04270 0.09649 126 4XY -0.35007 0.26332 -0.02993 -0.03925 -0.20453 127 4XZ 0.02055 0.00174 0.02625 0.02517 -0.00274 128 4YZ -0.21967 0.23344 -0.00897 0.04300 -0.03547 129 13 C 1S 0.00000 -0.03829 0.00000 0.00708 0.00000 130 2S 0.00000 -0.17233 0.00000 0.07681 0.00000 131 2PX 0.00000 0.06348 0.00000 0.00174 0.00000 132 2PY 0.02727 0.00000 0.04453 0.00000 -0.10523 133 2PZ 0.00000 0.05725 0.00000 0.08059 0.00000 134 3S 0.00004 1.95235 0.00001 -0.04897 -0.00002 135 3PX 0.00001 0.49009 0.00001 0.01303 -0.00001 136 3PY -0.05972 0.00000 0.26414 0.00000 -0.36484 137 3PZ 0.00001 0.67158 0.00000 0.06039 -0.00001 138 4XX 0.00000 0.17576 0.00000 0.87395 0.00000 139 4YY 0.00000 -0.12536 0.00000 -0.12424 0.00000 140 4ZZ 0.00000 -0.07279 0.00000 -0.74740 0.00000 141 4XY 0.05729 -0.00001 0.26329 0.00000 -0.19851 142 4XZ 0.00000 0.02528 0.00000 -0.00005 -0.00001 143 4YZ -0.08231 0.00000 -0.07942 0.00000 0.07851 144 14 H 1S -0.00001 -0.03929 0.00000 0.48680 0.00000 145 2S 0.00000 0.15538 0.00000 -0.17519 0.00000 146 15 H 1S 0.00000 -0.19881 0.00000 -0.41004 0.00000 147 2S 0.00000 0.02033 0.00000 0.15246 0.00000 148 16 C 1S -0.01037 0.02139 -0.02428 0.00720 0.05014 149 2S -0.27476 0.36956 -0.34665 0.12650 0.62388 150 2PX -0.05892 0.00018 -0.03727 -0.01945 0.04691 151 2PY -0.09733 0.07458 -0.02848 0.01048 0.10151 152 2PZ -0.06990 0.01236 0.01586 -0.01157 -0.04099 153 3S 0.15781 -1.43877 1.24657 -0.60058 -1.76013 154 3PX 0.04854 0.07708 0.35505 -0.19588 -0.26682 155 3PY 0.29777 -1.01218 0.41358 -0.12045 -0.93991 156 3PZ 0.16232 -0.08294 -0.07072 -0.13784 0.03709 157 4XX -0.24800 0.07616 -0.02949 0.14764 0.27137 158 4YY 0.14022 0.02581 0.16971 -0.21560 -0.14186 159 4ZZ 0.11655 -0.16242 -0.08177 0.03134 -0.18881 160 4XY 0.05929 0.09694 0.23760 -0.31346 -0.06102 161 4XZ 0.05036 0.03278 0.02914 -0.04699 0.15122 162 4YZ 0.03354 0.05007 -0.14818 0.14086 0.02219 163 17 H 1S -0.05600 -0.09146 -0.13646 0.14916 0.09223 164 2S 0.14843 -0.23783 0.08491 -0.04596 -0.25904 165 18 C 1S -0.01184 -0.00715 -0.00696 -0.01305 -0.00220 166 2S -0.31592 0.00020 0.21870 -0.30850 0.12750 167 2PX -0.01496 -0.05697 -0.03083 0.02001 -0.01211 168 2PY 0.00436 -0.06429 0.00632 -0.08521 -0.01590 169 2PZ 0.11120 -0.08413 -0.02623 0.07608 -0.10775 170 3S 0.62348 0.49784 -0.71778 0.55234 0.62861 171 3PX 0.03892 -0.04080 -0.34293 -0.00738 -0.03669 172 3PY 0.29810 0.11943 -0.03494 0.06577 0.06416 173 3PZ -0.22455 -0.21388 0.54579 -0.37193 -0.24302 174 4XX -0.11295 -0.03212 -0.01336 -0.23609 0.07811 175 4YY 0.01236 0.04150 0.07449 0.12230 -0.03925 176 4ZZ 0.12749 -0.01756 -0.11934 0.12623 -0.06881 177 4XY -0.09201 0.01607 -0.60312 -0.01789 0.22689 178 4XZ 0.03340 0.10176 0.22445 -0.05084 0.15824 179 4YZ 0.05009 -0.05549 0.12996 -0.02823 -0.02301 180 19 H 1S -0.05355 -0.05023 -0.07423 -0.06999 0.00949 181 2S 0.08925 0.04328 -0.01770 0.11843 0.00432 182 20 C 1S 0.01037 0.02138 0.02428 0.00720 -0.05014 183 2S 0.27477 0.36953 0.34665 0.12652 -0.62388 184 2PX 0.05892 0.00018 0.03726 -0.01945 -0.04691 185 2PY -0.09734 -0.07458 -0.02848 -0.01048 0.10151 186 2PZ 0.06990 0.01236 -0.01586 -0.01157 0.04099 187 3S -0.15786 -1.43868 -1.24659 -0.60064 1.76018 188 3PX -0.04852 0.07709 -0.35505 -0.19589 0.26682 189 3PY 0.29781 1.01214 0.41359 0.12049 -0.93993 190 3PZ -0.16232 -0.08292 0.07073 -0.13786 -0.03709 191 4XX 0.24801 0.07616 0.02950 0.14764 -0.27138 192 4YY -0.14023 0.02581 -0.16971 -0.21560 0.14187 193 4ZZ -0.11657 -0.16242 0.08176 0.03134 0.18882 194 4XY 0.05927 -0.09693 0.23759 0.31346 -0.06101 195 4XZ -0.05035 0.03276 -0.02913 -0.04699 -0.15122 196 4YZ 0.03354 -0.05007 -0.14818 -0.14086 0.02220 197 21 H 1S 0.05600 -0.09146 0.13645 0.14915 -0.09223 198 2S -0.14844 -0.23783 -0.08490 -0.04597 0.25904 199 22 C 1S 0.01184 -0.00715 0.00696 -0.01305 0.00220 200 2S 0.31591 0.00019 -0.21870 -0.30851 -0.12750 201 2PX 0.01496 -0.05697 0.03083 0.02001 0.01211 202 2PY 0.00437 0.06429 0.00632 0.08522 -0.01590 203 2PZ -0.11121 -0.08413 0.02622 0.07607 0.10775 204 3S -0.62346 0.49780 0.71779 0.55239 -0.62862 205 3PX -0.03893 -0.04079 0.34293 -0.00738 0.03669 206 3PY 0.29808 -0.11943 -0.03494 -0.06579 0.06417 207 3PZ 0.22453 -0.21385 -0.54579 -0.37195 0.24303 208 4XX 0.11296 -0.03213 0.01336 -0.23609 -0.07811 209 4YY -0.01235 0.04150 -0.07449 0.12230 0.03925 210 4ZZ -0.12750 -0.01755 0.11934 0.12623 0.06882 211 4XY -0.09202 -0.01605 -0.60313 0.01789 0.22689 212 4XZ -0.03338 0.10175 -0.22444 -0.05084 -0.15825 213 4YZ 0.05010 0.05549 0.12996 0.02824 -0.02301 214 23 H 1S 0.05355 -0.05023 0.07423 -0.06999 -0.00949 215 2S -0.08924 0.04327 0.01770 0.11844 -0.00433 181 182 183 184 185 V V V V V Eigenvalues -- 2.45222 2.47126 2.50715 2.57242 2.57977 1 1 C 1S 0.00767 -0.04012 0.04597 -0.05722 -0.00263 2 2S 0.09368 -0.64907 0.26053 -0.19514 0.27895 3 2PX -0.08380 -0.01852 -0.11288 0.02960 0.00678 4 2PY 0.00751 -0.04149 -0.20889 -0.21448 -0.04667 5 2PZ -0.00025 -0.09569 -0.09319 -0.01330 0.06206 6 3S -0.36282 3.09556 -1.69882 2.17460 -0.28770 7 3PX 0.05454 -0.05874 -0.72314 0.34275 -0.04930 8 3PY -0.15588 -1.30745 -0.15649 -1.01719 -0.33885 9 3PZ 0.07279 1.15770 -0.67204 0.49524 -0.30901 10 4XX -0.05504 0.08042 0.01848 -0.22993 -0.24680 11 4YY 0.01839 0.01769 -0.04715 0.45252 0.09411 12 4ZZ 0.04300 0.00488 0.03411 -0.18300 0.07641 13 4XY -0.02390 -0.02626 -0.17815 -0.23748 -0.25478 14 4XZ -0.06917 -0.15587 -0.35821 0.21033 0.04137 15 4YZ 0.00659 0.02063 -0.16662 -0.27311 0.28894 16 2 C 1S 0.00767 0.04012 0.04597 0.05722 0.00263 17 2S 0.09370 0.64907 0.26054 0.19514 -0.27895 18 2PX -0.08380 0.01852 -0.11289 -0.02960 -0.00678 19 2PY -0.00751 -0.04149 0.20889 -0.21448 -0.04666 20 2PZ -0.00024 0.09569 -0.09319 0.01330 -0.06206 21 3S -0.36292 -3.09555 -1.69888 -2.17457 0.28770 22 3PX 0.05453 0.05874 -0.72314 -0.34274 0.04931 23 3PY 0.15582 -1.30744 0.15645 -1.01720 -0.33885 24 3PZ 0.07274 -1.15770 -0.67205 -0.49524 0.30902 25 4XX -0.05505 -0.08041 0.01847 0.22993 0.24681 26 4YY 0.01839 -0.01769 -0.04715 -0.45252 -0.09412 27 4ZZ 0.04301 -0.00488 0.03411 0.18300 -0.07641 28 4XY 0.02390 -0.02626 0.17815 -0.23748 -0.25477 29 4XZ -0.06916 0.15587 -0.35821 -0.21032 -0.04137 30 4YZ -0.00659 0.02063 0.16661 -0.27311 0.28895 31 3 C 1S -0.01106 0.00828 -0.10793 0.00706 -0.01676 32 2S 0.03281 0.07616 -0.43949 -0.10143 -0.17633 33 2PX 0.01129 -0.08105 -0.02503 0.00136 0.05925 34 2PY 0.01936 -0.06575 0.13909 -0.04424 0.01411 35 2PZ 0.01641 -0.02726 -0.02045 0.04523 -0.00278 36 3S 0.14639 0.24878 2.80301 0.05486 0.61266 37 3PX -0.17396 -0.06529 -0.42965 -0.32992 0.56547 38 3PY 0.03195 1.12275 1.38524 0.06337 0.43558 39 3PZ -0.20941 0.18185 -0.16198 -0.15554 0.57080 40 4XX -0.03709 0.15404 -0.15219 0.05772 0.29269 41 4YY -0.00385 -0.02741 0.19743 0.07026 0.01154 42 4ZZ -0.00162 -0.11269 -0.18718 -0.08951 -0.29592 43 4XY -0.03149 0.09009 -0.15194 -0.05293 -0.11481 44 4XZ 0.05107 -0.06994 0.60484 -0.00641 0.05081 45 4YZ 0.02542 -0.04308 0.15607 -0.35108 0.15873 46 4 C 1S 0.00212 -0.00379 0.04033 -0.05056 0.01708 47 2S 0.09984 0.00652 0.14967 -0.14260 0.16905 48 2PX -0.01980 0.01630 0.09525 -0.01735 0.03266 49 2PY 0.02914 -0.00993 0.17189 0.16776 0.06082 50 2PZ -0.00128 0.00585 0.11527 -0.01509 -0.02510 51 3S 0.05921 -0.85882 -1.03695 1.84186 -1.17998 52 3PX 0.07442 0.21105 0.45349 -0.34237 0.50647 53 3PY -0.12528 -0.48048 -0.05786 0.72447 0.10996 54 3PZ 0.03724 0.22151 0.50636 -0.42392 0.60619 55 4XX -0.01156 0.10025 0.06367 -0.11923 0.08709 56 4YY -0.03394 -0.03264 -0.01789 0.31759 0.07218 57 4ZZ 0.01749 -0.10371 -0.01575 -0.17752 -0.14886 58 4XY -0.02045 0.12280 -0.11122 -0.14485 0.30425 59 4XZ -0.03422 0.10563 -0.30069 0.32959 -0.10813 60 4YZ -0.01644 -0.08659 -0.12428 -0.19309 -0.22253 61 5 C 1S 0.00212 0.00379 0.04033 0.05056 -0.01707 62 2S 0.09984 -0.00653 0.14968 0.14260 -0.16905 63 2PX -0.01980 -0.01630 0.09525 0.01734 -0.03266 64 2PY -0.02914 -0.00993 -0.17189 0.16776 0.06081 65 2PZ -0.00128 -0.00585 0.11527 0.01509 0.02511 66 3S 0.05924 0.85885 -1.03696 -1.84185 1.17999 67 3PX 0.07441 -0.21105 0.45349 0.34236 -0.50648 68 3PY 0.12527 -0.48048 0.05786 0.72447 0.10996 69 3PZ 0.03723 -0.22152 0.50637 0.42392 -0.60619 70 4XX -0.01156 -0.10025 0.06367 0.11924 -0.08709 71 4YY -0.03394 0.03265 -0.01789 -0.31759 -0.07218 72 4ZZ 0.01750 0.10370 -0.01575 0.17752 0.14886 73 4XY 0.02045 0.12279 0.11123 -0.14485 0.30426 74 4XZ -0.03422 -0.10562 -0.30070 -0.32958 0.10814 75 4YZ 0.01644 -0.08660 0.12427 -0.19310 -0.22252 76 6 C 1S -0.01106 -0.00828 -0.10793 -0.00706 0.01676 77 2S 0.03281 -0.07616 -0.43949 0.10144 0.17633 78 2PX 0.01129 0.08105 -0.02503 -0.00136 -0.05924 79 2PY -0.01937 -0.06575 -0.13909 -0.04424 0.01411 80 2PZ 0.01641 0.02726 -0.02045 -0.04523 0.00277 81 3S 0.14638 -0.24879 2.80301 -0.05490 -0.61267 82 3PX -0.17397 0.06526 -0.42962 0.32993 -0.56547 83 3PY -0.03191 1.12278 -1.38523 0.06339 0.43558 84 3PZ -0.20943 -0.18187 -0.16198 0.15555 -0.57081 85 4XX -0.03709 -0.15404 -0.15220 -0.05771 -0.29268 86 4YY -0.00385 0.02741 0.19744 -0.07027 -0.01157 87 4ZZ -0.00162 0.11269 -0.18718 0.08952 0.29593 88 4XY 0.03149 0.09008 0.15193 -0.05294 -0.11480 89 4XZ 0.05107 0.06994 0.60484 0.00641 -0.05081 90 4YZ -0.02543 -0.04308 -0.15607 -0.35107 0.15871 91 7 H 1S 0.07111 0.06112 -0.01377 -0.17750 0.04517 92 2S 0.07831 0.30165 -0.09134 0.29970 -0.07810 93 8 H 1S 0.07111 -0.06112 -0.01377 0.17749 -0.04517 94 2S 0.07829 -0.30165 -0.09134 -0.29970 0.07810 95 9 H 1S -0.02238 -0.06603 0.01889 -0.21585 0.05093 96 2S -0.04912 -0.10145 -0.13874 0.26717 -0.15118 97 10 H 1S -0.02238 0.06603 0.01889 0.21585 -0.05094 98 2S -0.04912 0.10146 -0.13874 -0.26716 0.15118 99 11 O 1S 0.00204 -0.00348 0.00991 -0.00062 -0.00072 100 2S -0.00901 -0.15342 -0.26561 -0.00281 -0.07284 101 2PX -0.00304 -0.00247 0.00775 -0.02383 0.01050 102 2PY -0.01063 0.02148 -0.12289 -0.00849 -0.02710 103 2PZ -0.00825 0.00255 -0.02583 -0.01993 0.01389 104 3S -0.01787 0.78850 0.44078 0.02637 0.19136 105 3PX 0.02874 -0.01937 0.03113 0.10772 -0.17552 106 3PY -0.00195 0.14248 0.11361 0.01833 0.03418 107 3PZ 0.05741 -0.01204 0.10379 -0.05414 -0.06529 108 4XX 0.01122 0.00599 -0.04107 -0.02980 -0.07412 109 4YY -0.00570 -0.07500 0.07977 0.05081 -0.02994 110 4ZZ 0.00522 0.06359 -0.01926 -0.03021 0.08856 111 4XY 0.00176 0.04059 -0.00178 -0.00172 -0.21493 112 4XZ -0.00977 0.00595 -0.12504 0.03864 -0.03831 113 4YZ 0.04964 -0.06633 0.08562 -0.30457 0.03182 114 12 O 1S 0.00204 0.00348 0.00991 0.00062 0.00072 115 2S -0.00901 0.15343 -0.26561 0.00281 0.07285 116 2PX -0.00304 0.00247 0.00775 0.02383 -0.01050 117 2PY 0.01063 0.02148 0.12289 -0.00849 -0.02711 118 2PZ -0.00825 -0.00255 -0.02583 0.01993 -0.01389 119 3S -0.01790 -0.78852 0.44077 -0.02637 -0.19138 120 3PX 0.02874 0.01937 0.03113 -0.10772 0.17551 121 3PY 0.00196 0.14249 -0.11360 0.01833 0.03420 122 3PZ 0.05742 0.01204 0.10379 0.05414 0.06530 123 4XX 0.01122 -0.00599 -0.04106 0.02980 0.07413 124 4YY -0.00570 0.07500 0.07978 -0.05081 0.02992 125 4ZZ 0.00522 -0.06359 -0.01927 0.03021 -0.08856 126 4XY -0.00176 0.04059 0.00177 -0.00172 -0.21491 127 4XZ -0.00977 -0.00594 -0.12503 -0.03864 0.03831 128 4YZ -0.04965 -0.06633 -0.08562 -0.30457 0.03180 129 13 C 1S -0.09297 0.00000 0.02148 0.00000 0.00000 130 2S -0.26105 0.00001 0.10778 0.00000 0.00000 131 2PX 0.17849 0.00000 -0.01195 0.00000 0.00000 132 2PY 0.00000 0.16110 0.00000 0.09768 0.06684 133 2PZ 0.22701 0.00000 -0.01386 0.00000 0.00000 134 3S 2.99230 -0.00006 -0.69842 -0.00001 0.00003 135 3PX 1.23230 -0.00003 -0.34321 -0.00001 0.00001 136 3PY 0.00000 0.06974 0.00000 0.24727 0.15356 137 3PZ 0.77275 -0.00002 -0.28483 0.00000 0.00001 138 4XX -0.35580 0.00000 0.12681 0.00000 0.00000 139 4YY 0.36124 0.00000 -0.11000 0.00000 0.00000 140 4ZZ -0.08849 0.00000 -0.00430 0.00000 0.00000 141 4XY -0.00001 -0.02458 0.00000 0.13850 0.07922 142 4XZ 0.69379 -0.00002 -0.05803 0.00000 0.00000 143 4YZ 0.00000 -0.14631 0.00000 0.21831 0.09733 144 14 H 1S -0.08062 0.00000 0.06608 0.00000 0.00000 145 2S -0.02637 0.00000 -0.18618 0.00000 0.00000 146 15 H 1S 0.27221 -0.00001 -0.05670 0.00000 0.00000 147 2S 0.07531 0.00000 -0.03817 0.00000 0.00000 148 16 C 1S 0.07111 -0.04520 -0.01200 -0.02196 -0.02471 149 2S 0.15844 -1.02792 0.03189 0.05460 0.08123 150 2PX 0.09335 -0.04158 0.01065 0.01038 0.02868 151 2PY -0.16754 -0.20700 0.01477 0.06431 0.08423 152 2PZ 0.01456 -0.02593 -0.01039 0.00361 0.13865 153 3S -2.47757 2.20210 0.35773 0.31639 1.24125 154 3PX 0.08159 0.75123 -0.07646 -0.08822 -0.02653 155 3PY -1.12714 1.27766 0.29971 0.21330 0.39205 156 3PZ -0.16175 0.32186 0.01914 -0.04372 0.46609 157 4XX 0.36841 0.14164 -0.04022 -0.03807 -0.16791 158 4YY -0.34026 0.12030 -0.05296 0.04159 0.02807 159 4ZZ 0.03974 -0.08687 0.06744 -0.03213 0.08676 160 4XY 0.23385 0.24259 -0.05394 -0.08098 -0.05815 161 4XZ -0.42811 0.31657 0.07937 0.07378 0.15613 162 4YZ 0.06977 -0.01040 -0.05186 -0.05925 0.09975 163 17 H 1S 0.15587 -0.06596 0.04657 0.00735 -0.05138 164 2S -0.20328 0.40246 0.09900 0.03804 0.05441 165 18 C 1S -0.02722 -0.01245 0.00170 -0.01081 0.06497 166 2S -0.15816 -0.19570 -0.11625 0.07716 0.22411 167 2PX -0.01550 -0.00505 0.00566 0.02382 0.01174 168 2PY -0.10133 0.00167 -0.02970 0.11522 -0.16612 169 2PZ -0.08991 0.11533 0.06473 0.01084 0.04511 170 3S 1.04411 -0.75353 -0.10943 0.09718 -2.73419 171 3PX -0.08049 0.01133 0.00302 -0.01668 0.32026 172 3PY 0.08676 0.07145 0.10875 0.14828 -0.90851 173 3PZ -0.59430 0.45072 -0.02309 -0.01376 1.05953 174 4XX -0.28202 0.01855 -0.01649 -0.07166 0.44043 175 4YY 0.01366 0.04064 0.04814 0.19579 -0.31606 176 4ZZ 0.25193 -0.05110 -0.00795 -0.13819 -0.12195 177 4XY -0.03441 0.34051 0.01788 0.02357 0.05065 178 4XZ 0.00461 0.45008 -0.00679 -0.05307 -0.16713 179 4YZ 0.00287 -0.15098 -0.04846 -0.04321 0.00306 180 19 H 1S -0.08611 -0.11049 -0.00139 0.02804 0.10018 181 2S 0.12736 -0.00208 0.06437 0.03450 -0.33008 182 20 C 1S 0.07112 0.04520 -0.01200 0.02196 0.02471 183 2S 0.15847 1.02792 0.03189 -0.05461 -0.08123 184 2PX 0.09335 0.04158 0.01065 -0.01038 -0.02868 185 2PY 0.16754 -0.20700 -0.01477 0.06431 0.08423 186 2PZ 0.01457 0.02593 -0.01039 -0.00361 -0.13865 187 3S -2.47759 -2.20203 0.35770 -0.31638 -1.24129 188 3PX 0.08156 -0.75124 -0.07646 0.08822 0.02653 189 3PY 1.12715 1.27760 -0.29970 0.21328 0.39208 190 3PZ -0.16175 -0.32187 0.01914 0.04373 -0.46609 191 4XX 0.36840 -0.14166 -0.04022 0.03807 0.16791 192 4YY -0.34027 -0.12028 -0.05296 -0.04159 -0.02808 193 4ZZ 0.03975 0.08687 0.06744 0.03213 -0.08676 194 4XY -0.23383 0.24260 0.05394 -0.08098 -0.05815 195 4XZ -0.42812 -0.31656 0.07937 -0.07378 -0.15614 196 4YZ -0.06977 -0.01039 0.05186 -0.05925 0.09974 197 21 H 1S 0.15588 0.06595 0.04657 -0.00735 0.05138 198 2S -0.20329 -0.40245 0.09900 -0.03803 -0.05442 199 22 C 1S -0.02721 0.01245 0.00171 0.01081 -0.06497 200 2S -0.15815 0.19571 -0.11625 -0.07716 -0.22412 201 2PX -0.01550 0.00505 0.00566 -0.02382 -0.01175 202 2PY 0.10133 0.00167 0.02971 0.11522 -0.16612 203 2PZ -0.08992 -0.11533 0.06473 -0.01084 -0.04511 204 3S 1.04405 0.75351 -0.10942 -0.09718 2.73421 205 3PX -0.08048 -0.01133 0.00302 0.01668 -0.32026 206 3PY -0.08673 0.07145 -0.10876 0.14828 -0.90852 207 3PZ -0.59428 -0.45070 -0.02310 0.01376 -1.05954 208 4XX -0.28201 -0.01854 -0.01649 0.07166 -0.44044 209 4YY 0.01365 -0.04064 0.04813 -0.19579 0.31607 210 4ZZ 0.25193 0.05110 -0.00795 0.13819 0.12195 211 4XY 0.03442 0.34051 -0.01788 0.02357 0.05065 212 4XZ 0.00459 -0.45009 -0.00679 0.05307 0.16714 213 4YZ -0.00287 -0.15098 0.04845 -0.04321 0.00306 214 23 H 1S -0.08611 0.11050 -0.00138 -0.02804 -0.10019 215 2S 0.12735 0.00208 0.06437 -0.03450 0.33008 186 187 188 189 190 V V V V V Eigenvalues -- 2.59740 2.62870 2.62883 2.63412 2.65579 1 1 C 1S -0.00111 0.03636 -0.00877 -0.01328 -0.00242 2 2S -0.00059 0.34223 0.12786 -0.17639 0.14582 3 2PX -0.01294 0.04091 0.09437 0.05199 0.02276 4 2PY 0.00737 0.07054 0.13625 0.06178 0.06263 5 2PZ 0.01401 -0.00340 0.07395 0.01511 0.04785 6 3S 0.06107 -1.90295 -0.07240 1.26957 -0.50196 7 3PX -0.01506 0.22705 -0.04382 0.21867 -0.16317 8 3PY 0.09313 0.42764 0.01700 -0.47520 -0.26053 9 3PZ -0.04726 -0.23476 -0.11371 0.43416 -0.16904 10 4XX -0.13477 0.03312 -0.07209 0.21509 -0.00799 11 4YY 0.03994 -0.14009 0.17519 -0.10328 0.05174 12 4ZZ 0.08725 0.04825 -0.20163 -0.09035 -0.13247 13 4XY 0.02352 -0.10289 0.15046 0.00138 0.06550 14 4XZ -0.04831 0.08380 -0.07567 0.07985 -0.09659 15 4YZ 0.03668 0.26704 0.12715 -0.02020 0.02045 16 2 C 1S -0.00110 -0.03634 -0.00884 0.01328 -0.00242 17 2S -0.00059 -0.34250 0.12716 0.17639 0.14582 18 2PX -0.01294 -0.04111 0.09428 -0.05200 0.02277 19 2PY -0.00737 0.07082 -0.13609 0.06179 -0.06263 20 2PZ 0.01400 0.00324 0.07396 -0.01512 0.04785 21 3S 0.06101 1.90310 -0.06852 -1.26959 -0.50196 22 3PX -0.01506 -0.22695 -0.04432 -0.21867 -0.16319 23 3PY -0.09316 0.42767 -0.01615 -0.47520 0.26054 24 3PZ -0.04727 0.23500 -0.11326 -0.43417 -0.16904 25 4XX -0.13475 -0.03297 -0.07217 -0.21509 -0.00798 26 4YY 0.03993 0.13972 0.17549 0.10326 0.05173 27 4ZZ 0.08725 -0.04782 -0.20173 0.09036 -0.13248 28 4XY -0.02353 -0.10258 -0.15068 0.00139 -0.06550 29 4XZ -0.04832 -0.08365 -0.07585 -0.07985 -0.09659 30 4YZ -0.03667 0.26730 -0.12659 -0.02019 -0.02046 31 3 C 1S -0.01315 -0.03241 -0.00964 -0.02257 -0.01457 32 2S -0.14181 -0.02288 -0.14509 -0.21482 -0.06284 33 2PX -0.09885 -0.00610 0.00023 -0.05307 0.00389 34 2PY 0.01438 0.14432 0.00996 0.00640 0.01717 35 2PZ 0.09067 0.09615 -0.02424 0.04101 -0.00817 36 3S 0.21991 0.86997 -0.36360 0.96399 0.19643 37 3PX -0.05224 0.55132 -0.02957 -0.04303 -0.30343 38 3PY 0.15714 0.08060 0.36988 0.86207 0.17123 39 3PZ 0.27564 0.60880 0.02202 0.33077 -0.32095 40 4XX -0.18923 0.05817 -0.23289 -0.12666 -0.07384 41 4YY 0.30952 0.12038 0.44859 0.14857 0.18865 42 4ZZ -0.12440 -0.25900 -0.25233 0.02922 -0.16063 43 4XY 0.42642 0.23141 -0.15446 0.20172 -0.12654 44 4XZ 0.08094 0.15850 -0.36511 0.16144 -0.12617 45 4YZ -0.44040 -0.13927 0.10186 -0.25646 0.09810 46 4 C 1S 0.00292 0.02313 -0.01985 0.00915 -0.01126 47 2S 0.05118 0.34585 0.06929 -0.02625 0.04124 48 2PX -0.02098 -0.01907 -0.06636 0.02472 -0.03397 49 2PY -0.01888 0.08861 -0.14823 0.09163 -0.06365 50 2PZ -0.00829 -0.01820 -0.10523 0.04182 -0.04587 51 3S -0.27048 -1.26322 0.06442 -0.60724 0.23110 52 3PX 0.09307 0.68182 0.04185 0.26243 0.01593 53 3PY 0.09165 0.32153 0.00245 0.12524 -0.10806 54 3PZ 0.07902 0.73234 0.04482 0.39831 0.00436 55 4XX 0.04886 0.09105 -0.18162 0.02925 -0.09625 56 4YY 0.03676 0.12782 0.17279 0.15111 0.07838 57 4ZZ -0.10543 -0.24316 -0.11537 -0.09333 -0.05811 58 4XY 0.03492 0.15805 0.12878 -0.19707 0.05233 59 4XZ -0.07321 -0.22553 -0.08488 -0.06697 -0.03522 60 4YZ 0.03594 -0.21618 0.18001 0.02007 0.06859 61 5 C 1S 0.00292 -0.02308 -0.01990 -0.00915 -0.01126 62 2S 0.05117 -0.34600 0.06856 0.02625 0.04124 63 2PX -0.02098 0.01921 -0.06633 -0.02471 -0.03397 64 2PY 0.01888 0.08831 0.14842 0.09161 0.06365 65 2PZ -0.00829 0.01842 -0.10519 -0.04181 -0.04586 66 3S -0.27043 1.26308 0.06714 0.60722 0.23110 67 3PX 0.09305 -0.68191 0.04038 -0.26243 0.01593 68 3PY -0.09165 0.32152 -0.00175 0.12524 0.10805 69 3PZ 0.07900 -0.73243 0.04324 -0.39831 0.00436 70 4XX 0.04887 -0.09068 -0.18181 -0.02924 -0.09625 71 4YY 0.03676 -0.12817 0.17250 -0.15113 0.07838 72 4ZZ -0.10543 0.24340 -0.11485 0.09334 -0.05812 73 4XY -0.03491 0.15832 -0.12847 -0.19706 -0.05233 74 4XZ -0.07321 0.22571 -0.08440 0.06697 -0.03521 75 4YZ -0.03595 -0.21580 -0.18046 0.02009 -0.06859 76 6 C 1S -0.01315 0.03243 -0.00957 0.02257 -0.01457 77 2S -0.14180 0.02318 -0.14501 0.21483 -0.06283 78 2PX -0.09885 0.00610 0.00024 0.05307 0.00389 79 2PY -0.01438 0.14435 -0.00966 0.00640 -0.01717 80 2PZ 0.09068 -0.09610 -0.02444 -0.04101 -0.00817 81 3S 0.21986 -0.86921 -0.36553 -0.96394 0.19642 82 3PX -0.05225 -0.55126 -0.03073 0.04301 -0.30342 83 3PY -0.15710 0.08137 -0.36962 0.86208 -0.17124 84 3PZ 0.27563 -0.60884 0.02070 -0.33077 -0.32093 85 4XX -0.18923 -0.05769 -0.23300 0.12667 -0.07384 86 4YY 0.30951 -0.12130 0.44833 -0.14859 0.18866 87 4ZZ -0.12439 0.25953 -0.25179 -0.02921 -0.16063 88 4XY -0.42645 0.23108 0.15494 0.20172 0.12653 89 4XZ 0.08093 -0.15774 -0.36546 -0.16141 -0.12617 90 4YZ 0.44041 -0.13905 -0.10217 -0.25645 -0.09809 91 7 H 1S -0.01030 0.15197 0.11777 0.02753 0.10025 92 2S -0.05170 0.03281 -0.08536 0.08212 -0.06859 93 8 H 1S -0.01030 -0.15221 0.11744 -0.02754 0.10026 94 2S -0.05170 -0.03263 -0.08544 -0.08211 -0.06859 95 9 H 1S 0.06911 0.06616 0.13089 -0.03846 0.03418 96 2S -0.03145 -0.15982 -0.09856 -0.02881 -0.06596 97 10 H 1S 0.06911 -0.06643 0.13075 0.03845 0.03418 98 2S -0.03144 0.16003 -0.09822 0.02882 -0.06595 99 11 O 1S -0.00300 0.00154 -0.00451 -0.00236 0.00384 100 2S -0.11977 -0.06083 -0.48008 -0.13047 -0.21556 101 2PX 0.00667 0.02415 0.03264 -0.00907 0.01454 102 2PY -0.06653 -0.02689 -0.26236 -0.01324 -0.12402 103 2PZ -0.00574 0.00812 -0.01916 0.00658 -0.01699 104 3S 0.23329 -0.01730 0.91701 0.48273 0.29861 105 3PX 0.19424 -0.04489 -0.08459 0.10158 -0.00834 106 3PY 0.15908 0.06160 0.40583 0.12738 0.14392 107 3PZ -0.22256 -0.19591 0.06056 -0.15500 0.10862 108 4XX -0.15204 -0.13645 -0.08880 -0.03659 -0.02176 109 4YY 0.22495 0.15533 0.01418 0.10008 -0.00672 110 4ZZ -0.12817 -0.01441 -0.08851 -0.07637 -0.00097 111 4XY 0.43126 0.11171 -0.09945 0.21984 -0.06390 112 4XZ 0.11477 0.05292 0.07880 0.04883 0.02567 113 4YZ -0.44254 -0.22607 0.09047 -0.27550 0.10759 114 12 O 1S -0.00300 -0.00153 -0.00451 0.00236 0.00384 115 2S -0.11976 0.06183 -0.47993 0.13049 -0.21556 116 2PX 0.00667 -0.02422 0.03258 0.00907 0.01454 117 2PY 0.06653 -0.02744 0.26230 -0.01325 0.12402 118 2PZ -0.00574 -0.00808 -0.01918 -0.00658 -0.01699 119 3S 0.23328 0.01539 0.91700 -0.48280 0.29861 120 3PX 0.19425 0.04507 -0.08449 -0.10157 -0.00833 121 3PY -0.15908 0.06244 -0.40569 0.12741 -0.14392 122 3PZ -0.22257 0.19578 0.06099 0.15499 0.10861 123 4XX -0.15203 0.13663 -0.08851 0.03659 -0.02177 124 4YY 0.22495 -0.15535 0.01385 -0.10008 -0.00672 125 4ZZ -0.12818 0.01459 -0.08847 0.07638 -0.00097 126 4XY -0.43129 0.11150 0.09969 0.21984 0.06389 127 4XZ 0.11477 -0.05307 0.07869 -0.04883 0.02568 128 4YZ 0.44255 -0.22587 -0.09096 -0.27550 -0.10758 129 13 C 1S 0.00024 0.00002 -0.01422 0.00000 0.04084 130 2S -0.12793 -0.00006 0.05500 0.00000 0.17659 131 2PX -0.03130 -0.00004 0.03520 0.00000 -0.04501 132 2PY 0.00000 -0.26339 -0.00028 -0.06770 0.00000 133 2PZ -0.00414 -0.00003 0.02493 0.00000 -0.05755 134 3S 0.25510 0.00007 -0.09011 0.00000 -0.77138 135 3PX 0.15762 0.00002 -0.02075 0.00000 -0.36875 136 3PY 0.00001 -0.48000 -0.00052 -0.39458 0.00000 137 3PZ 0.00584 -0.00004 0.02263 0.00000 -0.12355 138 4XX -0.03146 0.00004 -0.03488 0.00000 0.00774 139 4YY 0.02381 0.00001 -0.00988 0.00000 0.15556 140 4ZZ 0.05895 -0.00001 0.01376 0.00000 -0.17437 141 4XY 0.00000 -0.20318 -0.00022 -0.22682 0.00000 142 4XZ 0.01889 -0.00012 0.11310 -0.00001 -0.30811 143 4YZ 0.00000 -0.10342 -0.00012 -0.37842 0.00000 144 14 H 1S -0.05553 0.00000 -0.00130 0.00000 0.13664 145 2S -0.02475 -0.00008 0.07408 0.00000 -0.09794 146 15 H 1S 0.02750 -0.00002 0.02428 0.00000 -0.02865 147 2S 0.02923 0.00001 -0.00414 0.00000 -0.04080 148 16 C 1S 0.00722 0.07696 -0.01643 0.00207 0.02206 149 2S 0.04047 0.66801 -0.11191 -0.15293 -0.00383 150 2PX 0.00339 -0.00708 0.02749 0.07164 -0.08765 151 2PY -0.02151 0.02284 0.01407 -0.08184 -0.02481 152 2PZ -0.02398 -0.22503 0.15133 0.15468 -0.28983 153 3S -0.27569 -3.53161 0.69751 1.01812 -0.68922 154 3PX -0.03546 -0.38983 0.15616 0.36046 -0.19973 155 3PY -0.04898 -1.78968 0.19538 0.45560 -0.17699 156 3PZ -0.03596 -0.69802 0.34955 0.55679 -0.80927 157 4XX 0.01896 0.23875 -0.06289 -0.02700 0.09064 158 4YY 0.03635 -0.13552 -0.17243 -0.11193 0.45206 159 4ZZ -0.06506 -0.21191 0.29307 0.16115 -0.59374 160 4XY 0.00460 -0.02132 0.06402 0.20468 -0.10509 161 4XZ -0.02627 -0.24584 0.11617 -0.01239 -0.29756 162 4YZ -0.05708 -0.08435 0.19606 0.15116 -0.30464 163 17 H 1S -0.00281 0.05414 0.02423 0.00863 -0.14368 164 2S 0.02775 -0.44140 0.04380 0.10449 -0.05554 165 18 C 1S -0.00474 -0.06962 0.02255 0.07417 -0.04018 166 2S 0.08130 -0.23502 -0.05603 0.23823 0.00860 167 2PX -0.00366 -0.03659 0.03608 0.02022 -0.07080 168 2PY -0.01344 0.08621 0.06568 -0.33042 -0.14160 169 2PZ -0.05444 -0.16461 0.17975 0.04382 -0.32007 170 3S 0.05769 4.24608 -0.58353 -3.36182 1.08852 171 3PX -0.03190 -0.42695 0.08646 0.11890 -0.17297 172 3PY -0.00401 1.25108 0.06406 -1.28540 -0.13606 173 3PZ -0.04226 -1.76252 0.33104 1.03086 -0.64052 174 4XX -0.02959 -0.43621 0.12246 0.48578 -0.22209 175 4YY -0.03120 0.18921 0.08249 -0.64722 -0.10770 176 4ZZ 0.03813 0.24528 -0.21777 0.08457 0.40665 177 4XY 0.01623 -0.03901 -0.03119 -0.05429 0.05847 178 4XZ 0.02297 0.14566 -0.09636 -0.08049 0.17159 179 4YZ 0.02520 0.08506 -0.12060 0.03726 0.30005 180 19 H 1S 0.00690 -0.06547 0.00892 0.09167 0.00435 181 2S 0.01343 0.47121 -0.06053 -0.34100 0.13147 182 20 C 1S 0.00722 -0.07692 -0.01659 -0.00207 0.02206 183 2S 0.04048 -0.66778 -0.11329 0.15294 -0.00384 184 2PX 0.00338 0.00703 0.02750 -0.07165 -0.08765 185 2PY 0.02151 0.02287 -0.01403 -0.08184 0.02482 186 2PZ -0.02399 0.22471 0.15179 -0.15470 -0.28983 187 3S -0.27584 3.53018 0.70479 -1.01820 -0.68919 188 3PX -0.03547 0.38950 0.15695 -0.36048 -0.19972 189 3PY 0.04904 -1.78928 -0.19908 0.45561 0.17698 190 3PZ -0.03599 0.69729 0.35096 -0.55684 -0.80926 191 4XX 0.01898 -0.23862 -0.06338 0.02700 0.09064 192 4YY 0.03634 0.13588 -0.17214 0.11195 0.45206 193 4ZZ -0.06507 0.21129 0.29350 -0.16119 -0.59373 194 4XY -0.00460 -0.02119 -0.06405 0.20469 0.10509 195 4XZ -0.02628 0.24560 0.11668 0.01237 -0.29756 196 4YZ 0.05708 -0.08393 -0.19622 0.15118 0.30464 197 21 H 1S -0.00280 -0.05420 0.02412 -0.00863 -0.14368 198 2S 0.02774 0.44131 0.04471 -0.10449 -0.05553 199 22 C 1S -0.00474 0.06957 0.02269 -0.07417 -0.04018 200 2S 0.08129 0.23515 -0.05557 -0.23823 0.00861 201 2PX -0.00366 0.03652 0.03616 -0.02023 -0.07080 202 2PY 0.01343 0.08635 -0.06553 -0.33042 0.14160 203 2PZ -0.05445 0.16423 0.18009 -0.04384 -0.32007 204 3S 0.05793 -4.24486 -0.59211 3.36190 1.08846 205 3PX -0.03192 0.42678 0.08734 -0.11892 -0.17297 206 3PY 0.00394 1.25123 -0.06155 -1.28540 0.13608 207 3PZ -0.04236 1.76183 0.33463 -1.03090 -0.64049 208 4XX -0.02962 0.43595 0.12333 -0.48580 -0.22208 209 4YY -0.03118 -0.18939 0.08215 0.64721 -0.10771 210 4ZZ 0.03814 -0.24482 -0.21829 -0.08454 0.40665 211 4XY -0.01623 -0.03908 0.03111 -0.05429 -0.05848 212 4XZ 0.02299 -0.14546 -0.09666 0.08051 0.17159 213 4YZ -0.02520 0.08481 0.12078 0.03724 -0.30004 214 23 H 1S 0.00689 0.06545 0.00905 -0.09168 0.00435 215 2S 0.01346 -0.47108 -0.06149 0.34101 0.13146 191 192 193 194 195 V V V V V Eigenvalues -- 2.66895 2.68099 2.71168 2.76370 2.83234 1 1 C 1S 0.01647 -0.00457 -0.02624 -0.06284 -0.10758 2 2S -0.00324 -0.03197 -0.62750 -0.84357 -0.85287 3 2PX 0.01013 0.00950 0.04592 0.10180 0.08165 4 2PY -0.04512 0.03784 0.22008 -0.08279 -0.21022 5 2PZ -0.04111 0.01259 -0.00247 -0.02948 -0.05002 6 3S -0.94097 0.15286 2.19472 5.62438 6.13358 7 3PX -0.37169 0.12339 0.62198 0.74801 1.65413 8 3PY -0.06065 -0.04406 0.41354 -2.35643 -0.62789 9 3PZ -0.44356 0.11510 1.15163 1.59376 2.18464 10 4XX -0.17546 -0.01001 0.25332 -0.04304 -0.11496 11 4YY 0.13253 0.02600 -0.42223 0.21796 0.50924 12 4ZZ 0.13238 -0.01259 0.27347 0.07256 -0.22853 13 4XY -0.09003 0.02949 0.27129 -0.20954 0.34650 14 4XZ -0.00239 0.02886 0.28062 0.20997 0.34627 15 4YZ -0.12227 0.03618 0.08599 -0.39359 0.21884 16 2 C 1S -0.01647 -0.00457 0.02625 0.06284 0.10758 17 2S 0.00323 -0.03196 0.62750 0.84357 0.85287 18 2PX -0.01013 0.00950 -0.04592 -0.10180 -0.08164 19 2PY -0.04512 -0.03784 0.22008 -0.08279 -0.21022 20 2PZ 0.04111 0.01259 0.00247 0.02948 0.05002 21 3S 0.94098 0.15281 -2.19471 -5.62437 -6.13357 22 3PX 0.37169 0.12339 -0.62199 -0.74798 -1.65413 23 3PY -0.06064 0.04407 0.41353 -2.35644 -0.62791 24 3PZ 0.44357 0.11509 -1.15163 -1.59375 -2.18464 25 4XX 0.17546 -0.01001 -0.25332 0.04304 0.11495 26 4YY -0.13253 0.02600 0.42224 -0.21796 -0.50923 27 4ZZ -0.13238 -0.01259 -0.27346 -0.07256 0.22853 28 4XY -0.09003 -0.02948 0.27129 -0.20954 0.34650 29 4XZ 0.00239 0.02886 -0.28062 -0.20996 -0.34627 30 4YZ -0.12227 -0.03618 0.08599 -0.39359 0.21884 31 3 C 1S 0.03697 0.00879 -0.06322 -0.08997 -0.03945 32 2S 0.32801 0.07087 -0.09355 -0.73971 -0.40905 33 2PX 0.05481 0.01774 -0.03527 0.05678 -0.26234 34 2PY -0.08755 -0.00274 0.22808 0.19101 0.15278 35 2PZ -0.00809 0.00708 -0.03049 0.11050 -0.22313 36 3S -1.70192 -0.33956 2.01177 3.95984 1.70182 37 3PX 0.18663 -0.00902 -0.59103 0.21638 -2.21718 38 3PY -0.76608 -0.32026 0.86814 3.28236 1.58112 39 3PZ -0.19274 -0.08274 -0.30866 0.84466 -1.80029 40 4XX 0.14695 -0.01108 -0.02581 -0.14269 0.07451 41 4YY -0.16690 0.01902 -0.00240 0.16068 0.00343 42 4ZZ 0.00703 -0.02224 -0.03490 -0.10775 -0.10710 43 4XY -0.24886 -0.02640 -0.24618 -0.11798 -0.20641 44 4XZ -0.19166 -0.09621 0.20114 0.17191 0.08191 45 4YZ 0.10161 0.01099 0.12388 0.20202 -0.13815 46 4 C 1S -0.04193 -0.00888 -0.02155 0.09177 -0.03503 47 2S -0.15499 0.00606 0.14380 0.47172 -0.06866 48 2PX -0.01816 -0.02674 0.02128 0.01350 0.02997 49 2PY 0.06375 -0.04379 0.38934 -0.25491 0.08016 50 2PZ -0.04872 -0.02396 0.01781 0.03880 0.04146 51 3S 2.08368 0.21310 0.48644 -6.46620 0.16430 52 3PX -0.58699 -0.07631 0.34850 1.92943 -0.36410 53 3PY 0.57798 0.01854 0.60946 -1.91482 -1.52947 54 3PZ -0.62252 -0.10160 0.31353 2.10912 -0.66129 55 4XX -0.13041 -0.03548 -0.32904 0.20754 -0.13891 56 4YY 0.13175 0.01105 0.62961 -0.46819 0.13544 57 4ZZ -0.01397 -0.00894 -0.24408 0.19702 -0.05970 58 4XY -0.03977 0.02231 -0.27468 -0.08354 0.36197 59 4XZ 0.24550 0.02683 -0.09363 -0.34816 0.12047 60 4YZ -0.16099 0.02702 -0.27519 -0.03088 0.43432 61 5 C 1S 0.04193 -0.00888 0.02155 -0.09177 0.03503 62 2S 0.15499 0.00606 -0.14380 -0.47172 0.06866 63 2PX 0.01816 -0.02674 -0.02129 -0.01350 -0.02997 64 2PY 0.06375 0.04379 0.38933 -0.25491 0.08016 65 2PZ 0.04872 -0.02396 -0.01781 -0.03880 -0.04146 66 3S -2.08368 0.21310 -0.48644 6.46621 -0.16428 67 3PX 0.58699 -0.07631 -0.34851 -1.92941 0.36412 68 3PY 0.57799 -0.01854 0.60946 -1.91484 -1.52947 69 3PZ 0.62252 -0.10160 -0.31353 -2.10913 0.66128 70 4XX 0.13041 -0.03547 0.32905 -0.20754 0.13890 71 4YY -0.13175 0.01104 -0.62962 0.46819 -0.13544 72 4ZZ 0.01397 -0.00893 0.24409 -0.19702 0.05970 73 4XY -0.03977 -0.02231 -0.27466 -0.08354 0.36197 74 4XZ -0.24550 0.02683 0.09363 0.34816 -0.12047 75 4YZ -0.16099 -0.02702 -0.27519 -0.03087 0.43432 76 6 C 1S -0.03697 0.00879 0.06322 0.08998 0.03945 77 2S -0.32801 0.07087 0.09356 0.73972 0.40905 78 2PX -0.05481 0.01774 0.03527 -0.05678 0.26234 79 2PY -0.08755 0.00275 0.22808 0.19101 0.15279 80 2PZ 0.00809 0.00708 0.03049 -0.11050 0.22313 81 3S 1.70192 -0.33958 -2.01176 -3.95984 -1.70185 82 3PX -0.18662 -0.00901 0.59102 -0.21642 2.21716 83 3PY -0.76607 0.32027 0.86816 3.28239 1.58116 84 3PZ 0.19275 -0.08273 0.30865 -0.84467 1.80029 85 4XX -0.14695 -0.01108 0.02582 0.14269 -0.07451 86 4YY 0.16689 0.01902 0.00238 -0.16068 -0.00344 87 4ZZ -0.00703 -0.02224 0.03491 0.10775 0.10710 88 4XY -0.24887 0.02640 -0.24618 -0.11798 -0.20641 89 4XZ 0.19165 -0.09622 -0.20113 -0.17191 -0.08191 90 4YZ 0.10161 -0.01100 0.12388 0.20202 -0.13815 91 7 H 1S -0.12227 0.03139 -0.07308 -0.23978 0.05127 92 2S 0.02362 0.00963 0.10757 0.55076 0.40499 93 8 H 1S 0.12227 0.03139 0.07308 0.23978 -0.05127 94 2S -0.02362 0.00964 -0.10757 -0.55076 -0.40499 95 9 H 1S -0.13345 0.01218 -0.14917 -0.02548 0.13550 96 2S 0.24419 0.02297 0.05132 -0.71146 -0.11029 97 10 H 1S 0.13345 0.01218 0.14917 0.02548 -0.13550 98 2S -0.24419 0.02297 -0.05131 0.71147 0.11029 99 11 O 1S -0.00043 0.00142 0.00409 0.01659 0.00693 100 2S 0.10120 0.01062 -0.20230 -0.53895 -0.27549 101 2PX -0.00775 0.00946 -0.01372 0.02646 -0.06431 102 2PY 0.03235 -0.01688 -0.03471 -0.09970 -0.01371 103 2PZ -0.00424 -0.00636 -0.00820 0.01952 -0.05737 104 3S -0.22168 -0.13800 0.41156 1.54083 0.90884 105 3PX -0.11373 -0.01281 0.01671 -0.22610 0.37793 106 3PY -0.09069 -0.01970 0.12777 0.42930 0.31624 107 3PZ 0.09331 0.02600 0.12929 -0.06825 0.43238 108 4XX 0.08310 0.01021 0.02288 0.01488 -0.08160 109 4YY -0.17104 -0.01093 0.02713 0.22236 0.21335 110 4ZZ 0.08893 -0.00340 -0.01019 -0.05875 -0.00763 111 4XY -0.24928 -0.02385 -0.13847 -0.17689 0.10070 112 4XZ -0.03120 0.01232 0.00177 -0.05770 -0.04211 113 4YZ 0.11602 0.02833 0.12923 0.02736 0.17890 114 12 O 1S 0.00043 0.00142 -0.00409 -0.01659 -0.00693 115 2S -0.10119 0.01062 0.20231 0.53895 0.27549 116 2PX 0.00775 0.00946 0.01372 -0.02646 0.06431 117 2PY 0.03235 0.01688 -0.03471 -0.09970 -0.01371 118 2PZ 0.00424 -0.00636 0.00820 -0.01952 0.05737 119 3S 0.22167 -0.13801 -0.41158 -1.54085 -0.90885 120 3PX 0.11373 -0.01282 -0.01672 0.22610 -0.37794 121 3PY -0.09069 0.01971 0.12778 0.42931 0.31623 122 3PZ -0.09331 0.02599 -0.12929 0.06826 -0.43238 123 4XX -0.08310 0.01021 -0.02287 -0.01488 0.08160 124 4YY 0.17104 -0.01093 -0.02713 -0.22236 -0.21335 125 4ZZ -0.08893 -0.00340 0.01019 0.05875 0.00763 126 4XY -0.24929 0.02386 -0.13846 -0.17689 0.10071 127 4XZ 0.03120 0.01232 -0.00177 0.05770 0.04211 128 4YZ 0.11602 -0.02833 0.12923 0.02736 0.17890 129 13 C 1S 0.00000 0.03250 0.00000 0.00000 0.00000 130 2S 0.00000 -0.06703 0.00000 0.00000 0.00000 131 2PX 0.00000 -0.09883 0.00000 0.00000 0.00000 132 2PY -0.31004 0.00000 0.10313 0.04320 -0.03238 133 2PZ 0.00000 -0.07146 0.00000 0.00000 0.00000 134 3S -0.00002 -0.53101 0.00001 -0.00001 -0.00002 135 3PX 0.00000 -0.00007 0.00000 -0.00001 -0.00001 136 3PY -0.88855 0.00001 0.29706 -0.00111 -0.12375 137 3PZ -0.00001 -0.07151 0.00000 -0.00001 -0.00001 138 4XX 0.00000 0.14703 0.00000 0.00000 0.00000 139 4YY -0.00001 -0.63250 0.00000 0.00000 0.00000 140 4ZZ 0.00001 0.52979 0.00000 0.00000 0.00000 141 4XY -0.47066 0.00001 0.12533 -0.02506 -0.10261 142 4XZ 0.00000 0.09019 0.00000 0.00000 0.00000 143 4YZ -0.48266 0.00001 0.05749 -0.02700 -0.11794 144 14 H 1S 0.00000 -0.24343 0.00000 0.00000 0.00000 145 2S 0.00000 0.11570 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 -0.00222 0.00000 0.00000 0.00000 147 2S 0.00000 0.07805 0.00000 0.00000 0.00000 148 16 C 1S 0.07449 0.01332 -0.03644 -0.01587 -0.01654 149 2S 0.24338 -0.00594 -0.36987 -0.30858 -0.06669 150 2PX 0.03198 -0.05493 -0.00004 0.01076 0.08087 151 2PY -0.10591 0.01050 -0.02469 -0.06025 -0.05450 152 2PZ -0.11159 -0.13804 0.04341 -0.06168 -0.01305 153 3S -2.59998 -0.39088 1.42209 0.68264 0.29405 154 3PX 0.04358 -0.16922 0.25221 0.25589 0.21367 155 3PY -1.30963 0.00677 0.66783 0.44110 0.28738 156 3PZ -0.37791 -0.48333 0.14704 0.07454 0.16010 157 4XX 0.22730 0.27148 0.00496 0.09082 0.07967 158 4YY -0.21169 -0.33331 0.03145 0.01640 -0.13321 159 4ZZ -0.01712 0.06980 0.03341 -0.05700 0.00015 160 4XY 0.19511 -0.20486 0.00381 0.07474 0.11111 161 4XZ -0.28298 0.18276 0.06595 -0.05620 -0.05755 162 4YZ 0.07488 -0.54500 -0.02151 -0.06192 0.02261 163 17 H 1S 0.06398 0.31851 -0.02097 -0.00086 0.07033 164 2S -0.37057 -0.16867 0.18806 0.14781 0.08071 165 18 C 1S -0.01798 -0.02359 0.00063 -0.00860 -0.00846 166 2S -0.29764 0.02446 0.03626 -0.09090 -0.03311 167 2PX -0.02407 -0.04180 0.01402 -0.01617 0.01638 168 2PY -0.15066 0.06798 0.04706 -0.03334 0.00938 169 2PZ -0.06013 -0.06608 0.05027 -0.01452 0.03276 170 3S 2.10308 0.66189 -0.72033 -0.06101 -0.06800 171 3PX -0.35442 -0.07480 0.05633 0.05801 -0.03108 172 3PY 0.31942 -0.21142 0.03092 0.07334 0.11128 173 3PZ -1.28217 -0.29753 0.42542 0.10165 -0.06026 174 4XX -0.07303 -0.09561 -0.00573 -0.04297 -0.03553 175 4YY -0.30237 -0.22516 0.09998 -0.03818 -0.00839 176 4ZZ 0.38341 0.33351 -0.09791 0.09781 0.00811 177 4XY -0.07720 -0.01286 0.02569 0.07792 0.01060 178 4XZ 0.08397 0.23614 0.01694 0.06596 -0.01498 179 4YZ 0.10667 -0.14878 -0.10543 -0.00935 -0.06521 180 19 H 1S -0.00406 -0.20037 -0.02798 -0.04307 -0.00577 181 2S 0.26724 0.08370 -0.02507 0.00729 0.07177 182 20 C 1S -0.07449 0.01333 0.03644 0.01587 0.01654 183 2S -0.24338 -0.00593 0.36987 0.30858 0.06668 184 2PX -0.03198 -0.05493 0.00004 -0.01076 -0.08087 185 2PY -0.10591 -0.01050 -0.02469 -0.06025 -0.05450 186 2PZ 0.11159 -0.13805 -0.04341 0.06168 0.01305 187 3S 2.60001 -0.39098 -1.42209 -0.68263 -0.29401 188 3PX -0.04358 -0.16923 -0.25221 -0.25589 -0.21367 189 3PY -1.30965 -0.00673 0.66782 0.44108 0.28735 190 3PZ 0.37791 -0.48335 -0.14703 -0.07454 -0.16009 191 4XX -0.22730 0.27149 -0.00497 -0.09082 -0.07968 192 4YY 0.21168 -0.33330 -0.03144 -0.01641 0.13321 193 4ZZ 0.01713 0.06979 -0.03341 0.05701 -0.00015 194 4XY 0.19511 0.20486 0.00381 0.07474 0.11111 195 4XZ 0.28299 0.18275 -0.06595 0.05620 0.05755 196 4YZ 0.07489 0.54499 -0.02152 -0.06192 0.02261 197 21 H 1S -0.06398 0.31851 0.02097 0.00086 -0.07033 198 2S 0.37057 -0.16868 -0.18805 -0.14780 -0.08070 199 22 C 1S 0.01798 -0.02359 -0.00062 0.00860 0.00846 200 2S 0.29764 0.02446 -0.03627 0.09089 0.03311 201 2PX 0.02407 -0.04181 -0.01402 0.01617 -0.01638 202 2PY -0.15066 -0.06798 0.04706 -0.03334 0.00938 203 2PZ 0.06013 -0.06608 -0.05027 0.01452 -0.03275 204 3S -2.10308 0.66197 0.72033 0.06101 0.06799 205 3PX 0.35442 -0.07482 -0.05633 -0.05800 0.03108 206 3PY 0.31944 0.21141 0.03091 0.07334 0.11128 207 3PZ 1.28218 -0.29757 -0.42542 -0.10164 0.06027 208 4XX 0.07303 -0.09561 0.00573 0.04297 0.03553 209 4YY 0.30237 -0.22516 -0.09998 0.03818 0.00839 210 4ZZ -0.38340 0.33351 0.09790 -0.09781 -0.00811 211 4XY -0.07720 0.01286 0.02569 0.07793 0.01060 212 4XZ -0.08397 0.23614 -0.01694 -0.06596 0.01498 213 4YZ 0.10667 0.14876 -0.10543 -0.00935 -0.06521 214 23 H 1S 0.00405 -0.20036 0.02798 0.04307 0.00578 215 2S -0.26724 0.08370 0.02507 -0.00729 -0.07177 196 197 198 199 200 V V V V V Eigenvalues -- 2.91143 2.95541 2.96966 2.97906 3.01621 1 1 C 1S 0.02568 -0.01679 0.01322 -0.01785 0.06288 2 2S 0.15000 -0.23212 -0.10969 0.27531 0.41618 3 2PX -0.01471 0.01716 -0.09776 0.06086 -0.05219 4 2PY 0.01165 -0.01099 -0.00101 -0.00495 0.02005 5 2PZ -0.00560 -0.01522 -0.08803 0.08353 0.01365 6 3S -1.01823 1.08826 0.00701 -0.06460 -3.63800 7 3PX -0.15003 0.10201 -0.08694 0.12967 -1.12050 8 3PY -0.16684 -0.06102 0.00063 0.14844 0.97829 9 3PZ -0.25766 0.43760 -0.10637 0.00795 -1.32116 10 4XX -0.01504 0.02827 -0.08497 0.04801 0.03471 11 4YY -0.04616 0.01315 0.10753 -0.17944 -0.16578 12 4ZZ 0.07278 0.01961 -0.05015 0.03115 0.10452 13 4XY -0.10612 0.04413 -0.08292 0.08805 -0.06304 14 4XZ -0.06121 0.02729 -0.15766 0.17551 -0.22966 15 4YZ -0.02646 0.00445 -0.09581 0.08276 -0.06017 16 2 C 1S -0.02568 0.01679 0.01322 -0.01785 -0.06288 17 2S -0.15000 0.23212 -0.10969 0.27530 -0.41619 18 2PX 0.01471 -0.01716 -0.09776 0.06086 0.05218 19 2PY 0.01165 -0.01099 0.00101 0.00495 0.02006 20 2PZ 0.00560 0.01522 -0.08803 0.08352 -0.01365 21 3S 1.01823 -1.08825 0.00699 -0.06456 3.63800 22 3PX 0.15003 -0.10201 -0.08694 0.12968 1.12049 23 3PY -0.16684 -0.06103 -0.00065 -0.14842 0.97830 24 3PZ 0.25766 -0.43760 -0.10637 0.00796 1.32116 25 4XX 0.01504 -0.02827 -0.08497 0.04801 -0.03470 26 4YY 0.04616 -0.01315 0.10752 -0.17944 0.16579 27 4ZZ -0.07278 -0.01961 -0.05015 0.03115 -0.10452 28 4XY -0.10612 0.04413 0.08291 -0.08804 -0.06304 29 4XZ 0.06122 -0.02729 -0.15766 0.17551 0.22966 30 4YZ -0.02646 0.00445 0.09580 -0.08276 -0.06016 31 3 C 1S 0.00334 -0.00622 -0.01038 -0.00301 0.04055 32 2S -0.13062 -0.07872 -0.48553 -0.69403 -0.60907 33 2PX 0.00079 -0.02299 -0.14272 -0.05319 -0.09405 34 2PY 0.10192 -0.00648 0.52641 0.70000 0.74562 35 2PZ 0.03453 -0.03043 -0.01009 0.11091 0.08560 36 3S -0.37464 0.47457 -0.76206 -1.19422 -4.28883 37 3PX 0.55184 -0.30227 0.02619 -0.13906 0.23899 38 3PY 0.21022 0.26156 0.55703 0.63806 -0.84083 39 3PZ 0.53277 -0.13857 0.08824 -0.00038 0.02315 40 4XX 0.01536 0.01661 0.26335 0.17351 0.26601 41 4YY -0.03604 0.02271 -0.38461 -0.45279 -0.51069 42 4ZZ 0.03359 -0.00573 0.08673 0.29922 0.30138 43 4XY 0.05599 -0.01694 -0.41843 0.45928 0.19624 44 4XZ -0.04532 0.03421 0.01175 -0.05274 -0.21288 45 4YZ 0.02244 0.00484 -0.54299 0.29933 -0.09821 46 4 C 1S 0.00802 0.00017 -0.00851 0.00652 -0.05062 47 2S 0.07617 -0.07696 0.14034 -0.08407 -0.30554 48 2PX 0.00141 0.02252 -0.08721 0.06650 0.01444 49 2PY -0.02008 0.03981 0.01528 0.00106 0.03657 50 2PZ -0.00331 0.01307 -0.09486 0.07311 -0.01216 51 3S -0.56602 0.05854 -0.00495 0.12012 3.34503 52 3PX 0.20475 -0.03179 -0.03030 0.03336 -1.09858 53 3PY 0.16300 -0.07527 -0.17858 -0.07517 1.08814 54 3PZ 0.29150 -0.02644 -0.03393 0.02268 -1.17706 55 4XX 0.01850 -0.00785 0.09883 -0.02988 -0.08397 56 4YY -0.03603 0.06972 -0.17051 0.05948 0.13785 57 4ZZ -0.00334 -0.00099 0.13017 -0.05094 -0.04831 58 4XY 0.00074 -0.02363 0.09514 -0.05071 0.04298 59 4XZ -0.03710 0.00761 0.18127 -0.08847 0.17304 60 4YZ -0.01737 0.01703 0.09100 -0.05632 0.01319 61 5 C 1S -0.00802 -0.00017 -0.00851 0.00653 0.05062 62 2S -0.07617 0.07697 0.14034 -0.08407 0.30555 63 2PX -0.00141 -0.02253 -0.08721 0.06650 -0.01444 64 2PY -0.02008 0.03981 -0.01528 -0.00106 0.03657 65 2PZ 0.00331 -0.01307 -0.09486 0.07311 0.01216 66 3S 0.56602 -0.05854 -0.00491 0.12009 -3.34504 67 3PX -0.20475 0.03180 -0.03031 0.03336 1.09857 68 3PY 0.16299 -0.07527 0.17857 0.07519 1.08815 69 3PZ -0.29150 0.02644 -0.03395 0.02269 1.17706 70 4XX -0.01850 0.00785 0.09883 -0.02988 0.08397 71 4YY 0.03603 -0.06972 -0.17051 0.05948 -0.13785 72 4ZZ 0.00334 0.00099 0.13016 -0.05094 0.04831 73 4XY 0.00074 -0.02363 -0.09514 0.05071 0.04298 74 4XZ 0.03710 -0.00761 0.18127 -0.08847 -0.17304 75 4YZ -0.01737 0.01703 -0.09100 0.05632 0.01319 76 6 C 1S -0.00334 0.00622 -0.01038 -0.00301 -0.04055 77 2S 0.13064 0.07872 -0.48553 -0.69403 0.60906 78 2PX -0.00079 0.02299 -0.14272 -0.05318 0.09404 79 2PY 0.10193 -0.00649 -0.52641 -0.69999 0.74562 80 2PZ -0.03453 0.03043 -0.01010 0.11091 -0.08560 81 3S 0.37465 -0.47458 -0.76209 -1.19419 4.28884 82 3PX -0.55184 0.30227 0.02619 -0.13905 -0.23897 83 3PY 0.21022 0.26156 -0.55702 -0.63808 -0.84084 84 3PZ -0.53277 0.13857 0.08823 -0.00038 -0.02314 85 4XX -0.01536 -0.01661 0.26334 0.17352 -0.26602 86 4YY 0.03604 -0.02271 -0.38460 -0.45280 0.51070 87 4ZZ -0.03359 0.00574 0.08673 0.29922 -0.30138 88 4XY 0.05598 -0.01694 0.41844 -0.45927 0.19624 89 4XZ 0.04531 -0.03421 0.01174 -0.05274 0.21288 90 4YZ 0.02244 0.00484 0.54300 -0.29933 -0.09821 91 7 H 1S 0.03378 -0.03054 -0.01534 0.00493 -0.03944 92 2S -0.01213 0.06920 -0.05636 0.04962 -0.38768 93 8 H 1S -0.03378 0.03053 -0.01534 0.00493 0.03944 94 2S 0.01213 -0.06920 -0.05636 0.04962 0.38768 95 9 H 1S 0.01378 -0.01459 -0.02522 -0.01481 0.02904 96 2S -0.03990 0.00880 0.03779 -0.03511 0.45838 97 10 H 1S -0.01378 0.01459 -0.02522 -0.01481 -0.02904 98 2S 0.03990 -0.00880 0.03780 -0.03511 -0.45838 99 11 O 1S -0.00647 0.00183 -0.00477 -0.00772 -0.01426 100 2S -0.12268 -0.02134 -0.36320 -0.47270 -0.53507 101 2PX 0.00695 -0.01040 -0.02799 -0.01349 -0.00971 102 2PY 0.01185 -0.00614 0.12504 0.17818 0.18043 103 2PZ 0.01707 0.00114 -0.00162 0.02928 0.01398 104 3S 0.47136 0.06197 1.32809 1.76334 1.82946 105 3PX -0.13231 0.06405 -0.29234 -0.02312 -0.20882 106 3PY 0.22690 0.00114 0.76539 1.04596 1.27667 107 3PZ -0.08790 0.02175 -0.09682 0.22048 0.11139 108 4XX -0.07063 0.00806 -0.12685 -0.33400 -0.35268 109 4YY 0.13268 -0.00322 0.60846 0.87189 0.98310 110 4ZZ -0.06480 0.01017 -0.26564 -0.25300 -0.36160 111 4XY -0.06344 0.02361 -0.46775 0.04269 -0.20715 112 4XZ 0.00423 0.00331 -0.00728 -0.03542 -0.00011 113 4YZ -0.01518 0.00900 -0.23369 0.36776 0.14883 114 12 O 1S 0.00647 -0.00183 -0.00477 -0.00772 0.01426 115 2S 0.12269 0.02134 -0.36321 -0.47270 0.53507 116 2PX -0.00695 0.01040 -0.02799 -0.01349 0.00971 117 2PY 0.01185 -0.00615 -0.12504 -0.17818 0.18043 118 2PZ -0.01707 -0.00114 -0.00162 0.02928 -0.01399 119 3S -0.47138 -0.06196 1.32810 1.76333 -1.82946 120 3PX 0.13231 -0.06405 -0.29233 -0.02311 0.20880 121 3PY 0.22691 0.00114 -0.76540 -1.04595 1.27667 122 3PZ 0.08790 -0.02175 -0.09682 0.22048 -0.11139 123 4XX 0.07063 -0.00806 -0.12686 -0.33399 0.35268 124 4YY -0.13269 0.00323 0.60847 0.87188 -0.98310 125 4ZZ 0.06481 -0.01018 -0.26565 -0.25299 0.36160 126 4XY -0.06344 0.02361 0.46774 -0.04271 -0.20713 127 4XZ -0.00423 -0.00331 -0.00729 -0.03542 0.00011 128 4YZ -0.01518 0.00900 0.23369 -0.36776 0.14884 129 13 C 1S 0.00000 0.00000 -0.00044 -0.00363 0.00000 130 2S 0.00000 -0.00001 0.02551 -0.08936 0.00000 131 2PX 0.00000 0.00000 0.01744 -0.02029 0.00000 132 2PY -0.28620 -0.04683 0.00000 0.00000 0.03602 133 2PZ 0.00000 0.00000 0.00004 -0.01061 0.00000 134 3S -0.00001 0.00000 0.06211 0.07973 0.00001 135 3PX 0.00000 0.00000 -0.06574 0.06516 0.00000 136 3PY -0.96663 0.02908 -0.00001 0.00000 0.13547 137 3PZ 0.00000 0.00000 0.06855 0.03840 0.00001 138 4XX 0.00000 0.00000 0.00076 0.02004 0.00000 139 4YY 0.00000 -0.00001 -0.00047 0.01061 0.00000 140 4ZZ 0.00000 0.00001 -0.01261 -0.00167 0.00000 141 4XY -0.43750 -0.14164 0.00000 0.00000 0.06723 142 4XZ 0.00000 0.00000 0.00526 -0.00152 0.00000 143 4YZ -0.42022 0.02651 0.00000 0.00000 0.05561 144 14 H 1S 0.00000 0.00000 0.01826 -0.00058 0.00000 145 2S 0.00000 0.00000 0.00340 0.02084 0.00000 146 15 H 1S 0.00000 0.00000 -0.01611 -0.01380 0.00000 147 2S 0.00000 0.00000 -0.03144 0.03776 0.00000 148 16 C 1S 0.00975 -0.00632 -0.00046 -0.00007 0.01156 149 2S 0.22185 -0.35137 -0.01029 -0.11046 -0.10547 150 2PX 0.11641 -0.03333 -0.00723 -0.01627 -0.06529 151 2PY 0.02482 -0.03897 0.00914 -0.01793 0.01019 152 2PZ 0.31904 -0.08807 -0.00421 0.00380 -0.01749 153 3S -0.13620 0.78867 -0.00352 0.12040 -0.08464 154 3PX 0.42540 0.18307 0.05073 0.09731 -0.06605 155 3PY -0.58107 0.45791 -0.07020 0.07236 -0.11613 156 3PZ 0.93062 0.12403 -0.01566 0.02083 -0.25733 157 4XX -0.10256 0.02239 0.01315 0.03950 0.01527 158 4YY -0.26750 0.39109 0.00345 0.00282 0.09655 159 4ZZ 0.40937 -0.32499 -0.01697 0.01206 -0.01880 160 4XY 0.28823 0.12165 -0.00080 0.00573 -0.07821 161 4XZ 0.04164 -0.10539 0.00261 -0.00837 0.00073 162 4YZ 0.49098 0.32638 0.00787 0.00240 -0.04432 163 17 H 1S -0.04026 -0.23214 -0.01447 -0.00315 -0.04584 164 2S -0.06226 0.23098 -0.02386 0.03831 -0.05676 165 18 C 1S -0.00067 0.00259 -0.00076 0.00294 0.00953 166 2S -0.01549 0.18537 -0.01088 0.00807 0.01865 167 2PX 0.05361 0.00919 -0.00756 -0.00742 -0.01917 168 2PY 0.40005 0.04875 0.00652 0.02076 -0.06662 169 2PZ 0.23863 0.01329 -0.00206 0.00543 -0.02696 170 3S 0.42983 -0.83662 0.03766 -0.06562 -0.24763 171 3PX 0.09995 0.01315 -0.00104 0.01524 -0.03785 172 3PY 1.16476 -0.25394 -0.01157 -0.05968 -0.37046 173 3PZ 0.61367 0.35641 -0.01639 0.06578 -0.10550 174 4XX -0.03583 -0.00833 0.00136 0.01787 0.04055 175 4YY 0.71107 0.20260 -0.00562 -0.00662 -0.12650 176 4ZZ -0.63230 -0.21192 0.01078 0.00346 0.10385 177 4XY -0.10819 0.24379 -0.00226 -0.00226 -0.02069 178 4XZ -0.16520 -0.08662 0.00820 0.00752 0.03288 179 4YZ -0.26124 0.81281 -0.00042 0.00642 0.06181 180 19 H 1S -0.01969 0.39590 -0.01034 -0.01596 -0.00267 181 2S 0.04442 -0.26191 0.00466 -0.01921 -0.01679 182 20 C 1S -0.00975 0.00632 -0.00046 -0.00007 -0.01156 183 2S -0.22185 0.35137 -0.01030 -0.11046 0.10547 184 2PX -0.11641 0.03333 -0.00723 -0.01627 0.06529 185 2PY 0.02482 -0.03897 -0.00914 0.01793 0.01019 186 2PZ -0.31904 0.08807 -0.00421 0.00380 0.01749 187 3S 0.13620 -0.78869 -0.00351 0.12042 0.08463 188 3PX -0.42541 -0.18308 0.05073 0.09731 0.06605 189 3PY -0.58108 0.45791 0.07020 -0.07238 -0.11611 190 3PZ -0.93062 -0.12403 -0.01567 0.02083 0.25733 191 4XX 0.10256 -0.02239 0.01315 0.03950 -0.01527 192 4YY 0.26750 -0.39109 0.00346 0.00282 -0.09655 193 4ZZ -0.40938 0.32499 -0.01698 0.01206 0.01880 194 4XY 0.28823 0.12166 0.00080 -0.00573 -0.07821 195 4XZ -0.04165 0.10540 0.00260 -0.00837 -0.00073 196 4YZ 0.49098 0.32639 -0.00787 -0.00240 -0.04432 197 21 H 1S 0.04026 0.23215 -0.01447 -0.00315 0.04583 198 2S 0.06226 -0.23098 -0.02385 0.03831 0.05675 199 22 C 1S 0.00067 -0.00259 -0.00076 0.00294 -0.00953 200 2S 0.01550 -0.18537 -0.01088 0.00807 -0.01865 201 2PX -0.05361 -0.00919 -0.00756 -0.00742 0.01917 202 2PY 0.40005 0.04875 -0.00652 -0.02076 -0.06662 203 2PZ -0.23864 -0.01329 -0.00206 0.00543 0.02696 204 3S -0.42983 0.83663 0.03764 -0.06564 0.24763 205 3PX -0.09995 -0.01315 -0.00104 0.01524 0.03785 206 3PY 1.16476 -0.25394 0.01159 0.05969 -0.37046 207 3PZ -0.61367 -0.35641 -0.01639 0.06579 0.10550 208 4XX 0.03583 0.00833 0.00136 0.01787 -0.04055 209 4YY -0.71108 -0.20260 -0.00563 -0.00662 0.12650 210 4ZZ 0.63231 0.21192 0.01079 0.00346 -0.10385 211 4XY -0.10820 0.24379 0.00226 0.00226 -0.02069 212 4XZ 0.16520 0.08663 0.00820 0.00752 -0.03288 213 4YZ -0.26124 0.81282 0.00041 -0.00642 0.06181 214 23 H 1S 0.01969 -0.39590 -0.01034 -0.01596 0.00267 215 2S -0.04442 0.26191 0.00466 -0.01921 0.01679 201 202 203 204 205 V V V V V Eigenvalues -- 3.18202 3.25400 3.99318 4.03186 4.08890 1 1 C 1S 0.01458 0.06011 0.03709 0.04317 -0.12878 2 2S 0.21115 0.09397 -0.11879 0.09085 0.96152 3 2PX 0.09451 -0.06000 -0.04499 -0.07724 0.01405 4 2PY 0.28127 0.10235 -0.01392 -0.01479 -0.06828 5 2PZ 0.10440 -0.01009 -0.01961 0.00069 0.02493 6 3S -1.56540 -2.54421 -0.26115 -1.74475 0.14666 7 3PX 0.11880 -0.44175 -0.14362 -0.42209 -0.31301 8 3PY 1.06746 0.88962 0.13378 0.73975 0.33033 9 3PZ -0.06781 -0.70561 -0.20120 -0.76078 -0.38249 10 4XX 0.25339 0.16202 0.06722 0.03195 -0.52159 11 4YY -0.54800 -0.39554 0.11011 0.05179 -0.49152 12 4ZZ 0.19902 0.30317 0.09477 0.06374 -0.53601 13 4XY 0.12596 -0.35106 -0.00934 -0.06407 0.02486 14 4XZ 0.21285 -0.02170 -0.09122 -0.13861 -0.07393 15 4YZ 0.16366 -0.30526 -0.03123 -0.03244 -0.00077 16 2 C 1S -0.01458 -0.06011 0.03710 -0.04317 -0.12878 17 2S -0.21115 -0.09397 -0.11879 -0.09088 0.96151 18 2PX -0.09451 0.06000 -0.04499 0.07724 0.01405 19 2PY 0.28127 0.10235 0.01392 -0.01479 0.06828 20 2PZ -0.10440 0.01009 -0.01961 -0.00069 0.02493 21 3S 1.56541 2.54421 -0.26126 1.74474 0.14674 22 3PX -0.11881 0.44174 -0.14364 0.42208 -0.31298 23 3PY 1.06746 0.88962 -0.13382 0.73975 -0.33030 24 3PZ 0.06781 0.70560 -0.20124 0.76077 -0.38246 25 4XX -0.25339 -0.16201 0.06723 -0.03193 -0.52159 26 4YY 0.54800 0.39554 0.11013 -0.05178 -0.49152 27 4ZZ -0.19902 -0.30317 0.09478 -0.06372 -0.53601 28 4XY 0.12596 -0.35106 0.00934 -0.06406 -0.02486 29 4XZ -0.21285 0.02170 -0.09123 0.13860 -0.07392 30 4YZ 0.16366 -0.30526 0.03123 -0.03243 0.00077 31 3 C 1S 0.00066 0.05017 0.14170 -0.16364 -0.07265 32 2S 0.03519 0.17471 -1.15014 1.42488 0.14734 33 2PX -0.09130 0.02474 -0.02710 0.03060 -0.01553 34 2PY 0.01784 -0.25335 -0.06515 0.06597 0.09394 35 2PZ -0.08350 -0.03817 -0.01623 0.01979 0.01805 36 3S -0.31515 -1.90826 -1.22035 0.25137 -1.10355 37 3PX -0.04091 0.04855 -0.18393 0.21447 -0.23574 38 3PY -0.14478 -1.12068 1.35795 -1.95017 1.78149 39 3PZ -0.11145 -0.21986 0.02654 -0.17155 0.09710 40 4XX 0.10005 -0.22298 0.61923 -0.77270 -0.10778 41 4YY -0.05357 0.53941 0.71921 -0.88453 -0.20992 42 4ZZ -0.07992 -0.22351 0.59649 -0.72500 -0.11170 43 4XY -0.52595 -0.04476 -0.04868 0.06933 -0.00021 44 4XZ 0.01224 -0.44930 -0.03276 -0.01657 0.05365 45 4YZ -0.55630 0.00420 -0.01390 0.00153 0.00062 46 4 C 1S -0.00267 -0.06137 0.14058 -0.13649 -0.16052 47 2S 0.01212 0.07263 -0.84229 0.57703 1.24622 48 2PX -0.08634 -0.00500 0.01049 -0.01422 -0.01204 49 2PY -0.34565 0.16204 -0.00449 -0.10769 0.09943 50 2PZ -0.09936 -0.02683 0.00863 -0.01945 -0.01246 51 3S -0.80402 2.54377 -0.28167 2.18394 0.30111 52 3PX -0.18023 -0.70102 0.17407 -0.61934 0.29349 53 3PY -0.83424 0.72543 -0.26691 0.84859 -0.41936 54 3PZ -0.23252 -0.74058 0.18225 -0.61780 0.29073 55 4XX 0.19414 -0.30418 0.51108 -0.43730 -0.65697 56 4YY -0.55187 0.39918 0.49243 -0.53316 -0.65245 57 4ZZ 0.25553 -0.24438 0.49698 -0.41594 -0.65773 58 4XY 0.16473 0.36609 -0.01127 0.02406 0.01295 59 4XZ 0.23718 0.00108 -0.06949 0.10714 -0.06384 60 4YZ 0.14911 0.46058 -0.01546 0.04978 0.01698 61 5 C 1S 0.00267 0.06137 0.14057 0.13651 -0.16051 62 2S -0.01212 -0.07263 -0.84224 -0.57712 1.24621 63 2PX 0.08635 0.00500 0.01049 0.01422 -0.01204 64 2PY -0.34565 0.16204 0.00450 -0.10769 -0.09943 65 2PZ 0.09936 0.02683 0.00862 0.01945 -0.01246 66 3S 0.80402 -2.54377 -0.28153 -2.18397 0.30105 67 3PX 0.18024 0.70102 0.17403 0.61934 0.29350 68 3PY -0.83424 0.72544 0.26686 0.84861 0.41939 69 3PZ 0.23252 0.74059 0.18221 0.61781 0.29074 70 4XX -0.19414 0.30417 0.51105 0.43735 -0.65696 71 4YY 0.55187 -0.39917 0.49239 0.53321 -0.65244 72 4ZZ -0.25553 0.24438 0.49695 0.41599 -0.65772 73 4XY 0.16472 0.36610 0.01126 0.02406 -0.01295 74 4XZ -0.23718 -0.00108 -0.06948 -0.10714 -0.06384 75 4YZ 0.14911 0.46058 0.01545 0.04978 -0.01698 76 6 C 1S -0.00066 -0.05017 0.14169 0.16365 -0.07264 77 2S -0.03519 -0.17471 -1.15003 -1.42497 0.14731 78 2PX 0.09129 -0.02474 -0.02710 -0.03060 -0.01553 79 2PY 0.01784 -0.25335 0.06514 0.06598 -0.09394 80 2PZ 