Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 9204. 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 16-Nov-2016 ****************************************** %chk=H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=noeigen freq b3lyp/6-31g(d) geom=connectivity integral=grid=ultr afine pop=full gfprint ---------------------------------------------------------------------- 1/11=1,14=-1,18=20,19=15,26=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=1,74=-5,75=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1/1; 7//1,2,3,16; 1/11=1,14=-1,18=20,19=15,26=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; 1/11=1,14=-1,18=20,19=15,26=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 S 1.60178 0.08367 -0.22356 O 1.71441 1.4355 -0.75297 O 0.62949 -0.89669 -1.21873 C -0.46011 -1.98057 0.59394 C -0.6775 -1.24099 -0.7095 C -1.43518 0.05202 -0.41862 C -0.80186 0.84527 0.66435 C 0.41975 0.16639 1.23566 C 0.11928 -1.25776 1.56582 H -0.7502 -3.0181 0.6623 H -1.11492 -1.85387 -1.52288 H 0.87946 0.73173 2.06566 H 0.37369 -1.6274 2.55164 C -2.53523 0.39427 -1.08999 H -3.08635 1.30685 -0.90461 H -2.96229 -0.20439 -1.88235 C -1.22486 2.0393 1.08739 H -0.7378 2.60365 1.86884 H -2.08144 2.54941 0.67021 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4562 estimate D2E/DX2 ! ! R2 R(1,3) 1.702 estimate D2E/DX2 ! ! R3 R(1,8) 1.8797 estimate D2E/DX2 ! ! R4 R(3,5) 1.4443 estimate D2E/DX2 ! ! R5 R(4,5) 1.5143 estimate D2E/DX2 ! ! R6 R(4,9) 1.3426 estimate D2E/DX2 ! ! R7 R(4,10) 1.0795 estimate D2E/DX2 ! ! R8 R(5,6) 1.5266 estimate D2E/DX2 ! ! R9 R(5,11) 1.1084 estimate D2E/DX2 ! ! R10 R(6,7) 1.4843 estimate D2E/DX2 ! ! R11 R(6,14) 1.3334 estimate D2E/DX2 ! ! R12 R(7,8) 1.5098 estimate D2E/DX2 ! ! R13 R(7,17) 1.3355 estimate D2E/DX2 ! ! R14 R(8,9) 1.4925 estimate D2E/DX2 ! ! R15 R(8,12) 1.1045 estimate D2E/DX2 ! ! R16 R(9,13) 1.0831 estimate D2E/DX2 ! ! R17 R(14,15) 1.0821 estimate D2E/DX2 ! ! R18 R(14,16) 1.081 estimate D2E/DX2 ! ! R19 R(17,18) 1.08 estimate D2E/DX2 ! ! R20 R(17,19) 1.0807 estimate D2E/DX2 ! ! A1 A(2,1,3) 111.49 estimate D2E/DX2 ! ! A2 A(2,1,8) 106.8589 estimate D2E/DX2 ! ! A3 A(3,1,8) 96.8936 estimate D2E/DX2 ! ! A4 A(1,3,5) 116.6214 estimate D2E/DX2 ! ! A5 A(5,4,9) 114.9651 estimate D2E/DX2 ! ! A6 A(5,4,10) 119.0345 estimate D2E/DX2 ! ! A7 A(9,4,10) 125.9837 estimate D2E/DX2 ! ! A8 A(3,5,4) 106.8575 estimate D2E/DX2 ! ! A9 A(3,5,6) 108.3245 estimate D2E/DX2 ! ! A10 A(3,5,11) 103.3082 estimate D2E/DX2 ! ! A11 A(4,5,6) 108.7176 estimate D2E/DX2 ! ! A12 A(4,5,11) 114.7233 estimate D2E/DX2 ! ! A13 A(6,5,11) 114.3486 estimate D2E/DX2 ! ! A14 A(5,6,7) 112.3275 estimate D2E/DX2 ! ! A15 A(5,6,14) 122.0673 estimate D2E/DX2 ! ! A16 A(7,6,14) 125.6046 estimate D2E/DX2 ! ! A17 A(6,7,8) 112.3958 estimate D2E/DX2 ! ! A18 A(6,7,17) 125.0146 estimate D2E/DX2 ! ! A19 A(8,7,17) 122.5755 estimate D2E/DX2 ! ! A20 A(1,8,7) 103.5818 estimate D2E/DX2 ! ! A21 A(1,8,9) 104.8524 estimate D2E/DX2 ! ! A22 A(1,8,12) 110.1312 estimate D2E/DX2 ! ! A23 A(7,8,9) 110.4797 estimate D2E/DX2 ! ! A24 A(7,8,12) 113.0154 estimate D2E/DX2 ! ! A25 A(9,8,12) 113.9525 estimate D2E/DX2 ! ! A26 A(4,9,8) 116.1326 estimate D2E/DX2 ! ! A27 A(4,9,13) 125.2014 estimate D2E/DX2 ! ! A28 A(8,9,13) 118.6654 estimate D2E/DX2 ! ! A29 A(6,14,15) 123.3936 estimate D2E/DX2 ! ! A30 A(6,14,16) 123.5607 estimate D2E/DX2 ! ! A31 A(15,14,16) 113.0423 estimate D2E/DX2 ! ! A32 A(7,17,18) 123.611 estimate D2E/DX2 ! ! A33 A(7,17,19) 123.419 estimate D2E/DX2 ! ! A34 A(18,17,19) 112.9617 estimate D2E/DX2 ! ! D1 D(2,1,3,5) -107.8747 estimate D2E/DX2 ! ! D2 D(8,1,3,5) 3.3209 estimate D2E/DX2 ! ! D3 D(2,1,8,7) 52.9479 estimate D2E/DX2 ! ! D4 D(2,1,8,9) 168.8256 estimate D2E/DX2 ! ! D5 D(2,1,8,12) -68.1805 estimate D2E/DX2 ! ! D6 D(3,1,8,7) -62.0266 estimate D2E/DX2 ! ! D7 D(3,1,8,9) 53.851 estimate D2E/DX2 ! ! D8 D(3,1,8,12) 176.845 estimate D2E/DX2 ! ! D9 D(1,3,5,4) -59.525 estimate D2E/DX2 ! ! D10 D(1,3,5,6) 57.4486 estimate D2E/DX2 ! ! D11 D(1,3,5,11) 179.0924 estimate D2E/DX2 ! ! D12 D(9,4,5,3) 63.582 estimate D2E/DX2 ! ! D13 D(9,4,5,6) -53.1313 estimate D2E/DX2 ! ! D14 D(9,4,5,11) 177.4304 estimate D2E/DX2 ! ! D15 D(10,4,5,3) -115.0184 estimate D2E/DX2 ! ! D16 D(10,4,5,6) 128.2682 estimate D2E/DX2 ! ! D17 D(10,4,5,11) -1.1701 estimate D2E/DX2 ! ! D18 D(5,4,9,8) 1.9082 estimate D2E/DX2 ! ! D19 D(5,4,9,13) -178.3751 estimate D2E/DX2 ! ! D20 D(10,4,9,8) -179.6041 estimate D2E/DX2 ! ! D21 D(10,4,9,13) 0.1127 estimate D2E/DX2 ! ! D22 D(3,5,6,7) -64.6694 estimate D2E/DX2 ! ! D23 D(3,5,6,14) 115.0745 estimate D2E/DX2 ! ! D24 D(4,5,6,7) 51.1005 estimate D2E/DX2 ! ! D25 D(4,5,6,14) -129.1556 estimate D2E/DX2 ! ! D26 D(11,5,6,7) -179.2541 estimate D2E/DX2 ! ! D27 D(11,5,6,14) 0.4899 estimate D2E/DX2 ! ! D28 D(5,6,7,8) -1.265 estimate D2E/DX2 ! ! D29 D(5,6,7,17) 177.3927 estimate D2E/DX2 ! ! D30 D(14,6,7,8) 179.0019 estimate D2E/DX2 ! ! D31 D(14,6,7,17) -2.3404 estimate D2E/DX2 ! ! D32 D(5,6,14,15) -179.7305 estimate D2E/DX2 ! ! D33 D(5,6,14,16) -0.4525 estimate D2E/DX2 ! ! D34 D(7,6,14,15) -0.0218 estimate D2E/DX2 ! ! D35 D(7,6,14,16) 179.2562 estimate D2E/DX2 ! ! D36 D(6,7,8,1) 62.7803 estimate D2E/DX2 ! ! D37 D(6,7,8,9) -49.0418 estimate D2E/DX2 ! ! D38 D(6,7,8,12) -178.0551 estimate D2E/DX2 ! ! D39 D(17,7,8,1) -115.9152 estimate D2E/DX2 ! ! D40 D(17,7,8,9) 132.2628 estimate D2E/DX2 ! ! D41 D(17,7,8,12) 3.2494 estimate D2E/DX2 ! ! D42 D(6,7,17,18) -179.0988 estimate D2E/DX2 ! ! D43 D(6,7,17,19) -0.2206 estimate D2E/DX2 ! ! D44 D(8,7,17,18) -0.5715 estimate D2E/DX2 ! ! D45 D(8,7,17,19) 178.3066 estimate D2E/DX2 ! ! D46 D(1,8,9,4) -60.5125 estimate D2E/DX2 ! ! D47 D(1,8,9,13) 119.7513 estimate D2E/DX2 ! ! D48 D(7,8,9,4) 50.4886 estimate D2E/DX2 ! ! D49 D(7,8,9,13) -129.2476 estimate D2E/DX2 ! ! D50 D(12,8,9,4) 178.9949 estimate D2E/DX2 ! ! D51 D(12,8,9,13) -0.7413 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 114 maximum allowed number of steps= 114. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.601776 0.083665 -0.223559 2 8 0 1.714407 1.435501 -0.752971 3 8 0 0.629492 -0.896689 -1.218730 4 6 0 -0.460110 -1.980572 0.593942 5 6 0 -0.677498 -1.240985 -0.709495 6 6 0 -1.435176 0.052019 -0.418621 7 6 0 -0.801861 0.845271 0.664345 8 6 0 0.419745 0.166389 1.235655 9 6 0 0.119283 -1.257762 1.565815 10 1 0 -0.750200 -3.018096 0.662297 11 1 0 -1.114917 -1.853870 -1.522882 12 1 0 0.879458 0.731725 2.065664 13 1 0 0.373686 -1.627395 2.551635 14 6 0 -2.535233 0.394265 -1.089985 15 1 0 -3.086351 1.306846 -0.904606 16 1 0 -2.962285 -0.204390 -1.882354 17 6 0 -1.224864 2.039299 1.087394 18 1 0 -0.737797 2.603654 1.868837 19 1 0 -2.081436 2.549408 0.670205 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.456167 0.000000 3 O 1.701997 2.614016 0.000000 4 C 3.029976 4.267582 2.376513 0.000000 5 C 2.680657 3.589802 1.444328 1.514330 0.000000 6 C 3.043374 3.456253 2.408957 2.471328 1.526612 7 C 2.673179 2.947670 2.937544 2.847304 2.501073 8 C 1.879720 2.690990 2.682934 2.407360 2.639745 9 C 2.683108 3.895492 2.853836 1.342642 2.410846 10 H 3.992174 5.283162 3.153122 1.079482 2.246157 11 H 3.580880 4.406563 2.012875 2.219407 1.108405 12 H 2.486416 3.022771 3.674433 3.364069 3.743956 13 H 3.483911 4.700988 3.849028 2.156968 3.448082 14 C 4.238161 4.388302 3.420325 3.575136 2.503996 15 H 4.892702 4.804875 4.331481 4.466532 3.511707 16 H 