0.08351 0.03817 -0.01623 -0.01979 0.01805 81 3S 0.31514 1.90826 -1.22031 -0.25145 -1.10353 82 3PX 0.04091 -0.04853 -0.18389 -0.21445 -0.23573 83 3PY -0.14478 -1.12069 -1.35782 -1.95025 -1.78154 84 3PZ 0.11145 0.21987 0.02652 0.17155 0.09710 85 4XX -0.10003 0.22298 0.61917 0.77275 -0.10776 86 4YY 0.05355 -0.53941 0.71915 0.88459 -0.20990 87 4ZZ 0.07992 0.22351 0.59644 0.72505 -0.11168 88 4XY -0.52595 -0.04475 0.04867 0.06934 0.00021 89 4XZ -0.01223 0.44930 -0.03276 0.01656 0.05365 90 4YZ -0.55630 0.00421 0.01390 0.00154 -0.00061 91 7 H 1S 0.02227 -0.18488 -0.01873 -0.04037 0.01854 92 2S -0.06467 -0.07466 -0.06148 -0.23341 -0.33906 93 8 H 1S -0.02227 0.18487 -0.01873 0.04037 0.01854 94 2S 0.06467 0.07466 -0.06149 0.23341 -0.33905 95 9 H 1S 0.00715 0.24930 -0.07866 0.07976 0.04559 96 2S -0.01104 0.11179 -0.05466 0.19016 -0.38367 97 10 H 1S -0.00715 -0.24930 -0.07866 -0.07977 0.04559 98 2S 0.01104 -0.11179 -0.05465 -0.19016 -0.38368 99 11 O 1S 0.00025 -0.01563 -0.24875 0.24654 -0.27764 100 2S -0.01225 -0.11218 -0.31582 0.32532 -0.32039 101 2PX -0.00169 0.03432 0.02624 -0.02631 0.01143 102 2PY 0.00068 -0.22010 -0.19706 0.21137 -0.08384 103 2PZ -0.00356 -0.02531 -0.01944 0.01807 -0.00751 104 3S 0.01618 -0.10187 3.39487 -3.46624 3.99251 105 3PX -0.23051 0.02081 -0.10438 0.10186 -0.14072 106 3PY 0.02774 -0.03367 0.70900 -0.64965 0.95781 107 3PZ -0.21935 0.02481 0.08139 -0.05650 0.09243 108 4XX 0.07781 -0.03511 -0.84449 0.82277 -0.95288 109 4YY 0.00231 -0.27042 -0.77924 0.81806 -0.71736 110 4ZZ -0.06978 -0.01619 -0.84421 0.82858 -0.95358 111 4XY -0.34306 0.05249 -0.02020 0.01506 -0.04624 112 4XZ 0.01625 0.08371 -0.00927 0.01714 -0.03739 113 4YZ -0.34643 -0.00799 0.00968 0.00139 0.02055 114 12 O 1S -0.00025 0.01563 -0.24873 -0.24655 -0.27764 115 2S 0.01225 0.11218 -0.31579 -0.32534 -0.32040 116 2PX 0.00169 -0.03432 0.02623 0.02631 0.01143 117 2PY 0.00068 -0.22011 0.19704 0.21138 0.08384 118 2PZ 0.00356 0.02531 -0.01943 -0.01807 -0.00751 119 3S -0.01617 0.10187 3.39460 3.46643 3.99256 120 3PX 0.23051 -0.02081 -0.10436 -0.10185 -0.14071 121 3PY 0.02774 -0.03368 -0.70895 -0.64969 -0.95782 122 3PZ 0.21935 -0.02481 0.08138 0.05650 0.09243 123 4XX -0.07781 0.03511 -0.84442 -0.82281 -0.95289 124 4YY -0.00231 0.27042 -0.77918 -0.81810 -0.71737 125 4ZZ 0.06978 0.01619 -0.84414 -0.82863 -0.95359 126 4XY -0.34306 0.05249 0.02020 0.01506 0.04624 127 4XZ -0.01625 -0.08371 -0.00927 -0.01714 -0.03739 128 4YZ -0.34643 -0.00799 -0.00968 0.00139 -0.02055 129 13 C 1S 0.00000 0.00000 -0.01457 0.00000 0.07360 130 2S 0.00000 0.00000 0.00298 0.00000 -0.29191 131 2PX 0.00000 0.00000 0.01115 0.00000 0.01788 132 2PY -0.02106 0.00551 0.00000 -0.01717 0.00000 133 2PZ 0.00000 0.00000 -0.02239 0.00000 -0.01912 134 3S 0.00000 0.00000 0.40108 0.00002 -0.46638 135 3PX 0.00000 0.00000 -0.03154 0.00000 -0.22643 136 3PY 0.01239 0.06937 -0.00001 0.13171 0.00000 137 3PZ 0.00000 0.00000 0.23239 0.00001 -0.01304 138 4XX 0.00000 0.00000 -0.01913 0.00000 0.23971 139 4YY 0.00000 0.00000 -0.06544 -0.00001 0.23597 140 4ZZ 0.00000 0.00000 -0.03807 0.00000 0.22471 141 4XY 0.02140 0.03734 0.00000 -0.02147 0.00000 142 4XZ 0.00000 0.00000 -0.00858 0.00000 -0.03581 143 4YZ 0.00294 0.01555 0.00000 -0.02734 0.00000 144 14 H 1S 0.00000 0.00000 0.01850 0.00000 0.01239 145 2S 0.00000 0.00000 0.03555 0.00000 0.05904 146 15 H 1S 0.00000 0.00000 -0.06305 0.00000 -0.03609 147 2S 0.00000 0.00000 -0.03061 0.00000 -0.00764 148 16 C 1S 0.00563 0.01334 0.04479 -0.08287 0.05872 149 2S 0.03424 -0.02261 -0.31526 0.56146 -0.41424 150 2PX -0.01596 -0.03210 -0.03072 0.01285 -0.00756 151 2PY 0.01900 0.00914 -0.00300 -0.00875 0.01945 152 2PZ 0.00168 0.00731 -0.06466 0.06439 0.04780 153 3S -0.16943 -0.27166 -0.17503 0.25614 -0.06862 154 3PX -0.02367 -0.08892 0.12236 -0.09631 0.04073 155 3PY -0.22676 -0.15977 -0.12343 0.14378 0.12466 156 3PZ -0.02770 -0.18622 -0.00012 -0.08815 0.01404 157 4XX 0.00388 0.00969 0.19024 -0.37020 0.21964 158 4YY 0.01401 0.05253 0.18605 -0.30088 0.24907 159 4ZZ -0.00550 0.01811 0.09390 -0.28284 0.28507 160 4XY -0.02579 -0.03689 0.00810 0.00226 0.02455 161 4XZ 0.01553 0.00915 -0.02549 0.02666 0.03642 162 4YZ 0.01952 -0.01389 -0.03010 0.01496 0.04095 163 17 H 1S -0.02836 -0.01909 -0.03670 0.04255 -0.02745 164 2S -0.06045 -0.05694 0.00691 -0.02594 0.10735 165 18 C 1S -0.00028 0.00213 0.14897 -0.09831 -0.07409 166 2S -0.01356 -0.00673 -1.04686 0.78184 0.49575 167 2PX -0.00118 -0.00200 -0.03722 0.02858 0.01170 168 2PY 0.00721 -0.01026 -0.02909 -0.09658 0.05668 169 2PZ -0.00282 -0.00637 -0.01537 -0.02042 0.05742 170 3S 0.25209 0.15532 -0.23740 0.06538 0.18063 171 3PX -0.02751 -0.05665 0.03584 -0.09063 -0.00849 172 3PY 0.13712 -0.08527 -0.01770 -0.11565 -0.06934 173 3PZ -0.06778 -0.16486 -0.03025 0.11018 0.02329 174 4XX 0.00134 0.00772 0.58384 -0.38440 -0.28610 175 4YY 0.02589 -0.02074 0.53969 -0.51593 -0.27446 176 4ZZ -0.01177 0.02740 0.63009 -0.41912 -0.34924 177 4XY 0.00033 -0.01395 -0.00352 -0.01337 -0.00837 178 4XZ 0.00299 0.00989 0.01551 -0.00427 -0.00276 179 4YZ 0.00799 0.01805 -0.00242 0.03444 -0.02504 180 19 H 1S 0.01019 0.00375 -0.10311 0.08279 0.01602 181 2S 0.02536 0.02258 0.12710 -0.14410 -0.06647 182 20 C 1S -0.00563 -0.01334 0.04478 0.08287 0.05872 183 2S -0.03424 0.02261 -0.31522 -0.56147 -0.41425 184 2PX 0.01596 0.03210 -0.03072 -0.01285 -0.00756 185 2PY 0.01900 0.00914 0.00300 -0.00875 -0.01945 186 2PZ -0.00169 -0.00731 -0.06466 -0.06440 0.04780 187 3S 0.16943 0.27165 -0.17502 -0.25616 -0.06862 188 3PX 0.02367 0.08892 0.12235 0.09632 0.04073 189 3PY -0.22676 -0.15976 0.12342 0.14380 -0.12467 190 3PZ 0.02770 0.18622 -0.00013 0.08814 0.01404 191 4XX -0.00388 -0.00969 0.19021 0.37021 0.21965 192 4YY -0.01401 -0.05253 0.18603 0.30089 0.24908 193 4ZZ 0.00550 -0.01811 0.09388 0.28284 0.28508 194 4XY -0.02579 -0.03689 -0.00809 0.00226 -0.02455 195 4XZ -0.01553 -0.00915 -0.02549 -0.02666 0.03642 196 4YZ 0.01952 -0.01389 0.03010 0.01497 -0.04095 197 21 H 1S 0.02836 0.01909 -0.03670 -0.04255 -0.02745 198 2S 0.06045 0.05694 0.00691 0.02593 0.10736 199 22 C 1S 0.00028 -0.00213 0.14897 0.09832 -0.07408 200 2S 0.01356 0.00673 -1.04681 -0.78192 0.49574 201 2PX 0.00118 0.00200 -0.03722 -0.02859 0.01170 202 2PY 0.00721 -0.01026 0.02910 -0.09658 -0.05668 203 2PZ 0.00282 0.00637 -0.01537 0.02042 0.05742 204 3S -0.25209 -0.15532 -0.23739 -0.06539 0.18061 205 3PX 0.02751 0.05665 0.03584 0.09063 -0.00848 206 3PY 0.13712 -0.08527 0.01771 -0.11565 0.06934 207 3PZ 0.06778 0.16486 -0.03025 -0.11018 0.02329 208 4XX -0.00134 -0.00772 0.58382 0.38445 -0.28609 209 4YY -0.02589 0.02074 0.53966 0.51598 -0.27445 210 4ZZ 0.01177 -0.02740 0.63007 0.41917 -0.34923 211 4XY 0.00033 -0.01395 0.00352 -0.01337 0.00837 212 4XZ -0.00299 -0.00989 0.01551 0.00427 -0.00276 213 4YZ 0.00799 0.01805 0.00242 0.03444 0.02504 214 23 H 1S -0.01019 -0.00375 -0.10311 -0.08280 0.01602 215 2S -0.02536 -0.02258 0.12709 0.14411 -0.06647 206 207 208 209 210 V V V V V Eigenvalues -- 4.18659 4.25660 4.30665 4.35409 4.36554 1 1 C 1S 0.17925 -0.10872 0.09230 -0.14855 -0.05894 2 2S -1.06077 0.70127 -0.26006 0.94499 0.48660 3 2PX 0.00052 0.03438 -0.04944 -0.00352 -0.03867 4 2PY 0.05570 -0.02112 -0.02889 0.09782 0.08697 5 2PZ 0.02204 -0.02315 0.00805 -0.01812 0.01291 6 3S -0.66781 0.19886 -0.37282 0.40801 -1.03240 7 3PX 0.04465 0.03125 0.18863 0.18885 -0.29570 8 3PY -0.18184 0.08215 0.04536 0.50522 0.68589 9 3PZ 0.04309 0.01224 -0.08629 -0.13246 -0.62532 10 4XX 0.71187 -0.44945 0.22566 -0.61397 -0.24331 11 4YY 0.61678 -0.38611 0.25222 -0.68815 -0.35873 12 4ZZ 0.70253 -0.40290 0.29241 -0.60655 -0.25621 13 4XY 0.01666 0.02780 -0.04848 0.00582 -0.00564 14 4XZ 0.00158 0.03007 -0.00774 0.01768 -0.03808 15 4YZ 0.00580 0.04006 -0.03699 0.00901 0.02557 16 2 C 1S 0.17925 -0.10872 0.09230 0.14854 0.05894 17 2S -1.06079 0.70126 -0.26005 -0.94498 -0.48660 18 2PX 0.00052 0.03438 -0.04944 0.00352 0.03867 19 2PY -0.05570 0.02112 0.02889 0.09782 0.08697 20 2PZ 0.02203 -0.02315 0.00805 0.01812 -0.01291 21 3S -0.66779 0.19890 -0.37286 -0.40799 1.03241 22 3PX 0.04464 0.03126 0.18862 -0.18886 0.29569 23 3PY 0.18185 -0.08214 -0.04538 0.50521 0.68589 24 3PZ 0.04310 0.01226 -0.08631 0.13246 0.62532 25 4XX 0.71188 -0.44944 0.22565 0.61397 0.24331 26 4YY 0.61679 -0.38610 0.25221 0.68814 0.35873 27 4ZZ 0.70253 -0.40289 0.29241 0.60654 0.25621 28 4XY -0.01666 -0.02780 0.04848 0.00583 -0.00564 29 4XZ 0.00158 0.03007 -0.00774 -0.01768 0.03808 30 4YZ -0.00579 -0.04006 0.03699 0.00901 0.02557 31 3 C 1S 0.01091 -0.12863 0.18773 0.01380 0.07693 32 2S -0.05250 0.73207 -1.08970 -0.02171 0.08140 33 2PX 0.08107 -0.00014 0.02182 0.09143 -0.00402 34 2PY -0.00375 0.06332 -0.06029 -0.03780 -0.06820 35 2PZ 0.06016 -0.02595 0.02835 0.03067 -0.04059 36 3S 0.21601 0.15854 -0.81742 0.71326 0.99538 37 3PX -0.14075 -0.03585 -0.02146 -0.35913 0.37153 38 3PY -0.41172 0.24079 -0.08630 -1.16448 -2.37548 39 3PZ -0.12407 0.13113 -0.05066 -0.41885 -0.13921 40 4XX 0.03057 -0.46026 0.72056 -0.00052 0.06615 41 4YY 0.02661 -0.58616 0.85044 0.05671 0.20416 42 4ZZ 0.05472 -0.44559 0.73391 0.04058 0.05538 43 4XY 0.09639 0.01251 0.01513 0.06603 -0.05465 44 4XZ 0.02384 0.01400 0.04867 0.03415 -0.12411 45 4YZ 0.09437 -0.03598 0.07203 0.07235 -0.03712 46 4 C 1S -0.21641 -0.03700 -0.11797 -0.17085 0.23411 47 2S 1.29866 0.24607 0.69819 0.85999 -1.39452 48 2PX 0.05545 0.00002 0.05694 0.03618 -0.04162 49 2PY 0.05161 -0.00174 0.05548 -0.11098 0.24357 50 2PZ 0.04066 -0.03635 0.07126 0.03641 -0.04354 51 3S 0.72948 -0.02938 0.57125 1.99076 -0.19760 52 3PX -0.13891 0.04743 -0.10725 -0.40315 -0.34458 53 3PY 0.03488 -0.02128 -0.04083 0.46403 0.51826 54 3PZ -0.13650 0.07646 -0.11940 -0.46582 -0.26089 55 4XX -0.84476 -0.13481 -0.47935 -0.63265 0.90453 56 4YY -0.77367 -0.13331 -0.43802 -0.77973 1.19618 57 4ZZ -0.85056 -0.12369 -0.50517 -0.62393 0.89242 58 4XY -0.01476 0.02763 -0.04402 -0.04540 0.00927 59 4XZ 0.00008 0.00926 -0.03831 0.00123 0.04859 60 4YZ -0.01216 0.04212 -0.05423 -0.01999 0.02935 61 5 C 1S -0.21641 -0.03701 -0.11798 0.17085 -0.23411 62 2S 1.29865 0.24608 0.69820 -0.85999 1.39452 63 2PX 0.05545 0.00002 0.05694 -0.03618 0.04162 64 2PY -0.05161 0.00175 -0.05548 -0.11098 0.24357 65 2PZ 0.04066 -0.03635 0.07126 -0.03641 0.04354 66 3S 0.72946 -0.02940 0.57128 -1.99075 0.19760 67 3PX -0.13891 0.04744 -0.10727 0.40315 0.34458 68 3PY -0.03488 0.02130 0.04082 0.46404 0.51827 69 3PZ -0.13649 0.07647 -0.11941 0.46582 0.26089 70 4XX -0.84475 -0.13481 -0.47936 0.63265 -0.90452 71 4YY -0.77367 -0.13332 -0.43803 0.77973 -1.19618 72 4ZZ -0.85055 -0.12369 -0.50517 0.62393 -0.89242 73 4XY 0.01476 -0.02763 0.04402 -0.04540 0.00928 74 4XZ 0.00008 0.00926 -0.03831 -0.00123 -0.04860 75 4YZ 0.01216 -0.04212 0.05423 -0.01999 0.02935 76 6 C 1S 0.01091 -0.12863 0.18773 -0.01380 -0.07693 77 2S -0.05250 0.73207 -1.08969 0.02168 -0.08141 78 2PX 0.08107 -0.00014 0.02182 -0.09143 0.00402 79 2PY 0.00376 -0.06332 0.06029 -0.03780 -0.06820 80 2PZ 0.06016 -0.02595 0.02835 -0.03067 0.04058 81 3S 0.21601 0.15855 -0.81744 -0.71328 -0.99540 82 3PX -0.14075 -0.03585 -0.02146 0.35915 -0.37149 83 3PY 0.41169 -0.24082 0.08632 -1.16448 -2.37550 84 3PZ -0.12407 0.13113 -0.05067 0.41885 0.13921 85 4XX 0.03058 -0.46026 0.72055 0.00054 -0.06614 86 4YY 0.02661 -0.58616 0.85044 -0.05668 -0.20415 87 4ZZ 0.05472 -0.44559 0.73390 -0.04056 -0.05537 88 4XY -0.09638 -0.01251 -0.01514 0.06603 -0.05464 89 4XZ 0.02384 0.01400 0.04867 -0.03415 0.12411 90 4YZ -0.09437 0.03598 -0.07203 0.07235 -0.03712 91 7 H 1S -0.03714 0.04860 -0.03492 0.03246 -0.01013 92 2S 0.22415 -0.05868 0.10830 -0.24411 -0.29571 93 8 H 1S -0.03714 0.04860 -0.03492 -0.03246 0.01013 94 2S 0.22415 -0.05867 0.10829 0.24411 0.29570 95 9 H 1S 0.09350 0.02969 0.03115 0.06627 -0.04676 96 2S -0.09982 -0.07609 -0.04640 0.03058 0.38757 97 10 H 1S 0.09350 0.02969 0.03115 -0.06627 0.04676 98 2S -0.09982 -0.07609 -0.04639 -0.03058 -0.38757 99 11 O 1S 0.05089 -0.01583 -0.02036 0.13621 0.26960 100 2S 0.08738 -0.00077 -0.04875 0.25844 0.44399 101 2PX -0.00302 -0.01936 0.01950 -0.02036 -0.01290 102 2PY 0.02297 0.07142 -0.10841 0.05303 0.07392 103 2PZ 0.01220 0.01229 -0.00659 0.00714 0.00780 104 3S -0.80653 0.32697 0.23254 -2.27877 -4.41804 105 3PX 0.06564 0.00647 -0.00150 0.20067 0.14318 106 3PY -0.19004 0.15694 -0.05467 -0.57309 -1.09207 107 3PZ -0.02322 -0.02015 0.00006 -0.01086 -0.11194 108 4XX 0.16636 -0.06209 -0.05221 0.45364 0.92466 109 4YY 0.14149 0.06049 -0.19736 0.34193 0.65821 110 4ZZ 0.17258 -0.06647 -0.05610 0.47247 0.92413 111 4XY 0.02573 -0.00841 0.02162 0.06205 0.03397 112 4XZ 0.00414 -0.00319 -0.01426 0.01371 0.05100 113 4YZ 0.00192 -0.00074 -0.00977 -0.00031 -0.02433 114 12 O 1S 0.05089 -0.01583 -0.02036 -0.13621 -0.26960 115 2S 0.08737 -0.00077 -0.04875 -0.25844 -0.44399 116 2PX -0.00302 -0.01936 0.01950 0.02036 0.01290 117 2PY -0.02296 -0.07142 0.10841 0.05303 0.07392 118 2PZ 0.01220 0.01229 -0.00659 -0.00714 -0.00780 119 3S -0.80649 0.32702 0.23253 2.27877 4.41807 120 3PX 0.06563 0.00647 -0.00150 -0.20067 -0.14316 121 3PY 0.19003 -0.15695 0.05467 -0.57310 -1.09208 122 3PZ -0.02322 -0.02015 0.00006 0.01086 0.11194 123 4XX 0.16635 -0.06210 -0.05220 -0.45364 -0.92466 124 4YY 0.14148 0.06048 -0.19736 -0.34193 -0.65822 125 4ZZ 0.17257 -0.06648 -0.05609 -0.47247 -0.92414 126 4XY -0.02573 0.00841 -0.02162 0.06205 0.03396 127 4XZ 0.00414 -0.00319 -0.01426 -0.01371 -0.05100 128 4YZ -0.00192 0.00074 0.00977 -0.00031 -0.02433 129 13 C 1S 0.06540 -0.27619 -0.31391 0.00000 0.00000 130 2S -0.45563 1.41029 1.66277 0.00000 -0.00001 131 2PX -0.02051 -0.04248 -0.06765 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.02117 -0.01652 133 2PZ -0.00692 -0.04603 -0.03206 0.00000 0.00000 134 3S -0.03385 1.09391 1.42572 0.00000 -0.00001 135 3PX 0.10949 -0.03689 0.07953 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 -0.13142 0.16499 137 3PZ 0.03438 0.09772 -0.07810 0.00000 0.00000 138 4XX 0.28017 -1.05601 -1.17602 0.00000 0.00001 139 4YY 0.20598 -0.98917 -1.14183 0.00000 0.00001 140 4ZZ 0.27338 -0.98142 -1.19996 0.00000 0.00001 141 4XY 0.00000 0.00000 0.00000 0.05161 -0.02898 142 4XZ -0.03599 0.05746 0.00415 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.07174 -0.01953 144 14 H 1S -0.04247 0.07050 0.07092 0.00000 0.00000 145 2S 0.05421 -0.18936 -0.34987 0.00000 0.00000 146 15 H 1S -0.05261 0.07214 0.09178 0.00000 0.00000 147 2S 0.13854 -0.31683 -0.26573 0.00000 0.00000 148 16 C 1S 0.09605 -0.12496 -0.11601 0.18316 -0.06494 149 2S -0.62430 0.63253 0.40747 -0.77059 0.43409 150 2PX 0.00866 -0.04384 -0.05773 0.04055 0.00145 151 2PY -0.00782 -0.03984 0.00326 0.04592 -0.04535 152 2PZ -0.04933 -0.10532 -0.00460 -0.05621 -0.04389 153 3S -0.17502 0.79685 0.46027 -1.04448 0.32356 154 3PX 0.06556 0.08529 0.22891 -0.12952 -0.13436 155 3PY -0.04874 0.25594 0.12529 -0.41491 0.08002 156 3PZ 0.01286 0.27004 0.12919 -0.08826 -0.09641 157 4XX 0.39215 -0.45578 -0.33364 0.68261 -0.27233 158 4YY 0.38532 -0.40703 -0.35621 0.60458 -0.26895 159 4ZZ 0.30591 -0.56245 -0.33070 0.57571 -0.32956 160 4XY 0.02986 -0.07908 -0.07725 -0.02491 -0.01498 161 4XZ -0.02868 0.00880 0.03990 -0.03483 -0.03403 162 4YZ -0.01011 -0.11228 -0.05125 -0.04210 -0.04148 163 17 H 1S -0.06379 0.07219 0.06734 -0.05787 0.03364 164 2S 0.06509 -0.01188 -0.03597 -0.01662 -0.06322 165 18 C 1S 0.16526 0.21975 -0.10792 0.19140 0.08662 166 2S -1.03127 -1.10168 0.71611 -1.05999 -0.64505 167 2PX 0.03201 0.00207 -0.01568 0.04448 -0.01486 168 2PY -0.03662 -0.03307 0.02516 0.13670 0.06076 169 2PZ -0.00685 -0.12488 0.01610 -0.02125 -0.06632 170 3S -0.43896 -1.14042 0.03794 -0.66164 -0.20488 171 3PX -0.07232 0.04703 0.04430 -0.16062 0.05712 172 3PY 0.05931 -0.05276 -0.03078 -0.12408 0.02203 173 3PZ -0.01424 0.40580 0.11265 -0.13568 -0.00897 174 4XX 0.64707 0.83308 -0.41579 0.72155 0.33437 175 4YY 0.58561 0.72035 -0.40987 0.88461 0.49430 176 4ZZ 0.63377 0.87145 -0.42478 0.67106 0.43022 177 4XY 0.00625 0.02356 0.02307 -0.02649 0.01134 178 4XZ -0.00151 0.01749 -0.01495 -0.02873 0.01923 179 4YZ -0.00922 0.04797 0.04856 -0.00533 0.01927 180 19 H 1S -0.04563 -0.07489 0.07397 -0.03018 -0.04875 181 2S 0.14920 0.06046 -0.13910 0.17458 0.06605 182 20 C 1S 0.09605 -0.12497 -0.11601 -0.18316 0.06494 183 2S -0.62429 0.63254 0.40747 0.77059 -0.43409 184 2PX 0.00866 -0.04384 -0.05773 -0.04055 -0.00145 185 2PY 0.00782 0.03984 -0.00326 0.04591 -0.04535 186 2PZ -0.04933 -0.10532 -0.00460 0.05621 0.04389 187 3S -0.17502 0.79688 0.46025 1.04447 -0.32358 188 3PX 0.06556 0.08530 0.22890 0.12952 0.13436 189 3PY 0.04875 -0.25595 -0.12527 -0.41490 0.08003 190 3PZ 0.01286 0.27005 0.12918 0.08826 0.09640 191 4XX 0.39214 -0.45579 -0.33364 -0.68261 0.27233 192 4YY 0.38532 -0.40703 -0.35621 -0.60458 0.26895 193 4ZZ 0.30591 -0.56246 -0.33070 -0.57571 0.32957 194 4XY -0.02986 0.07908 0.07725 -0.02491 -0.01498 195 4XZ -0.02868 0.00880 0.03990 0.03483 0.03403 196 4YZ 0.01011 0.11228 0.05125 -0.04210 -0.04148 197 21 H 1S -0.06379 0.07219 0.06733 0.05786 -0.03364 198 2S 0.06509 -0.01187 -0.03598 0.01662 0.06322 199 22 C 1S 0.16525 0.21974 -0.10792 -0.19141 -0.08662 200 2S -1.03126 -1.10166 0.71610 1.06001 0.64506 201 2PX 0.03201 0.00207 -0.01568 -0.04448 0.01486 202 2PY 0.03662 0.03307 -0.02516 0.13670 0.06076 203 2PZ -0.00685 -0.12488 0.01610 0.02125 0.06632 204 3S -0.43895 -1.14043 0.03794 0.66166 0.20490 205 3PX -0.07232 0.04703 0.04429 0.16062 -0.05712 206 3PY -0.05932 0.05276 0.03078 -0.12408 0.02203 207 3PZ -0.01424 0.40581 0.11264 0.13568 0.00897 208 4XX 0.64706 0.83307 -0.41578 -0.72156 -0.33438 209 4YY 0.58561 0.72033 -0.40986 -0.88462 -0.49430 210 4ZZ 0.63376 0.87144 -0.42477 -0.67108 -0.43022 211 4XY -0.00625 -0.02356 -0.02307 -0.02649 0.01134 212 4XZ -0.00151 0.01749 -0.01494 0.02874 -0.01923 213 4YZ 0.00922 -0.04797 -0.04856 -0.00533 0.01927 214 23 H 1S -0.04563 -0.07489 0.07397 0.03018 0.04875 215 2S 0.14920 0.06045 -0.13909 -0.17458 -0.06605 211 212 213 214 215 V V V V V Eigenvalues -- 4.52476 4.54455 4.63816 4.66211 4.94522 1 1 C 1S 0.11051 -0.25080 0.00752 0.24960 -0.31066 2 2S -0.59765 0.79670 0.38228 -0.78097 0.65520 3 2PX -0.00110 0.01012 -0.01020 0.03738 0.02912 4 2PY 0.01658 0.12515 0.01841 -0.01350 0.03956 5 2PZ 0.04886 -0.07837 -0.02153 0.11404 -0.11201 6 3S -0.66622 2.61055 -0.78810 -2.09673 7.49555 7 3PX -0.15695 -0.00356 0.58467 -0.24128 0.74197 8 3PY 0.13124 -0.42503 0.21832 0.16871 -2.01656 9 3PZ -0.15211 0.59548 -0.11312 -0.78255 2.04926 10 4XX 0.46094 -0.75812 -0.14488 0.82190 -0.92960 11 4YY 0.39805 -0.96391 -0.08592 0.77309 -1.15267 12 4ZZ 0.46871 -0.79833 -0.09865 0.86263 -0.94191 13 4XY 0.04542 0.07044 -0.02912 0.09027 -0.09191 14 4XZ 0.00236 0.04439 0.02134 0.05281 -0.03209 15 4YZ 0.04813 -0.00128 -0.00709 0.01102 -0.12809 16 2 C 1S 0.11052 0.25080 -0.00751 0.24960 0.31066 17 2S -0.59770 -0.79669 -0.38228 -0.78096 -0.65520 18 2PX -0.00110 -0.01011 0.01020 0.03738 -0.02913 19 2PY -0.01657 0.12515 0.01841 0.01350 0.03956 20 2PZ 0.04886 0.07837 0.02153 0.11404 0.11201 21 3S -0.66631 -2.61054 0.78807 -2.09668 -7.49555 22 3PX -0.15695 0.00356 -0.58467 -0.24126 -0.74196 23 3PY -0.13125 -0.42502 0.21832 -0.16870 -2.01656 24 3PZ -0.15212 -0.59548 0.11311 -0.78253 -2.04925 25 4XX 0.46098 0.75811 0.14488 0.82189 0.92960 26 4YY 0.39810 0.96391 0.08593 0.77308 1.15267 27 4ZZ 0.46875 0.79833 0.09866 0.86262 0.94191 28 4XY -0.04542 0.07044 -0.02912 -0.09027 -0.09191 29 4XZ 0.00236 -0.04439 -0.02134 0.05281 0.03209 30 4YZ -0.04813 -0.00128 -0.00709 -0.01102 -0.12809 31 3 C 1S -0.15603 0.20889 -0.08336 -0.16018 -0.25797 32 2S 0.71557 -0.89293 0.44296 0.55722 0.63390 33 2PX 0.01218 -0.01422 0.01808 -0.00566 -0.03571 34 2PY 0.04978 -0.03901 0.00539 0.08425 0.06614 35 2PZ 0.01635 0.04229 0.00403 0.04155 0.02002 36 3S 0.45264 -0.07505 1.12131 -0.02634 2.22275 37 3PX -0.18365 -0.12433 0.06976 -0.55510 -0.89576 38 3PY 0.98350 -0.63217 0.04721 2.28208 4.37820 39 3PZ 0.06079 -0.39160 -0.01163 -0.06288 0.14226 40 4XX -0.57647 0.70891 -0.35250 -0.53241 -0.78574 41 4YY -0.67841 0.89249 -0.35724 -0.66425 -0.97024 42 4ZZ -0.58236 0.70801 -0.35621 -0.55092 -0.83295 43 4XY 0.04575 0.00362 -0.01035 0.06699 0.05273 44 4XZ -0.08297 -0.03012 -0.06695 -0.10463 -0.11028 45 4YZ -0.00763 0.09583 -0.03852 0.04467 0.03400 46 4 C 1S 0.07988 -0.05091 0.13717 0.02348 0.07461 47 2S -0.40377 0.32790 -0.61296 -0.12695 -0.23583 48 2PX -0.04450 0.01623 -0.05580 0.00242 -0.00074 49 2PY -0.01747 -0.00400 0.08559 0.00670 0.01991 50 2PZ -0.04165 0.03693 -0.04633 -0.02297 -0.00255 51 3S -0.51069 0.77197 -1.57236 -0.22173 -3.90307 52 3PX 0.23389 -0.21957 0.35661 0.27101 1.14194 53 3PY -0.14077 -0.01856 -0.30060 -0.42165 -1.67323 54 3PZ 0.21212 -0.21606 0.35748 0.29160 1.08911 55 4XX 0.30752 -0.20314 0.49309 0.10017 0.22523 56 4YY 0.29328 -0.29129 0.63046 0.11837 0.35078 57 4ZZ 0.32872 -0.25037 0.51067 0.09167 0.26446 58 4XY 0.02847 -0.06137 0.04918 0.03476 0.05948 59 4XZ 0.00994 -0.05480 0.02527 0.00187 0.02316 60 4YZ 0.04780 -0.07820 0.04207 0.06774 0.10660 61 5 C 1S 0.07988 0.05090 -0.13717 0.02349 -0.07461 62 2S -0.40377 -0.32789 0.61297 -0.12695 0.23583 63 2PX -0.04450 -0.01622 0.05580 0.00242 0.00074 64 2PY 0.01747 -0.00400 0.08559 -0.00670 0.01992 65 2PZ -0.04165 -0.03693 0.04633 -0.02297 0.00255 66 3S -0.51072 -0.77195 1.57237 -0.22177 3.90308 67 3PX 0.23390 0.21956 -0.35661 0.27102 -1.14193 68 3PY 0.14078 -0.01856 -0.30060 0.42167 -1.67325 69 3PZ 0.21213 0.21606 -0.35748 0.29161 -1.08911 70 4XX 0.30752 0.20313 -0.49309 0.10018 -0.22523 71 4YY 0.29328 0.29128 -0.63046 0.11838 -0.35078 72 4ZZ 0.32872 0.25036 -0.51067 0.09167 -0.26446 73 4XY -0.02847 -0.06137 0.04918 -0.03476 0.05948 74 4XZ 0.00994 0.05480 -0.02527 0.00187 -0.02316 75 4YZ -0.04781 -0.07820 0.04206 -0.06774 0.10660 76 6 C 1S -0.15604 -0.20889 0.08336 -0.16018 0.25797 77 2S 0.71560 0.89292 -0.44295 0.55721 -0.63390 78 2PX 0.01218 0.01423 -0.01808 -0.00566 0.03571 79 2PY -0.04979 -0.03901 0.00539 -0.08424 0.06614 80 2PZ 0.01635 -0.04230 -0.00403 0.04155 -0.02002 81 3S 0.45263 0.07505 -1.12131 -0.02632 -2.22274 82 3PX -0.18364 0.12434 -0.06977 -0.55507 0.89570 83 3PY -0.98355 -0.63215 0.04720 -2.28209 4.37825 84 3PZ 0.06080 0.39160 0.01162 -0.06288 -0.14227 85 4XX -0.57650 -0.70891 0.35249 -0.53240 0.78574 86 4YY -0.67845 -0.89248 0.35723 -0.66424 0.97025 87 4ZZ -0.58238 -0.70800 0.35621 -0.55091 0.83295 88 4XY -0.04575 0.00363 -0.01035 -0.06699 0.05273 89 4XZ -0.08297 0.03013 0.06695 -0.10463 0.11028 90 4YZ 0.00763 0.09583 -0.03852 -0.04468 0.03400 91 7 H 1S -0.04537 0.02331 0.08092 -0.08240 0.00395 92 2S 0.06821 -0.06674 0.06525 0.02534 0.23831 93 8 H 1S -0.04537 -0.02331 -0.08091 -0.08240 -0.00395 94 2S 0.06822 0.06674 -0.06524 0.02535 -0.23831 95 9 H 1S -0.03761 0.00359 -0.04661 -0.04498 -0.08560 96 2S -0.06014 0.00428 -0.01579 -0.18027 -0.42842 97 10 H 1S -0.03761 -0.00359 0.04661 -0.04498 0.08560 98 2S -0.06014 -0.00428 0.01579 -0.18027 0.42842 99 11 O 1S -0.07397 0.06025 0.03188 -0.21113 -0.24464 100 2S -0.16063 0.09154 0.06580 -0.48294 -0.63795 101 2PX -0.00833 0.01778 -0.00574 0.00727 -0.00730 102 2PY 0.04301 -0.08856 0.04946 -0.02402 0.00467 103 2PZ 0.00166 -0.01464 -0.00014 0.00389 0.00626 104 3S 1.39979 -1.10923 -0.52307 3.83841 5.00531 105 3PX -0.03567 0.05948 0.00368 -0.12441 -0.11934 106 3PY 0.45583 -0.40753 -0.10181 1.08180 1.32128 107 3PZ 0.05594 0.04547 -0.00120 0.13538 0.15785 108 4XX -0.27010 0.22916 0.09570 -0.73178 -0.82782 109 4YY -0.05305 -0.01782 0.13916 -0.39529 -0.43596 110 4ZZ -0.26756 0.22642 0.10724 -0.73920 -0.84109 111 4XY -0.02181 0.02692 -0.00593 -0.05116 -0.05591 112 4XZ 0.01193 0.00510 0.01614 0.01119 0.00705 113 4YZ 0.03209 0.00786 0.00802 0.06071 0.06321 114 12 O 1S -0.07397 -0.06025 -0.03188 -0.21113 0.24464 115 2S -0.16064 -0.09154 -0.06580 -0.48294 0.63796 116 2PX -0.00833 -0.01778 0.00574 0.00727 0.00730 117 2PY -0.04301 -0.08856 0.04946 0.02402 0.00467 118 2PZ 0.00166 0.01464 0.00014 0.00389 -0.00626 119 3S 1.39988 1.10921 0.52311 3.83840 -5.00536 120 3PX -0.03566 -0.05948 -0.00368 -0.12440 0.11932 121 3PY -0.45586 -0.40753 -0.10182 -1.08180 1.32129 122 3PZ 0.05594 -0.04547 0.00120 0.13538 -0.15785 123 4XX -0.27012 -0.22916 -0.09571 -0.73178 0.82782 124 4YY -0.05306 0.01782 -0.13917 -0.39529 0.43597 125 4ZZ -0.26758 -0.22642 -0.10725 -0.73920 0.84110 126 4XY 0.02181 0.02692 -0.00593 0.05115 -0.05591 127 4XZ 0.01193 -0.00510 -0.01614 0.01119 -0.00705 128 4YZ -0.03208 0.00786 0.00802 -0.06071 0.06321 129 13 C 1S -0.28166 0.00001 0.00000 0.08423 0.00000 130 2S 1.42492 -0.00003 -0.00001 -0.45828 0.00000 131 2PX -0.08825 0.00000 0.00000 -0.02728 0.00000 132 2PY 0.00000 -0.00194 -0.04314 0.00000 0.07606 133 2PZ -0.07803 0.00000 0.00000 0.02786 0.00000 134 3S 2.52728 -0.00009 -0.00004 -1.86333 0.00000 135 3PX 0.29910 -0.00001 0.00000 -0.23129 0.00000 136 3PY 0.00000 0.04615 -0.44376 0.00000 0.20636 137 3PZ 0.16482 -0.00002 -0.00001 -0.54560 0.00000 138 4XX -1.02640 0.00003 0.00001 0.32265 0.00000 139 4YY -1.19668 0.00003 0.00001 0.45854 0.00000 140 4ZZ -1.10634 0.00003 0.00001 0.30056 0.00000 141 4XY 0.00000 -0.02237 0.09401 0.00000 -0.02311 142 4XZ -0.09612 0.00000 0.00000 0.03029 0.00000 143 4YZ 0.00000 -0.04394 0.11331 0.00000 -0.03534 144 14 H 1S 0.01060 0.00000 0.00000 0.03781 0.00000 145 2S -0.37821 0.00001 0.00000 -0.06001 0.00000 146 15 H 1S -0.02285 0.00000 0.00000 0.07173 0.00000 147 2S -0.22653 0.00001 0.00000 0.17852 0.00000 148 16 C 1S 0.20731 -0.09344 0.33199 -0.23822 -0.14076 149 2S -1.20261 0.02353 -1.13377 0.85027 -0.04693 150 2PX 0.01435 -0.01544 0.06848 -0.04675 0.01075 151 2PY 0.08179 -0.02758 0.16098 -0.11196 -0.06894 152 2PZ 0.02393 0.01819 0.03434 -0.02402 -0.01322 153 3S -1.69685 0.49972 -3.67306 2.37765 2.60814 154 3PX 0.07273 0.29761 -0.42540 0.23632 0.57078 155 3PY -0.22694 0.20099 -1.25942 0.73675 1.01620 156 3PZ 0.08510 -0.14555 -0.34553 0.11666 0.34089 157 4XX 0.82313 -0.22586 1.11364 -0.75391 -0.27943 158 4YY 0.91701 -0.22565 1.08680 -0.89900 -0.33367 159 4ZZ 0.88640 -0.14687 1.26757 -0.81118 -0.37448 160 4XY -0.04635 0.05772 -0.02755 0.01445 0.06779 161 4XZ 0.05724 0.00023 0.04182 -0.03902 -0.05050 162 4YZ -0.03385 0.04301 0.04065 0.00262 -0.00651 163 17 H 1S -0.04520 0.00116 -0.07269 0.07654 -0.00357 164 2S 0.25261 0.00787 -0.03300 -0.04156 0.17330 165 18 C 1S -0.06506 -0.22512 -0.16550 -0.04206 0.03343 166 2S 0.38248 0.93274 0.79045 0.24180 -0.06828 167 2PX 0.00967 -0.01378 0.03481 -0.02755 -0.00947 168 2PY 0.02146 -0.11516 -0.04264 -0.00452 -0.00678 169 2PZ 0.08542 0.09877 0.11952 0.01389 0.00328 170 3S 0.50994 2.08204 3.29836 -0.60986 -1.88911 171 3PX 0.00052 -0.01079 -0.17990 0.06031 0.12097 172 3PY -0.00492 0.66384 0.68150 0.02722 -0.27277 173 3PZ -0.14426 -0.45101 -1.06461 0.28702 0.79789 174 4XX -0.26475 -0.80137 -0.59683 -0.15329 0.10771 175 4YY -0.23053 -0.93898 -0.73494 -0.15008 0.10781 176 4ZZ -0.36703 -0.76214 -0.75332 -0.10842 0.12665 177 4XY 0.00671 0.03947 -0.02669 0.02446 0.02917 178 4XZ -0.06416 -0.00493 -0.08534 0.03174 0.02387 179 4YZ -0.04818 -0.02066 -0.09042 0.07937 0.01640 180 19 H 1S 0.02366 0.07929 0.04840 0.04747 -0.01218 181 2S -0.04656 -0.03685 0.08421 -0.04835 -0.08494 182 20 C 1S 0.20731 0.09342 -0.33200 -0.23822 0.14076 183 2S -1.20259 -0.02347 1.13380 0.85025 0.04693 184 2PX 0.01435 0.01544 -0.06848 -0.04675 -0.01075 185 2PY -0.08179 -0.02757 0.16098 0.11196 -0.06894 186 2PZ 0.02393 -0.01820 -0.03434 -0.02402 0.01322 187 3S -1.69685 -0.49960 3.67314 2.37761 -2.60815 188 3PX 0.07271 -0.29761 0.42541 0.23632 -0.57079 189 3PY 0.22694 0.20095 -1.25944 -0.73673 1.01618 190 3PZ 0.08511 0.14555 0.34554 0.11665 -0.34089 191 4XX 0.82312 0.22581 -1.11366 -0.75389 0.27943 192 4YY 0.91700 0.22560 -1.08683 -0.89899 0.33366 193 4ZZ 0.88639 0.14682 -1.26760 -0.81117 0.37448 194 4XY 0.04635 0.05772 -0.02756 -0.01445 0.06779 195 4XZ 0.05724 -0.00023 -0.04182 -0.03902 0.05050 196 4YZ 0.03385 0.04301 0.04064 -0.00262 -0.00650 197 21 H 1S -0.04520 -0.00115 0.07269 0.07654 0.00357 198 2S 0.25261 -0.00787 0.03299 -0.04156 -0.17329 199 22 C 1S -0.06505 0.22512 0.16550 -0.04207 -0.03343 200 2S 0.38243 -0.93275 -0.79045 0.24183 0.06828 201 2PX 0.00967 0.01378 -0.03482 -0.02755 0.00947 202 2PY -0.02147 -0.11516 -0.04264 0.00453 -0.00678 203 2PZ 0.08542 -0.09878 -0.11952 0.01390 -0.00328 204 3S 0.50986 -2.08208 -3.29839 -0.60975 1.88912 205 3PX 0.00052 0.01079 0.17991 0.06031 -0.12097 206 3PY 0.00494 0.66385 0.68150 -0.02725 -0.27277 207 3PZ -0.14424 0.45103 1.06462 0.28698 -0.79789 208 4XX -0.26472 0.80138 0.59683 -0.15332 -0.10771 209 4YY -0.23048 0.93899 0.73493 -0.15011 -0.10781 210 4ZZ -0.36700 0.76215 0.75332 -0.10845 -0.12665 211 4XY -0.00671 0.03947 -0.02669 -0.02447 0.02917 212 4XZ -0.06416 0.00494 0.08534 0.03174 -0.02387 213 4YZ 0.04818 -0.02066 -0.09042 -0.07937 0.01640 214 23 H 1S 0.02366 -0.07929 -0.04840 0.04748 0.01218 215 2S -0.04655 0.03686 -0.08422 -0.04835 0.08494 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05568 2 2S -0.05950 0.31926 3 2PX -0.00296 0.00998 0.35917 4 2PY -0.00291 0.00011 0.00506 0.42056 5 2PZ 0.00372 -0.00840 0.03787 -0.00976 0.38844 6 3S -0.23340 0.34054 0.01472 0.07885 0.06720 7 3PX 0.00048 -0.00476 0.21735 -0.00157 -0.02301 8 3PY 0.00473 0.00239 -0.00528 0.13044 0.01738 9 3PZ -0.01464 0.00449 -0.02886 0.01732 0.19503 10 4XX -0.01278 -0.01075 0.00470 0.00542 0.00410 11 4YY -0.01643 -0.00195 -0.00161 -0.01322 -0.00057 12 4ZZ -0.01568 -0.00419 -0.00606 0.01175 -0.00724 13 4XY -0.00033 0.00080 0.00272 0.00300 0.01059 14 4XZ -0.00386 0.00785 0.00424 0.00771 -0.00203 15 4YZ 0.00249 -0.00482 0.00993 -0.00268 0.01181 16 2 C 1S 0.01654 -0.03534 0.00992 0.07771 -0.00848 17 2S -0.03534 0.06310 -0.01884 -0.15750 0.01463 18 2PX 0.00992 -0.01884 0.14406 -0.01411 -0.08711 19 2PY -0.07771 0.15750 0.01411 -0.31931 -0.01098 20 2PZ -0.00848 0.01463 -0.08711 0.01098 0.08459 21 3S 0.03071 -0.01026 -0.05376 -0.13473 0.04026 22 3PX 0.01140 -0.01592 0.09003 -0.01091 -0.06348 23 3PY 0.00387 0.01432 0.01435 -0.11233 -0.02762 24 3PZ 0.00403 0.00312 -0.06812 0.02133 0.05205 25 4XX 0.00244 -0.00551 0.00273 0.00853 -0.00203 26 4YY -0.00645 0.01086 -0.00006 -0.00629 0.00002 27 4ZZ 0.00258 -0.00613 0.00016 0.01011 -0.00083 28 4XY -0.00044 0.00094 0.01289 -0.00162 -0.00037 29 4XZ 0.00070 -0.00139 -0.00126 0.00196 0.00103 30 4YZ 0.00041 -0.00058 0.00039 -0.00096 0.01298 31 3 C 1S -0.00330 0.00758 0.00220 -0.01401 0.00381 32 2S 0.00880 -0.01833 -0.01245 0.03691 -0.00608 33 2PX -0.00739 0.01900 0.01573 -0.03465 0.00841 34 2PY 0.00944 -0.02334 -0.00378 0.03551 -0.00902 35 2PZ -0.00832 0.01802 -0.00754 -0.01198 0.01812 36 3S -0.00273 -0.01122 0.00368 0.05527 -0.04139 37 3PX 0.00029 0.00379 0.01025 -0.00599 0.01608 38 3PY -0.01160 0.01306 0.00394 -0.01756 0.00213 39 3PZ -0.00426 0.00969 0.00609 -0.00286 0.01369 40 4XX 0.00037 -0.00096 -0.00583 0.00458 0.00358 41 4YY -0.00186 0.00374 0.00206 -0.00969 -0.00003 42 4ZZ 0.00073 -0.00160 0.00272 0.00168 -0.00254 43 4XY 0.00042 -0.00085 0.00193 0.00171 -0.00197 44 4XZ 0.00047 -0.00110 -0.00046 0.00175 0.00053 45 4YZ -0.00040 0.00045 -0.00551 0.00266 0.00284 46 4 C 1S -0.00073 0.00096 0.00512 -0.00244 0.00084 47 2S 0.00028 -0.00164 -0.01359 0.00594 0.00011 48 2PX -0.00242 0.00754 -0.00857 -0.00492 0.02033 49 2PY 0.00158 -0.00270 -0.00620 0.00208 -0.00775 50 2PZ -0.00220 0.00497 0.03004 -0.01366 -0.01446 51 3S 0.00700 0.00151 -0.02422 0.00663 -0.00651 52 3PX -0.00548 0.00815 -0.01206 -0.00156 0.01268 53 3PY 0.00245 0.00245 0.00127 0.00849 -0.00438 54 3PZ -0.00490 0.00589 0.02076 -0.00884 -0.01396 55 4XX -0.00017 0.00004 -0.00068 0.00065 0.00079 56 4YY 0.00007 0.00003 -0.00094 -0.00075 -0.00007 57 4ZZ -0.00003 -0.00017 0.00112 0.00008 -0.00043 58 4XY -0.00038 0.00097 0.00074 0.00187 0.00148 59 4XZ 0.00017 -0.00024 -0.00008 0.00059 0.00054 60 4YZ -0.00044 0.00104 0.00119 0.00155 0.00154 61 5 C 1S -0.00575 0.01186 0.01560 0.00631 0.01454 62 2S 0.01225 -0.02549 -0.03725 -0.01339 -0.03212 63 2PX -0.01388 0.03169 0.02564 0.02105 0.04016 64 2PY 0.00747 -0.01644 -0.01993 -0.01615 -0.02265 65 2PZ -0.01521 0.03358 0.04962 0.01713 0.03256 66 3S 0.02144 -0.05705 -0.09146 -0.03599 -0.08712 67 3PX -0.00541 0.01684 0.01370 0.00917 0.03424 68 3PY 0.01024 -0.01018 -0.03679 -0.01373 -0.03487 69 3PZ -0.00519 0.01524 0.03353 0.00350 0.02093 70 4XX -0.00092 0.00172 0.00070 0.00172 0.00479 71 4YY 0.00029 -0.00040 -0.00273 -0.00048 -0.00168 72 4ZZ -0.00065 0.00114 0.00501 0.00083 0.00071 73 4XY -0.00047 0.00098 0.00243 0.00012 0.00024 74 4XZ -0.00070 0.00136 0.00314 0.00141 0.00334 75 4YZ -0.00072 0.00136 0.00083 0.00092 0.00240 76 6 C 1S 0.01430 -0.03003 -0.04839 -0.03622 -0.04281 77 2S -0.03013 0.05493 0.10204 0.08129 0.09184 78 2PX 0.04903 -0.09860 -0.08245 -0.11691 -0.16417 79 2PY 0.03344 -0.05880 -0.11345 -0.06404 -0.08367 80 2PZ 0.03985 -0.07953 -0.16453 -0.08368 -0.06002 81 3S 0.01050 0.00990 0.08720 0.06264 0.07431 82 3PX -0.00683 -0.00251 0.01177 -0.01234 -0.02614 83 3PY -0.00870 -0.00752 -0.03669 0.02129 -0.02419 84 3PZ -0.00530 0.00240 -0.02632 -0.00808 0.01752 85 4XX -0.00256 0.00356 -0.00820 0.00661 0.00597 86 4YY 0.00093 -0.00245 -0.00063 -0.01290 -0.00267 87 4ZZ -0.00098 0.00037 0.00106 0.00253 -0.01043 88 4XY -0.00529 0.00977 0.00521 0.00362 0.01263 89 4XZ -0.00362 0.00645 0.00195 0.00638 -0.00168 90 4YZ -0.00555 0.01060 0.01504 0.00448 0.00354 91 7 H 1S -0.06040 0.11597 -0.09472 0.13178 -0.21154 92 2S -0.01007 0.02369 -0.08516 0.09673 -0.18159 93 8 H 1S 0.01233 -0.02671 0.01146 0.03916 0.01263 94 2S 0.01576 -0.02921 0.02532 0.06273 0.02820 95 9 H 1S 0.00074 -0.00096 0.00063 -0.00861 -0.00275 96 2S 0.00640 -0.01073 -0.00122 -0.00616 -0.01199 97 10 H 1S -0.00680 0.01425 0.02059 0.00870 0.01857 98 2S -0.01484 0.02811 0.05277 0.02487 0.04343 99 11 O 1S 0.00116 -0.00274 -0.00069 0.00565 -0.00104 100 2S -0.00232 0.00537 0.00193 -0.01222 0.00009 101 2PX 0.00801 -0.01239 -0.02514 0.04466 0.01501 102 2PY -0.00740 0.01879 -0.00352 -0.03075 0.00738 103 2PZ 0.00932 -0.01407 0.03714 0.00954 -0.02052 104 3S -0.00878 0.01636 0.00292 -0.03908 0.01520 105 3PX 0.00578 -0.01010 -0.02274 0.03663 0.00836 106 3PY -0.00545 0.01376 -0.00369 -0.02576 0.01010 107 3PZ 0.00745 -0.01231 0.02789 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 0.01027 0.00120 115 2S 0.00589 -0.01292 -0.00992 -0.02336 -0.00540 116 2PX -0.02537 0.04072 0.01510 0.06183 0.06339 117 2PY -0.01300 0.02148 0.03280 0.03617 0.01805 118 2PZ -0.02342 0.04809 0.06476 0.04729 0.00619 119 3S 0.00882 -0.00220 0.00450 -0.05465 0.01147 120 3PX -0.01958 0.03352 0.00897 0.05372 0.05602 121 3PY -0.00725 0.00884 0.01717 0.02915 0.00300 122 3PZ -0.01822 0.03921 0.06156 0.03921 0.00364 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 -0.01203 0.03030 0.00334 -0.00774 131 2PX 0.00831 -0.01765 0.03375 0.00332 -0.01274 132 2PY 0.00041 -0.00510 -0.00112 -0.00557 0.01283 133 2PZ -0.00283 0.00504 -0.00540 0.00486 -0.01289 134 3S 0.00917 -0.02069 0.05281 0.00510 -0.02010 135 3PX 0.00344 -0.00561 -0.00037 -0.00369 -0.00297 136 3PY 0.00062 -0.00343 0.00474 -0.00284 0.00597 137 3PZ -0.00383 0.00479 -0.00988 0.01949 -0.01329 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 -0.00030 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 0.00460 -0.00834 0.02095 -0.00122 -0.00172 145 2S 0.00058 -0.00144 0.01126 0.00937 -0.00844 146 15 H 1S -0.00542 0.01041 -0.03258 0.00194 0.01284 147 2S -0.00775 0.01597 -0.07260 0.00178 0.03248 148 16 C 1S -0.00132 0.00220 -0.01083 -0.00193 0.00764 149 2S 0.00423 -0.00346 0.02677 0.00695 -0.01873 150 2PX 0.00160 -0.00359 0.01973 0.02130 -0.01247 151 2PY 0.00502 -0.00693 0.01966 0.01450 -0.01233 152 2PZ -0.00177 0.00437 -0.02070 -0.01063 0.01574 153 3S -0.00154 -0.00127 0.03341 -0.00501 -0.02241 154 3PX 0.00006 -0.00174 0.02747 0.01897 -0.01915 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 -0.00160 0.00068 0.00190 160 4XY -0.00057 0.00064 -0.00144 -0.00182 0.00107 161 4XZ 0.00054 -0.00087 0.00666 -0.00086 -0.00511 162 4YZ 0.00003 0.00002 0.00020 0.00044 -0.00041 163 17 H 1S -0.00141 0.00205 0.00386 -0.01008 -0.00366 164 2S -0.00292 0.00285 -0.00233 -0.02354 0.00594 165 18 C 1S -0.00071 0.00013 -0.00149 -0.00043 0.00056 166 2S 0.00122 0.00021 0.00522 -0.00150 -0.00145 167 2PX 0.00844 -0.01896 0.08498 -0.00523 -0.07280 168 2PY 0.00103 -0.00062 0.00742 -0.00122 -0.00586 169 2PZ -0.00466 0.00691 -0.03499 -0.00060 0.02726 170 3S 0.00328 -0.00104 0.01300 0.01907 -0.01108 171 3PX 0.00535 -0.01142 0.06737 -0.00860 -0.06149 172 3PY 0.00050 -0.00033 0.01280 0.00154 -0.01820 173 3PZ -0.00546 0.00757 -0.03797 -0.00805 0.02940 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 0.00057 -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 0.01302 0.00269 -0.01412 182 20 C 1S -0.00218 0.00219 0.00677 0.00074 -0.00720 183 2S 0.00169 -0.01447 -0.00989 -0.00194 0.00960 184 2PX -0.00918 0.01121 -0.13338 0.02346 0.08121 185 2PY 0.00199 0.00056 0.01645 -0.01291 -0.00657 186 2PZ 0.00253 -0.00246 0.05612 -0.00926 -0.05393 187 3S 0.01602 -0.01269 0.00209 -0.01355 0.02921 188 3PX 0.00305 -0.00218 -0.08489 0.01375 0.05590 189 3PY -0.00327 -0.00228 0.00054 0.01260 -0.00151 190 3PZ 0.00073 0.00202 0.05377 -0.01905 -0.02395 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 -0.00129 195 4XZ 0.00124 -0.00319 0.00557 -0.00251 -0.00141 196 4YZ -0.00011 0.00027 -0.00119 -0.00045 0.00131 197 21 H 1S 0.00447 -0.00840 0.01955 -0.01376 -0.00580 198 2S 0.00623 -0.00770 0.02868 -0.02588 -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 -0.01755 201 2PX 0.00780 -0.02010 0.00172 -0.01089 -0.00486 202 2PY 0.00006 -0.00165 0.00023 0.00067 -0.00610 203 2PZ -0.00418 0.01311 -0.00999 0.00416 0.02128 204 3S -0.00204 -0.00289 -0.03608 0.01224 0.00481 205 3PX 0.00777 -0.01811 0.01456 -0.01614 -0.01044 206 3PY -0.00161 0.00164 0.00332 0.00182 -0.01677 207 3PZ -0.00185 0.00856 0.00680 -0.00422 0.00835 208 4XX -0.00055 0.00065 0.00147 -0.00037 -0.00053 209 4YY -0.00015 0.00008 0.00150 -0.00047 -0.00103 210 4ZZ -0.00041 -0.00025 -0.00242 0.00082 0.00121 211 4XY -0.00054 0.00073 -0.00500 0.00089 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 0.00010 0.00285 0.00436 6 7 8 9 10 6 3S 0.55232 7 3PX 0.00104 0.14605 8 3PY -0.01285 -0.00734 0.07150 9 3PZ 0.07387 -0.03721 0.01105 0.11604 10 4XX -0.00898 0.00230 0.00089 0.00164 0.00093 11 4YY -0.00621 -0.00092 -0.00199 -0.00146 -0.00013 12 4ZZ -0.00269 -0.00287 0.00270 -0.00254 0.00020 13 4XY 0.00210 0.00018 0.00232 0.00485 0.00012 14 4XZ 0.00806 0.00193 0.00230 -0.00125 -0.00015 15 4YZ -0.00550 0.00461 -0.00064 0.00387 0.00037 16 2 C 1S 0.03071 0.01140 -0.00387 0.00403 0.00244 17 2S -0.01026 -0.01593 -0.01432 0.00312 -0.00551 18 2PX -0.05376 0.09003 -0.01435 -0.06812 0.00273 19 2PY 0.13473 0.01092 -0.11233 -0.02133 -0.00853 20 2PZ 0.04026 -0.06348 0.02762 0.05205 -0.00203 21 3S -0.18420 -0.04219 0.05178 0.00534 -0.00421 22 3PX -0.04219 0.05802 -0.01405 -0.04913 0.00209 23 3PY -0.05178 0.01406 -0.02164 -0.02924 -0.00213 24 3PZ 0.00534 -0.04913 0.02924 0.03311 -0.00146 25 4XX -0.00421 0.00209 0.00213 -0.00146 0.00038 26 4YY 0.01296 -0.00056 -0.00333 0.00011 -0.00037 27 4ZZ -0.00499 0.00066 0.00297 0.00009 0.00028 28 4XY 0.00017 0.00859 -0.00059 -0.00195 0.00008 29 4XZ -0.00257 -0.00140 0.00143 0.00103 0.00004 30 4YZ 0.00025 -0.00126 0.00085 0.00682 0.00014 31 3 C 1S -0.01196 -0.00060 0.00024 -0.00401 -0.00022 32 2S 0.00041 -0.00815 0.01060 0.00425 0.00062 33 2PX 0.01407 0.01175 -0.00920 0.00199 0.00028 34 2PY -0.07420 -0.00272 0.04309 -0.00672 0.00015 35 2PZ 0.03483 0.00979 -0.00219 0.01603 -0.00104 36 3S 0.01572 0.01214 0.01291 -0.01253 0.00056 37 3PX -0.00106 0.00356 0.00779 0.00653 0.00030 38 3PY 0.02640 0.00173 -0.00919 0.00437 -0.00034 39 3PZ 0.02458 0.00870 0.00260 0.00963 -0.00050 40 4XX -0.00367 -0.00373 0.00483 0.00226 -0.00001 41 4YY 0.00454 0.00108 -0.00468 -0.00093 -0.00015 42 4ZZ -0.00364 0.00183 0.00038 -0.00147 0.00005 43 4XY 0.00539 0.00152 -0.00473 -0.00109 0.00018 44 4XZ -0.00241 -0.00040 0.00147 0.00043 0.00007 45 4YZ 0.00843 -0.00429 -0.00301 0.00287 -0.00015 46 4 C 1S 0.00022 0.00489 -0.00124 0.00211 0.00009 47 2S 0.00996 -0.01034 -0.00062 -0.00037 -0.00038 48 2PX 0.00248 -0.01074 0.00717 0.00081 0.00173 49 2PY -0.01056 -0.00717 0.01008 -0.00812 -0.00077 50 2PZ 0.00268 0.01585 -0.00564 -0.00926 -0.00148 51 3S 0.05835 -0.01861 -0.02816 -0.00553 -0.00135 52 3PX 0.00944 -0.00920 0.00495 0.00278 0.00083 53 3PY 0.02920 -0.00114 -0.00257 -0.00438 -0.00068 54 3PZ 0.01404 0.01301 -0.00678 -0.00467 -0.00089 55 4XX 0.00029 -0.00034 0.00036 0.00064 -0.00003 56 4YY -0.00009 -0.00068 -0.00035 0.00006 0.00000 57 4ZZ -0.00083 0.00049 0.00012 -0.00039 0.00008 58 4XY 0.00418 0.00124 0.00117 0.00119 0.00004 59 4XZ -0.00027 -0.00026 0.00039 0.00029 0.00001 60 4YZ 0.00373 0.00131 0.00137 0.00151 -0.00015 61 5 C 1S 0.02803 0.00960 0.00596 0.00732 -0.00039 62 2S -0.06314 -0.02523 -0.00648 -0.01698 0.00064 63 2PX 0.09763 0.02739 0.02913 0.02462 0.00055 64 2PY -0.04056 -0.00854 -0.01435 -0.00733 0.00118 65 2PZ 0.09606 0.04226 0.02711 0.02494 -0.00423 66 3S -0.16553 -0.04543 -0.00214 -0.03362 0.00109 67 3PX 0.04214 0.00801 0.01548 0.01277 0.00077 68 3PY -0.00278 -0.02154 -0.01961 -0.01593 -0.00052 69 3PZ 0.02883 0.01957 0.01373 0.00808 -0.00192 70 4XX 0.00298 0.00012 0.00080 0.00248 -0.00008 71 4YY -0.00007 -0.00159 0.00049 -0.00109 -0.00012 72 4ZZ 0.00151 0.00286 0.00000 0.00016 0.00020 73 4XY 0.00442 0.00247 0.00037 0.00138 -0.00010 74 4XZ 0.00138 0.00134 0.00039 0.00144 0.00008 75 4YZ 0.00425 0.00153 0.00134 0.00175 -0.00010 76 6 C 1S 0.02147 -0.00201 -0.01943 0.00470 -0.00240 77 2S -0.00342 0.01795 0.03210 0.00732 0.00396 78 2PX -0.13525 -0.03627 -0.06599 -0.07117 0.00421 79 2PY -0.11989 -0.06383 0.01826 -0.06105 -0.00303 80 2PZ -0.11687 -0.09359 -0.04988 -0.02878 -0.00344 81 3S -0.04748 0.01689 0.01979 0.00297 0.00431 82 3PX 0.01866 0.01173 -0.01055 -0.00365 0.00200 83 3PY 0.02521 -0.00861 0.00082 0.00393 -0.00088 84 3PZ 0.00536 -0.01651 -0.00061 0.00441 -0.00233 85 4XX 0.01387 -0.00442 0.00077 0.00719 -0.00002 86 4YY -0.00701 0.00040 -0.00247 -0.00313 -0.00022 87 4ZZ 0.00157 0.00298 -0.00097 -0.00337 -0.00016 88 4XY 0.02525 0.00198 0.00002 0.00878 0.00003 89 4XZ 0.00724 0.00090 0.00159 -0.00092 -0.00012 90 4YZ 0.02372 0.01027 -0.00039 0.00046 -0.00036 91 7 H 1S 0.11211 -0.03926 0.03218 -0.08496 -0.00524 92 2S -0.00280 -0.03307 0.02222 -0.07425 -0.00224 93 8 H 1S -0.04698 0.00652 0.02109 0.00997 0.00135 94 2S -0.02017 0.01354 0.01611 0.01770 0.00221 95 9 H 1S -0.00770 -0.00382 -0.00592 -0.00547 0.00037 96 2S -0.04024 -0.00438 0.00158 -0.01122 0.00072 97 10 H 1S 0.04514 0.02151 0.01478 0.01577 -0.00069 98 2S 0.08858 0.04110 0.01264 0.03016 -0.00038 99 11 O 1S -0.00168 0.00161 0.00194 0.00184 0.00016 100 2S 0.01150 -0.00228 -0.00806 -0.00317 -0.00031 101 2PX -0.11203 -0.01615 0.09698 0.00945 -0.00021 102 2PY 0.07053 -0.00333 -0.03528 0.01027 -0.00031 103 2PZ -0.09390 0.04197 0.05297 -0.01826 0.00221 104 3S 0.01264 -0.00543 -0.01079 0.00324 -0.00095 105 3PX -0.07837 -0.01432 0.06899 0.00663 -0.00025 106 3PY 0.04086 -0.00410 -0.02084 0.00900 -0.00042 107 3PZ -0.07314 0.02970 0.03760 -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 0.00202 -0.00422 0.00139 -0.00516 -0.00033 115 2S -0.02016 0.00453 0.00300 0.00341 0.00089 116 2PX 0.26809 0.00927 -0.03054 0.08666 0.00461 117 2PY 0.11169 0.05169 -0.02308 0.05177 -0.00097 118 2PZ 0.19639 0.05348 -0.01926 -0.01450 -0.00524 119 3S 0.00361 0.01892 -0.01020 0.01950 0.00005 120 3PX 0.19411 0.00359 -0.01539 0.06568 0.00287 121 3PY 0.05636 0.02917 -0.00973 0.02471 -0.00028 122 3PZ 0.14704 0.04799 -0.01176 -0.01044 -0.00332 123 4XX 0.00019 -0.00029 0.00040 0.00054 -0.00007 124 4YY -0.00637 -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 -0.00227 -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 -0.00474 -0.01306 0.00239 131 2PX -0.03798 0.02765 -0.00702 -0.02077 0.00532 132 2PY 0.01708 -0.01352 -0.02065 0.00321 0.00217 133 2PZ 0.02275 0.00403 0.00927 -0.00388 -0.00087 134 3S -0.03457 0.03149 -0.00631 -0.02405 0.00227 135 3PX -0.01293 -0.00019 -0.00292 -0.00530 0.00193 136 3PY -0.00064 -0.00433 -0.00650 -0.00196 0.00087 137 3PZ 0.01408 -0.00487 0.01108 -0.00357 -0.00094 138 4XX 0.00397 -0.00505 0.00106 0.00355 -0.00032 139 4YY -0.00059 0.00242 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 -0.02598 0.00819 -0.00800 -0.00705 0.00146 145 2S -0.01280 0.00172 -0.00087 -0.00645 0.00034 146 15 H 1S 0.02441 -0.02303 0.00592 0.01597 -0.00286 147 2S 0.03524 -0.04943 0.00927 0.03248 -0.00323 148 16 C 1S 0.00298 -0.00715 0.00013 0.00882 -0.00034 149 2S -0.02525 0.02161 0.00871 -0.02309 0.00064 150 2PX -0.00813 0.02349 0.01131 -0.01529 -0.00125 151 2PY -0.04043 0.02178 0.02224 -0.01288 0.00065 152 2PZ -0.00102 -0.03432 -0.01032 0.00852 0.00030 153 3S -0.01584 0.02722 0.00052 -0.02744 0.00113 154 3PX 0.00387 0.02707 0.00569 -0.01734 -0.00082 155 3PY -0.00446 0.00508 -0.00401 0.00058 0.00052 156 3PZ 0.00932 -0.03302 -0.01610 0.01289 0.00056 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 0.00135 0.00000 160 4XY 0.00088 -0.00091 -0.00113 0.00057 -0.00002 161 4XZ -0.00251 0.00542 -0.00124 -0.00391 0.00006 162 4YZ 0.00053 -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 0.00375 0.00050 165 18 C 1S 0.00626 0.00055 -0.00176 0.00212 -0.00015 166 2S -0.01339 -0.00133 0.00238 -0.00547 0.00036 167 2PX -0.03555 0.08381 -0.01665 -0.05242 0.00045 168 2PY -0.00475 0.01024 0.00150 -0.00333 -0.00025 169 2PZ 0.03422 -0.02329 0.00438 0.02730 -0.00024 170 3S -0.02485 0.00946 0.02374 -0.00871 -0.00125 171 3PX -0.02657 0.06245 -0.01402 -0.04431 0.00021 172 3PY -0.00834 0.01440 0.00543 -0.01130 -0.00058 173 3PZ 0.02361 -0.03104 -0.00323 0.02222 0.00041 174 4XX 0.00125 -0.00076 -0.00042 0.00083 -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 0.00046 -0.00148 0.00033 0.00014 -0.00002 180 19 H 1S 0.00377 0.00501 0.00061 0.00007 0.00012 181 2S 0.00010 0.01576 0.00160 -0.00601 -0.00012 182 20 C 1S 0.01395 -0.00429 0.00077 -0.00187 -0.00141 183 2S 0.00293 0.00446 -0.01057 0.01156 0.00265 184 2PX 0.02584 -0.08701 0.00039 0.06898 0.00059 185 2PY -0.02239 0.01612 0.02027 -0.00348 -0.00179 186 2PZ -0.00316 0.05255 -0.00051 -0.02783 -0.00455 187 3S 0.00038 0.01465 -0.00925 0.01976 0.00317 188 3PX -0.00311 -0.05792 0.00282 0.04285 0.00115 189 3PY 0.00353 -0.00090 0.00836 0.00153 -0.00050 190 3PZ -0.00866 0.04243 0.00176 -0.02065 -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 -0.00217 -0.00177 0.00024 196 4YZ 0.00041 -0.00150 -0.00073 0.00035 0.00015 197 21 H 1S -0.02220 0.01992 0.00742 -0.00517 0.00065 198 2S -0.04323 0.02642 0.00699 -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 -0.00824 -0.00080 201 2PX -0.04087 0.01006 -0.02333 -0.00628 0.00315 202 2PY 0.00489 0.00168 -0.00179 -0.00163 -0.00050 203 2PZ 0.00990 -0.02545 0.01585 0.00353 0.00071 204 3S 0.02344 -0.02849 -0.01174 0.01374 -0.00010 205 3PX -0.03343 0.01787 -0.01978 -0.00844 0.00205 206 3PY -0.00412 0.00649 0.00428 -0.00896 -0.00083 207 3PZ 0.00325 0.00108 0.01071 -0.00019 -0.00028 208 4XX 0.00005 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 0.00107 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 -0.00076 -0.00370 0.00076 215 2S -0.00115 -0.00752 -0.00143 -0.00277 0.00104 11 12 13 14 15 11 4YY 0.00091 12 4ZZ -0.00025 0.00090 13 4XY -0.00001 -0.00025 0.00093 14 4XZ -0.00030 0.00016 0.00018 0.00064 15 4YZ 0.00011 -0.00030 0.00036 -0.00020 0.00124 16 2 C 1S -0.00645 0.00258 0.00044 0.00070 -0.00041 17 2S 0.01086 -0.00613 -0.00094 -0.00139 0.00058 18 2PX -0.00006 0.00016 -0.01289 -0.00126 -0.00039 19 2PY 0.00629 -0.01011 -0.00162 -0.00196 -0.00096 20 2PZ 0.00002 -0.00083 0.00037 0.00103 -0.01298 21 3S 0.01296 -0.00499 -0.00017 -0.00257 -0.00025 22 3PX -0.00056 0.00066 -0.00859 -0.00140 0.00126 23 3PY 0.00333 -0.00297 -0.00059 -0.00143 0.00085 24 3PZ 0.00011 0.00010 0.00195 0.00103 -0.00682 25 4XX -0.00037 0.00028 -0.00008 0.00004 -0.00014 26 4YY 0.00003 -0.00025 0.00002 0.00015 -0.00009 27 4ZZ -0.00025 0.00038 0.00025 0.00004 0.00025 28 4XY -0.00002 -0.00025 0.00030 0.00017 0.00053 29 4XZ 0.00015 0.00004 -0.00017 -0.00002 0.00014 30 4YZ 0.00009 -0.00025 0.00053 -0.00014 0.00089 31 3 C 1S -0.00058 -0.00048 0.00146 0.00009 0.00140 32 2S 0.00103 0.00127 -0.00307 -0.00021 -0.00291 33 2PX -0.00161 -0.00123 0.00261 -0.00062 0.00607 34 2PY 0.00159 0.00016 -0.00419 0.00002 -0.00272 35 2PZ -0.00154 -0.00076 0.00582 0.00081 0.00216 36 3S -0.00024 0.00168 -0.00285 0.00023 -0.00373 37 3PX -0.00005 -0.00063 -0.00023 -0.00051 0.00150 38 3PY 0.00033 -0.00095 -0.00143 -0.00008 -0.00094 39 3PZ -0.00010 -0.00055 0.00105 0.00024 -0.00031 40 4XX 0.00004 0.00004 0.00031 0.00008 -0.00024 41 4YY 0.00012 -0.00029 -0.00001 -0.00012 0.00013 42 4ZZ -0.00003 0.00011 -0.00007 0.00000 0.00036 43 4XY -0.00022 -0.00001 0.00013 -0.00002 0.00049 44 4XZ 0.00013 0.00001 -0.00008 -0.00001 0.00011 45 4YZ -0.00023 0.00009 0.00063 0.00012 0.00006 46 4 C 1S 0.00003 -0.00012 -0.00046 0.00018 -0.00034 47 2S -0.00002 -0.00005 0.00115 -0.00027 0.00088 48 2PX 0.00077 -0.00163 -0.00110 -0.00095 -0.00073 49 2PY 0.00106 -0.00037 -0.00118 -0.00105 -0.00165 50 2PZ 0.00026 0.00121 -0.00109 0.00023 -0.00147 51 3S -0.00021 0.00025 0.00289 -0.00043 0.00281 52 3PX 0.00043 -0.00093 -0.00082 -0.00037 -0.00092 53 3PY 0.00044 -0.00008 -0.00150 -0.00055 -0.00141 54 3PZ -0.00006 0.00063 -0.00078 0.00024 -0.00131 55 4XX 0.00002 0.00003 0.00002 0.00003 -0.00014 56 4YY -0.00004 0.00003 0.00005 0.00002 0.00001 57 4ZZ 0.00002 -0.00001 -0.00015 -0.00001 0.00001 58 4XY 0.00004 -0.00018 0.00015 -0.00009 0.00006 59 4XZ 0.00001 0.00001 -0.00009 0.00003 -0.00008 60 4YZ 0.00003 -0.00003 0.00011 -0.00008 0.00015 61 5 C 1S 0.00028 -0.00093 0.00051 -0.00054 0.00067 62 2S -0.00041 0.00206 -0.00091 0.00115 -0.00153 63 2PX 0.00210 -0.00550 0.00208 -0.00325 0.00057 64 2PY -0.00089 0.00197 -0.00084 0.00160 -0.00053 65 2PZ 0.00212 -0.00171 0.00102 -0.00274 0.00244 66 3S -0.00022 0.00383 -0.00279 0.00020 -0.00410 67 3PX 0.00135 -0.00316 0.00183 -0.00128 0.00108 68 3PY 0.00028 0.00140 -0.00117 0.00011 -0.00138 69 3PZ 0.00127 -0.00069 0.00095 -0.00092 0.00212 70 4XX -0.00005 0.00003 0.00011 0.00006 0.00018 71 4YY 0.00017 0.00001 -0.00001 -0.00013 -0.00005 72 4ZZ -0.00008 -0.00016 0.00015 0.00012 0.00007 73 4XY 0.00002 -0.00016 0.00010 -0.00011 0.00001 74 4XZ -0.00013 0.00000 0.00014 0.00022 0.00013 75 4YZ 0.00007 -0.00020 0.00004 -0.00014 0.00014 76 6 C 1S 0.00050 -0.00068 -0.00402 -0.00357 -0.00331 77 2S -0.00236 0.00029 0.00797 0.00742 0.00642 78 2PX 0.00167 0.00028 -0.00490 -0.00344 -0.00771 79 2PY 0.00969 -0.00009 -0.00037 -0.00750 -0.00048 80 2PZ 0.00113 0.00747 -0.00749 -0.00137 -0.00269 81 3S -0.00247 0.00054 0.00504 0.00458 0.00689 82 3PX -0.00071 -0.00149 -0.00040 -0.00047 -0.00270 83 3PY -0.00095 0.00166 -0.00196 -0.00148 -0.00189 84 3PZ 0.00046 0.00201 -0.00169 0.00021 0.00071 85 4XX -0.00046 0.00006 -0.00009 -0.00006 -0.00036 86 4YY 0.00071 -0.00026 -0.00010 -0.00037 0.00013 87 4ZZ -0.00032 0.00030 -0.00045 0.00017 -0.00048 88 4XY -0.00025 -0.00047 0.00043 -0.00003 0.00014 89 4XZ -0.00028 0.00018 0.00003 0.00047 -0.00016 90 4YZ -0.00022 -0.00019 -0.00011 0.00028 0.00034 91 7 H 1S -0.00404 0.00768 -0.00528 0.00574 -0.01190 92 2S -0.00323 0.00734 -0.00536 0.00340 -0.01004 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 -0.00005 0.00042 -0.00073 0.00025 -0.00059 96 2S -0.00002 0.00098 -0.00224 0.00040 -0.00169 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 -0.00367 -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 0.00094 -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 -0.00725 -0.00261 0.00087 -0.00077 -0.00391 117 2PY -0.00753 0.00258 -0.00534 0.00369 -0.00288 118 2PZ -0.00216 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 0.00207 -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 -0.00110 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 -0.00046 -0.00053 -0.00021 0.00063 0.00077 145 2S -0.00027 0.00016 -0.00012 0.00145 0.00048 146 15 H 1S 0.00049 0.00086 0.00055 0.00017 -0.00099 147 2S 0.00067 0.00078 0.00173 -0.00002 -0.00182 148 16 C 1S 0.00001 -0.00017 -0.00036 -0.00011 0.00047 149 2S 0.00003 0.00044 0.00044 0.00039 -0.00046 150 2PX 0.00015 -0.00020 0.00661 0.00229 -0.00434 151 2PY 0.00001 0.00026 0.00139 0.00045 -0.00058 152 2PZ -0.00007 0.00055 -0.00292 -0.00109 0.00279 153 3S 0.00004 -0.00010 -0.00035 -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 -0.00129 -0.00125 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 -0.00207 0.00287 -0.00344 -0.00522 0.00188 185 2PY 0.00193 -0.00084 -0.00098 0.00137 0.00051 186 2PZ 0.00100 0.00124 0.00231 0.00247 -0.00178 187 3S -0.00084 -0.00171 -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 0.00137 -0.00067 0.00284 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 0.00163 -0.00547 -0.00564 0.00350 202 2PY -0.00034 0.00014 0.00064 -0.00027 -0.00022 203 2PZ 0.00110 -0.00183 0.00156 0.00236 -0.00090 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 0.00146 -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 16 17 18 19 20 16 2 C 1S 2.05568 17 2S -0.05950 0.31926 18 2PX -0.00296 0.00998 0.35917 19 2PY 0.00291 -0.00011 -0.00507 0.42056 20 2PZ 0.00372 -0.00840 0.03787 0.00976 0.38844 21 3S -0.23340 0.34054 0.01472 -0.07885 0.06720 22 3PX 0.00048 -0.00476 0.21735 0.00157 -0.02301 23 3PY -0.00473 -0.00239 0.00528 0.13044 -0.01738 24 3PZ -0.01464 0.00449 -0.02886 -0.01732 0.19503 25 4XX -0.01278 -0.01075 0.00470 -0.00542 0.00410 26 4YY -0.01643 -0.00195 -0.00161 0.01322 -0.00057 27 4ZZ -0.01568 -0.00419 -0.00606 -0.01175 -0.00724 28 4XY 0.00033 -0.00080 -0.00272 0.00300 -0.01059 29 4XZ -0.00386 0.00785 0.00424 -0.00771 -0.00203 30 4YZ -0.00249 0.00482 -0.00993 -0.00268 -0.01181 31 3 C 1S 0.01430 -0.03003 -0.04839 0.03622 -0.04281 32 2S -0.03013 0.05493 0.10204 -0.08129 0.09184 33 2PX 0.04903 -0.09861 -0.08245 0.11691 -0.16417 34 2PY -0.03344 0.05880 0.11345 -0.06404 0.08366 35 2PZ 0.03985 -0.07953 -0.16453 0.08368 -0.06002 36 3S 0.01050 0.00990 0.08720 -0.06264 0.07431 37 3PX -0.00683 -0.00251 0.01177 0.01234 -0.02614 38 3PY 0.00870 0.00752 0.03669 0.02129 0.02419 39 3PZ -0.00530 0.00240 -0.02632 0.00808 0.01752 40 4XX -0.00256 0.00356 -0.00820 -0.00661 0.00597 41 4YY 0.00093 -0.00245 -0.00063 0.01290 -0.00267 42 4ZZ -0.00098 0.00037 0.00106 -0.00253 -0.01043 43 4XY 0.00529 -0.00977 -0.00521 0.00362 -0.01263 44 4XZ -0.00362 0.00645 0.00195 -0.00638 -0.00168 45 4YZ 0.00555 -0.01060 -0.01504 0.00448 -0.00354 46 4 C 1S -0.00575 0.01186 0.01560 -0.00631 0.01454 47 2S 0.01225 -0.02549 -0.03726 0.01339 -0.03212 48 2PX -0.01388 0.03169 0.02564 -0.02105 0.04016 49 2PY -0.00747 0.01644 0.01993 -0.01615 0.02265 50 2PZ -0.01521 0.03358 0.04962 -0.01713 0.03256 51 3S 0.02144 -0.05705 -0.09146 0.03599 -0.08713 52 3PX -0.00541 0.01684 0.01370 -0.00917 0.03424 53 3PY -0.01024 0.01018 0.03679 -0.01373 0.03487 54 3PZ -0.00519 0.01524 0.03353 -0.00350 0.02093 55 4XX -0.00092 0.00172 0.00070 -0.00172 0.00479 56 4YY 0.00029 -0.00040 -0.00273 0.00048 -0.00168 57 4ZZ -0.00065 0.00114 0.00501 -0.00083 0.00071 58 4XY 0.00047 -0.00098 -0.00243 0.00012 -0.00024 59 4XZ -0.00070 0.00136 0.00314 -0.00141 0.00334 60 4YZ 0.00072 -0.00136 -0.00083 0.00092 -0.00240 61 5 C 1S -0.00073 0.00096 0.00512 0.00244 0.00084 62 2S 0.00028 -0.00164 -0.01359 -0.00594 0.00011 63 2PX -0.00242 0.00755 -0.00857 0.00492 0.02033 64 2PY -0.00158 0.00270 0.00620 0.00208 0.00775 65 2PZ -0.00220 0.00497 0.03004 0.01366 -0.01446 66 3S 0.00700 0.00151 -0.02422 -0.00664 -0.00651 67 3PX -0.00548 0.00815 -0.01206 0.00156 0.01268 68 3PY -0.00245 -0.00245 -0.00127 0.00849 0.00438 69 3PZ -0.00490 0.00589 0.02076 0.00884 -0.01396 70 4XX -0.00017 0.00004 -0.00068 -0.00065 0.00079 71 4YY 0.00007 0.00003 -0.00094 0.00075 -0.00007 72 4ZZ -0.00003 -0.00017 0.00112 -0.00008 -0.00043 73 4XY 0.00038 -0.00097 -0.00074 0.00187 -0.00148 74 4XZ 0.00017 -0.00024 -0.00008 -0.00059 0.00054 75 4YZ 0.00044 -0.00104 -0.00119 0.00155 -0.00154 76 6 C 1S -0.00330 0.00758 0.00220 0.01401 0.00381 77 2S 0.00880 -0.01833 -0.01245 -0.03691 -0.00608 78 2PX -0.00739 0.01899 0.01573 0.03465 0.00841 79 2PY -0.00944 0.02334 0.00378 0.03551 0.00902 80 2PZ -0.00832 0.01802 -0.00754 0.01198 0.01812 81 3S -0.00273 -0.01122 0.00368 -0.05527 -0.04139 82 3PX 0.00029 0.00379 0.01025 0.00599 0.01608 83 3PY 0.01160 -0.01306 -0.00394 -0.01756 -0.00213 84 3PZ -0.00426 0.00969 0.00609 0.00286 0.01369 85 4XX 0.00037 -0.00096 -0.00583 -0.00458 0.00358 86 4YY -0.00186 0.00374 0.00206 0.00969 -0.00003 87 4ZZ 0.00073 -0.00160 0.00272 -0.00168 -0.00254 88 4XY -0.00042 0.00085 -0.00193 0.00171 0.00197 89 4XZ 0.00047 -0.00110 -0.00046 -0.00175 0.00053 90 4YZ 0.00040 -0.00045 0.00551 0.00266 -0.00284 91 7 H 1S 0.01233 -0.02671 0.01146 -0.03916 0.01263 92 2S 0.01576 -0.02921 0.02532 -0.06273 0.02820 93 8 H 1S -0.06040 0.11597 -0.09472 -0.13178 -0.21154 94 2S -0.01007 0.02369 -0.08516 -0.09673 -0.18159 95 9 H 1S -0.00680 0.01425 0.02059 -0.00870 0.01857 96 2S -0.01484 0.02811 0.05277 -0.02487 0.04343 97 10 H 1S 0.00074 -0.00096 0.00063 0.00861 -0.00275 98 2S 0.00640 -0.01073 -0.00122 0.00616 -0.01199 99 11 O 1S -0.00276 0.00534 0.00291 -0.01027 0.00120 100 2S 0.00589 -0.01292 -0.00992 0.02336 -0.00540 101 2PX -0.02537 0.04072 0.01510 -0.06183 0.06339 102 2PY 0.01300 -0.02148 -0.03280 0.03617 -0.01805 103 2PZ -0.02342 0.04809 0.06476 -0.04729 0.00619 104 3S 0.00882 -0.00220 0.00450 0.05465 0.01147 105 3PX -0.01958 0.03352 0.00897 -0.05372 0.05602 106 3PY 0.00725 -0.00884 -0.01717 0.02915 -0.00300 107 3PZ -0.01822 0.03921 0.06156 -0.03921 0.00364 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 -0.00565 -0.00104 115 2S -0.00232 0.00537 0.00193 0.01222 0.00009 116 2PX 0.00801 -0.01239 -0.02514 -0.04466 0.01501 117 2PY 0.00740 -0.01879 0.00352 -0.03075 -0.00738 118 2PZ 0.00932 -0.01407 0.03714 -0.00954 -0.02052 119 3S -0.00878 0.01636 0.00292 0.03908 0.01520 120 3PX 0.00578 -0.01010 -0.02274 -0.03663 0.00836 121 3PY 0.00545 -0.01376 0.00369 -0.02576 -0.01010 122 3PZ 0.00745 -0.01231 0.02789 -0.00746 -0.01871 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 0.00041 0.00302 130 2S 0.00584 -0.01203 0.03030 -0.00334 -0.00774 131 2PX 0.00831 -0.01765 0.03375 -0.00332 -0.01274 132 2PY -0.00041 0.00510 0.00112 -0.00557 -0.01283 133 2PZ -0.00283 0.00504 -0.00540 -0.00486 -0.01289 134 3S 0.00917 -0.02069 0.05281 -0.00510 -0.02010 135 3PX 0.00344 -0.00561 -0.00037 0.00369 -0.00297 136 3PY -0.00062 0.00343 -0.00474 -0.00284 -0.00597 137 3PZ -0.00383 0.00479 -0.00988 -0.01949 -0.01329 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 0.00030 -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 0.00460 -0.00834 0.02095 0.00122 -0.00172 145 2S 0.00058 -0.00144 0.01126 -0.00937 -0.00844 146 15 H 1S -0.00542 0.01041 -0.03258 -0.00194 0.01284 147 2S -0.00775 0.01598 -0.07260 -0.00178 0.03248 148 16 C 1S -0.00218 0.00219 0.00677 -0.00074 -0.00720 149 2S 0.00169 -0.01447 -0.00989 0.00194 0.00960 150 2PX -0.00918 0.01121 -0.13338 -0.02346 0.08121 151 2PY -0.00199 -0.00056 -0.01645 -0.01291 0.00657 152 2PZ 0.00253 -0.00246 0.05612 0.00926 -0.05393 153 3S 0.01602 -0.01269 0.00208 0.01355 0.02921 154 3PX 0.00305 -0.00218 -0.08489 -0.01375 0.05590 155 3PY 0.00327 0.00228 -0.00054 0.01260 0.00151 156 3PZ 0.00073 0.00202 0.05376 0.01905 -0.02395 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 -0.00158 0.00191 0.00129 161 4XZ 0.00124 -0.00319 0.00557 0.00251 -0.00141 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 0.02867 0.02588 -0.02110 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 -0.00023 0.00067 0.00610 169 2PZ -0.00418 0.01311 -0.00999 -0.00416 0.02128 170 3S -0.00204 -0.00289 -0.03607 -0.01224 0.00480 171 3PX 0.00777 -0.01811 0.01456 0.01614 -0.01044 172 3PY 0.00161 -0.00164 -0.00332 0.00182 0.01677 173 3PZ -0.00185 0.00856 0.00680 0.00422 0.00835 174 4XX -0.00055 0.00065 0.00147 0.00037 -0.00053 175 4YY -0.00015 0.00008 0.00150 0.00047 -0.00103 176 4ZZ -0.00041 -0.00025 -0.00242 -0.00082 0.00121 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 0.00010 -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 -0.00695 -0.01873 184 2PX 0.00160 -0.00359 0.01973 -0.02130 -0.01247 185 2PY -0.00502 0.00693 -0.01966 0.01450 0.01233 186 2PZ -0.00177 0.00437 -0.02070 0.01063 0.01574 187 3S -0.00154 -0.00127 0.03341 0.00501 -0.02242 188 3PX 0.00006 -0.00174 0.02747 -0.01897 -0.01915 189 3PY 0.00158 0.00048 -0.00401 -0.01356 -0.00617 190 3PZ -0.00375 0.00543 -0.03186 0.02256 0.01718 191 4XX -0.00036 0.00059 -0.00376 -0.00123 0.00193 192 4YY 0.00003 -0.00038 0.00210 0.00048 -0.00116 193 4ZZ 0.00000 0.00021 -0.00160 -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 -0.00233 0.02354 0.00594 199 22 C 1S -0.00071 0.00013 -0.00149 0.00043 0.00056 200 2S 0.00122 0.00021 0.00522 0.00150 -0.00145 201 2PX 0.00844 -0.01896 0.08498 0.00523 -0.07280 202 2PY -0.00103 0.00062 -0.00742 -0.00122 0.00586 203 2PZ -0.00466 0.00691 -0.03499 0.00060 0.02726 204 3S 0.00328 -0.00104 0.01300 -0.01907 -0.01107 205 3PX 0.00535 -0.01142 0.06737 0.00860 -0.06149 206 3PY -0.00050 0.00033 -0.01280 0.00154 0.01820 207 3PZ -0.00546 0.00757 -0.03797 0.00805 0.02940 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 -0.00057 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 0.01302 -0.00269 -0.01412 21 22 23 24 25 21 3S 0.55232 22 3PX 0.00104 0.14605 23 3PY 0.01285 0.00735 0.07150 24 3PZ 0.07387 -0.03721 -0.01105 0.11604 25 4XX -0.00898 0.00230 -0.00089 0.00164 0.00093 26 4YY -0.00621 -0.00092 0.00199 -0.00146 -0.00013 27 4ZZ -0.00269 -0.00287 -0.00270 -0.00254 0.00020 28 4XY -0.00210 -0.00018 0.00232 -0.00485 -0.00012 29 4XZ 0.00806 0.00193 -0.00230 -0.00125 -0.00015 30 4YZ 0.00550 -0.00461 -0.00064 -0.00387 -0.00037 31 3 C 1S 0.02147 -0.00201 0.01943 0.00470 -0.00240 32 2S -0.00342 0.01795 -0.03210 0.00732 0.00396 33 2PX -0.13525 -0.03627 0.06599 -0.07117 0.00421 34 2PY 0.11988 0.06383 0.01826 0.06105 0.00303 35 2PZ -0.11687 -0.09359 0.04988 -0.02878 -0.00344 36 3S -0.04748 0.01689 -0.01979 0.00297 0.00431 37 3PX 0.01866 0.01173 0.01055 -0.00365 0.00200 38 3PY -0.02521 0.00861 0.00082 -0.00393 0.00088 39 3PZ 0.00536 -0.01651 0.00061 0.00441 -0.00233 40 4XX 0.01387 -0.00442 -0.00077 0.00719 -0.00002 41 4YY -0.00701 0.00040 0.00247 -0.00313 -0.00022 42 4ZZ 0.00157 0.00298 0.00097 -0.00337 -0.00016 43 4XY -0.02525 -0.00198 0.00002 -0.00878 -0.00003 44 4XZ 0.00724 0.00090 -0.00159 -0.00092 -0.00012 45 4YZ -0.02372 -0.01027 -0.00039 -0.00046 0.00036 46 4 C 1S 0.02803 0.00960 -0.00596 0.00732 -0.00039 47 2S -0.06314 -0.02523 0.00648 -0.01698 0.00064 48 2PX 0.09763 0.02739 -0.02913 0.02462 0.00055 49 2PY 0.04056 0.00854 -0.01435 0.00733 -0.00118 50 2PZ 0.09606 0.04226 -0.02711 0.02495 -0.00423 51 3S -0.16553 -0.04543 0.00213 -0.03362 0.00109 52 3PX 0.04214 0.00801 -0.01548 0.01276 0.00077 53 3PY 0.00278 0.02154 -0.01961 0.01593 0.00052 54 3PZ 0.02883 0.01957 -0.01373 0.00808 -0.00192 55 4XX 0.00298 0.00012 -0.00080 0.00248 -0.00008 56 4YY -0.00007 -0.00159 -0.00049 -0.00109 -0.00012 57 4ZZ 0.00151 0.00286 0.00000 0.00016 0.00020 58 4XY -0.00442 -0.00247 0.00037 -0.00138 0.00010 59 4XZ 0.00138 0.00134 -0.00039 0.00144 0.00008 60 4YZ -0.00425 -0.00153 0.00134 -0.00175 0.00010 61 5 C 1S 0.00022 0.00489 0.00124 0.00211 0.00009 62 2S 0.00996 -0.01034 0.00062 -0.00037 -0.00038 63 2PX 0.00248 -0.01074 -0.00717 0.00081 0.00173 64 2PY 0.01056 0.00717 0.01008 0.00812 0.00077 65 2PZ 0.00268 0.01585 0.00564 -0.00926 -0.00148 66 3S 0.05835 -0.01861 0.02816 -0.00553 -0.00135 67 3PX 0.00944 -0.00920 -0.00496 0.00278 0.00083 68 3PY -0.02920 0.00114 -0.00257 0.00438 0.00068 69 3PZ 0.01404 0.01301 0.00678 -0.00467 -0.00089 70 4XX 0.00029 -0.00034 -0.00036 0.00064 -0.00003 71 4YY -0.00009 -0.00068 0.00035 0.00006 0.00000 72 4ZZ -0.00083 0.00049 -0.00012 -0.00039 0.00008 73 4XY -0.00418 -0.00124 0.00117 -0.00119 -0.00004 74 4XZ -0.00027 -0.00026 -0.00039 0.00029 0.00001 75 4YZ -0.00373 -0.00131 0.00137 -0.00151 0.00015 76 6 C 1S -0.01196 -0.00060 -0.00024 -0.00401 -0.00022 77 2S 0.00041 -0.00815 -0.01060 0.00425 0.00062 78 2PX 0.01407 0.01175 0.00920 0.00199 0.00028 79 2PY 0.07420 0.00272 0.04309 0.00672 -0.00015 80 2PZ 0.03483 0.00979 0.00219 0.01603 -0.00104 81 3S 0.01572 0.01214 -0.01291 -0.01253 0.00056 82 3PX -0.00106 0.00356 -0.00779 0.00653 0.00030 83 3PY -0.02640 -0.00173 -0.00919 -0.00437 0.00034 84 3PZ 0.02458 0.00870 -0.00260 0.00963 -0.00050 85 4XX -0.00367 -0.00373 -0.00483 0.00226 -0.00001 86 4YY 0.00454 0.00108 0.00468 -0.00093 -0.00015 87 4ZZ -0.00364 0.00183 -0.00038 -0.00147 0.00005 88 4XY -0.00539 -0.00152 -0.00473 0.00109 -0.00018 89 4XZ -0.00241 -0.00040 -0.00147 0.00043 0.00007 90 4YZ -0.00843 0.00429 -0.00301 -0.00287 0.00015 91 7 H 1S -0.04698 0.00652 -0.02109 0.00997 0.00135 92 2S -0.02017 0.01354 -0.01611 0.01770 0.00221 93 8 H 1S 0.11211 -0.03926 -0.03218 -0.08496 -0.00524 94 2S -0.00280 -0.03307 -0.02222 -0.07425 -0.00224 95 9 H 1S 0.04514 0.02151 -0.01478 0.01577 -0.00069 96 2S 0.08858 0.04110 -0.01264 0.03016 -0.00038 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 0.00202 -0.00422 -0.00139 -0.00516 -0.00033 100 2S -0.02016 0.00453 -0.00300 0.00341 0.00089 101 2PX 0.26809 0.00927 0.03054 0.08666 0.00461 102 2PY -0.11169 -0.05169 -0.02308 -0.05176 0.00097 103 2PZ 0.19639 0.05348 0.01926 -0.01450 -0.00524 104 3S 0.00361 0.01892 0.01020 0.01950 0.00005 105 3PX 0.19411 0.00359 0.01539 0.06568 0.00287 106 3PY -0.05636 -0.02917 -0.00973 -0.02470 0.00028 107 3PZ 0.14704 0.04799 0.01176 -0.01044 -0.00332 108 4XX 0.00019 -0.00029 -0.00040 0.00054 -0.00007 109 4YY -0.00637 -0.00270 -0.00204 -0.00303 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 -0.00168 0.00161 -0.00194 0.00184 0.00016 115 2S 0.01150 -0.00228 0.00806 -0.00317 -0.00031 116 2PX -0.11203 -0.01615 -0.09698 0.00945 -0.00021 117 2PY -0.07054 0.00333 -0.03528 -0.01027 0.00031 118 2PZ -0.09390 0.04197 -0.05297 -0.01826 0.00221 119 3S 0.01264 -0.00543 0.01079 0.00324 -0.00095 120 3PX -0.07837 -0.01432 -0.06899 0.00663 -0.00025 121 3PY -0.04086 0.00410 -0.02084 -0.00900 0.00042 122 3PZ -0.07314 0.02970 -0.03760 -0.01612 0.00175 123 4XX -0.00061 0.00012 -0.00017 -0.00056 0.00002 124 4YY 0.00289 -0.00032 0.00108 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 -0.02314 0.01914 0.00474 -0.01306 0.00239 131 2PX -0.03798 0.02765 0.00702 -0.02077 0.00532 132 2PY -0.01708 0.01352 -0.02065 -0.00321 -0.00217 133 2PZ 0.02275 0.00403 -0.00927 -0.00388 -0.00087 134 3S -0.03457 0.03149 0.00631 -0.02405 0.00227 135 3PX -0.01293 -0.00019 0.00292 -0.00530 0.00193 136 3PY 0.00064 0.00433 -0.00650 0.00196 -0.00087 137 3PZ 0.01408 -0.00487 -0.01108 -0.00357 -0.00094 138 4XX 0.00397 -0.00505 -0.00106 0.00355 -0.00032 139 4YY -0.00059 0.00242 -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 -0.02598 0.00819 0.00800 -0.00705 0.00146 145 2S -0.01280 0.00173 0.00087 -0.00645 0.00034 146 15 H 1S 0.02441 -0.02303 -0.00592 0.01597 -0.00286 147 2S 0.03524 -0.04943 -0.00927 0.03248 -0.00323 148 16 C 1S 0.01395 -0.00429 -0.00077 -0.00187 -0.00141 149 2S 0.00293 0.00446 0.01057 0.01156 0.00265 150 2PX 0.02584 -0.08701 -0.00039 0.06898 0.00059 151 2PY 0.02239 -0.01612 0.02027 0.00348 0.00179 152 2PZ -0.00316 0.05255 0.00051 -0.02783 -0.00455 153 3S 0.00039 0.01465 0.00925 0.01976 0.00317 154 3PX -0.00311 -0.05792 -0.00282 0.04285 0.00115 155 3PY -0.00353 0.00090 0.00836 -0.00153 0.00050 156 3PZ -0.00866 0.04243 -0.00176 -0.02065 -0.00255 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 -0.00042 -0.00047 0.00023 0.00095 -0.00005 161 4XZ -0.00461 0.00411 0.00217 -0.00177 0.00024 162 4YZ -0.00041 0.00150 -0.00073 -0.00035 -0.00015 163 17 H 1S -0.02220 0.01992 -0.00742 -0.00517 0.00065 164 2S -0.04323 0.02642 -0.00699 -0.01906 -0.00036 165 18 C 1S 0.00102 -0.00364 -0.00106 0.00376 0.00003 166 2S -0.00103 0.01387 0.00560 -0.00824 -0.00080 167 2PX -0.04087 0.01006 0.02333 -0.00628 0.00315 168 2PY -0.00489 -0.00168 -0.00179 0.00163 0.00050 169 2PZ 0.00990 -0.02545 -0.01585 0.00353 0.00071 170 3S 0.02344 -0.02849 0.01174 0.01373 -0.00010 171 3PX -0.03343 0.01787 0.01978 -0.00844 0.00205 172 3PY 0.00412 -0.00649 0.00428 0.00896 0.00083 173 3PZ 0.00325 0.00108 -0.01071 -0.00019 -0.00028 174 4XX 0.00005 0.00062 -0.00033 -0.00075 -0.00006 175 4YY -0.00174 0.00073 -0.00061 -0.00117 0.00003 176 4ZZ 0.00098 -0.00137 0.00064 0.00107 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 -0.00061 -0.00036 0.00154 -0.00010 180 19 H 1S -0.00219 -0.00585 0.00076 -0.00370 0.00076 181 2S -0.00115 -0.00752 0.00143 -0.00277 0.00104 182 20 C 1S 0.00298 -0.00715 -0.00013 0.00882 -0.00034 183 2S -0.02525 0.02161 -0.00871 -0.02309 0.00064 184 2PX -0.00813 0.02349 -0.01131 -0.01529 -0.00125 185 2PY 0.04043 -0.02178 0.02224 0.01288 -0.00065 186 2PZ -0.00102 -0.03432 0.01032 0.00852 0.00030 187 3S -0.01584 0.02722 -0.00052 -0.02744 0.00113 188 3PX 0.00387 0.02708 -0.00569 -0.01734 -0.00082 189 3PY 0.00446 -0.00508 -0.00401 -0.00058 -0.00052 190 3PZ 0.00932 -0.03302 0.01610 0.01289 0.00056 191 4XX 0.00161 -0.00212 -0.00141 0.00215 -0.00022 192 4YY 0.00088 0.00167 0.00167 -0.00096 0.00017 193 4ZZ -0.00023 -0.00207 -0.00056 0.00135 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 -0.00447 0.02549 0.00375 0.00050 199 22 C 1S 0.00626 0.00055 0.00176 0.00212 -0.00015 200 2S -0.01339 -0.00133 -0.00238 -0.00548 0.00036 201 2PX -0.03555 0.08381 0.01665 -0.05242 0.00045 202 2PY 0.00475 -0.01024 0.00150 0.00333 0.00025 203 2PZ 0.03422 -0.02329 -0.00438 0.02730 -0.00024 204 3S -0.02485 0.00946 -0.02374 -0.00871 -0.00125 205 3PX -0.02657 0.06245 0.01402 -0.04431 0.00021 206 3PY 0.00834 -0.01440 0.00543 0.01129 0.00058 207 3PZ 0.02361 -0.03104 0.00323 0.02222 0.00041 208 4XX 0.00125 -0.00076 0.00042 0.00083 -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 0.00007 0.00012 215 2S 0.00010 0.01576 -0.00160 -0.00601 -0.00012 26 27 28 29 30 26 4YY 0.00091 27 4ZZ -0.00025 0.00090 28 4XY 0.00001 0.00025 0.00093 29 4XZ -0.00030 0.00016 -0.00018 0.00064 30 4YZ -0.00011 0.00030 0.00036 0.00020 0.00124 31 3 C 1S 0.00050 -0.00068 0.00402 -0.00357 0.00331 32 2S -0.00236 0.00029 -0.00797 0.00742 -0.00642 33 2PX 0.00167 0.00028 0.00490 -0.00344 0.00771 34 2PY -0.00969 0.00009 -0.00037 0.00750 -0.00048 35 2PZ 0.00113 0.00747 0.00749 -0.00137 0.00269 36 3S -0.00247 0.00054 -0.00504 0.00458 -0.00689 37 3PX -0.00071 -0.00149 0.00040 -0.00047 0.00270 38 3PY 0.00095 -0.00166 -0.00196 0.00148 -0.00189 39 3PZ 0.00046 0.00201 0.00169 0.00021 -0.00071 40 4XX -0.00046 0.00006 0.00009 -0.00006 0.00036 41 4YY 0.00071 -0.00026 0.00010 -0.00037 -0.00013 42 4ZZ -0.00032 0.00030 0.00045 0.00017 0.00048 43 4XY 0.00025 0.00047 0.00043 0.00003 0.00014 44 4XZ -0.00028 0.00018 -0.00003 0.00047 0.00016 45 4YZ 0.00022 0.00019 -0.00011 -0.00028 0.00034 46 4 C 1S 0.00028 -0.00093 -0.00051 -0.00054 -0.00067 47 2S -0.00041 0.00206 0.00091 0.00115 0.00153 48 2PX 0.00210 -0.00550 -0.00208 -0.00325 -0.00057 49 2PY 0.00089 -0.00197 -0.00084 -0.00160 -0.00053 50 2PZ 0.00212 -0.00171 -0.00102 -0.00274 -0.00244 51 3S -0.00022 0.00383 0.00279 0.00020 0.00410 52 3PX 0.00135 -0.00316 -0.00183 -0.00128 -0.00108 53 3PY -0.00028 -0.00140 -0.00117 -0.00011 -0.00138 54 3PZ 0.00127 -0.00069 -0.00095 -0.00092 -0.00212 55 4XX -0.00005 0.00003 -0.00011 0.00006 -0.00018 56 4YY 0.00017 0.00001 0.00001 -0.00013 0.00005 57 4ZZ -0.00008 -0.00016 -0.00015 0.00012 -0.00007 58 4XY -0.00002 0.00016 0.00010 0.00011 0.00001 59 4XZ -0.00013 0.00000 -0.00014 0.00022 -0.00013 60 4YZ -0.00007 0.00020 0.00004 0.00014 0.00014 61 5 C 1S 0.00003 -0.00012 0.00046 0.00018 0.00034 62 2S -0.00002 -0.00005 -0.00115 -0.00027 -0.00088 63 2PX 0.00077 -0.00163 0.00110 -0.00095 0.00073 64 2PY -0.00106 0.00037 -0.00118 0.00105 -0.00165 65 2PZ 0.00026 0.00121 0.00109 0.00023 0.00147 66 3S -0.00021 0.00025 -0.00289 -0.00043 -0.00281 67 3PX 0.00043 -0.00093 0.00082 -0.00037 0.00092 68 3PY -0.00044 0.00008 -0.00150 0.00055 -0.00141 69 3PZ -0.00006 0.00063 0.00078 0.00024 0.00131 70 4XX 0.00002 0.00003 -0.00002 0.00003 0.00014 71 4YY -0.00004 0.00003 -0.00005 0.00002 -0.00001 72 4ZZ 0.00002 -0.00001 0.00015 -0.00001 -0.00001 73 4XY -0.00004 0.00018 0.00015 0.00009 0.00006 74 4XZ 0.00001 0.00001 0.00009 0.00003 0.00008 75 4YZ -0.00003 0.00003 0.00011 0.00008 0.00015 76 6 C 1S -0.00058 -0.00048 -0.00146 0.00009 -0.00140 77 2S 0.00103 0.00127 0.00307 -0.00021 0.00291 78 2PX -0.00161 -0.00123 -0.00261 -0.00062 -0.00607 79 2PY -0.00159 -0.00016 -0.00419 -0.00002 -0.00272 80 2PZ -0.00154 -0.00076 -0.00582 0.00081 -0.00216 81 3S -0.00024 0.00168 0.00285 0.00023 0.00373 82 3PX -0.00005 -0.00063 0.00023 -0.00051 -0.00150 83 3PY -0.00033 0.00095 -0.00143 0.00008 -0.00094 84 3PZ -0.00010 -0.00055 -0.00105 0.00024 0.00031 85 4XX 0.00004 0.00004 -0.00031 0.00008 0.00024 86 4YY 0.00012 -0.00029 0.00001 -0.00012 -0.00013 87 4ZZ -0.00003 0.00011 0.00007 0.00000 -0.00036 88 4XY 0.00022 0.00001 0.00013 0.00002 0.00049 89 4XZ 0.00013 0.00001 0.00008 -0.00001 -0.00011 90 4YZ 0.00023 -0.00009 0.00063 -0.00012 0.00006 91 7 H 1S 0.00186 0.00066 -0.00344 -0.00020 -0.00831 92 2S -0.00094 0.00114 -0.00371 0.00016 -0.00793 93 8 H 1S -0.00404 0.00768 0.00528 0.00574 0.01190 94 2S -0.00323 0.00734 0.00536 0.00340 0.01004 95 9 H 1S 0.00080 -0.00163 -0.00111 -0.00098 -0.00107 96 2S -0.00050 -0.00224 -0.00171 -0.00032 -0.00211 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 0.00753 -0.00258 -0.00534 -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 -0.00179 0.00207 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 -0.00003 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 0.00068 0.00299 121 3PY 0.00000 0.00037 0.00094 0.00009 0.00018 122 3PZ 0.00008 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 -0.00110 -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 -0.00046 -0.00053 0.00021 0.00063 -0.00077 145 2S -0.00027 0.00016 0.00012 0.00145 -0.00048 146 15 H 1S 0.00049 0.00086 -0.00055 0.00017 0.00099 147 2S 0.00067 0.00078 -0.00173 -0.00002 0.00182 148 16 C 1S -0.00017 -0.00029 -0.00080 0.00098 0.00075 149 2S -0.00115 -0.00051 0.00190 -0.00283 -0.00157 150 2PX -0.00207 0.00287 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 0.00247 0.00178 153 3S -0.00084 -0.00171 0.00171 -0.00430 -0.00277 154 3PX -0.00108 0.00164 0.00278 -0.00375 -0.00217 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 -0.00350 168 2PY 0.00034 -0.00014 0.00064 0.00027 -0.00022 169 2PZ 0.00110 -0.00183 -0.00156 0.00236 0.00090 170 3S -0.00093 0.00164 0.00126 -0.00030 0.00032 171 3PX -0.00092 0.00097 0.00391 -0.00405 -0.00288 172 3PY -0.00014 -0.00026 0.00067 -0.00061 -0.00123 173 3PZ 0.00100 -0.00148 -0.00232 0.00146 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 -0.00015 -0.00017 -0.00443 0.00205 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 -0.00011 -0.00015 0.00013 200 2S 0.00026 0.00032 0.00063 0.00009 -0.00075 201 2PX -0.00095 0.00077 0.00000 -0.00129 0.00125 202 2PY -0.00052 -0.00011 -0.00016 -0.00055 -0.00056 203 2PZ 0.00027 -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 31 32 33 34 35 31 3 C 1S 2.05392 32 2S -0.07106 0.35893 33 2PX 0.00042 -0.00234 0.35087 34 2PY -0.00316 0.00827 -0.01830 0.42510 35 2PZ 0.00113 -0.00373 0.07308 0.01264 0.35653 36 3S -0.14864 0.25178 -0.00325 0.04107 0.01454 37 3PX 0.00853 -0.00973 0.09900 0.02228 -0.04793 38 3PY -0.06260 0.08420 0.01338 -0.00903 -0.00453 39 3PZ -0.00688 0.00945 -0.04582 -0.01334 0.10197 40 4XX -0.01176 -0.01381 -0.00148 0.01381 -0.00164 41 4YY -0.01515 -0.00380 -0.00053 -0.01736 0.00106 42 4ZZ -0.01176 -0.01366 0.00081 0.01484 0.00237 43 4XY 0.00067 -0.00224 0.00093 0.00289 0.01475 44 4XZ -0.00267 0.00583 -0.00235 0.00756 0.00237 45 4YZ -0.00057 0.00148 0.01464 -0.00070 0.00226 46 4 C 1S 0.01383 -0.02710 -0.03907 -0.03448 -0.04763 47 2S -0.02918 0.05105 0.07865 0.06331 0.09861 48 2PX 0.03983 -0.08443 -0.04559 -0.08539 -0.16023 49 2PY 0.03691 -0.08187 -0.08838 -0.07495 -0.11630 50 2PZ 0.04795 -0.09906 -0.15468 -0.11512 -0.09800 51 3S 0.02212 -0.01059 0.10990 0.11830 0.11355 52 3PX -0.00570 -0.00460 -0.01433 -0.05512 -0.07365 53 3PY 0.01796 -0.02666 -0.05645 0.02136 -0.07147 54 3PZ -0.00328 -0.00868 -0.07120 -0.06944 -0.03648 55 4XX -0.00091 0.00121 -0.00657 0.00113 0.00086 56 4YY 0.00017 -0.00183 -0.00076 -0.00938 -0.00081 57 4ZZ -0.00245 0.00401 0.00278 0.00322 -0.00500 58 4XY -0.00338 0.00659 0.00293 0.00119 0.00755 59 4XZ -0.00322 0.00650 -0.00004 0.00705 0.00253 60 4YZ -0.00422 0.00805 0.00758 0.00099 0.00540 61 5 C 1S -0.00349 0.00919 0.00691 0.01004 0.00813 62 2S 0.00777 -0.01902 -0.01650 -0.02511 -0.02010 63 2PX -0.00387 0.00738 0.02273 0.01216 -0.00248 64 2PY -0.01409 0.03824 0.01791 0.03848 0.03016 65 2PZ -0.00387 0.01120 -0.00295 0.00589 0.01991 66 3S -0.01427 0.00310 -0.01200 -0.08120 0.00089 67 3PX 0.00462 -0.00323 0.00846 0.00896 0.00028 68 3PY -0.00054 0.01200 0.00213 0.04248 -0.00034 69 3PZ 0.00399 -0.00002 0.00434 0.00399 0.00249 70 4XX -0.00040 0.00101 0.00022 -0.00005 0.00083 71 4YY -0.00047 0.00098 0.00147 0.00208 0.00193 72 4ZZ -0.00030 0.00083 0.00081 0.00018 0.00036 73 4XY -0.00145 0.00300 0.00209 0.00330 0.00636 74 4XZ -0.00006 0.00028 0.00015 0.00055 0.00082 75 4YZ -0.00171 0.00347 0.00614 0.00469 0.00378 76 6 C 1S -0.00388 0.00590 0.00034 0.00832 0.00035 77 2S 0.00590 -0.01270 -0.00121 -0.02205 0.00222 78 2PX 0.00034 -0.00121 -0.02262 -0.00186 -0.01578 79 2PY -0.00832 0.02205 0.00186 0.02733 0.00027 80 2PZ 0.00035 0.00222 -0.01578 -0.00027 -0.02586 81 3S 0.01968 -0.02695 0.00129 -0.02665 -0.02064 82 3PX -0.00061 -0.00065 -0.00866 -0.00270 -0.00248 83 3PY -0.01745 0.02245 0.00196 -0.01004 0.00907 84 3PZ 0.00273 -0.00244 -0.00455 0.00303 -0.00810 85 4XX -0.00055 0.00082 0.00006 0.00004 0.00061 86 4YY -0.00043 -0.00026 0.00090 -0.00154 -0.00083 87 4ZZ -0.00058 0.00059 -0.00078 -0.00022 0.00022 88 4XY -0.00002 0.00018 0.00063 -0.00032 0.00268 89 4XZ 0.00016 -0.00003 -0.00021 0.00023 0.00011 90 4YZ -0.00014 -0.00009 0.00258 0.00057 0.00062 91 7 H 1S -0.00715 0.01651 -0.02617 0.01591 -0.01421 92 2S -0.00978 0.02054 -0.04145 0.02334 -0.02512 93 8 H 1S 0.01057 -0.02370 0.03594 -0.01178 0.02695 94 2S 0.01894 -0.03653 0.06586 0.00945 0.05523 95 9 H 1S 0.01118 -0.02464 -0.03222 -0.01466 -0.03619 96 2S 0.02051 -0.03682 -0.06361 0.00996 -0.06801 97 10 H 1S -0.00870 0.01984 0.02050 0.02158 0.02621 98 2S -0.01164 0.02370 0.03374 0.03193 0.04402 99 11 O 1S 0.01198 -0.01352 -0.00588 0.04791 0.00441 100 2S -0.02019 0.02283 0.01440 -0.10931 -0.01152 101 2PX 0.01445 -0.02845 0.19019 0.08793 -0.11282 102 2PY -0.10094 0.21650 0.08667 -0.37721 -0.06847 103 2PZ -0.00994 0.02130 -0.11513 -0.06617 0.18706 104 3S -0.01542 -0.03042 -0.00371 -0.02842 0.00359 105 3PX 0.00794 -0.01422 0.10943 0.04909 -0.08139 106 3PY -0.05778 0.11231 0.04669 -0.19831 -0.03865 107 3PZ -0.00549 0.01107 -0.08265 -0.03830 0.10517 108 4XX 0.00417 -0.00502 -0.00432 0.00412 0.00086 109 4YY -0.00877 0.01901 0.00786 -0.02077 -0.00615 110 4ZZ 0.00428 -0.00521 -0.00084 0.00477 0.00280 111 4XY 0.00201 -0.00380 0.01673 0.00677 -0.00289 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 -0.00277 118 2PZ -0.00017 -0.00162 0.01108 0.00277 -0.00525 119 3S 0.01076 -0.01491 -0.00148 0.01327 -0.00078 120 3PX -0.00074 0.00215 -0.00363 -0.00219 0.01308 121 3PY -0.00103 -0.00191 0.00165 -0.00863 -0.00317 122 3PZ -0.00015 -0.00170 0.01013 0.00196 -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 0.00307 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 -0.01973 0.01101 -0.00047 135 3PX 0.00108 0.00029 0.00327 0.00306 0.00234 136 3PY 0.00115 -0.00412 0.01020 -0.00115 -0.00150 137 3PZ 0.00135 0.00118 -0.00966 0.00389 0.01144 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 -0.00080 143 4YZ 0.00013 -0.00068 0.00046 -0.00054 0.00088 144 14 H 1S -0.00202 0.00337 -0.00309 0.00388 -0.00502 145 2S -0.00129 0.00424 -0.00711 0.00593 0.00249 146 15 H 1S 0.00151 -0.00432 -0.00005 -0.00482 0.00687 147 2S 0.00321 -0.00689 0.00474 -0.00783 0.01284 148 16 C 1S -0.00136 0.00288 -0.00431 0.00208 0.00038 149 2S 0.00374 -0.00716 0.01331 -0.00151 0.00081 150 2PX 0.00681 -0.02261 -0.00001 -0.01916 0.02886 151 2PY -0.00016 0.00132 -0.00716 -0.00124 0.00457 152 2PZ -0.00106 0.00430 0.00635 0.00369 -0.00974 153 3S -0.00551 0.00078 0.01957 -0.02223 -0.02710 154 3PX 0.00452 -0.01466 -0.00836 -0.01686 0.02212 155 3PY -0.00489 0.00249 0.00684 -0.00706 -0.01080 156 3PZ -0.00600 0.01128 -0.01184 0.00023 -0.01488 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 0.00020 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 0.01144 0.00064 -0.00600 164 2S -0.00093 -0.00124 0.00499 0.00274 -0.00140 165 18 C 1S -0.00144 0.00186 -0.00260 0.00071 0.00091 166 2S 0.00057 -0.00311 0.00899 -0.00406 -0.00565 167 2PX 0.00505 -0.02016 0.01801 -0.01263 0.00397 168 2PY -0.00048 0.00201 -0.00264 -0.00032 0.00264 169 2PZ -0.00281 0.00780 -0.01447 0.00577 -0.00470 170 3S 0.01617 -0.01800 0.01133 0.01253 0.01532 171 3PX 0.00430 -0.01439 0.01529 -0.00996 -0.00035 172 3PY 0.00231 -0.00205 -0.00805 0.00196 0.00251 173 3PZ -0.00812 0.01198 -0.00447 -0.00264 -0.01758 174 4XX -0.00101 0.00132 -0.00095 0.00036 0.00053 175 4YY -0.00047 0.00021 0.00059 0.00000 -0.00064 176 4ZZ 0.00002 -0.00051 0.00079 -0.00030 0.00014 177 4XY 0.00009 -0.00018 0.00118 0.00022 -0.00154 178 4XZ 0.00001 0.00031 0.00055 0.00038 -0.00114 179 4YZ 0.00000 0.00000 0.00017 -0.00016 0.00076 180 19 H 1S 0.00048 -0.00239 0.00079 -0.00049 -0.00467 181 2S 0.00108 -0.00237 -0.01013 0.00067 0.00536 182 20 C 1S 0.00044 -0.00078 -0.00151 -0.00140 0.00329 183 2S -0.00118 0.00248 -0.00039 0.00421 -0.00767 184 2PX -0.00336 0.01223 0.00014 0.01194 -0.02321 185 2PY 0.00147 -0.00461 0.00004 -0.00597 0.00955 186 2PZ 0.00165 -0.00575 -0.00476 -0.00572 0.01343 187 3S 0.00165 -0.00238 0.01535 0.00264 -0.00949 188 3PX -0.00215 0.00935 0.00055 0.01215 -0.01860 189 3PY -0.00072 0.00217 -0.00965 0.00503 0.00567 190 3PZ 0.00456 -0.01137 0.00859 -0.01035 0.01409 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 -0.00009 -0.00131 196 4YZ -0.00005 0.00007 0.00009 -0.00003 -0.00017 197 21 H 1S 0.00092 -0.00307 0.00210 -0.00300 0.00290 198 2S 0.00198 -0.00612 0.00549 -0.00822 0.00229 199 22 C 1S 0.00026 0.00003 0.00032 0.00025 0.00028 200 2S 0.00057 -0.00071 -0.00017 0.00070 -0.00099 201 2PX 0.00155 -0.00532 0.02101 0.00100 -0.02517 202 2PY -0.00040 -0.00009 -0.00287 0.00120 0.00180 203 2PZ -0.00026 0.00136 -0.00302 -0.00153 0.00754 204 3S -0.01012 0.01398 -0.01175 -0.00154 -0.00530 205 3PX 0.00148 -0.00494 0.01655 -0.00152 -0.01677 206 3PY 0.00247 -0.00264 -0.00430 0.00286 0.00215 207 3PZ 0.00419 -0.00569 0.00103 -0.00149 0.01206 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 -0.00021 -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 0.00309 0.00171 -0.00368 36 37 38 39 40 36 3S 0.22046 37 3PX -0.01066 0.05210 38 3PY 0.05836 -0.00019 0.03644 39 3PZ 0.01065 -0.03074 0.00021 0.05181 40 4XX -0.00733 0.00230 -0.00509 -0.00083 0.00204 41 4YY -0.00677 -0.00228 0.00275 0.00145 -0.00101 42 4ZZ -0.00691 0.00094 -0.00474 -0.00130 0.00091 43 4XY 0.00141 -0.00605 -0.00024 0.00187 -0.00044 44 4XZ 0.00402 -0.00075 0.00027 0.00118 0.00021 45 4YZ 0.00093 0.00162 0.00093 -0.00586 -0.00038 46 4 C 1S 0.00155 0.00432 -0.00260 0.00269 -0.00054 47 2S 0.02102 -0.00218 0.01619 0.00355 -0.00015 48 2PX -0.07705 0.01981 -0.03062 -0.02938 0.00969 49 2PY -0.06849 -0.01331 0.02401 -0.01285 -0.00174 50 2PZ -0.09856 -0.02027 -0.04406 0.00423 -0.00059 51 3S -0.01676 -0.00169 -0.01181 -0.01879 0.00149 52 3PX -0.00728 0.00873 -0.00089 -0.00977 0.00397 53 3PY -0.01595 -0.00263 0.00197 -0.01178 0.00083 54 3PZ -0.01572 -0.01209 -0.00761 0.00692 -0.00334 55 4XX 0.00127 -0.00188 -0.00112 0.00162 0.00007 56 4YY -0.00233 -0.00061 0.00081 0.00070 -0.00024 57 4ZZ 0.00308 0.00228 0.00013 -0.00214 0.00004 58 4XY 0.00723 -0.00076 0.00247 0.00271 -0.00017 59 4XZ 0.00411 -0.00013 0.00054 0.00049 0.00007 60 4YZ 0.00742 0.00185 0.00285 0.00086 -0.00058 61 5 C 1S 0.00151 0.00261 -0.00908 -0.00006 0.00031 62 2S -0.01517 -0.00756 0.01304 -0.00315 -0.00058 63 2PX 0.04151 0.01562 0.00702 0.01247 0.00548 64 2PY 0.05010 0.01002 -0.02558 0.00626 0.00179 65 2PZ 0.03064 0.01372 0.00148 0.01734 -0.00476 66 3S 0.00301 -0.01677 0.01776 0.00379 -0.00224 67 3PX 0.01007 0.00575 0.00140 0.00747 0.00389 68 3PY 0.01715 0.00019 -0.00892 -0.00830 0.00060 69 3PZ 0.00210 0.01165 -0.00174 0.00375 -0.00300 70 4XX 0.00082 0.00037 -0.00088 0.00037 0.00002 71 4YY 0.00027 0.00005 0.00058 0.00018 0.00003 72 4ZZ 0.00150 0.00048 -0.00062 0.00013 0.00004 73 4XY 0.00427 -0.00019 0.00167 0.00164 -0.00039 74 4XZ 0.00072 0.00029 -0.00009 0.00054 0.00003 75 4YZ 0.00508 0.00123 0.00213 0.00037 0.00003 76 6 C 1S 0.01968 -0.00061 0.01745 0.00273 -0.00055 77 2S -0.02695 -0.00065 -0.02245 -0.00244 0.00082 78 2PX 0.00129 -0.00866 -0.00196 -0.00455 0.00006 79 2PY 0.02665 0.00270 -0.01004 -0.00303 -0.00004 80 2PZ -0.02064 -0.00248 -0.00907 -0.00810 0.00061 81 3S -0.04381 0.00414 -0.02726 -0.01050 0.00111 82 3PX 0.00414 0.00236 0.00176 0.00550 0.00046 83 3PY 0.02726 -0.00176 0.00388 0.00459 -0.00090 84 3PZ -0.01050 0.00550 -0.00459 0.00352 0.00088 85 4XX 0.00111 0.00046 0.00090 0.00088 0.00038 86 4YY -0.00088 -0.00008 0.00105 -0.00032 -0.00026 87 4ZZ 0.00195 -0.00054 0.00055 -0.00002 -0.00026 88 4XY 0.00017 0.00203 0.00034 0.00242 -0.00014 89 4XZ 0.00079 -0.00007 -0.00008 0.00029 0.00012 90 4YZ 0.00182 0.00213 0.00039 0.00213 -0.00005 91 7 H 1S 0.03717 -0.01238 -0.00066 -0.00517 0.00091 92 2S 0.03359 -0.01506 -0.00190 -0.00805 0.00105 93 8 H 1S -0.03546 0.00774 -0.02341 -0.00017 0.00230 94 2S -0.03512 0.00881 -0.02089 -0.00287 0.00103 95 9 H 1S -0.04028 0.00039 -0.03063 -0.00822 0.00413 96 2S -0.04595 0.00196 -0.03041 -0.00900 0.00500 97 10 H 1S 0.04564 0.01161 0.00411 0.01357 -0.00006 98 2S 0.04649 0.01256 0.00530 0.01612 -0.00039 99 11 O 1S 0.03099 -0.00006 -0.00118 0.00036 0.00509 100 2S -0.07942 -0.00284 0.02826 0.00024 -0.01121 101 2PX -0.04191 0.13951 -0.00957 -0.04628 0.01353 102 2PY 0.15585 0.01121 0.06283 -0.01372 -0.01759 103 2PZ 0.01338 -0.04687 0.00230 0.13649 0.00004 104 3S -0.13613 -0.00641 0.02986 0.00447 -0.00940 105 3PX -0.02574 0.08945 -0.00683 -0.02801 0.00908 106 3PY 0.08293 0.00708 0.03556 -0.00798 -0.00908 107 3PZ 0.00579 -0.02802 0.00151 0.08695 0.00043 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 -0.00349 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 0.00040 0.00842 -0.00018 114 12 O 1S -0.00314 -0.00030 -0.00209 -0.00068 0.00011 115 2S 0.00508 0.00102 -0.00112 0.00025 -0.00031 116 2PX 0.00511 0.02022 0.00960 0.02681 -0.00055 117 2PY 0.00053 -0.00202 0.01968 0.00399 0.00035 118 2PZ 0.00701 0.02100 -0.00374 0.02330 0.00017 119 3S -0.00883 0.00035 0.00963 0.00138 0.00016 120 3PX 0.00386 0.01471 0.00585 0.01910 -0.00045 121 3PY 0.00400 -0.00089 0.00833 0.00150 0.00018 122 3PZ 0.00701 0.01461 -0.00103 0.01669 -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 0.00034 -0.00299 0.00119 0.00060 130 2S 0.01126 -0.00092 0.00447 -0.00560 -0.00134 131 2PX 0.00944 0.00365 0.00951 -0.00961 -0.00191 132 2PY -0.00537 0.00410 -0.00439 0.00894 0.00052 133 2PZ -0.01567 0.00577 -0.01060 0.00488 0.00015 134 3S 0.01218 -0.01278 0.00667 -0.00033 -0.00270 135 3PX 0.00063 0.00057 0.00629 -0.00307 -0.00058 136 3PY -0.00565 0.00635 -0.00402 0.00229 0.00076 137 3PZ -0.00655 -0.00405 -0.00372 0.00709 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 0.01481 -0.00504 0.01014 -0.00493 -0.00105 145 2S 0.01037 -0.00615 0.00917 0.00029 -0.00065 146 15 H 1S -0.00680 -0.00152 -0.00856 0.00455 0.00171 147 2S -0.01254 0.00032 -0.00979 0.00444 0.00337 148 16 C 1S 0.00674 -0.00416 -0.00115 0.00040 -0.00087 149 2S -0.01191 0.01172 -0.00821 -0.00203 0.00106 150 2PX -0.00049 -0.00407 -0.02700 0.00709 0.00745 151 2PY 0.00377 -0.00956 -0.00357 -0.00692 -0.00002 152 2PZ -0.01265 0.00329 -0.00012 0.00333 -0.00283 153 3S -0.00611 0.02019 -0.00773 -0.00772 0.00093 154 3PX 0.00241 -0.00865 -0.01541 0.00639 0.00439 155 3PY 0.00130 0.00146 -0.00093 -0.00806 -0.00056 156 3PZ -0.00286 -0.00266 0.00687 0.00152 -0.00317 157 4XX 0.00100 -0.00146 -0.00043 0.00094 0.00028 158 4YY 0.00012 0.00107 0.00055 -0.00042 -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 0.00123 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 0.00208 0.00122 -0.00034 164 2S -0.00409 0.00233 0.00432 0.00095 -0.00178 165 18 C 1S 0.00559 -0.00231 0.00034 0.00157 -0.00044 166 2S -0.00772 0.00404 -0.00210 -0.00273 -0.00012 167 2PX 0.01536 0.00010 -0.02409 -0.00829 0.00075 168 2PY -0.00410 -0.00316 0.00574 0.00007 -0.00001 169 2PZ 0.01048 -0.00310 0.01436 -0.00039 0.00045 170 3S -0.00791 0.00152 -0.00783 -0.00162 0.00274 171 3PX 0.00832 0.00171 -0.01633 -0.00653 -0.00036 172 3PY 0.00051 -0.00383 0.00022 0.00035 0.00042 173 3PZ 0.00184 0.00275 0.00988 -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 0.00744 0.00081 -0.00060 -0.00382 0.00036 181 2S 0.00910 -0.00500 -0.00064 0.00098 0.00006 182 20 C 1S -0.00331 -0.00017 -0.00103 0.00150 0.00055 183 2S 0.00737 0.00013 0.00454 -0.00123 -0.00108 184 2PX 0.00071 0.00367 0.00101 -0.01201 -0.00053 185 2PY -0.00438 -0.00481 -0.00080 0.00116 0.00033 186 2PZ 0.01389 -0.00874 0.00149 0.00149 0.00095 187 3S 0.00593 0.00859 0.00173 -0.00331 -0.00076 188 3PX -0.00116 0.00306 0.00134 -0.00777 -0.00047 189 3PY -0.00064 -0.00528 0.00141 0.00334 -0.00030 190 3PZ 0.00180 -0.00206 -0.00196 0.00037 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 -0.00028 196 4YZ 0.00004 0.00022 -0.00002 -0.00003 -0.00001 197 21 H 1S -0.00232 -0.00173 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 -0.00099 0.00841 -0.01536 -0.01440 -0.00348 202 2PY 0.01005 -0.00148 -0.00192 0.00094 0.00021 203 2PZ -0.01319 0.00252 0.00207 0.00671 0.00128 204 3S 0.00439 -0.00363 0.01006 0.00329 -0.00112 205 3PX -0.00077 0.00590 -0.00956 -0.01019 -0.00312 206 3PY 0.00562 -0.00265 -0.00179 -0.00049 0.00103 207 3PZ -0.00559 0.00009 0.00041 0.00389 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 0.00022 -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 0.00067 -0.00006 215 2S -0.00313 0.00357 -0.00160 0.00062 -0.00085 41 42 43 44 45 41 4YY 0.00224 42 4ZZ -0.00086 0.00197 43 4XY 0.00009 0.00059 0.00342 44 4XZ -0.00057 0.00027 0.00027 0.00061 45 4YZ -0.00005 0.00032 0.00139 -0.00036 0.00360 46 4 C 1S 0.00071 -0.00291 -0.00546 -0.00354 -0.00572 47 2S -0.00207 0.00428 0.01075 0.00629 0.01114 48 2PX 0.00088 -0.00516 -0.00358 0.00151 -0.01286 49 2PY 0.01239 -0.00676 -0.00571 -0.00607 -0.00486 50 2PZ 0.00138 0.00672 -0.01437 -0.00171 -0.00670 51 3S -0.00442 0.01154 0.02258 0.00535 0.02525 52 3PX 0.00101 -0.00619 -0.00123 0.00107 -0.00786 53 3PY 0.00173 -0.00027 -0.00038 -0.00157 -0.00003 54 3PZ 0.00098 0.00217 -0.00823 -0.00119 -0.00215 55 4XX -0.00019 0.00004 -0.00016 0.00003 -0.00032 56 4YY 0.00057 -0.00041 -0.00025 -0.00021 -0.00023 57 4ZZ -0.00034 0.00001 -0.00026 0.00008 -0.00006 58 4XY 0.00011 -0.00057 0.00067 0.00007 -0.00011 59 4XZ -0.00046 0.00022 0.00016 0.00045 0.00011 60 4YZ -0.00001 -0.00014 -0.00025 -0.00016 0.00054 61 5 C 1S -0.00177 0.00090 0.00013 0.00044 -0.00020 62 2S 0.00373 -0.00197 -0.00035 -0.00101 0.00046 63 2PX -0.00018 -0.00611 0.00667 0.00198 -0.00590 64 2PY -0.00904 0.00313 -0.00130 0.00134 -0.00186 65 2PZ -0.00136 0.00608 -0.00671 -0.00160 0.00373 66 3S 0.00431 -0.00542 -0.00595 -0.00194 -0.00601 67 3PX 0.00071 -0.00407 0.00492 0.00146 -0.00406 68 3PY -0.00334 0.00278 0.00371 0.00062 0.00491 69 3PZ -0.00025 0.00408 -0.00559 -0.00126 0.00251 70 4XX -0.00024 0.00009 -0.00013 0.00001 0.00001 71 4YY 0.00007 0.00006 0.00019 0.00013 0.00025 72 4ZZ -0.00022 0.00002 0.00002 0.00003 -0.00014 73 4XY -0.00004 0.00023 0.00010 -0.00009 0.00053 74 4XZ -0.00014 0.00003 -0.00004 0.00002 -0.00003 75 4YZ -0.00006 -0.00025 0.00062 0.00006 0.00021 76 6 C 1S -0.00043 -0.00058 0.00002 0.00016 0.00014 77 2S -0.00026 0.00059 -0.00018 -0.00003 0.00009 78 2PX 0.00090 -0.00078 -0.00063 -0.00021 -0.00258 79 2PY 0.00154 0.00022 -0.00032 -0.00023 0.00057 80 2PZ -0.00083 0.00022 -0.00268 0.00011 -0.00062 81 3S -0.00088 0.00195 -0.00017 0.00079 -0.00182 82 3PX -0.00008 -0.00054 -0.00203 -0.00007 -0.00213 83 3PY -0.00105 -0.00055 0.00034 0.00008 0.00039 84 3PZ -0.00032 -0.00002 -0.00242 0.00029 -0.00213 85 4XX -0.00026 -0.00026 0.00014 0.00012 0.00005 86 4YY 0.00060 -0.00023 0.00001 -0.00013 -0.00006 87 4ZZ -0.00023 0.00029 -0.00024 -0.00006 0.00009 88 4XY -0.00001 0.00024 -0.00037 -0.00008 0.00039 89 4XZ -0.00013 -0.00006 0.00008 0.00002 -0.00005 90 4YZ 0.00006 -0.00009 0.00039 0.00005 -0.00036 91 7 H 1S -0.00236 0.00004 -0.00068 -0.00013 0.00003 92 2S -0.00299 0.00016 -0.00217 0.00003 -0.00115 93 8 H 1S -0.00360 0.00647 0.00324 0.00507 -0.00014 94 2S -0.00277 0.00711 0.00740 0.00292 0.00560 95 9 H 1S -0.00416 0.00485 -0.00140 0.00429 -0.00181 96 2S -0.00355 0.00362 -0.00601 0.00271 -0.00710 97 10 H 1S -0.00227 0.00058 0.00075 0.00019 0.00039 98 2S -0.00284 0.00120 0.00266 0.00051 0.00176 99 11 O 1S -0.01296 0.00527 0.00272 0.00171 -0.00167 100 2S 0.02386 -0.01174 -0.00556 -0.00378 0.00334 101 2PX -0.00842 -0.00051 -0.04056 -0.00219 -0.01191 102 2PY 0.00551 -0.01941 -0.00818 -0.00442 0.00427 103 2PZ 0.00502 -0.00804 -0.01231 0.00464 -0.04301 104 3S 0.02828 -0.00949 -0.00452 -0.00377 0.00282 105 3PX -0.00563 -0.00100 -0.02889 -0.00156 -0.00907 106 3PY 0.00257 -0.01015 -0.00480 -0.00254 0.00229 107 3PZ 0.00333 -0.00537 -0.00940 0.00321 -0.03055 108 4XX -0.00048 0.00047 0.00048 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 -0.00158 -0.00014 -0.00005 112 4XZ -0.00029 0.00017 -0.00011 0.00002 0.00022 113 4YZ 0.00030 -0.00040 -0.00007 0.00025 -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 -0.00024 0.00320 121 3PY -0.00163 -0.00034 0.00081 0.00052 -0.00085 122 3PZ 0.00086 -0.00102 0.00288 0.00011 -0.00179 123 4XX -0.00005 -0.00006 0.00005 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 0.00005 -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 -0.00213 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 -0.00005 0.00028 139 4YY 0.00004 0.00008 0.00005 0.00000 -0.00012 140 4ZZ -0.00001 0.00010 0.00002 0.00005 -0.00015 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 0.00011 0.00017 0.00015 0.00011 -0.00071 145 2S -0.00032 0.00048 0.00034 0.00066 -0.00077 146 15 H 1S -0.00056 -0.00096 -0.00079 -0.00021 0.00127 147 2S -0.00096 -0.00171 -0.00141 -0.00031 0.00297 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 0.00590 151 2PY -0.00021 0.00031 -0.00016 0.00013 0.00065 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 -0.00174 0.00413 155 3PY 0.00053 -0.00028 0.00035 -0.00042 0.00134 156 3PZ 0.00151 0.00070 0.00208 0.00074 -0.00222 157 4XX -0.00015 -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 0.00031 -0.00043 -0.00049 164 2S 0.00151 0.00060 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 0.00117 172 3PY -0.00007 -0.00023 -0.00077 -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 -0.00051 0.00007 181 2S 0.00016 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 0.00009 -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 -0.00147 -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 0.00132 0.00224 0.00275 -0.00052 -0.00383 202 2PY -0.00029 -0.00015 -0.00023 -0.00008 0.00029 203 2PZ -0.00070 -0.00119 -0.00045 0.00029 0.00113 204 3S -0.00002 0.00012 0.00111 0.00096 -0.00040 205 3PX 0.00120 0.00213 0.00174 -0.00039 -0.00278 206 3PY -0.00041 -0.00051 -0.00075 -0.00030 0.00037 207 3PZ -0.00030 -0.00122 -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 -0.00037 215 2S -0.00016 0.00054 0.00076 0.00020 -0.00034 46 47 48 49 50 46 4 C 1S 2.05475 47 2S -0.06604 0.33271 48 2PX -0.00082 -0.00026 0.36087 49 2PY 0.00119 -0.00064 -0.00457 0.44126 50 2PZ -0.00081 -0.00124 0.05352 -0.00257 0.37298 51 3S -0.19825 0.31901 -0.04176 -0.08119 -0.03700 52 3PX 0.00560 -0.00115 0.19088 0.01352 -0.02198 53 3PY 0.00084 -0.00937 0.01064 0.12001 0.00623 54 3PZ 0.00403 0.00281 -0.02382 0.01053 0.18496 55 4XX -0.01487 -0.00867 -0.00093 -0.00815 0.00333 56 4YY -0.01819 -0.00058 0.00110 0.01162 0.00177 57 4ZZ -0.01597 -0.00658 0.00278 -0.01030 -0.00188 58 4XY 0.00144 -0.00268 -0.00222 0.00080 -0.01553 59 4XZ -0.00466 0.00944 0.00126 -0.01042 0.00193 60 4YZ 0.00151 -0.00291 -0.01563 0.00097 -0.00584 61 5 C 1S 0.01874 -0.03878 0.00146 -0.08564 0.00020 62 2S -0.03878 0.06964 -0.00049 0.17214 0.00090 63 2PX 0.00146 -0.00049 0.18195 0.00097 -0.13309 64 2PY 0.08564 -0.17214 -0.00097 -0.32373 -0.00235 65 2PZ 0.00020 0.00090 -0.13309 0.00235 0.14644 66 3S 0.02187 -0.01350 -0.01566 0.13313 -0.00215 67 3PX -0.00569 0.00624 0.11870 0.01180 -0.09375 68 3PY 0.00297 -0.01903 -0.01408 -0.09358 -0.01074 69 3PZ -0.00574 0.00391 -0.09191 0.01303 0.09555 70 4XX 0.00255 -0.00590 -0.00103 -0.00953 0.00151 71 4YY -0.00590 0.01036 -0.00027 0.00540 -0.00014 72 4ZZ 0.00277 -0.00634 0.00180 -0.01005 -0.00113 73 4XY 0.00005 0.00006 -0.01375 0.00124 -0.00080 74 4XZ 0.00086 -0.00198 -0.00037 -0.00297 0.00007 75 4YZ 0.00005 0.00011 -0.00051 0.00122 -0.01400 76 6 C 1S -0.00349 0.00777 -0.00387 0.01409 -0.00387 77 2S 0.00919 -0.01902 0.00738 -0.03824 0.01120 78 2PX 0.00691 -0.01650 0.02273 -0.01791 -0.00295 79 2PY -0.01004 0.02511 -0.01216 0.03848 -0.00589 80 2PZ 0.00813 -0.02010 -0.00248 -0.03016 0.01991 81 3S 0.00151 -0.01517 0.04151 -0.05010 0.03065 82 3PX 0.00261 -0.00756 0.01562 -0.01002 0.01372 83 3PY 0.00908 -0.01304 -0.00702 -0.02558 -0.00148 84 3PZ -0.00006 -0.00315 0.01247 -0.00626 0.01734 85 4XX 0.00031 -0.00058 0.00548 -0.00179 -0.00476 86 4YY -0.00177 0.00373 -0.00018 0.00904 -0.00136 87 4ZZ 0.00090 -0.00197 -0.00611 -0.00313 0.00608 88 4XY -0.00013 0.00035 -0.00667 -0.00130 0.00671 89 4XZ 0.00044 -0.00101 0.00198 -0.00134 -0.00160 90 4YZ 0.00020 -0.00046 0.00590 -0.00186 -0.00373 91 7 H 1S 0.00033 -0.00082 -0.00506 0.00627 0.00554 92 2S 0.00450 -0.00951 -0.00817 0.00166 0.01751 93 8 H 1S -0.00676 0.01538 -0.01995 -0.01010 -0.01908 94 2S -0.01404 0.02920 -0.05170 -0.02782 -0.04028 95 9 H 1S -0.06122 0.11759 0.15365 -0.14357 0.16807 96 2S -0.01072 0.02286 0.13455 -0.10702 0.14548 97 10 H 1S 0.01309 -0.02723 -0.01014 -0.04203 -0.01582 98 2S 0.01513 -0.02764 -0.02585 -0.07080 -0.03369 99 11 O 1S -0.00262 0.00603 -0.00090 -0.01097 -0.00321 100 2S 0.00744 -0.01598 0.00510 0.02452 0.01173 101 2PX 0.02042 -0.04346 0.01826 0.04718 0.04702 102 2PY 0.01439 -0.02500 0.02276 0.04178 0.03470 103 2PZ 0.02563 -0.04847 0.05102 0.06667 0.02836 104 3S 0.00088 -0.00180 -0.01481 0.06115 -0.00701 105 3PX 0.01696 -0.03698 0.01217 0.03989 0.04785 106 3PY 0.00678 -0.01174 0.00657 0.03510 0.01890 107 3PZ 0.02023 -0.03975 0.04765 0.05680 0.02097 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 -0.00333 0.01128 0.00081 116 2PX -0.00596 0.01177 -0.05741 0.01523 0.05198 117 2PY 0.00753 -0.01929 0.02071 -0.03204 -0.01184 118 2PZ -0.00948 0.01688 0.04710 0.03726 -0.03596 119 3S -0.00880 0.01871 -0.01045 0.04452 -0.00898 120 3PX -0.00455 0.00990 -0.04750 0.01235 0.03791 121 3PY 0.00579 -0.01473 0.01836 -0.02821 -0.00613 122 3PZ -0.00690 0.01331 0.03361 0.03051 -0.03141 123 4XX 0.00024 -0.00076 0.00152 -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 -0.00038 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 -0.00900 -0.00022 0.00799 132 2PY 0.00007 -0.00034 0.00132 -0.00046 -0.00057 133 2PZ -0.00084 0.00053 -0.00213 -0.00200 -0.00302 134 3S 0.00105 -0.00032 -0.00249 -0.00122 0.00198 135 3PX -0.00052 0.00317 -0.00808 -0.00309 0.00070 136 3PY 0.00007 -0.00023 0.00196 -0.00047 -0.00160 137 3PZ -0.00081 0.00310 -0.00515 -0.00282 -0.00593 138 4XX -0.00001 -0.00003 0.00149 -0.00002 -0.00167 139 4YY 0.00002 -0.00013 -0.00074 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 0.00058 -0.00039 -0.00332 0.00101 0.00593 145 2S 0.00016 0.00167 -0.00812 -0.00072 0.00504 146 15 H 1S -0.00036 -0.00030 0.00894 -0.00028 -0.00935 147 2S -0.00119 0.00240 0.01236 -0.00178 -0.01748 148 16 C 1S -0.00002 0.00075 -0.00164 -0.00059 -0.00001 149 2S 0.00021 -0.00014 -0.00115 -0.00040 0.00004 150 2PX 0.00035 -0.00333 0.01461 0.00008 -0.01274 151 2PY -0.00018 0.00000 -0.00208 -0.00064 0.00083 152 2PZ -0.00051 0.00313 -0.00162 -0.00039 0.00065 153 3S 0.00065 -0.00889 0.02336 0.01189 0.00350 154 3PX -0.00133 -0.00074 0.01831 0.00051 -0.01686 155 3PY -0.00160 0.00016 0.00700 -0.00052 -0.00324 156 3PZ 0.00020 0.00052 0.00237 0.00339 0.00702 157 4XX 0.00017 -0.00021 -0.00003 -0.00005 0.00009 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 0.00081 164 2S -0.00250 0.00459 -0.00039 -0.00597 -0.00843 165 18 C 1S -0.00067 0.00082 -0.00128 -0.00017 0.00110 166 2S 0.00024 -0.00194 0.00917 0.00086 -0.00684 167 2PX 0.00072 -0.01020 0.00236 -0.00183 -0.00119 168 2PY -0.00011 -0.00013 0.00073 -0.00249 0.00009 169 2PZ 0.00114 -0.00179 0.00499 0.00284 -0.00085 170 3S 0.00443 -0.00119 -0.01186 -0.00402 -0.00272 171 3PX 0.00233 -0.00798 -0.00608 -0.00166 0.00724 172 3PY 0.00122 -0.00080 -0.00306 0.00114 0.00787 173 3PZ 0.00011 -0.00124 0.01298 0.00514 -0.00561 174 4XX -0.00070 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 0.00124 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 -0.00018 -0.00024 -0.00011 180 19 H 1S 0.00075 -0.00345 0.00536 0.00208 -0.00256 181 2S 0.00050 -0.00161 -0.00392 -0.00049 0.00879 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 0.02579 0.00252 -0.01983 185 2PY -0.00033 0.00089 -0.00341 -0.00023 0.00265 186 2PZ -0.00011 0.00114 -0.00908 0.00018 0.00671 187 3S -0.00087 -0.00100 0.01157 0.00777 -0.00459 188 3PX 0.00059 -0.00090 0.02935 0.00286 -0.02289 189 3PY -0.00097 0.00397 -0.01021 -0.00153 0.00089 190 3PZ -0.00144 0.00243 -0.00619 0.00025 0.00400 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 0.00035 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 0.00048 -0.00156 0.00020 0.00079 200 2S 0.00045 -0.00070 0.00810 0.00038 -0.00594 201 2PX 0.00191 -0.01008 0.01235 -0.00054 -0.00387 202 2PY -0.00029 0.00138 -0.00181 0.00175 0.00045 203 2PZ -0.00070 0.00233 0.00343 -0.00091 -0.00553 204 3S -0.00052 -0.00040 -0.00409 -0.00411 0.00249 205 3PX 0.00110 -0.00698 0.00021 -0.00168 0.00629 206 3PY 0.00142 -0.00125 0.00360 0.00053 -0.00178 207 3PZ -0.00140 0.00303 0.00622 0.00126 -0.00715 208 4XX -0.00016 0.00027 -0.00139 0.00025 0.00083 209 4YY -0.00004 -0.00003 0.00084 0.00006 -0.00073 210 4ZZ 0.00002 -0.00006 0.00139 0.00022 -0.00129 211 4XY 0.00010 0.00025 0.00040 -0.00007 -0.00020 212 4XZ -0.00002 0.00005 -0.00070 -0.00008 0.00051 213 4YZ -0.00007 0.00003 0.00017 -0.00008 -0.00035 214 23 H 1S 0.00005 -0.00036 0.00599 -0.00008 -0.00539 215 2S -0.00007 -0.00003 -0.00293 -0.00144 0.00081 51 52 53 54 55 51 3S 0.46608 52 3PX -0.04111 0.11495 53 3PY 0.00958 0.00531 0.06208 54 3PZ -0.02634 -0.03309 0.00289 0.10581 55 4XX -0.00581 -0.00110 -0.00136 0.00140 0.00068 56 4YY -0.00444 0.00129 0.00140 0.00141 -0.00011 57 4ZZ -0.00348 0.00134 -0.00184 -0.00144 0.00043 58 4XY -0.00312 0.00157 -0.00016 -0.00725 0.00000 59 4XZ 0.00939 0.00028 -0.00238 0.00081 0.00005 60 4YZ -0.00300 -0.00725 -0.00046 -0.00010 -0.00001 61 5 C 1S 0.02187 -0.00569 -0.00297 -0.00574 0.00255 62 2S -0.01350 0.00624 0.01903 0.00391 -0.00590 63 2PX -0.01566 0.11870 0.01408 -0.09191 -0.00103 64 2PY -0.13313 -0.01180 -0.09358 -0.01303 0.00953 65 2PZ -0.00215 -0.09376 0.01074 0.09555 0.00151 66 3S -0.17236 0.00666 -0.03916 0.00735 -0.00369 67 3PX 0.00666 0.07766 0.01419 -0.06542 -0.00093 68 3PY 0.03916 -0.01419 -0.00714 -0.00933 0.00228 69 3PZ 0.00735 -0.06542 0.00933 0.06235 0.00048 70 4XX -0.00369 -0.00093 -0.00228 0.00048 0.00036 71 4YY 0.01092 0.00003 0.00234 0.00023 -0.00030 72 4ZZ -0.00489 0.00072 -0.00272 -0.00084 0.00031 73 4XY -0.00009 -0.00750 -0.00031 0.00179 0.00001 74 4XZ -0.00383 -0.00027 -0.00173 -0.00008 0.00006 75 4YZ -0.00048 0.00176 -0.00014 -0.00726 -0.00016 76 6 C 1S -0.01427 0.00462 0.00054 0.00399 -0.00040 77 2S 0.00310 -0.00323 -0.01200 -0.00002 0.00101 78 2PX -0.01200 0.00846 -0.00213 0.00434 0.00022 79 2PY 0.08120 -0.00896 0.04248 -0.00399 0.00005 80 2PZ 0.00089 0.00028 0.00034 0.00249 0.00083 81 3S 0.00301 0.01007 -0.01715 0.00210 0.00082 82 3PX -0.01677 0.00575 -0.00019 0.01165 0.00037 83 3PY -0.01776 -0.00140 -0.00892 0.00174 0.00088 84 3PZ 0.00379 0.00747 0.00830 0.00375 0.00037 85 4XX -0.00224 0.00389 -0.00060 -0.00300 0.00002 86 4YY 0.00431 0.00071 0.00334 -0.00025 -0.00024 87 4ZZ -0.00542 -0.00407 -0.00278 0.00408 0.00009 88 4XY 0.00595 -0.00492 0.00371 0.00559 0.00013 89 4XZ -0.00194 0.00146 -0.00062 -0.00126 0.00001 90 4YZ 0.00601 0.00406 0.00491 -0.00251 -0.00001 91 7 H 1S 0.00037 0.00046 0.00814 0.00626 0.00034 92 2S -0.02523 -0.00330 -0.00102 0.01185 0.00078 93 8 H 1S 0.03772 -0.01763 -0.01968 -0.01550 -0.00140 94 2S 0.07895 -0.03637 -0.01793 -0.02487 -0.00151 95 9 H 1S 0.11315 0.05492 -0.03375 0.06143 0.00092 96 2S 0.00684 0.04811 -0.02188 0.05033 0.00254 97 10 H 1S -0.04855 -0.00515 -0.01711 -0.00821 0.00094 98 2S -0.02074 -0.01250 -0.01629 -0.01495 0.00157 99 11 O 1S 0.00274 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 -0.01583 0.02899 -0.00331 102 2PY -0.12480 0.05297 -0.02888 0.06596 -0.00264 103 2PZ -0.26096 0.05729 -0.03933 0.01887 0.00201 104 3S 0.00600 -0.02351 0.00967 -0.02267 -0.00011 105 3PX -0.13208 0.00273 -0.00908 0.02915 -0.00181 106 3PY -0.06921 0.02643 -0.01229 0.03741 -0.00173 107 3PZ -0.18860 0.04555 -0.02177 0.01191 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 0.00030 -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 0.00004 -0.00003 -0.00003 113 4YZ -0.00843 0.00077 -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 0.06642 -0.04264 0.05363 0.05684 -0.00005 117 2PY -0.08437 0.02367 -0.03729 -0.00630 -0.00017 118 2PZ 0.12316 0.03777 0.09300 -0.02509 -0.00141 119 3S 0.00706 0.00404 0.01249 0.00442 -0.00125 120 3PX 0.05162 -0.03407 0.03876 0.04072 0.00000 121 3PY -0.04880 0.01655 -0.02336 -0.00442 0.00016 122 3PZ 0.08589 0.02749 0.06544 -0.01998 -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 0.00000 -0.00027 0.00051 0.00003 126 4XY -0.00144 0.00149 -0.00161 -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 -0.00342 -0.00234 0.00072 0.00437 -0.00015 131 2PX -0.00416 -0.00639 -0.00030 0.00778 -0.00052 132 2PY 0.00073 0.00292 0.00449 -0.00163 -0.00023 133 2PZ 0.00654 -0.00408 0.00043 -0.00312 -0.00011 134 3S -0.00075 -0.00166 0.00004 0.00022 -0.00002 135 3PX 0.00176 -0.00422 -0.00259 0.00216 -0.00027 136 3PY -0.00005 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 -0.00046 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 -0.00536 -0.00032 -0.00056 0.00525 -0.00004 145 2S -0.00462 -0.00194 -0.00153 0.00460 0.00003 146 15 H 1S 0.00565 0.00518 -0.00019 -0.00793 0.00034 147 2S 0.01003 0.00830 -0.00214 -0.01296 0.00040 148 16 C 1S -0.00126 0.00014 -0.00074 0.00039 0.00019 149 2S 0.00498 -0.00278 0.00307 -0.00075 -0.00021 150 2PX 0.01845 0.00937 0.00304 -0.01127 0.00100 151 2PY 0.00672 -0.00314 -0.00503 -0.00057 0.00036 152 2PZ 0.00009 0.00096 0.00206 -0.00210 -0.00037 153 3S -0.00706 0.01196 0.01151 0.00135 -0.00051 154 3PX 0.01882 0.01219 0.00465 -0.01293 0.00066 155 3PY 0.01220 0.00233 0.00267 -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 0.00067 -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 -0.00314 -0.00049 0.00400 0.00161 -0.00043 164 2S 0.01500 -0.00085 0.00447 -0.00467 -0.00032 165 18 C 1S 0.00018 -0.00130 0.00083 0.00068 -0.00044 166 2S 0.00323 0.00500 0.00108 -0.00537 0.00008 167 2PX 0.01652 -0.00603 0.00330 -0.00142 0.00030 168 2PY -0.00015 0.00068 -0.00213 -0.00067 0.00012 169 2PZ -0.01373 0.00401 -0.00246 0.00287 0.00021 170 3S 0.00624 -0.00825 -0.00463 -0.00218 0.00045 171 3PX 0.01181 -0.00948 0.00339 0.00421 0.00013 172 3PY -0.00131 -0.00274 0.00005 0.00445 0.00023 173 3PZ -0.00688 0.00938 0.00276 -0.00240 -0.00015 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 -0.00209 0.00178 0.00007 -0.00013 0.00017 181 2S -0.00421 -0.00429 -0.00222 0.00683 0.00036 182 20 C 1S 0.00184 -0.00031 0.00025 -0.00040 0.00015 183 2S -0.00719 -0.00094 -0.00096 0.00295 -0.00022 184 2PX -0.00660 0.01374 -0.00220 -0.01486 0.00010 185 2PY 0.00170 -0.00235 -0.00328 0.00137 0.00022 186 2PZ -0.00137 -0.00384 -0.00367 0.00709 0.00037 187 3S -0.00993 0.00471 0.00073 -0.00076 -0.00056 188 3PX -0.01119 0.01763 -0.00316 -0.01769 -0.00018 189 3PY 0.01058 -0.00530 0.00233 0.00072 0.00012 190 3PZ 0.00461 -0.00332 -0.00330 0.00351 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 -0.00116 -0.00338 -0.00217 0.00291 -0.00003 198 2S -0.00793 0.00215 -0.00715 -0.00104 0.00002 199 22 C 1S 0.00058 -0.00166 0.00047 0.00050 -0.00004 200 2S -0.00393 0.00674 -0.00165 -0.00322 0.00005 201 2PX 0.00213 -0.00130 0.00125 -0.00644 -0.00040 202 2PY -0.00203 0.00011 0.00017 0.00153 -0.00012 203 2PZ 0.00528 0.00457 0.00277 -0.00474 -0.00005 204 3S -0.00499 0.00073 -0.00023 0.00305 0.00020 205 3PX -0.00007 -0.00692 -0.00096 0.00193 -0.00031 206 3PY -0.00200 0.00269 -0.00022 -0.00093 0.00017 207 3PZ 0.00180 0.00522 -0.00115 -0.00461 0.00001 208 4XX 0.00044 -0.00087 0.00014 0.00056 0.00000 209 4YY 0.00036 0.00048 0.00008 -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 0.00006 0.00028 -0.00040 -0.00002 214 23 H 1S 0.00099 0.00435 0.00127 -0.00427 -0.00017 215 2S 0.00361 -0.00163 0.00254 -0.00051 -0.00022 56 57 58 59 60 56 4YY 0.00077 57 4ZZ -0.00020 0.00072 58 4XY 0.00002 0.00002 0.00111 59 4XZ -0.00033 0.00015 -0.00018 0.00067 60 4YZ 0.00003 0.00002 0.00054 -0.00020 0.00126 61 5 C 1S -0.00590 0.00277 -0.00005 0.00086 -0.00005 62 2S 0.01036 -0.00634 -0.00006 -0.00198 -0.00011 63 2PX -0.00027 0.00180 0.01375 -0.00037 0.00051 64 2PY -0.00540 0.01005 0.00124 0.00297 0.00122 65 2PZ -0.00014 -0.00113 0.00080 0.00007 0.01400 66 3S 0.01092 -0.00489 0.00009 -0.00383 0.00048 67 3PX 0.00003 0.00072 0.00750 -0.00027 -0.00176 68 3PY -0.00234 0.00272 -0.00031 0.00173 -0.00014 69 3PZ 0.00023 -0.00084 -0.00179 -0.00008 0.00726 70 4XX -0.00030 0.00031 -0.00001 0.00006 0.00016 71 4YY 0.00006 -0.00027 -0.00003 0.00017 0.00000 72 4ZZ -0.00027 0.00039 0.00014 0.00005 -0.00004 73 4XY 0.00003 -0.00014 0.00039 -0.00008 0.00095 74 4XZ 0.00017 0.00005 0.00008 0.00003 0.00010 75 4YZ 0.00000 0.00004 0.00095 -0.00010 0.00058 76 6 C 1S -0.00047 -0.00030 0.00145 -0.00006 0.00171 77 2S 0.00098 0.00083 -0.00300 0.00028 -0.00347 78 2PX 0.00147 0.00081 -0.00209 0.00015 -0.00614 79 2PY -0.00208 -0.00018 0.00330 -0.00055 0.00469 80 2PZ 0.00193 0.00036 -0.00636 0.00082 -0.00378 81 3S 0.00027 0.00150 -0.00427 0.00072 -0.00508 82 3PX 0.00005 0.00048 0.00019 0.00029 -0.00123 83 3PY -0.00058 0.00062 0.00167 0.00009 0.00213 84 3PZ 0.00018 0.00013 -0.00164 0.00054 -0.00037 85 4XX 0.00003 0.00004 0.00039 0.00003 -0.00003 86 4YY 0.00007 -0.00022 0.00004 -0.00014 0.00006 87 4ZZ 0.00006 0.00002 -0.00023 0.00003 0.00025 88 4XY -0.00019 -0.00002 0.00010 0.00004 0.00062 89 4XZ 0.00013 0.00003 0.00009 0.00002 -0.00006 90 4YZ -0.00025 0.00014 0.00053 0.00003 0.00021 91 7 H 1S -0.00001 0.00006 -0.00063 0.00015 -0.00074 92 2S 0.00004 0.00027 -0.00212 0.00046 -0.00182 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 -0.00280 0.00172 -0.00925 0.00829 -0.01053 96 2S -0.00257 0.00276 -0.00826 0.00527 -0.00943 97 10 H 1S 0.00165 0.00106 0.00675 0.00002 0.00725 98 2S -0.00100 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 0.00022 -0.00058 0.00081 101 2PX 0.00154 0.00339 -0.00635 -0.00099 0.00575 102 2PY 0.00785 0.00027 0.00163 -0.00364 0.00616 103 2PZ 0.00609 -0.00474 0.00598 -0.00110 -0.00164 104 3S 0.00165 -0.00071 -0.00010 -0.00031 -0.00025 105 3PX 0.00143 0.00204 -0.00472 -0.00084 0.00376 106 3PY 0.00448 -0.00020 0.00061 -0.00218 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 -0.00011 -0.00004 -0.00007 0.00000 -0.00009 111 4XY -0.00004 0.00022 -0.00023 -0.00003 0.00038 112 4XZ -0.00008 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 -0.00076 -0.00044 -0.00045 120 3PX 0.00020 -0.00093 0.00054 0.00005 0.00290 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 0.00002 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 0.00006 0.00031 -0.00020 0.00023 0.00013 145 2S 0.00027 0.00021 -0.00015 0.00038 0.00019 146 15 H 1S -0.00005 -0.00056 0.00035 -0.00030 -0.00022 147 2S 0.00014 -0.00073 0.00052 -0.00034 -0.00030 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 0.00039 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 -0.00015 -0.00030 -0.00005 0.00018 0.00012 166 2S -0.00001 0.00025 0.00024 -0.00038 -0.00024 167 2PX -0.00133 -0.00069 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 0.00023 172 3PY -0.00007 -0.00025 -0.00026 0.00007 -0.00008 173 3PZ 0.00023 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 -0.00001 0.00026 -0.00046 -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 0.00011 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 61 62 63 64 65 61 5 C 1S 2.05475 62 2S -0.06604 0.33271 63 2PX -0.00082 -0.00026 0.36087 64 2PY -0.00119 0.00064 0.00457 0.44126 65 2PZ -0.00081 -0.00124 0.05352 0.00257 0.37298 66 3S -0.19825 0.31901 -0.04176 0.08119 -0.03700 67 3PX 0.00560 -0.00115 0.19088 -0.01352 -0.02198 68 3PY -0.00084 0.00937 -0.01064 0.12001 -0.00623 69 3PZ 0.00403 0.00281 -0.02382 -0.01053 0.18496 70 4XX -0.01487 -0.00867 -0.00093 0.00815 0.00333 71 4YY -0.01819 -0.00058 0.00110 -0.01162 0.00177 72 4ZZ -0.01597 -0.00658 0.00278 0.01030 -0.00188 73 4XY -0.00144 0.00268 0.00222 0.00080 0.01553 74 4XZ -0.00466 0.00944 0.00126 0.01042 0.00193 75 4YZ -0.00151 0.00291 0.01563 0.00097 0.00584 76 6 C 1S 0.01383 -0.02918 0.03983 -0.03691 0.04795 77 2S -0.02710 0.05105 -0.08443 0.08187 -0.09905 78 2PX -0.03907 0.07865 -0.04559 0.08838 -0.15469 79 2PY 0.03448 -0.06331 0.08539 -0.07495 0.11512 80 2PZ -0.04763 0.09861 -0.16023 0.11630 -0.09800 81 3S 0.00155 0.02102 -0.07705 0.06849 -0.09856 82 3PX 0.00432 -0.00218 0.01981 0.01331 -0.02027 83 3PY 0.00260 -0.01619 0.03062 0.02401 0.04406 84 3PZ 0.00269 0.00355 -0.02938 0.01285 0.00423 85 4XX -0.00054 -0.00015 0.00969 0.00174 -0.00059 86 4YY 0.00071 -0.00207 0.00088 -0.01239 0.00138 87 4ZZ -0.00291 0.00428 -0.00516 0.00676 0.00672 88 4XY 0.00546 -0.01075 0.00358 -0.00571 0.01437 89 4XZ -0.00354 0.00629 0.00151 0.00607 -0.00171 90 4YZ 0.00572 -0.01114 0.01286 -0.00486 0.00670 91 7 H 1S -0.00676 0.01538 -0.01995 0.01010 -0.01908 92 2S -0.01404 0.02920 -0.05170 0.02782 -0.04028 93 8 H 1S 0.00033 -0.00082 -0.00506 -0.00627 0.00554 94 2S 0.00450 -0.00951 -0.00817 -0.00166 0.01751 95 9 H 1S 0.01309 -0.02723 -0.01014 0.04203 -0.01582 96 2S 0.01513 -0.02764 -0.02585 0.07080 -0.03369 97 10 H 1S -0.06122 0.11759 0.15365 0.14357 0.16807 98 2S -0.01072 0.02286 0.13455 0.10703 0.14548 99 11 O 1S 0.00124 -0.00301 0.00159 0.00565 0.00041 100 2S -0.00252 0.00586 -0.00333 -0.01128 0.00081 101 2PX -0.00596 0.01177 -0.05741 -0.01523 0.05198 102 2PY -0.00753 0.01929 -0.02071 -0.03204 0.01184 103 2PZ -0.00948 0.01688 0.04710 -0.03726 -0.03596 104 3S -0.00880 0.01871 -0.01045 -0.04452 -0.00898 105 3PX -0.00455 0.00990 -0.04750 -0.01235 0.03791 106 3PY -0.00579 0.01473 -0.01836 -0.02821 0.00613 107 3PZ -0.00690 0.01331 0.03361 -0.03051 -0.03141 108 4XX 0.00024 -0.00076 0.00152 0.00150 -0.00056 109 4YY 0.00020 -0.00018 -0.00079 0.00100 0.00123 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 -0.00090 0.01097 -0.00321 115 2S 0.00744 -0.01598 0.00511 -0.02452 0.01173 116 2PX 0.02042 -0.04347 0.01826 -0.04718 0.04702 117 2PY -0.01439 0.02500 -0.02276 0.04178 -0.03470 118 2PZ 0.02563 -0.04847 0.05102 -0.06667 0.02836 119 3S 0.00088 -0.00180 -0.01481 -0.06115 -0.00701 120 3PX 0.01696 -0.03698 0.01217 -0.03989 0.04785 121 3PY -0.00678 0.01174 -0.00657 0.03509 -0.01890 122 3PZ 0.02023 -0.03975 0.04765 -0.05680 0.02097 123 4XX 0.00023 -0.00050 0.00172 0.00140 0.00107 124 4YY 0.00065 -0.00117 0.00079 0.00143 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 -0.00900 0.00022 0.00799 132 2PY -0.00007 0.00034 -0.00132 -0.00046 0.00057 133 2PZ -0.00084 0.00053 -0.00213 0.00200 -0.00302 134 3S 0.00105 -0.00032 -0.00249 0.00122 0.00198 135 3PX -0.00052 0.00317 -0.00808 0.00309 0.00070 136 3PY -0.00007 0.00023 -0.00196 -0.00047 0.00160 137 3PZ -0.00081 0.00310 -0.00515 0.00282 -0.00593 138 4XX -0.00001 -0.00003 0.00149 0.00002 -0.00167 139 4YY 0.00002 -0.00013 -0.00074 -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 0.00058 -0.00039 -0.00332 -0.00101 0.00593 145 2S 0.00016 0.00167 -0.00812 0.00072 0.00504 146 15 H 1S -0.00036 -0.00030 0.00894 0.00028 -0.00935 147 2S -0.00119 0.00240 0.01236 0.00178 -0.01748 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 0.02579 -0.00252 -0.01983 151 2PY 0.00033 -0.00089 0.00341 -0.00023 -0.00265 152 2PZ -0.00011 0.00114 -0.00908 -0.00018 0.00671 153 3S -0.00087 -0.00100 0.01157 -0.00777 -0.00459 154 3PX 0.00059 -0.00090 0.02935 -0.00286 -0.02289 155 3PY 0.00097 -0.00397 0.01021 -0.00153 -0.00089 156 3PZ -0.00144 0.00243 -0.00619 -0.00025 0.00400 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 0.00048 -0.00156 -0.00020 0.00079 166 2S 0.00045 -0.00070 0.00810 -0.00038 -0.00594 167 2PX 0.00191 -0.01008 0.01235 0.00054 -0.00387 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 -0.00409 0.00411 0.00249 171 3PX 0.00110 -0.00698 0.00021 0.00168 0.00629 172 3PY -0.00142 0.00125 -0.00360 0.00053 0.00178 173 3PZ -0.00140 0.00303 0.00622 -0.00126 -0.00715 174 4XX -0.00016 0.00027 -0.00139 -0.00025 0.00083 175 4YY -0.00004 -0.00003 0.00084 -0.00006 -0.00073 176 4ZZ 0.00002 -0.00006 0.00139 -0.00022 -0.00129 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 0.00599 0.00008 -0.00538 181 2S -0.00007 -0.00003 -0.00293 0.00144 0.00081 182 20 C 1S -0.00002 0.00075 -0.00164 0.00059 -0.00001 183 2S 0.00021 -0.00014 -0.00115 0.00040 0.00004 184 2PX 0.00035 -0.00333 0.01461 -0.00008 -0.01274 185 2PY 0.00018 0.00000 0.00208 -0.00064 -0.00083 186 2PZ -0.00051 0.00313 -0.00162 0.00039 0.00065 187 3S 0.00065 -0.00889 0.02336 -0.01189 0.00350 188 3PX -0.00133 -0.00074 0.01831 -0.00051 -0.01686 189 3PY 0.00160 -0.00016 -0.00700 -0.00052 0.00324 190 3PZ 0.00019 0.00052 0.00237 -0.00339 0.00702 191 4XX 0.00017 -0.00021 -0.00003 0.00005 0.00009 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 0.00081 198 2S -0.00250 0.00460 -0.00039 0.00597 -0.00843 199 22 C 1S -0.00067 0.00082 -0.00128 0.00017 0.00110 200 2S 0.00024 -0.00194 0.00917 -0.00086 -0.00684 201 2PX 0.00072 -0.01020 0.00236 0.00183 -0.00119 202 2PY 0.00011 0.00013 -0.00073 -0.00249 -0.00009 203 2PZ 0.00114 -0.00179 0.00499 -0.00284 -0.00085 204 3S 0.00443 -0.00119 -0.01186 0.00402 -0.00272 205 3PX 0.00233 -0.00798 -0.00608 0.00166 0.00724 206 3PY -0.00122 0.00080 0.00306 0.00114 -0.00787 207 3PZ 0.00011 -0.00124 0.01298 -0.00514 -0.00561 208 4XX -0.00070 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 0.00124 -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 0.00018 -0.00024 0.00011 214 23 H 1S 0.00075 -0.00345 0.00536 -0.00208 -0.00256 215 2S 0.00050 -0.00161 -0.00392 0.00049 0.00879 66 67 68 69 70 66 3S 0.46608 67 3PX -0.04111 0.11495 68 3PY -0.00958 -0.00531 0.06208 69 3PZ -0.02634 -0.03309 -0.00289 0.10581 70 4XX -0.00581 -0.00110 0.00136 0.00140 0.00068 71 4YY -0.00444 0.00129 -0.00140 0.00141 -0.00011 72 4ZZ -0.00348 0.00134 0.00184 -0.00144 0.00043 73 4XY 0.00312 -0.00157 -0.00016 0.00725 0.00000 74 4XZ 0.00939 0.00028 0.00238 0.00081 0.00005 75 4YZ 0.00300 0.00725 -0.00046 0.00010 0.00001 76 6 C 1S 0.02212 -0.00570 -0.01796 -0.00328 -0.00091 77 2S -0.01059 -0.00460 0.02666 -0.00868 0.00121 78 2PX 0.10990 -0.01433 0.05645 -0.07120 -0.00657 79 2PY -0.11830 0.05512 0.02136 0.06944 -0.00113 80 2PZ 0.11355 -0.07365 0.07147 -0.03648 0.00087 81 3S -0.01676 -0.00728 0.01595 -0.01572 0.00127 82 3PX -0.00169 0.00873 0.00263 -0.01209 -0.00188 83 3PY 0.01181 0.00089 0.00197 0.00761 0.00112 84 3PZ -0.01879 -0.00977 0.01178 0.00692 0.00162 85 4XX 0.00149 0.00397 -0.00083 -0.00334 0.00007 86 4YY -0.00442 0.00101 -0.00173 0.00098 -0.00019 87 4ZZ 0.01154 -0.00619 0.00027 0.00217 0.00004 88 4XY -0.02258 0.00123 -0.00038 0.00823 0.00016 89 4XZ 0.00535 0.00107 0.00157 -0.00119 0.00003 90 4YZ -0.02525 0.00786 -0.00003 0.00215 0.00032 91 7 H 1S 0.03772 -0.01763 0.01968 -0.01550 -0.00140 92 2S 0.07895 -0.03637 0.01793 -0.02487 -0.00151 93 8 H 1S 0.00037 0.00046 -0.00814 0.00626 0.00034 94 2S -0.02523 -0.00330 0.00102 0.01186 0.00078 95 9 H 1S -0.04855 -0.00515 0.01711 -0.00821 0.00094 96 2S -0.02074 -0.01250 0.01629 -0.01495 0.00157 97 10 H 1S 0.11315 0.05492 0.03375 0.06143 0.00092 98 2S 0.00684 0.04811 0.02188 0.05033 0.00254 99 11 O 1S -0.00147 -0.00227 0.00255 -0.00345 0.00013 100 2S 0.01265 0.00259 -0.00827 0.00673 -0.00011 101 2PX 0.06642 -0.04264 -0.05363 0.05684 -0.00005 102 2PY 0.08437 -0.02367 -0.03729 0.00630 0.00017 103 2PZ 0.12316 0.03777 -0.09300 -0.02509 -0.00141 104 3S 0.00706 0.00404 -0.01249 0.00442 -0.00125 105 3PX 0.05162 -0.03407 -0.03876 0.04072 0.00000 106 3PY 0.04880 -0.01655 -0.02336 0.00442 -0.00016 107 3PZ 0.08589 0.02749 -0.06544 -0.01998 -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 0.00000 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 0.00274 0.00563 0.00053 0.00520 -0.00017 115 2S -0.01889 -0.00598 0.00586 -0.00411 0.00037 116 2PX -0.17238 0.00432 0.01584 0.02899 -0.00331 117 2PY 0.12480 -0.05297 -0.02888 -0.06596 0.00264 118 2PZ -0.26096 0.05729 0.03933 0.01887 0.00201 119 3S 0.00600 -0.02351 -0.00967 -0.02267 -0.00011 120 3PX -0.13208 0.00273 0.00908 0.02915 -0.00181 121 3PY 0.06921 -0.02643 -0.01230 -0.03741 0.00173 122 3PZ -0.18860 0.04555 0.02177 0.01191 0.00118 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 0.00030 -0.00068 0.00028 0.00021 0.00006 126 4XY 0.00287 0.00079 -0.00169 0.00129 0.00029 127 4XZ 0.00127 0.00005 -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 -0.00072 0.00437 -0.00015 131 2PX -0.00416 -0.00639 0.00030 0.00778 -0.00052 132 2PY -0.00073 -0.00292 0.00449 0.00163 0.00023 133 2PZ 0.00654 -0.00408 -0.00043 -0.00312 -0.00011 134 3S -0.00076 -0.00166 -0.00004 0.00022 -0.00002 135 3PX 0.00176 -0.00422 0.00259 0.00216 -0.00027 136 3PY 0.00005 -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 -0.00046 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 -0.00536 -0.00032 0.00056 0.00525 -0.00004 145 2S -0.00462 -0.00194 0.00153 0.00460 0.00003 146 15 H 1S 0.00565 0.00518 0.00019 -0.00793 0.00034 147 2S 0.01003 0.00830 0.00214 -0.01296 0.00040 148 16 C 1S 0.00184 -0.00031 -0.00025 -0.00040 0.00015 149 2S -0.00719 -0.00094 0.00096 0.00295 -0.00022 150 2PX -0.00660 0.01374 0.00220 -0.01486 0.00010 151 2PY -0.00170 0.00235 -0.00328 -0.00137 -0.00022 152 2PZ -0.00137 -0.00384 0.00367 0.00709 0.00037 153 3S -0.00993 0.00471 -0.00073 -0.00076 -0.00056 154 3PX -0.01119 0.01763 0.00316 -0.01769 -0.00018 155 3PY -0.01058 0.00530 0.00233 -0.00072 -0.00012 156 3PZ 0.00461 -0.00332 0.00330 0.00351 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 -0.00008 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 -0.00116 -0.00338 0.00217 0.00291 -0.00003 164 2S -0.00793 0.00215 0.00715 -0.00104 0.00002 165 18 C 1S 0.00058 -0.00166 -0.00047 0.00050 -0.00004 166 2S -0.00393 0.00674 0.00165 -0.00322 0.00005 167 2PX 0.00213 -0.00130 -0.00125 -0.00644 -0.00040 168 2PY 0.00203 -0.00011 0.00017 -0.00153 0.00012 169 2PZ 0.00528 0.00457 -0.00277 -0.00474 -0.00005 170 3S -0.00499 0.00073 0.00023 0.00305 0.00020 171 3PX -0.00007 -0.00692 0.00096 0.00193 -0.00031 172 3PY 0.00200 -0.00269 -0.00022 0.00093 -0.00017 173 3PZ 0.00180 0.00522 0.00115 -0.00461 0.00001 174 4XX 0.00044 -0.00087 -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 -0.00003 0.00045 -0.00002 179 4YZ -0.00078 -0.00006 0.00028 0.00040 0.00002 180 19 H 1S 0.00099 0.00435 -0.00127 -0.00427 -0.00017 181 2S 0.00361 -0.00163 -0.00254 -0.00051 -0.00022 182 20 C 1S -0.00126 0.00014 0.00074 0.00039 0.00019 183 2S 0.00498 -0.00278 -0.00307 -0.00075 -0.00021 184 2PX 0.01845 0.00937 -0.00304 -0.01127 0.00100 185 2PY -0.00672 0.00314 -0.00503 0.00057 -0.00036 186 2PZ 0.00009 0.00096 -0.00206 -0.00210 -0.00037 187 3S -0.00706 0.01196 -0.01151 0.00135 -0.00051 188 3PX 0.01882 0.01219 -0.00465 -0.01293 0.00066 189 3PY -0.01220 -0.00233 0.00267 0.00219 0.00005 190 3PZ -0.00543 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 0.00067 -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 -0.00314 -0.00049 -0.00400 0.00161 -0.00043 198 2S 0.01501 -0.00085 -0.00447 -0.00467 -0.00032 199 22 C 1S 0.00018 -0.00130 -0.00083 0.00068 -0.00044 200 2S 0.00323 0.00500 -0.00108 -0.00537 0.00008 201 2PX 0.01651 -0.00603 -0.00330 -0.00142 0.00030 202 2PY 0.00015 -0.00068 -0.00213 0.00067 -0.00012 203 2PZ -0.01373 0.00401 0.00246 0.00287 0.00021 204 3S 0.00624 -0.00825 0.00463 -0.00218 0.00045 205 3PX 0.01181 -0.00948 -0.00339 0.00421 0.00013 206 3PY 0.00131 0.00274 0.00005 -0.00445 -0.00023 207 3PZ -0.00688 0.00938 -0.00276 -0.00240 -0.00015 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 -0.00209 0.00178 -0.00007 -0.00013 0.00017 215 2S -0.00421 -0.00429 0.00222 0.00683 0.00036 71 72 73 74 75 71 4YY 0.00077 72 4ZZ -0.00020 0.00072 73 4XY -0.00002 -0.00002 0.00111 74 4XZ -0.00033 0.00015 0.00018 0.00067 75 4YZ -0.00003 -0.00002 0.00054 0.00020 0.00126 76 6 C 1S 0.00017 -0.00245 0.00338 -0.00322 0.00422 77 2S -0.00183 0.00401 -0.00659 0.00650 -0.00805 78 2PX -0.00076 0.00278 -0.00293 -0.00004 -0.00758 79 2PY 0.00938 -0.00322 0.00119 -0.00705 0.00099 80 2PZ -0.00081 -0.00500 -0.00755 0.00253 -0.00540 81 3S -0.00233 0.00308 -0.00723 0.00411 -0.00742 82 3PX -0.00061 0.00228 0.00076 -0.00013 -0.00185 83 3PY -0.00081 -0.00013 0.00247 -0.00054 0.00285 84 3PZ 0.00070 -0.00214 -0.00271 0.00049 -0.00086 85 4XX -0.00024 0.00004 0.00017 0.00007 0.00058 86 4YY 0.00057 -0.00034 -0.00011 -0.00046 0.00001 87 4ZZ -0.00041 0.00001 0.00057 0.00022 0.00014 88 4XY 0.00025 0.00026 0.00067 -0.00016 -0.00025 89 4XZ -0.00021 0.00008 -0.00007 0.00045 0.00016 90 4YZ 0.00023 0.00006 -0.00011 -0.00011 0.00054 91 7 H 1S 0.00085 -0.00086 -0.00076 -0.00119 -0.00131 92 2S -0.00036 -0.00080 -0.00123 -0.00077 -0.00249 93 8 H 1S -0.00001 0.00006 0.00063 0.00015 0.00074 94 2S 0.00004 0.00027 0.00212 0.00046 0.00182 95 9 H 1S 0.00165 0.00106 -0.00675 0.00002 -0.00725 96 2S -0.00100 0.00187 -0.00672 0.00048 -0.00709 97 10 H 1S -0.00280 0.00172 0.00925 0.00829 0.01053 98 2S -0.00257 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 -0.00085 -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 -0.00054 0.00005 -0.00290 106 3PY -0.00029 -0.00049 -0.00039 -0.00040 -0.00122 107 3PZ -0.00007 -0.00058 -0.00263 -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 0.00154 0.00339 0.00635 -0.00099 -0.00575 117 2PY -0.00785 -0.00027 0.00163 0.00364 0.00616 118 2PZ 0.00609 -0.00474 -0.00598 -0.00110 0.00164 119 3S 0.00165 -0.00071 0.00010 -0.00031 0.00025 120 3PX 0.00143 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 -0.00002 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 0.00006 0.00031 0.00020 0.00023 -0.00013 145 2S 0.00027 0.00021 0.00015 0.00038 -0.00019 146 15 H 1S -0.00005 -0.00056 -0.00035 -0.00030 0.00022 147 2S 0.00014 -0.00073 -0.00052 -0.00034 0.00030 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 0.00002 -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 -0.00040 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 0.00039 -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 -0.00015 -0.00030 0.00005 0.00018 -0.00012 200 2S -0.00001 0.00025 -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 -0.00006 -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 -0.00023 206 3PY 0.00007 0.00025 -0.00026 -0.00007 -0.00008 207 3PZ 0.00023 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 -0.00001 -0.00026 -0.00046 0.00036 215 2S -0.00027 -0.00027 0.00003 -0.00016 0.00032 76 77 78 79 80 76 6 C 1S 2.05392 77 2S -0.07106 0.35893 78 2PX 0.00042 -0.00234 0.35087 79 2PY 0.00316 -0.00827 0.01830 0.42510 80 2PZ 0.00113 -0.00373 0.07308 -0.01264 0.35653 81 3S -0.14864 0.25178 -0.00325 -0.04107 0.01454 82 3PX 0.00852 -0.00973 0.09900 -0.02228 -0.04793 83 3PY 0.06260 -0.08420 -0.01338 -0.00903 0.00452 84 3PZ -0.00688 0.00945 -0.04582 0.01334 0.10197 85 4XX -0.01176 -0.01381 -0.00148 -0.01381 -0.00164 86 4YY -0.01515 -0.00380 -0.00053 0.01736 0.00106 87 4ZZ -0.01176 -0.01366 0.00081 -0.01484 0.00237 88 4XY -0.00067 0.00224 -0.00093 0.00289 -0.01475 89 4XZ -0.00267 0.00583 -0.00235 -0.00756 0.00237 90 4YZ 0.00057 -0.00148 -0.01464 -0.00070 -0.00226 91 7 H 1S 0.01057 -0.02370 0.03594 0.01178 0.02695 92 2S 0.01894 -0.03653 0.06586 -0.00945 0.05523 93 8 H 1S -0.00715 0.01651 -0.02617 -0.01591 -0.01421 94 2S -0.00978 0.02054 -0.04145 -0.02334 -0.02512 95 9 H 1S -0.00870 0.01984 0.02050 -0.02158 0.02621 96 2S -0.01164 0.02370 0.03374 -0.03193 0.04402 97 10 H 1S 0.01118 -0.02464 -0.03222 0.01466 -0.03619 98 2S 0.02051 -0.03682 -0.06361 -0.00997 -0.06801 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 -0.00162 0.01108 -0.00277 -0.00525 104 3S 0.01076 -0.01491 -0.00148 -0.01327 -0.00078 105 3PX -0.00074 0.00215 -0.00363 0.00219 0.01308 106 3PY 0.00103 0.00191 -0.00165 -0.00863 0.00317 107 3PZ -0.00015 -0.00170 0.01013 -0.00196 -0.00158 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 0.00061 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 -0.00588 -0.04791 0.00441 115 2S -0.02019 0.02283 0.01440 0.10931 -0.01152 116 2PX 0.01445 -0.02845 0.19019 -0.08792 -0.11282 117 2PY 0.10094 -0.21650 -0.08666 -0.37721 0.06847 118 2PZ -0.00994 0.02130 -0.11513 0.06616 0.18706 119 3S -0.01542 -0.03042 -0.00371 0.02842 0.00359 120 3PX 0.00794 -0.01422 0.10943 -0.04908 -0.08139 121 3PY 0.05778 -0.11231 -0.04669 -0.19831 0.03865 122 3PZ -0.00549 0.01107 -0.08265 0.03830 0.10517 123 4XX 0.00417 -0.00502 -0.00432 -0.00412 0.00086 124 4YY -0.00877 0.01901 0.00786 0.02077 -0.00615 125 4ZZ 0.00428 -0.00521 -0.00084 -0.00477 0.00280 126 4XY -0.00201 0.00380 -0.01673 0.00677 0.00289 127 4XZ 0.00018 -0.00046 0.00202 -0.00184 -0.00265 128 4YZ 0.00135 -0.00243 0.00293 -0.00488 -0.01710 129 13 C 1S 0.00064 -0.00136 0.00061 0.00150 0.00307 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 -0.01973 -0.01101 -0.00047 135 3PX 0.00108 0.00029 0.00327 -0.00306 0.00234 136 3PY -0.00115 0.00412 -0.01020 -0.00115 0.00150 137 3PZ 0.00135 0.00118 -0.00966 -0.00389 0.01144 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 -0.00080 143 4YZ -0.00013 0.00068 -0.00046 -0.00054 -0.00088 144 14 H 1S -0.00202 0.00337 -0.00309 -0.00388 -0.00502 145 2S -0.00129 0.00424 -0.00711 -0.00593 0.00249 146 15 H 1S 0.00151 -0.00432 -0.00005 0.00482 0.00687 147 2S 0.00321 -0.00689 0.00474 0.00783 0.01284 148 16 C 1S 0.00044 -0.00078 -0.00151 0.00140 0.00329 149 2S -0.00118 0.00248 -0.00039 -0.00421 -0.00767 150 2PX -0.00336 0.01223 0.00014 -0.01194 -0.02321 151 2PY -0.00147 0.00461 -0.00003 -0.00597 -0.00955 152 2PZ 0.00165 -0.00575 -0.00476 0.00572 0.01343 153 3S 0.00165 -0.00238 0.01535 -0.00264 -0.00949 154 3PX -0.00215 0.00935 0.00055 -0.01215 -0.01860 155 3PY 0.00072 -0.00217 0.00965 0.00503 -0.00567 156 3PZ 0.00456 -0.01137 0.00859 0.01035 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 -0.00612 0.00549 0.00822 0.00229 165 18 C 1S 0.00026 0.00003 0.00032 -0.00025 0.00028 166 2S 0.00057 -0.00071 -0.00017 -0.00070 -0.00099 167 2PX 0.00155 -0.00532 0.02101 -0.00100 -0.02517 168 2PY 0.00040 0.00009 0.00287 0.00120 -0.00180 169 2PZ -0.00026 0.00136 -0.00302 0.00153 0.00754 170 3S -0.01012 0.01398 -0.01175 0.00154 -0.00530 171 3PX 0.00148 -0.00494 0.01655 0.00152 -0.01677 172 3PY -0.00247 0.00264 0.00430 0.00286 -0.00215 173 3PZ 0.00419 -0.00569 0.00103 0.00149 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 0.00309 -0.00171 -0.00368 182 20 C 1S -0.00136 0.00288 -0.00431 -0.00208 0.00038 183 2S 0.00374 -0.00716 0.01331 0.00151 0.00081 184 2PX 0.00681 -0.02261 -0.00001 0.01916 0.02886 185 2PY 0.00016 -0.00132 0.00716 -0.00124 -0.00457 186 2PZ -0.00106 0.00430 0.00635 -0.00369 -0.00974 187 3S -0.00551 0.00078 0.01957 0.02223 -0.02710 188 3PX 0.00452 -0.01466 -0.00836 0.01686 0.02212 189 3PY 0.00489 -0.00249 -0.00684 -0.00706 0.01080 190 3PZ -0.00600 0.01128 -0.01184 -0.00023 -0.01488 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 -0.00014 -0.00001 0.00016 197 21 H 1S 0.00070 -0.00179 0.01144 -0.00064 -0.00600 198 2S -0.00093 -0.00124 0.00499 -0.00274 -0.00140 199 22 C 1S -0.00144 0.00186 -0.00260 -0.00071 0.00091 200 2S 0.00057 -0.00311 0.00899 0.00406 -0.00565 201 2PX 0.00505 -0.02016 0.01801 0.01263 0.00397 202 2PY 0.00048 -0.00201 0.00264 -0.00032 -0.00264 203 2PZ -0.00281 0.00780 -0.01447 -0.00577 -0.00470 204 3S 0.01617 -0.01800 0.01133 -0.01253 0.01532 205 3PX 0.00430 -0.01439 0.01529 0.00996 -0.00035 206 3PY -0.00231 0.00205 0.00805 0.00196 -0.00251 207 3PZ -0.00812 0.01198 -0.00447 0.00264 -0.01758 208 4XX -0.00101 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 0.00079 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 -0.00076 214 23 H 1S 0.00048 -0.00239 0.00079 0.00049 -0.00467 215 2S 0.00108 -0.00237 -0.01013 -0.00067 0.00536 81 82 83 84 85 81 3S 0.22046 82 3PX -0.01066 0.05210 83 3PY -0.05837 0.00019 0.03644 84 3PZ 0.01065 -0.03074 -0.00021 0.05181 85 4XX -0.00733 0.00230 0.00509 -0.00083 0.00204 86 4YY -0.00677 -0.00228 -0.00275 0.00145 -0.00101 87 4ZZ -0.00691 0.00094 0.00474 -0.00130 0.00091 88 4XY -0.00141 0.00606 -0.00024 -0.00187 0.00044 89 4XZ 0.00402 -0.00075 -0.00027 0.00117 0.00021 90 4YZ -0.00093 -0.00162 0.00093 0.00586 0.00038 91 7 H 1S -0.03546 0.00774 0.02341 -0.00017 0.00230 92 2S -0.03512 0.00881 0.02089 -0.00287 0.00103 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 0.04564 0.01161 -0.00411 0.01357 -0.00006 96 2S 0.04649 0.01256 -0.00530 0.01612 -0.00039 97 10 H 1S -0.04028 0.00039 0.03063 -0.00822 0.00413 98 2S -0.04595 0.00196 0.03041 -0.00900 0.00500 99 11 O 1S -0.00314 -0.00030 0.00209 -0.00068 0.00011 100 2S 0.00508 0.00102 0.00112 0.00025 -0.00031 101 2PX 0.00511 0.02022 -0.00960 0.02681 -0.00055 102 2PY -0.00053 0.00202 0.01968 -0.00399 -0.00035 103 2PZ 0.00701 0.02100 0.00374 0.02330 0.00017 104 3S -0.00883 0.00035 -0.00963 0.00138 0.00016 105 3PX 0.00386 0.01471 -0.00585 0.01910 -0.00045 106 3PY -0.00400 0.00089 0.00833 -0.00150 -0.00018 107 3PZ 0.00701 0.01461 0.00103 0.01669 -0.00001 108 4XX 0.00061 -0.00008 -0.00014 -0.00022 -0.00001 109 4YY 0.00021 0.00007 0.00181 -0.00021 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 -0.00284 -0.02826 0.00024 -0.01121 116 2PX -0.04191 0.13951 0.00957 -0.04628 0.01353 117 2PY -0.15585 -0.01121 0.06283 0.01371 0.01759 118 2PZ 0.01338 -0.04687 -0.00230 0.13649 0.00004 119 3S -0.13614 -0.00641 -0.02986 0.00447 -0.00940 120 3PX -0.02574 0.08945 0.00683 -0.02801 0.00908 121 3PY -0.08293 -0.00708 0.03556 0.00798 0.00908 122 3PZ 0.00579 -0.02802 -0.00151 0.08695 0.00043 123 4XX -0.00142 -0.00144 0.00253 0.00040 0.00045 124 4YY 0.01497 0.00208 -0.00434 -0.00201 -0.00105 125 4ZZ -0.00172 0.00002 0.00255 0.00092 0.00048 126 4XY 0.00349 -0.00853 -0.00078 0.00347 -0.00072 127 4XZ 0.00004 0.00139 0.00044 -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 -0.00447 -0.00560 -0.00134 131 2PX 0.00944 0.00365 -0.00951 -0.00961 -0.00191 132 2PY 0.00537 -0.00410 -0.00439 -0.00894 -0.00052 133 2PZ -0.01567 0.00577 0.01060 0.00488 0.00015 134 3S 0.01218 -0.01278 -0.00667 -0.00033 -0.00270 135 3PX 0.00063 0.00057 -0.00629 -0.00307 -0.00058 136 3PY 0.00565 -0.00635 -0.00402 -0.00229 -0.00076 137 3PZ -0.00655 -0.00405 0.00372 0.00709 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 0.01481 -0.00504 -0.01014 -0.00493 -0.00105 145 2S 0.01037 -0.00615 -0.00917 0.00029 -0.00065 146 15 H 1S -0.00680 -0.00152 0.00856 0.00455 0.00171 147 2S -0.01254 0.00032 0.00979 0.00444 0.00337 148 16 C 1S -0.00331 -0.00017 0.00103 0.00150 0.00055 149 2S 0.00737 0.00013 -0.00454 -0.00123 -0.00108 150 2PX 0.00071 0.00367 -0.00101 -0.01201 -0.00053 151 2PY 0.00437 0.00481 -0.00080 -0.00116 -0.00033 152 2PZ 0.01389 -0.00874 -0.00149 0.00149 0.00095 153 3S 0.00593 0.00859 -0.00173 -0.00331 -0.00076 154 3PX -0.00116 0.00306 -0.00134 -0.00777 -0.00047 155 3PY 0.00064 0.00528 0.00141 -0.00334 0.00030 156 3PZ 0.00180 -0.00206 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 -0.00054 0.00017 -0.00052 164 2S -0.00414 -0.00245 0.00149 -0.00295 -0.00005 165 18 C 1S -0.00184 0.00147 0.00387 0.00010 0.00006 166 2S 0.00456 -0.00215 -0.00563 -0.00100 0.00027 167 2PX -0.00099 0.00841 0.01536 -0.01440 -0.00348 168 2PY -0.01005 0.00148 -0.00192 -0.00094 -0.00021 169 2PZ -0.01319 0.00252 -0.00207 0.00671 0.00128 170 3S 0.00439 -0.00363 -0.01006 0.00329 -0.00112 171 3PX -0.00077 0.00590 0.00956 -0.01019 -0.00312 172 3PY -0.00562 0.00265 -0.00179 0.00049 -0.00103 173 3PZ -0.00560 0.00009 -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 0.00070 0.00067 -0.00006 181 2S -0.00313 0.00357 0.00160 0.00062 -0.00085 182 20 C 1S 0.00674 -0.00416 0.00115 0.00040 -0.00087 183 2S -0.01191 0.01172 0.00821 -0.00203 0.00106 184 2PX -0.00049 -0.00407 0.02700 0.00709 0.00745 185 2PY -0.00377 0.00956 -0.00357 0.00692 0.00002 186 2PZ -0.01265 0.00329 0.00012 0.00333 -0.00283 187 3S -0.00611 0.02019 0.00773 -0.00772 0.00093 188 3PX 0.00241 -0.00865 0.01541 0.00639 0.00439 189 3PY -0.00130 -0.00146 -0.00093 0.00806 0.00056 190 3PZ -0.00286 -0.00266 -0.00687 0.00152 -0.00317 191 4XX 0.00100 -0.00146 0.00043 0.00094 0.00028 192 4YY 0.00012 0.00107 -0.00055 -0.00042 -0.00016 193 4ZZ -0.00041 -0.00014 -0.00036 -0.00017 -0.00002 194 4XY 0.00064 -0.00043 -0.00030 -0.00005 -0.00009 195 4XZ 0.00123 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 0.00122 -0.00034 198 2S -0.00409 0.00233 -0.00432 0.00095 -0.00178 199 22 C 1S 0.00559 -0.00231 -0.00034 0.00157 -0.00044 200 2S -0.00772 0.00404 0.00210 -0.00273 -0.00012 201 2PX 0.01536 0.00010 0.02409 -0.00829 0.00075 202 2PY 0.00410 0.00316 0.00574 -0.00007 0.00001 203 2PZ 0.01048 -0.00310 -0.01436 -0.00039 0.00045 204 3S -0.00791 0.00152 0.00783 -0.00162 0.00274 205 3PX 0.00832 0.00171 0.01633 -0.00653 -0.00036 206 3PY -0.00051 0.00383 0.00022 -0.00035 -0.00042 207 3PZ 0.00184 0.00275 -0.00988 -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 0.00743 0.00081 0.00060 -0.00382 0.00036 215 2S 0.00910 -0.00500 0.00064 0.00098 0.00006 86 87 88 89 90 86 4YY 0.00224 87 4ZZ -0.00086 0.00197 88 4XY -0.00009 -0.00059 0.00342 89 4XZ -0.00057 0.00027 -0.00027 0.00061 90 4YZ 0.00005 -0.00032 0.00139 0.00036 0.00360 91 7 H 1S -0.00360 0.00647 -0.00324 0.00507 0.00014 92 2S -0.00277 0.00711 -0.00740 0.00292 -0.00560 93 8 H 1S -0.00236 0.00004 0.00068 -0.00013 -0.00003 94 2S -0.00299 0.00016 0.00217 0.00003 0.00115 95 9 H 1S -0.00227 0.00058 -0.00075 0.00019 -0.00039 96 2S -0.00284 0.00120 -0.00266 0.00051 -0.00176 97 10 H 1S -0.00416 0.00485 0.00140 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 -0.00033 -0.00376 102 2PY 0.00244 0.00065 0.00113 -0.00072 -0.00102 103 2PZ 0.00103 -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 -0.00288 0.00011 0.00179 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 -0.00005 -0.00008 0.00001 0.00012 114 12 O 1S -0.01296 0.00527 -0.00272 0.00171 0.00167 115 2S 0.02386 -0.01174 0.00556 -0.00378 -0.00334 116 2PX -0.00842 -0.00051 0.04056 -0.00219 0.01191 117 2PY -0.00551 0.01941 -0.00818 0.00442 0.00427 118 2PZ 0.00502 -0.00804 0.01231 0.00464 0.04301 119 3S 0.02828 -0.00949 0.00452 -0.00377 -0.00282 120 3PX -0.00563 -0.00100 0.02889 -0.00156 0.00907 121 3PY -0.00257 0.01015 -0.00480 0.00254 0.00229 122 3PZ 0.00333 -0.00537 0.00940 0.00321 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 0.00011 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 0.00105 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 -0.00005 -0.00028 139 4YY 0.00004 0.00008 -0.00005 0.00000 0.00012 140 4ZZ -0.00001 0.00010 -0.00002 0.00005 0.00015 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 0.00011 0.00017 -0.00015 0.00011 0.00071 145 2S -0.00032 0.00048 -0.00034 0.00066 0.00077 146 15 H 1S -0.00056 -0.00096 0.00079 -0.00021 -0.00127 147 2S -0.00096 -0.00171 0.00141 -0.00031 -0.00297 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 0.00046 -0.00179 0.00149 0.00331 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 -0.00008 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 0.00131 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 -0.00174 -0.00039 0.00278 172 3PY 0.00041 0.00051 -0.00075 0.00030 0.00037 173 3PZ -0.00030 -0.00122 0.00105 -0.00017 -0.00103 174 4XX -0.00002 0.00001 0.00007 -0.00003 -0.00008 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 0.00037 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 0.00420 -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 -0.00191 0.00106 0.00167 -0.00071 -0.00187 205 3PX 0.00026 0.00016 0.00034 -0.00236 -0.00117 206 3PY 0.00007 0.00023 -0.00077 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 -0.00051 -0.00007 215 2S 0.00016 0.00037 0.00042 -0.00022 0.00055 91 92 93 94 95 91 7 H 1S 0.21431 92 2S 0.15589 0.13785 93 8 H 1S -0.02228 -0.02573 0.21431 94 2S -0.02573 -0.02916 0.15589 0.13785 95 9 H 1S 0.00191 0.00857 -0.01153 -0.02065 0.21482 96 2S 0.00815 0.02209 -0.02116 -0.03440 0.15694 97 10 H 1S -0.01153 -0.02065 0.00191 0.00857 -0.02337 98 2S -0.02116 -0.03440 0.00815 0.02209 -0.02616 99 11 O 1S 0.00149 0.00198 0.00308 -0.00397 0.00327 100 2S -0.00252 -0.00336 -0.00637 0.00634 -0.00635 101 2PX 0.01750 0.02867 0.00187 -0.02801 -0.00655 102 2PY -0.00863 -0.01363 -0.01830 -0.04899 -0.01532 103 2PZ 0.00254 0.01125 0.02180 -0.03601 -0.01798 104 3S -0.01226 -0.01092 -0.01801 0.00678 -0.02236 105 3PX 0.01662 0.02527 -0.00025 -0.02434 -0.00311 106 3PY -0.00812 -0.01005 -0.01491 -0.03123 -0.01315 107 3PZ 0.00337 0.01039 0.01509 -0.02713 -0.01176 108 4XX 0.00060 0.00050 0.00051 0.00065 0.00142 109 4YY 0.00025 0.00003 -0.00076 -0.00293 -0.00059 110 4ZZ 0.00043 0.00044 0.00149 0.00121 0.00099 111 4XY 0.00009 0.00016 0.00111 0.00098 -0.00112 112 4XZ 0.00007 0.00012 0.00059 0.00057 0.00090 113 4YZ -0.00034 -0.00030 0.00176 -0.00012 -0.00182 114 12 O 1S 0.00308 -0.00397 0.00149 0.00198 0.00161 115 2S -0.00637 0.00634 -0.00252 -0.00336 -0.00301 116 2PX 0.00187 -0.02801 0.01750 0.02867 -0.00961 117 2PY 0.01830 0.04899 0.00863 0.01363 0.01210 118 2PZ 0.02180 -0.03601 0.00254 0.01124 -0.01230 119 3S -0.01801 0.00678 -0.01226 -0.01092 -0.01183 120 3PX -0.00025 -0.02434 0.01662 0.02527 -0.00994 121 3PY 0.01491 0.03123 0.00812 0.01005 0.01079 122 3PZ 0.01509 -0.02713 0.00337 0.01039 -0.01261 123 4XX 0.00051 0.00065 0.00060 0.00050 0.00040 124 4YY -0.00076 -0.00293 0.00025 0.00003 0.00016 125 4ZZ 0.00149 0.00121 0.00043 0.00044 0.00048 126 4XY -0.00111 -0.00098 -0.00009 -0.00016 -0.00020 127 4XZ 0.00059 0.00057 0.00007 0.00012 0.00007 128 4YZ -0.00176 0.00012 0.00034 0.00030 -0.00015 129 13 C 1S 0.00338 0.00083 0.00338 0.00083 -0.00029 130 2S -0.00697 -0.00320 -0.00697 -0.00320 0.00056 131 2PX -0.00991 -0.00603 -0.00991 -0.00603 0.00063 132 2PY -0.01150 -0.01076 0.01150 0.01076 -0.00012 133 2PZ 0.00871 -0.00035 0.00871 -0.00035 -0.00114 134 3S -0.00817 -0.00233 -0.00817 -0.00233 0.00160 135 3PX -0.00312 -0.00240 -0.00312 -0.00240 -0.00008 136 3PY -0.00681 -0.00620 0.00681 0.00620 -0.00020 137 3PZ 0.01566 0.00833 0.01566 0.00833 -0.00181 138 4XX 0.00109 0.00050 0.00109 0.00050 -0.00022 139 4YY -0.00031 -0.00036 -0.00031 -0.00036 0.00003 140 4ZZ -0.00014 0.00040 -0.00014 0.00040 0.00013 141 4XY -0.00071 -0.00071 0.00071 0.00071 0.00018 142 4XZ -0.00055 -0.00017 -0.00055 -0.00017 0.00008 143 4YZ -0.00033 -0.00012 0.00033 0.00012 -0.00020 144 14 H 1S -0.00616 0.00077 -0.00616 0.00077 0.00092 145 2S 0.00524 0.00729 0.00524 0.00729 0.00004 146 15 H 1S 0.00658 0.00329 0.00658 0.00329 -0.00095 147 2S 0.00753 0.00285 0.00753 0.00285 -0.00172 148 16 C 1S -0.00151 -0.00096 0.00512 0.00351 0.00004 149 2S 0.00459 0.00251 -0.01126 -0.00585 -0.00040 150 2PX 0.01332 0.01544 -0.00478 -0.00486 -0.00336 151 2PY 0.00343 0.00349 0.00225 0.00108 -0.00039 152 2PZ -0.00861 -0.01173 0.01742 0.02205 0.00152 153 3S 0.00370 0.00107 -0.02925 -0.02351 0.00250 154 3PX 0.01319 0.01232 -0.01041 -0.00798 -0.00201 155 3PY -0.00921 -0.00905 -0.00423 -0.00178 0.00110 156 3PZ -0.00898 -0.00993 -0.00159 0.00098 0.00409 157 4XX 0.00083 0.00095 0.00008 -0.00067 -0.00003 158 4YY -0.00032 -0.00017 -0.00125 -0.00061 -0.00005 159 4ZZ -0.00050 -0.00061 0.00217 0.00208 -0.00019 160 4XY -0.00048 -0.00034 -0.00073 -0.00044 -0.00007 161 4XZ 0.00061 0.00094 -0.00271 -0.00138 -0.00003 162 4YZ 0.00030 0.00022 0.00057 0.00078 0.00005 163 17 H 1S -0.00155 -0.00185 -0.00922 -0.00585 0.00036 164 2S -0.01076 -0.01070 -0.00544 0.00115 0.00055 165 18 C 1S 0.00031 0.00043 -0.00194 -0.00245 0.00051 166 2S -0.00206 -0.00323 0.00573 0.00864 -0.00056 167 2PX 0.01107 0.01875 -0.01499 -0.00701 -0.00319 168 2PY 0.00196 0.00561 -0.00311 -0.00132 0.00123 169 2PZ -0.00341 -0.00477 -0.00286 -0.01278 0.00012 170 3S 0.00947 0.00889 0.00901 0.01010 -0.00537 171 3PX 0.01036 0.01460 -0.01416 -0.00618 -0.00195 172 3PY 0.00869 0.00988 -0.01077 -0.00972 0.00175 173 3PZ -0.00698 -0.00931 -0.00318 -0.00648 0.00094 174 4XX -0.00029 -0.00033 0.00018 -0.00005 0.00004 175 4YY 0.00005 0.00021 0.00003 -0.00013 0.00003 176 4ZZ 0.00031 0.00014 -0.00014 -0.00027 -0.00015 177 4XY -0.00098 -0.00062 0.00058 0.00098 0.00008 178 4XZ -0.00031 -0.00053 0.00092 0.00083 0.00011 179 4YZ -0.00011 -0.00046 0.00003 0.00024 0.00005 180 19 H 1S 0.00048 -0.00016 -0.00134 -0.00435 -0.00110 181 2S 0.00452 0.00519 -0.00342 -0.00729 0.00167 182 20 C 1S 0.00512 0.00351 -0.00151 -0.00096 0.00008 183 2S -0.01127 -0.00585 0.00459 0.00251 0.00027 184 2PX -0.00478 -0.00486 0.01332 0.01544 0.00156 185 2PY -0.00225 -0.00108 -0.00343 -0.00349 -0.00031 186 2PZ 0.01742 0.02205 -0.00861 -0.01173 -0.00099 187 3S -0.02925 -0.02351 0.00370 0.00107 -0.00220 188 3PX -0.01041 -0.00798 0.01319 0.01232 0.00160 189 3PY 0.00423 0.00178 0.00921 0.00905 -0.00129 190 3PZ -0.00159 0.00098 -0.00898 -0.00993 -0.00148 191 4XX 0.00008 -0.00067 0.00083 0.00095 -0.00004 192 4YY -0.00125 -0.00061 -0.00032 -0.00017 0.00008 193 4ZZ 0.00217 0.00208 -0.00050 -0.00061 0.00008 194 4XY 0.00073 0.00044 0.00048 0.00034 0.00004 195 4XZ -0.00271 -0.00138 0.00061 0.00094 0.00015 196 4YZ -0.00057 -0.00078 -0.00030 -0.00022 -0.00001 197 21 H 1S -0.00922 -0.00585 -0.00155 -0.00185 0.00008 198 2S -0.00544 0.00115 -0.01076 -0.01070 0.00246 199 22 C 1S -0.00194 -0.00245 0.00031 0.00043 -0.00013 200 2S 0.00573 0.00864 -0.00206 -0.00323 0.00018 201 2PX -0.01499 -0.00701 0.01107 0.01875 0.00112 202 2PY 0.00311 0.00132 -0.00196 -0.00561 -0.00071 203 2PZ -0.00286 -0.01278 -0.00341 -0.00477 -0.00055 204 3S 0.00902 0.01010 0.00947 0.00889 0.00182 205 3PX -0.01416 -0.00618 0.01036 0.01460 0.00153 206 3PY 0.01077 0.00972 -0.00869 -0.00988 0.00030 207 3PZ -0.00318 -0.00648 -0.00698 -0.00931 -0.00098 208 4XX 0.00018 -0.00005 -0.00029 -0.00033 -0.00012 209 4YY 0.00003 -0.00013 0.00005 0.00021 -0.00001 210 4ZZ -0.00014 -0.00027 0.00031 0.00014 -0.00004 211 4XY -0.00058 -0.00098 0.00098 0.00062 0.00022 212 4XZ 0.00092 0.00083 -0.00031 -0.00053 -0.00004 213 4YZ -0.00003 -0.00024 0.00011 0.00046 -0.00005 214 23 H 1S -0.00134 -0.00435 0.00048 -0.00016 -0.00014 215 2S -0.00342 -0.00729 0.00452 0.00519 -0.00043 96 97 98 99 100 96 2S 0.14022 97 10 H 1S -0.02616 0.21482 98 2S -0.03122 0.15694 0.14022 99 11 O 1S -0.00447 0.00161 0.00265 2.07870 100 2S 0.00737 -0.00301 -0.00550 -0.18242 0.50228 101 2PX 0.04000 -0.00961 -0.02313 -0.00535 0.01410 102 2PY -0.05044 -0.01210 -0.02059 0.04127 -0.08227 103 2PZ 0.02324 -0.01230 -0.02263 0.00324 -0.00848 104 3S 0.00515 -0.01183 -0.01102 -0.24486 0.59901 105 3PX 0.03074 -0.00994 -0.02062 -0.00421 0.01002 106 3PY -0.03115 -0.01079 -0.01502 0.03471 -0.06389 107 3PZ 0.02065 -0.01261 -0.02061 0.00254 -0.00579 108 4XX 0.00122 0.00040 0.00039 -0.01244 -0.00951 109 4YY -0.00307 0.00016 -0.00028 -0.01052 -0.01114 110 4ZZ 0.00123 0.00048 0.00044 -0.01235 -0.00972 111 4XY 0.00033 0.00020 0.00005 -0.00043 0.00071 112 4XZ 0.00066 0.00007 0.00011 0.00139 -0.00303 113 4YZ -0.00119 0.00015 0.00022 0.00036 -0.00063 114 12 O 1S 0.00265 0.00327 -0.00447 0.00020 -0.00028 115 2S -0.00550 -0.00635 0.00737 -0.00028 0.00221 116 2PX -0.02313 -0.00655 0.04000 -0.00001 -0.00073 117 2PY 0.02059 0.01532 0.05044 0.00020 -0.00434 118 2PZ -0.02263 -0.01798 0.02324 0.00001 0.00027 119 3S -0.01102 -0.02236 0.00515 -0.00138 -0.00211 120 3PX -0.02062 -0.00311 0.03074 0.00007 -0.00037 121 3PY 0.01502 0.01315 0.03115 0.00030 -0.00145 122 3PZ -0.02061 -0.01176 0.02065 0.00008 0.00000 123 4XX 0.00039 0.00142 0.00122 0.00005 0.00026 124 4YY -0.00028 -0.00059 -0.00307 0.00013 0.00025 125 4ZZ 0.00044 0.00099 0.00123 0.00005 0.00030 126 4XY -0.00005 0.00112 -0.00033 0.00002 -0.00002 127 4XZ 0.00011 0.00090 0.00066 0.00001 0.00001 128 4YZ -0.00022 0.00182 0.00119 -0.00003 0.00003 129 13 C 1S -0.00083 -0.00029 -0.00083 0.00024 -0.00018 130 2S 0.00234 0.00056 0.00234 0.00049 -0.00110 131 2PX 0.00246 0.00063 0.00246 -0.00035 -0.00017 132 2PY -0.00009 0.00012 0.00009 0.00074 -0.00163 133 2PZ -0.00087 -0.00114 -0.00087 0.00016 0.00045 134 3S 0.00402 0.00160 0.00402 -0.00476 0.00804 135 3PX -0.00035 -0.00008 -0.00035 -0.00143 0.00148 136 3PY -0.00013 0.00020 0.00013 0.00147 -0.00307 137 3PZ -0.00156 -0.00181 -0.00156 -0.00081 0.00101 138 4XX -0.00043 -0.00022 -0.00043 0.00014 -0.00011 139 4YY 0.00021 0.00003 0.00021 0.00003 -0.00008 140 4ZZ 0.00022 0.00013 0.00022 0.00007 -0.00033 141 4XY 0.00045 -0.00018 -0.00045 0.00007 -0.00025 142 4XZ 0.00027 0.00008 0.00027 -0.00004 0.00005 143 4YZ -0.00039 0.00020 0.00039 0.00007 -0.00012 144 14 H 1S 0.00127 0.00092 0.00127 -0.00013 -0.00052 145 2S 0.00022 0.00004 0.00022 0.00001 -0.00150 146 15 H 1S -0.00211 -0.00095 -0.00211 0.00040 0.00007 147 2S -0.00454 -0.00172 -0.00454 0.00027 0.00025 148 16 C 1S -0.00004 0.00008 -0.00041 0.00002 0.00104 149 2S -0.00012 0.00027 0.00144 0.00013 -0.00046 150 2PX -0.00799 0.00156 0.00496 0.00136 0.00094 151 2PY -0.00179 0.00031 0.00267 -0.00116 0.00384 152 2PZ 0.00155 -0.00099 -0.00351 -0.00019 -0.00023 153 3S 0.00356 -0.00220 -0.00110 0.00331 -0.00026 154 3PX -0.00650 0.00160 0.00557 -0.00187 0.00774 155 3PY -0.00185 0.00129 0.00274 -0.00005 0.00302 156 3PZ 0.00497 -0.00148 -0.00526 -0.00172 0.00380 157 4XX 0.00003 -0.00004 -0.00014 0.00012 -0.00036 158 4YY 0.00013 0.00008 0.00018 0.00003 -0.00040 159 4ZZ -0.00048 0.00008 0.00007 -0.00011 -0.00010 160 4XY -0.00008 -0.00004 -0.00013 -0.00009 0.00030 161 4XZ 0.00012 0.00015 0.00042 0.00001 0.00018 162 4YZ 0.00004 0.00001 -0.00003 -0.00004 0.00007 163 17 H 1S 0.00171 0.00008 -0.00067 0.00088 -0.00275 164 2S -0.00139 0.00246 0.00261 -0.00261 0.00490 165 18 C 1S 0.00044 -0.00013 -0.00008 0.00008 0.00050 166 2S -0.00029 0.00018 -0.00015 -0.00042 0.00099 167 2PX -0.00248 0.00112 0.00638 0.00090 0.00313 168 2PY 0.00072 0.00071 0.00131 -0.00047 0.00003 169 2PZ 0.00250 -0.00055 -0.00236 -0.00006 -0.00187 170 3S -0.00435 0.00182 0.00193 0.00257 -0.00912 171 3PX -0.00145 0.00153 0.00476 0.00070 0.00255 172 3PY 0.00225 -0.00030 -0.00082 0.00022 -0.00128 173 3PZ 0.00170 -0.00098 -0.00298 -0.00037 0.00119 174 4XX -0.00007 -0.00012 -0.00012 -0.00008 0.00012 175 4YY 0.00005 -0.00001 -0.00003 0.00002 -0.00021 176 4ZZ -0.00016 -0.00004 0.00015 -0.00002 0.00012 177 4XY 0.00033 -0.00022 -0.00028 -0.00004 0.00017 178 4XZ 0.00023 -0.00004 -0.00011 -0.00008 0.00009 179 4YZ -0.00016 0.00005 0.00011 0.00005 -0.00015 180 19 H 1S 0.00044 -0.00014 -0.00033 0.00021 -0.00021 181 2S 0.00291 -0.00043 -0.00046 -0.00054 0.00131 182 20 C 1S -0.00041 0.00004 -0.00004 -0.00016 0.00044 183 2S 0.00144 -0.00040 -0.00012 0.00014 -0.00059 184 2PX 0.00496 -0.00336 -0.00799 0.00043 -0.00120 185 2PY -0.00267 0.00039 0.00179 -0.00067 0.00200 186 2PZ -0.00351 0.00152 0.00155 -0.00020 0.00108 187 3S -0.00110 0.00250 0.00356 0.00201 -0.00485 188 3PX 0.00557 -0.00201 -0.00650 0.00043 -0.00188 189 3PY -0.00274 -0.00110 0.00185 -0.00120 0.00195 190 3PZ -0.00526 0.00409 0.00496 -0.00053 0.00157 191 4XX -0.00014 -0.00003 0.00003 -0.00002 0.00001 192 4YY 0.00018 -0.00005 0.00013 -0.00006 0.00015 193 4ZZ 0.00007 -0.00019 -0.00048 0.00000 -0.00009 194 4XY 0.00013 0.00007 0.00008 0.00007 -0.00016 195 4XZ 0.00042 -0.00003 0.00012 0.00000 0.00014 196 4YZ 0.00003 -0.00005 -0.00004 0.00002 0.00000 197 21 H 1S -0.00067 0.00036 0.00171 -0.00040 0.00113 198 2S 0.00261 0.00055 -0.00140 -0.00039 0.00158 199 22 C 1S -0.00008 0.00051 0.00044 0.00009 0.00046 200 2S -0.00015 -0.00056 -0.00029 0.00004 -0.00094 201 2PX 0.00638 -0.00319 -0.00248 0.00058 0.00178 202 2PY -0.00131 -0.00123 -0.00072 0.00026 0.00031 203 2PZ -0.00236 0.00012 0.00250 -0.00030 -0.00045 204 3S 0.00193 -0.00537 -0.00435 -0.00129 0.00331 205 3PX 0.00476 -0.00195 -0.00145 0.00031 0.00128 206 3PY 0.00082 -0.00175 -0.00225 0.00079 -0.00159 207 3PZ -0.00298 0.00094 0.00170 0.00006 -0.00128 208 4XX -0.00012 0.00004 -0.00007 -0.00001 -0.00004 209 4YY -0.00003 0.00003 0.00005 -0.00007 0.00014 210 4ZZ 0.00015 -0.00015 -0.00016 0.00003 -0.00012 211 4XY 0.00028 -0.00008 -0.00033 0.00001 -0.00023 212 4XZ -0.00011 0.00011 0.00023 0.00000 -0.00002 213 4YZ -0.00011 -0.00005 0.00016 -0.00002 0.00008 214 23 H 1S -0.00033 -0.00110 0.00044 0.00003 0.00001 215 2S -0.00046 0.00167 0.00291 -0.00002 0.00020 101 102 103 104 105 101 2PX 0.68665 102 2PY -0.00023 0.60050 103 2PZ 0.13539 0.01056 0.70002 104 3S 0.01773 -0.24259 -0.00870 0.76574 105 3PX 0.46898 0.01104 0.10558 0.00903 0.32260 106 3PY 0.00683 0.32747 0.00480 -0.14986 0.01070 107 3PZ 0.10562 0.00126 0.47854 -0.00387 0.08096 108 4XX -0.00608 -0.00547 -0.00172 -0.01016 -0.00413 109 4YY 0.00331 0.04158 -0.00188 -0.02361 0.00291 110 4ZZ 0.00199 -0.00537 0.00449 -0.01036 0.00131 111 4XY 0.03360 -0.00298 0.00060 0.00164 0.02228 112 4XZ 0.00305 0.00024 -0.00473 -0.00377 0.00196 113 4YZ 0.00077 0.00208 0.03375 -0.00116 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 0.00766 -0.02649 0.00446 0.02822 117 2PY -0.00766 -0.00191 0.00733 0.01445 -0.00665 118 2PZ -0.02649 -0.00733 0.02924 -0.00329 -0.02152 119 3S 0.00446 -0.01445 -0.00329 0.01464 0.00214 120 3PX 0.02822 0.00665 -0.02152 0.00214 0.02092 121 3PY -0.00682 0.00268 0.00648 0.00378 -0.00537 122 3PZ -0.02247 -0.00551 0.02089 -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 0.00440 0.00109 -0.00306 -0.00232 0.00333 130 2S -0.00436 -0.00039 0.00799 -0.00093 -0.00352 131 2PX -0.01327 -0.00294 0.00969 0.00568 -0.01190 132 2PY 0.00694 -0.00039 0.00076 -0.00405 0.00474 133 2PZ -0.00371 -0.00110 0.00060 -0.00527 -0.00345 134 3S -0.05109 -0.02351 0.01830 0.01702 -0.03583 135 3PX -0.00742 -0.00418 -0.00310 0.00857 -0.00637 136 3PY 0.01810 0.00315 -0.00359 -0.00602 0.01206 137 3PZ -0.01649 -0.01205 0.00839 0.00312 -0.01109 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 -0.00052 143 4YZ 0.00144 0.00048 -0.00163 -0.00055 0.00107 144 14 H 1S -0.00394 -0.00092 0.00395 0.00512 -0.00246 145 2S -0.00371 -0.00566 0.01007 0.00637 -0.00189 146 15 H 1S 0.01044 0.00265 -0.00951 -0.00632 0.00895 147 2S 0.02175 0.00584 -0.02378 -0.00585 0.01706 148 16 C 1S -0.00671 -0.00220 0.00471 -0.00433 -0.00330 149 2S 0.01576 0.00162 -0.01021 -0.00427 0.00847 150 2PX 0.05925 0.01341 -0.05467 -0.02493 0.04591 151 2PY -0.00594 -0.00120 -0.00483 -0.00045 -0.00205 152 2PZ -0.02461 -0.00546 0.01914 0.00378 -0.01826 153 3S 0.03815 0.03809 -0.01564 -0.01613 0.02433 154 3PX 0.00778 0.00518 -0.04016 -0.00654 0.00847 155 3PY -0.01144 0.01183 -0.02446 -0.00238 -0.00815 156 3PZ -0.04099 -0.00074 0.01840 0.01046 -0.02891 157 4XX 0.00119 -0.00034 0.00021 -0.00078 0.00131 158 4YY -0.00008 0.00000 0.00047 -0.00004 -0.00041 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 0.00387 0.00241 0.00152 0.00000 -0.00023 164 2S -0.04709 -0.00930 -0.01198 0.01212 -0.03570 165 18 C 1S -0.00106 0.00007 0.00186 -0.00226 0.00032 166 2S -0.00279 0.00267 -0.00134 0.00114 -0.00332 167 2PX 0.00945 0.00752 -0.02235 -0.02868 0.00677 168 2PY -0.00492 0.00040 0.00511 0.00724 -0.00322 169 2PZ 0.00300 -0.00178 0.00692 0.00980 0.00226 170 3S 0.03977 -0.01593 -0.01537 -0.00790 0.02780 171 3PX 0.00557 0.00769 -0.01974 -0.01908 0.00372 172 3PY 0.00488 -0.00239 -0.00043 0.00026 0.00432 173 3PZ -0.00943 0.01045 -0.00288 0.00706 -0.00719 174 4XX -0.00184 0.00002 0.00118 0.00055 -0.00122 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 0.00158 0.00078 -0.00183 179 4YZ 0.00050 0.00019 -0.00041 0.00012 0.00035 180 19 H 1S 0.00500 0.00096 -0.00450 -0.00342 0.00306 181 2S 0.00045 -0.00495 0.00820 -0.00044 0.00099 182 20 C 1S 0.00265 0.00117 -0.00560 0.00056 0.00217 183 2S -0.00981 -0.00433 0.01017 0.00111 -0.00755 184 2PX -0.01951 -0.01041 0.03097 -0.00180 -0.01464 185 2PY 0.00518 0.00526 -0.01113 0.00264 0.00486 186 2PZ 0.01283 0.00550 -0.01973 -0.00158 0.01097 187 3S 0.01025 0.00084 0.02949 -0.00843 0.00481 188 3PX -0.01778 -0.01263 0.03848 -0.00013 -0.01392 189 3PY -0.01746 -0.00930 -0.00807 0.00699 -0.01142 190 3PZ 0.01893 0.00991 -0.02545 -0.00196 0.01388 191 4XX 0.00061 -0.00026 -0.00122 -0.00022 0.00052 192 4YY -0.00095 -0.00015 0.00017 0.00017 -0.00072 193 4ZZ 0.00085 -0.00008 -0.00094 0.00037 0.00076 194 4XY -0.00004 -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 0.00003 -0.00010 -0.00019 197 21 H 1S -0.00138 0.00223 -0.00144 0.00208 -0.00090 198 2S 0.00357 0.00788 -0.00425 -0.00010 0.00257 199 22 C 1S 0.00046 -0.00019 -0.00115 -0.00315 0.00024 200 2S -0.00234 -0.00120 0.00362 0.00322 -0.00183 201 2PX -0.03083 -0.00653 0.03454 -0.01708 -0.02463 202 2PY 0.00430 -0.00088 -0.00466 -0.00512 0.00383 203 2PZ 0.00642 0.00231 -0.00915 0.00703 0.00451 204 3S -0.02001 0.00261 0.00703 0.01100 -0.01326 205 3PX -0.02065 -0.00227 0.02471 -0.01144 -0.01669 206 3PY 0.00977 -0.00249 -0.00559 -0.00404 0.00773 207 3PZ 0.01609 0.00062 -0.00729 0.00217 0.01144 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 0.00157 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 -0.00338 215 2S -0.00749 -0.00162 0.00217 -0.00066 -0.00596 106 107 108 109 110 106 3PY 0.18079 107 3PZ 0.00026 0.32936 108 4XX -0.00285 -0.00121 0.00051 109 4YY 0.02264 -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 0.00683 -0.02247 -0.00071 0.00022 -0.00015 117 2PY 0.00268 0.00551 -0.00112 -0.00065 -0.00132 118 2PZ -0.00648 0.02089 0.00048 -0.00040 0.00005 119 3S -0.00378 -0.00185 -0.00017 -0.00177 -0.00023 120 3PX 0.00537 -0.01820 -0.00051 0.00030 -0.00008 121 3PY 0.00210 0.00481 -0.00049 0.00009 -0.00060 122 3PZ -0.00481 0.01492 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 -0.00065 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 -0.00083 0.00033 0.00011 0.00039 134 3S -0.01372 0.01475 0.00003 -0.00185 0.00004 135 3PX -0.00092 -0.00135 -0.00040 -0.00050 -0.00028 136 3PY 0.00135 -0.00312 0.00010 0.00031 0.00003 137 3PZ -0.00692 0.00469 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 0.00082 0.00000 -0.00002 0.00002 143 4YZ 0.00017 -0.00131 0.00003 0.00002 0.00000 144 14 H 1S 0.00059 0.00441 -0.00039 -0.00020 -0.00026 145 2S -0.00145 0.00774 -0.00041 -0.00056 -0.00027 146 15 H 1S 0.00038 -0.00874 0.00044 0.00034 0.00020 147 2S 0.00285 -0.01976 0.00043 0.00052 -0.00001 148 16 C 1S -0.00274 0.00335 0.00048 0.00036 0.00073 149 2S 0.00043 -0.00741 0.00031 0.00023 0.00009 150 2PX 0.00292 -0.04436 0.00178 0.00147 0.00061 151 2PY -0.00080 -0.00323 -0.00015 0.00053 0.00048 152 2PZ -0.00220 0.01411 -0.00043 -0.00012 0.00011 153 3S 0.01949 -0.01009 0.00008 0.00291 -0.00029 154 3PX -0.00064 -0.03220 0.00132 0.00044 0.00009 155 3PY 0.00587 -0.01637 -0.00005 0.00108 -0.00010 156 3PZ 0.00053 0.01438 -0.00043 -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 -0.00768 0.00025 -0.00122 -0.00049 165 18 C 1S -0.00071 0.00063 0.00032 0.00034 0.00028 166 2S 0.00163 -0.00009 -0.00025 0.00017 -0.00015 167 2PX -0.00482 -0.01589 0.00192 0.00124 0.00161 168 2PY 0.00228 0.00357 -0.00033 -0.00025 -0.00049 169 2PZ 0.00137 0.00622 -0.00063 -0.00081 -0.00069 170 3S -0.00746 -0.01179 0.00014 -0.00087 0.00051 171 3PX -0.00156 -0.01390 0.00120 0.00104 0.00108 172 3PY -0.00056 -0.00063 0.00008 -0.00023 0.00000 173 3PZ 0.00743 -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 0.00593 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 -0.01548 0.00025 0.00010 0.00001 187 3S -0.00128 0.02280 0.00005 0.00004 0.00058 188 3PX -0.00802 0.03047 -0.00008 -0.00051 0.00034 189 3PY -0.00424 -0.00636 -0.00002 -0.00064 -0.00018 190 3PZ 0.00560 -0.01979 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 -0.00144 -0.00011 0.00014 0.00000 198 2S 0.00485 -0.00338 -0.00004 0.00054 -0.00001 199 22 C 1S -0.00087 -0.00100 0.00024 0.00017 0.00029 200 2S -0.00006 0.00316 -0.00010 -0.00035 -0.00025 201 2PX -0.01075 0.02875 0.00093 0.00044 0.00164 202 2PY -0.00209 -0.00377 0.00037 0.00018 0.00042 203 2PZ 0.00437 -0.00829 -0.00040 0.00005 -0.00067 204 3S 0.00265 0.00534 -0.00051 -0.00013 -0.00076 205 3PX -0.00604 0.02052 0.00053 0.00035 0.00117 206 3PY -0.00176 -0.00427 0.00028 -0.00003 0.00023 207 3PZ 0.00199 -0.00674 -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 -0.00535 0.01410 117 2PY -0.00048 0.00006 0.00033 -0.04127 0.08227 118 2PZ -0.00087 -0.00033 0.00091 0.00324 -0.00848 119 3S 0.00035 -0.00007 -0.00034 -0.24486 0.59901 120 3PX 0.00086 0.00027 -0.00071 -0.00421 0.01002 121 3PY -0.00039 0.00006 0.00028 -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 -0.01114 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 -0.00143 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 -0.00023 -0.00006 0.00013 -0.00013 -0.00052 145 2S -0.00035 -0.00004 0.00055 0.00001 -0.00150 146 15 H 1S 0.00055 0.00010 -0.00027 0.00040 0.00007 147 2S 0.00117 0.00026 -0.00070 0.00027 0.00025 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 0.00039 -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 -0.00021 -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 -0.00046 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 0.00774 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 0.00000 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 0.68665 117 2PY 0.00023 0.60050 118 2PZ 0.13539 -0.01055 0.70002 119 3S 0.01773 0.24259 -0.00870 0.76574 120 3PX 0.46898 -0.01104 0.10558 0.00903 0.32260 121 3PY -0.00683 0.32747 -0.00480 0.14986 -0.01070 122 3PZ 0.10562 -0.00126 0.47854 -0.00387 0.08096 123 4XX -0.00608 0.00547 -0.00172 -0.01016 -0.00413 124 4YY 0.00331 -0.04158 -0.00188 -0.02361 0.00291 125 4ZZ 0.00199 0.00537 0.00449 -0.01036 0.00131 126 4XY -0.03360 -0.00298 -0.00060 -0.00164 -0.02228 127 4XZ 0.00305 -0.00024 -0.00473 -0.00377 0.00196 128 4YZ -0.00077 0.00208 -0.03375 0.00116 -0.00103 129 13 C 1S 0.00440 -0.00109 -0.00306 -0.00232 0.00333 130 2S -0.00436 0.00039 0.00799 -0.00093 -0.00352 131 2PX -0.01327 0.00294 0.00969 0.00568 -0.01190 132 2PY -0.00694 -0.00039 -0.00076 0.00405 -0.00474 133 2PZ -0.00371 0.00110 0.00060 -0.00527 -0.00345 134 3S -0.05109 0.02351 0.01830 0.01702 -0.03583 135 3PX -0.00742 0.00418 -0.00310 0.00857 -0.00637 136 3PY -0.01810 0.00315 0.00359 0.00602 -0.01206 137 3PZ -0.01649 0.01205 0.00839 0.00312 -0.01109 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 -0.00052 143 4YZ -0.00144 0.00048 0.00164 0.00055 -0.00107 144 14 H 1S -0.00394 0.00092 0.00395 0.00512 -0.00246 145 2S -0.00371 0.00566 0.01007 0.00637 -0.00189 146 15 H 1S 0.01044 -0.00265 -0.00951 -0.00632 0.00895 147 2S 0.02175 -0.00584 -0.02378 -0.00585 0.01706 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 -0.01951 0.01041 0.03097 -0.00180 -0.01464 151 2PY -0.00518 0.00526 0.01113 -0.00264 -0.00486 152 2PZ 0.01283 -0.00550 -0.01973 -0.00158 0.01097 153 3S 0.01025 -0.00084 0.02949 -0.00843 0.00481 154 3PX -0.01778 0.01263 0.03848 -0.00013 -0.01392 155 3PY 0.01746 -0.00930 0.00807 -0.00699 0.01142 156 3PZ 0.01893 -0.00991 -0.02545 -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 0.00085 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 -0.00223 -0.00144 0.00208 -0.00090 164 2S 0.00357 -0.00788 -0.00426 -0.00011 0.00257 165 18 C 1S 0.00046 0.00019 -0.00115 -0.00315 0.00024 166 2S -0.00234 0.00120 0.00362 0.00322 -0.00183 167 2PX -0.03083 0.00653 0.03454 -0.01708 -0.02463 168 2PY -0.00430 -0.00088 0.00466 0.00512 -0.00383 169 2PZ 0.00642 -0.00231 -0.00915 0.00703 0.00451 170 3S -0.02001 -0.00261 0.00703 0.01100 -0.01326 171 3PX -0.02065 0.00227 0.02471 -0.01144 -0.01669 172 3PY -0.00977 -0.00249 0.00559 0.00404 -0.00773 173 3PZ 0.01609 -0.00062 -0.00729 0.00217 0.01144 174 4XX 0.00073 0.00012 -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 0.00131 0.00334 -0.00032 -0.00338 181 2S -0.00749 0.00162 0.00217 -0.00066 -0.00596 182 20 C 1S -0.00671 0.00220 0.00471 -0.00433 -0.00330 183 2S 0.01576 -0.00162 -0.01021 -0.00427 0.00847 184 2PX 0.05925 -0.01341 -0.05467 -0.02493 0.04591 185 2PY 0.00594 -0.00120 0.00483 0.00045 0.00205 186 2PZ -0.02461 0.00546 0.01914 0.00378 -0.01826 187 3S 0.03815 -0.03808 -0.01564 -0.01613 0.02433 188 3PX 0.00778 -0.00518 -0.04016 -0.00654 0.00847 189 3PY 0.01144 0.01183 0.02446 0.00238 0.00816 190 3PZ -0.04099 0.00074 0.01840 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 -0.04710 0.00930 -0.01198 0.01213 -0.03570 199 22 C 1S -0.00106 -0.00007 0.00186 -0.00226 0.00032 200 2S -0.00279 -0.00267 -0.00134 0.00114 -0.00332 201 2PX 0.00945 -0.00752 -0.02235 -0.02868 0.00677 202 2PY 0.00492 0.00040 -0.00511 -0.00724 0.00322 203 2PZ 0.00300 0.00178 0.00692 0.00980 0.00226 204 3S 0.03978 0.01593 -0.01537 -0.00790 0.02780 205 3PX 0.00557 -0.00769 -0.01974 -0.01908 0.00372 206 3PY -0.00488 -0.00239 0.00043 -0.00026 -0.00432 207 3PZ -0.00943 -0.01045 -0.00289 0.00706 -0.00719 208 4XX -0.00184 -0.00002 0.00118 0.00055 -0.00122 209 4YY -0.00042 -0.00030 0.00057 0.00013 -0.00041 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 0.00158 0.00078 -0.00183 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 0.00494 0.00820 -0.00044 0.00099 121 122 123 124 125 121 3PY 0.18079 122 3PZ -0.00026 0.32936 123 4XX 0.00285 -0.00121 0.00051 124 4YY -0.02263 -0.00160 -0.00019 0.00322 125 4ZZ 0.00272 0.00308 0.00042 -0.00016 0.00049 126 4XY -0.00129 -0.00092 0.00029 0.00001 -0.00012 127 4XZ -0.00024 -0.00310 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 0.00017 0.00009 0.00007 130 2S 0.00065 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 -0.00083 0.00033 0.00011 0.00039 134 3S 0.01372 0.01475 0.00003 -0.00185 0.00004 135 3PX 0.00092 -0.00135 -0.00040 -0.00050 -0.00028 136 3PY 0.00135 0.00312 -0.00010 -0.00031 -0.00003 137 3PZ 0.00692 0.00469 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 0.00082 0.00000 -0.00002 0.00002 143 4YZ 0.00017 0.00131 -0.00003 -0.00002 0.00000 144 14 H 1S -0.00059 0.00441 -0.00039 -0.00020 -0.00026 145 2S 0.00145 0.00774 -0.00041 -0.00056 -0.00027 146 15 H 1S -0.00038 -0.00874 0.00044 0.00034 0.00020 147 2S -0.00285 -0.01976 0.00043 0.00052 -0.00001 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 0.00729 0.02574 -0.00006 -0.00023 0.00042 151 2PY 0.00444 0.00948 0.00009 -0.00042 0.00008 152 2PZ -0.00286 -0.01548 0.00025 0.00010 0.00001 153 3S 0.00128 0.02280 0.00005 0.00004 0.00058 154 3PX 0.00802 0.03047 -0.00008 -0.00051 0.00034 155 3PY -0.00424 0.00636 0.00002 0.00064 0.00018 156 3PZ -0.00560 -0.01979 0.00015 0.00044 -0.00003 157 4XX 0.00017 -0.00100 0.00003 0.00000 0.00000 158 4YY 0.00006 0.00018 -0.00001 0.00000 0.00002 159 4ZZ -0.00010 -0.00070 -0.00002 -0.00002 -0.00004 160 4XY -0.00008 -0.00032 0.00001 0.00000 0.00001 161 4XZ 0.00046 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 -0.00100 0.00024 0.00017 0.00029 166 2S 0.00006 0.00316 -0.00010 -0.00035 -0.00025 167 2PX 0.01075 0.02875 0.00093 0.00044 0.00164 168 2PY -0.00209 0.00377 -0.00037 -0.00018 -0.00042 169 2PZ -0.00437 -0.00829 -0.00040 0.00005 -0.00067 170 3S -0.00265 0.00534 -0.00051 -0.00013 -0.00076 171 3PX 0.00604 0.02052 0.00053 0.00035 0.00117 172 3PY -0.00176 0.00427 -0.00028 0.00003 -0.00023 173 3PZ -0.00199 -0.00674 -0.00004 -0.00017 -0.00025 174 4XX 0.00002 -0.00074 0.00001 -0.00001 0.00001 175 4YY -0.00003 0.00016 -0.00001 0.00000 -0.00001 176 4ZZ 0.00065 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 0.00100 0.00243 0.00006 0.00004 0.00005 181 2S 0.00127 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 -0.00292 -0.04436 0.00178 0.00147 0.00061 185 2PY -0.00080 0.00323 0.00015 -0.00053 -0.00048 186 2PZ 0.00220 0.01411 -0.00043 -0.00012 0.00011 187 3S -0.01949 -0.01009 0.00008 0.00291 -0.00029 188 3PX 0.00064 -0.03220 0.00132 0.00044 0.00009 189 3PY 0.00587 0.01637 0.00005 -0.00108 0.00010 190 3PZ -0.00053 0.01438 -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 -0.00008 -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 0.00562 -0.00768 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 0.00622 -0.00063 -0.00081 -0.00069 204 3S 0.00746 -0.01179 0.00014 -0.00087 0.00051 205 3PX 0.00156 -0.01390 0.00120 0.00104 0.00108 206 3PY -0.00056 0.00063 -0.00008 0.00023 0.00000 207 3PZ -0.00743 -0.00043 -0.00063 0.00044 -0.00080 208 4XX -0.00009 0.00079 -0.00003 -0.00001 -0.00002 209 4YY -0.00020 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 0.00022 0.00135 -0.00006 -0.00005 -0.00001 213 4YZ 0.00026 0.00048 0.00000 -0.00001 0.00003 214 23 H 1S 0.00075 -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 -0.19057 0.29252 135 3PX 0.00029 -0.00001 0.00003 -0.00014 -0.00623 136 3PY 0.00106 -0.00011 -0.00027 0.00000 0.00000 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 -0.00082 143 4YZ 0.00008 -0.00001 -0.00004 0.00000 0.00000 144 14 H 1S 0.00023 -0.00006 -0.00013 -0.05585 0.10753 145 2S 0.00035 -0.00004 -0.00055 -0.00830 0.02187 146 15 H 1S -0.00055 0.00010 0.00027 -0.05176 0.09980 147 2S -0.00117 0.00026 0.00070 -0.00265 0.01302 148 16 C 1S -0.00006 0.00001 0.00014 0.01234 -0.02332 149 2S 0.00041 -0.00009 -0.00018 -0.02270 0.04044 150 2PX 0.00078 0.00003 -0.00053 0.02741 -0.05236 151 2PY 0.00026 -0.00006 -0.00014 -0.04716 0.09366 152 2PZ -0.00046 -0.00002 0.00032 0.03283 -0.07184 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 0.02544 156 3PZ -0.00107 0.00006 0.00058 0.00171 -0.01187 157 4XX -0.00003 0.00002 0.00005 0.00006 -0.00057 158 4YY 0.00004 0.00000 -0.00001 -0.00268 0.00463 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 0.00408 -0.00790 163 17 H 1S -0.00001 -0.00001 -0.00005 0.01051 -0.02182 164 2S -0.00031 -0.00001 0.00003 0.01002 -0.01988 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 0.02963 168 2PY 0.00013 0.00008 -0.00018 0.00734 -0.01199 169 2PZ -0.00008 0.00013 0.00017 -0.00986 0.02334 170 3S 0.00128 -0.00004 -0.00021 0.01726 -0.03554 171 3PX 0.00033 -0.00023 -0.00050 -0.00734 0.02177 172 3PY 0.00036 -0.00001 -0.00018 0.00159 -0.00163 173 3PZ -0.00070 0.00008 -0.00004 -0.00609 0.01039 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 0.00011 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 0.02306 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 0.02741 -0.05236 185 2PY -0.00045 -0.00006 0.00009 0.04716 -0.09366 186 2PZ 0.00088 -0.00012 -0.00039 0.03283 -0.07184 187 3S -0.00180 0.00016 0.00134 -0.00036 0.01920 188 3PX -0.00030 -0.00002 0.00095 0.00242 -0.00915 189 3PY -0.00030 -0.00012 -0.00118 0.00890 -0.02544 190 3PZ 0.00211 -0.00028 -0.00035 0.00171 -0.01187 191 4XX 0.00002 0.00000 -0.00005 0.00006 -0.00057 192 4YY -0.00004 0.00000 0.00001 -0.00268 0.00463 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 0.00455 196 4YZ -0.00002 0.00000 0.00000 -0.00408 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 -0.01988 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 0.02963 202 2PY -0.00026 -0.00011 0.00037 -0.00734 0.01199 203 2PZ 0.00037 0.00000 -0.00023 -0.00986 0.02334 204 3S -0.00216 0.00029 0.00034 0.01726 -0.03554 205 3PX -0.00085 -0.00013 0.00081 -0.00734 0.02177 206 3PY 0.00004 -0.00003 0.00007 -0.00159 0.00163 207 3PZ 0.00068 0.00005 0.00052 -0.00609 0.01039 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 -0.00001 -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 0.00000 0.37725 133 2PZ -0.00372 0.00000 0.41347 134 3S 0.01634 0.00000 0.00967 0.32791 135 3PX 0.18216 0.00000 -0.00488 0.01333 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 -0.01978 0.00000 0.00944 -0.00232 -0.00956 139 4YY 0.01043 0.00000 0.00934 -0.00697 0.00449 140 4ZZ 0.00376 0.00000 -0.02213 0.00270 0.00234 141 4XY 0.00000 0.01209 0.00000 0.00000 0.00000 142 4XZ 0.01335 0.00000 0.00247 -0.00055 0.00552 143 4YZ 0.00000 0.01399 0.00000 0.00000 0.00000 144 14 H 1S 0.02047 0.00000 -0.26754 0.10176 0.01106 145 2S 0.01485 0.00000 -0.22273 0.02473 0.01388 146 15 H 1S -0.25427 0.00000 0.07070 0.08465 -0.11958 147 2S -0.21439 0.00000 0.05593 -0.00339 -0.09700 148 16 C 1S -0.03364 0.05274 -0.02848 0.00432 -0.00701 149 2S 0.07145 -0.11478 0.05590 0.01307 0.02200 150 2PX -0.02306 0.12813 -0.06870 -0.07377 -0.02167 151 2PY 0.10747 -0.17849 0.09598 0.11595 0.04869 152 2PZ -0.08929 0.14493 -0.05640 -0.04980 -0.03343 153 3S 0.07061 -0.07346 0.06263 -0.02551 0.01237 154 3PX -0.00865 0.05914 -0.02009 -0.01737 -0.01024 155 3PY 0.03464 -0.04484 0.03099 0.02001 0.00917 156 3PZ -0.02970 0.06715 -0.01565 0.00220 -0.00873 157 4XX -0.01081 -0.00120 0.00088 -0.00006 -0.00452 158 4YY 0.00656 0.00679 0.00588 0.00194 0.00170 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 0.00348 -0.00216 162 4YZ -0.00612 0.00615 -0.00014 -0.01039 -0.00366 163 17 H 1S -0.01167 0.04677 -0.00966 -0.05206 -0.01272 164 2S -0.01632 0.07857 -0.01114 -0.04278 -0.01535 165 18 C 1S 0.00907 -0.00126 0.01438 0.01978 0.00697 166 2S -0.01966 0.00955 -0.03539 -0.04001 -0.01538 167 2PX -0.01934 0.00958 0.02350 0.00432 -0.04249 168 2PY -0.01447 -0.02194 -0.01068 -0.08448 -0.03280 169 2PZ 0.02847 -0.03481 0.02659 0.05176 0.03392 170 3S -0.04368 -0.06034 -0.07186 -0.04264 -0.01781 171 3PX -0.01548 0.01126 0.02424 0.00182 -0.03172 172 3PY 0.00021 -0.04735 0.00895 -0.02403 -0.00843 173 3PZ 0.01870 0.00651 0.01859 0.01547 0.01618 174 4XX -0.00044 -0.00082 0.00216 0.00279 0.00046 175 4YY -0.00166 0.00316 -0.00279 -0.00327 -0.00135 176 4ZZ 0.00588 -0.00422 0.00509 0.00504 0.00294 177 4XY -0.00156 0.00020 -0.00065 -0.00158 -0.00218 178 4XZ 0.00281 -0.00406 0.00441 0.00428 0.00195 179 4YZ -0.00323 0.00526 -0.00361 -0.00350 -0.00121 180 19 H 1S 0.01845 -0.02217 0.01945 0.04675 0.01855 181 2S 0.03411 -0.04499 0.03719 0.05481 0.02528 182 20 C 1S -0.03364 -0.05274 -0.02848 0.00432 -0.00700 183 2S 0.07145 0.11478 0.05590 0.01307 0.02200 184 2PX -0.02306 -0.12813 -0.06870 -0.07377 -0.02167 185 2PY -0.10747 -0.17849 -0.09599 -0.11595 -0.04869 186 2PZ -0.08928 -0.14493 -0.05640 -0.04979 -0.03343 187 3S 0.07061 0.07346 0.06263 -0.02551 0.01237 188 3PX -0.00865 -0.05914 -0.02009 -0.01737 -0.01024 189 3PY -0.03464 -0.04484 -0.03099 -0.02001 -0.00917 190 3PZ -0.02970 -0.06715 -0.01565 0.00220 -0.00873 191 4XX -0.01081 0.00120 0.00088 -0.00006 -0.00452 192 4YY 0.00656 -0.00679 0.00588 0.00194 0.00170 193 4ZZ -0.00155 -0.00140 -0.01146 -0.00041 0.00070 194 4XY -0.00089 0.00661 0.00604 0.00903 0.00026 195 4XZ -0.00093 0.00403 -0.00112 0.00348 -0.00216 196 4YZ 0.00612 0.00616 0.00014 0.01039 0.00366 197 21 H 1S -0.01167 -0.04677 -0.00966 -0.05206 -0.01272 198 2S -0.01632 -0.07857 -0.01114 -0.04278 -0.01535 199 22 C 1S 0.00907 0.00126 0.01438 0.01978 0.00697 200 2S -0.01966 -0.00955 -0.03539 -0.04001 -0.01538 201 2PX -0.01934 -0.00958 0.02350 0.00432 -0.04249 202 2PY 0.01447 -0.02193 0.01068 0.08448 0.03280 203 2PZ 0.02847 0.03481 0.02659 0.05176 0.03392 204 3S -0.04368 0.06034 -0.07186 -0.04264 -0.01781 205 3PX -0.01548 -0.01126 0.02424 0.00182 -0.03172 206 3PY -0.00021 -0.04735 -0.00895 0.02403 0.00843 207 3PZ 0.01870 -0.00651 0.01859 0.01547 0.01618 208 4XX -0.00044 0.00082 0.00216 0.00279 0.00046 209 4YY -0.00166 -0.00316 -0.00279 -0.00327 -0.00135 210 4ZZ 0.00588 0.00422 0.00509 0.00504 0.00294 211 4XY 0.00156 0.00020 0.00065 0.00158 0.00218 212 4XZ 0.00281 0.00406 0.00441 0.00428 0.00195 213 4YZ 0.00323 0.00526 0.00361 0.00350 0.00121 214 23 H 1S 0.01845 0.02217 0.01945 0.04675 0.01855 215 2S 0.03411 0.04499 0.03719 0.05481 0.02528 136 137 138 139 140 136 3PY 0.08713 137 3PZ 0.00000 0.08815 138 4XX 0.00000 0.00350 0.00181 139 4YY 0.00000 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 0.00055 -0.00062 0.00031 0.00020 143 4YZ 0.00582 0.00000 0.00000 0.00000 0.00000 144 14 H 1S 0.00000 -0.11485 -0.00796 -0.00865 0.01637 145 2S 0.00000 -0.08621 -0.00768 -0.00620 0.01512 146 15 H 1S 0.00000 0.03142 0.01513 -0.00789 -0.00637 147 2S 0.00000 0.02579 0.01417 -0.00560 -0.00648 148 16 C 1S 0.00817 -0.00352 0.00124 -0.00353 0.00047 149 2S -0.02864 0.01407 -0.00313 0.00600 -0.00127 150 2PX 0.07240 -0.04437 0.00524 -0.00378 0.00115 151 2PY -0.08075 0.04131 -0.00135 -0.00469 0.00001 152 2PZ 0.07851 -0.00982 0.00121 -0.00645 0.00937 153 3S -0.00492 0.00382 -0.00148 0.00802 -0.00493 154 3PX 0.03466 -0.01598 0.00298 -0.00192 -0.00031 155 3PY -0.01944 0.00449 0.00062 -0.00138 -0.00124 156 3PZ 0.03261 -0.00094 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 -0.00158 -0.00221 0.00007 -0.00006 -0.00002 162 4YZ 0.00352 -0.00007 0.00015 0.00010 0.00012 163 17 H 1S 0.02697 -0.01142 -0.00132 0.00672 -0.00234 164 2S 0.03443 -0.01193 -0.00054 0.00420 -0.00191 165 18 C 1S -0.00269 0.00859 0.00036 0.00094 -0.00205 166 2S 0.00982 -0.01781 -0.00085 -0.00196 0.00461 167 2PX 0.00165 -0.02935 0.00728 0.00090 -0.00880 168 2PY -0.01089 -0.01882 -0.00048 0.00078 -0.00047 169 2PZ -0.04176 0.02251 -0.00174 0.00427 -0.00637 170 3S -0.02842 -0.02544 -0.00057 -0.00303 0.00582 171 3PX 0.00724 -0.01661 0.00453 0.00073 -0.00545 172 3PY -0.02261 -0.00102 -0.00022 0.00113 -0.00119 173 3PZ -0.00250 0.01145 -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 -0.02231 0.01052 0.00011 0.00096 -0.00257 181 2S -0.03401 0.01962 -0.00052 0.00135 -0.00282 182 20 C 1S -0.00817 -0.00352 0.00124 -0.00353 0.00047 183 2S 0.02864 0.01407 -0.00313 0.00600 -0.00127 184 2PX -0.07240 -0.04437 0.00524 -0.00378 0.00115 185 2PY -0.08075 -0.04131 0.00135 0.00469 -0.00001 186 2PZ -0.07851 -0.00982 0.00121 -0.00645 0.00937 187 3S 0.00492 0.00383 -0.00148 0.00802 -0.00493 188 3PX -0.03466 -0.01598 0.00298 -0.00192 -0.00031 189 3PY -0.01944 -0.00449 -0.00062 0.00138 0.00124 190 3PZ -0.03261 -0.00094 0.00024 -0.00254 0.00315 191 4XX 0.00141 0.00067 0.00082 -0.00043 -0.00039 192 4YY -0.00286 0.00133 -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 -0.00006 -0.00002 196 4YZ 0.00352 0.00007 -0.00015 -0.00010 -0.00012 197 21 H 1S -0.02697 -0.01142 -0.00132 0.00672 -0.00234 198 2S -0.03443 -0.01193 -0.00054 0.00420 -0.00191 199 22 C 1S 0.00269 0.00859 0.00036 0.00094 -0.00205 200 2S -0.00982 -0.01781 -0.00085 -0.00196 0.00461 201 2PX -0.00166 -0.02935 0.00728 0.00090 -0.00880 202 2PY -0.01089 0.01882 0.00048 -0.00078 0.00047 203 2PZ 0.04176 0.02251 -0.00174 0.00427 -0.00637 204 3S 0.02842 -0.02544 -0.00057 -0.00303 0.00582 205 3PX -0.00724 -0.01661 0.00453 0.00073 -0.00545 206 3PY -0.02261 0.00102 0.00022 -0.00113 0.00119 207 3PZ 0.00250 0.01145 -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 0.03401 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 0.00000 -0.00083 0.00000 0.21453 145 2S 0.00000 -0.00023 0.00000 0.15997 0.14145 146 15 H 1S 0.00000 -0.00847 0.00000 -0.02396 -0.04396 147 2S 0.00000 -0.00740 0.00000 -0.04469 -0.04355 148 16 C 1S 0.00377 -0.00243 0.00390 0.00792 0.01097 149 2S -0.00764 0.00456 -0.00780 -0.01694 -0.02030 150 2PX -0.00483 0.00033 0.00832 0.01896 0.01340 151 2PY -0.00746 0.00600 -0.00791 -0.01545 -0.02755 152 2PZ 0.00751 0.00077 -0.00234 0.02688 0.05864 153 3S -0.00715 0.00390 -0.00690 -0.03785 -0.04638 154 3PX -0.00444 0.00028 0.00536 0.00584 -0.00094 155 3PY -0.00167 0.00200 -0.00273 -0.01044 -0.01929 156 3PZ 0.00585 0.00009 -0.00203 0.01180 0.01929 157 4XX -0.00008 -0.00050 0.00022 -0.00182 -0.00210 158 4YY 0.00035 0.00019 0.00041 -0.00247 -0.00361 159 4ZZ 0.00015 -0.00006 -0.00011 0.00736 0.00790 160 4XY 0.00017 0.00005 0.00025 0.00104 0.00175 161 4XZ -0.00027 0.00009 -0.00014 0.00188 -0.00066 162 4YZ 0.00018 -0.00004 0.00005 -0.00255 0.00032 163 17 H 1S 0.00168 -0.00134 0.00180 -0.00896 -0.00739 164 2S 0.00440 -0.00137 0.00304 -0.00672 -0.00711 165 18 C 1S 0.00023 -0.00046 0.00131 -0.00814 -0.01159 166 2S -0.00005 0.00103 -0.00276 0.01957 0.02717 167 2PX -0.00394 -0.00037 0.00507 -0.02718 -0.07061 168 2PY -0.00089 -0.00094 0.00045 -0.00428 -0.00163 169 2PZ 0.00211 -0.00448 0.00416 -0.01956 -0.02953 170 3S -0.00429 -0.00097 -0.00166 0.03772 0.04767 171 3PX -0.00284 0.00025 0.00259 -0.02106 -0.04778 172 3PY -0.00263 -0.00033 -0.00040 -0.00939 -0.00869 173 3PZ 0.00259 -0.00127 -0.00026 -0.01150 -0.01371 174 4XX 0.00013 -0.00013 -0.00003 -0.00112 -0.00126 175 4YY 0.00024 -0.00011 0.00039 0.00094 0.00096 176 4ZZ -0.00039 0.00030 -0.00018 -0.00183 -0.00260 177 4XY 0.00028 0.00000 -0.00030 -0.00024 -0.00147 178 4XZ 0.00011 0.00014 -0.00034 -0.00131 -0.00077 179 4YZ -0.00003 -0.00018 -0.00018 0.00127 0.00198 180 19 H 1S -0.00011 -0.00062 0.00160 -0.00913 -0.01888 181 2S -0.00117 0.00023 0.00187 -0.01636 -0.02360 182 20 C 1S -0.00377 -0.00243 -0.00390 0.00792 0.01097 183 2S 0.00764 0.00456 0.00780 -0.01694 -0.02030 184 2PX 0.00483 0.00033 -0.00832 0.01896 0.01340 185 2PY -0.00746 -0.00600 -0.00791 0.01545 0.02755 186 2PZ -0.00751 0.00077 0.00234 0.02687 0.05864 187 3S 0.00715 0.00390 0.00690 -0.03785 -0.04638 188 3PX 0.00444 0.00028 -0.00536 0.00584 -0.00094 189 3PY -0.00167 -0.00200 -0.00273 0.01044 0.01929 190 3PZ -0.00585 0.00009 0.00203 0.01180 0.01929 191 4XX 0.00008 -0.00050 -0.00022 -0.00182 -0.00210 192 4YY -0.00035 0.00019 -0.00041 -0.00247 -0.00361 193 4ZZ -0.00015 -0.00006 0.00011 0.00736 0.00790 194 4XY 0.00017 -0.00005 0.00025 -0.00104 -0.00175 195 4XZ 0.00027 0.00009 0.00014 0.00188 -0.00066 196 4YZ 0.00018 0.00004 0.00005 0.00255 -0.00032 197 21 H 1S -0.00168 -0.00134 -0.00180 -0.00896 -0.00739 198 2S -0.00440 -0.00137 -0.00304 -0.00672 -0.00711 199 22 C 1S -0.00023 -0.00046 -0.00131 -0.00814 -0.01159 200 2S 0.00005 0.00103 0.00276 0.01957 0.02717 201 2PX 0.00394 -0.00037 -0.00507 -0.02718 -0.07061 202 2PY -0.00089 0.00094 0.00045 0.00428 0.00163 203 2PZ -0.00211 -0.00448 -0.00416 -0.01956 -0.02953 204 3S 0.00429 -0.00097 0.00166 0.03772 0.04767 205 3PX 0.00284 0.00025 -0.00259 -0.02106 -0.04778 206 3PY -0.00263 0.00033 -0.00040 0.00939 0.00869 207 3PZ -0.00259 -0.00127 0.00026 -0.01150 -0.01371 208 4XX -0.00013 -0.00013 0.00003 -0.00112 -0.00126 209 4YY -0.00024 -0.00011 -0.00039 0.00094 0.00096 210 4ZZ 0.00039 0.00030 0.00018 -0.00183 -0.00260 211 4XY 0.00028 0.00000 -0.00030 0.00024 0.00147 212 4XZ -0.00011 0.00014 0.00034 -0.00131 -0.00077 213 4YZ -0.00003 0.00018 -0.00018 -0.00127 -0.00198 214 23 H 1S 0.00011 -0.00062 -0.00160 -0.00913 -0.01888 215 2S 0.00117 0.00023 -0.00187 -0.01636 -0.02360 146 147 148 149 150 146 15 H 1S 0.21008 147 2S 0.15714 0.14021 148 16 C 1S 0.00917 0.01373 2.05589 149 2S -0.02464 -0.03127 -0.06329 0.33144 150 2PX -0.00058 0.02443 0.00145 -0.00654 0.31536 151 2PY -0.01687 -0.03499 0.00371 0.00249 -0.00023 152 2PZ 0.01761 0.02262 -0.00187 0.00428 0.03445 153 3S -0.02690 -0.02699 -0.20671 0.31134 0.03956 154 3PX 0.00657 0.01419 -0.00760 0.00540 0.18699 155 3PY -0.00455 -0.00819 -0.01132 -0.00267 0.01297 156 3PZ 0.00977 0.00745 0.00377 -0.01379 -0.04062 157 4XX 0.00754 0.00735 -0.01098 -0.01388 0.00440 158 4YY -0.00194 -0.00319 -0.01913 0.00304 -0.00584 159 4ZZ -0.00195 -0.00093 -0.01373 -0.00741 0.00152 160 4XY -0.00360 -0.00104 -0.00043 0.00062 0.00655 161 4XZ 0.00188 -0.00047 -0.00236 0.00502 0.00329 162 4YZ 0.00086 0.00200 -0.00163 0.00339 0.00232 163 17 H 1S -0.00538 -0.00175 -0.06319 0.11911 -0.03746 164 2S -0.00065 0.00107 -0.01549 0.02817 -0.04009 165 18 C 1S 0.00094 -0.00010 0.01657 -0.03100 -0.01753 166 2S -0.00319 -0.00104 -0.03335 0.05697 0.03332 167 2PX 0.03757 0.02060 0.00868 -0.02157 0.16743 168 2PY 0.00224 0.00164 0.02730 -0.06164 -0.02432 169 2PZ -0.00623 -0.00297 0.07318 -0.14672 -0.12722 170 3S 0.00200 0.00933 0.01490 0.00960 0.05451 171 3PX 0.02691 0.01169 -0.00837 0.00934 0.11305 172 3PY 0.00005 -0.00112 0.00690 -0.01092 -0.00524 173 3PZ -0.00511 -0.00203 0.00324 -0.02791 -0.06878 174 4XX 0.00095 0.00048 0.00151 -0.00323 -0.00561 175 4YY -0.00008 0.00004 0.00247 -0.00596 -0.00241 176 4ZZ -0.00144 -0.00164 -0.00512 0.00944 0.00453 177 4XY 0.00117 0.00060 -0.00109 0.00186 -0.00260 178 4XZ -0.00091 -0.00199 -0.00204 0.00373 -0.00963 179 4YZ 0.00041 0.00106 -0.00382 0.00713 0.00296 180 19 H 1S -0.00114 -0.00297 0.01288 -0.02707 -0.01156 181 2S -0.00723 -0.01107 0.01728 -0.02975 -0.02328 182 20 C 1S 0.00917 0.01373 -0.00488 0.00911 0.00609 183 2S -0.02463 -0.03127 0.00911 -0.02480 -0.01322 184 2PX -0.00058 0.02443 0.00609 -0.01322 -0.10530 185 2PY 0.01687 0.03499 -0.01323 0.03584 -0.00046 186 2PZ 0.01761 0.02262 0.00342 -0.00193 0.03554 187 3S -0.02690 -0.02699 0.02222 -0.03424 -0.02559 188 3PX 0.00657 0.01419 0.00605 -0.00917 -0.08739 189 3PY 0.00455 0.00819 -0.01036 0.01534 -0.01742 190 3PZ 0.00977 0.00745 -0.00039 0.00558 0.04919 191 4XX 0.00754 0.00735 0.00056 -0.00212 0.00047 192 4YY -0.00194 -0.00319 -0.00298 0.00643 -0.00208 193 4ZZ -0.00195 -0.00093 0.00081 -0.00217 0.00169 194 4XY 0.00360 0.00104 0.00010 -0.00079 -0.00199 195 4XZ 0.00188 -0.00047 0.00029 -0.00073 0.00095 196 4YZ -0.00086 -0.00200 -0.00040 0.00079 0.00045 197 21 H 1S -0.00538 -0.00175 -0.00895 0.02099 -0.00332 198 2S -0.00065 0.00107 -0.01124 0.02905 0.01433 199 22 C 1S 0.00094 -0.00010 -0.00485 0.01201 -0.00082 200 2S -0.00319 -0.00104 0.01143 -0.02722 0.00379 201 2PX 0.03757 0.02060 -0.00594 0.00886 -0.00496 202 2PY -0.00224 -0.00164 -0.01039 0.03223 0.01249 203 2PZ -0.00623 -0.00297 -0.00934 0.02208 -0.00811 204 3S 0.00200 0.00933 0.00620 -0.03282 -0.02313 205 3PX 0.02691 0.01169 -0.00048 0.00088 -0.01544 206 3PY -0.00005 0.00112 -0.00307 0.01513 0.01912 207 3PZ -0.00511 -0.00203 0.00261 0.00313 0.01219 208 4XX 0.00095 0.00048 -0.00010 0.00046 0.00090 209 4YY -0.00008 0.00004 -0.00149 0.00321 0.00139 210 4ZZ -0.00144 -0.00164 0.00006 0.00026 -0.00172 211 4XY -0.00117 -0.00060 -0.00020 0.00046 -0.00839 212 4XZ -0.00091 -0.00199 -0.00037 0.00096 0.00187 213 4YZ -0.00041 -0.00106 -0.00241 0.00511 0.00474 214 23 H 1S -0.00114 -0.00297 -0.00897 0.02075 0.00408 215 2S -0.00723 -0.01107 -0.01359 0.02908 -0.00060 151 152 153 154 155 151 2PY 0.42636 152 2PZ 0.01290 0.40301 153 3S -0.02362 -0.00878 0.34778 154 3PX 0.01261 -0.02040 0.03015 0.12139 155 3PY 0.13326 0.00871 0.00644 0.00859 0.05358 156 3PZ -0.00687 0.17275 -0.01841 -0.04353 0.00228 157 4XX 0.00350 -0.00536 -0.01164 0.00305 0.00109 158 4YY -0.01409 -0.01207 0.00568 -0.00241 -0.00373 159 4ZZ 0.00581 0.01397 -0.00883 -0.00081 0.00123 160 4XY -0.01016 0.00270 0.00286 0.00275 -0.00209 161 4XZ 0.00318 -0.00145 0.00630 0.00243 0.00207 162 4YZ -0.00916 0.00965 0.00459 0.00011 -0.00199 163 17 H 1S -0.25553 -0.06625 0.13243 -0.02075 -0.07892 164 2S -0.21196 -0.04174 0.04374 -0.02533 -0.05813 165 18 C 1S -0.02190 -0.07271 -0.00805 -0.00162 -0.00840 166 2S 0.03995 0.15470 0.03681 0.00181 0.02300 167 2PX -0.00473 -0.15010 0.03772 0.11266 0.02606 168 2PY -0.01298 -0.13054 -0.02115 -0.00965 0.02048 169 2PZ -0.08652 -0.23920 -0.17109 -0.05887 -0.04446 170 3S 0.06967 0.06872 -0.02745 0.02338 0.01649 171 3PX 0.00680 -0.06970 0.05225 0.07432 0.02246 172 3PY 0.02188 -0.08375 0.00132 0.00450 0.01160 173 3PZ -0.03436 -0.03613 -0.03129 -0.04115 -0.01118 174 4XX -0.00179 -0.00420 -0.00296 -0.00291 -0.00116 175 4YY -0.01058 -0.00786 -0.00533 -0.00115 -0.00307 176 4ZZ 0.00880 0.00062 0.00842 0.00352 0.00213 177 4XY -0.00242 0.00344 0.00463 -0.00266 0.00105 178 4XZ 0.00365 0.00393 0.00073 -0.00582 0.00033 179 4YZ -0.00677 0.00781 0.01033 0.00103 -0.00178 180 19 H 1S 0.00321 -0.04706 -0.05736 -0.00234 -0.00890 181 2S 0.01819 -0.09170 -0.06037 -0.00209 -0.00892 182 20 C 1S 0.01323 0.00342 0.02222 0.00604 0.01036 183 2S -0.03584 -0.00193 -0.03424 -0.00917 -0.01534 184 2PX 0.00046 0.03553 -0.02559 -0.08739 0.01742 185 2PY 0.03906 -0.00361 0.05771 -0.00770 0.01075 186 2PZ 0.00361 -0.04356 -0.07156 0.03730 -0.03047 187 3S -0.05771 -0.07156 -0.02904 -0.01717 -0.01193 188 3PX 0.00770 0.03730 -0.01717 -0.06748 0.01289 189 3PY 0.01075 0.03047 0.01193 -0.01289 -0.00363 190 3PZ 0.02650 -0.05370 -0.02179 0.04347 -0.00752 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 -0.00089 0.00053 -0.00171 -0.00033 -0.00110 195 4XZ -0.00216 0.00124 0.00103 0.00021 0.00065 196 4YZ 0.00072 0.00037 0.00162 0.00050 0.00024 197 21 H 1S 0.02900 -0.01434 0.04222 -0.00518 0.01185 198 2S 0.05705 -0.03236 0.05015 0.00967 0.02249 199 22 C 1S 0.01446 0.00750 0.01209 -0.00083 0.00361 200 2S -0.03230 -0.02773 -0.03595 0.00475 -0.01271 201 2PX 0.00547 0.00854 0.07504 -0.01895 0.04423 202 2PY 0.02038 0.03872 0.00511 0.01454 -0.02444 203 2PZ 0.02272 -0.00027 0.07332 -0.00310 0.00984 204 3S -0.11013 0.05768 -0.03218 -0.02433 -0.03482 205 3PX -0.00142 -0.00569 0.03713 -0.01859 0.02621 206 3PY 0.03797 -0.00599 0.00013 0.01731 -0.00097 207 3PZ 0.01494 -0.05753 0.01444 0.01579 0.00075 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 0.00095 -0.00041 -0.00088 -0.00029 211 4XY 0.00069 0.00644 -0.00129 -0.00569 -0.00061 212 4XZ 0.00093 -0.00090 0.00029 0.00226 -0.00098 213 4YZ 0.00554 0.00783 0.00811 0.00257 0.00283 214 23 H 1S 0.01551 0.02823 0.04451 0.00254 0.00315 215 2S 0.02823 0.06260 0.05035 -0.00333 0.00884 156 157 158 159 160 156 3PZ 0.09381 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 -0.00147 -0.00012 0.00001 -0.00019 0.00000 162 4YZ 0.00318 -0.00035 0.00020 0.00000 0.00043 163 17 H 1S -0.02010 -0.00726 0.01364 -0.00887 0.00564 164 2S -0.00185 -0.00432 0.01181 -0.00640 0.00496 165 18 C 1S -0.01382 0.00228 0.00284 -0.00568 -0.00077 166 2S 0.04138 -0.00497 -0.00623 0.01026 0.00168 167 2PX -0.08798 0.00573 0.00308 -0.00767 0.00297 168 2PY -0.05888 0.00165 0.00950 -0.00653 0.00226 169 2PZ -0.08061 0.00689 0.00628 -0.00120 -0.00353 170 3S -0.01121 0.00034 -0.00996 0.01086 -0.00024 171 3PX -0.04678 0.00239 0.00190 -0.00521 0.00202 172 3PY -0.04186 0.00158 0.00245 -0.00328 -0.00033 173 3PZ 0.00106 0.00017 0.00254 0.00038 -0.00088 174 4XX 0.00013 0.00020 0.00019 -0.00031 -0.00017 175 4YY -0.00283 0.00009 0.00075 -0.00032 0.00024 176 4ZZ -0.00085 -0.00019 -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 -0.02464 0.00193 -0.00239 0.00409 -0.00201 181 2S -0.04025 0.00267 -0.00061 0.00077 -0.00289 182 20 C 1S -0.00039 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 -0.00208 0.00169 0.00199 185 2PY -0.02650 0.00422 -0.01251 0.00449 -0.00089 186 2PZ -0.05370 0.00314 -0.00425 0.00157 -0.00053 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 -0.04813 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 -0.01865 0.00094 -0.00372 0.00075 -0.00062 198 2S -0.03100 0.00137 -0.00413 0.00011 -0.00082 199 22 C 1S 0.00513 0.00022 -0.00140 0.00018 -0.00085 200 2S -0.01854 -0.00014 0.00345 -0.00031 0.00199 201 2PX 0.03181 0.00033 0.00211 -0.00511 0.00228 202 2PY 0.02742 0.00131 -0.00673 0.00100 -0.00301 203 2PZ 0.01264 0.00033 -0.00311 0.00096 -0.00235 204 3S 0.03726 -0.00176 0.00375 0.00141 0.00356 205 3PX 0.01550 0.00005 0.00266 -0.00405 0.00134 206 3PY -0.00779 0.00141 -0.00410 0.00098 -0.00155 207 3PZ -0.02867 0.00132 -0.00012 -0.00103 -0.00118 208 4XX -0.00080 0.00011 -0.00010 -0.00008 -0.00013 209 4YY 0.00063 -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 -0.00096 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 0.00597 0.21366 164 2S -0.00057 0.00524 0.15465 0.13512 165 18 C 1S -0.00186 -0.00340 0.01213 0.01192 2.05355 166 2S 0.00350 0.00685 -0.02455 -0.02093 -0.06412 167 2PX 0.01149 -0.00393 0.00529 0.01101 0.00138 168 2PY -0.00104 0.00834 0.03113 0.05959 0.00025 169 2PZ -0.00421 -0.00922 0.03317 0.04478 -0.00207 170 3S 0.00253 0.00258 -0.06098 -0.06040 -0.16687 171 3PX 0.00821 -0.00115 0.00425 0.00529 -0.00106 172 3PY 0.00037 0.00115 0.00120 0.00470 0.00347 173 3PZ -0.00232 -0.00150 0.02122 0.02507 -0.00653 174 4XX -0.00022 -0.00030 0.00072 0.00094 -0.01193 175 4YY -0.00011 0.00026 0.00617 0.00691 -0.01738 176 4ZZ 0.00028 -0.00047 -0.00299 -0.00534 -0.01815 177 4XY 0.00027 0.00020 0.00251 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 0.00131 -0.00747 -0.01722 -0.01946 -0.01329 182 20 C 1S 0.00029 0.00040 -0.00895 -0.01124 -0.00485 183 2S -0.00073 -0.00079 0.02099 0.02905 0.01201 184 2PX 0.00095 -0.00045 -0.00332 0.01433 -0.00082 185 2PY 0.00216 0.00072 -0.02900 -0.05705 -0.01446 186 2PZ 0.00124 -0.00037 -0.01434 -0.03236 0.00750 187 3S 0.00103 -0.00162 0.04222 0.05015 0.01209 188 3PX 0.00021 -0.00050 -0.00518 0.00967 -0.00083 189 3PY -0.00065 0.00024 -0.01185 -0.02249 -0.00361 190 3PZ 0.00128 -0.00196 -0.01865 -0.03100 0.00513 191 4XX -0.00010 0.00011 0.00094 0.00137 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 0.00006 0.00429 0.01970 0.02544 -0.03329 201 2PX 0.00919 -0.00078 0.00915 0.02888 0.00200 202 2PY -0.00049 -0.01003 -0.03143 -0.06050 0.07815 203 2PZ -0.00338 -0.00170 -0.00869 -0.02240 -0.00471 204 3S -0.00297 0.00647 0.05356 0.05854 -0.00217 205 3PX 0.00640 -0.00031 0.01134 0.02587 0.00268 206 3PY 0.00063 -0.00395 -0.02845 -0.04015 0.01171 207 3PZ -0.00149 -0.00164 -0.00296 -0.01149 0.00024 208 4XX -0.00004 -0.00024 -0.00023 -0.00099 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 -0.00050 -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 0.34555 168 2PY 0.00330 0.00295 0.41953 169 2PZ -0.00494 0.03446 -0.00855 0.40631 170 3S 0.25603 0.01044 -0.00885 0.05250 0.27303 171 3PX 0.00297 0.21781 0.00999 -0.02358 0.00204 172 3PY -0.01855 0.01865 0.13631 0.00934 -0.00011 173 3PZ 0.02690 -0.02979 -0.00161 0.11704 0.01518 174 4XX -0.01398 -0.00287 -0.00191 0.00174 -0.01043 175 4YY -0.00239 0.00199 0.01285 0.00772 -0.00158 176 4ZZ -0.00115 0.00399 -0.01516 -0.00415 0.00070 177 4XY -0.00219 0.00355 0.00285 -0.00719 -0.00612 178 4XZ 0.00611 -0.00578 -0.00645 0.00379 0.00392 179 4YZ -0.00474 -0.00781 0.00405 -0.01409 -0.00748 180 19 H 1S 0.11706 0.07935 -0.15425 0.20134 0.13193 181 2S 0.02370 0.07026 -0.12881 0.17557 0.05961 182 20 C 1S 0.01143 -0.00594 0.01039 -0.00934 0.00620 183 2S -0.02722 0.00886 -0.03223 0.02208 -0.03282 184 2PX 0.00379 -0.00496 -0.01249 -0.00811 -0.02313 185 2PY 0.03230 -0.00547 0.02038 -0.02272 0.11013 186 2PZ -0.02773 0.00854 -0.03872 -0.00027 0.05768 187 3S -0.03595 0.07504 -0.00510 0.07332 -0.03218 188 3PX 0.00475 -0.01895 -0.01454 -0.00310 -0.02433 189 3PY 0.01271 -0.04423 -0.02445 -0.00984 0.03482 190 3PZ -0.01854 0.03181 -0.02742 0.01264 0.03726 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 -0.00511 -0.00100 0.00096 0.00141 194 4XY -0.00199 -0.00228 -0.00301 0.00235 -0.00356 195 4XZ 0.00006 0.00919 0.00049 -0.00338 -0.00297 196 4YZ -0.00429 0.00078 -0.01003 0.00170 -0.00647 197 21 H 1S 0.01970 0.00915 0.03143 -0.00869 0.05356 198 2S 0.02544 0.02888 0.06050 -0.02240 0.05854 199 22 C 1S -0.03329 0.00200 -0.07815 -0.00471 -0.00217 200 2S 0.05778 0.00379 0.16107 0.01443 0.03532 201 2PX 0.00379 0.19927 0.00862 -0.05878 -0.06923 202 2PY -0.16107 -0.00862 -0.31831 -0.02244 -0.12017 203 2PZ 0.01443 -0.05878 0.02244 0.03983 -0.01788 204 3S 0.03532 -0.06923 0.12017 -0.01788 -0.01991 205 3PX -0.00240 0.13634 0.01430 -0.03192 -0.04537 206 3PY -0.04009 0.00864 -0.09527 -0.00469 -0.00929 207 3PZ -0.00886 -0.00620 0.03056 0.04610 0.00377 208 4XX -0.00488 0.00027 -0.00678 0.00114 -0.00238 209 4YY 0.01258 -0.00019 0.00646 -0.00270 0.01062 210 4ZZ -0.00752 0.00097 -0.01183 -0.00011 -0.00906 211 4XY -0.00004 -0.01357 -0.00084 -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 -0.00596 214 23 H 1S -0.02603 -0.00336 -0.04439 -0.01973 -0.06124 215 2S -0.02437 -0.01940 -0.07837 -0.04378 -0.06426 171 172 173 174 175 171 3PX 0.14492 172 3PY 0.01391 0.05522 173 3PZ -0.03055 -0.00520 0.05198 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 -0.00181 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 0.02732 -0.04524 0.05714 -0.00407 -0.00137 181 2S 0.02335 -0.02891 0.03769 -0.00068 -0.00079 182 20 C 1S -0.00048 0.00307 0.00261 -0.00010 -0.00149 183 2S 0.00088 -0.01513 0.00313 0.00046 0.00321 184 2PX -0.01544 -0.01912 0.01219 0.00090 0.00139 185 2PY 0.00142 0.03796 -0.01494 -0.00009 -0.00444 186 2PZ -0.00569 0.00599 -0.05753 -0.00150 0.00452 187 3S 0.03713 -0.00013 0.01444 0.00074 0.00463 188 3PX -0.01859 -0.01731 0.01579 0.00101 0.00016 189 3PY -0.02621 -0.00097 -0.00075 0.00046 -0.00253 190 3PZ 0.01550 0.00779 -0.02867 -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 -0.00405 -0.00098 -0.00103 -0.00008 0.00036 194 4XY -0.00134 -0.00155 0.00118 0.00013 -0.00002 195 4XZ 0.00640 -0.00063 -0.00149 -0.00004 0.00020 196 4YZ 0.00031 -0.00395 0.00164 0.00024 -0.00035 197 21 H 1S 0.01134 0.02845 -0.00296 -0.00023 -0.00203 198 2S 0.02587 0.04015 -0.01149 -0.00099 -0.00197 199 22 C 1S 0.00268 -0.01171 0.00024 0.00213 -0.00701 200 2S -0.00240 0.04009 -0.00886 -0.00488 0.01258 201 2PX 0.13634 -0.00864 -0.00620 0.00027 -0.00019 202 2PY -0.01430 -0.09527 -0.03055 0.00678 -0.00646 203 2PZ -0.03192 0.00469 0.04610 0.00114 -0.00270 204 3S -0.04537 0.00929 0.00377 -0.00238 0.01062 205 3PX 0.09277 -0.00140 -0.00691 0.00029 0.00079 206 3PY 0.00140 -0.02147 -0.01711 0.00123 -0.00208 207 3PZ -0.00691 0.01711 0.01441 0.00013 0.00074 208 4XX 0.00029 -0.00123 0.00013 0.00029 -0.00045 209 4YY 0.00079 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 0.00218 0.00015 -0.00004 212 4XZ -0.00024 -0.00032 -0.00081 -0.00001 0.00011 213 4YZ 0.00179 -0.00087 -0.00261 -0.00005 -0.00019 214 23 H 1S 0.00043 -0.02322 0.00247 0.00108 0.00059 215 2S -0.00526 -0.03486 0.00208 0.00174 -0.00294 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 -0.00524 0.00571 -0.01296 0.21460 181 2S 0.00468 -0.00482 0.00392 -0.01150 0.16044 182 20 C 1S 0.00006 0.00020 -0.00037 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 0.00408 185 2PY -0.00040 0.00069 -0.00093 0.00554 -0.01551 186 2PZ 0.00095 -0.00644 -0.00090 -0.00783 0.02823 187 3S -0.00041 0.00129 0.00029 -0.00811 0.04451 188 3PX -0.00088 0.00569 0.00226 -0.00257 0.00254 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 0.00050 -0.00020 0.00222 -0.01000 198 2S -0.00006 0.00037 -0.00097 0.00211 -0.01895 199 22 C 1S 0.00325 -0.00002 0.00054 -0.00025 0.01278 200 2S -0.00752 0.00004 -0.00151 0.00001 -0.02603 201 2PX 0.00097 0.01357 -0.00078 0.00001 -0.00336 202 2PY 0.01183 -0.00084 0.00182 0.00126 0.04439 203 2PZ -0.00012 0.00038 0.00038 0.01309 -0.01973 204 3S -0.00906 0.00252 -0.00130 0.00596 -0.06124 205 3PX 0.00010 0.00868 -0.00024 -0.00179 0.00043 206 3PY 0.00446 -0.00153 0.00032 -0.00087 0.02322 207 3PZ -0.00004 -0.00218 -0.00081 0.00261 0.00247 208 4XX 0.00031 -0.00015 -0.00001 0.00005 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 -0.00278 212 4XZ 0.00014 -0.00029 0.00005 0.00011 0.00032 213 4YZ 0.00020 0.00039 -0.00011 0.00085 -0.00742 214 23 H 1S 0.00191 0.00278 0.00032 0.00742 -0.01557 215 2S 0.00346 0.00276 0.00127 0.00699 -0.01614 181 182 183 184 185 181 2S 0.14180 182 20 C 1S -0.01359 2.05589 183 2S 0.02908 -0.06329 0.33144 184 2PX -0.00060 0.00145 -0.00654 0.31536 185 2PY -0.02822 -0.00371 -0.00249 0.00023 0.42636 186 2PZ 0.06260 -0.00187 0.00428 0.03445 -0.01290 187 3S 0.05035 -0.20671 0.31134 0.03956 0.02362 188 3PX -0.00333 -0.00760 0.00540 0.18699 -0.01261 189 3PY -0.00884 0.01132 0.00267 -0.01297 0.13326 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 0.01409 193 4ZZ 0.00042 -0.01373 -0.00741 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 -0.00339 -0.00232 -0.00916 197 21 H 1S -0.01718 -0.06319 0.11911 -0.03746 0.25553 198 2S -0.02273 -0.01549 0.02817 -0.04009 0.21196 199 22 C 1S 0.01418 0.01657 -0.03100 -0.01753 0.02190 200 2S -0.02437 -0.03335 0.05697 0.03332 -0.03995 201 2PX -0.01940 0.00868 -0.02157 0.16743 0.00473 202 2PY 0.07837 -0.02730 0.06164 0.02432 -0.01298 203 2PZ -0.04378 0.07318 -0.14672 -0.12723 0.08652 204 3S -0.06427 0.01490 0.00960 0.05451 -0.06967 205 3PX -0.00526 -0.00837 0.00934 0.11305 -0.00680 206 3PY 0.03486 -0.00690 0.01092 0.00523 0.02189 207 3PZ 0.00208 0.00324 -0.02791 -0.06878 0.03436 208 4XX 0.00174 0.00151 -0.00323 -0.00561 0.00179 209 4YY -0.00294 0.00247 -0.00596 -0.00241 0.01058 210 4ZZ 0.00346 -0.00512 0.00944 0.00453 -0.00880 211 4XY -0.00276 0.00109 -0.00186 0.00260 -0.00242 212 4XZ 0.00127 -0.00204 0.00373 -0.00963 -0.00365 213 4YZ -0.00699 0.00382 -0.00712 -0.00296 -0.00677 214 23 H 1S -0.01614 0.01288 -0.02707 -0.01156 -0.00321 215 2S -0.01856 0.01728 -0.02976 -0.02328 -0.01819 186 187 188 189 190 186 2PZ 0.40301 187 3S -0.00878 0.34778 188 3PX -0.02040 0.03015 0.12139 189 3PY -0.00871 -0.00644 -0.00859 0.05358 190 3PZ 0.17275 -0.01841 -0.04353 -0.00228 0.09381 191 4XX -0.00536 -0.01164 0.00305 -0.00109 -0.00264 192 4YY -0.01207 0.00568 -0.00241 0.00373 -0.00336 193 4ZZ 0.01397 -0.00883 -0.00081 -0.00123 0.00524 194 4XY -0.00270 -0.00286 -0.00275 -0.00209 -0.00053 195 4XZ -0.00145 0.00630 0.00243 -0.00207 -0.00147 196 4YZ -0.00965 -0.00459 -0.00011 -0.00199 -0.00318 197 21 H 1S -0.06626 0.13243 -0.02075 0.07892 -0.02010 198 2S -0.04174 0.04374 -0.02533 0.05813 -0.00185 199 22 C 1S -0.07271 -0.00805 -0.00162 0.00840 -0.01382 200 2S 0.15470 0.03681 0.00181 -0.02300 0.04138 201 2PX -0.15010 0.03772 0.11266 -0.02606 -0.08798 202 2PY 0.13054 0.02115 0.00965 0.02048 0.05888 203 2PZ -0.23920 -0.17109 -0.05887 0.04446 -0.08061 204 3S 0.06872 -0.02745 0.02338 -0.01649 -0.01121 205 3PX -0.06970 0.05225 0.07432 -0.02246 -0.04678 206 3PY 0.08375 -0.00132 -0.00450 0.01160 0.04186 207 3PZ -0.03613 -0.03129 -0.04115 0.01118 0.00106 208 4XX -0.00420 -0.00296 -0.00291 0.00116 0.00013 209 4YY -0.00786 -0.00533 -0.00115 0.00307 -0.00283 210 4ZZ 0.00062 0.00842 0.00352 -0.00213 -0.00085 211 4XY -0.00344 -0.00463 0.00266 0.00105 -0.00320 212 4XZ 0.00393 0.00073 -0.00582 -0.00033 0.00281 213 4YZ -0.00781 -0.01033 -0.00103 -0.00178 -0.00345 214 23 H 1S -0.04706 -0.05736 -0.00234 0.00890 -0.02464 215 2S -0.09170 -0.06037 -0.00209 0.00892 -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 0.00001 -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 0.00009 198 2S -0.00432 0.01181 -0.00640 -0.00496 -0.00057 199 22 C 1S 0.00228 0.00284 -0.00568 0.00077 -0.00186 200 2S -0.00497 -0.00623 0.01026 -0.00168 0.00350 201 2PX 0.00573 0.00309 -0.00767 -0.00297 0.01149 202 2PY -0.00165 -0.00950 0.00653 0.00226 0.00104 203 2PZ 0.00688 0.00628 -0.00120 0.00353 -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 -0.00158 -0.00245 0.00328 -0.00033 -0.00037 207 3PZ 0.00017 0.00254 0.00038 0.00088 -0.00232 208 4XX 0.00020 0.00019 -0.00031 0.00017 -0.00022 209 4YY 0.00009 0.00075 -0.00032 -0.00024 -0.00011 210 4ZZ -0.00019 -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 0.00409 0.00201 0.00209 215 2S 0.00267 -0.00061 0.00077 0.00289 0.00131 196 197 198 199 200 196 4YZ 0.00098 197 21 H 1S -0.00597 0.21366 198 2S -0.00524 0.15465 0.13512 199 22 C 1S 0.00340 0.01213 0.01192 2.05355 200 2S -0.00685 -0.02455 -0.02093 -0.06412 0.33134 201 2PX 0.00393 0.00529 0.01101 0.00138 -0.00479 202 2PY 0.00835 -0.03113 -0.05959 -0.00025 -0.00330 203 2PZ 0.00922 0.03317 0.04478 -0.00207 -0.00494 204 3S -0.00258 -0.06098 -0.06040 -0.16687 0.25603 205 3PX 0.00115 0.00425 0.00529 -0.00106 0.00297 206 3PY 0.00115 -0.00120 -0.00470 -0.00347 0.01855 207 3PZ 0.00150 0.02122 0.02507 -0.00653 0.02690 208 4XX 0.00030 0.00072 0.00094 -0.01193 -0.01398 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 -0.00124 0.00219 212 4XZ 0.00011 -0.00064 -0.00102 -0.00282 0.00611 213 4YZ 0.00055 -0.00543 -0.00283 -0.00254 0.00474 214 23 H 1S 0.00622 -0.01575 -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 0.34555 202 2PY -0.00295 0.41953 203 2PZ 0.03446 0.00855 0.40631 204 3S 0.01044 0.00885 0.05250 0.27303 205 3PX 0.21781 -0.00999 -0.02358 0.00204 0.14492 206 3PY -0.01865 0.13631 -0.00933 0.00011 -0.01391 207 3PZ -0.02979 0.00161 0.11704 0.01518 -0.03055 208 4XX -0.00287 0.00191 0.00174 -0.01043 -0.00211 209 4YY 0.00199 -0.01285 0.00772 -0.00158 0.00035 210 4ZZ 0.00399 0.01516 -0.00415 0.00070 0.00282 211 4XY -0.00355 0.00285 0.00719 0.00612 -0.00320 212 4XZ -0.00578 0.00645 0.00379 0.00392 -0.00371 213 4YZ 0.00781 0.00405 0.01409 0.00748 0.00314 214 23 H 1S 0.07935 0.15425 0.20134 0.13193 0.02732 215 2S 0.07026 0.12881 0.17557 0.05961 0.02335 206 207 208 209 210 206 3PY 0.05522 207 3PZ 0.00520 0.05198 208 4XX 0.00000 0.00010 0.00081 209 4YY -0.00349 0.00162 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 0.00042 0.00266 -0.00021 0.00011 0.00016 214 23 H 1S 0.04524 0.05714 -0.00407 -0.00137 0.00482 215 2S 0.02891 0.03769 -0.00068 -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 0.00524 0.00571 0.01296 0.21460 215 2S 0.00482 0.00392 0.01150 0.16044 0.14180 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05568 2 2S -0.01303 0.31926 3 2PX 0.00000 0.00000 0.35917 4 2PY 0.00000 0.00000 0.00000 0.42056 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.38844 6 3S -0.04301 0.27661 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.12383 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07432 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.11112 10 4XX -0.00101 -0.00763 0.00000 0.00000 0.00000 11 4YY -0.00130 -0.00138 0.00000 0.00000 0.00000 12 4ZZ -0.00124 -0.00297 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 -0.00051 0.00000 -0.00255 0.00000 17 2S -0.00051 0.01091 0.00000 0.03913 0.00000 18 2PX 0.00000 0.00000 0.01380 0.00000 0.00000 19 2PY -0.00255 0.03913 0.00000 0.09867 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00810 21 3S 0.00178 -0.00340 0.00000 0.03292 0.00000 22 3PX 0.00000 0.00000 0.02010 0.00000 0.00000 23 3PY 0.00047 0.00779 0.00000 0.02182 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.01162 25 4XX 0.00000 -0.00042 0.00000 -0.00103 0.00000 26 4YY -0.00024 0.00321 0.00000 0.00241 0.00000 27 4ZZ 0.00000 -0.00046 0.00000 -0.00122 0.00000 28 4XY 0.00000 0.00000 0.00198 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 0.00200 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00005 -0.00003 -0.00021 -0.00001 33 2PX 0.00000 -0.00005 -0.00002 -0.00018 -0.00002 34 2PY 0.00000 -0.00013 -0.00002 -0.00036 -0.00004 35 2PZ 0.00000 -0.00004 0.00001 -0.00005 -0.00001 36 3S -0.00001 -0.00052 0.00008 -0.00274 -0.00078 37 3PX 0.00000 -0.00020 0.00003 -0.00035 -0.00035 38 3PY -0.00018 0.00155 0.00023 0.00175 0.00010 39 3PZ 0.00002 -0.00044 -0.00013 -0.00014 0.00015 40 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 41 4YY 0.00000 0.00002 0.00001 0.00008 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00001 0.00001 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 0.00000 -0.00002 49 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 50 2PZ 0.00000 0.00000 -0.00003 -0.00001 0.00001 51 3S 0.00001 0.00003 -0.00039 -0.00008 -0.00011 52 3PX 0.00002 -0.00032 0.00027 -0.00004 -0.00044 53 3PY 0.00001 0.00008 0.00003 -0.00008 -0.00012 54 3PZ 0.00002 -0.00024 -0.00073 -0.00024 0.00033 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 -0.00007 -0.00016 0.00000 -0.00014 63 2PX 0.00000 -0.00014 -0.00015 0.00000 -0.00029 64 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 65 2PZ 0.00000 -0.00015 -0.00036 0.00000 -0.00020 66 3S 0.00010 -0.00259 -0.00360 0.00003 -0.00348 67 3PX 0.00007 -0.00159 -0.00076 0.00001 -0.00291 68 3PY 0.00000 -0.00002 -0.00006 -0.00039 -0.00005 69 3PZ 0.00006 -0.00146 -0.00285 0.00001 -0.00121 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00003 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00001 0.00002 0.00000 0.00002 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00030 -0.00077 -0.00045 -0.00057 77 2S -0.00030 0.00788 0.01434 0.00887 0.01088 78 2PX -0.00078 0.01385 0.00634 0.01400 0.02134 79 2PY -0.00041 0.00642 0.01359 0.00101 0.00845 80 2PZ -0.00053 0.00942 0.02139 0.00845 0.00194 81 3S 0.00054 0.00299 0.01336 0.00746 0.00960 82 3PX 0.00051 0.00086 0.00026 0.00173 0.00398 83 3PY 0.00051 0.00200 0.00515 0.00200 0.00286 84 3PZ 0.00034 -0.00069 0.00401 0.00096 0.00131 85 4XX -0.00003 0.00051 -0.00067 0.00091 0.00089 86 4YY 0.00001 -0.00027 -0.00008 -0.00037 -0.00030 87 4ZZ -0.00001 0.00004 0.00015 0.00028 -0.00043 88 4XY -0.00008 0.00110 0.00045 0.00012 0.00159 89 4XZ -0.00006 0.00079 0.00018 0.00081 -0.00009 90 4YZ -0.00007 0.00101 0.00190 0.00013 0.00015 91 7 H 1S -0.00201 0.03202 0.01166 0.02441 0.06302 92 2S -0.00093 0.01132 0.00749 0.01281 0.03868 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 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 -0.00003 0.00000 0.00000 145 2S 0.00000 -0.00005 -0.00048 -0.00011 0.00010 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00003 0.00021 0.00000 0.00002 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 0.00394 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 0.01077 0.00062 0.00627 189 3PY 0.00002 0.00011 0.00002 0.00059 0.00004 190 3PZ -0.00001 -0.00024 0.00603 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 -0.00101 -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 0.00011 205 3PX 0.00003 -0.00067 -0.00021 0.00000 -0.00045 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 6 7 8 9 10 6 3S 0.55232 7 3PX 0.00000 0.14605 8 3PY 0.00000 0.00000 0.07150 9 3PZ 0.00000 0.00000 0.00000 0.11604 10 4XX -0.00566 0.00000 0.00000 0.00000 0.00093 11 4YY -0.00391 0.00000 0.00000 0.00000 -0.00004 12 4ZZ -0.00169 0.00000 0.00000 0.00000 0.00007 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 0.00178 0.00000 0.00047 0.00000 0.00000 17 2S -0.00340 0.00000 0.00779 0.00000 -0.00042 18 2PX 0.00000 0.02010 0.00000 0.00000 0.00000 19 2PY 0.03292 0.00000 0.02182 0.00000 -0.00103 20 2PZ 0.00000 0.00000 0.00000 0.01162 0.00000 21 3S -0.10120 0.00000 -0.03113 0.00000 -0.00099 22 3PX 0.00000 0.03187 0.00000 0.00000 0.00000 23 3PY -0.03113 0.00000 0.00235 