4.864692 5.082932 3.717598 3.943063 2.769545 17 C 3.678722 3.520061 4.168557 4.121615 3.780037 18 H 4.025179 3.775151 4.863636 4.766298 4.629544 19 H 4.521587 4.204122 4.774180 4.811988 4.271030 6 7 8 9 10 6 C 0.000000 7 C 1.484302 0.000000 8 C 2.488060 1.509833 0.000000 9 C 2.840749 2.466557 1.492478 0.000000 10 H 3.326136 3.863713 3.440706 2.161278 0.000000 11 H 2.225842 3.488170 3.747821 3.379148 2.502688 12 H 3.462832 2.191671 1.104471 2.187641 4.322775 13 H 3.861973 3.325335 2.225216 1.083139 2.601301 14 C 1.333412 2.507122 3.767283 4.102307 4.230962 15 H 2.130059 2.809547 4.263105 4.791272 5.159255 16 H 2.130803 3.500699 4.614931 4.742945 4.391527 17 C 2.502318 1.335517 2.496900 3.592524 5.097378 18 H 3.497091 2.132326 2.771477 3.966981 5.749780 19 H 2.800026 2.131063 3.500631 4.487742 5.724452 11 12 13 14 15 11 H 0.000000 12 H 4.851855 0.000000 13 H 4.343837 2.461183 0.000000 14 C 2.694218 4.661772 5.080385 0.000000 15 H 3.776102 4.988077 5.703265 1.082082 0.000000 16 H 2.502553 5.587678 5.728342 1.081023 1.804222 17 C 4.688539 2.663632 4.259578 3.027240 2.823063 18 H 5.613867 2.481607 4.427571 4.106921 3.858679 19 H 5.013247 3.744085 5.197411 2.819369 2.243623 16 17 18 19 16 H 0.000000 17 C 4.107575 0.000000 18 H 5.186993 1.079993 0.000000 19 H 3.856793 1.080728 1.801396 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.629466 0.236556 -0.305405 2 8 0 1.572864 1.508371 -1.012305 3 8 0 0.763114 -0.974271 -1.130103 4 6 0 -0.160374 -1.921035 0.844390 5 6 0 -0.485375 -1.394220 -0.537650 6 6 0 -1.385369 -0.169291 -0.395868 7 6 0 -0.832014 0.830380 0.551553 8 6 0 0.470592 0.379566 1.167655 9 6 0 0.345893 -1.011888 1.692819 10 1 0 -0.324799 -2.966170 1.058725 11 1 0 -0.860994 -2.157483 -1.248214 12 1 0 0.874237 1.100836 1.900250 13 1 0 0.658653 -1.213279 2.710077 14 6 0 -2.529243 -0.049360 -1.070523 15 1 0 -3.181023 0.810607 -0.989654 16 1 0 -2.895895 -0.794589 -1.762483 17 6 0 -1.385820 2.014148 0.826502 18 1 0 -0.955716 2.731028 1.510225 19 1 0 -2.303490 2.361557 0.373553 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3576337 1.1251426 0.9672241 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom S1 Shell 1 S 6 bf 1 - 1 3.079244593196 0.447026430371 -0.577132230965 0.2191710000D+05 0.1869240849D-02 0.3301490000D+04 0.1423030646D-01 0.7541460000D+03 0.6969623166D-01 0.2127110000D+03 0.2384871083D+00 0.6798960000D+02 0.4833072195D+00 0.2305150000D+02 0.3380741536D+00 Atom S1 Shell 2 SP 6 bf 2 - 5 3.079244593196 0.447026430371 -0.577132230965 0.4237350000D+03 -0.2376770499D-02 0.4061009982D-02 0.1007100000D+03 -0.3169300665D-01 0.3068129986D-01 0.3215990000D+02 -0.1133170238D+00 0.1304519994D+00 0.1180790000D+02 0.5609001177D-01 0.3272049985D+00 0.4631100000D+01 0.5922551243D+00 0.4528509980D+00 0.1870250000D+01 0.4550060955D+00 0.2560419989D+00 Atom S1 Shell 3 SP 3 bf 6 - 9 3.079244593196 0.447026430371 -0.577132230965 0.2615840000D+01 -0.2503731142D+00 -0.1451048955D-01 0.9221670000D+00 0.6695676310D-01 0.3102627765D+00 0.3412870000D+00 0.1054506269D+01 0.7544824565D+00 Atom S1 Shell 4 SP 1 bf 10 - 13 3.079244593196 0.447026430371 -0.577132230965 0.1171670000D+00 0.1000000000D+01 0.1000000000D+01 Atom S1 Shell 5 D 1 bf 14 - 19 3.079244593196 0.447026430371 -0.577132230965 0.6500000000D+00 0.1000000000D+01 Atom O2 Shell 6 S 6 bf 20 - 20 2.972281627530 2.850407615667 -1.912979232982 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 O2 Shell 7 SP 3 bf 21 - 24 2.972281627530 2.850407615667 -1.912979232982 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 O2 Shell 8 SP 1 bf 25 - 28 2.972281627530 2.850407615667 -1.912979232982 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O2 Shell 9 D 1 bf 29 - 34 2.972281627530 2.850407615667 -1.912979232982 0.8000000000D+00 0.1000000000D+01 Atom O3 Shell 10 S 6 bf 35 - 35 1.442076590933 -1.841105870761 -2.135585302198 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 O3 Shell 11 SP 3 bf 36 - 39 1.442076590933 -1.841105870761 -2.135585302198 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 O3 Shell 12 SP 1 bf 40 - 43 1.442076590933 -1.841105870761 -2.135585302198 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O3 Shell 13 D 1 bf 44 - 49 1.442076590933 -1.841105870761 -2.135585302198 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 14 S 6 bf 50 - 50 -0.303062344456 -3.630230436678 1.595665938514 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 15 SP 3 bf 51 - 54 -0.303062344456 -3.630230436678 1.595665938514 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 16 SP 1 bf 55 - 58 -0.303062344456 -3.630230436678 1.595665938514 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 17 D 1 bf 59 - 64 -0.303062344456 -3.630230436678 1.595665938514 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 18 S 6 bf 65 - 65 -0.917225991423 -2.634693816039 -1.016010935056 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 19 SP 3 bf 66 - 69 -0.917225991423 -2.634693816039 -1.016010935056 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 20 SP 1 bf 70 - 73 -0.917225991423 -2.634693816039 -1.016010935056 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 21 D 1 bf 74 - 79 -0.917225991423 -2.634693816039 -1.016010935056 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 22 S 6 bf 80 - 80 -2.617968719229 -0.319913307466 -0.748082766027 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 23 SP 3 bf 81 - 84 -2.617968719229 -0.319913307466 -0.748082766027 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 24 SP 1 bf 85 - 88 -2.617968719229 -0.319913307466 -0.748082766027 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 25 D 1 bf 89 - 94 -2.617968719229 -0.319913307466 -0.748082766027 0.8000000000D+00 0.1000000000D+01 Atom C7 Shell 26 S 6 bf 95 - 95 -1.572278300594 1.569190631935 1.042284925912 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 C7 Shell 27 SP 3 bf 96 - 99 -1.572278300594 1.569190631935 1.042284925912 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 C7 Shell 28 SP 1 bf 100 - 103 -1.572278300594 1.569190631935 1.042284925912 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 29 D 1 bf 104 - 109 -1.572278300594 1.569190631935 1.042284925912 0.8000000000D+00 0.1000000000D+01 Atom C8 Shell 30 S 6 bf 110 - 110 0.889290451294 0.717274930311 2.206547795059 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 C8 Shell 31 SP 3 bf 111 - 114 0.889290451294 0.717274930311 2.206547795059 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 C8 Shell 32 SP 1 bf 115 - 118 0.889290451294 0.717274930311 2.206547795059 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C8 Shell 33 D 1 bf 119 - 124 0.889290451294 0.717274930311 2.206547795059 0.8000000000D+00 0.1000000000D+01 Atom C9 Shell 34 S 6 bf 125 - 125 0.653643731811 -1.912190361897 3.198964532565 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 C9 Shell 35 SP 3 bf 126 - 129 0.653643731811 -1.912190361897 3.198964532565 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 C9 Shell 36 SP 1 bf 130 - 133 0.653643731811 -1.912190361897 3.198964532565 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 37 D 1 bf 134 - 139 0.653643731811 -1.912190361897 3.198964532565 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 38 S 3 bf 140 - 140 -0.613780473531 -5.605248029094 2.000699992057 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 