0.00000 -0.00090 24 3PZ 0.00000 0.00000 0.00000 0.01819 0.00000 25 4XX -0.00099 0.00000 -0.00090 0.00000 0.00002 26 4YY 0.00430 0.00000 0.00141 0.00000 -0.00005 27 4ZZ -0.00117 0.00000 -0.00126 0.00000 0.00001 28 4XY 0.00000 0.00133 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 0.00105 0.00000 31 3 C 1S -0.00006 0.00000 0.00000 -0.00002 0.00000 32 2S 0.00002 -0.00043 -0.00126 0.00019 0.00000 33 2PX -0.00031 0.00004 -0.00053 -0.00004 0.00000 34 2PY -0.00367 -0.00016 -0.00429 -0.00033 0.00000 35 2PZ -0.00065 -0.00022 -0.00011 0.00018 0.00000 36 3S 0.00235 0.00137 -0.00324 -0.00119 0.00002 37 3PX 0.00012 0.00023 0.00148 -0.00047 -0.00001 38 3PY 0.00663 0.00033 0.00251 0.00070 -0.00003 39 3PZ -0.00234 -0.00063 0.00042 0.00086 0.00002 40 4XX -0.00012 -0.00010 -0.00044 0.00008 0.00000 41 4YY 0.00025 0.00007 0.00055 -0.00005 0.00000 42 4ZZ -0.00011 0.00007 -0.00003 -0.00003 0.00000 43 4XY -0.00011 0.00000 -0.00022 0.00002 0.00000 44 4XZ -0.00002 0.00000 -0.00003 0.00000 0.00000 45 4YZ -0.00015 0.00009 -0.00012 0.00003 0.00000 46 4 C 1S 0.00000 0.00002 0.00000 0.00001 0.00000 47 2S 0.00019 -0.00041 0.00002 -0.00002 0.00000 48 2PX -0.00004 0.00024 0.00019 -0.00003 0.00000 49 2PY -0.00013 -0.00019 -0.00009 -0.00022 0.00000 50 2PZ -0.00004 -0.00056 -0.00015 0.00022 0.00000 51 3S 0.00483 -0.00212 0.00249 -0.00064 -0.00002 52 3PX -0.00107 0.00068 0.00060 -0.00044 -0.00002 53 3PY 0.00259 -0.00014 0.00003 -0.00054 -0.00002 54 3PZ -0.00162 -0.00207 -0.00084 0.00037 0.00003 55 4XX 0.00000 -0.00001 -0.00001 0.00003 0.00000 56 4YY 0.00000 -0.00002 0.00001 0.00000 0.00000 57 4ZZ -0.00001 0.00002 0.00000 -0.00001 0.00000 58 4XY -0.00004 -0.00002 0.00001 -0.00003 0.00000 59 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 60 4YZ -0.00003 -0.00003 0.00001 -0.00002 0.00000 61 5 C 1S 0.00013 0.00012 0.00000 0.00009 0.00000 62 2S -0.00287 -0.00238 0.00001 -0.00163 0.00000 63 2PX -0.00384 -0.00151 0.00004 -0.00210 0.00000 64 2PY -0.00003 -0.00001 -0.00041 -0.00001 0.00000 65 2PZ -0.00384 -0.00360 0.00004 -0.00144 0.00002 66 3S -0.02427 -0.00916 0.00001 -0.00688 0.00005 67 3PX -0.00849 -0.00104 0.00008 -0.00359 -0.00006 68 3PY -0.00001 -0.00011 -0.00287 -0.00008 0.00000 69 3PZ -0.00590 -0.00551 0.00007 -0.00112 0.00019 70 4XX 0.00013 0.00001 0.00000 0.00025 0.00000 71 4YY 0.00000 -0.00010 0.00000 -0.00007 0.00000 72 4ZZ 0.00007 0.00029 0.00000 0.00001 0.00000 73 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 74 4XZ 0.00004 0.00006 0.00000 0.00007 0.00000 75 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 76 6 C 1S 0.00111 -0.00015 -0.00113 0.00030 -0.00003 77 2S -0.00103 0.00615 0.00854 0.00211 0.00057 78 2PX 0.02073 -0.00081 0.00926 0.01084 -0.00034 79 2PY 0.01427 0.00896 0.00172 0.00722 0.00042 80 2PZ 0.01510 0.01426 0.00590 -0.00214 0.00051 81 3S -0.02454 0.00659 0.00600 0.00098 0.00109 82 3PX -0.00728 0.00260 0.00242 0.00091 -0.00041 83 3PY -0.00764 0.00197 0.00028 -0.00076 0.00022 84 3PZ -0.00176 0.00411 0.00012 0.00136 0.00062 85 4XX 0.00352 -0.00091 0.00019 0.00192 0.00000 86 4YY -0.00166 0.00012 -0.00035 -0.00078 -0.00003 87 4ZZ 0.00038 0.00090 -0.00023 -0.00054 -0.00003 88 4XY 0.00143 -0.00001 0.00000 0.00052 0.00000 89 4XZ 0.00044 0.00000 0.00009 0.00003 -0.00001 90 4YZ 0.00113 0.00061 0.00001 -0.00001 -0.00006 91 7 H 1S 0.04244 0.00670 0.00826 0.03508 -0.00082 92 2S -0.00198 0.00637 0.00644 0.03463 -0.00081 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 0.00000 0.00000 0.00000 -0.00001 0.00000 96 2S -0.00040 -0.00008 -0.00002 -0.00021 0.00000 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 -0.00078 0.00049 -0.00012 0.00000 119 3S 0.00042 0.00241 -0.00225 0.00156 0.00000 120 3PX -0.01955 0.00002 0.00291 -0.00449 -0.00005 121 3PY -0.00984 -0.00552 0.00208 -0.00293 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 -0.00156 -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 -0.00055 -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 -0.00057 -0.00056 0.00015 0.00013 0.00000 145 2S -0.00161 -0.00041 0.00006 0.00041 0.00002 146 15 H 1S 0.00002 0.00008 0.00000 0.00001 0.00000 147 2S 0.00059 0.00226 -0.00008 0.00029 -0.00001 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 -0.00212 -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 -0.00002 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 0.01104 0.00002 0.00774 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 0.00397 0.00031 188 3PX -0.00103 0.01408 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 0.00204 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 0.00021 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 11 12 13 14 15 11 4YY 0.00091 12 4ZZ -0.00008 0.00090 13 4XY 0.00000 0.00000 0.00093 14 4XZ 0.00000 0.00000 0.00000 0.00064 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00124 16 2 C 1S -0.00024 0.00000 0.00000 0.00000 0.00000 17 2S 0.00321 -0.00046 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00198 0.00000 0.00000 19 2PY 0.00241 -0.00122 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00200 21 3S 0.00430 -0.00117 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00133 0.00000 0.00000 23 3PY 0.00141 -0.00126 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00105 25 4XX -0.00005 0.00001 0.00000 0.00000 0.00000 26 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 27 4ZZ -0.00003 0.00002 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 -0.00008 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 -0.00024 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00001 0.00000 0.00001 33 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 34 2PY 0.00001 0.00000 0.00003 0.00000 0.00001 35 2PZ 0.00001 0.00000 0.00002 0.00000 0.00000 36 3S -0.00001 0.00005 0.00006 0.00000 0.00007 37 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 38 3PY 0.00004 -0.00008 0.00007 0.00000 0.00004 39 3PZ 0.00001 0.00001 0.00002 0.00000 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 0.00000 -0.00003 -0.00001 -0.00003 52 3PX -0.00001 0.00004 -0.00001 0.00001 -0.00002 53 3PY 0.00001 0.00000 0.00001 -0.00001 0.00001 54 3PZ 0.00000 -0.00002 -0.00002 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 0.00001 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00001 0.00000 0.00002 0.00000 66 3S -0.00001 0.00017 0.00000 0.00001 0.00000 67 3PX -0.00008 0.00032 0.00000 0.00006 0.00000 68 3PY 0.00000 0.00000 -0.00003 0.00000 -0.00003 69 3PZ -0.00008 0.00005 0.00000 0.00004 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 -0.00001 -0.00006 -0.00006 -0.00004 77 2S -0.00026 0.00003 0.00090 0.00091 0.00061 78 2PX -0.00022 -0.00004 0.00042 0.00032 0.00097 79 2PY -0.00028 0.00001 0.00001 0.00095 0.00001 80 2PZ -0.00013 -0.00031 0.00095 0.00007 0.00011 81 3S -0.00059 0.00013 0.00029 0.00028 0.00033 82 3PX 0.00021 0.00045 0.00000 0.00000 0.00016 83 3PY 0.00014 -0.00039 -0.00008 0.00009 -0.00007 84 3PZ -0.00012 -0.00032 0.00010 0.00001 0.00002 85 4XX -0.00007 0.00001 -0.00001 -0.00001 -0.00006 86 4YY 0.00002 -0.00003 0.00000 -0.00006 0.00000 87 4ZZ -0.00004 0.00001 -0.00007 0.00001 -0.00002 88 4XY -0.00001 -0.00007 0.00002 0.00000 0.00001 89 4XZ -0.00004 0.00001 0.00000 0.00003 -0.00001 90 4YZ -0.00001 -0.00001 -0.00001 0.00002 0.00001 91 7 H 1S -0.00082 0.00259 0.00051 0.00090 0.00280 92 2S -0.00120 0.00297 0.00012 0.00013 0.00056 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 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 -0.00001 0.00000 0.00000 0.00002 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 0.00001 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 0.00027 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 16 17 18 19 20 16 2 C 1S 2.05568 17 2S -0.01303 0.31926 18 2PX 0.00000 0.00000 0.35917 19 2PY 0.00000 0.00000 0.00000 0.42056 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.38844 21 3S -0.04301 0.27661 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.12383 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07432 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.11112 25 4XX -0.00101 -0.00763 0.00000 0.00000 0.00000 26 4YY -0.00130 -0.00138 0.00000 0.00000 0.00000 27 4ZZ -0.00124 -0.00297 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 -0.00077 -0.00045 -0.00057 32 2S -0.00030 0.00788 0.01434 0.00887 0.01088 33 2PX -0.00078 0.01385 0.00634 0.01400 0.02134 34 2PY -0.00041 0.00642 0.01359 0.00101 0.00845 35 2PZ -0.00053 0.00942 0.02139 0.00845 0.00194 36 3S 0.00054 0.00299 0.01337 0.00746 0.00960 37 3PX 0.00051 0.00086 0.00026 0.00173 0.00398 38 3PY 0.00051 0.00200 0.00515 0.00200 0.00286 39 3PZ 0.00034 -0.00069 0.00401 0.00096 0.00131 40 4XX -0.00003 0.00051 -0.00067 0.00091 0.00089 41 4YY 0.00001 -0.00027 -0.00008 -0.00037 -0.00030 42 4ZZ -0.00001 0.00004 0.00015 0.00028 -0.00043 43 4XY -0.00008 0.00110 0.00045 0.00012 0.00159 44 4XZ -0.00006 0.00079 0.00018 0.00081 -0.00009 45 4YZ -0.00007 0.00101 0.00190 0.00013 0.00015 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00007 -0.00016 0.00000 -0.00014 48 2PX 0.00000 -0.00014 -0.00015 0.00000 -0.00029 49 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 50 2PZ 0.00000 -0.00015 -0.00036 0.00000 -0.00020 51 3S 0.00010 -0.00259 -0.00360 0.00003 -0.00348 52 3PX 0.00007 -0.00159 -0.00076 0.00001 -0.00291 53 3PY 0.00000 -0.00002 -0.00006 -0.00039 -0.00005 54 3PZ 0.00006 -0.00146 -0.00285 0.00001 -0.00121 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00003 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00001 0.00002 0.00000 0.00002 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 0.00000 63 2PX 0.00000 -0.00001 0.00001 0.00000 -0.00002 64 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 65 2PZ 0.00000 0.00000 -0.00003 -0.00001 0.00001 66 3S 0.00001 0.00003 -0.00039 -0.00008 -0.00011 67 3PX 0.00002 -0.00032 0.00027 -0.00004 -0.00044 68 3PY 0.00001 0.00008 0.00003 -0.00008 -0.00012 69 3PZ 0.00002 -0.00024 -0.00073 -0.00024 0.00033 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 -0.00005 -0.00003 -0.00021 -0.00001 78 2PX 0.00000 -0.00005 -0.00002 -0.00018 -0.00002 79 2PY 0.00000 -0.00013 -0.00002 -0.00036 -0.00004 80 2PZ 0.00000 -0.00004 0.00001 -0.00005 -0.00001 81 3S -0.00001 -0.00052 0.00008 -0.00274 -0.00078 82 3PX 0.00000 -0.00020 0.00003 -0.00035 -0.00035 83 3PY -0.00018 0.00155 0.00023 0.00175 0.00010 84 3PZ 0.00002 -0.00044 -0.00013 -0.00014 0.00015 85 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 86 4YY 0.00000 0.00002 0.00001 0.00008 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 91 7 H 1S 0.00000 -0.00018 -0.00003 -0.00052 -0.00007 92 2S 0.00021 -0.00300 -0.00045 -0.00609 -0.00122 93 8 H 1S -0.00201 0.03202 0.01166 0.02441 0.06302 94 2S -0.00093 0.01132 0.00749 0.01281 0.03868 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00011 0.00022 0.00002 0.00019 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 -0.00003 0.00000 0.00000 145 2S 0.00000 -0.00005 -0.00048 -0.00011 0.00010 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00003 0.00021 0.00000 0.00002 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 -0.00042 0.01077 0.00062 0.00627 155 3PY 0.00002 0.00011 0.00002 0.00059 0.00004 156 3PZ -0.00001 -0.00024 0.00603 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 -0.00100 -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 0.00011 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 21 22 23 24 25 21 3S 0.55232 22 3PX 0.00000 0.14605 23 3PY 0.00000 0.00000 0.07150 24 3PZ 0.00000 0.00000 0.00000 0.11604 25 4XX -0.00566 0.00000 0.00000 0.00000 0.00093 26 4YY -0.00391 0.00000 0.00000 0.00000 -0.00004 27 4ZZ -0.00169 0.00000 0.00000 0.00000 0.00007 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 0.00111 -0.00015 -0.00113 0.00030 -0.00003 32 2S -0.00103 0.00615 0.00854 0.00211 0.00057 33 2PX 0.02073 -0.00081 0.00926 0.01084 -0.00034 34 2PY 0.01427 0.00896 0.00172 0.00722 0.00042 35 2PZ 0.01510 0.01426 0.00590 -0.00214 0.00051 36 3S -0.02454 0.00659 0.00600 0.00098 0.00109 37 3PX -0.00728 0.00260 0.00242 0.00091 -0.00041 38 3PY -0.00764 0.00197 0.00028 -0.00076 0.00022 39 3PZ -0.00176 0.00411 0.00012 0.00136 0.00062 40 4XX 0.00352 -0.00091 0.00019 0.00192 0.00000 41 4YY -0.00166 0.00012 -0.00035 -0.00078 -0.00003 42 4ZZ 0.00038 0.00090 -0.00023 -0.00054 -0.00003 43 4XY 0.00143 -0.00001 0.00000 0.00052 0.00000 44 4XZ 0.00044 0.00000 0.00009 0.00003 -0.00001 45 4YZ 0.00113 0.00061 0.00001 -0.00001 -0.00006 46 4 C 1S 0.00013 0.00012 0.00000 0.00009 0.00000 47 2S -0.00287 -0.00238 0.00001 -0.00163 0.00000 48 2PX -0.00384 -0.00151 0.00004 -0.00210 0.00000 49 2PY -0.00003 -0.00001 -0.00041 -0.00001 0.00000 50 2PZ -0.00384 -0.00360 0.00004 -0.00144 0.00002 51 3S -0.02427 -0.00916 0.00001 -0.00688 0.00005 52 3PX -0.00849 -0.00104 0.00008 -0.00359 -0.00006 53 3PY -0.00001 -0.00011 -0.00287 -0.00008 0.00000 54 3PZ -0.00590 -0.00551 0.00007 -0.00112 0.00019 55 4XX 0.00013 0.00001 0.00000 0.00025 0.00000 56 4YY 0.00000 -0.00010 0.00000 -0.00007 0.00000 57 4ZZ 0.00007 0.00029 0.00000 0.00001 0.00000 58 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 59 4XZ 0.00004 0.00006 0.00000 0.00007 0.00000 60 4YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 61 5 C 1S 0.00000 0.00002 0.00000 0.00001 0.00000 62 2S 0.00019 -0.00041 0.00002 -0.00002 0.00000 63 2PX -0.00004 0.00024 0.00019 -0.00003 0.00000 64 2PY -0.00013 -0.00019 -0.00009 -0.00022 0.00000 65 2PZ -0.00004 -0.00056 -0.00015 0.00022 0.00000 66 3S 0.00483 -0.00212 0.00249 -0.00064 -0.00002 67 3PX -0.00107 0.00068 0.00060 -0.00044 -0.00002 68 3PY 0.00259 -0.00014 0.00003 -0.00054 -0.00002 69 3PZ -0.00162 -0.00207 -0.00084 0.00037 0.00003 70 4XX 0.00000 -0.00001 -0.00001 0.00003 0.00000 71 4YY 0.00000 -0.00002 0.00001 0.00000 0.00000 72 4ZZ -0.00001 0.00002 0.00000 -0.00001 0.00000 73 4XY -0.00004 -0.00002 0.00001 -0.00003 0.00000 74 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 75 4YZ -0.00003 -0.00003 0.00001 -0.00002 0.00000 76 6 C 1S -0.00006 0.00000 0.00000 -0.00002 0.00000 77 2S 0.00002 -0.00043 -0.00126 0.00019 0.00000 78 2PX -0.00031 0.00004 -0.00053 -0.00004 0.00000 79 2PY -0.00367 -0.00016 -0.00429 -0.00033 0.00000 80 2PZ -0.00065 -0.00021 -0.00011 0.00018 0.00000 81 3S 0.00235 0.00137 -0.00324 -0.00119 0.00002 82 3PX 0.00012 0.00023 0.00148 -0.00047 -0.00001 83 3PY 0.00663 0.00033 0.00251 0.00070 -0.00003 84 3PZ -0.00234 -0.00063 0.00042 0.00086 0.00002 85 4XX -0.00012 -0.00010 -0.00044 0.00008 0.00000 86 4YY 0.00025 0.00007 0.00055 -0.00005 0.00000 87 4ZZ -0.00011 0.00007 -0.00003 -0.00003 0.00000 88 4XY -0.00011 0.00000 -0.00022 0.00002 0.00000 89 4XZ -0.00002 0.00000 -0.00003 0.00000 0.00000 90 4YZ -0.00015 0.00009 -0.00012 0.00003 0.00000 91 7 H 1S -0.00323 -0.00020 -0.00353 -0.00074 0.00000 92 2S -0.00506 -0.00093 -0.00598 -0.00293 0.00015 93 8 H 1S 0.04244 0.00670 0.00826 0.03508 -0.00082 94 2S -0.00198 0.00637 0.00644 0.03463 -0.00081 95 9 H 1S 0.00009 0.00012 0.00002 0.00009 0.00000 96 2S 0.00247 0.00208 0.00015 0.00158 0.00000 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 -0.00412 -0.00006 0.00124 -0.00127 0.00000 102 2PY -0.00297 -0.00210 0.00122 -0.00132 0.00000 103 2PZ -0.00189 -0.00078 0.00049 -0.00012 0.00000 104 3S 0.00042 0.00241 -0.00225 0.00156 0.00000 105 3PX -0.01955 0.00002 0.00291 -0.00449 -0.00005 106 3PY -0.00984 -0.00552 0.00208 -0.00293 0.00002 107 3PZ -0.00927 -0.00328 0.00139 -0.00075 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 0.00109 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 -0.00156 -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 -0.00055 -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 -0.00057 -0.00056 0.00015 0.00013 0.00000 145 2S -0.00161 -0.00041 0.00006 0.00041 0.00002 146 15 H 1S 0.00002 0.00008 0.00000 0.00001 0.00000 147 2S 0.00059 0.00226 -0.00008 0.00029 -0.00001 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 0.00073 0.00095 0.00010 0.00002 152 2PZ 0.00016 0.00590 0.00001 0.00028 0.00010 153 3S 0.00009 -0.00485 -0.00075 0.00397 0.00031 154 3PX -0.00103 0.01408 0.00033 0.01234 0.00020 155 3PY -0.00028 -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 0.00204 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 0.00021 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 -0.00247 -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 -0.00078 -0.00001 205 3PX -0.00150 -0.00115 0.00087 -0.00469 0.00000 206 3PY -0.00044 -0.00089 -0.00005 -0.00111 -0.00001 207 3PZ -0.00212 -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 -0.00002 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 26 27 28 29 30 26 4YY 0.00091 27 4ZZ -0.00008 0.00090 28 4XY 0.00000 0.00000 0.00093 29 4XZ 0.00000 0.00000 0.00000 0.00064 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00124 31 3 C 1S 0.00000 -0.00001 -0.00006 -0.00006 -0.00004 32 2S -0.00026 0.00003 0.00090 0.00091 0.00061 33 2PX -0.00022 -0.00004 0.00042 0.00032 0.00097 34 2PY -0.00028 0.00001 0.00001 0.00095 0.00001 35 2PZ -0.00013 -0.00031 0.00095 0.00007 0.00011 36 3S -0.00059 0.00013 0.00029 0.00028 0.00033 37 3PX 0.00021 0.00045 0.00000 0.00000 0.00016 38 3PY 0.00014 -0.00039 -0.00008 0.00009 -0.00007 39 3PZ -0.00012 -0.00032 0.00010 0.00001 0.00002 40 4XX -0.00007 0.00001 -0.00001 -0.00001 -0.00006 41 4YY 0.00002 -0.00003 0.00000 -0.00006 0.00000 42 4ZZ -0.00004 0.00001 -0.00007 0.00001 -0.00002 43 4XY -0.00001 -0.00007 0.00002 0.00000 0.00001 44 4XZ -0.00004 0.00001 0.00000 0.00003 -0.00001 45 4YZ -0.00001 -0.00001 -0.00001 0.00002 0.00001 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00001 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00001 0.00000 0.00002 0.00000 51 3S -0.00001 0.00017 0.00000 0.00001 0.00000 52 3PX -0.00008 0.00032 0.00000 0.00006 0.00000 53 3PY 0.00000 0.00000 -0.00003 0.00000 -0.00003 54 3PZ -0.00008 0.00005 0.00000 0.00004 0.00000 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 0.00000 0.00000 -0.00003 -0.00001 -0.00003 67 3PX -0.00001 0.00004 -0.00001 0.00001 -0.00002 68 3PY 0.00001 0.00000 0.00001 -0.00001 0.00001 69 3PZ 0.00000 -0.00002 -0.00002 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 0.00000 0.00000 0.00001 0.00000 0.00001 78 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 79 2PY 0.00001 0.00000 0.00003 0.00000 0.00001 80 2PZ 0.00001 0.00000 0.00002 0.00000 0.00000 81 3S -0.00001 0.00005 0.00006 0.00000 0.00007 82 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 83 3PY 0.00004 -0.00008 0.00007 0.00000 0.00004 84 3PZ 0.00001 0.00001 0.00002 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 0.00002 0.00000 0.00001 0.00000 0.00007 92 2S -0.00011 0.00009 0.00006 0.00000 0.00029 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 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 -0.00001 0.00000 0.00000 0.00002 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 0.00001 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 31 32 33 34 35 31 3 C 1S 2.05392 32 2S -0.01557 0.35893 33 2PX 0.00000 0.00000 0.35087 34 2PY 0.00000 0.00000 0.00000 0.42510 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.35653 36 3S -0.02739 0.20451 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.05640 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 -0.00515 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.05810 40 4XX -0.00093 -0.00981 0.00000 0.00000 0.00000 41 4YY -0.00120 -0.00270 0.00000 0.00000 0.00000 42 4ZZ -0.00093 -0.00970 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 -0.00026 -0.00049 -0.00043 -0.00073 47 2S -0.00028 0.00716 0.00885 0.00704 0.01360 48 2PX -0.00050 0.00950 0.00117 0.00852 0.01984 49 2PY -0.00046 0.00910 0.00882 0.00174 0.01422 50 2PZ -0.00073 0.01366 0.01915 0.01408 0.00749 51 3S 0.00113 -0.00317 0.01366 0.01452 0.01730 52 3PX 0.00035 0.00128 -0.00115 0.00654 0.01085 53 3PY -0.00108 0.00732 0.00670 0.00178 0.01040 54 3PZ 0.00024 0.00296 0.01049 0.01010 -0.00073 55 4XX -0.00001 0.00014 -0.00024 0.00012 0.00012 56 4YY 0.00000 -0.00021 -0.00008 -0.00032 -0.00011 57 4ZZ -0.00003 0.00057 0.00039 0.00045 -0.00040 58 4XY -0.00004 0.00062 0.00011 0.00004 0.00094 59 4XZ -0.00005 0.00076 0.00000 0.00088 0.00023 60 4YZ -0.00006 0.00093 0.00095 0.00004 0.00048 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00006 -0.00004 -0.00016 -0.00006 63 2PX 0.00000 -0.00002 -0.00001 -0.00006 0.00001 64 2PY 0.00000 -0.00025 -0.00009 -0.00044 -0.00018 65 2PZ 0.00000 -0.00003 0.00001 -0.00003 -0.00003 66 3S -0.00007 0.00016 -0.00024 -0.00428 0.00002 67 3PX -0.00003 0.00015 0.00011 -0.00045 -0.00001 68 3PY 0.00001 -0.00151 -0.00011 -0.00440 0.00002 69 3PZ -0.00003 0.00000 -0.00010 -0.00025 0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00001 0.00001 0.00002 0.00001 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00001 0.00000 0.00002 0.00002 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00001 0.00002 0.00004 0.00001 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 -0.00002 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 -0.00002 0.00000 -0.00006 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00003 -0.00046 0.00000 -0.00063 0.00000 82 3PX 0.00000 0.00000 -0.00009 0.00000 0.00000 83 3PY 0.00010 -0.00131 0.00000 0.00073 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00008 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 0.00009 0.00010 0.00012 0.00008 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 -0.00015 -0.00028 -0.00002 -0.00036 96 2S 0.00025 -0.00361 -0.00429 0.00010 -0.00534 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 0.01506 0.00409 -0.00047 102 2PY -0.00177 0.04211 0.00403 0.09889 0.00215 103 2PZ -0.00002 0.00037 -0.00048 0.00208 0.01544 104 3S -0.00099 -0.01111 -0.00016 0.00932 -0.00011 105 3PX -0.00015 0.00107 0.02910 0.00355 -0.00053 106 3PY -0.00836 0.06337 0.00338 0.05265 0.00189 107 3PZ -0.00007 0.00056 -0.00054 0.00187 0.02852 108 4XX 0.00002 -0.00068 0.00005 -0.00080 -0.00002 109 4YY -0.00079 0.00759 0.00075 0.00902 0.00040 110 4ZZ 0.00001 -0.00070 -0.00002 -0.00090 0.00002 111 4XY -0.00004 0.00024 0.00379 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 0.00001 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 -0.00002 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 36 37 38 39 40 36 3S 0.22046 37 3PX 0.00000 0.05210 38 3PY 0.00000 0.00000 0.03644 39 3PZ 0.00000 0.00000 0.00000 0.05181 40 4XX -0.00462 0.00000 0.00000 0.00000 0.00204 41 4YY -0.00426 0.00000 0.00000 0.00000 -0.00034 42 4ZZ -0.00435 0.00000 0.00000 0.00000 0.00030 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 0.00008 0.00026 -0.00016 0.00020 0.00000 47 2S 0.00629 -0.00061 0.00445 0.00121 -0.00002 48 2PX 0.00958 0.00159 0.00363 0.00433 -0.00035 49 2PY 0.00841 0.00158 0.00200 0.00187 0.00019 50 2PZ 0.01501 0.00298 0.00641 0.00009 0.00008 51 3S -0.00860 -0.00054 -0.00371 -0.00732 0.00035 52 3PX 0.00231 0.00276 0.00017 0.00236 -0.00060 53 3PY 0.00501 0.00051 0.00063 0.00281 -0.00020 54 3PZ 0.00612 0.00292 0.00181 0.00150 0.00099 55 4XX 0.00030 -0.00029 -0.00027 0.00048 0.00000 56 4YY -0.00055 -0.00015 0.00012 0.00021 -0.00003 57 4ZZ 0.00077 0.00059 0.00003 -0.00044 0.00001 58 4XY 0.00035 0.00002 -0.00007 0.00016 -0.00001 59 4XZ 0.00024 0.00000 0.00003 0.00000 0.00000 60 4YZ 0.00044 0.00011 -0.00010 0.00000 -0.00009 61 5 C 1S 0.00001 0.00002 -0.00015 0.00000 0.00000 62 2S -0.00076 -0.00036 0.00164 -0.00018 0.00000 63 2PX -0.00082 0.00020 -0.00036 -0.00029 0.00000 64 2PY -0.00264 -0.00051 0.00265 -0.00039 -0.00001 65 2PZ -0.00074 -0.00032 -0.00009 0.00006 0.00001 66 3S 0.00047 -0.00163 0.00462 0.00045 -0.00008 67 3PX -0.00098 0.00056 -0.00023 -0.00055 -0.00008 68 3PY -0.00446 -0.00003 0.00244 0.00164 -0.00006 69 3PZ -0.00025 -0.00086 0.00034 0.00025 0.00013 70 4XX 0.00003 0.00001 -0.00008 0.00002 0.00000 71 4YY 0.00002 0.00000 0.00007 0.00001 0.00000 72 4ZZ 0.00005 0.00002 -0.00006 0.00000 0.00000 73 4XY 0.00008 0.00000 0.00007 0.00004 0.00000 74 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00011 0.00003 0.00010 0.00000 0.00000 76 6 C 1S 0.00003 0.00000 0.00010 0.00000 0.00000 77 2S -0.00046 0.00000 -0.00131 0.00000 0.00000 78 2PX 0.00000 -0.00009 0.00000 0.00000 0.00000 79 2PY -0.00063 0.00000 0.00073 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 81 3S -0.00335 0.00000 -0.00472 0.00000 0.00001 82 3PX 0.00000 0.00018 0.00000 0.00000 0.00000 83 3PY -0.00472 0.00000 -0.00123 0.00000 0.00003 84 3PZ 0.00000 0.00000 0.00000 0.00027 0.00000 85 4XX 0.00001 0.00000 0.00003 0.00000 0.00000 86 4YY -0.00002 0.00000 0.00008 0.00000 0.00000 87 4ZZ 0.00002 0.00000 0.00002 0.00000 0.00000 88 4XY 0.00000 -0.00002 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 -0.00003 0.00000 91 7 H 1S 0.00008 0.00004 0.00000 0.00002 0.00000 92 2S 0.00099 0.00045 -0.00012 0.00030 0.00000 93 8 H 1S -0.00246 -0.00089 -0.00043 0.00003 0.00001 94 2S -0.00885 -0.00224 -0.00086 0.00093 0.00009 95 9 H 1S -0.00263 0.00005 -0.00052 -0.00111 0.00002 96 2S -0.01118 0.00051 -0.00117 -0.00275 0.00043 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 -0.01278 -0.00001 -0.00063 101 2PX 0.00081 0.02075 -0.00030 -0.00013 0.00021 102 2PY 0.02242 0.00035 -0.00514 0.00029 -0.00137 103 2PZ 0.00017 -0.00013 -0.00005 0.02061 0.00000 104 3S -0.07474 -0.00054 -0.01898 -0.00026 -0.00225 105 3PX 0.00173 0.04686 -0.00053 -0.00020 -0.00017 106 3PY 0.04166 0.00055 -0.00168 0.00042 -0.00386 107 3PZ 0.00026 -0.00020 -0.00008 0.04604 0.00002 108 4XX -0.00042 -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 0.00003 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 0.00009 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 0.00001 0.00000 0.00000 0.00000 145 2S 0.00009 0.00014 0.00009 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 -0.00001 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 -0.00027 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 -0.00069 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 -0.00113 -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 -0.00001 -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 41 42 43 44 45 41 4YY 0.00224 42 4ZZ -0.00029 0.00197 43 4XY 0.00000 0.00000 0.00342 44 4XZ 0.00000 0.00000 0.00000 0.00061 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00360 46 4 C 1S 0.00001 -0.00003 -0.00006 -0.00005 -0.00008 47 2S -0.00023 0.00060 0.00101 0.00074 0.00129 48 2PX -0.00010 0.00073 0.00013 -0.00007 0.00161 49 2PY -0.00042 0.00095 0.00020 0.00076 0.00021 50 2PZ -0.00019 -0.00054 0.00179 0.00015 0.00059 51 3S -0.00105 0.00290 0.00108 0.00032 0.00148 52 3PX -0.00025 0.00159 -0.00003 0.00004 0.00047 53 3PY -0.00026 0.00007 -0.00001 0.00009 0.00000 54 3PZ -0.00029 -0.00044 0.00049 0.00000 -0.00001 55 4XX -0.00002 0.00001 -0.00001 0.00000 -0.00005 56 4YY 0.00002 -0.00006 -0.00001 -0.00003 -0.00001 57 4ZZ -0.00005 0.00000 -0.00004 0.00001 -0.00001 58 4XY 0.00000 -0.00009 0.00002 0.00001 -0.00001 59 4XZ -0.00007 0.00002 0.00001 0.00003 0.00001 60 4YZ 0.00000 -0.00001 -0.00002 -0.00002 0.00003 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00002 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00001 -0.00001 0.00000 0.00002 64 2PY 0.00009 -0.00001 0.00001 0.00000 0.00001 65 2PZ 0.00001 0.00000 0.00002 0.00000 -0.00001 66 3S 0.00025 -0.00019 -0.00011 -0.00002 -0.00014 67 3PX -0.00004 0.00015 0.00005 0.00001 0.00009 68 3PY 0.00042 -0.00027 -0.00014 -0.00001 -0.00024 69 3PZ 0.00002 -0.00012 0.00013 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 -0.00002 0.00002 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 83 3PY 0.00008 0.00002 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 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 -0.00001 0.00000 0.00001 0.00000 0.00000 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 -0.00001 0.00004 0.00000 0.00004 0.00000 96 2S -0.00022 0.00034 -0.00004 0.00013 -0.00005 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 0.00000 0.00613 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 0.00018 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 0.00006 -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 46 47 48 49 50 46 4 C 1S 2.05475 47 2S -0.01447 0.33271 48 2PX 0.00000 0.00000 0.36087 49 2PY 0.00000 0.00000 0.00000 0.44126 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.37298 51 3S -0.03653 0.25912 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10876 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.06838 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.10538 55 4XX -0.00118 -0.00616 0.00000 0.00000 0.00000 56 4YY -0.00144 -0.00041 0.00000 0.00000 0.00000 57 4ZZ -0.00126 -0.00468 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 -0.00076 0.00000 -0.00366 0.00000 62 2S -0.00076 0.01418 0.00000 0.04863 0.00000 63 2PX 0.00000 0.00000 0.02111 0.00000 0.00000 64 2PY -0.00366 0.04863 0.00000 0.10806 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.01699 66 3S 0.00141 -0.00485 0.00000 0.03376 0.00000 67 3PX 0.00000 0.00000 0.02883 0.00000 0.00000 68 3PY -0.00039 0.01070 0.00000 0.01596 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.02321 70 4XX 0.00000 -0.00055 0.00000 -0.00136 0.00000 71 4YY -0.00031 0.00347 0.00000 0.00224 0.00000 72 4ZZ 0.00000 -0.00059 0.00000 -0.00143 0.00000 73 4XY 0.00000 0.00000 0.00253 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 0.00257 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00006 -0.00002 -0.00025 -0.00003 78 2PX 0.00000 -0.00004 -0.00001 -0.00009 0.00001 79 2PY 0.00000 -0.00016 -0.00006 -0.00044 -0.00003 80 2PZ 0.00000 -0.00006 0.00001 -0.00018 -0.00003 81 3S 0.00001 -0.00076 -0.00082 -0.00264 -0.00074 82 3PX 0.00002 -0.00036 0.00020 -0.00051 -0.00032 83 3PY -0.00015 0.00164 -0.00036 0.00265 -0.00009 84 3PZ 0.00000 -0.00018 -0.00029 -0.00039 0.00006 85 4XX 0.00000 0.00000 0.00000 -0.00001 0.00001 86 4YY 0.00000 0.00002 0.00000 0.00009 0.00001 87 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 88 4XY 0.00000 0.00000 -0.00001 0.00001 0.00002 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00002 0.00001 -0.00001 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 0.00001 0.00000 -0.00002 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 -0.00203 0.03238 0.03259 0.02845 0.03884 96 2S -0.00099 0.01091 0.02044 0.01519 0.02409 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 -0.00080 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 51 52 53 54 55 51 3S 0.46608 52 3PX 0.00000 0.11495 53 3PY 0.00000 0.00000 0.06208 54 3PZ 0.00000 0.00000 0.00000 0.10581 55 4XX -0.00366 0.00000 0.00000 0.00000 0.00068 56 4YY -0.00280 0.00000 0.00000 0.00000 -0.00004 57 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00014 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 0.00141 0.00000 -0.00039 0.00000 0.00000 62 2S -0.00485 0.00000 0.01070 0.00000 -0.00055 63 2PX 0.00000 0.02883 0.00000 0.00000 0.00000 64 2PY 0.03376 0.00000 0.01596 0.00000 -0.00136 65 2PZ 0.00000 0.00000 0.00000 0.02321 0.00000 66 3S -0.09995 0.00000 -0.02371 0.00000 -0.00095 67 3PX 0.00000 0.04503 0.00000 0.00000 0.00000 68 3PY -0.02371 0.00000 0.00037 0.00000 -0.00101 69 3PZ 0.00000 0.00000 0.00000 0.03615 0.00000 70 4XX -0.00095 0.00000 -0.00101 0.00000 0.00003 71 4YY 0.00386 0.00000 0.00099 0.00000 -0.00005 72 4ZZ -0.00125 0.00000 -0.00120 0.00000 0.00001 73 4XY 0.00000 0.00121 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 0.00117 0.00000 76 6 C 1S -0.00007 -0.00003 0.00001 -0.00003 0.00000 77 2S 0.00016 0.00015 -0.00151 0.00000 0.00000 78 2PX -0.00024 0.00011 -0.00011 -0.00010 0.00000 79 2PY -0.00428 -0.00045 -0.00440 -0.00025 0.00000 80 2PZ 0.00002 -0.00001 0.00002 0.00001 0.00000 81 3S 0.00047 -0.00098 -0.00446 -0.00025 0.00003 82 3PX -0.00163 0.00056 -0.00003 -0.00086 0.00001 83 3PY 0.00462 -0.00023 0.00244 0.00034 -0.00008 84 3PZ 0.00045 -0.00055 0.00164 0.00025 0.00002 85 4XX -0.00008 -0.00008 -0.00006 0.00013 0.00000 86 4YY 0.00025 -0.00004 0.00042 0.00002 0.00000 87 4ZZ -0.00019 0.00015 -0.00027 -0.00012 0.00000 88 4XY -0.00011 0.00005 -0.00014 0.00013 0.00000 89 4XZ -0.00002 0.00001 -0.00001 0.00000 0.00000 90 4YZ -0.00014 0.00009 -0.00024 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00001 -0.00001 0.00000 92 2S -0.00028 0.00006 -0.00002 -0.00026 0.00000 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 0.04278 0.01618 0.00929 0.01971 0.00021 96 2S 0.00483 0.01601 0.00680 0.01825 0.00096 97 10 H 1S -0.00358 -0.00029 -0.00303 -0.00051 0.00000 98 2S -0.00543 -0.00154 -0.00623 -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 -0.00154 0.00005 0.00038 -0.00038 0.00000 102 2PY -0.00352 -0.00128 0.00166 -0.00272 0.00000 103 2PZ -0.00400 -0.00075 0.00162 -0.00008 0.00000 104 3S 0.00072 0.00173 -0.00223 0.00285 0.00000 105 3PX -0.00767 0.00022 0.00101 -0.00176 -0.00001 106 3PY -0.01264 -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 0.00139 -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 -0.00001 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 0.00005 -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 -0.00132 -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 0.00001 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 -0.00015 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 0.00000 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 56 57 58 59 60 56 4YY 0.00077 57 4ZZ -0.00007 0.00072 58 4XY 0.00000 0.00000 0.00111 59 4XZ 0.00000 0.00000 0.00000 0.00067 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00126 61 5 C 1S -0.00031 0.00000 0.00000 0.00000 0.00000 62 2S 0.00347 -0.00059 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00253 0.00000 0.00000 64 2PY 0.00224 -0.00143 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00257 66 3S 0.00386 -0.00125 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00121 0.00000 0.00000 68 3PY 0.00099 -0.00120 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00117 70 4XX -0.00005 0.00001 0.00000 0.00000 0.00000 71 4YY 0.00003 -0.00004 0.00000 0.00000 0.00000 72 4ZZ -0.00004 0.00003 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00012 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 -0.00018 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00001 0.00000 0.00001 0.00000 0.00001 78 2PX 0.00001 0.00000 0.00000 0.00000 0.00002 79 2PY 0.00002 0.00000 0.00002 0.00000 0.00004 80 2PZ 0.00001 0.00000 0.00002 0.00000 0.00001 81 3S 0.00002 0.00005 0.00008 0.00001 0.00011 82 3PX 0.00000 0.00002 0.00000 0.00000 0.00003 83 3PY 0.00007 -0.00006 0.00007 0.00000 0.00010 84 3PZ 0.00001 0.00000 0.00004 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 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S -0.00060 0.00043 0.00166 0.00174 0.00206 96 2S -0.00097 0.00106 0.00035 0.00026 0.00044 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 61 62 63 64 65 61 5 C 1S 2.05475 62 2S -0.01447 0.33271 63 2PX 0.00000 0.00000 0.36087 64 2PY 0.00000 0.00000 0.00000 0.44126 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.37298 66 3S -0.03653 0.25912 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.10876 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.06838 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.10538 70 4XX -0.00118 -0.00616 0.00000 0.00000 0.00000 71 4YY -0.00144 -0.00041 0.00000 0.00000 0.00000 72 4ZZ -0.00126 -0.00468 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 -0.00028 -0.00050 -0.00046 -0.00073 77 2S -0.00026 0.00716 0.00950 0.00910 0.01366 78 2PX -0.00049 0.00885 0.00117 0.00882 0.01915 79 2PY -0.00043 0.00704 0.00852 0.00174 0.01408 80 2PZ -0.00073 0.01360 0.01984 0.01422 0.00749 81 3S 0.00008 0.00629 0.00958 0.00841 0.01501 82 3PX 0.00026 -0.00061 0.00159 0.00158 0.00298 83 3PY -0.00016 0.00445 0.00363 0.00200 0.00641 84 3PZ 0.00020 0.00121 0.00433 0.00187 0.00009 85 4XX 0.00000 -0.00002 -0.00035 0.00019 0.00008 86 4YY 0.00001 -0.00023 -0.00010 -0.00042 -0.00019 87 4ZZ -0.00003 0.00060 0.00073 0.00095 -0.00054 88 4XY -0.00006 0.00101 0.00013 0.00020 0.00179 89 4XZ -0.00005 0.00074 -0.00007 0.00076 0.00015 90 4YZ -0.00008 0.00129 0.00161 0.00021 0.00059 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00012 0.00021 0.00003 0.00020 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 -0.00021 -0.00005 -0.00064 -0.00008 96 2S 0.00021 -0.00302 -0.00085 -0.00723 -0.00121 97 10 H 1S -0.00203 0.03238 0.03259 0.02845 0.03884 98 2S -0.00099 0.01091 0.02044 0.01519 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 66 67 68 69 70 66 3S 0.46608 67 3PX 0.00000 0.11495 68 3PY 0.00000 0.00000 0.06208 69 3PZ 0.00000 0.00000 0.00000 0.10581 70 4XX -0.00366 0.00000 0.00000 0.00000 0.00068 71 4YY -0.00280 0.00000 0.00000 0.00000 -0.00004 72 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00014 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 0.00113 0.00035 -0.00108 0.00024 -0.00001 77 2S -0.00317 0.00128 0.00732 0.00296 0.00014 78 2PX 0.01366 -0.00115 0.00670 0.01049 -0.00024 79 2PY 0.01452 0.00654 0.00178 0.01010 0.00012 80 2PZ 0.01730 0.01085 0.01040 -0.00073 0.00012 81 3S -0.00860 0.00232 0.00501 0.00612 0.00030 82 3PX -0.00054 0.00276 0.00051 0.00292 -0.00029 83 3PY -0.00371 0.00017 0.00063 0.00181 -0.00027 84 3PZ -0.00732 0.00236 0.00281 0.00150 0.00048 85 4XX 0.00035 -0.00060 -0.00020 0.00099 0.00000 86 4YY -0.00105 -0.00025 -0.00026 -0.00029 -0.00002 87 4ZZ 0.00290 0.00159 0.00007 -0.00044 0.00001 88 4XY 0.00108 -0.00003 -0.00001 0.00049 -0.00001 89 4XZ 0.00032 0.00004 0.00009 0.00000 0.00000 90 4YZ 0.00148 0.00047 0.00000 -0.00001 -0.00005 91 7 H 1S 0.00008 0.00009 0.00003 0.00010 0.00000 92 2S 0.00231 0.00172 0.00023 0.00147 -0.00001 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 -0.00358 -0.00029 -0.00303 -0.00051 0.00000 96 2S -0.00543 -0.00154 -0.00623 -0.00201 0.00012 97 10 H 1S 0.04278 0.01618 0.00929 0.01971 0.00021 98 2S 0.00483 0.01601 0.00680 0.01825 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 0.00144 -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 -0.00128 0.00166 -0.00272 0.00000 118 2PZ -0.00400 -0.00075 0.00162 -0.00008 0.00000 119 3S 0.00072 0.00173 -0.00223 0.00285 0.00000 120 3PX -0.00767 0.00022 0.00101 -0.00176 -0.00001 121 3PY -0.01264 -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 0.00003 -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 -0.00001 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 -0.00003 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 0.00000 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 -0.00132 -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 71 72 73 74 75 71 4YY 0.00077 72 4ZZ -0.00007 0.00072 73 4XY 0.00000 0.00000 0.00111 74 4XZ 0.00000 0.00000 0.00000 0.00067 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00126 76 6 C 1S 0.00000 -0.00003 -0.00004 -0.00005 -0.00006 77 2S -0.00021 0.00057 0.00062 0.00076 0.00093 78 2PX -0.00008 0.00039 0.00011 0.00000 0.00095 79 2PY -0.00032 0.00045 0.00004 0.00088 0.00004 80 2PZ -0.00011 -0.00040 0.00094 0.00023 0.00048 81 3S -0.00055 0.00077 0.00035 0.00024 0.00044 82 3PX -0.00015 0.00059 0.00002 0.00000 0.00011 83 3PY 0.00012 0.00003 -0.00007 0.00003 -0.00010 84 3PZ 0.00021 -0.00044 0.00016 0.00000 0.00000 85 4XX -0.00003 0.00001 -0.00001 0.00000 -0.00009 86 4YY 0.00002 -0.00005 0.00000 -0.00007 0.00000 87 4ZZ -0.00006 0.00000 -0.00009 0.00002 -0.00001 88 4XY -0.00001 -0.00004 0.00002 0.00001 -0.00002 89 4XZ -0.00003 0.00001 0.00001 0.00003 -0.00002 90 4YZ -0.00001 -0.00001 -0.00001 0.00001 0.00003 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 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00002 0.00000 0.00005 0.00000 0.00005 96 2S -0.00012 0.00014 0.00019 0.00000 0.00022 97 10 H 1S -0.00060 0.00043 0.00166 0.00174 0.00206 98 2S -0.00096 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 76 77 78 79 80 76 6 C 1S 2.05392 77 2S -0.01557 0.35893 78 2PX 0.00000 0.00000 0.35087 79 2PY 0.00000 0.00000 0.00000 0.42510 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.35653 81 3S -0.02739 0.20451 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.05640 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 -0.00515 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.05810 85 4XX -0.00093 -0.00981 0.00000 0.00000 0.00000 86 4YY -0.00120 -0.00270 0.00000 0.00000 0.00000 87 4ZZ -0.00093 -0.00970 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 -0.00016 -0.00033 -0.00002 -0.00031 92 2S 0.00025 -0.00378 -0.00439 0.00010 -0.00468 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 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00009 0.00008 0.00015 0.00013 97 10 H 1S 0.00000 -0.00015 -0.00028 -0.00002 -0.00036 98 2S 0.00025 -0.00361 -0.00429 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 0.02845 0.00027 116 2PX -0.00003 0.00074 0.01506 0.00409 -0.00047 117 2PY -0.00177 0.04211 0.00403 0.09889 0.00215 118 2PZ -0.00002 0.00037 -0.00048 0.00208 0.01544 119 3S -0.00099 -0.01111 -0.00016 0.00932 -0.00011 120 3PX -0.00015 0.00107 0.02910 0.00355 -0.00053 121 3PY -0.00836 0.06337 0.00338 0.05265 0.00189 122 3PZ -0.00007 0.00056 -0.00054 0.00187 0.02852 123 4XX 0.00002 -0.00068 0.00005 -0.00080 -0.00002 124 4YY -0.00079 0.00759 0.00075 0.00903 0.00040 125 4ZZ 0.00001 -0.00070 -0.00002 -0.00090 0.00002 126 4XY -0.00004 0.00024 0.00379 0.00061 -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 0.00001 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 -0.00002 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 -0.00053 -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 81 82 83 84 85 81 3S 0.22046 82 3PX 0.00000 0.05210 83 3PY 0.00000 0.00000 0.03644 84 3PZ 0.00000 0.00000 0.00000 0.05181 85 4XX -0.00462 0.00000 0.00000 0.00000 0.00204 86 4YY -0.00426 0.00000 0.00000 0.00000 -0.00034 87 4ZZ -0.00435 0.00000 0.00000 0.00000 0.00030 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 -0.00246 -0.00089 -0.00043 0.00003 0.00001 92 2S -0.00885 -0.00224 -0.00086 0.00093 0.00009 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 0.00009 0.00004 0.00003 0.00005 0.00000 96 2S 0.00131 0.00038 0.00031 0.00057 0.00000 97 10 H 1S -0.00263 0.00005 -0.00052 -0.00111 0.00002 98 2S -0.01118 0.00051 -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 0.02242 0.00035 -0.00514 0.00029 -0.00137 118 2PZ 0.00017 -0.00013 -0.00005 0.02061 0.00000 119 3S -0.07474 -0.00054 -0.01898 -0.00026 -0.00225 120 3PX 0.00173 0.04686 -0.00053 -0.00020 -0.00017 121 3PY 0.04167 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 0.00003 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 -0.00005 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 0.00001 0.00000 0.00000 0.00000 145 2S 0.00009 0.00014 0.00009 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 -0.00001 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 -0.00001 -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 -0.00028 -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 86 87 88 89 90 86 4YY 0.00224 87 4ZZ -0.00029 0.00197 88 4XY 0.00000 0.00000 0.00342 89 4XZ 0.00000 0.00000 0.00000 0.00061 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00360 91 7 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 92 2S -0.00018 0.00073 -0.00005 0.00015 -0.00004 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00000 0.00001 0.00000 0.00000 97 10 H 1S -0.00001 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 0.00193 -0.00143 0.00071 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 0.00054 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 91 92 93 94 95 91 7 H 1S 0.21431 92 2S 0.10262 0.13785 93 8 H 1S -0.00001 -0.00093 0.21431 94 2S -0.00093 -0.00487 0.10262 0.13785 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.21482 96 2S 0.00000 0.00002 0.00000 -0.00015 0.10331 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 98 2S 0.00000 -0.00015 0.00000 0.00002 -0.00091 99 11 O 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 100 2S 0.00000 0.00000 0.00000 0.00013 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00034 0.00000 102 2PY 0.00000 0.00000 0.00000 -0.00057 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00047 0.00000 104 3S 0.00000 -0.00001 -0.00013 0.00056 -0.00017 105 3PX 0.00000 -0.00002 0.00000 0.00222 -0.00004 106 3PY 0.00000 -0.00002 -0.00022 -0.00271 -0.00020 107 3PZ 0.00000 -0.00001 -0.00025 0.00261 -0.00023 108 4XX 0.00000 0.00000 0.00000 0.00002 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00010 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00004 0.00000 111 4XY 0.00000 0.00000 0.00000 -0.00002 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 115 2S 0.00000 0.00013 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00034 0.00000 0.00000 0.00000 117 2PY 0.00000 -0.00057 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00047 0.00000 0.00000 0.00000 119 3S -0.00013 0.00056 0.00000 -0.00001 0.00000 120 3PX 0.00000 0.00222 0.00000 -0.00002 0.00000 121 3PY -0.00022 -0.00271 0.00000 -0.00002 0.00000 122 3PZ -0.00025 0.00261 0.00000 -0.00001 0.00000 123 4XX 0.00000 0.00002 0.00000 0.00000 0.00000 124 4YY 0.00000 -0.00010 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00004 0.00000 0.00000 0.00000 126 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00001 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 -0.00008 0.00000 -0.00008 0.00000 131 2PX 0.00000 -0.00015 0.00000 -0.00015 0.00000 132 2PY 0.00000 -0.00016 0.00000 -0.00016 0.00000 133 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 134 3S -0.00012 -0.00023 -0.00012 -0.00023 0.00000 135 3PX -0.00012 -0.00039 -0.00012 -0.00039 0.00000 136 3PY -0.00015 -0.00057 -0.00015 -0.00057 0.00000 137 3PZ -0.00037 -0.00079 -0.00037 -0.00079 0.00000 138 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 139 4YY 0.00000 -0.00001 0.00000 -0.00001 0.00000 140 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00000 141 4XY 0.00000 -0.00001 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 0.00003 0.00000 0.00003 0.00000 145 2S 0.00020 0.00128 0.00020 0.00128 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00001 0.00004 0.00001 0.00004 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 149 2S 0.00000 0.00001 -0.00002 -0.00031 0.00000 150 2PX 0.00000 0.00004 -0.00001 -0.00018 0.00000 151 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00004 -0.00005 -0.00112 0.00000 153 3S 0.00001 0.00003 -0.00098 -0.00381 0.00000 154 3PX 0.00005 0.00041 -0.00065 -0.00146 0.00000 155 3PY -0.00006 -0.00049 0.00002 0.00002 0.00000 156 3PZ 0.00005 0.00045 0.00013 -0.00024 0.00000 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 -0.00007 -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 0.00001 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 0.00007 0.00000 170 3S 0.00000 0.00008 0.00002 0.00026 0.00000 171 3PX 0.00000 0.00012 -0.00003 -0.00014 0.00000 172 3PY 0.00001 0.00014 0.00001 0.00011 0.00000 173 3PZ 0.00001 0.00022 0.00002 0.00042 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 -0.00005 0.00000 182 20 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 183 2S -0.00002 -0.00031 0.00000 0.00001 0.00000 184 2PX -0.00001 -0.00018 0.00000 0.00004 0.00000 185 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 186 2PZ -0.00005 -0.00112 0.00000 0.00004 0.00000 187 3S -0.00098 -0.00381 0.00001 0.00003 0.00000 188 3PX -0.00065 -0.00146 0.00005 0.00041 0.00000 189 3PY 0.00002 0.00002 -0.00006 -0.00049 0.00000 190 3PZ 0.00013 -0.00024 0.00005 0.00045 0.00000 191 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 192 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 193 4ZZ 0.00000 0.00012 0.00000 0.00000 0.00000 194 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XZ 0.00001 0.00004 0.00000 0.00000 0.00000 196 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00017 0.00000 0.00000 0.00000 198 2S -0.00016 0.00017 0.00000 -0.00007 0.00000 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00003 0.00000 0.00000 0.00000 201 2PX 0.00000 -0.00001 0.00000 0.00001 0.00000 202 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PZ 0.00000 0.00007 0.00000 0.00001 0.00000 204 3S 0.00002 0.00026 0.00000 0.00008 0.00000 205 3PX -0.00003 -0.00014 0.00000 0.00012 0.00000 206 3PY 0.00001 0.00011 0.00001 0.00014 0.00000 207 3PZ 0.00002 0.00042 0.00001 0.00022 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 -0.00005 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.14022 97 10 H 1S -0.00091 0.21482 98 2S -0.00512 0.10331 0.14022 99 11 O 1S -0.00001 0.00000 0.00000 2.07870 100 2S 0.00016 0.00000 0.00000 -0.04263 0.50228 101 2PX 0.00042 0.00000 0.00000 0.00000 0.00000 102 2PY -0.00060 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00034 0.00000 0.00000 0.00000 0.00000 104 3S 0.00044 0.00000 -0.00001 -0.04096 0.45743 105 3PX 0.00240 0.00000 -0.00001 0.00000 0.00000 106 3PY -0.00275 0.00000 -0.00003 0.00000 0.00000 107 3PZ 0.00227 0.00000 -0.00002 0.00000 0.00000 108 4XX 0.00004 0.00000 0.00000 -0.00042 -0.00520 109 4YY -0.00011 0.00000 0.00000 -0.00035 -0.00609 110 4ZZ 0.00005 0.00000 0.00000 -0.00041 -0.00532 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 113 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 114 12 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 115 2S 0.00000 0.00000 0.00016 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00042 0.00000 0.00000 117 2PY 0.00000 0.00000 -0.00060 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00034 0.00000 0.00000 119 3S -0.00001 -0.00017 0.00044 0.00000 0.00000 120 3PX -0.00001 -0.00004 0.00240 0.00000 0.00000 121 3PY -0.00003 -0.00020 -0.00275 0.00000 0.00000 122 3PZ -0.00002 -0.00023 0.00227 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00004 0.00000 0.00000 124 4YY 0.00000 0.00000 -0.00011 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 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 0.00000 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 -0.00006 0.00000 0.00001 0.00000 0.00006 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 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 0.00000 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 0.00000 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 -0.00004 0.00000 0.00001 0.00000 0.00000 171 3PX -0.00004 0.00000 0.00005 0.00000 0.00000 172 3PY -0.00001 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 0.00006 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 0.00001 0.00000 0.00000 188 3PX 0.00001 0.00000 -0.00006 0.00000 0.00000 189 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 3PZ 0.00000 0.00000 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 0.00000 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 0.00000 -0.00004 0.00000 0.00000 205 3PX 0.00005 0.00000 -0.00004 0.00000 0.00000 206 3PY 0.00000 0.00000 -0.00001 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 0.00006 0.00000 0.00000 101 102 103 104 105 101 2PX 0.68665 102 2PY 0.00000 0.60050 103 2PZ 0.00000 0.00000 0.70002 104 3S 0.00000 0.00000 0.00000 0.76574 105 3PX 0.23520 0.00000 0.00000 0.00000 0.32260 106 3PY 0.00000 0.16423 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.24000 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 0.18079 107 3PZ 0.00000 0.32936 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 0.68665 117 2PY 0.00000 0.60050 118 2PZ 0.00000 0.00000 0.70002 119 3S 0.00000 0.00000 0.00000 0.76574 120 3PX 0.23520 0.00000 0.00000 0.00000 0.32260 121 3PY 0.00000 0.16423 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.24000 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 0.18079 122 3PZ 0.00000 0.32936 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 0.23761 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 -0.00182 0.02934 145 2S 0.00000 0.00000 0.00000 -0.00076 0.01040 146 15 H 1S 0.00000 0.00000 0.00000 -0.00160 0.02653 147 2S 0.00000 0.00000 0.00000 -0.00024 0.00612 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 0.01422 152 2PZ 0.00000 0.00000 0.00000 -0.00032 0.00663 153 3S 0.00000 0.00000 0.00000 -0.00002 0.00556 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 0.00468 185 2PY 0.00000 0.00000 0.00000 -0.00075 0.01422 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 0.09978 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 0.00038 0.00000 0.09846 0.03831 0.00029 145 2S 0.00020 0.00000 0.05911 0.01741 0.00041 146 15 H 1S 0.08877 0.00000 0.00660 0.03149 0.05938 147 2S 0.05498 0.00000 0.00384 -0.00237 0.05479 148 16 C 1S -0.00032 -0.00084 -0.00028 0.00021 -0.00035 149 2S 0.00639 0.01742 0.00516 0.00379 0.00504 150 2PX -0.00005 0.01475 0.00481 0.00755 -0.00238 151 2PY 0.01237 0.02243 0.01141 0.02016 0.00697 152 2PZ 0.00625 0.01722 0.00013 0.00526 0.00291 153 3S 0.00723 0.01277 0.00662 -0.01281 0.00328 154 3PX -0.00095 0.00846 0.00175 0.00460 -0.00371 155 3PY 0.00496 0.00220 0.00458 0.00901 0.00218 156 3PZ 0.00258 0.00992 -0.00163 -0.00060 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 0.00062 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 -0.00149 0.00143 -0.00485 -0.00821 -0.00269 171 3PX -0.00003 0.00032 -0.00199 -0.00027 -0.00236 172 3PY 0.00001 -0.00112 0.00051 -0.00251 -0.00069 173 3PZ -0.00153 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 0.00639 0.01742 0.00516 0.00379 0.00504 184 2PX -0.00005 0.01475 0.00481 0.00755 -0.00238 185 2PY 0.01237 0.02243 0.01141 0.02016 0.00697 186 2PZ 0.00625 0.01722 0.00013 0.00526 0.00291 187 3S 0.00723 0.01277 0.00662 -0.01281 0.00328 188 3PX -0.00095 0.00846 0.00175 0.00460 -0.00371 189 3PY 0.00496 0.00220 0.00458 0.00901 0.00218 190 3PZ 0.00258 0.00992 -0.00163 -0.00060 0.00126 191 4XX -0.00017 0.00015 0.00007 -0.00001 -0.00054 192 4YY 0.00090 -0.00091 0.00084 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 0.00005 0.00004 -0.00026 -0.00015 -0.00009 202 2PY -0.00006 0.00000 -0.00008 -0.00200 -0.00095 203 2PZ -0.00032 -0.00027 -0.00051 -0.00349 -0.00278 204 3S -0.00149 0.00143 -0.00485 -0.00821 -0.00269 205 3PX -0.00003 0.00032 -0.00199 -0.00027 -0.00236 206 3PY 0.00001 -0.00112 0.00051 -0.00251 -0.00069 207 3PZ -0.00153 0.00037 -0.00219 -0.00460 -0.00377 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 0.05906 -0.00094 -0.00101 0.00743 145 2S 0.00000 0.05018 -0.00270 -0.00218 0.00652 146 15 H 1S 0.00000 0.00417 0.00642 -0.00090 -0.00086 147 2S 0.00000 0.00389 0.00599 -0.00194 -0.00228 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 0.00386 -0.00008 0.00052 -0.00009 151 2PY 0.00396 0.00610 -0.00017 -0.00063 0.00000 152 2PZ 0.01160 -0.00102 -0.00009 0.00092 -0.00017 153 3S 0.00221 0.00105 -0.00033 0.00207 -0.00110 154 3PX 0.00823 0.00231 -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 -0.00086 -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 -0.00237 -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 0.00144 0.00000 0.00000 -0.00002 182 20 C 1S -0.00069 -0.00018 0.00001 -0.00004 0.00000 183 2S 0.01116 0.00333 -0.00028 0.00096 -0.00012 184 2PX 0.01036 0.00386 -0.00008 0.00052 -0.00009 185 2PY 0.00396 0.00610 -0.00017 -0.00063 0.00000 186 2PZ 0.01160 -0.00102 -0.00009 0.00092 -0.00017 187 3S 0.00221 0.00105 -0.00033 0.00207 -0.00110 188 3PX 0.00823 0.00231 -0.00035 0.00043 0.00006 189 3PY -0.00192 0.00110 0.00020 -0.00035 -0.00041 190 3PZ 0.00799 -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 -0.00382 -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 -0.00757 -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 0.00002 0.00000 0.21453 145 2S 0.00000 0.00000 0.00000 0.10531 0.14145 146 15 H 1S 0.00000 0.00122 0.00000 -0.00045 -0.00663 147 2S 0.00000 0.00026 0.00000 -0.00674 -0.01761 148 16 C 1S -0.00005 -0.00002 -0.00005 0.00000 0.00013 149 2S 0.00083 0.00030 0.00088 -0.00009 -0.00188 150 2PX -0.00006 0.00000 0.00085 -0.00006 -0.00037 151 2PY 0.00087 0.00061 0.00095 -0.00009 -0.00142 152 2PZ 0.00077 -0.00001 -0.00004 -0.00025 -0.00470 153 3S 0.00041 0.00014 0.00041 -0.00232 -0.01085 154 3PX 0.00026 0.00001 0.00028 -0.00028 0.00010 155 3PY 0.00004 0.00010 0.00006 -0.00092 -0.00395 156 3PZ 0.00030 0.00000 0.00011 -0.00162 -0.00613 157 4XX 0.00000 0.00000 -0.00003 0.00000 -0.00013 158 4YY -0.00005 0.00003 -0.00006 -0.00001 -0.00027 159 4ZZ -0.00002 0.00000 0.00000 0.00005 0.00075 160 4XY 0.00001 0.00000 0.00004 0.00000 -0.00002 161 4XZ 0.00001 0.00000 0.00000 0.00001 -0.00001 162 4YZ 0.00003 0.00000 0.00000 0.00002 -0.00001 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 164 2S -0.00008 -0.00001 -0.00005 -0.00014 -0.00085 165 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00001 0.00001 0.00000 0.00018 167 2PX -0.00001 0.00000 0.00003 0.00000 0.00021 168 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 169 2PZ 0.00001 0.00007 0.00004 0.00000 0.00028 170 3S 0.00005 -0.00003 0.00003 0.00013 0.00193 171 3PX 0.00000 0.00000 0.00007 0.00009 0.00140 172 3PY -0.00003 -0.00001 -0.00001 -0.00003 -0.00019 173 3PZ 0.00007 0.00007 -0.00001 0.00015 0.00130 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 0.00000 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 -0.00011 182 20 C 1S -0.00005 -0.00002 -0.00005 0.00000 0.00013 183 2S 0.00083 0.00030 0.00088 -0.00009 -0.00188 184 2PX -0.00006 0.00000 0.00085 -0.00006 -0.00037 185 2PY 0.00087 0.00061 0.00095 -0.00009 -0.00142 186 2PZ 0.00077 -0.00001 -0.00004 -0.00025 -0.00470 187 3S 0.00041 0.00014 0.00041 -0.00232 -0.01085 188 3PX 0.00026 0.00001 0.00028 -0.00028 0.00010 189 3PY 0.00004 0.00010 0.00006 -0.00092 -0.00395 190 3PZ 0.00030 0.00000 0.00011 -0.00162 -0.00613 191 4XX 0.00000 0.00000 -0.00003 0.00000 -0.00013 192 4YY -0.00005 0.00003 -0.00006 -0.00001 -0.00027 193 4ZZ -0.00002 0.00000 0.00000 0.00005 0.00075 194 4XY 0.00001 0.00000 0.00004 0.00000 -0.00002 195 4XZ 0.00001 0.00000 0.00000 0.00001 -0.00001 196 4YZ 0.00003 0.00000 0.00000 0.00002 -0.00001 197 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 198 2S -0.00008 -0.00001 -0.00005 -0.00014 -0.00085 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 0.00001 0.00001 0.00000 0.00018 201 2PX -0.00001 0.00000 0.00003 0.00000 0.00021 202 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 203 2PZ 0.00001 0.00007 0.00004 0.00000 0.00028 204 3S 0.00005 -0.00003 0.00003 0.00013 0.00193 205 3PX 0.00000 0.00000 0.00007 0.00009 0.00140 206 3PY -0.00003 -0.00001 -0.00001 -0.00003 -0.00019 207 3PZ 0.00007 0.00007 -0.00001 0.00015 0.00130 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 0.00000 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 -0.00011 146 147 148 149 150 146 15 H 1S 0.21008 147 2S 0.10344 0.14021 148 16 C 1S 0.00000 0.00020 2.05589 149 2S -0.00019 -0.00342 -0.01386 0.33144 150 2PX 0.00001 -0.00226 0.00000 0.00000 0.31536 151 2PY -0.00015 -0.00215 0.00000 0.00000 0.00000 152 2PZ -0.00006 -0.00050 0.00000 0.00000 0.00000 153 3S -0.00198 -0.00706 -0.03809 0.25289 0.00000 154 3PX -0.00105 -0.00492 0.00000 0.00000 0.10654 155 3PY -0.00048 -0.00188 0.00000 0.00000 0.00000 156 3PZ -0.00037 -0.00062 0.00000 0.00000 0.00000 157 4XX 0.00009 0.00082 -0.00087 -0.00986 0.00000 158 4YY -0.00001 -0.00028 -0.00151 0.00216 0.00000 159 4ZZ 0.00000 -0.00007 -0.00109 -0.00526 0.00000 160 4XY 0.00004 0.00005 0.00000 0.00000 0.00000 161 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00000 162 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 -0.00004 -0.00212 0.03300 0.00215 164 2S -0.00001 0.00013 -0.00144 0.01348 0.00164 165 18 C 1S 0.00000 0.00000 0.00000 -0.00045 -0.00014 166 2S 0.00000 -0.00003 -0.00049 0.00996 0.00196 167 2PX -0.00002 -0.00055 -0.00007 0.00127 0.01250 168 2PY 0.00000 0.00001 -0.00029 0.00500 0.00075 169 2PZ 0.00000 0.00006 -0.00224 0.03372 0.01115 170 3S 0.00003 0.00097 0.00087 0.00320 0.00313 171 3PX -0.00112 -0.00190 0.00024 -0.00119 0.02279 172 3PY 0.00000 -0.00006 -0.00027 0.00193 0.00017 173 3PZ 0.00017 0.00027 -0.00036 0.01395 0.00617 174 4XX 0.00000 0.00001 0.00000 -0.00029 0.00004 175 4YY 0.00000 0.00000 0.00001 -0.00060 -0.00010 176 4ZZ 0.00000 -0.00004 -0.00017 0.00248 0.00053 177 4XY 0.00000 0.00000 -0.00001 0.00005 0.00010 178 4XZ 0.00000 -0.00004 -0.00003 0.00031 0.00100 179 4YZ 0.00000 -0.00001 -0.00007 0.00081 0.00016 180 19 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00004 181 2S -0.00001 -0.00020 0.00020 -0.00279 -0.00069 182 20 C 1S 0.00000 0.00020 0.00000 0.00000 0.00000 183 2S -0.00019 -0.00342 0.00000 -0.00018 0.00000 184 2PX 0.00001 -0.00226 0.00000 0.00000 -0.00034 185 2PY -0.00015 -0.00215 0.00000 -0.00056 0.00000 186 2PZ -0.00006 -0.00050 0.00000 0.00000 0.00000 187 3S -0.00198 -0.00706 0.00019 -0.00250 0.00000 188 3PX -0.00105 -0.00492 0.00000 0.00000 -0.00407 189 3PY -0.00048 -0.00188 0.00030 -0.00302 0.00000 190 3PZ -0.00037 -0.00062 0.00000 0.00000 0.00000 191 4XX 0.00009 0.00082 0.00000 0.00000 0.00000 192 4YY -0.00001 -0.00028 0.00000 0.00010 0.00000 193 4ZZ 0.00000 -0.00007 0.00000 0.00000 0.00000 194 4XY 0.00004 0.00005 0.00000 0.00000 0.00001 195 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00000 196 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 197 21 H 1S 0.00000 -0.00004 0.00000 0.00000 0.00000 198 2S -0.00001 0.00013 0.00000 0.00016 -0.00001 199 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 200 2S 0.00000 -0.00003 0.00000 -0.00022 0.00001 201 2PX -0.00002 -0.00055 0.00000 -0.00002 -0.00001 202 2PY 0.00000 0.00001 0.00000 -0.00045 -0.00005 203 2PZ 0.00000 0.00006 0.00000 -0.00022 0.00002 204 3S 0.00003 0.00097 0.00006 -0.00253 -0.00029 205 3PX -0.00112 -0.00190 0.00000 -0.00003 -0.00068 206 3PY 0.00000 -0.00006 0.00008 -0.00253 -0.00054 207 3PZ 0.00017 0.00027 -0.00004 -0.00036 -0.00024 208 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 209 4YY 0.00000 0.00000 0.00000 0.00004 0.00001 210 4ZZ 0.00000 -0.00004 0.00000 0.00000 0.00000 211 4XY 0.00000 0.00000 0.00000 0.00000 0.00003 212 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 213 4YZ 0.00000 -0.00001 0.00000 0.00006 0.00002 214 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 215 2S -0.00001 -0.00020 -0.00001 0.00018 0.00000 151 152 153 154 155 151 2PY 0.42636 152 2PZ 0.00000 0.40301 153 3S 0.00000 0.00000 0.34778 154 3PX 0.00000 0.00000 0.00000 0.12139 155 3PY 0.07592 0.00000 0.00000 0.00000 0.05358 156 3PZ 0.00000 0.09843 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00734 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 0.09144 0.00577 0.05021 0.00164 0.03905 164 2S 0.05410 0.00259 0.03092 0.00227 0.03247 165 18 C 1S -0.00024 -0.00223 -0.00047 -0.00005 -0.00033 166 2S 0.00324 0.03555 0.01227 0.00023 0.00406 167 2PX 0.00015 0.01316 -0.00217 0.02271 -0.00082 168 2PY -0.00071 0.01579 0.00168 0.00031 0.00370 169 2PZ 0.01047 0.05876 0.03843 0.00528 0.00550 170 3S 0.00552 0.01543 -0.01513 0.00330 0.00321 171 3PX -0.00022 0.00625 -0.00737 0.03830 -0.00112 172 3PY 0.00396 0.01037 -0.00026 -0.00022 0.00560 173 3PZ 0.00425 0.00456 0.01726 0.00581 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 0.00019 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 -0.00874 -0.01422 -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 -0.00302 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 -0.01355 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 0.00267 203 2PZ -0.00039 0.00000 -0.00362 0.00006 -0.00109 204 3S -0.00782 0.00285 -0.00671 -0.00130 -0.01044 205 3PX 0.00004 0.00011 -0.00198 -0.00362 -0.00201 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 0.09381 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 0.00505 -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 0.00789 0.00004 -0.00012 0.00089 0.00011 168 2PY 0.00729 -0.00008 0.00003 0.00105 0.00004 169 2PZ 0.01017 -0.00092 -0.00097 0.00035 0.00019 170 3S -0.00618 0.00008 -0.00245 0.00345 0.00000 171 3PX 0.00660 -0.00014 -0.00020 0.00070 0.00009 172 3PY 0.00815 -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 -0.00966 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 -0.00062 0.00000 -0.00001 0.00001 0.00001 202 2PY -0.00303 -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 0.13512 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 0.00120 0.00021 -0.00001 -0.00025 0.00000 168 2PY 0.00006 0.00058 -0.00026 -0.00411 0.00000 169 2PZ 0.00048 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 0.34555 168 2PY 0.00000 0.00000 0.41953 169 2PZ 0.00000 0.00000 0.00000 0.40631 170 3S 0.20797 0.00000 0.00000 0.00000 0.27303 171 3PX 0.00000 0.12410 0.00000 0.00000 0.00000 172 3PY 0.00000 0.00000 0.07766 0.00000 0.00000 173 3PZ 0.00000 0.00000 0.00000 0.06668 0.00000 174 4XX -0.00993 0.00000 0.00000 0.00000 -0.00657 175 4YY -0.00170 0.00000 0.00000 0.00000 -0.00100 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 0.00894 0.03339 0.05676 0.05004 181 2S 0.01135 0.00564 0.01988 0.03529 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 -0.00109 -0.01044 190 3PZ -0.00216 -0.00062 -0.00303 -0.00035 0.00777 191 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00008 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 0.00000 202 2PY 0.04091 0.00000 0.09974 0.00000 0.02956 203 2PZ 0.00000 0.00000 0.00000 0.00394 0.00000 204 3S 0.01187 0.00000 0.02956 0.00000 -0.01104 205 3PX 0.00000 0.03087 0.00000 0.00000 0.00000 206 3PY 0.02194 0.00000 0.01816 0.00000 0.00560 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 0.14492 172 3PY 0.00000 0.05522 173 3PZ 0.00000 0.00000 0.05198 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 0.00425 0.01354 0.02227 -0.00061 -0.00032 181 2S 0.00410 0.00976 0.01658 -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 0.00022 -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 0.00000 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 0.00799 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 0.00152 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 0.14180 182 20 C 1S -0.00001 2.05589 183 2S 0.00018 -0.01386 0.33144 184 2PX 0.00000 0.00000 0.00000 0.31536 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 0.25289 0.00000 0.00000 188 3PX -0.00006 0.00000 0.00000 0.10654 0.00000 189 3PY 0.00064 0.00000 0.00000 0.00000 0.07592 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 -0.00526 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 0.00215 0.09144 198 2S -0.00010 -0.00144 0.01348 0.00164 0.05410 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 0.01250 0.00015 202 2PY -0.00722 -0.00029 0.00500 0.00075 -0.00071 203 2PZ -0.00163 -0.00224 0.03372 0.01115 0.01046 204 3S -0.01520 0.00087 0.00320 0.00313 0.00552 205 3PX -0.00031 0.00024 -0.00119 0.02279 -0.00022 206 3PY -0.01269 -0.00027 0.00193 0.00017 0.00396 207 3PZ 0.00031 -0.00036 0.01395 0.00617 0.00425 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 0.00019 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 0.40301 187 3S 0.00000 0.34778 188 3PX 0.00000 0.00000 0.12139 189 3PY 0.00000 0.00000 0.00000 0.05358 190 3PZ 0.09843 0.00000 0.00000 0.00000 0.09381 191 4XX 0.00000 -0.00734 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 0.00577 0.05021 0.00164 0.03905 0.00242 198 2S 0.00259 0.03092 0.00226 0.03247 0.00025 199 22 C 1S -0.00223 -0.00047 -0.00005 -0.00033 -0.00156 200 2S 0.03555 0.01227 0.00023 0.00406 0.02069 201 2PX 0.01316 -0.00217 0.02271 -0.00082 0.00789 202 2PY 0.01579 0.00168 0.00031 0.00371 0.00729 203 2PZ 0.05877 0.03843 0.00528 0.00550 0.01017 204 3S 0.01543 -0.01513 0.00330 0.00321 -0.00618 205 3PX 0.00625 -0.00737 0.03830 -0.00112 0.00660 206 3PY 0.01037 -0.00026 -0.00022 0.00560 0.00815 207 3PZ 0.00456 0.01726 0.00581 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 -0.00874 -0.01422 -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 -0.00092 0.00591 -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 0.00120 202 2PY -0.00008 0.00003 0.00104 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 0.00058 -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 -0.00127 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 0.01135 201 202 203 204 205 201 2PX 0.34555 202 2PY 0.00000 0.41953 203 2PZ 0.00000 0.00000 0.40631 204 3S 0.00000 0.00000 0.00000 0.27303 205 3PX 0.12410 0.00000 0.00000 0.00000 0.14492 206 3PY 0.00000 0.07766 0.00000 0.00000 0.00000 207 3PZ 0.00000 0.00000 0.06668 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 0.00894 0.03340 0.05676 0.05004 0.00425 215 2S 0.00564 0.01988 0.03529 0.04215 0.00410 206 207 208 209 210 206 3PY 0.05522 207 3PZ 0.00000 0.05198 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 0.01354 0.02227 -0.00061 -0.00032 0.00152 215 2S 0.00976 0.01658 -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 0.00012 0.00070 0.10561 0.14180 Gross orbital populations: 1 1 1 C 1S 1.99265 2 2S 0.69839 3 2PX 0.62189 4 2PY 0.75043 5 2PZ 0.67904 6 3S 0.61000 7 3PX 0.34937 8 3PY 0.19043 9 3PZ 0.32533 10 4XX -0.01394 11 4YY 0.00199 12 4ZZ -0.00315 13 4XY 0.00813 14 4XZ 0.00515 15 4YZ 0.01023 16 2 C 1S 1.99265 17 2S 0.69839 18 2PX 0.62189 19 2PY 0.75043 20 2PZ 0.67904 21 3S 0.61000 22 3PX 0.34937 23 3PY 0.19043 24 3PZ 0.32533 25 4XX -0.01394 26 4YY 0.00199 27 4ZZ -0.00315 28 4XY 0.00813 29 4XZ 0.00515 30 4YZ 0.01023 31 3 C 1S 1.99236 32 2S 0.72875 33 2PX 0.61526 34 2PY 0.73578 35 2PZ 0.62335 36 3S 0.38550 37 3PX 0.18927 38 3PY 0.02557 39 3PZ 0.19158 40 4XX -0.01461 41 4YY 0.01115 42 4ZZ -0.01501 43 4XY 0.02782 44 4XZ 0.00550 45 4YZ 0.02903 46 4 C 1S 1.99200 47 2S 0.71655 48 2PX 0.62442 49 2PY 0.78442 50 2PZ 0.64986 51 3S 0.56622 52 3PX 0.33327 53 3PY 0.17895 54 3PZ 0.31250 55 4XX -0.01214 56 4YY 0.00405 57 4ZZ -0.00796 58 4XY 0.00933 59 4XZ 0.00495 60 4YZ 0.01073 61 5 C 1S 1.99200 62 2S 0.71655 63 2PX 0.62442 64 2PY 0.78442 65 2PZ 0.64986 66 3S 0.56622 67 3PX 0.33327 68 3PY 0.17895 69 3PZ 0.31250 70 4XX -0.01214 71 4YY 0.00405 72 4ZZ -0.00796 73 4XY 0.00933 74 4XZ 0.00495 75 4YZ 0.01073 76 6 C 1S 1.99236 77 2S 0.72875 78 2PX 0.61526 79 2PY 0.73578 80 2PZ 0.62335 81 3S 0.38550 82 3PX 0.18927 83 3PY 0.02557 84 3PZ 0.19158 85 4XX -0.01461 86 4YY 0.01115 87 4ZZ -0.01501 88 4XY 0.02782 89 4XZ 0.00550 90 4YZ 0.02903 91 7 H 1S 0.52751 92 2S 0.30777 93 8 H 1S 0.52751 94 2S 0.30777 95 9 H 1S 0.52756 96 2S 0.31305 97 10 H 1S 0.52756 98 2S 0.31305 99 11 O 1S 1.99242 100 2S 0.90551 101 2PX 0.96435 102 2PY 0.91600 103 2PZ 0.98051 104 3S 1.06347 105 3PX 0.61538 106 3PY 0.44693 107 3PZ 0.62244 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 0.96435 117 2PY 0.91600 118 2PZ 0.98051 119 3S 1.06347 120 3PX 0.61538 121 3PY 0.44693 122 3PZ 0.62244 123 4XX -0.01269 124 4YY -0.00044 125 4ZZ -0.01312 126 4XY 0.00848 127 4XZ 0.00037 128 4YZ 0.00830 129 13 C 1S 1.99219 130 2S 0.68736 131 2PX 0.70947 132 2PY 0.67630 133 2PZ 0.73161 134 3S 0.59368 135 3PX 0.30498 136 3PY 0.25590 137 3PZ 0.31517 138 4XX 0.00525 139 4YY -0.00779 140 4ZZ 0.01084 141 4XY 0.00793 142 4XZ 0.00477 143 4YZ 0.00798 144 14 H 1S 0.52976 145 2S 0.31096 146 15 H 1S 0.51761 147 2S 0.30193 148 16 C 1S 1.99271 149 2S 0.71001 150 2PX 0.54597 151 2PY 0.74831 152 2PZ 0.71116 153 3S 0.61536 154 3PX 0.33511 155 3PY 0.22953 156 3PZ 0.24789 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 0.30806 165 18 C 1S 1.99201 166 2S 0.71237 167 2PX 0.58844 168 2PY 0.75286 169 2PZ 0.72758 170 3S 0.51855 171 3PX 0.39831 172 3PY 0.20190 173 3PZ 0.19125 174 4XX -0.02110 175 4YY 0.00270 176 4ZZ 0.00506 177 4XY 0.00594 178 4XZ 0.00490 179 4YZ 0.01261 180 19 H 1S 0.52868 181 2S 0.32008 182 20 C 1S 1.99271 183 2S 0.71001 184 2PX 0.54597 185 2PY 0.74831 186 2PZ 0.71116 187 3S 0.61536 188 3PX 0.33511 189 3PY 0.22953 190 3PZ 0.24789 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 0.71237 201 2PX 0.58844 202 2PY 0.75286 203 2PZ 0.72758 204 3S 0.51855 205 3PX 0.39831 206 3PY 0.20190 207 3PZ 0.19125 208 4XX -0.02110 209 4YY 0.00270 210 4ZZ 0.00506 211 4XY 0.00594 212 4XZ 0.00490 213 4YZ 0.01261 214 23 H 1S 0.52868 215 2S 0.32008 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.440538 0.298380 -0.005437 -0.001273 -0.112898 0.353402 2 C 0.298380 5.440535 0.353401 -0.112898 -0.001274 -0.005437 3 C -0.005437 0.353401 4.384215 0.370909 -0.013093 -0.016945 4 C -0.001273 -0.112898 0.370909 5.250492 0.418629 -0.013093 5 C -0.112898 -0.001274 -0.013093 0.418629 5.250492 0.370909 6 C 0.353402 -0.005437 -0.016945 -0.013093 0.370909 4.384214 7 H 0.343348 -0.033389 0.002153 -0.000511 0.006578 -0.027287 8 H -0.033389 0.343348 -0.027287 0.006578 -0.000511 0.002153 9 H -0.000725 0.007115 -0.031799 0.341332 -0.035023 0.003231 10 H 0.007115 -0.000725 0.003231 -0.035023 0.341332 -0.031799 11 O 0.005149 -0.072884 0.521194 -0.067772 0.005855 -0.000098 12 O -0.072884 0.005149 -0.000098 0.005855 -0.067772 0.521194 13 C -0.026552 -0.026552 0.001508 0.000121 0.000121 0.001508 14 H -0.002932 -0.002933 0.000334 -0.000006 -0.000006 0.000334 15 H 0.003419 0.003419 -0.000029 -0.000002 -0.000002 -0.000029 16 C -0.030004 0.104989 -0.003648 -0.001226 -0.001294 -0.000585 17 H 0.001992 -0.014860 -0.001178 0.000093 -0.000030 -0.000005 18 C -0.028236 -0.002853 -0.005183 0.004816 0.000804 -0.001259 19 H -0.000308 -0.000038 0.000956 0.000540 0.000129 -0.000054 20 C 0.104988 -0.030005 -0.000585 -0.001294 -0.001227 -0.003648 21 H -0.014861 0.001992 -0.000005 -0.000030 0.000093 -0.001178 22 C -0.002852 -0.028236 -0.001259 0.000805 0.004816 -0.005183 23 H -0.000038 -0.000308 -0.000054 0.000129 0.000540 0.000956 7 8 9 10 11 12 1 C 0.343348 -0.033389 -0.000725 0.007115 0.005149 -0.072884 2 C -0.033389 0.343348 0.007115 -0.000725 -0.072884 0.005149 3 C 0.002153 -0.027287 -0.031799 0.003231 0.521194 -0.000098 4 C -0.000511 0.006578 0.341332 -0.035023 -0.067772 0.005855 5 C 0.006578 -0.000511 -0.035023 0.341332 0.005855 -0.067772 6 C -0.027287 0.002153 0.003231 -0.031799 -0.000098 0.521194 7 H 0.557402 -0.006739 0.000017 -0.000159 -0.000055 0.002396 8 H -0.006739 0.557402 -0.000159 0.000017 0.002396 -0.000055 9 H 0.000017 -0.000159 0.561666 -0.006952 0.001997 -0.000069 10 H -0.000159 0.000017 -0.006952 0.561665 -0.000069 0.001997 11 O -0.000055 0.002396 0.001997 -0.000069 8.104010 0.000000 12 O 0.002396 -0.000055 -0.000069 0.001997 0.000000 8.104012 13 C -0.003129 -0.003129 0.000000 0.000000 0.000126 0.000126 14 H 0.001509 0.001509 0.000000 0.000000 0.000000 0.000000 15 H 0.000053 0.000053 0.000000 0.000000 -0.000001 -0.000001 16 C 0.000560 -0.008524 -0.000037 0.000009 -0.003073 -0.000009 17 H -0.000070 -0.000165 -0.000002 0.000000 0.002478 0.000000 18 C 0.000592 0.000742 -0.000106 0.000056 -0.001457 0.000091 19 H 0.000005 -0.000049 0.000064 -0.000001 0.000040 0.000000 20 C -0.008524 0.000560 0.000009 -0.000037 -0.000009 -0.003074 21 H -0.000165 -0.000070 0.000000 -0.000002 0.000000 0.002478 22 C 0.000742 0.000592 0.000056 -0.000106 0.000091 -0.001457 23 H -0.000049 0.000005 -0.000001 0.000064 0.000000 0.000040 13 14 15 16 17 18 1 C -0.026552 -0.002932 0.003419 -0.030004 0.001992 -0.028236 2 C -0.026552 -0.002933 0.003419 0.104989 -0.014860 -0.002853 3 C 0.001508 0.000334 -0.000029 -0.003648 -0.001178 -0.005183 4 C 0.000121 -0.000006 -0.000002 -0.001226 0.000093 0.004816 5 C 0.000121 -0.000006 -0.000002 -0.001294 -0.000030 0.000804 6 C 0.001508 0.000334 -0.000029 -0.000585 -0.000005 -0.001259 7 H -0.003129 0.001509 0.000053 0.000560 -0.000070 0.000592 8 H -0.003129 0.001509 0.000053 -0.008524 -0.000165 0.000742 9 H 0.000000 0.000000 0.000000 -0.000037 -0.000002 -0.000106 10 H 0.000000 0.000000 0.000000 0.000009 0.000000 0.000056 11 O 0.000126 0.000000 -0.000001 -0.003073 0.002478 -0.001457 12 O 0.000126 0.000000 -0.000001 -0.000009 0.000000 0.000091 13 C 5.117049 0.368122 0.344235 0.361801 -0.039364 -0.067752 14 H 0.368122 0.566598 -0.031425 -0.034352 -0.001140 0.005414 15 H 0.344235 -0.031425 0.557172 -0.026297 0.000077 -0.002228 16 C 0.361801 -0.034352 -0.026297 5.066763 0.366381 0.518831 17 H -0.039364 -0.001140 0.000077 0.366381 0.552391 -0.039634 18 C -0.067752 0.005414 -0.002228 0.518831 -0.039634 4.903749 19 H 0.006373 -0.000115 -0.000212 -0.049441 -0.003435 0.370581 20 C 0.361802 -0.034352 -0.026297 -0.072732 0.004904 -0.052843 21 H -0.039364 -0.001140 0.000077 0.004904 -0.000131 0.007082 22 C -0.067753 0.005414 -0.002228 -0.052842 0.007082 0.529001 23 H 0.006373 -0.000115 -0.000212 0.006253 -0.000109 -0.046843 19 20 21 22 23 1 C -0.000308 0.104988 -0.014861 -0.002852 -0.000038 2 C -0.000038 -0.030005 0.001992 -0.028236 -0.000308 3 C 0.000956 -0.000585 -0.000005 -0.001259 -0.000054 4 C 0.000540 -0.001294 -0.000030 0.000805 0.000129 5 C 0.000129 -0.001227 0.000093 0.004816 0.000540 6 C -0.000054 -0.003648 -0.001178 -0.005183 0.000956 7 H 0.000005 -0.008524 -0.000165 0.000742 -0.000049 8 H -0.000049 0.000560 -0.000070 0.000592 0.000005 9 H 0.000064 0.000009 0.000000 0.000056 -0.000001 10 H -0.000001 -0.000037 -0.000002 -0.000106 0.000064 11 O 0.000040 -0.000009 0.000000 0.000091 0.000000 12 O 0.000000 -0.003074 0.002478 -0.001457 0.000040 13 C 0.006373 0.361802 -0.039364 -0.067753 0.006373 14 H -0.000115 -0.034352 -0.001140 0.005414 -0.000115 15 H -0.000212 -0.026297 0.000077 -0.002228 -0.000212 16 C -0.049441 -0.072732 0.004904 -0.052842 0.006253 17 H -0.003435 0.004904 -0.000131 0.007082 -0.000109 18 C 0.370581 -0.052843 0.007082 0.529001 -0.046843 19 H 0.567625 0.006253 -0.000109 -0.046843 -0.003208 20 C 0.006253 5.066764 0.366381 0.518832 -0.049442 21 H -0.000109 0.366381 0.552390 -0.039634 -0.003435 22 C -0.046843 0.518832 -0.039634 4.903747 0.370581 23 H -0.003208 -0.049442 -0.003435 0.370581 0.567625 Mulliken charges: 1 1 C -0.225939 2 C -0.225938 3 C 0.468700 4 C -0.167171 5 C -0.167171 6 C 0.468701 7 H 0.164724 8 H 0.164724 9 H 0.159389 10 H 0.159389 11 O -0.497917 12 O -0.497918 13 C -0.295671 14 H 0.159278 15 H 0.180460 16 C -0.146425 17 H 0.164723 18 C -0.093366 19 H 0.151246 20 C -0.146425 21 H 0.164724 22 C -0.093364 23 H 0.151247 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.061215 2 C -0.061214 3 C 0.468700 4 C -0.007782 5 C -0.007782 6 C 0.468701 11 O -0.497917 12 O -0.497918 13 C 0.044067 16 C 0.018298 18 C 0.057881 20 C 0.018299 22 C 0.057882 APT charges: 1 1 C -0.163495 2 C -0.163490 3 C 0.793349 4 C -0.074233 5 C -0.074232 6 C 0.793351 7 H 0.013763 8 H 0.013763 9 H 0.027416 10 H 0.027416 11 O -0.689575 12 O -0.689575 13 C -0.011958 14 H 0.008593 15 H -0.005283 16 C 0.124160 17 H 0.016032 18 C -0.101141 19 H 0.058043 20 C 0.124160 21 H 0.016033 22 C -0.101141 23 H 0.058043 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.149732 2 C -0.149727 3 C 0.793349 4 C -0.046816 5 C -0.046816 6 C 0.793351 11 O -0.689575 12 O -0.689575 13 C -0.008648 16 C 0.140192 18 C -0.043098 20 C 0.140193 22 C -0.043097 Electronic spatial extent (au): = 1884.5987 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -3.0305 Y= 0.0000 Z= 1.0149 Tot= 3.1959 Quadrupole moment (field-independent basis, Debye-Ang): XX= -70.8588 YY= -90.9024 ZZ= -68.8674 XY= 0.0001 XZ= 5.1611 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 6.0174 YY= -14.0262 ZZ= 8.0088 XY= 0.0001 XZ= 5.1611 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 5.1677 YYY= -0.0005 ZZZ= -0.9498 XYY= -31.0558 XXY= 0.0003 XXZ= 1.2947 XZZ= 3.5491 YZZ= 0.0000 YYZ= 10.3251 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1077.9892 YYYY= -1090.7892 ZZZZ= -386.0637 XXXY= 0.0006 XXXZ= 34.4032 YYYX= 0.0006 YYYZ= 0.0002 ZZZX= 7.6173 ZZZY= 0.0001 XXYY= -360.7432 XXZZ= -246.9334 YYZZ= -210.5963 XXYZ= -0.0001 YYXZ= 16.1757 ZZXY= -0.0001 N-N= 7.762867378819D+02 E-N=-2.891328851761D+03 KE= 5.702169977535D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.132686 29.025287 2 O -19.132684 29.027020 3 O -10.274830 15.888067 4 O -10.274819 15.885391 5 O -10.226025 15.889404 6 O -10.226013 15.886173 7 O -10.214672 15.872834 8 O -10.213864 15.886965 9 O -10.213565 15.884226 10 O -10.209365 15.880418 11 O -10.208867 15.891830 12 O -10.207659 15.875955 13 O -10.207120 15.886299 14 O -1.031518 2.599184 15 O -1.029426 2.647076 16 O -0.889677 1.403030 17 O -0.833708 1.611694 18 O -0.769956 1.577952 19 O -0.728819 1.512709 20 O -0.727858 1.554113 21 O -0.685766 1.855268 22 O -0.623252 1.412358 23 O -0.584887 1.486049 24 O -0.579907 1.376925 25 O -0.549244 1.335758 26 O -0.537783 0.982746 27 O -0.492162 1.409408 28 O -0.482318 1.660281 29 O -0.467586 1.060922 30 O -0.467210 1.593697 31 O -0.446774 1.187497 32 O -0.417005 2.128803 33 O -0.407498 1.353672 34 O -0.406957 1.311343 35 O -0.400059 1.633173 36 O -0.395699 1.353826 37 O -0.393202 1.495935 38 O -0.390813 1.748604 39 O -0.378756 1.566619 40 O -0.372115 1.423884 41 O -0.328524 1.280465 42 O -0.286863 1.379692 43 O -0.258061 1.592615 44 O -0.254001 1.804127 45 O -0.251416 1.980432 46 O -0.241143 2.008774 47 V -0.090796 1.805110 48 V -0.037408 1.483855 49 V -0.021622 1.392539 50 V 0.040899 1.917993 51 V 0.068740 1.618413 52 V 0.080164 0.951101 53 V 0.108376 1.001839 54 V 0.120686 0.990394 55 V 0.135534 1.044282 56 V 0.135805 1.294266 57 V 0.150975 1.218454 58 V 0.151360 1.184664 59 V 0.159623 1.496464 60 V 0.173768 1.333280 61 V 0.174876 1.295628 62 V 0.196985 1.530976 63 V 0.198690 1.664813 64 V 0.206718 1.324330 65 V 0.219136 1.582713 66 V 0.252732 1.680445 67 V 0.269475 1.445151 68 V 0.295165 1.713895 69 V 0.318334 1.935739 70 V 0.335721 1.539318 71 V 0.345348 2.189860 72 V 0.361944 2.304300 73 V 0.379294 1.639520 74 V 0.430795 1.700105 75 V 0.448572 2.610007 76 V 0.484252 2.208746 77 V 0.485588 1.819330 78 V 0.503505 1.824260 79 V 0.519246 2.031913 80 V 0.528328 2.069203 81 V 0.544285 1.932926 82 V 0.547859 2.193095 83 V 0.561385 2.008998 84 V 0.566987 2.075031 85 V 0.584462 2.038062 86 V 0.602192 2.223715 87 V 0.617948 2.577737 88 V 0.624377 2.120978 89 V 0.649024 2.522775 90 V 0.656911 2.583014 91 V 0.664585 3.131463 92 V 0.675697 2.673751 93 V 0.692452 2.480181 94 V 0.724763 2.442884 95 V 0.728627 2.462212 96 V 0.745670 2.505153 97 V 0.750020 2.587637 98 V 0.768379 2.422718 99 V 0.792238 2.601135 100 V 0.804182 2.416618 101 V 0.815426 2.547662 102 V 0.821304 2.825082 103 V 0.826042 2.567084 104 V 0.826845 2.690115 105 V 0.839275 2.810817 106 V 0.842470 2.799257 107 V 0.865706 2.481239 108 V 0.873004 2.677260 109 V 0.882906 2.465069 110 V 0.893390 2.565394 111 V 0.915746 2.467206 112 V 0.923460 2.539045 113 V 0.928624 2.452586 114 V 0.949060 2.710452 115 V 0.958531 2.419579 116 V 0.968060 2.616392 117 V 0.992044 2.807890 118 V 1.015221 2.381595 119 V 1.046394 3.018594 120 V 1.057888 2.983835 121 V 1.069808 2.755985 122 V 1.092671 2.428659 123 V 1.124894 3.029815 124 V 1.147136 2.334646 125 V 1.181472 2.455760 126 V 1.209170 2.415007 127 V 1.223885 2.486017 128 V 1.233204 2.544753 129 V 1.274250 2.459924 130 V 1.283297 2.411001 131 V 1.341472 2.768418 132 V 1.357895 2.616542 133 V 1.400694 2.537981 134 V 1.407917 2.628020 135 V 1.417841 2.603383 136 V 1.421226 2.621828 137 V 1.437169 2.689856 138 V 1.453594 2.654189 139 V 1.486327 2.714487 140 V 1.522515 2.877140 141 V 1.539916 2.719025 142 V 1.545160 2.743116 143 V 1.629005 2.869584 144 V 1.640415 2.861978 145 V 1.652418 2.945706 146 V 1.701768 3.250550 147 V 1.771293 2.839885 148 V 1.775275 3.043565 149 V 1.794619 3.108311 150 V 1.832372 2.922222 151 V 1.845105 3.083815 152 V 1.847203 3.289832 153 V 1.859490 3.252028 154 V 1.890062 3.198341 155 V 1.902548 3.164891 156 V 1.910443 3.312274 157 V 1.919812 3.029874 158 V 1.925173 3.385682 159 V 1.942458 3.435197 160 V 1.983066 3.607424 161 V 1.985866 3.369963 162 V 2.024510 3.655176 163 V 2.042209 3.471544 164 V 2.052205 3.533032 165 V 2.082743 3.426872 166 V 2.098585 3.496932 167 V 2.105075 3.475088 168 V 2.114880 3.611828 169 V 2.136632 3.522539 170 V 2.202006 3.776082 171 V 2.204498 3.613989 172 V 2.217570 3.544399 173 V 2.242028 3.550178 174 V 2.277685 3.603607 175 V 2.282240 3.648777 176 V 2.307532 3.794207 177 V 2.320142 3.783193 178 V 2.344101 3.634115 179 V 2.368275 3.753895 180 V 2.403911 3.736082 181 V 2.452216 4.004577 182 V 2.471260 3.860358 183 V 2.507147 4.166220 184 V 2.572421 4.088744 185 V 2.579768 4.024918 186 V 2.597398 3.867443 187 V 2.628700 4.144969 188 V 2.628834 4.574865 189 V 2.634119 4.187867 190 V 2.655789 4.452507 191 V 2.668949 4.212014 192 V 2.680992 4.189326 193 V 2.711678 4.496284 194 V 2.763696 4.538813 195 V 2.832340 4.520263 196 V 2.911431 4.763391 197 V 2.955407 4.473326 198 V 2.969664 4.701176 199 V 2.979063 4.939983 200 V 3.016214 5.041231 201 V 3.182023 4.869536 202 V 3.254002 5.166847 203 V 3.993182 10.222298 204 V 4.031865 10.096382 205 V 4.088903 10.510131 206 V 4.186587 10.275244 207 V 4.256597 10.344810 208 V 4.306650 10.413370 209 V 4.354093 10.443005 210 V 4.365538 10.632067 211 V 4.524756 10.466125 212 V 4.544553 10.816242 213 V 4.638157 10.713853 214 V 4.662114 11.232237 215 V 4.945224 11.803386 Total kinetic energy from orbitals= 5.702169977535D+02 Exact polarizability: 119.753 0.000 136.314 3.580 0.000 96.774 Approx polarizability: 188.511 0.000 294.695 -10.929 0.000 172.800 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 --- -439.7985 -0.0009 -0.0008 -0.0006 3.4899 5.1853 Low frequencies --- 8.6023 83.5669 101.0800 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 27.7534550 13.4206529 18.0040738 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 -- -439.7985 83.5663 101.0793 Red. masses -- 9.7706 4.8337 7.7662 Frc consts -- 1.1135 0.0199 0.0468 IR Inten -- 2.9457 0.6127 11.6666 Atom AN X Y Z X Y Z X Y Z 1 6 0.36 -0.10 -0.26 0.00 0.03 0.00 -0.04 0.00 0.01 2 6 0.36 0.10 -0.26 0.00 0.03 0.00 -0.04 0.00 0.01 3 6 0.05 0.02 -0.02 -0.04 0.05 0.08 0.01 0.03 -0.03 4 6 0.00 0.00 0.02 -0.02 0.08 0.04 -0.25 0.00 0.20 5 6 0.00 0.00 0.02 0.02 0.08 -0.04 -0.25 0.00 0.20 6 6 0.05 -0.02 -0.02 0.04 0.05 -0.08 0.01 -0.03 -0.03 7 1 -0.10 0.05 0.03 -0.06 0.02 0.02 -0.03 -0.01 0.00 8 1 -0.10 -0.05 0.03 0.06 0.02 -0.02 -0.03 0.01 0.00 9 1 -0.04 -0.01 0.06 -0.04 0.10 0.07 -0.37 0.00 0.31 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 0.18 0.00 0.05 0.00 0.27 0.00 -0.04 0.00 0.06 15 1 -0.08 0.00 -0.21 0.00 0.08 0.00 -0.02 0.00 0.07 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 -0.33 -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 -- 126.9659 132.7616 185.4199 Red. masses -- 4.5339 5.3490 6.5376 Frc consts -- 0.0431 0.0555 0.1324 IR Inten -- 0.8166 0.2022 5.4267 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 -0.09 0.01 -0.04 0.00 0.14 -0.11 0.13 0.12 2 6 0.03 -0.09 -0.01 -0.04 0.00 0.14 0.11 0.13 -0.12 3 6 0.06 -0.03 0.00 0.08 0.01 0.02 -0.05 0.09 -0.06 4 6 0.02 0.02 0.00 0.21 0.00 -0.08 -0.02 0.05 -0.04 5 6 -0.02 0.02 0.00 0.21 0.00 -0.08 0.02 0.05 0.04 6 6 -0.06 -0.03 0.00 0.08 -0.01 0.02 0.05 0.09 0.06 7 1 -0.01 -0.11 -0.02 -0.05 -0.01 0.14 -0.02 0.17 0.10 8 1 0.01 -0.11 0.02 -0.05 0.01 0.14 0.02 0.17 -0.10 9 1 0.04 0.05 0.01 0.31 0.00 -0.18 -0.04 0.00 -0.06 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 0.13 0.00 0.05 0.00 -0.05 0.00 -0.38 0.00 15 1 0.00 0.40 0.00 -0.09 0.00 -0.16 0.00 0.10 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 -- 273.0467 284.5224 403.1474 Red. masses -- 4.3692 3.6739 7.0987 Frc consts -- 0.1919 0.1752 0.6798 IR Inten -- 0.4764 1.8325 16.3352 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 -0.01 0.00 -0.05 0.00 0.06 0.04 -0.04 0.17 2 6 0.03 -0.01 0.00 -0.05 0.00 0.06 0.04 0.04 0.17 3 6 0.13 -0.01 -0.08 0.00 0.02 0.05 -0.01 0.05 0.11 4 6 0.25 0.01 -0.21 0.05 0.00 0.03 0.12 -0.02 0.16 5 6 -0.25 0.01 0.21 0.05 0.00 0.03 0.12 0.02 0.16 6 6 -0.13 -0.01 0.08 0.00 -0.02 0.05 -0.01 -0.05 0.11 7 1 -0.01 -0.01 -0.01 0.00 0.00 0.03 0.06 0.01 0.20 8 1 0.01 -0.01 0.01 0.00 0.00 0.03 0.06 -0.01 0.20 9 1 0.45 0.03 -0.38 0.10 -0.01 -0.03 0.18 -0.02 0.10 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 0.06 0.00 -0.41 0.00 0.03 0.33 0.00 -0.09 15 1 0.00 0.03 0.00 -0.20 0.00 0.22 0.03 0.00 -0.36 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 0.22 0.01 -0.10 10 11 12 A A A Frequencies -- 436.0792 455.7280 472.8266 Red. masses -- 5.2222 9.5946 2.3253 Frc consts -- 0.5851 1.1741 0.3063 IR Inten -- 2.5261 1.3763 7.4680 Atom AN X Y Z X Y Z X Y Z 1 6 -0.22 0.05 0.24 -0.12 -0.04 -0.18 0.08 -0.01 -0.05 2 6 0.22 0.05 -0.24 -0.12 0.04 -0.18 0.08 0.01 -0.05 3 6 0.05 -0.05 -0.09 -0.07 0.34 0.00 0.06 0.03 -0.01 4 6 -0.09 -0.07 0.03 0.08 0.04 0.04 0.05 0.00 0.06 5 6 0.09 -0.07 -0.03 0.08 -0.04 0.04 0.05 0.00 0.06 6 6 -0.05 -0.05 0.09 -0.07 -0.34 0.00 0.06 -0.03 -0.01 7 1 -0.19 0.19 0.32 -0.04 0.18 -0.07 0.15 0.01 -0.07 8 1 0.19 0.19 -0.32 -0.04 -0.18 -0.07 0.15 -0.01 -0.07 9 1 -0.18 -0.13 0.06 0.11 -0.19 -0.20 -0.02 -0.02 0.12 10 1 0.18 -0.13 -0.06 0.11 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 0.07 0.00 0.18 0.00 -0.02 -0.58 0.00 0.11 15 1 0.00 0.05 0.00 0.07 0.00 -0.11 -0.02 0.00 0.60 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 -- 477.8560 569.7954 585.8125 Red. masses -- 5.1127 3.0216 2.2526 Frc consts -- 0.6879 0.5780 0.4555 IR Inten -- 0.5519 1.1605 0.3696 Atom AN X Y Z X Y Z X Y Z 1 6 -0.22 0.06 -0.08 -0.04 0.06 0.02 -0.05 0.00 0.04 2 6 0.22 0.06 0.08 0.04 0.06 -0.02 -0.05 0.00 0.04 3 6 0.15 -0.02 0.16 0.04 0.00 -0.01 0.16 0.04 -0.14 4 6 0.11 -0.05 0.18 0.00 -0.05 0.02 0.03 0.00 0.01 5 6 -0.11 -0.05 -0.18 0.00 -0.05 -0.02 0.03 0.00 0.01 6 6 -0.15 -0.02 -0.16 -0.04 0.00 0.01 0.16 -0.04 -0.14 7 1 -0.32 -0.12 -0.15 -0.09 0.11 0.07 -0.19 0.02 0.11 8 1 0.32 -0.12 0.15 0.09 0.11 -0.07 -0.19 -0.02 0.11 9 1 0.19 0.19 0.32 -0.01 -0.06 0.02 -0.45 -0.03 0.42 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 0.01 0.00 0.00 0.10 0.00 0.08 0.00 -0.02 15 1 0.00 0.05 0.00 0.00 -0.27 0.00 -0.04 0.00 -0.12 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 -- 630.0224 761.8222 776.1390 Red. masses -- 5.8629 3.7694 3.6844 Frc consts -- 1.3711 1.2889 1.3077 IR Inten -- 0.6644 5.9525 0.2081 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 -0.24 0.14 0.10 -0.06 0.16 0.07 0.18 -0.06 2 6 0.05 -0.24 -0.14 0.10 0.06 0.16 -0.07 0.18 0.06 3 6 0.03 -0.04 -0.07 -0.01 0.05 0.01 0.04 -0.12 -0.05 4 6 -0.07 0.29 0.01 -0.11 0.02 -0.14 -0.01 0.13 0.04 5 6 0.07 0.29 -0.01 -0.11 -0.02 -0.14 0.01 0.13 -0.04 6 6 -0.03 -0.04 0.07 -0.01 -0.05 0.01 -0.04 -0.12 0.05 7 1 -0.11 -0.21 0.18 -0.20 -0.08 0.28 0.31 0.33 -0.06 8 1 0.11 -0.21 -0.18 -0.20 0.08 0.28 -0.31 0.34 0.06 9 1 -0.09 0.38 0.11 -0.16 0.07 -0.06 0.01 0.30 0.16 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 0.10 0.00 -0.22 0.00 0.10 0.00 -0.09 0.00 15 1 0.00 -0.14 0.00 0.24 0.00 0.46 0.00 0.12 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 -- 777.4043 792.6484 808.2609 Red. masses -- 1.9715 6.5844 1.5892 Frc consts -- 0.7020 2.4374 0.6117 IR Inten -- 14.3739 0.6098 25.4907 Atom AN X Y Z X Y Z X Y Z 1 6 0.07 -0.02 0.05 0.10 -0.05 -0.11 -0.05 0.00 -0.05 2 6 0.07 0.02 0.05 -0.10 -0.05 0.11 -0.05 0.00 -0.05 3 6 0.00 0.03 0.00 0.32 0.10 -0.26 0.00 -0.03 -0.02 4 6 -0.05 0.01 -0.06 -0.11 -0.07 0.12 0.03 -0.01 0.08 5 6 -0.05 -0.01 -0.06 0.11 -0.07 -0.12 0.03 0.01 0.08 6 6 0.00 -0.03 0.00 -0.32 0.10 0.26 0.00 0.03 -0.02 7 1 0.07 -0.05 0.03 0.12 -0.06 -0.13 -0.38 0.08 0.14 8 1 0.07 0.05 0.03 -0.12 -0.06 0.13 -0.38 -0.08 0.14 9 1 -0.03 0.04 -0.07 -0.26 -0.13 0.21 0.17 -0.04 -0.07 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 0.06 0.00 -0.06 0.00 0.00 0.00 0.01 0.00 0.04 15 1 -0.19 0.00 -0.24 0.00 0.02 0.00 0.05 0.00 0.05 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 0.30 -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 -- 808.5853 849.3939 855.7207 Red. masses -- 2.8388 1.4357 1.5630 Frc consts -- 1.0936 0.6103 0.6743 IR Inten -- 1.5148 7.2085 1.9777 Atom AN X Y Z X Y Z X Y Z 1 6 -0.04 -0.06 0.00 -0.02 0.01 -0.01 0.02 0.02 0.03 2 6 0.04 -0.06 0.00 -0.02 -0.01 -0.01 -0.02 0.02 -0.03 3 6 0.00 0.03 0.00 -0.05 -0.01 0.04 -0.02 -0.01 0.02 4 6 -0.01 -0.02 -0.02 0.06 0.00 -0.04 0.03 0.00 0.01 5 6 0.01 -0.02 0.01 0.06 0.00 -0.04 -0.03 0.00 -0.01 6 6 0.00 0.03 0.00 -0.05 0.01 0.04 0.02 -0.01 -0.02 7 1 0.00 -0.14 -0.06 0.37 -0.07 -0.24 -0.09 0.09 0.12 8 1 0.01 -0.14 0.06 0.37 0.07 -0.24 0.09 0.09 -0.12 9 1 -0.03 -0.08 -0.04 -0.28 -0.01 0.26 0.05 0.04 0.02 10 1 0.03 -0.08 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 -0.13 0.00 0.14 0.00 0.07 0.00 0.08 0.00 15 1 0.00 0.18 0.00 0.00 0.00 -0.06 0.00 -0.13 0.00 16 6 0.03 0.09 0.11 -0.01 -0.07 0.00 0.07 0.01 0.03 17 1 0.40 0.15 -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 0.14 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 -0.21 -0.03 -0.17 0.32 -0.11 -0.05 0.13 0.00 -0.20 25 26 27 A A A Frequencies -- 885.0224 917.3014 931.1910 Red. masses -- 1.6846 1.7413 2.0610 Frc consts -- 0.7774 0.8633 1.0530 IR Inten -- 50.6585 3.7002 3.0085 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.02 0.03 0.01 0.00 -0.01 0.13 -0.03 0.08 2 6 0.00 -0.02 0.03 0.01 0.00 -0.01 -0.13 -0.03 -0.08 3 6 0.09 0.02 -0.08 0.00 0.00 0.01 0.01 0.00 0.00 4 6 -0.08 0.00 0.04 0.00 0.00 -0.01 0.09 -0.03 0.09 5 6 -0.08 0.00 0.04 0.00 0.00 -0.01 -0.09 -0.03 -0.09 6 6 0.09 -0.02 -0.08 0.00 0.00 0.01 -0.01 0.00 0.00 7 1 0.32 -0.09 -0.18 -0.05 0.04 0.04 -0.20 0.22 0.38 8 1 0.32 0.09 -0.18 -0.05 -0.04 0.04 0.20 0.22 -0.38 9 1 0.32 0.02 -0.31 -0.02 0.00 0.01 0.16 0.12 0.15 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 0.14 0.00 0.06 -0.26 0.00 -0.03 0.00 0.07 0.00 15 1 -0.02 0.00 -0.09 0.24 0.00 0.38 0.00 0.28 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 -- 968.8312 980.3937 984.5648 Red. masses -- 1.3749 1.8589 1.6861 Frc consts -- 0.7604 1.0527 0.9630 IR Inten -- 13.2060 6.0752 1.2533 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 -0.02 0.03 -0.03 0.01 -0.04 -0.01 -0.01 0.01 2 6 -0.03 -0.02 -0.03 0.03 0.01 0.04 -0.01 0.01 0.01 3 6 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.01 4 6 0.03 -0.01 0.03 -0.03 0.01 -0.04 0.00 0.00 0.01 5 6 -0.03 -0.01 -0.03 0.03 0.01 0.04 0.00 0.00 0.01 6 6 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 7 1 0.08 0.02 0.03 -0.06 -0.04 -0.06 0.04 -0.05 -0.05 8 1 -0.08 0.02 -0.03 0.06 -0.04 0.06 0.04 0.05 -0.05 9 1 0.05 0.03 0.05 -0.07 -0.05 -0.06 0.01 -0.01 -0.01 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 0.00 0.00 0.00 0.67 0.00 0.44 0.00 0.22 15 1 0.00 0.14 0.00 0.00 0.41 0.00 -0.08 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 -0.04 -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 -0.02 0.20 -0.16 -0.20 0.15 -0.03 31 32 33 A A A Frequencies -- 1005.1700 1017.9270 1029.6369 Red. masses -- 1.4828 1.2997 1.2827 Frc consts -- 0.8827 0.7935 0.8012 IR Inten -- 14.0677 1.0572 0.9193 Atom AN X Y Z X Y Z X Y Z 1 6 0.04 0.02 -0.02 -0.02 -0.01 0.07 0.00 0.00 -0.01 2 6 0.04 -0.02 -0.02 0.02 -0.01 -0.07 0.00 0.00 0.01 3 6 0.01 0.00 0.05 -0.02 0.01 -0.01 0.01 0.00 0.00 4 6 -0.01 0.01 -0.03 0.03 -0.02 0.06 -0.09 0.01 0.06 5 6 -0.01 -0.01 -0.03 -0.03 -0.02 -0.06 0.09 0.01 -0.06 6 6 0.01 0.00 0.05 0.02 0.01 0.01 -0.01 0.00 0.00 7 1 -0.21 0.25 0.23 0.58 -0.09 -0.23 -0.11 0.02 0.04 8 1 -0.21 -0.25 0.23 -0.58 -0.09 0.23 0.11 0.02 -0.04 9 1 -0.02 0.09 0.04 0.18 0.06 -0.01 0.49 0.00 -0.48 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 0.33 0.00 0.11 0.00 0.23 0.00 0.00 -0.04 0.00 15 1 -0.17 0.00 -0.31 0.00 -0.12 0.00 0.00 0.03 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 -0.09 -0.01 0.05 0.02 0.00 -0.01 34 35 36 A A A Frequencies -- 1082.3468 1099.0049 1109.1338 Red. masses -- 1.5309 1.1950 1.1894 Frc consts -- 1.0567 0.8504 0.8621 IR Inten -- 22.9886 0.4687 19.1999 Atom AN X Y Z X Y Z X Y Z 1 6 -0.04 0.06 -0.03 0.00 0.00 0.00 -0.03 0.01 -0.01 2 6 -0.04 -0.06 -0.03 0.00 0.00 0.00 -0.03 -0.01 -0.01 3 6 0.07 0.01 0.06 0.00 0.00 0.00 0.02 0.00 0.01 4 6 -0.04 0.03 -0.04 0.00 0.00 0.00 -0.01 0.01 -0.01 5 6 -0.04 -0.03 -0.04 0.00 0.00 0.00 -0.01 -0.01 -0.01 6 6 0.07 -0.01 0.06 0.00 0.00 0.00 0.02 0.00 0.01 7 1 0.17 0.44 0.11 0.06 -0.01 -0.03 0.10 0.05 -0.03 8 1 0.17 -0.44 0.11 -0.06 -0.01 0.03 0.10 -0.05 -0.03 9 1 0.11 0.35 0.10 0.01 0.00 0.01 0.05 0.15 0.05 10 1 0.11 -0.35 0.10 -0.01 0.00 -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 -0.10 0.00 -0.04 0.00 0.00 0.00 0.05 0.00 0.04 15 1 0.05 0.00 0.09 0.00 -0.37 0.00 0.01 0.00 0.01 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 -0.24 0.15 0.08 0.49 0.11 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 -- 1129.6448 1145.7206 1165.0066 Red. masses -- 2.3269 1.1513 1.1242 Frc consts -- 1.7495 0.8904 0.8990 IR Inten -- 4.0042 1.6972 13.9201 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.00 0.00 -0.02 0.00 0.02 -0.01 -0.05 -0.02 2 6 -0.02 0.00 0.00 0.02 0.00 -0.02 -0.01 0.05 -0.02 3 6 0.01 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.01 4 6 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.00 5 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 6 6 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 7 1 0.09 0.04 -0.03 0.13 -0.04 -0.07 -0.18 -0.36 -0.14 8 1 0.09 -0.04 -0.03 -0.13 -0.04 0.07 -0.18 0.36 -0.14 9 1 0.04 0.10 0.04 -0.01 -0.01 -0.01 0.18 0.47 0.21 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 0.06 0.00 -0.47 0.00 0.00 0.00 -0.01 15 1 0.07 0.00 0.10 0.00 0.78 0.00 -0.02 0.00 -0.04 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 -- 1246.1237 1297.9136 1322.9618 Red. masses -- 1.9885 1.6910 1.5897 Frc consts -- 1.8193 1.6784 1.6393 IR Inten -- 0.0076 3.0851 1.5197 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 0.00 0.00 2 6 -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.12 0.00 0.15 0.00 0.00 0.01 0.00 0.00 0.00 4 6 -0.03 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.03 0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.00 6 6 -0.12 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 0.00 7 1 0.29 0.37 0.17 0.02 0.03 0.01 0.00 -0.03 -0.02 8 1 -0.29 0.37 -0.17 -0.02 0.03 -0.01 0.00 -0.03 0.02 9 1 -0.18 -0.35 -0.21 -0.01 -0.02 -0.01 0.00 0.00 0.00 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 0.07 0.00 0.00 -0.82 0.00 0.00 0.04 0.00 15 1 0.00 -0.05 0.00 0.00 -0.37 0.00 0.00 -0.03 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 -- 1323.1244 1391.4273 1392.5055 Red. masses -- 2.8087 1.5610 3.2578 Frc consts -- 2.8970 1.7806 3.7219 IR Inten -- 159.2362 0.9480 22.6359 Atom AN X Y Z X Y Z X Y Z 1 6 -0.06 -0.02 -0.06 -0.07 -0.07 -0.07 -0.05 -0.10 0.00 2 6 -0.06 0.02 -0.06 0.07 -0.07 0.07 -0.05 0.10 0.00 3 6 0.17 0.01 0.19 -0.01 -0.01 -0.01 0.01 0.00 0.00 4 6 -0.05 -0.01 -0.06 -0.04 -0.05 -0.06 0.00 -0.01 0.00 5 6 -0.05 0.01 -0.06 0.04 -0.05 0.06 0.00 0.01 0.00 6 6 0.17 -0.01 0.19 0.01 -0.01 0.01 0.01 0.00 0.00 7 1 -0.21 -0.34 -0.20 0.17 0.47 0.15 0.24 0.16 0.05 8 1 -0.21 0.34 -0.20 -0.17 0.47 -0.15 0.24 -0.16 0.05 9 1 -0.19 -0.36 -0.23 0.14 0.40 0.16 0.00 -0.02 -0.01 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 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.07 0.00 -0.11 15 1 0.00 0.00 -0.01 0.00 0.03 0.00 -0.02 0.00 0.07 16 6 0.00 0.00 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 -0.12 -0.12 19 1 0.00 0.01 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 -0.01 0.01 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 0.01 0.00 0.01 -0.01 0.00 -0.11 0.03 46 47 48 A A A Frequencies -- 1409.7078 1464.4832 1497.1434 Red. masses -- 2.3983 3.1470 1.5027 Frc consts -- 2.8081 3.9766 1.9845 IR Inten -- 0.7328 13.2142 4.6913 Atom AN X Y Z X Y Z X Y Z 1 6 0.08 0.06 0.10 0.05 0.24 0.01 0.01 0.09 0.01 2 6 -0.08 0.06 -0.10 0.05 -0.24 0.01 0.01 -0.09 0.01 3 6 0.09 0.00 0.09 -0.02 -0.01 -0.01 0.00 -0.01 0.00 4 6 -0.10 -0.07 -0.11 0.01 0.03 0.00 0.00 0.01 0.00 5 6 0.10 -0.07 0.11 0.01 -0.03 0.00 0.00 -0.01 0.00 6 6 -0.09 0.00 -0.09 -0.02 0.01 -0.01 0.00 0.01 0.00 7 1 -0.06 -0.37 -0.10 -0.20 -0.19 -0.16 -0.08 -0.08 -0.07 8 1 0.06 -0.37 0.10 -0.20 0.19 -0.16 -0.08 0.08 -0.07 9 1 0.12 0.50 0.16 0.00 0.02 0.00 0.00 0.00 0.00 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 -0.01 0.00 -0.20 0.00 -0.05 0.66 0.00 0.01 15 1 0.00 -0.05 0.00 -0.06 0.00 -0.14 0.15 0.00 0.64 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 -- 1509.0748 1509.5955 1670.3117 Red. masses -- 3.2082 2.0360 7.8221 Frc consts -- 4.3046 2.7337 12.8579 IR Inten -- 15.2190 0.7043 22.8158 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.00 0.00 -0.01 -0.10 -0.01 0.00 -0.03 0.00 2 6 0.01 0.00 0.00 -0.01 0.10 -0.01 0.00 0.03 0.00 3 6 0.00 0.00 0.00 0.00 0.01 0.00 -0.02 0.09 0.00 4 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.03 0.53 0.05 5 6 0.00 0.00 0.00 0.00 0.01 0.00 0.03 -0.53 0.05 6 6 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.09 0.00 7 1 0.04 0.00 -0.02 0.04 0.06 0.07 0.03 0.02 0.02 8 1 -0.04 0.00 0.02 0.04 -0.06 0.07 0.03 -0.02 0.02 9 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.12 -0.33 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 -0.31 0.00 0.60 0.00 0.00 0.00 0.00 0.00 15 1 0.00 -0.08 0.00 0.10 0.00 0.52 -0.01 0.00 -0.01 16 6 -0.06 -0.04 -0.18 0.00 -0.05 0.01 0.00 0.00 0.00 17 1 0.09 -0.17 0.16 -0.06 0.00 -0.19 -0.01 0.00 0.00 18 6 0.06 0.09 0.22 0.01 0.17 0.03 0.00 0.00 0.00 19 1 -0.03 -0.50 -0.17 -0.05 -0.17 -0.22 0.00 0.00 0.00 20 6 0.06 -0.04 0.18 0.00 0.05 0.01 0.00 0.00 0.00 21 1 -0.09 -0.17 -0.16 -0.06 0.00 -0.19 -0.01 0.00 0.00 22 6 -0.06 0.09 -0.22 0.01 -0.17 0.03 0.00 0.00 0.00 23 1 0.03 -0.50 0.17 -0.05 0.17 -0.22 0.00 0.00 0.00 52 53 54 A A A Frequencies -- 1748.6250 1750.6729 3018.9315 Red. masses -- 10.7582 9.9710 1.0716 Frc consts -- 19.3814 18.0052 5.7545 IR Inten -- 397.1846 82.1305 16.0065 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 -0.06 -0.01 0.02 0.08 0.01 0.00 0.00 0.00 2 6 0.01 -0.06 0.01 0.02 -0.08 0.01 0.00 0.00 0.00 3 6 -0.07 0.52 0.04 -0.07 0.49 0.04 0.00 0.00 0.00 4 6 0.00 -0.05 0.00 -0.01 -0.16 -0.02 0.00 0.00 0.00 5 6 0.00 -0.05 0.00 -0.01 0.16 -0.02 0.00 0.00 0.00 6 6 0.07 0.52 -0.04 -0.07 -0.49 0.04 0.00 0.00 0.00 7 1 0.09 0.18 0.08 -0.10 -0.18 -0.07 0.00 0.00 0.00 8 1 -0.09 0.18 -0.08 -0.11 0.18 -0.07 0.00 0.00 0.00 9 1 0.08 0.18 0.10 0.11 0.19 0.16 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 -0.01 0.00 0.02 0.00 0.00 -0.03 0.00 0.16 15 1 0.00 0.02 0.00 0.00 0.00 0.02 0.95 0.00 -0.26 16 6 0.01 0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 17 1 -0.03 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 -- 3140.6544 3189.0838 3189.9364 Red. masses -- 1.0910 1.0875 1.0869 Frc consts -- 6.3404 6.5168 6.5161 IR Inten -- 14.1150 3.7547 2.1733 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.02 0.03 -0.05 0.00 -0.01 0.01 2 6 0.00 0.00 0.00 0.02 0.03 0.05 0.00 -0.01 -0.01 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 -0.01 0.01 -0.01 -0.03 0.03 -0.04 5 6 0.00 0.00 0.00 0.01 0.01 0.01 0.03 0.03 0.04 6 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 -0.01 0.02 -0.03 0.24 -0.34 0.55 -0.04 0.06 -0.10 8 1 -0.01 -0.02 -0.03 -0.24 -0.34 -0.55 0.04 0.06 0.10 9 1 0.00 0.00 0.00 0.07 -0.07 0.08 0.40 -0.37 0.43 10 1 0.00 0.00 0.00 -0.07 -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 -0.06 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 15 1 -0.14 0.00 0.02 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 -- 3202.8723 3208.8222 3220.9552 Red. masses -- 1.0927 1.0979 1.0866 Frc consts -- 6.6044 6.6605 6.6419 IR Inten -- 7.0781 8.2320 0.0194 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.03 -0.05 0.01 -0.01 0.01 0.00 0.00 0.00 2 6 -0.02 -0.03 -0.05 0.01 0.01 0.01 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 -0.01 0.01 -0.01 -0.03 0.04 -0.04 0.00 0.00 0.00 5 6 -0.01 -0.01 -0.01 -0.03 -0.04 -0.04 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 0.23 -0.34 0.54 -0.06 0.08 -0.13 -0.01 0.01 -0.02 8 1 0.23 0.34 0.54 -0.06 -0.08 -0.13 0.01 0.01 0.02 9 1 0.09 -0.09 0.10 0.39 -0.36 0.43 0.00 0.00 0.00 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 0.05 0.00 0.00 -0.01 0.00 0.00 0.00 15 1 0.00 0.00 0.00 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 -0.03 -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 -- 3228.7820 3237.0327 3247.0093 Red. masses -- 1.0915 1.0954 1.1038 Frc consts -- 6.7040 6.7627 6.8564 IR Inten -- 3.7550 6.6465 3.2341 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 0.01 -0.02 0.03 -0.01 0.01 -0.02 0.00 -0.01 0.01 8 1 0.01 0.02 0.03 0.01 0.01 0.02 0.00 0.01 0.01 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.03 15 1 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 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 0.08 0.55 0.14 0.05 0.34 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 -- 1727.280151824.843302710.03277 X 0.99941 0.00000 0.03446 Y 0.00000 1.00000 0.00000 Z -0.03446 0.00000 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 0.04746 0.03196 Rotational constants (GHZ): 1.04485 0.98898 0.66595 1 imaginary frequencies ignored. Zero-point vibrational energy 475618.8 (Joules/Mol) 113.67562 (Kcal/Mol) Warning -- explicit consideration of 14 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 120.23 145.43 182.68 191.01 266.78 (Kelvin) 392.85 409.36 580.04 627.42 655.69 680.29 687.53 819.81 842.85 906.46 1096.09 1116.69 1118.51 1140.44 1162.91 1163.37 1222.09 1231.19 1273.35 1319.79 