39 S 1 bf 141 - 141 -0.613780473531 -5.605248029094 2.000699992057 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 40 S 3 bf 142 - 142 -1.627042648609 -4.077051794910 -2.358783329061 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 41 S 1 bf 143 - 143 -1.627042648609 -4.077051794910 -2.358783329061 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 42 S 3 bf 144 - 144 1.652068149117 2.080277748103 3.590952935442 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 43 S 1 bf 145 - 145 1.652068149117 2.080277748103 3.590952935442 0.1612777588D+00 0.1000000000D+01 Atom H13 Shell 44 S 3 bf 146 - 146 1.244673239833 -2.292764377200 5.121303460332 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 45 S 1 bf 147 - 147 1.244673239833 -2.292764377200 5.121303460332 0.1612777588D+00 0.1000000000D+01 Atom C14 Shell 46 S 6 bf 148 - 148 -4.779575683887 -0.093277628573 -2.022994423953 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 C14 Shell 47 SP 3 bf 149 - 152 -4.779575683887 -0.093277628573 -2.022994423953 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 C14 Shell 48 SP 1 bf 153 - 156 -4.779575683887 -0.093277628573 -2.022994423953 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 49 D 1 bf 157 - 162 -4.779575683887 -0.093277628573 -2.022994423953 0.8000000000D+00 0.1000000000D+01 Atom H15 Shell 50 S 3 bf 163 - 163 -6.011261553367 1.531824754361 -1.870174892581 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H15 Shell 51 S 1 bf 164 - 164 -6.011261553367 1.531824754361 -1.870174892581 0.1612777588D+00 0.1000000000D+01 Atom H16 Shell 52 S 3 bf 165 - 165 -5.472448280218 -1.501556532061 -3.330610449106 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 53 S 1 bf 166 - 166 -5.472448280218 -1.501556532061 -3.330610449106 0.1612777588D+00 0.1000000000D+01 Atom C17 Shell 54 S 6 bf 167 - 167 -2.618820183091 3.806188343977 1.561861634873 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 C17 Shell 55 SP 3 bf 168 - 171 -2.618820183091 3.806188343977 1.561861634873 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 C17 Shell 56 SP 1 bf 172 - 175 -2.618820183091 3.806188343977 1.561861634873 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 57 D 1 bf 176 - 181 -2.618820183091 3.806188343977 1.561861634873 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 58 S 3 bf 182 - 182 -1.806041110261 5.160894518996 2.853912035468 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 59 S 1 bf 183 - 183 -1.806041110261 5.160894518996 2.853912035468 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 60 S 3 bf 184 - 184 -4.352964324355 4.462696733189 0.705912013014 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 61 S 1 bf 185 - 185 -4.352964324355 4.462696733189 0.705912013014 0.1612777588D+00 0.1000000000D+01 There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 737.6394649542 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 7.83D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 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. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.167318474 A.U. after 16 cycles NFock= 16 Conv=0.50D-08 -V/T= 2.0063 ********************************************************************** 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -89.01792 -19.17586 -19.12845 -10.26457 -10.23262 Alpha occ. eigenvalues -- -10.21702 -10.21394 -10.21286 -10.20849 -10.19359 Alpha occ. eigenvalues -- -10.19245 -8.06032 -6.02563 -6.02305 -6.01715 Alpha occ. eigenvalues -- -1.07452 -1.01307 -0.86965 -0.80054 -0.78740 Alpha occ. eigenvalues -- -0.72399 -0.67928 -0.64087 -0.61973 -0.56663 Alpha occ. eigenvalues -- -0.52901 -0.51213 -0.48955 -0.48692 -0.45918 Alpha occ. eigenvalues -- -0.44193 -0.43681 -0.41908 -0.41337 -0.40018 Alpha occ. eigenvalues -- -0.38345 -0.36507 -0.35676 -0.32666 -0.29967 Alpha occ. eigenvalues -- -0.29317 -0.27274 -0.24799 -0.22484 Alpha virt. eigenvalues -- -0.04395 -0.02378 0.01690 0.04528 0.07540 Alpha virt. eigenvalues -- 0.08736 0.10512 0.10805 0.12126 0.13562 Alpha virt. eigenvalues -- 0.15640 0.16050 0.18132 0.19054 0.19413 Alpha virt. eigenvalues -- 0.22285 0.25014 0.25506 0.30293 0.32227 Alpha virt. eigenvalues -- 0.33509 0.35136 0.37053 0.38684 0.41414 Alpha virt. eigenvalues -- 0.42041 0.44060 0.47359 0.48760 0.51433 Alpha virt. eigenvalues -- 0.53024 0.53715 0.55569 0.57355 0.58512 Alpha virt. eigenvalues -- 0.59490 0.62805 0.63562 0.63703 0.65938 Alpha virt. eigenvalues -- 0.66786 0.68265 0.68560 0.74035 0.76531 Alpha virt. eigenvalues -- 0.78295 0.79520 0.81340 0.81505 0.82843 Alpha virt. eigenvalues -- 0.83662 0.84776 0.85832 0.86932 0.89104 Alpha virt. eigenvalues -- 0.90985 0.93338 0.95292 0.96259 0.97676 Alpha virt. eigenvalues -- 0.99295 1.00174 1.03157 1.06058 1.08543 Alpha virt. eigenvalues -- 1.08849 1.11646 1.14769 1.16319 1.18277 Alpha virt. eigenvalues -- 1.20101 1.21032 1.22829 1.29313 1.33014 Alpha virt. eigenvalues -- 1.34798 1.39651 1.41642 1.45441 1.52249 Alpha virt. eigenvalues -- 1.57963 1.59374 1.63064 1.65935 1.69269 Alpha virt. eigenvalues -- 1.71140 1.74271 1.75543 1.76596 1.81963 Alpha virt. eigenvalues -- 1.83516 1.84541 1.85160 1.87043 1.90939 Alpha virt. eigenvalues -- 1.92180 1.93500 1.97017 1.97744 2.02996 Alpha virt. eigenvalues -- 2.03672 2.05935 2.08812 2.12323 2.16053 Alpha virt. eigenvalues -- 2.17233 2.19161 2.21201 2.22423 2.26487 Alpha virt. eigenvalues -- 2.30896 2.33967 2.38322 2.40618 2.41981 Alpha virt. eigenvalues -- 2.48034 2.48600 2.51191 2.55784 2.57155 Alpha virt. eigenvalues -- 2.65643 2.68109 2.75085 2.75670 2.82141 Alpha virt. eigenvalues -- 2.82821 2.87488 2.91439 3.07175 3.15183 Alpha virt. eigenvalues -- 3.77330 4.00461 4.07277 4.13037 4.15539 Alpha virt. eigenvalues -- 4.20467 4.29340 4.37210 4.44900 4.62508 Alpha virt. eigenvalues -- 4.85853 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -89.01792 -19.17586 -19.12845 -10.26457 -10.23262 1 1 S 1S 0.99612 0.00001 0.00002 0.00000 0.00000 2 2S 0.01485 0.00007 -0.00002 -0.00010 -0.00001 3 2PX -0.00011 0.00003 -0.00001 -0.00007 0.00011 4 2PY 0.00002 0.00006 0.00001 -0.00002 0.00000 5 2PZ -0.00002 0.00002 -0.00001 0.00005 -0.00008 6 3S -0.02420 0.00003 0.00090 -0.00006 -0.00006 7 3PX 0.00019 -0.00004 0.00002 0.00061 -0.00089 8 3PY 0.00006 -0.00017 0.00015 0.00020 0.00001 9 3PZ -0.00007 0.00006 -0.00005 -0.00037 0.00072 10 4S 0.00273 -0.00308 -0.00382 -0.00092 0.00503 11 4PX -0.00012 0.00134 0.00109 0.00042 -0.00228 12 4PY -0.00010 0.00046 -0.00155 0.00010 0.00027 13 4PZ 0.00012 0.00058 0.00074 0.00003 0.00082 14 5XX 0.00848 0.00028 -0.00012 -0.00034 0.00026 15 5YY 0.00854 0.00024 -0.00011 -0.00026 0.00013 16 5ZZ 0.00850 0.00022 -0.00014 -0.00037 0.00024 17 5XY -0.00002 0.00009 -0.00002 -0.00003 0.00009 18 5XZ 0.00003 0.00006 0.00001 0.00014 -0.00025 19 5YZ -0.00003 0.00016 -0.00005 -0.00004 -0.00003 20 2 O 1S 0.00003 -0.00005 0.99275 0.00000 0.00007 21 2S 0.00007 -0.00022 0.02574 -0.00003 0.00032 22 2PX -0.00001 0.00003 0.00003 -0.00001 -0.00005 23 2PY 0.00010 0.00000 -0.00085 -0.00003 0.00000 24 2PZ -0.00005 0.00002 0.00048 0.00001 -0.00004 25 3S 0.00000 0.00131 0.01243 0.00014 -0.00184 26 3PX 0.00003 -0.00022 -0.00019 -0.00006 0.00040 27 3PY -0.00016 -0.00039 -0.00059 0.00000 0.00036 28 3PZ 0.00008 0.00004 0.00031 -0.00001 -0.00016 29 4XX 0.00011 -0.00013 -0.00809 