1339.77 1393.93 1410.57 1416.57 1446.21 1464.57 1481.42 1557.25 1581.22 1595.79 1625.30 1648.43 1676.18 1792.89 1867.41 1903.44 1903.68 2001.95 2003.50 2028.25 2107.06 2154.05 2171.22 2171.97 2403.20 2515.88 2518.82 4343.56 4518.70 4588.37 4589.60 4608.21 4616.77 4634.23 4645.49 4657.36 4671.72 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= 0.145293 Sum of electronic and zero-point Energies= -575.347994 Sum of electronic and thermal Energies= -575.337775 Sum of electronic and thermal Enthalpies= -575.336830 Sum of electronic and thermal Free Energies= -575.383855 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 120.088 40.753 98.971 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 27.076 Vibration 1 0.600 1.960 3.805 Vibration 2 0.604 1.948 3.433 Vibration 3 0.611 1.926 2.992 Vibration 4 0.613 1.921 2.906 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 0.147926D-66 -66.829957 -153.881662 Total V=0 0.312427D+17 16.494749 37.980563 Vib (Bot) 0.156632D-80 -80.805119 -186.060662 Vib (Bot) 1 0.246304D+01 0.391472 0.901397 Vib (Bot) 2 0.202994D+01 0.307483 0.708005 Vib (Bot) 3 0.160688D+01 0.205983 0.474293 Vib (Bot) 4 0.153450D+01 0.185967 0.428205 Vib (Bot) 5 0.108117D+01 0.033893 0.078042 Vib (Bot) 6 0.706693D+00 -0.150769 -0.347159 Vib (Bot) 7 0.674113D+00 -0.171267 -0.394357 Vib (Bot) 8 0.441091D+00 -0.355471 -0.818503 Vib (Bot) 9 0.397656D+00 -0.400493 -0.922169 Vib (Bot) 10 0.374538D+00 -0.426504 -0.982061 Vib (Bot) 11 0.355885D+00 -0.448690 -1.033147 Vib (Bot) 12 0.350637D+00 -0.455143 -1.048005 Vib (Bot) 13 0.270161D+00 -0.568377 -1.308737 Vib (Bot) 14 0.258605D+00 -0.587363 -1.352453 Vib (V=0) 0.330816D+03 2.519587 5.801564 Vib (V=0) 1 0.301328D+01 0.479039 1.103029 Vib (V=0) 2 0.259061D+01 0.413402 0.951893 Vib (V=0) 3 0.218287D+01 0.339028 0.780641 Vib (V=0) 4 0.211391D+01 0.325086 0.748538 Vib (V=0) 5 0.169119D+01 0.228191 0.525430 Vib (V=0) 6 0.136569D+01 0.135351 0.311658 Vib (V=0) 7 0.133930D+01 0.126879 0.292149 Vib (V=0) 8 0.116675D+01 0.066980 0.154226 Vib (V=0) 9 0.113885D+01 0.056467 0.130019 Vib (V=0) 10 0.112472D+01 0.051046 0.117537 Vib (V=0) 11 0.111372D+01 0.046777 0.107707 Vib (V=0) 12 0.111069D+01 0.045594 0.104984 Vib (V=0) 13 0.106832D+01 0.028701 0.066087 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 0.104623D+07 6.019628 13.860705 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000006929 -0.000010214 0.000008643 2 6 0.000005375 0.000010616 0.000008827 3 6 0.000000403 -0.000001178 0.000002276 4 6 0.000002738 0.000002848 0.000002216 5 6 0.000003279 -0.000003062 0.000001449 6 6 -0.000000724 0.000000499 0.000002847 7 1 -0.000001626 0.000000566 0.000000406 8 1 -0.000000763 -0.000000441 0.000000742 9 1 0.000000131 -0.000000436 0.000001156 10 1 0.000000038 0.000000342 0.000001329 11 8 -0.000001117 -0.000000058 0.000001416 12 8 -0.000000984 0.000000828 0.000001507 13 6 0.000002727 0.000000447 0.000000984 14 1 -0.000000984 -0.000000125 -0.000000848 15 1 -0.000000239 0.000000033 -0.000000397 16 6 0.000000458 -0.000006943 -0.000014469 17 1 0.000000267 0.000001006 0.000003658 18 6 -0.000007682 -0.000004162 -0.000005856 19 1 -0.000001146 0.000000111 0.000000334 20 6 -0.000000108 0.000005175 -0.000016157 21 1 0.000000663 -0.000000739 0.000004126 22 6 -0.000006440 0.000005225 -0.000004735 23 1 -0.000001194 -0.000000337 0.000000545 ------------------------------------------------------------------- Cartesian Forces: Max 0.000016157 RMS 0.000004363 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000013453 RMS 0.000003030 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 0.00605 0.00847 Eigenvalues --- 0.01246 0.01268 0.01437 0.01553 0.01665 Eigenvalues --- 0.01986 0.02146 0.02218 0.02538 0.02601 Eigenvalues --- 0.03066 0.03430 0.03573 0.03624 0.03884 Eigenvalues --- 0.04251 0.04284 0.04944 0.05151 0.05420 Eigenvalues --- 0.06068 0.07194 0.07527 0.07939 0.08931 Eigenvalues --- 0.10263 0.10330 0.10979 0.11918 0.13571 Eigenvalues --- 0.15563 0.15939 0.17624 0.20708 0.21717 Eigenvalues --- 0.22922 0.25020 0.25723 0.28518 0.30681 Eigenvalues --- 0.31427 0.31663 0.32534 0.33877 0.34929 Eigenvalues --- 0.35999 0.36055 0.36200 0.36213 0.36761 Eigenvalues --- 0.36765 0.36817 0.37099 0.39334 0.43233 Eigenvalues --- 0.55729 0.81313 0.81377 Eigenvectors required to have negative eigenvalues: R7 R4 D2 D4 D69 1 0.57025 0.57024 -0.14771 0.14771 0.14535 D60 D28 D13 R1 D66 1 -0.14535 0.11654 -0.11654 -0.10920 0.10844 Angle between quadratic step and forces= 69.38 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00012438 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.66467 0.00001 0.00000 -0.00003 -0.00003 2.66464 R2 2.79741 0.00000 0.00000 0.00000 0.00000 2.79741 R3 2.05259 0.00000 0.00000 0.00000 0.00000 2.05259 R4 4.16606 -0.00001 0.00000 0.00022 0.00022 4.16628 R5 2.79741 0.00000 0.00000 -0.00001 -0.00001 2.79741 R6 2.05259 0.00000 0.00000 0.00000 0.00000 2.05259 R7 4.16607 -0.00001 0.00000 0.00021 0.00021 4.16628 R8 2.81286 0.00000 0.00000 0.00000 0.00000 2.81285 R9 2.31923 0.00000 0.00000 0.00000 0.00000 2.31923 R10 2.54159 0.00000 0.00000 0.00000 0.00000 2.54159 R11 2.05479 0.00000 0.00000 0.00000 0.00000 2.05479 R12 2.81286 0.00000 0.00000 -0.00001 -0.00001 2.81285 R13 2.05479 0.00000 0.00000 0.00000 0.00000 2.05479 R14 2.31923 0.00000 0.00000 0.00000 0.00000 2.31923 R15 2.06238 0.00000 0.00000 0.00000 0.00000 2.06239 R16 2.08362 0.00000 0.00000 0.00000 0.00000 2.08362 R17 2.85758 0.00000 0.00000 -0.00002 -0.00002 2.85756 R18 2.85758 0.00000 0.00000 -0.00002 -0.00002 2.85756 R19 2.04975 0.00000 0.00000 0.00000 0.00000 2.04975 R20 2.65629 0.00000 0.00000 -0.00004 -0.00004 2.65625 R21 2.04927 0.00000 0.00000 0.00000 0.00000 2.04928 R22 2.64421 -0.00001 0.00000 0.00001 0.00001 2.64422 R23 2.04975 0.00000 0.00000 0.00000 0.00000 2.04975 R24 2.65628 0.00000 0.00000 -0.00004 -0.00004 2.65625 R25 2.04927 0.00000 0.00000 0.00000 0.00000 2.04928 A1 2.10666 0.00000 0.00000 0.00000 0.00000 2.10666 A2 2.09242 0.00000 0.00000 0.00002 0.00002 2.09244 A3 1.77606 0.00000 0.00000 -0.00001 -0.00001 1.77606 A4 1.99032 0.00000 0.00000 0.00002 0.00002 1.99034 A5 1.73603 0.00000 0.00000 -0.00007 -0.00007 1.73596 A6 1.59929 0.00000 0.00000 -0.00002 -0.00002 1.59927 A7 2.10666 0.00000 0.00000 0.00001 0.00001 2.10666 A8 2.09242 0.00000 0.00000 0.00002 0.00002 2.09244 A9 1.77606 0.00000 0.00000 -0.00001 -0.00001 1.77606 A10 1.99031 0.00000 0.00000 0.00003 0.00003 1.99034 A11 1.73603 0.00000 0.00000 -0.00007 -0.00007 1.73596 A12 1.59930 0.00000 0.00000 -0.00004 -0.00004 1.59927 A13 2.03345 0.00000 0.00000 0.00000 0.00000 2.03344 A14 2.14287 0.00000 0.00000 0.00001 0.00001 2.14287 A15 2.10685 0.00000 0.00000 0.00000 0.00000 2.10684 A16 2.12899 0.00000 0.00000 0.00000 0.00000 2.12899 A17 2.01868 0.00000 0.00000 0.00000 0.00000 2.01868 A18 2.13417 0.00000 0.00000 0.00000 0.00000 2.13417 A19 2.12899 0.00000 0.00000 0.00000 0.00000 2.12899 A20 2.13417 0.00000 0.00000 0.00000 0.00000 2.13417 A21 2.01868 0.00000 0.00000 0.00000 0.00000 2.01868 A22 2.03345 0.00000 0.00000 0.00000 0.00000 2.03344 A23 2.14287 0.00000 0.00000 0.00001 0.00001 2.14287 A24 2.10685 0.00000 0.00000 0.00000 0.00000 2.10684 A25 1.88270 0.00000 0.00000 0.00000 0.00000 1.88270 A26 2.02699 0.00000 0.00000 0.00000 0.00000 2.02699 A27 2.02699 0.00000 0.00000 0.00000 0.00000 2.02699 A28 1.89062 0.00000 0.00000 -0.00001 -0.00001 1.89060 A29 1.89062 0.00000 0.00000 -0.00001 -0.00001 1.89060 A30 1.73714 0.00000 0.00000 0.00002 0.00002 1.73716 A31 1.55569 0.00001 0.00000 0.00003 0.00003 1.55572 A32 1.77786 0.00000 0.00000 0.00003 0.00003 1.77789 A33 1.77578 -0.00001 0.00000 -0.00018 -0.00018 1.77560 A34 2.15969 0.00000 0.00000 0.00004 0.00004 2.15973 A35 1.85838 0.00000 0.00000 0.00004 0.00004 1.85842 A36 2.16626 0.00000 0.00000 -0.00002 -0.00002 2.16624 A37 2.18469 0.00000 0.00000 0.00000 0.00000 2.18470 A38 1.90026 0.00000 0.00000 0.00000 0.00000 1.90026 A39 2.19029 0.00000 0.00000 -0.00001 -0.00001 2.19029 A40 1.55569 0.00001 0.00000 0.00003 0.00003 1.55572 A41 1.77785 0.00000 0.00000 0.00004 0.00004 1.77789 A42 1.77578 -0.00001 0.00000 -0.00018 -0.00018 1.77560 A43 2.15969 0.00000 0.00000 0.00004 0.00004 2.15973 A44 1.85838 0.00000 0.00000 0.00003 0.00003 1.85842 A45 2.16626 0.00000 0.00000 -0.00002 -0.00002 2.16624 A46 1.90025 0.00000 0.00000 0.00000 0.00000 1.90026 A47 2.19029 0.00000 0.00000 -0.00001 -0.00001 2.19029 A48 2.18470 0.00000 0.00000 0.00000 0.00000 2.18470 D1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D2 -2.66304 0.00000 0.00000 -0.00013 -0.00013 -2.66317 D3 1.89551 0.00000 0.00000 -0.00009 -0.00009 1.89542 D4 2.66305 0.00000 0.00000 0.00012 0.00012 2.66317 D5 0.00002 0.00000 0.00000 -0.00002 -0.00002 0.00000 D6 -1.72462 0.00000 0.00000 0.00003 0.00003 -1.72460 D7 -1.89551 0.00000 0.00000 0.00009 0.00009 -1.89542 D8 1.72464 0.00000 0.00000 -0.00004 -0.00004 1.72460 D9 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D10 -0.17607 0.00000 0.00000 -0.00001 -0.00001 -0.17608 D11 2.95819 0.00000 0.00000 -0.00001 -0.00001 2.95818 D12 -2.86524 0.00000 0.00000 -0.00011 -0.00011 -2.86535 D13 0.26902 0.00000 0.00000 -0.00012 -0.00012 0.26890 D14 1.74095 0.00000 0.00000 -0.00006 -0.00006 1.74089 D15 -1.40797 0.00000 0.00000 -0.00006 -0.00006 -1.40804 D16 -0.68136 0.00000 0.00000 0.00002 0.00002 -0.68134 D17 -2.85193 0.00000 0.00000 -0.00003 -0.00003 -2.85196 D18 1.18011 0.00000 0.00000 0.00005 0.00005 1.18017 D19 -2.85071 0.00000 0.00000 0.00005 0.00005 -2.85067 D20 1.26190 0.00000 0.00000 -0.00001 -0.00001 1.26189 D21 -0.98924 0.00000 0.00000 0.00008 0.00008 -0.98916 D22 1.43058 0.00000 0.00000 0.00003 0.00003 1.43061 D23 -0.73999 0.00000 0.00000 -0.00002 -0.00002 -0.74001 D24 -2.99114 0.00000 0.00000 0.00007 0.00007 -2.99107 D25 0.17608 0.00000 0.00000 0.00000 0.00000 0.17608 D26 -2.95818 0.00000 0.00000 0.00000 0.00000 -2.95818 D27 2.86523 0.00000 0.00000 0.00013 0.00013 2.86535 D28 -0.26903 0.00000 0.00000 0.00013 0.00013 -0.26890 D29 -1.74095 0.00000 0.00000 0.00006 0.00006 -1.74089 D30 1.40798 0.00000 0.00000 0.00006 0.00006 1.40804 D31 0.68135 0.00000 0.00000 -0.00002 -0.00002 0.68134 D32 2.85193 0.00000 0.00000 0.00003 0.00003 2.85196 D33 -1.18011 0.00000 0.00000 -0.00006 -0.00006 -1.18017 D34 2.85071 0.00000 0.00000 -0.00004 -0.00004 2.85067 D35 -1.26191 0.00000 0.00000 0.00001 0.00001 -1.26189 D36 0.98924 0.00000 0.00000 -0.00008 -0.00008 0.98916 D37 -1.43059 0.00000 0.00000 -0.00003 -0.00003 -1.43061 D38 0.73999 0.00000 0.00000 0.00003 0.00003 0.74001 D39 2.99114 0.00000 0.00000 -0.00007 -0.00007 2.99107 D40 -0.17851 0.00000 0.00000 0.00000 0.00000 -0.17851 D41 3.01760 0.00000 0.00000 0.00002 0.00002 3.01762 D42 2.95591 0.00000 0.00000 0.00000 0.00000 2.95590 D43 -0.13117 0.00000 0.00000 0.00002 0.00002 -0.13115 D44 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D45 -3.08347 0.00000 0.00000 0.00002 0.00002 -3.08344 D46 3.08347 0.00000 0.00000 -0.00002 -0.00002 3.08344 D47 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D48 0.17851 0.00000 0.00000 0.00000 0.00000 0.17851 D49 -2.95591 0.00000 0.00000 0.00001 0.00001 -2.95590 D50 -3.01760 0.00000 0.00000 -0.00002 -0.00002 -3.01762 D51 0.13117 0.00000 0.00000 -0.00001 -0.00001 0.13115 D52 0.92103 0.00001 0.00000 0.00005 0.00005 0.92108 D53 -0.88922 0.00000 0.00000 -0.00001 -0.00001 -0.88923 D54 2.70117 0.00000 0.00000 -0.00013 -0.00013 2.70105 D55 3.04173 0.00001 0.00000 0.00004 0.00004 3.04178 D56 1.23148 0.00000 0.00000 -0.00002 -0.00002 1.23147 D57 -1.46131 0.00000 0.00000 -0.00013 -0.00013 -1.46144 D58 -1.26847 0.00001 0.00000 0.00003 0.00003 -1.26844 D59 -3.07872 0.00000 0.00000 -0.00003 -0.00003 -3.07874 D60 0.51168 0.00000 0.00000 -0.00014 -0.00014 0.51153 D61 -0.92102 -0.00001 0.00000 -0.00005 -0.00005 -0.92108 D62 0.88921 0.00000 0.00000 0.00002 0.00002 0.88923 D63 -2.70117 0.00000 0.00000 0.00012 0.00012 -2.70105 D64 -3.04173 -0.00001 0.00000 -0.00004 -0.00004 -3.04178 D65 -1.23150 0.00000 0.00000 0.00003 0.00003 -1.23147 D66 1.46131 0.00000 0.00000 0.00013 0.00013 1.46144 D67 1.26847 -0.00001 0.00000 -0.00004 -0.00004 1.26844 D68 3.07870 0.00000 0.00000 0.00004 0.00004 3.07874 D69 -0.51167 0.00000 0.00000 0.00014 0.00014 -0.51153 D70 -1.73696 0.00000 0.00000 0.00011 0.00011 -1.73686 D71 1.27541 0.00001 0.00000 0.00009 0.00009 1.27550 D72 2.93001 0.00000 0.00000 0.00012 0.00012 2.93013 D73 -0.34081 0.00000 0.00000 0.00010 0.00010 -0.34071 D74 0.23935 0.00000 0.00000 -0.00002 -0.00002 0.23933 D75 -3.03147 0.00000 0.00000 -0.00004 -0.00004 -3.03150 D76 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D77 -3.01185 0.00000 0.00000 0.00002 0.00002 -3.01184 D78 3.01186 0.00000 0.00000 -0.00002 -0.00002 3.01184 D79 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D80 -1.27542 0.00000 0.00000 -0.00008 -0.00008 -1.27550 D81 1.73696 0.00000 0.00000 -0.00010 -0.00010 1.73686 D82 0.34080 0.00000 0.00000 -0.00009 -0.00009 0.34071 D83 -2.93001 0.00000 0.00000 -0.00011 -0.00011 -2.93013 D84 3.03147 0.00000 0.00000 0.00003 0.00003 3.03150 D85 -0.23934 0.00000 0.00000 0.00001 0.00001 -0.23933 Item Value Threshold Converged? Maximum Force 0.000013 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.000710 0.001800 YES RMS Displacement 0.000124 0.001200 YES Predicted change in Energy=-5.046097D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4101 -DE/DX = 0.0 ! ! R2 R(1,6) 1.4803 -DE/DX = 0.0 ! ! R3 R(1,7) 1.0862 -DE/DX = 0.0 ! ! R4 R(1,20) 2.2046 -DE/DX = 0.0 ! ! R5 R(2,3) 1.4803 -DE/DX = 0.0 ! ! R6 R(2,8) 1.0862 -DE/DX = 0.0 ! ! R7 R(2,16) 2.2046 -DE/DX = 0.0 ! ! R8 R(3,4) 1.4885 -DE/DX = 0.0 ! ! R9 R(3,11) 1.2273 -DE/DX = 0.0 ! ! R10 R(4,5) 1.3449 -DE/DX = 0.0 ! ! R11 R(4,9) 1.0873 -DE/DX = 0.0 ! ! R12 R(5,6) 1.4885 -DE/DX = 0.0 ! ! R13 R(5,10) 1.0873 -DE/DX = 0.0 ! ! R14 R(6,12) 1.2273 -DE/DX = 0.0 ! ! R15 R(13,14) 1.0914 -DE/DX = 0.0 ! ! R16 R(13,15) 1.1026 -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) 1.4056 -DE/DX = 0.0 ! ! R21 R(18,19) 1.0844 -DE/DX = 0.0 ! ! R22 R(18,22) 1.3993 -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) 120.7028 -DE/DX = 0.0 ! ! A2 A(2,1,7) 119.8868 -DE/DX = 0.0 ! ! A3 A(2,1,20) 101.7609 -DE/DX = 0.0 ! ! A4 A(6,1,7) 114.0368 -DE/DX = 0.0 ! ! A5 A(6,1,20) 99.4672 -DE/DX = 0.0 ! ! A6 A(7,1,20) 91.6326 -DE/DX = 0.0 ! ! A7 A(1,2,3) 120.7026 -DE/DX = 0.0 ! ! A8 A(1,2,8) 119.8867 -DE/DX = 0.0 ! ! A9 A(1,2,16) 101.761 -DE/DX = 0.0 ! ! A10 A(3,2,8) 114.0366 -DE/DX = 0.0 ! ! A11 A(3,2,16) 99.4675 -DE/DX = 0.0 ! ! A12 A(8,2,16) 91.6333 -DE/DX = 0.0 ! ! A13 A(2,3,4) 116.5079 -DE/DX = 0.0 ! ! A14 A(2,3,11) 122.7772 -DE/DX = 0.0 ! ! A15 A(4,3,11) 120.7135 -DE/DX = 0.0 ! ! A16 A(3,4,5) 121.9823 -DE/DX = 0.0 ! ! A17 A(3,4,9) 115.6616 -DE/DX = 0.0 ! ! A18 A(5,4,9) 122.2792 -DE/DX = 0.0 ! ! A19 A(4,5,6) 121.9822 -DE/DX = 0.0 ! ! A20 A(4,5,10) 122.2792 -DE/DX = 0.0 ! ! A21 A(6,5,10) 115.6616 -DE/DX = 0.0 ! ! A22 A(1,6,5) 116.5079 -DE/DX = 0.0 ! ! A23 A(1,6,12) 122.7772 -DE/DX = 0.0 ! ! A24 A(5,6,12) 120.7135 -DE/DX = 0.0 ! ! A25 A(14,13,15) 107.8709 -DE/DX = 0.0 ! ! A26 A(14,13,16) 116.1379 -DE/DX = 0.0 ! ! A27 A(14,13,20) 116.138 -DE/DX = 0.0 ! ! A28 A(15,13,16) 108.3244 -DE/DX = 0.0 ! ! A29 A(15,13,20) 108.3244 -DE/DX = 0.0 ! ! A30 A(16,13,20) 99.5309 -DE/DX = 0.0 ! ! A31 A(2,16,13) 89.1343 -DE/DX = 0.0 ! ! A32 A(2,16,17) 101.864 -DE/DX = 0.0 ! ! A33 A(2,16,18) 101.7447 -DE/DX = 0.0 ! ! A34 A(13,16,17) 123.7412 -DE/DX = 0.0 ! ! A35 A(13,16,18) 106.4774 -DE/DX = 0.0 ! ! A36 A(17,16,18) 124.1175 -DE/DX = 0.0 ! ! A37 A(16,18,19) 125.1738 -DE/DX = 0.0 ! ! A38 A(16,18,22) 108.8766 -DE/DX = 0.0 ! ! A39 A(19,18,22) 125.4945 -DE/DX = 0.0 ! ! A40 A(1,20,13) 89.1344 -DE/DX = 0.0 ! ! A41 A(1,20,21) 101.8631 -DE/DX = 0.0 ! ! A42 A(1,20,22) 101.7446 -DE/DX = 0.0 ! ! A43 A(13,20,21) 123.7412 -DE/DX = 0.0 ! ! A44 A(13,20,22) 106.4776 -DE/DX = 0.0 ! ! A45 A(21,20,22) 124.1177 -DE/DX = 0.0 ! ! A46 A(18,22,20) 108.8766 -DE/DX = 0.0 ! ! A47 A(18,22,23) 125.4945 -DE/DX = 0.0 ! ! A48 A(20,22,23) 125.1739 -DE/DX = 0.0 ! ! D1 D(6,1,2,3) -0.0002 -DE/DX = 0.0 ! ! D2 D(6,1,2,8) -152.581 -DE/DX = 0.0 ! ! D3 D(6,1,2,16) 108.6045 -DE/DX = 0.0 ! ! D4 D(7,1,2,3) 152.5817 -DE/DX = 0.0 ! ! D5 D(7,1,2,8) 0.001 -DE/DX = 0.0 ! ! D6 D(7,1,2,16) -98.8136 -DE/DX = 0.0 ! ! D7 D(20,1,2,3) -108.6047 -DE/DX = 0.0 ! ! D8 D(20,1,2,8) 98.8146 -DE/DX = 0.0 ! ! D9 D(20,1,2,16) 0.0001 -DE/DX = 0.0 ! ! D10 D(2,1,6,5) -10.0882 -DE/DX = 0.0 ! ! D11 D(2,1,6,12) 169.4917 -DE/DX = 0.0 ! ! D12 D(7,1,6,5) -164.1661 -DE/DX = 0.0 ! ! D13 D(7,1,6,12) 15.4138 -DE/DX = 0.0 ! ! D14 D(20,1,6,5) 99.7493 -DE/DX = 0.0 ! ! D15 D(20,1,6,12) -80.6709 -DE/DX = 0.0 ! ! D16 D(2,1,20,13) -39.0388 -DE/DX = 0.0 ! ! D17 D(2,1,20,21) -163.4034 -DE/DX = 0.0 ! ! D18 D(2,1,20,22) 67.6155 -DE/DX = 0.0 ! ! D19 D(6,1,20,13) -163.3337 -DE/DX = 0.0 ! ! D20 D(6,1,20,21) 72.3017 -DE/DX = 0.0 ! ! D21 D(6,1,20,22) -56.6794 -DE/DX = 0.0 ! ! D22 D(7,1,20,13) 81.9662 -DE/DX = 0.0 ! ! D23 D(7,1,20,21) -42.3983 -DE/DX = 0.0 ! ! D24 D(7,1,20,22) -171.3794 -DE/DX = 0.0 ! ! D25 D(1,2,3,4) 10.0885 -DE/DX = 0.0 ! ! D26 D(1,2,3,11) -169.4913 -DE/DX = 0.0 ! ! D27 D(8,2,3,4) 164.1653 -DE/DX = 0.0 ! ! D28 D(8,2,3,11) -15.4146 -DE/DX = 0.0 ! ! D29 D(16,2,3,4) -99.7491 -DE/DX = 0.0 ! ! D30 D(16,2,3,11) 80.671 -DE/DX = 0.0 ! ! D31 D(1,2,16,13) 39.0387 -DE/DX = 0.0 ! ! D32 D(1,2,16,17) 163.4033 -DE/DX = 0.0 ! ! D33 D(1,2,16,18) -67.6154 -DE/DX = 0.0 ! ! D34 D(3,2,16,13) 163.3335 -DE/DX = 0.0 ! ! D35 D(3,2,16,17) -72.3019 -DE/DX = 0.0 ! ! D36 D(3,2,16,18) 56.6794 -DE/DX = 0.0 ! ! D37 D(8,2,16,13) -81.9665 -DE/DX = 0.0 ! ! D38 D(8,2,16,17) 42.3981 -DE/DX = 0.0 ! ! D39 D(8,2,16,18) 171.3794 -DE/DX = 0.0 ! ! D40 D(2,3,4,5) -10.2281 -DE/DX = 0.0 ! ! D41 D(2,3,4,9) 172.8955 -DE/DX = 0.0 ! ! D42 D(11,3,4,5) 169.3611 -DE/DX = 0.0 ! ! D43 D(11,3,4,9) -7.5154 -DE/DX = 0.0 ! ! D44 D(3,4,5,6) 0.0 -DE/DX = 0.0 ! ! D45 D(3,4,5,10) -176.6696 -DE/DX = 0.0 ! ! D46 D(9,4,5,6) 176.6697 -DE/DX = 0.0 ! ! D47 D(9,4,5,10) 0.0 -DE/DX = 0.0 ! ! D48 D(4,5,6,1) 10.2279 -DE/DX = 0.0 ! ! D49 D(4,5,6,12) -169.3612 -DE/DX = 0.0 ! ! D50 D(10,5,6,1) -172.8956 -DE/DX = 0.0 ! ! D51 D(10,5,6,12) 7.5152 -DE/DX = 0.0 ! ! D52 D(14,13,16,2) 52.7709 -DE/DX = 0.0 ! ! D53 D(14,13,16,17) -50.9486 -DE/DX = 0.0 ! ! D54 D(14,13,16,18) 154.7658 -DE/DX = 0.0 ! ! D55 D(15,13,16,2) 174.2784 -DE/DX = 0.0 ! ! D56 D(15,13,16,17) 70.5589 -DE/DX = 0.0 ! ! D57 D(15,13,16,18) -83.7267 -DE/DX = 0.0 ! ! D58 D(20,13,16,2) -72.6779 -DE/DX = 0.0 ! ! D59 D(20,13,16,17) -176.3975 -DE/DX = 0.0 ! ! D60 D(20,13,16,18) 29.3169 -DE/DX = 0.0 ! ! D61 D(14,13,20,1) -52.7708 -DE/DX = 0.0 ! ! D62 D(14,13,20,21) 50.9478 -DE/DX = 0.0 ! ! D63 D(14,13,20,22) -154.7655 -DE/DX = 0.0 ! ! D64 D(15,13,20,1) -174.2783 -DE/DX = 0.0 ! ! D65 D(15,13,20,21) -70.5598 -DE/DX = 0.0 ! ! D66 D(15,13,20,22) 83.7269 -DE/DX = 0.0 ! ! D67 D(16,13,20,1) 72.678 -DE/DX = 0.0 ! ! D68 D(16,13,20,21) 176.3966 -DE/DX = 0.0 ! ! D69 D(16,13,20,22) -29.3167 -DE/DX = 0.0 ! ! D70 D(2,16,18,19) -99.5206 -DE/DX = 0.0 ! ! D71 D(2,16,18,22) 73.0754 -DE/DX = 0.0 ! ! D72 D(13,16,18,19) 167.8772 -DE/DX = 0.0 ! ! D73 D(13,16,18,22) -19.5268 -DE/DX = 0.0 ! ! D74 D(17,16,18,19) 13.7138 -DE/DX = 0.0 ! ! D75 D(17,16,18,22) -173.6902 -DE/DX = 0.0 ! ! D76 D(16,18,22,20) 0.0004 -DE/DX = 0.0 ! ! D77 D(16,18,22,23) -172.5665 -DE/DX = 0.0 ! ! D78 D(19,18,22,20) 172.5668 -DE/DX = 0.0 ! ! D79 D(19,18,22,23) 0.0 -DE/DX = 0.0 ! ! D80 D(1,20,22,18) -73.0761 -DE/DX = 0.0 ! ! D81 D(1,20,22,23) 99.5203 -DE/DX = 0.0 ! ! D82 D(13,20,22,18) 19.5262 -DE/DX = 0.0 ! ! D83 D(13,20,22,23) -167.8773 -DE/DX = 0.0 ! ! D84 D(21,20,22,18) 173.6906 -DE/DX = 0.0 ! ! D85 D(21,20,22,23) -13.713 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-264|Freq|RB3LYP|6-31G(d)|C11H10O2|CSW114|03 -Nov-2016|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6- 31G(d) Freq||Title Card Required||0,1|C,-0.138815,-0.705039,-1.077071| C,-0.138821,0.705041,-1.07707|C,-1.111906,1.460863,-0.25658|C,-1.91010 2,0.672464,0.721654|C,-1.910094,-0.672485,0.721654|C,-1.111887,-1.4608 74,-0.256581|H,0.220732,-1.24627,-1.94747|H,0.220707,1.246275,-1.94747 5|H,-2.531693,1.253153,1.398966|H,-2.531678,-1.253182,1.398965|O,-1.27 3949,2.672458,-0.366121|O,-1.273913,-2.672472,-0.366121|C,2.385846,0.0 00011,-0.658615|H,2.330582,0.000012,-1.748582|H,3.451035,0.000014,-0.3 73829|C,1.706179,1.154408,0.042863|H,1.872878,2.195792,-0.210636|C,1.3 76649,0.699634,1.331442|H,1.049073,1.329278,2.151337|C,1.706186,-1.154 389,0.042862|H,1.87288,-2.195772,-0.210646|C,1.376648,-0.699622,1.3314 39|H,1.049072,-1.329269,2.151331||Version=EM64W-G09RevD.01|State=1-A|H F=-575.5291475|RMSD=4.476e-009|RMSF=4.363e-006|ZeroPoint=0.1811536|The rmal=0.1913729|Dipole=1.1922893,0.0000056,0.3993117|DipoleDeriv=-0.436 0961,-0.3086208,-0.0115922,-0.2884635,-0.0537156,-0.0140083,0.2283072, 0.0694026,-0.0006734,-0.4360924,0.3086142,-0.0115837,0.2884582,-0.0537 058,0.0140082,0.2283092,-0.0693999,-0.0006704,0.9059862,-0.1347016,-0. 0872009,-0.4570341,1.1888299,-0.2124243,-0.5578822,-0.0890813,0.285231 6,-0.0887986,-0.1948774,0.0006512,-0.207533,-0.0748759,0.1688086,0.036 7903,0.2121113,-0.0590233,-0.0888029,0.1948765,0.0006529,0.207534,-0.0 748702,-0.1688081,0.036792,-0.2121111,-0.059023,0.9059839,0.1346997,-0 .0872011,0.4570325,1.1888379,0.2124243,-0.5578863,0.0890739,0.2852298, 0.0404508,0.0052874,0.0273253,-0.011098,0.0117757,-0.0454172,0.0725638 ,-0.0376349,-0.0109364,0.0404495,-0.0052848,0.0273209,0.0110991,0.0117 766,0.0454173,0.0725621,0.0376368,-0.0109376,0.0277008,0.0363545,0.061 4739,0.0493776,0.0226652,-0.044225,0.0823215,-0.0218221,0.0318828,0.02 7702,-0.036354,0.0614731,-0.049377,0.0226643,0.0442256,0.0823209,0.021 823,0.0318832,-0.5557779,0.080251,0.0149577,0.4303086,-1.1422969,0.166 5509,0.1223837,0.0897346,-0.3706507,-0.5557718,-0.0802423,0.0149597,-0 .4303029,-1.1423042,-0.1665516,0.1223856,-0.0897329,-0.3706502,-0.0512 665,-0.0000014,0.160573,-0.0000019,-0.1265029,0.,-0.0293988,-0.0000007 ,0.141896,0.0790597,0.0000003,-0.0604844,0.,0.0530397,-0.0000005,0.043 2259,0.0000001,-0.1063207,-0.1250596,-0.0000006,-0.028265,-0.0000003,0 .0816893,0.,-0.0296211,0.,0.02752,0.277318,0.0253308,-0.0447943,-0.018 4095,0.0852514,-0.0576925,-0.080432,-0.1621655,0.0099113,0.0166939,-0. 0192175,0.0106668,-0.0133531,-0.0350712,0.0176713,0.0053192,0.0036311, 0.0664719,-0.2662118,-0.2493329,-0.0923803,-0.205075,-0.0462879,0.0399 405,0.0604911,0.0648882,0.0090763,0.1273651,0.0505811,0.0849771,0.0163 235,0.0396032,-0.0537388,0.0380351,-0.0409202,0.0071609,0.2773169,-0.0 253254,-0.0447942,0.018412,0.0852499,0.0576933,-0.0804363,0.1621666,0. 0099129,0.0166976,0.0192129,0.0106666,0.0133531,-0.0350701,-0.0176715, 0.005321,-0.0036331,0.0664713,-0.2662114,0.2493305,-0.0923774,0.205073 6,-0.0462855,-0.0399408,0.0604928,-0.0648864,0.0090754,0.1273646,-0.05 05801,0.0849754,-0.0163239,0.0396033,0.0537386,0.0380352,0.0409198,0.0 071625|Polar=119.7533646,-0.0000078,136.3143082,-3.5795058,0.0000231,9 6.7738304|PG=C01 [X(C11H10O2)]|NImag=1||0.26265895,0.05753601,0.642086 02,-0.23477703,0.11139660,0.46372846,-0.07486817,0.02687139,0.02319992 ,0.26265664,-0.02686882,-0.32080205,-0.02447893,-0.05754138,0.64208305 ,0.02319987,0.02447896,-0.10266081,-0.23477258,-0.11140109,0.46373036, -0.00027706,0.00294631,-0.00745930,-0.12749433,0.03827730,0.08095037,0 .36245671,0.02051123,-0.02294501,-0.01600846,0.02129280,-0.10354321,-0 .02188113,-0.09130083,0.89661695,0.00300757,-0.01352132,0.00610494,0.0 7004435,-0.01416626,-0.13550486,-0.15559414,-0.05928367,0.37735239,-0. 00090043,-0.00101889,0.00018444,-0.00725176,-0.00929737,0.02320840,-0. 13349670,-0.01679933,0.06381313,0.33481511,-0.00083644,-0.00153009,0.0 0144111,0.00315396,0.01512328,-0.00847075,-0.01436363,-0.09044493,0.01 751083,-0.06207479,0.82775318,0.00190971,0.00273425,-0.00087179,0.0176 6218,0.00614152,-0.00886173,0.06269109,0.01969752,-0.14831726,-0.24200 685,0.04839760,0.38948089,-0.00725199,0.00929713,0.02320829,-0.0009004 3,0.00101892,0.00018444,0.00565216,-0.01499610,-0.00498008,-0.08367230 ,-0.00714099,0.04029801,0.33481351,-0.00315423,0.01512341,0.00847107,0 .00083643,-0.00153007,-0.00144109,-0.00599154,-0.02899800,0.00832258,0 .00714606,-0.51632275,-0.00511819,0.06206986,0.82775445,0.01766229,-0. 00614134,-0.00886181,0.00190976,-0.00273422,-0.00087179,-0.00376994,0. 02003586,0.00523237,0.04029794,0.00511869,-0.08908015,-0.24200582,-0.0 4840173,0.38948017,-0.12749433,-0.03827852,0.08095120,-0.00027680,-0.0 0294609,-0.00745940,0.00816673,-0.00241194,-0.01854797,0.00565188,0.00 599200,-0.00376966,-0.13349655,0.01436248,0.06269062,0.36245488,-0.021 29415,-0.10354476,0.02188298,-0.02051086,-0.02294532,0.01600831,0.0024 1205,0.00011028,0.00087621,0.01499653,-0.02899763,-0.02003593,0.016798 24,-0.09044423,-0.01969595,0.09129431,0.89661677,0.07004557,0.01416794 ,-0.13550548,0.00300741,0.01352148,0.00610505,-0.01854796,-0.00087646, 0.00798044,-0.00497990,-0.00832266,0.00523234,0.06381264,-0.01750938,- 0.14831654,-0.15559535,0.05927935,0.37735236,-0.06271985,0.03626388,0. 08775744,0.00385286,0.00561142,0.00188732,0.00408039,0.00074082,0.0018 6995,0.00018812,-0.00063847,-0.00090604,-0.00193617,-0.00392343,0.0029 2715,-0.00694626,0.01165174,0.01914894,0.07546293,0.04292778,-0.121957 38,-0.11545408,0.01248674,-0.01277000,-0.02553772,-0.00544580,-0.00302 498,0.00176515,0.00024795,0.00007188,0.00023573,-0.00238894,-0.0015010 9,0.00092443,-0.00442459,0.00968128,0.01390906,-0.04786251,0.12851936, 0.09423166,-0.11972799,-0.23367598,-0.00053069,0.00573689,0.00679238,0 .00307366,0.00220917,0.00171990,-0.00056869,-0.00015236,-0.00009726,0. 00243764,0.00254889,-0.00008046,0.00399242,-0.01374142,-0.01229528,-0. 09388412,0.12292363,0.24279495,0.00385311,-0.00561150,0.00188724,-0.06 271659,-0.03626115,0.08775359,-0.00694609,-0.01165188,0.01914930,-0.00 193630,0.00392341,0.00292715,0.00018811,0.00063847,-0.00090605,0.00408 033,-0.00074076,0.00186999,-0.00234797,0.00052699,-0.00199923,0.075459 29,-0.01248632,-0.01277030,0.02553788,-0.04292542,-0.12195780,0.115455 61,0.00442427,0.00968117,-0.01390883,0.00238893,-0.00150099,-0.0009243 7,-0.00024795,0.00007189,-0.00023575,0.00544587,-0.00302494,-0.0017650 9,-0.00052706,0.00120255,-0.00066005,0.04786011,0.12852008,-0.00053067 ,-0.00573699,0.00679241,0.09422817,0.11972986,-0.23367870,0.00399217,0 .01374146,-0.01229539,0.00243766,-0.00254885,-0.00008048,-0.00056868,0 .00015234,-0.00009726,0.00307361,-0.00220911,0.00171987,-0.00199917,0. 00066000,-0.00016380,-0.09388065,-0.12292540,0.24279755,-0.00003517,-0 .00037985,-0.00138414,0.00006647,-0.00273649,0.00269632,-0.00743519,0. 01218744,0.01119847,-0.14141021,0.08703049,0.11178537,0.00703894,-0.00 280835,0.00159954,0.00815492,-0.00152275,0.00580842,-0.00008301,0.0001 9358,-0.00021497,-0.00067544,0.00056566,0.00071830,0.13872151,0.000244 37,-0.00016473,-0.00031485,-0.00131182,-0.00224400,0.00210992,-0.01062 009,0.01038647,0.01152371,0.08660696,-0.13497132,-0.09354605,0.0199149 6,-0.01278098,-0.02181634,-0.00294255,-0.00215914,0.00439761,0.0001207 5,0.00008814,-0.00015016,-0.00066514,0.00059304,0.00052728,-0.09310227 ,0.14074069,-0.00103444,0.00032962,-0.00050075,0.00190522,0.00343285,- 0.00166024,0.01304982,-0.01518706,-0.00838730,0.11012127,-0.09194544,- 0.16234362,0.00081556,0.00086845,0.00770820,0.00749571,0.00090690,0.00 572220,-0.00013972,-0.00002852,-0.00019367,0.00094348,-0.00042937,-0.0 0033214,-0.12380206,0.10109125,0.16140626,0.00006639,0.00273652,0.0026 9635,-0.00003518,0.00037985,-0.00138414,0.00815487,0.00152286,0.005808 48,0.00703915,0.00280864,0.00159925,-0.14140839,-0.08703101,0.11178451 ,-0.00743513,-0.01218767,0.01119856,-0.00067543,-0.00056567,0.00071831 ,-0.00008300,-0.00019358,-0.00021497,-0.00337515,-0.00035454,-0.004035 26,0.13871951,0.00131186,-0.00224396,-0.00210989,-0.00024437,-0.000164 73,0.00031483,0.00294266,-0.00215909,-0.00439755,-0.01991471,-0.012781 16,0.02181633,-0.08660744,-0.13497377,0.09354772,0.01061987,0.01038647 ,-0.01152356,0.00066513,0.00059304,-0.00052727,-0.00012075,0.00008814, 0.00015015,0.00035449,0.00099104,-0.00011787,0.09310266,0.14074326,0.0 0190530,-0.00343284,-0.00166026,-0.00103445,-0.00032963,-0.00050076,0. 00749574,-0.00090681,0.00572220,0.00081554,-0.00086845,0.00770821,0.11 012041,0.09194710,-0.16234361,0.01304959,0.01518722,-0.00838728,0.0009 4347,0.00042938,-0.00033214,-0.00013972,0.00002852,-0.00019366,-0.0040 3527,0.00011783,-0.00261565,-0.12380106,-0.10109305,0.16140623,-0.0008 4802,0.00052671,0.00601698,0.00320359,0.04030446,0.00009793,-0.0909236 6,0.07775749,0.01132958,0.02084807,-0.02148916,0.00545454,-0.00044811, -0.00310979,0.00267165,-0.00498794,-0.00020143,0.00584066,-0.00072804, 0.00234450,-0.00099971,0.00070658,-0.00105800,-0.00223534,0.00096481,0 .00100035,-0.00319557,-0.00173466,-0.00096145,-0.00196926,0.07097922,0 .00202873,0.00642598,-0.00651962,0.03345865,-0.05341470,-0.00968692,0. 08029962,-0.66704260,0.05800704,-0.00878097,-0.06415680,0.02646669,-0. 00655615,0.00759354,0.00562208,0.00138671,0.00031855,0.00061764,0.0002 7958,-0.00193074,0.00006643,-0.00170389,0.00086054,-0.00203377,-0.0007 3200,0.00164718,0.00066494,-0.00086228,-0.00231150,-0.00056915,-0.0985 2773,0.77513794,0.00196579,0.00020722,-0.00044522,0.00351233,-0.025796 24,0.01597654,0.01303057,0.05686007,-0.09118600,0.00172572,0.04016644, 0.01070019,0.00425679,0.00210118,-0.00302427,0.00477823,-0.00045859,-0 .00381395,-0.00033192,-0.00078989,-0.00022317,-0.00335819,0.00141627,0 .00246743,-0.00325857,-0.00206514,0.00172127,-0.00108524,0.00186492,-0 .00066111,-0.02213035,-0.07218567,0.06512933,0.00320456,-0.04030365,0. 00009779,-0.00084792,-0.00052677,0.00601688,-0.00498791,0.00020136,0.0 0584066,-0.00044825,0.00310967,0.00267173,0.02084761,0.02149030,0.0054 5484,-0.09092160,-0.07774890,0.01133050,0.00070655,0.00105801,-0.00223 539,-0.00072802,-0.00234447,-0.00099970,-0.00173468,0.00096146,-0.0019 6926,0.00096481,-0.00100038,-0.00319556,0.00214257,-0.00003745,-0.0016 8020,0.07097666,-0.03345796,-0.05341591,0.00968706,-0.00202872,0.00642 604,0.00651971,-0.00138679,0.00031855,-0.00061752,0.00655604,0.0075936 1,-0.00562205,0.00878204,-0.06415613,-0.02646649,-0.08029094,-0.667041 78,-0.05800610,0.00170386,0.00086060,0.00203375,-0.00027960,-0.0019307 6,-0.00006646,0.00086228,-0.00231148,0.00056911,0.00073201,0.00164717, -0.00066498,0.00003749,-0.00002491,0.00022471,0.09851742,0.77513762,0. 00351201,0.02579638,0.01597651,0.00196578,-0.00020722,-0.00044523,0.00 477823,0.00045866,-0.00381394,0.00425679,-0.00210112,-0.00302427,0.001 72623,-0.04016624,0.01070023,0.01303143,-0.05685910,-0.09118610,-0.003 35818,-0.00141630,0.00246739,-0.00033194,0.00078988,-0.00022317,-0.001 08522,-0.00186493,-0.00066111,-0.00325859,0.00206511,0.00172127,-0.001 68020,-0.00022474,0.00145722,-0.02213140,0.07218433,0.06512945,-0.0290 7306,0.00907889,-0.00565542,-0.02907315,-0.00907918,-0.00565534,0.0004 5774,-0.00197243,-0.00081358,-0.00137023,-0.00162189,0.00066001,-0.001 37026,0.00162187,0.00066000,0.00045771,0.00197240,-0.00081350,0.001429 68,-0.00048525,0.00172243,0.00142980,0.00048528,0.00172239,0.00015165, -0.00002355,0.00013142,0.00015164,0.00002355,0.00013141,-0.00029220,0. 00034068,-0.00034996,-0.00029221,-0.00034067,-0.00034998,0.51845269,-0 .00678169,-0.00103386,-0.00037543,0.00678144,-0.00103390,0.00037535,-0 .00061576,0.00087402,0.00116528,-0.00015106,0.00006622,-0.00009734,0.0 0015104,0.00006624,0.00009736,0.00061577,0.00087408,-0.00116532,0.0001 8814,-0.00003901,0.00004528,-0.00018814,-0.00003900,-0.00004525,0.0000 6486,0.00004495,-0.00001723,-0.00006486,0.00004495,0.00001724,0.000003 59,-0.00032963,-0.00026554,-0.00000359,-0.00032964,0.00026555,0.000001 28,0.40086346,-0.00783380,0.00167590,-0.00037438,-0.00783382,-0.001675 97,-0.00037438,0.00104936,0.00006345,-0.00096785,0.00013901,-0.0004674 5,0.00019759,0.00013900,0.00046745,0.00019759,0.00104937,-0.00006346,- 0.00096784,-0.00061492,-0.00083546,-0.00012534,-0.00061489,0.00083543, -0.00012534,-0.00003783,0.00007123,-0.00006020,-0.00003783,-0.00007123 ,-0.00006020,-0.00077577,0.00036918,-0.00008877,-0.00077579,-0.0003691 8,-0.00008877,-0.00407071,-0.00000077,0.65313592,-0.00076622,-0.000598 87,0.00125014,-0.00076622,0.00059886,0.00125016,-0.00027955,0.00024564 ,-0.00011194,0.00012487,0.00003997,-0.00002044,0.00012487,-0.00003997, -0.00002044,-0.00027954,-0.00024564,-0.00011194,-0.00056204,-0.0005518 7,-0.00001350,-0.00056203,0.00055184,-0.00001351,0.00002936,0.00000207 ,-0.00001541,0.00002936,-0.00000207,-0.00001541,0.00007350,-0.00019993 ,-0.00003734,0.00007350,0.00019993,-0.00003734,-0.04607228,0.,-0.02078 996,0.05491180,-0.00049543,-0.00006660,0.00155863,0.00049539,-0.000066 62,-0.00155863,-0.00008238,-0.00007252,0.00047212,-0.00006244,0.000101 63,-0.00007686,0.00006244,0.00010164,0.00007686,0.00008238,-0.00007253 ,-0.00047212,-0.00030865,-0.00021216,-0.00017299,0.00030864,-0.0002121 5,0.00017300,-0.00004468,-0.00000655,-0.00002067,0.00004468,-0.0000065 5,0.00002067,0.00002165,-0.00008025,-0.00003074,-0.00002164,-0.0000802 5,0.00003074,0.,-0.05126084,0.00000023,0.00000003,0.04959706,-0.001387 17,0.00003879,-0.00007651,-0.00138718,-0.00003883,-0.00007650,-0.00030 989,-0.00037816,-0.00009407,-0.00007778,0.00012851,0.00019650,-0.00007 778,-0.00012851,0.00019650,-0.00030991,0.00037816,-0.00009407,0.000221 05,0.00016361,0.00082053,0.00022107,-0.00016360,0.00082052,-0.00001487 ,-0.00002341,0.00005222,-0.00001487,0.00002341,0.00005222,0.00003796,- 0.00001484,0.00004908,0.00003797,0.00001485,0.00004908,-0.01545129,0.0 0000025,-0.32146857,0.01947339,-0.00000019,0.34710523,-0.00239793,0.00 179941,0.00022950,-0.00239795,-0.00179942,0.00022950,0.00018144,-0.000 51064,-0.00061785,-0.00012899,-0.00014930,0.00016780,-0.00012899,0.000 14930,0.00016780,0.00018143,0.00051063,-0.00061783,0.00041790,-0.00008 022,0.00021677,0.00041790,0.00008023,0.00021676,-0.00000267,0.00000126 ,0.00004684,-0.00000267,-0.00000126,0.00004684,-0.00016959,0.00026533, 0.00011754,-0.00016959,-0.00026533,0.00011754,-0.27685225,-0.00000076, -0.06497456,-0.00122579,0.,-0.00125495,0.30552927,-0.00309869,-0.00140 458,0.00080395,0.00309873,-0.00140453,-0.00080395,-0.00063312,0.000476 43,0.00112576,0.00002113,0.00016746,-0.00014396,-0.00002113,0.00016746 ,0.00014396,0.00063312,0.00047643,-0.00112575,0.00031056,-0.00002216,0 .00032616,-0.00031057,-0.00002216,-0.00032615,-0.00001155,0.00003029,- 0.00005389,0.00001155,0.00003029,0.00005389,0.00039446,-0.00042494,-0. 00015508,-0.00039445,-0.00042495,0.00015508,-0.00000074,-0.03499948,-0 .00000015,0.,0.00024640,0.,0.00000081,0.04387665,-0.00003766,-0.000951 78,0.00030585,-0.00003766,0.00095177,0.00030586,-0.00016569,-0.0003259 0,-0.00044245,0.00024268,0.00035079,0.00013437,0.00024269,-0.00035078, 0.00013437,-0.00016570,0.00032590,-0.00044246,0.00011218,0.00015899,0. 00042033,0.00011219,-0.00015898,0.00042033,-0.00002858,-0.00001094,0.0 0003455,-0.00002857,0.00001094,0.00003455,-0.00001471,0.00015822,0.000 09856,-0.00001471,-0.00015822,0.00009857,-0.06077230,-0.00000011,-0.06 338733,-0.03085812,-0.00000010,-0.00730653,0.06941528,0.00000020,0.068 72682,0.00455158,-0.03564130,0.00801452,0.04182423,0.02831271,0.022151 02,-0.02069378,0.01158922,0.00032475,0.00154679,0.00166314,0.00092571, 0.00060055,0.00013650,-0.00057763,0.00185204,0.00117701,-0.00617744,-0 .00236876,0.00084391,-0.00096241,-0.00665405,-0.00125173,-0.00400881,0 .00023407,0.00018487,-0.00023185,-0.00035252,0.00013968,-0.00015073,0. 00160729,-0.00741599,0.00051446,-0.00092834,-0.00192970,0.00135726,-0. 07025285,0.04302654,0.03162878,-0.00248046,-0.00362558,-0.00156035,-0. 01330484,0.02593932,0.00994312,0.18808079,-0.00309886,-0.00579632,-0.0 0252942,0.00603650,-0.01094391,0.00515317,0.00137566,-0.00067672,0.000 89598,0.00059008,0.00052495,-0.00009905,0.00047191,-0.00037250,0.00030 508,0.00025706,-0.00241807,-0.00056913,-0.00092985,-0.00068340,0.00013 781,0.00246612,0.00066115,0.00146462,-0.00017993,0.00001171,-0.0000398 1,-0.00005265,-0.00002062,-0.00008170,0.00170303,-0.00090682,-0.000041 79,-0.00045855,0.00032887,0.00035617,0.03634391,-0.15072495,-0.0364278 4,-0.00178560,0.00454392,0.00204212,0.00066325,-0.00158771,0.00076488, 0.01768335,0.71592569,0.01562908,-0.04384118,0.00958643,0.05655253,0.0 4011425,0.01553741,-0.00884432,0.00746219,0.00337229,0.00097225,0.0014 3365,-0.00014002,0.00024316,-0.00046964,-0.00182426,0.00205072,0.00329 328,-0.00683357,-0.00506726,0.00071691,-0.00179082,-0.01374408,-0.0021 9137,-0.00877068,0.00003181,0.00020833,-0.00020432,-0.00021745,0.00010 630,0.00004745,0.00182057,-0.00359988,0.00086398,-0.00119859,-0.004034 64,0.00171308,0.04368792,-0.04609201,-0.09854127,0.01349204,-0.0246184 6,-0.00802464,-0.00082591,0.00251134,0.00148188,-0.18305268,-0.1191327 0,0.46725874,-0.00150932,0.00168710,-0.00098435,-0.00649189,-0.0067567 5,0.00005635,0.00161265,-0.00429546,-0.00082262,0.00002695,-0.00013412 ,-0.00004117,0.00013481,-0.00006027,0.00007548,0.00009389,0.00002391,0 .00006527,0.00004563,-0.00016994,0.00000379,0.00087488,-0.00015962,0.0 0014857,-0.00004291,-0.00000300,0.00002235,-0.00001382,0.00001066,-0.0 0000696,0.00124614,0.00257480,0.00004252,0.00004532,-0.00024162,0.0000 9269,0.00427556,0.01423379,-0.00685785,-0.00007441,-0.00005051,0.00023 326,0.00028796,-0.00097166,-0.00047790,-0.04278556,-0.04521499,0.02685 609,0.03949475,0.00037131,-0.00036397,0.00004413,0.00009158,-0.0001732 6,0.00058536,-0.00018996,-0.00017927,0.00001050,-0.00002934,-0.0000315 6,-0.00007581,0.00000230,0.00005929,-0.00000539,0.00005986,0.00006245, -0.00016714,0.00002236,-0.00000240,0.00005763,-0.00016545,0.00022341,- 0.00052090,0.00001663,0.00001152,-0.00001433,0.00001316,0.00000824,0.0 0001535,0.00004706,0.00029527,-0.00000575,-0.00002646,0.00003074,0.000 02805,-0.00665693,-0.00878417,0.00626298,-0.00001188,0.00019671,-0.000 38163,0.00039192,-0.00011805,0.00007841,-0.03990264,-0.32877344,0.0694 8726,0.04501558,0.34192177,-0.00050870,0.00035504,-0.00026370,-0.00244 546,-0.00374790,0.00021294,0.00057768,-0.00076220,-0.00018833,0.000096 84,-0.00004412,-0.00002365,0.00010213,-0.00008048,0.00003688,-0.000174 43,-0.00012637,0.00012152,0.00010127,-0.00011077,0.00008362,0.00015885 ,-0.00031448,0.00001409,0.00000637,0.00001081,-0.00000603,-0.00002682, -0.00000542,-0.00002337,0.00029255,0.00045309,-0.00029572,0.00003769,- 0.00010415,0.00004011,-0.00675572,-0.01165505,0.00514046,-0.00054515,0 .00073058,0.00016099,0.00033276,0.00010657,0.00037060,0.02156791,0.063 01850,-0.06625268,-0.01947940,-0.07329493,0.06554306,-0.00062042,-0.00 524205,-0.00188377,-0.00101740,0.00109586,-0.00610026,-0.00194538,0.00 068586,-0.00245142,0.00005298,0.00017131,-0.00008523,-0.00011807,-0.00 077698,-0.00152873,0.00185261,0.00187964,-0.00209647,-0.00110376,0.000 09603,-0.00056397,-0.00124957,0.00005931,-0.00069154,0.00002740,0.0001 4338,0.00003021,-0.00015500,0.00002351,0.00000200,0.00004936,0.0002553 1,0.00037957,-0.00088762,-0.00212017,0.00034245,-0.00802494,0.00402861 ,0.02465488,0.00036773,0.00316043,0.00083689,0.00108318,0.00044998,0.0 0235855,-0.07610764,-0.01712104,0.06636893,0.00121801,0.00013042,0.003 49272,0.20494875,0.02154490,-0.03225208,0.01244544,0.02891615,0.027594 06,0.02005955,-0.00220842,0.00211102,0.00055595,0.00005186,0.00006480, -0.00001332,0.00002006,-0.00056455,-0.00057560,-0.00061280,0.00093881, -0.00305388,-0.00453881,0.00065459,-0.00181640,-0.00337783,-0.00038672 ,-0.00172740,0.00008904,0.00009481,-0.00007123,-0.00014374,0.00000331, -0.00000323,0.00003830,0.00052452,0.00040605,-0.00063052,-0.00259283,0 .00104353,0.00439143,0.00368661,-0.01563073,0.00348954,-0.00452412,-0. 00019038,0.00212461,-0.00158388,0.00234816,-0.03702499,-0.12428311,0.0 3218121,-0.00229359,-0.00150129,0.02921213,-0.05111398,0.66653105,-0.0 1320453,0.02111889,-0.01133361,-0.02739109,-0.02716223,-0.02246993,-0. 00056336,-0.00090736,0.00122727,-0.00063703,0.00010636,-0.00044597,-0. 00029872,0.00036133,0.00109338,0.00222296,0.00006982,0.00004259,0.0016 0991,0.00025743,0.00069451,0.00308003,0.00048971,0.00177834,0.00022455 ,-0.00003104,0.00000644,0.00014119,0.00010774,0.00025697,0.00078706,-0 .00074314,-0.00084269,-0.00013814,0.00157341,-0.00000570,0.00639364,-0 .00913169,-0.03577321,0.00133752,-0.00245971,-0.00207619,-0.00153366,- 0.00045346,-0.00113403,0.09617171,0.07185442,-0.28032540,-0.00310541,- 0.00237035,0.00094683,-0.17435503,0.10441458,0.66905921,0.00075826,0.0 0080519,0.00044317,-0.00064585,-0.00017724,0.00010016,0.00005402,-0.00 024392,-0.00044123,-0.00028465,-0.00013348,-0.00020436,-0.00001136,0.0 0001109,0.00031207,-0.00013564,-0.00052824,0.00020312,0.00021388,-0.00 008175,0.00004937,0.00010223,0.00002097,0.00007862,-0.00009952,0.00001 113,0.00000455,0.00002617,-0.00000526,0.00001285,0.00003096,0.00012645 ,0.00016893,0.00005084,0.00049089,-0.00005306,0.00493446,0.00028904,0. 00356579,-0.00023963,0.00099268,0.00063733,0.00030790,-0.00091342,-0.0 0082439,0.00072354,0.00434276,0.00361424,-0.00237631,-0.00003716,-0.00 149512,-0.06466485,0.05469582,0.07416490,0.05615557,0.00026357,-0.0002 9988,0.00040930,0.00012335,0.00047978,0.00008974,0.00025609,0.00011059 ,-0.00045557,0.00006780,0.00018912,0.00018246,0.00005019,-0.00004111,0 .00019503,0.00039159,-0.00018227,-0.00032963,-0.00001784,-0.00002945,0 .00004486,-0.00011127,0.00000344,-0.00003448,-0.00007808,0.00002759,-0 .00000732,-0.00004826,-0.00002016,-0.00000005,-0.00011246,-0.00003863, 0.00009074,-0.00016541,0.00009109,0.00011545,-0.00017045,-0.00106098,0 .00312078,-0.00030905,0.00082861,0.00030624,0.00005023,-0.00009458,-0. 00006846,-0.00532268,0.01142708,0.00906089,0.00003960,0.00021736,-0.00 092582,0.05285649,-0.15780958,-0.12551628,-0.05677904,0.15845871,0.000 07360,0.00039113,0.00029601,-0.00054399,0.00013379,0.00015941,0.000275 19,-0.00100477,-0.00074592,-0.00008174,0.00005496,0.00009536,-0.000006 27,-0.00002349,0.00023474,0.00019144,-0.00023021,-0.00009901,0.0001500 4,-0.00000279,0.00008927,0.00007796,-0.00001517,0.00007350,-0.00009871 ,-0.00001225,0.00002724,-0.00000589,0.00001424,0.00000560,0.00004170,0 .00075814,0.00035387,-0.00009121,0.00017102,0.00001596,0.00112642,0.00 198062,-0.00354698,0.00075150,-0.00084142,-0.00017302,0.00027334,-0.00 030144,-0.00028616,0.00847707,-0.01843065,-0.01088717,-0.00111862,0.00 047643,0.00033813,0.07032890,-0.12563728,-0.22314882,-0.07984037,0.138 27810,0.23015021,0.04182461,-0.02831209,0.02215094,0.00455135,0.035641 44,0.00801446,0.00185206,-0.00117689,-0.00617735,0.00060058,-0.0001364 7,-0.00057764,0.00154685,-0.00166311,0.00092573,-0.02069379,-0.0115896 4,0.00032465,-0.00665417,0.00125167,-0.00400904,-0.00236887,-0.0008439 4,-0.00096241,-0.00035253,-0.00013968,-0.00015074,0.00023408,-0.000184 87,-0.00023185,-0.00092838,0.00192966,0.00135726,0.00160714,0.00741607 ,0.00051447,-0.07025280,-0.04302689,0.03162888,-0.00248051,0.00362559, -0.00156035,-0.01330473,-0.02593946,0.00994309,-0.00986244,0.00487539, -0.02206981,-0.00319208,0.00171572,0.00168082,0.00296333,-0.00842794,0 .01353919,0.00499920,0.00041862,0.00249531,0.18808116,-0.00603601,-0.0 1094408,-0.00515283,0.00309899,-0.00579604,0.00252955,-0.00025705,-0.0 0241805,0.00056908,-0.00047189,-0.00037251,-0.00030509,-0.00059008,0.0 0052493,0.00009906,-0.00137579,-0.00067679,-0.00089599,-0.00246613,0.0 0066111,-0.00146471,0.00092984,-0.00068340,-0.00013783,0.00005265,-0.0 0002062,0.00008170,0.00017993,0.00001171,0.00003981,0.00045854,0.00032 889,-0.00035616,-0.00170304,-0.00090687,0.00004179,-0.03634414,-0.1507 2649,0.03642852,0.00178558,0.00454396,-0.00204215,-0.00066330,-0.00158 786,-0.00076486,-0.00487511,-0.06229675,0.00121075,-0.00005271,-0.0025 5815,-0.00423870,0.00876094,-0.03516088,-0.02992432,-0.00074042,-0.006 22001,0.00159250,-0.01768244,0.71592543,0.05655276,-0.04011352,0.01553 753,0.01562883,0.04384142,0.00958639,0.00205078,-0.00329318,-0.0068334 6,0.00024316,0.00046964,-0.00182426,0.00097228,-0.00143364,-0.00013999 ,-0.00884428,-0.00746230,0.00337216,-0.01374416,0.00219116,-0.00877098 ,-0.00506738,-0.00071697,-0.00179079,-0.00021746,-0.00010630,0.0000474 4,0.00003181,-0.00020833,-0.00020432,-0.00119865,0.00403458,0.00171306 ,0.00182053,0.00359987,0.00086402,0.04368771,0.04609268,-0.09854181,0. 01349193,0.02461856,-0.00802459,-0.00082592,-0.00251143,0.00148193,-0. 02206987,-0.00121091,-0.03472396,0.00415057,-0.00174316,-0.00187826,-0 .00260353,-0.07460545,0.01957269,0.00215404,0.00015449,0.00076258,-0.1 8305523,0.11913448,0.46726509,-0.00649225,0.00675688,0.00005616,-0.001 50935,-0.00168721,-0.00098440,0.00009388,-0.00002390,0.00006530,0.0001 3480,0.00006027,0.00007549,0.00002693,0.00013413,-0.00004118,0.0016125 8,0.00429559,-0.00082258,0.00087487,0.00015969,0.00014859,0.00004564,0 .00016994,0.00000379,-0.00001382,-0.00001066,-0.00000696,-0.00004291,0 .00000300,0.00002235,0.00004532,0.00024159,0.00009268,0.00124624,-0.00 257480,0.00004251,0.00427559,-0.01423371,-0.00685790,-0.00007441,0.000 05052,0.00023326,0.00028794,0.00097166,-0.00047790,-0.00319205,0.00005 270,0.00415055,0.00212258,-0.00026150,0.00032522,0.00449369,0.00315669 ,0.00098549,0.00051344,0.00028606,-0.00016324,-0.04278507,0.04521301,0 .02685611,0.03949459,-0.00009144,-0.00017337,-0.00058536,-0.00037130,- 0.00036394,-0.00004411,-0.00005985,0.00006245,0.00016713,-0.00000230,0 .00005929,0.00000540,0.00002934,-0.00003156,0.00007581,0.00018994,-0.0 0017928,-0.00001050,0.00016541,0.00022343,0.00052090,-0.00002236,-0.00 000240,-0.00005763,-0.00001316,0.00000824,-0.00001535,-0.00001663,0.00 001152,0.00001433,0.00002646,0.00003074,-0.00002805,-0.00004708,0.0002 9528,0.00000576,0.00665692,-0.00878422,-0.00626308,0.00001188,0.000196 72,0.00038163,-0.00039193,-0.00011806,-0.00007841,-0.00171576,-0.00255 817,0.00174313,0.00026152,-0.00043786,-0.00079796,0.00080014,-0.000062 22,-0.00075322,-0.00020360,-0.00004110,0.00001792,0.03990122,-0.328771 95,-0.06948916,-0.04501410,0.34192022,-0.00244568,0.00374800,0.0002128 3,-0.00050873,-0.00035513,-0.00026373,-0.00017443,0.00012637,0.0001215 4,0.00010212,0.00008048,0.00003688,0.00009684,0.00004413,-0.00002365,0 .00057767,0.00076219,-0.00018831,0.00015880,0.00031455,0.00001410,0.00 010128,0.00011077,0.00008362,-0.00002682,0.00000542,-0.00002337,0.0000 0637,-0.00001081,-0.00000603,0.00003769,0.00010413,0.00004010,0.000292 57,-0.00045306,-0.00029574,-0.00675565,0.01165505,0.00514054,-0.000545 16,-0.00073059,0.00016100,0.00033275,-0.00010656,0.00037059,0.00168084 ,0.00423871,-0.00187822,0.00032520,0.00079795,0.00133796,0.00307322,-0 .00075326,-0.00571104,-0.00041519,-0.00156831,0.00029563,0.02156815,-0 .06302069,-0.06625400,-0.01947936,0.07329693,0.06554450,-0.00101736,-0 .00109597,-0.00610022,-0.00062035,0.00524224,-0.00188377,0.00185263,-0 .00187961,-0.00209647,-0.00011809,0.00077698,-0.00152873,0.00005295,-0 .00017129,-0.00008523,-0.00194544,-0.00068593,-0.00245152,-0.00124956, -0.00005934,-0.00069156,-0.00110382,-0.00009606,-0.00056398,-0.0001550 0,-0.00002352,0.00000199,0.00002741,-0.00014338,0.00003021,-0.00088765 ,0.00212016,0.00034246,0.00004938,-0.00025530,0.00037959,-0.00802480,- 0.00402864,0.02465475,0.00036775,-0.00316042,0.00083686,0.00108318,-0. 00044996,0.00235852,0.00296320,-0.00876066,-0.00260391,0.00449373,-0.0 0080018,0.00307318,-0.06316181,-0.01042419,0.02186161,0.00199938,0.008 64680,-0.00136981,-0.07610848,0.01712150,0.06637148,0.00121806,-0.0001 3050,0.00349263,0.20494952,-0.02891637,0.02759373,-0.02005953,-0.02154 467,-0.03225224,-0.01244538,0.00061284,0.00093874,0.00305376,-0.000020 04,-0.00056455,0.00057559,-0.00005185,0.00006478,0.00001334,0.00220834 ,0.00211100,-0.00055594,0.00337781,-0.00038668,0.00172746,0.00453885,0 .00065466,0.00181634,0.00014374,0.00000331,0.00000323,-0.00008905,0.00 009480,0.00007123,0.00063054,-0.00259274,-0.00104350,-0.00003832,0.000 52457,-0.00040606,-0.00439143,0.00368659,0.01563093,-0.00348952,-0.004 52413,0.00019037,-0.00212460,-0.00158390,-0.00234816,0.00842789,-0.035 16092,0.07460494,-0.00315668,-0.00006223,0.00075332,0.01042372,-0.3346 4863,-0.02460851,-0.00227832,-0.00683358,0.00319610,0.03702538,-0.1242 8268,-0.03218168,0.00229376,-0.00150111,-0.02921209,0.05111433,0.66653 212,-0.02739152,0.02716200,-0.02247006,-0.01320441,-0.02111905,-0.0113 3368,0.00222292,-0.00006981,0.00004254,-0.00029871,-0.00036134,0.00109 338,-0.00063703,-0.00010637,-0.00044599,-0.00056348,0.00090733,0.00122 730,0.00308001,-0.00048967,0.00177840,0.00160995,-0.00025742,0.0006945 0,0.00014121,-0.00010774,0.00025698,0.00022455,0.00003104,0.00000644,- 0.00013811,-0.00157340,-0.00000570,0.00078707,0.00074319,-0.00084272,0 .00639365,0.00913173,-0.03577292,0.00133749,0.00245968,-0.00207618,-0. 00153367,0.00045346,-0.00113405,0.01353932,0.02992408,0.01957313,0.000 98538,0.00075325,-0.00571107,0.02186146,0.02460767,-0.11761728,-0.0012 9280,-0.02370764,0.00620555,0.09617446,-0.07185466,-0.28032936,-0.0031 0534,0.00237031,0.00094669,-0.17435724,-0.10441379,0.66906253,-0.00064 588,0.00017727,0.00010015,0.00075821,-0.00080520,0.00044313,-0.0001356 2,0.00052823,0.00020310,-0.00001137,-0.00001110,0.00031208,-0.00028467 ,0.00013349,-0.00020436,0.00005402,0.00024393,-0.00044124,0.00010224,- 0.00002097,0.00007862,0.00021388,0.00008175,0.00004937,0.00002617,0.00 000526,0.00001285,-0.00009952,-0.00001113,0.00000455,0.00005084,-0.000 49088,-0.00005306,0.00003096,-0.00012645,0.00016893,0.00493449,-0.0002 8901,0.00356582,-0.00023964,-0.00099269,0.00063733,0.00030789,0.000913 43,-0.00082440,0.00499921,0.00074041,0.00215410,0.00051343,0.00020360, -0.00041520,0.00199940,0.00227838,-0.00129280,-0.00241202,-0.00033585, -0.00094262,0.00072349,-0.00434290,0.00361448,-0.00237632,0.00003719,- 0.00149512,-0.06466483,-0.05469635,0.07416482,0.05615565,-0.00012335,0 .00047978,-0.00008974,-0.00026356,-0.00029989,-0.00040930,-0.00039159, -0.00018227,0.00032964,-0.00005019,-0.00004112,-0.00019504,-0.00006781 ,0.00018913,-0.00018246,-0.00025610,0.00011059,0.00045557,0.00011127,0 .00000345,0.00003448,0.00001784,-0.00002945,-0.00004486,0.00004826,-0. 00002016,0.00000005,0.00007808,0.00002759,0.00000732,0.00016540,0.0000 9109,-0.00011545,0.00011246,-0.00003864,-0.00009074,0.00017046,-0.0010 6097,-0.00312076,0.00030904,0.00082861,-0.00030624,-0.00005023,-0.0000 9458,0.00006846,-0.00041866,-0.00621997,-0.00015454,-0.00028604,-0.000 04111,0.00156832,-0.00864673,-0.00683369,0.02370761,0.00033586,0.00083 796,-0.00056548,0.00532266,0.01142708,-0.00906084,-0.00003959,0.000217 35,0.00092581,-0.05285705,-0.15781090,0.12551714,0.05677958,0.15846012 ,-0.00054402,-0.00013378,0.00015941,0.00007359,-0.00039115,0.00029600, 0.00019145,0.00023021,-0.00009902,-0.00000627,0.00002349,0.00023474,-0 .00008175,-0.00005497,0.00009536,0.00027518,0.00100479,-0.00074594,0.0 0007797,0.00001517,0.00007351,0.00015004,0.00000279,0.00008927,-0.0000 0589,-0.00001424,0.00000560,-0.00009871,0.00001225,0.00002724,-0.00009 121,-0.00017102,0.00001596,0.00004172,-0.00075815,0.00035388,0.0011264 7,-0.00198063,-0.00354694,0.00075149,0.00084141,-0.00017301,0.00027334 ,0.00030146,-0.00028616,0.00249532,-0.00159254,0.00076262,-0.00016324, -0.00001792,0.00029563,-0.00136984,-0.00319611,0.00620564,-0.00094263, 0.00056548,-0.00021599,0.00847702,0.01843076,-0.01088711,-0.00111863,- 0.00047641,0.00033814,0.07032914,0.12563804,-0.22314842,-0.07984053,-0 .13827894,0.23014960||-0.00000693,0.00001021,-0.00000864,-0.00000538,- 0.00001062,-0.00000883,-0.00000040,0.00000118,-0.00000228,-0.00000274, -0.00000285,-0.00000222,-0.00000328,0.00000306,-0.00000145,0.00000072, -0.00000050,-0.00000285,0.00000163,-0.00000057,-0.00000041,0.00000076, 0.00000044,-0.00000074,-0.00000013,0.00000044,-0.00000116,-0.00000004, -0.00000034,-0.00000133,0.00000112,0.00000006,-0.00000142,0.00000098,- 0.00000083,-0.00000151,-0.00000273,-0.00000045,-0.00000098,0.00000098, 0.00000013,0.00000085,0.00000024,-0.00000003,0.00000040,-0.00000046,0. 00000694,0.00001447,-0.00000027,-0.00000101,-0.00000366,0.00000768,0.0 0000416,0.00000586,0.00000115,-0.00000011,-0.00000033,0.00000011,-0.00 000518,0.00001616,-0.00000066,0.00000074,-0.00000413,0.00000644,-0.000 00523,0.00000473,0.00000119,0.00000034,-0.00000055|||@ YOU KNOW YOU'RE A TEACHER WHEN YOU SAY 2, WRITE 3, AND MEAN 4. -- RONALD ANSTROM, HIGH SCHOOL TEACHER, UNDERWOOD, N.D. 1974 Job cpu time: 0 days 0 hours 16 minutes 25.0 seconds. File lengths (MBytes): RWF= 132 Int= 0 D2E= 0 Chk= 5 Scr= 1 Normal termination of Gaussian 09 at Thu Nov 03 15:14:01 2016.