0.00001 0.00018 30 4YY -0.00010 -0.00010 -0.00804 0.00002 0.00015 31 4ZZ 0.00004 -0.00014 -0.00809 0.00001 0.00023 32 4XY 0.00001 0.00001 0.00003 0.00001 -0.00007 33 4XZ -0.00001 -0.00004 -0.00001 0.00000 -0.00006 34 4YZ 0.00013 -0.00002 -0.00003 0.00001 -0.00001 35 3 O 1S 0.00000 0.99269 -0.00005 -0.00029 0.00013 36 2S 0.00006 0.02564 -0.00021 -0.00112 0.00064 37 2PX 0.00003 -0.00037 0.00000 0.00005 0.00004 38 2PY 0.00002 0.00027 -0.00005 -0.00002 0.00006 39 2PZ 0.00000 0.00065 0.00002 -0.00005 -0.00004 40 3S 0.00006 0.01324 0.00116 0.00867 -0.00461 41 3PX 0.00001 -0.00010 0.00005 -0.00176 0.00076 42 3PY 0.00014 0.00034 0.00047 0.00017 -0.00055 43 3PZ 0.00014 0.00035 0.00004 0.00167 -0.00096 44 4XX 0.00001 -0.00835 -0.00013 -0.00101 0.00028 45 4YY -0.00005 -0.00823 -0.00011 -0.00071 0.00031 46 4ZZ -0.00001 -0.00829 -0.00013 -0.00056 0.00033 47 4XY -0.00004 -0.00002 0.00002 -0.00022 0.00002 48 4XZ -0.00006 0.00005 -0.00001 0.00010 0.00007 49 4YZ -0.00005 0.00001 0.00003 0.00014 0.00003 50 4 C 1S 0.00001 0.00002 0.00001 0.00207 0.00013 51 2S 0.00006 0.00017 0.00002 -0.00048 0.00021 52 2PX 0.00000 -0.00001 0.00002 0.00001 -0.00002 53 2PY 0.00000 0.00003 0.00002 0.00014 -0.00013 54 2PZ 0.00000 -0.00003 0.00000 -0.00015 0.00013 55 3S -0.00024 -0.00053 0.00027 0.01278 -0.00690 56 3PX -0.00006 0.00006 0.00006 0.00033 -0.00043 57 3PY -0.00009 -0.00039 0.00017 0.00613 -0.00416 58 3PZ 0.00007 0.00016 0.00005 -0.00393 0.00166 59 4XX 0.00002 0.00000 0.00003 -0.00019 0.00001 60 4YY 0.00000 0.00003 0.00002 0.00007 0.00000 61 4ZZ 0.00001 -0.00001 0.00001 -0.00019 -0.00007 62 4XY -0.00002 -0.00003 0.00000 0.00015 -0.00002 63 4XZ 0.00001 0.00002 0.00000 -0.00003 0.00001 64 4YZ 0.00001 0.00005 -0.00001 -0.00006 0.00008 65 5 C 1S -0.00001 0.00001 0.00000 0.99353 0.00007 66 2S -0.00001 0.00014 0.00002 0.05165 -0.00171 67 2PX -0.00005 0.00029 0.00000 0.00086 -0.00015 68 2PY -0.00002 0.00009 -0.00002 0.00069 -0.00024 69 2PZ 0.00001 -0.00014 0.00000 0.00034 -0.00027 70 3S 0.00017 -0.00125 -0.00035 -0.03457 0.01230 71 3PX -0.00004 -0.00094 0.00005 -0.00241 0.00134 72 3PY -0.00004 -0.00016 -0.00025 -0.00757 0.00484 73 3PZ -0.00003 0.00074 -0.00002 -0.00643 0.00405 74 4XX -0.00004 0.00031 0.00002 -0.00836 -0.00031 75 4YY -0.00003 0.00007 -0.00003 -0.00831 -0.00032 76 4ZZ 0.00000 0.00014 -0.00001 -0.00830 -0.00031 77 4XY -0.00003 0.00005 -0.00001 0.00022 -0.00005 78 4XZ -0.00001 -0.00015 -0.00001 0.00008 -0.00002 79 4YZ 0.00001 -0.00005 0.00001 0.00018 -0.00003 80 6 C 1S 0.00001 0.00001 -0.00003 0.00211 0.00007 81 2S 0.00007 0.00011 -0.00010 -0.00039 0.00019 82 2PX 0.00000 0.00001 -0.00004 -0.00004 -0.00003 83 2PY 0.00000 -0.00006 -0.00002 0.00009 0.00003 84 2PZ -0.00001 -0.00001 0.00001 0.00007 -0.00006 85 3S -0.00037 -0.00034 0.00050 0.00928 -0.00465 86 3PX -0.00016 -0.00007 0.00043 0.00851 -0.00472 87 3PY -0.00002 0.00031 -0.00005 -0.00625 0.00350 88 3PZ 0.00001 -0.00005 -0.00010 0.00113 -0.00048 89 4XX -0.00002 -0.00006 -0.00003 0.00010 -0.00013 90 4YY 0.00002 -0.00002 -0.00004 -0.00021 0.00002 91 4ZZ 0.00002 0.00003 -0.00006 -0.00013 0.00004 92 4XY 0.00000 0.00002 0.00001 -0.00001 0.00009 93 4XZ -0.00001 0.00002 -0.00001 0.00010 0.00001 94 4YZ 0.00000 0.00001 0.00001 0.00001 0.00002 95 7 C 1S 0.00000 -0.00004 0.00000 -0.00003 0.00816 96 2S 0.00002 -0.00015 -0.00004 0.00004 0.00025 97 2PX -0.00004 -0.00003 0.00003 0.00000 -0.00013 98 2PY 0.00002 0.00001 0.00006 0.00009 -0.00004 99 2PZ 0.00001 0.00002 -0.00002 0.00007 -0.00017 100 3S -0.00029 0.00055 -0.00046 -0.00493 0.00703 101 3PX -0.00015 0.00033 -0.00025 -0.00468 0.00656 102 3PY -0.00012 -0.00019 -0.00012 0.00365 -0.00412 103 3PZ -0.00019 -0.00017 -0.00012 -0.00092 0.00222 104 4XX -0.00003 -0.00004 0.00001 -0.00007 -0.00024 105 4YY -0.00004 -0.00007 -0.00003 -0.00009 -0.00002 106 4ZZ 0.00000 -0.00005 0.00003 -0.00005 -0.00014 107 4XY 0.00001 -0.00002 0.00003 0.00009 -0.00006 108 4XZ 0.00000 -0.00003 -0.00003 0.00004 -0.00012 109 4YZ 0.00001 0.00001 -0.00001 0.00003 0.00007 110 8 C 1S -0.00004 -0.00002 -0.00004 -0.00075 0.99325 111 2S -0.00008 -0.00010 -0.00024 -0.00168 0.05175 112 2PX 0.00009 0.00006 0.00000 -0.00005 0.00005 113 2PY 0.00001 0.00001 0.00001 0.00027 -0.00046 114 2PZ -0.00006 -0.00002 0.00002 0.00044 -0.00066 115 3S 0.00076 0.00039 0.00176 0.01176 -0.02958 116 3PX -0.00016 0.00020 0.00006 -0.00371 0.00421 117 3PY -0.00012 0.00004 -0.00014 -0.00404 0.00415 118 3PZ -0.00010 -0.00041 -0.00076 -0.00394 0.00457 119 4XX -0.00005 -0.00002 -0.00004 -0.00036 -0.00875 120 4YY -0.00004 -0.00004 -0.00003 -0.00027 -0.00860 121 4ZZ -0.00005 0.00002 -0.00001 -0.00045 -0.00855 122 4XY -0.00002 -0.00001 -0.00001 0.00001 0.00005 123 4XZ 0.00000 -0.00004 -0.00002 0.00014 0.00001 124 4YZ -0.00001 -0.00001 0.00000 -0.00001 0.00014 125 9 C 1S 0.00000 -0.00002 0.00002 0.00004 0.00744 126 2S 0.00003 -0.00009 0.00010 0.00011 0.00002 127 2PX 0.00000 0.00000 0.00002 0.00003 -0.00001 128 2PY -0.00004 -0.00002 -0.00001 -0.00002 -0.00007 129 2PZ 0.00003 -0.00001 -0.00003 0.00016 -0.00008 130 3S -0.00031 0.00064 -0.00076 -0.00783 0.01031 131 3PX -0.00007 -0.00003 -0.00002 0.00130 -0.00110 132 3PY -0.00013 0.00016 -0.00009 -0.00162 0.00320 133 3PZ 0.00001 -0.00028 0.00053 0.00434 -0.00448 134 4XX -0.00001 -0.00004 0.00005 0.00000 -0.00021 135 4YY -0.00001 -0.00003 0.00003 -0.00006 -0.00037 136 4ZZ -0.00001 0.00001 0.00002 0.00004 -0.00003 137 4XY 0.00000 0.00000 -0.00002 0.00002 -0.00004 138 4XZ -0.00001 -0.00002 0.00000 0.00001 0.00005 139 4YZ 0.00001 -0.00001 0.00002 0.00003 0.00006 140 10 H 1S 0.00001 -0.00002 0.00001 -0.00002 -0.00013 141 2S -0.00003 -0.00011 0.00003 0.00155 -0.00098 142 11 H 1S -0.00002 0.00011 0.00000 -0.00016 0.00005 143 2S -0.00004 0.00006 -0.00002 0.00056 0.00144 144 12 H 1S -0.00002 0.00002 -0.00005 0.00011 -0.00012 145 2S -0.00012 -0.00002 0.00021 0.00171 0.00085 146 13 H 1S 0.00003 0.00000 0.00000 -0.00016 -0.00002 147 2S 0.00003 0.00005 -0.00014 -0.00097 0.00109 148 14 C 1S 0.00000 -0.00001 0.00000 -0.00003 -0.00005 149 2S 0.00000 -0.00002 0.00001 -0.00015 -0.00013 150 2PX 0.00001 -0.00001 0.00000 -0.00003 -0.00004 151 2PY 0.00000 0.00001 0.00000 0.00007 -0.00001 152 2PZ 0.00001 0.00002 0.00001 0.00001 -0.00003 153 3S 0.00002 0.00007 0.00007 0.00390 -0.00151 154 3PX 0.00002 0.00008 -0.00002 0.00094 -0.00006 155 3PY 0.00000 -0.00017 -0.00003 0.00131 -0.00083 156 3PZ -0.00003 -0.00006 0.00007 0.00163 -0.00071 157 4XX 0.00001 -0.00001 0.00000 -0.00010 0.00003 158 4YY 0.00000 -0.00002 0.00000 -0.00001 -0.00004 159 4ZZ 0.00000 0.00001 0.00001 0.00001 -0.00008 160 4XY 0.00000 -0.00001 0.00000 0.00005 -0.00005 161 4XZ 0.00000 0.00001 0.00001 0.00006 0.00002 162 4YZ 0.00000 0.00001 0.00000 0.00009 -0.00001 163 15 H 1S 0.00000 0.00001 0.00000 -0.00016 0.00006 164 2S -0.00001 0.00009 0.00000 -0.00052 0.00043 165 16 H 1S 0.00000 -0.00003 0.00000 0.00003 -0.00005 166 2S -0.00002 -0.00007 0.00001 0.00058 -0.00034 167 17 C 1S 0.00001 0.00000 0.00000 -0.00005 0.00005 168 2S 0.00000 0.00001 -0.00002 -0.00018 -0.00011 169 2PX 0.00002 0.00000 0.00002 -0.00001 -0.00006 170 2PY -0.00002 0.00000 -0.00002 0.00007 0.00002 171 2PZ -0.00001 -0.00001 -0.00002 0.00003 -0.00006 172 3S 0.00006 0.00007 0.00020 -0.00155 0.00255 173 3PX 0.00004 -0.00003 0.00013 0.00052 -0.00055 174 3PY -0.00004 -0.00003 -0.00004 0.00046 -0.00118 175 3PZ 0.00006 0.00005 0.00005 0.00054 -0.00095 176 4XX 0.00002 -0.00001 0.00002 -0.00001 -0.00005 177 4YY 0.00003 0.00001 0.00001 -0.00001 0.00001 178 4ZZ 0.00002 -0.00001 0.00000 -0.00009 0.00002 179 4XY -0.00001 0.00000 -0.00001 -0.00008 0.00005 180 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00005 181 4YZ 0.00000 -0.00001 0.00000 0.00002 0.00008 182 18 H 1S 0.00000 0.00000 -0.00002 -0.00003 0.00002 183 2S 0.00000 0.00000 -0.00005 -0.00027 0.00043 184 19 H 1S 0.00000 0.00001 0.00000 0.00004 -0.00011 185 2S 0.00003 -0.00001 0.00004 0.00038 -0.00035 6 7 8 9 10 O O O O O Eigenvalues -- -10.21702 -10.21394 -10.21286 -10.20849 -10.19359 1 1 S 1S -0.00001 -0.00001 -0.00001 0.00000 0.00000 2 2S -0.00017 -0.00011 -0.00009 -0.00002 -0.00001 3 2PX 0.00002 0.00000 -0.00002 -0.00001 0.00000 4 2PY 0.00000 0.00001 -0.00001 -0.00003 0.00000 5 2PZ 0.00002 0.00001 0.00000 0.00000 0.00001 6 3S -0.00079 -0.00051 -0.00037 -0.00010 -0.00003 7 3PX 0.00000 0.00004 0.00020 0.00006 0.00003 8 3PY -0.00002 0.00000 0.00017 0.00018 0.00001 9 3PZ -0.00017 -0.00014 -0.00005 0.00004 -0.00005 10 4S 0.00405 0.00175 0.00219 0.00020 0.00003 11 4PX -0.00196 -0.00090 -0.00104 -0.00016 -0.00001 12 4PY 0.00060 -0.00090 0.00022 -0.00030 0.00003 13 4PZ 0.00002 0.00077 -0.00016 0.00003 0.00000 14 5XX 0.00002 -0.00015 -0.00016 -0.00003 -0.00001 15 5YY -0.00012 -0.00008 -0.00002 -0.00010 -0.00002 16 5ZZ -0.00017 -0.00006 -0.00008 -0.00002 -0.00003 17 5XY 0.00001 0.00013 0.00000 -0.00002 0.00000 18 5XZ -0.00004 -0.00009 -0.00001 -0.00001 0.00003 19 5YZ 0.00001 -0.00004 -0.00004 0.00004 0.00000 20 2 O 1S 0.00006 -0.00003 0.00008 -0.00001 0.00000 21 2S 0.00031 -0.00012 0.00034 -0.00005 0.00001 22 2PX 0.00008 -0.00005 -0.00003 -0.00001 0.00000 23 2PY -0.00003 0.00000 -0.00005 0.00000 0.00000 24 2PZ -0.00003 0.00000 0.00002 -0.00001 0.00000 25 3S -0.00187 0.00059 -0.00168 0.00023 -0.00005 26 3PX 0.00000 0.00022 0.00021 0.00005 0.00000 27 3PY 0.00042 -0.00002 0.00043 -0.00002 0.00001 28 3PZ -0.00011 0.00003 -0.00020 0.00004 -0.00001 29 4XX 0.00021 -0.00011 0.00024 -0.00004 0.00001 30 4YY 0.00012 -0.00011 0.00019 -0.00003 0.00001 31 4ZZ 0.00012 -0.00009 0.00024 -0.00003 0.00001 32 4XY -0.00005 -0.00002 -0.00003 0.00000 0.00000 33 4XZ -0.00004 -0.00001 0.00001 0.00000 0.00000 34 4YZ -0.00004 -0.00001 0.00003 -0.00001 0.00000 35 3 O 1S 0.00009 0.00003 -0.00005 -0.00009 0.00001 36 2S 0.00039 0.00011 -0.00024 -0.00041 0.00004 37 2PX 0.00002 0.00003 0.00013 0.00002 -0.00003 38 2PY 0.00009 0.00000 -0.00004 0.00006 0.00001 39 2PZ -0.00001 0.00000 -0.00002 -0.00012 0.00000 40 3S -0.00208 -0.00063 0.00086 0.00161 -0.00006 41 3PX -0.00005 -0.00033 -0.00085 -0.00035 0.00008 42 3PY -0.00074 -0.00013 -0.00003 -0.00023 -0.00004 43 3PZ -0.00017 -0.00015 0.00026 0.00071 0.00009 44 4XX 0.00029 0.00011 0.00000 -0.00029 0.00001 45 4YY 0.00021 0.00005 -0.00017 -0.00035 0.00004 46 4ZZ 0.00028 0.00008 -0.00023 -0.00009 0.00006 47 4XY 0.00001 0.00002 -0.00011 0.00007 0.00001 48 4XZ -0.00002 -0.00005 -0.00012 -0.00007 -0.00002 49 4YZ -0.00004 -0.00001 0.00004 -0.00011 -0.00001 50 4 C 1S -0.00014 0.07512 -0.00119 0.98998 -0.00002 51 2S 0.00005 0.00315 -0.00059 0.04968 0.00001 52 2PX 0.00003 -0.00011 0.00008 0.00000 0.00000 53 2PY -0.00005 -0.00025 -0.00010 0.00041 0.00002 54 2PZ -0.00005 -0.00019 0.00003 -0.00027 -0.00002 55 3S -0.00130 0.00560 0.00348 -0.01606 0.00038 56 3PX -0.00009 0.00101 -0.00019 -0.00071 0.00010 57 3PY -0.00094 0.00298 0.00242 -0.00319 0.00022 58 3PZ 0.00007 0.00099 -0.00082 0.00008 -0.00013 59 4XX 0.00000 -0.00089 -0.00020 -0.00938 0.00001 60 4YY -0.00003 -0.00089 -0.00001 -0.00901 0.00003 61 4ZZ 0.00002 -0.00099 -0.00009 -0.00919 0.00004 62 4XY 0.00000 -0.00003 -0.00011 0.00017 0.00002 63 4XZ 0.00002 -0.00006 0.00008 0.00011 -0.00001 64 4YZ 0.00002 -0.00005 -0.00006 0.00006 -0.00001 65 5 C 1S -0.00009 -0.00017 -0.00222 -0.00222 0.00005 66 2S -0.00024 -0.00002 0.00037 0.00027 -0.00008 67 2PX 0.00007 -0.00002 0.00000 -0.00001 0.00009 68 2PY -0.00006 0.00010 0.00000 -0.00001 0.00000 69 2PZ 0.00002 -0.00006 0.00004 0.00006 0.00005 70 3S 0.00141 -0.00087 -0.00087 0.00002 -0.00027 71 3PX -0.00057 -0.00028 -0.00134 0.00032 -0.00035 72 3PY 0.00047 -0.00037 -0.00013 -0.00184 -0.00021 73 3PZ -0.00010 -0.00013 -0.00116 0.00056 -0.00052 74 4XX -0.00003 -0.00002 -0.00018 -0.00008 0.00003 75 4YY 0.00002 0.00005 -0.00021 -0.00012 0.00003 76 4ZZ -0.00003 0.00007 -0.00003 -0.00025 -0.00003 77 4XY -0.00002 0.00002 0.00021 0.00006 -0.00004 78 4XZ 0.00006 0.00006 0.00004 -0.00003 0.00003 79 4YZ 0.00002 0.00005 -0.00001 0.00016 0.00002 80 6 C 1S 0.03477 -0.00016 0.99200 0.00100 -0.02288 81 2S 0.00150 -0.00002 0.04972 -0.00043 -0.00167 82 2PX -0.00006 0.00004 0.00029 -0.00006 0.00037 83 2PY -0.00017 -0.00003 -0.00007 0.00019 -0.00003 84 2PZ -0.00021 -0.00006 0.00014 -0.00010 0.00022 85 3S 0.00438 -0.00004 -0.01691 0.00235 0.00515 86 3PX 0.00119 -0.00055 -0.00048 0.00214 -0.00099 87 3PY 0.00294 0.00015 -0.00172 -0.00200 0.00035 88 3PZ 0.00275 -0.00041 -0.00136 0.00115 -0.00043 89 4XX -0.00058 -0.00001 -0.00878 -0.00016 -0.00010 90 4YY -0.00063 0.00006 -0.00925 -0.00008 -0.00003 91 4ZZ -0.00064 -0.00002 -0.00915 -0.00011 0.00000 92 4XY -0.00007 -0.00002 -0.00008 -0.00012 0.00005 93 4XZ -0.00012 0.00000 0.00032 0.00007 -0.00010 94 4YZ -0.00018 0.00001 0.00000 -0.00004 -0.00004 95 7 C 1S 0.99212 0.00147 -0.03505 0.00001 0.00024 96 2S 0.04988 -0.00028 -0.00199 0.00004 0.00000 97 2PX 0.00035 -0.00007 0.00014 0.00007 0.00006 98 2PY -0.00028 0.00013 0.00020 0.00003 -0.00003 99 2PZ -0.00009 -0.00016 0.00018 0.00004 0.00002 100 3S -0.01823 0.00128 0.00547 -0.00071 -0.00112 101 3PX 0.00029 0.00110 -0.00170 -0.00071 -0.00051 102 3PY 0.00165 -0.00156 -0.00239 0.00104 0.00088 103 3PZ 0.00165 0.00081 -0.00232 -0.00019 0.00019 104 4XX -0.00908 -0.00012 0.00010 0.00003 0.00001 105 4YY -0.00877 -0.00004 -0.00005 -0.00004 0.00004 106 4ZZ -0.00920 -0.00016 0.00002 0.00004 0.00003 107 4XY -0.00026 -0.00003 -0.00006 0.00000 0.00002 108 4XZ -0.00003 0.00008 -0.00007 0.00004 0.00003 109 4YZ 0.00012 -0.00007 -0.00020 0.00001 0.00004 110 8 C 1S -0.00820 -0.00761 0.00024 0.00048 -0.00001 111 2S 0.00003 -0.00020 -0.00011 -0.00012 -0.00015 112 2PX 0.00013 0.00008 0.00003 -0.00003 -0.00003 113 2PY 0.00002 0.00005 -0.00006 0.00006 0.00002 114 2PZ -0.00007 -0.00005 0.00003 -0.00007 0.00001 115 3S 0.00015 0.00174 0.00051 -0.00046 0.00116 116 3PX -0.00127 0.00019 -0.00055 -0.00024 -0.00046 117 3PY 0.00089 -0.00154 -0.00007 0.00041 -0.00029 118 3PZ 0.00052 0.00109 0.00048 -0.00002 -0.00042 119 4XX -0.00021 0.00002 0.00006 0.00000 -0.00001 120 4YY 0.00005 -0.00022 0.00009 0.00011 -0.00004 121 4ZZ 0.00006 -0.00007 -0.00003 0.00006 -0.00003 122 4XY 0.00013 -0.00002 -0.00003 0.00005 0.00001 123 4XZ -0.00013 -0.00001 0.00008 0.00005 0.00003 124 4YZ 0.00002 0.00020 0.00005 0.00001 -0.00001 125 9 C 1S -0.00167 0.98994 0.00032 -0.07562 0.00001 126 2S -0.00046 0.04965 0.00013 -0.00442 -0.00001 127 2PX 0.00008 0.00003 0.00006 0.00015 -0.00001 128 2PY -0.00009 0.00037 0.00008 0.00018 -0.00002 129 2PZ 0.00003 -0.00039 0.00003 0.00030 0.00001 130 3S 0.00218 -0.01649 -0.00223 0.00772 -0.00037 131 3PX -0.00072 0.00086 0.00052 -0.00130 0.00004 132 3PY 0.00055 -0.00056 -0.00039 -0.00109 -0.00007 133 3PZ -0.00130 0.00329 0.00115 -0.00298 0.00022 134 4XX -0.00006 -0.00935 0.00000 0.00054 0.00001 135 4YY -0.00005 -0.00916 0.00004 0.00039 -0.00002 136 4ZZ -0.00012 -0.00907 0.00000 0.00049 -0.00001 137 4XY -0.00004 0.00009 0.00001 -0.00007 0.00000 138 4XZ 0.00013 0.00015 -0.00001 -0.00005 0.00001 139 4YZ -0.00008 0.00007 0.00002 -0.00007 0.00000 140 10 H 1S -0.00003 -0.00003 0.00007 -0.00051 0.00000 141 2S -0.00024 0.00072 0.00071 0.00131 0.00009 142 11 H 1S -0.00006 -0.00003 -0.00008 -0.00008 -0.00008 143 2S -0.00005 0.00006 -0.00052 -0.00039 -0.00025 144 12 H 1S 0.00001 -0.00004 -0.00002 -0.00004 0.00000 145 2S -0.00043 -0.00018 -0.00004 0.00017 0.00015 146 13 H 1S 0.00005 -0.00047 -0.00003 0.00002 -0.00001 147 2S 0.00043 0.00125 -0.00029 0.00042 -0.00005 148 14 C 1S 0.00059 -0.00001 0.02237 0.00006 0.99244 149 2S -0.00009 -0.00001 0.00057 0.00001 0.04944 150 2PX 0.00000 -0.00002 -0.00040 0.00002 0.00010 151 2PY -0.00003 -0.00002 0.00004 -0.00004 -0.00001 152 2PZ -0.00002 0.00000 -0.00024 0.00003 0.00008 153 3S 0.00058 -0.00041 0.00422 0.00106 -0.01278 154 3PX 0.00046 -0.00013 0.00137 0.00043 -0.00063 155 3PY -0.00078 0.00009 0.00050 0.00076 -0.00007 156 3PZ -0.00025 -0.00007 0.00119 0.00031 -0.00043 157 4XX 0.00007 0.00000 -0.00056 0.00006 -0.00933 158 4YY 0.00002 0.00000 -0.00042 0.00000 -0.00957 159 4ZZ -0.00004 -0.00001 -0.00042 0.00000 -0.00960 160 4XY -0.00007 0.00000 0.00007 0.00003 -0.00011 161 4XZ 0.00004 0.00000 -0.00013 -0.00001 0.00031 162 4YZ 0.00001 0.00000 -0.00001 0.00003 0.00010 163 15 H 1S 0.00002 0.00000 -0.00013 -0.00007 -0.00033 164 2S 0.00036 -0.00003 -0.00038 -0.00024 0.00232 165 16 H 1S -0.00006 0.00002 -0.00003 0.00004 -0.00034 166 2S -0.00020 0.00001 0.00017 0.00038 0.00215 167 17 C 1S 0.01722 0.00005 -0.00079 -0.00003 -0.00218 168 2S 0.00032 0.00000 -0.00014 -0.00003 -0.00014 169 2PX -0.00016 0.00000 0.00003 0.00000 0.00004 170 2PY 0.00039 -0.00004 0.00000 0.00001 0.00004 171 2PZ 0.00008 0.00004 0.00002 0.00002 0.00005 172 3S 0.00401 0.00075 0.00011 -0.00048 -0.00018 173 3PX 0.00032 -0.00004 0.00065 -0.00010 -0.00028 174 3PY -0.00156 -0.00030 -0.00002 0.00014 0.00012 175 3PZ -0.00076 -0.00063 0.00037 0.00005 -0.00015 176 4XX -0.00038 0.00003 0.00008 -0.00001 0.00000 177 4YY -0.00049 0.00000 0.00006 0.00000 -0.00002 178 4ZZ -0.00030 0.00002 -0.00001 -0.00001 -0.00002 179 4XY 0.00010 -0.00001 -0.00009 -0.00001 -0.00002 180 4XZ -0.00004 -0.00002 0.00004 0.00001 0.00000 181 4YZ -0.00004 0.00005 0.00002 -0.00001 -0.00001 182 18 H 1S -0.00004 0.00002 -0.00005 0.00002 0.00002 183 2S 0.00011 0.00029 -0.00010 -0.00003 0.00008 184 19 H 1S -0.00012 -0.00005 0.00002 -0.00001 -0.00001 185 2S -0.00032 -0.00014 0.00035 -0.00001 -0.00034 11 12 13 14 15 O O O O O Eigenvalues -- -10.19245 -8.06032 -6.02563 -6.02305 -6.01715 1 1 S 1S 0.00000 -0.27980 -0.00103 -0.00058 -0.00357 2 2S 0.00000 1.02278 0.00393 0.00252 0.01332 3 2PX 0.00000 -0.01104 0.40417 -0.27819 0.86105 4 2PY 0.00001 0.00323 0.84285 -0.22507 -0.46900 5 2PZ 0.00000 -0.00496 0.32762 0.92370 0.14487 6 3S -0.00011 0.07608 -0.00034 0.00154 -0.00162 7 3PX -0.00002 -0.00321 0.01339 -0.00959 0.02576 8 3PY -0.00001 0.00061 0.02903 -0.00903 -0.01470 9 3PZ -0.00001 -0.00025 0.00955 0.03058 0.00457 10 4S 0.00065 -0.01691 -0.00051 -0.00703 -0.00565 11 4PX -0.00029 0.00326 -0.00268 0.00491 -0.00469 12 4PY 0.00014 0.00045 -0.00523 0.00094 0.00252 13 4PZ 0.00002 -0.00135 -0.00249 -0.00639 -0.00094 14 5XX 0.00002 -0.01594 -0.00099 0.00159 -0.00079 15 5YY 0.00005 -0.01493 0.00127 -0.00154 -0.00014 16 5ZZ 0.00006 -0.01551 0.00013 -0.00008 0.00048 17 5XY 0.00003 0.00060 -0.00193 0.00005 0.00079 18 5XZ -0.00002 -0.00016 -0.00110 -0.00189 -0.00025 19 5YZ -0.00003 -0.00030 -0.00203 0.00121 0.00068 20 2 O 1S 0.00002 -0.00025 -0.00026 0.00013 0.00011 21 2S 0.00010 -0.00013 0.00041 -0.00117 -0.00080 22 2PX 0.00001 0.00012 -0.00007 0.00011 -0.00001 23 2PY -0.00002 -0.00018 -0.00013 0.00026 0.00030 24 2PZ 0.00000 0.00010 0.00000 -0.00020 -0.00015 25 3S -0.00048 -0.00028 -0.00305 0.00704 0.00495 26 3PX 0.00003 -0.00068 -0.00021 -0.00035 -0.00060 27 3PY 0.00016 0.00210 0.00296 -0.00451 -0.00276 28 3PZ -0.00008 -0.00104 -0.00207 0.00207 0.00149 29 4XX 0.00006 -0.00017 0.00014 -0.00067 -0.00042 30 4YY 0.00004 -0.00022 0.00012 0.00023 -0.00048 31 4ZZ 0.00005 -0.00015 -0.00037 -0.00092 -0.00042 32 4XY -0.00001 0.00006 0.00025 -0.00005 0.00069 33 4XZ 0.00000 0.00000 -0.00011 0.00005 -0.00035 34 4YZ 0.00001 0.00004 0.00060 0.00006 -0.00001 35 3 O 1S 0.00002 -0.00006 -0.00010 -0.00003 -0.00021 36 2S 0.00010 0.00012 -0.00137 -0.00018 -0.00101 37 2PX 0.00000 -0.00005 0.00004 -0.00011 0.00010 38 2PY 0.00002 -0.00002 -0.00017 -0.00024 -0.00013 39 2PZ 0.00000 0.00007 -0.00026 -0.00004 -0.00004 40 3S -0.00065 -0.00053 0.00445 -0.00047 0.00538 41 3PX 0.00011 -0.00007 0.00207 0.00222 -0.00089 42 3PY -0.00009 -0.00113 0.00389 0.00228 0.00130 43 3PZ -0.00013 -0.00161 0.00359 -0.00031 0.00104 44 4XX 0.00005 -0.00027 -0.00037 -0.00009 -0.00092 45 4YY 0.00006 -0.00030 0.00004 0.00045 -0.00013 46 4ZZ 0.00004 -0.00021 -0.00022 -0.00066 -0.00075 47 4XY -0.00001 -0.00040 0.00093 0.00038 -0.00014 48 4XZ 0.00001 -0.00005 0.00051 0.00010 -0.00039 49 4YZ 0.00000 -0.00038 0.00100 -0.00001 0.00027 50 4 C 1S 0.00001 -0.00004 0.00012 -0.00001 -0.00007 51 2S 0.00000 -0.00009 0.00055 0.00000 -0.00042 52 2PX 0.00000 -0.00012 0.00002 -0.00004 0.00001 53 2PY -0.00002 -0.00017 0.00009 -0.00012 0.00020 54 2PZ 0.00003 0.00009 -0.00023 0.00007 0.00009 55 3S -0.00062 -0.00628 -0.00110 -0.00649 0.00821 56 3PX -0.00010 -0.00049 -0.00080 -0.00077 0.00105 57 3PY -0.00036 -0.00404 -0.00062 -0.00356 0.00444 58 3PZ 0.00012 0.00036 0.00062 0.00137 0.00002 59 4XX -0.00001 -0.00011 0.00017 -0.00001 -0.00008 60 4YY -0.00001 -0.00021 0.00018 -0.00006 0.00008 61 4ZZ -0.00002 -0.00011 0.00014 -0.00016 -0.00005 62 4XY -0.00002 0.00007 -0.00018 0.00002 0.00005 63 4XZ -0.00001 -0.00007 0.00007 -0.00005 0.00002 64 4YZ 0.00001 0.00001 0.00003 0.00001 0.00004 65 5 C 1S -0.00003 -0.00022 0.00005 -0.00029 0.00017 66 2S -0.00023 -0.00125 0.00043 -0.00160 0.00099 67 2PX -0.00002 -0.00004 -0.00022 -0.00010 -0.00027 68 2PY 0.00001 -0.00021 -0.00005 -0.00004 0.00017 69 2PZ -0.00003 -0.00022 0.00031 -0.00018 0.00005 70 3S 0.00173 0.00744 -0.00048 0.01170 -0.00670 71 3PX 0.00009 0.00196 -0.00065 0.00296 -0.00080 72 3PY 0.00077 0.00419 -0.00223 0.00384 -0.00274 73 3PZ 0.00047 0.00416 -0.00291 0.00327 -0.00152 74 4XX -0.00004 0.00000 -0.00016 -0.00010 0.00002 75 4YY -0.00001 -0.00013 -0.00016 -0.00025 0.00005 76 4ZZ -0.00004 -0.00023 0.00016 -0.00019 0.00019 77 4XY -0.00001 0.00014 -0.00025 0.00007 -0.00009 78 4XZ -0.00002 0.00001 -0.00013 -0.00005 -0.00007 79 4YZ 0.00001 -0.00003 0.00002 0.00002 0.00003 80 6 C 1S 0.00014 -0.00008 0.00005 0.00002 0.00011 81 2S 0.00000 -0.00027 0.00016 0.00024 0.00053 82 2PX 0.00006 -0.00016 0.00016 -0.00004 0.00010 83 2PY -0.00005 -0.00001 -0.00006 -0.00004 -0.00013 84 2PZ 0.00000 0.00011 -0.00013 -0.00010 -0.00002 85 3S -0.00105 -0.00241 0.00205 -0.00677 -0.00249 86 3PX -0.00103 -0.00362 0.00081 -0.00620 -0.00124 87 3PY 0.00041 0.00105 0.00081 0.00072 -0.00289 88 3PZ -0.00036 -0.00254 0.00282 -0.00303 -0.00268 89 4XX 0.00000 -0.00018 0.00001 -0.00014 0.00005 90 4YY 0.00004 -0.00023 0.00016 -0.00003 0.00019 91 4ZZ 0.00003 -0.00023 0.00020 -0.00010 0.00010 92 4XY 0.00003 0.00003 -0.00002 -0.00001 -0.00013 93 4XZ 0.00003 -0.00009 0.00009 -0.00014 -0.00011 94 4YZ 0.00004 0.00006 -0.00002 -0.00004 -0.00008 95 7 C 1S -0.01772 -0.00015 -0.00004 -0.00015 -0.00009 96 2S -0.00136 -0.00096 -0.00006 -0.00100 -0.00010 97 2PX 0.00018 0.00002 -0.00021 -0.00007 -0.00054 98 2PY -0.00040 -0.00008 -0.00014 0.00023 0.00054 99 2PZ -0.00011 0.00011 0.00000 0.00010 0.00007 100 3S 0.00491 0.00889 -0.00087 0.00883 -0.00252 101 3PX -0.00055 0.00552 0.00099 0.00783 -0.00202 102 3PY 0.00105 -0.00442 0.00382 -0.01012 -0.00523 103 3PZ 0.00021 -0.00032 0.00145 -0.00222 -0.00300 104 4XX -0.00007 0.00017 -0.00010 0.00025 -0.00055 105 4YY -0.00013 -0.00004 -0.00018 -0.00007 -0.00048 106 4ZZ -0.00001 -0.00019 -0.00010 -0.00010 -0.00006 107 4XY 0.00008 -0.00019 0.00002 -0.00016 0.00028 108 4XZ -0.00005 -0.00005 0.00001 0.00001 0.00026 109 4YZ -0.00007 0.00009 -0.00002 0.00015 0.00001 110 8 C 1S 0.00010 0.00035 -0.00004 0.00047 -0.00032 111 2S 0.00000 0.00219 -0.00009 0.00343 -0.00202 112 2PX 0.00004 -0.00024 0.00012 -0.00024 0.00044 113 2PY -0.00008 -0.00037 0.00038 -0.00053 0.00000 114 2PZ -0.00006 -0.00022 0.00034 -0.00015 0.00037 115 3S -0.00080 -0.01258 -0.00086 -0.01667 0.00923 116 3PX 0.00005 0.00492 -0.00140 0.00443 -0.00222 117 3PY 0.00051 0.00512 -0.00350 0.00715 -0.00131 118 3PZ 0.00050 0.00413 -0.00226 0.00658 -0.00528 119 4XX 0.00007 0.00009 -0.00027 -0.00017 -0.00026 120 4YY 0.00004 0.00032 0.00000 0.00052 -0.00040 121 4ZZ 0.00001 0.00016 -0.00006 -0.00015 0.00020 122 4XY -0.00006 0.00012 -0.00014 0.00022 -0.00010 123 4XZ 0.00004 0.00027 0.00018 0.00079 -0.00037 124 4YZ 0.00003 0.00016 0.00019 0.00005 -0.00012 125 9 C 1S -0.00001 -0.00016 -0.00008 -0.00008 0.00010 126 2S 0.00000 -0.00098 -0.00024 -0.00075 0.00054 127 2PX -0.00001 -0.00005 -0.00009 0.00001 -0.00015 128 2PY 0.00002 0.00024 -0.00024 0.00041 0.00004 129 2PZ -0.00001 -0.00006 0.00027 -0.00035 -0.00025 130 3S 0.00051 0.01075 0.00019 0.01074 -0.00678 131 3PX -0.00002 -0.00090 0.00010 0.00003 0.00302 132 3PY 0.00004 0.00179 0.00016 0.00224 0.00020 133 3PZ -0.00041 -0.00592 -0.00057 -0.00571 0.00676 134 4XX 0.00001 -0.00025 -0.00023 -0.00002 0.00019 135 4YY 0.00002 0.00000 -0.00010 0.00009 -0.00004 136 4ZZ 0.00003 0.00011 -0.00023 0.00038 -0.00004 137 4XY 0.00002 0.00013 -0.00002 0.00019 -0.00001 138 4XZ 0.00000 -0.00007 0.00004 -0.00016 -0.00020 139 4YZ -0.00001 -0.00015 0.00010 -0.00024 -0.00001 140 10 H 1S -0.00001 -0.00012 -0.00002 -0.00009 0.00007 141 2S -0.00009 -0.00106 -0.00022 -0.00088 0.00093 142 11 H 1S 0.00000 0.00034 -0.00041 -0.00003 0.00001 143 2S 0.00018 0.00172 -0.00128 0.00114 -0.00053 144 12 H 1S -0.00006 -0.00037 0.00035 -0.00039 0.00003 145 2S -0.00025 -0.00107 0.00326 -0.00156 0.00141 146 13 H 1S 0.00001 0.00006 0.00008 -0.00003 -0.00040 147 2S 0.00013 0.00144 0.00019 0.00122 -0.00261 148 14 C 1S 0.00216 -0.00001 -0.00001 -0.00002 0.00000 149 2S 0.00008 -0.00003 -0.00002 -0.00012 0.00001 150 2PX -0.00002 -0.00004 0.00000 -0.00002 -0.00001 151 2PY -0.00006 0.00003 -0.00003 -0.00001 -0.00002 152 2PZ -0.00004 -0.00005 0.00000 -0.00007 0.00000 153 3S -0.00029 -0.00251 0.00108 -0.00268 -0.00076 154 3PX -0.00020 -0.00079 0.00066 -0.00068 -0.00057 155 3PY 0.00019 -0.00013 -0.00028 0.00018 0.00114 156 3PZ -0.00004 -0.00022 -0.00028 -0.00038 0.00029 157 4XX -0.00005 0.00001 0.00003 0.00005 -0.00003 158 4YY -0.00006 -0.00003 0.00000 -0.00005 -0.00002 159 4ZZ -0.00007 0.00003 -0.00007 -0.00005 0.00000 160 4XY -0.00002 -0.00002 -0.00001 -0.00002 0.00003 161 4XZ 0.00000 0.00006 -0.00005 0.00005 0.00001 162 4YZ -0.00001 -0.00001 0.00001 0.00000 0.00001 163 15 H 1S -0.00001 0.00003 0.00000 0.00001 -0.00006 164 2S -0.00029 0.00014 0.00022 -0.00003 -0.00064 165 16 H 1S 0.00001 0.00003 -0.00003 0.00004 0.00009 166 2S 0.00006 0.00005 -0.00016 0.00008 0.00035 167 17 C 1S 0.99254 0.00000 -0.00001 -0.00002 0.00001 168 2S 0.04943 0.00004 -0.00002 -0.00010 -0.00013 169 2PX 0.00003 -0.00004 -0.00011 0.00010 0.00027 170 2PY -0.00011 0.00002 0.00002 -0.00016 -0.00026 171 2PZ -0.00002 0.00004 0.00003 0.00002 -0.00014 172 3S -0.01280 0.00210 -0.00184 0.00693 0.00391 173 3PX -0.00024 -0.00080 -0.00080 -0.00007 0.00152 174 3PY 0.00068 -0.00085 0.00061 -0.00265 -0.00140 175 3PZ 0.00023 -0.00065 -0.00005 -0.00109 0.00040 176 4XX -0.00954 -0.00009 -0.00010 -0.00004 0.00013 177 4YY -0.00930 -0.00002 0.00003 0.00005 0.00024 178 4ZZ -0.00967 -0.00003 -0.00006 -0.00002 0.00008 179 4XY -0.00022 0.00009 0.00004 0.00004 -0.00017 180 4XZ 0.00011 0.00002 0.00001 0.00003 0.00000 181 4YZ 0.00018 -0.00002 0.00002 0.00001 0.00003 182 18 H 1S -0.00034 0.00007 0.00006 0.00001 -0.00011 183 2S 0.00218 0.00037 -0.00002 0.00044 -0.00033 184 19 H 1S -0.00034 -0.00009 0.00001 -0.00020 -0.00004 185 2S 0.00231 -0.00048 -0.00025 -0.00050 0.00052 16 17 18 19 20 O O O O O Eigenvalues -- -1.07452 -1.01307 -0.86965 -0.80054 -0.78740 1 1 S 1S 0.03968 0.01934 0.00152 -0.01316 -0.01732 2 2S -0.17776 -0.08799 -0.00661 0.05952 0.07754 3 2PX 0.02883 -0.01292 0.00906 -0.01409 -0.02455 4 2PY -0.02324 -0.08860 -0.00776 -0.02105 -0.03336 5 2PZ 0.03669 0.02210 -0.03220 0.02387 0.01462 6 3S 0.36088 0.17791 0.01443 -0.12648 -0.16934 7 3PX -0.06342 0.02592 -0.02131 0.03328 0.05913 8 3PY 0.04739 0.18940 0.01688 0.04891 0.07641 9 3PZ -0.07403 -0.04809 0.07168 -0.05516 -0.03451 10 4S -0.02690 0.01636 -0.00544 -0.02978 -0.03503 11 4PX 0.03346 -0.00416 0.00399 -0.00023 -0.00315 12 4PY -0.00956 -0.02092 -0.00167 -0.00174 0.00073 13 4PZ 0.00930 0.00859 -0.00383 -0.00032 -0.00237 14 5XX -0.01798 -0.02786 0.00753 -0.00194 -0.00787 15 5YY 0.02136 0.02362 -0.01011 0.00950 0.01342 16 5ZZ -0.00987 -0.00553 0.00468 -0.00505 -0.00374 17 5XY 0.01069 -0.01933 -0.00663 -0.00492 -0.00601 18 5XZ 0.00799 -0.00584 -0.01610 0.00927 0.00342 19 5YZ -0.01331 -0.04507 -0.00369 -0.00833 -0.02249 20 2 O 1S -0.11212 -0.14702 0.01193 -0.02764 -0.04512 21 2S 0.24172 0.32580 -0.02679 0.06055 0.10154 22 2PX -0.00004 0.00508 -0.00425 0.00169 0.00936 23 2PY -0.09302 -0.10251 0.00913 -0.00350 -0.00454 24 2PZ 0.04977 0.06179 0.00380 -0.00105 0.00128 25 3S 0.23168 0.29271 -0.02628 0.07313 0.11382 26 3PX -0.00617 0.00148 -0.00126 -0.00026 0.00368 27 3PY -0.03522 -0.02902 0.00349 -0.00085 -0.00021 28 3PZ 0.01816 0.01943 0.00144 -0.00022 0.00099 29 4XX -0.00648 -0.00569 0.00071 -0.00114 -0.00162 30 4YY 0.01061 0.00914 -0.00126 -0.00123 -0.00155 31 4ZZ -0.00113 0.00022 0.00073 -0.00149 -0.00130 32 4XY 0.00089 -0.00029 0.00020 -0.00007 -0.00048 33 4XZ -0.00005 0.00047 -0.00024 0.00011 0.00055 34 4YZ -0.00979 -0.00944 0.00017 0.00027 0.00000 35 3 O 1S -0.13988 0.13423 0.06346 -0.00295 0.02800 36 2S 0.29765 -0.29533 -0.13805 0.00621 -0.06096 37 2PX -0.02000 0.04618 -0.01351 -0.04726 -0.07747 38 2PY 0.03620 -0.00198 -0.01127 -0.01933 -0.06407 39 2PZ 0.06082 -0.05301 -0.00006 -0.01767 -0.00239 40 3S 0.33231 -0.30838 -0.18127 0.00996 -0.09167 41 3PX -0.01036 0.02441 0.00108 -0.02189 -0.03263 42 3PY 0.03106 -0.00410 -0.00881 -0.00901 -0.03294 43 3PZ 0.04272 -0.03344 -0.01000 -0.00662 -0.00578 44 4XX 0.00073 -0.00348 0.00139 0.00334 0.00511 45 4YY -0.00023 0.00284 0.00078 -0.00107 -0.00263 46 4ZZ -0.00125 0.00039 0.00327 -0.00244 0.00128 47 4XY 0.00918 -0.00548 -0.00335 -0.00059 -0.00064 48 4XZ -0.00162 0.00490 -0.00135 -0.00298 -0.00575 49 4YZ 0.00823 -0.00321 -0.00226 -0.00188 -0.00579 50 4 C 1S -0.01430 0.01841 -0.07056 0.05595 -0.10980 51 2S 0.02707 -0.03358 0.13587 -0.10578 0.21548 52 2PX 0.00324 -0.00238 0.00902 -0.03466 -0.00101 53 2PY 0.01240 -0.01291 0.05448 -0.03835 0.03336 54 2PZ -0.01378 0.01793 0.01217 -0.05108 -0.01952 55 3S 0.01818 -0.01883 0.07380 -0.08252 0.12885 56 3PX 0.00340 -0.00364 -0.00124 -0.00234 -0.00446 57 3PY 0.00400 -0.00186 -0.00358 -0.00913 -0.01581 58 3PZ -0.00199 0.00055 0.00506 -0.00317 -0.00167 59 4XX -0.00099 0.00173 -0.00576 0.00471 -0.00904 60 4YY 0.00079 -0.00048 0.00317 -0.00249 0.00119 61 4ZZ 0.00258 -0.00281 -0.00164 0.00387 0.00180 62 4XY 0.00062 -0.00062 0.00252 -0.00473 0.00211 63 4XZ 0.00042 -0.00036 0.00353 -0.00174 0.00491 64 4YZ -0.00167 0.00190 0.00158 -0.00454 -0.00205 65 5 C 1S -0.04915 0.06039 -0.04158 -0.04248 -0.09895 66 2S 0.09464 -0.11505 0.07061 0.08561 0.19226 67 2PX 0.05480 -0.06148 -0.04075 -0.04231 -0.01030 68 2PY 0.02467 -0.02522 0.01703 0.04209 -0.02278 69 2PZ -0.01638 0.02112 0.05675 -0.03929 0.04539 70 3S 0.01917 -0.05566 0.10421 0.06369 0.18362 71 3PX -0.00396 0.00283 0.00130 -0.01922 -0.00517 72 3PY -0.00867 -0.00246 0.02620 -0.00034 0.00953 73 3PZ -0.00231 -0.00655 0.02340 -0.01150 0.02375 74 4XX 0.00719 -0.00723 -0.00663 0.00099 -0.00598 75 4YY -0.00278 0.00333 0.00162 0.00370 -0.00382 76 4ZZ -0.00238 0.00247 0.00190 -0.00607 0.00396 77 4XY 0.00612 -0.00599 -0.00565 -0.00482 -0.00287 78 4XZ -0.00521 0.00594 0.00496 -0.00281 0.00335 79 4YZ -0.00096 0.00110 0.00209 0.00201 -0.00013 80 6 C 1S -0.01449 0.01589 -0.08199 -0.12035 -0.02655 81 2S 0.02393 -0.03248 0.16014 0.23664 0.05459 82 2PX 0.01470 -0.01605 0.01599 -0.04460 -0.00070 83 2PY -0.00796 0.01243 0.01301 0.01174 -0.07429 84 2PZ -0.00019 0.00253 0.02724 -0.02743 -0.03197 85 3S 0.02488 0.00008 0.06674 0.14078 0.02143 86 3PX 0.02056 0.00359 -0.00051 0.01629 0.00114 87 3PY -0.00199 0.00163 0.01245 -0.00088 -0.00290 88 3PZ 0.00449 0.00485 0.01183 0.00892 0.00421 89 4XX 0.00162 -0.00206 -0.00191 -0.00102 0.00045 90 4YY 0.00051 -0.00139 -0.00065 -0.00298 0.00029 91 4ZZ -0.00126 0.00073 -0.00269 -0.00661 -0.00336 92 4XY -0.00204 0.00294 0.00000 -0.00283 -0.00650 93 4XZ 0.00024 0.00006 0.00648 0.00582 -0.00012 94 4YZ 0.00109 -0.00067 0.00442 0.00478 -0.00356 95 7 C 1S -0.01161 0.00405 -0.10455 -0.05304 0.09025 96 2S 0.01658 -0.00809 0.20339 0.10266 -0.17766 97 2PX 0.00837 0.00239 0.01832 -0.06958 -0.01209 98 2PY -0.00718 0.00632 -0.02552 0.00908 -0.05801 99 2PZ -0.00307 0.00297 0.00131 -0.04682 -0.02935 100 3S 0.00981 -0.00103 0.09831 0.06996 -0.10917 101 3PX -0.00393 -0.00187 -0.00030 -0.00175 -0.00854 102 3PY 0.01286 0.01750 -0.01534 -0.01243 0.01434 103 3PZ -0.00286 0.00658 -0.00803 -0.01106 0.00536 104 4XX 0.00060 0.00092 -0.00104 -0.00548 0.00025 105 4YY -0.00094 -0.00071 0.00020 0.00159 0.00278 106 4ZZ -0.00085 -0.00013 -0.00538 -0.00142 0.00666 107 4XY -0.00086 0.00039 -0.00382 0.00292 0.00554 108 4XZ -0.00063 -0.00064 0.00603 0.00162 -0.00223 109 4YZ 0.00084 -0.00126 0.00419 0.00748 -0.00168 110 8 C 1S -0.02266 -0.00018 -0.10540 0.07232 0.06551 111 2S 0.03054 0.00022 0.19197 -0.13531 -0.12307 112 2PX 0.00702 0.00813 -0.04090 -0.02856 0.01422 113 2PY -0.00485 0.01031 -0.02963 0.05642 -0.04799 114 2PZ -0.02024 -0.00357 -0.01401 -0.01450 0.02999 115 3S 0.06954 0.00221 0.18556 -0.14072 -0.13326 116 3PX 0.00291 0.00298 -0.01382 -0.00434 0.00229 117 3PY -0.01226 -0.00221 -0.01428 0.02670 -0.01278 118 3PZ -0.02698 -0.00205 -0.02112 0.01053 0.00987 119 4XX -0.00085 0.00096 -0.00067 0.00584 -0.00296 120 4YY -0.00149 -0.00069 0.00156 -0.00476 0.00596 121 4ZZ 0.00232 0.00116 -0.00314 0.00120 -0.00157 122 4XY -0.00008 0.00015 -0.00002 -0.00241 0.00387 123 4XZ -0.00255 -0.00182 0.00406 0.00291 -0.00148 124 4YZ 0.00104 -0.00115 -0.00040 -0.00040 -0.00192 125 9 C 1S -0.01078 0.00871 -0.08981 0.09889 -0.04954 126 2S 0.01835 -0.01453 0.17238 -0.18976 0.09406 127 2PX -0.00025 0.00305 -0.01815 0.00187 -0.03063 128 2PY 0.00259 0.00235 0.02115 -0.00924 -0.07694 129 2PZ -0.01122 0.01043 -0.05185 0.03734 -0.03657 130 3S 0.00007 -0.01339 0.10318 -0.12722 0.09044 131 3PX -0.00043 -0.00401 0.00230 -0.00390 -0.01045 132 3PY -0.00113 -0.00274 0.00099 0.00009 -0.00683 133 3PZ 0.00410 0.00308 0.00240 -0.00178 -0.01826 134 4XX -0.00130 0.00091 -0.00729 0.00867 -0.00384 135 4YY -0.00011 0.00066 0.00240 -0.00091 -0.00451 136 4ZZ 0.00109 -0.00148 0.00086 -0.00086 0.00197 137 4XY 0.00029 -0.00046 0.00222 -0.00317 0.00237 138 4XZ -0.00012 -0.00007 0.00416 -0.00294 0.00525 139 4YZ -0.00023 -0.00009 -0.00175 0.00118 0.00642 140 10 H 1S 0.00318 -0.00475 0.02528 -0.02459 0.05823 141 2S 0.00019 -0.00010 -0.00154 -0.00528 0.00649 142 11 H 1S 0.01522 -0.02168 0.01285 0.02890 0.05777 143 2S 0.00017 -0.00392 0.00649 0.00194 0.01615 144 12 H 1S 0.00565 0.00188 0.04549 -0.03888 -0.04264 145 2S 0.00594 0.00370 0.01190 -0.01212 -0.00637 146 13 H 1S 0.00213 -0.00142 0.03416 -0.04943 0.02224 147 2S -0.00140 0.00037 -0.00054 -0.00719 0.00845 148 14 C 1S -0.00259 0.00396 -0.03724 -0.09879 -0.02153 149 2S 0.00495 -0.00710 0.07042 0.18793 0.04091 150 2PX 0.00352 -0.00447 0.03142 0.06417 0.01592 151 2PY -0.00073 0.00160 -0.00088 -0.00551 -0.01619 152 2PZ 0.00149 -0.00182 0.02111 0.03803 0.00290 153 3S 0.01190 -0.00403 0.05319 0.15867 0.03856 154 3PX 0.00257 -0.00053 0.00695 0.01318 0.00491 155 3PY -0.00101 -0.00085 -0.00638 0.00106 -0.00861 156 3PZ 0.00260 0.00025 0.00090 0.00973 -0.00235 157 4XX 0.00014 -0.00018 0.00182 0.00265 0.00089 158 4YY -0.00026 0.00043 -0.00145 -0.00274 -0.00042 159 4ZZ -0.00004 0.00044 -0.00128 -0.00434 -0.00131 160 4XY -0.00019 0.00027 -0.00116 -0.00313 -0.00197 161 4XZ 0.00031 -0.00027 0.00400 0.00823 0.00154 162 4YZ -0.00001 -0.00001 0.00100 0.00352 -0.00007 163 15 H 1S 0.00051 -0.00086 0.01637 0.04785 0.00565 164 2S 0.00012 0.00086 0.00494 0.00773 0.00047 165 16 H 1S 0.00081 -0.00157 0.01374 0.04711 0.01455 166 2S -0.00042 0.00016 -0.00146 0.00962 0.00112 167 17 C 1S -0.00207 0.00028 -0.04804 -0.04510 0.08056 168 2S 0.00362 -0.00081 0.09099 0.08569 -0.15428 169 2PX 0.00117 -0.00023 0.02073 0.00280 -0.03060 170 2PY -0.00197 0.00110 -0.04315 -0.03235 0.04940 171 2PZ -0.00072 0.00053 -0.00917 -0.01647 0.00803 172 3S -0.00737 -0.01217 0.07145 0.07279 -0.13253 173 3PX -0.00002 -0.00248 0.00770 -0.00167 -0.00521 174 3PY 0.00348 0.00514 -0.00783 -0.00897 0.01159 175 3PZ 0.00322 -0.00045 0.00191 -0.00548 0.00011 176 4XX -0.00020 -0.00014 -0.00109 -0.00169 0.00101 177 4YY 0.00015 -0.00024 0.00312 0.00205 -0.00277 178 4ZZ -0.00036 -0.00015 -0.00332 -0.00249 0.00484 179 4XY -0.00028 0.00010 -0.00387 -0.00177 0.00515 180 4XZ -0.00004 -0.00006 0.00139 0.00164 -0.00318 181 4YZ 0.00009 -0.00003 0.00260 0.00331 -0.00389 182 18 H 1S 0.00050 0.00019 0.01926 0.01775 -0.04203 183 2S -0.00115 0.00013 0.00006 0.00379 -0.00877 184 19 H 1S 0.00085 -0.00009 0.01952 0.02645 -0.03756 185 2S 0.00096 -0.00077 0.00410 0.00601 -0.00578 21 22 23 24 25 O O O O O Eigenvalues -- -0.72399 -0.67928 -0.64087 -0.61973 -0.56663 1 1 S 1S 0.02491 -0.00497 0.04021 0.01871 -0.01360 2 2S -0.11186 0.02197 -0.17917 -0.08391 0.06055 3 2PX 0.01972 0.00980 0.01493 -0.00514 0.01370 4 2PY 0.03120 -0.03222 0.04193 -0.01185 -0.00873 5 2PZ -0.02472 -0.03846 -0.00908 -0.05703 0.00495 6 3S 0.24816 -0.05167 0.41649 0.19293 -0.14476 7 3PX -0.04975 -0.02393 -0.04136 0.01018 -0.03296 8 3PY -0.07370 0.07828 -0.10134 0.02993 0.02186 9 3PZ 0.05816 0.09196 0.02053 0.14040 -0.01165 10 4S 0.06973 -0.01259 0.13327 0.07440 -0.05406 11 4PX -0.00083 -0.00542 0.00017 0.00091 -0.00666 12 4PY -0.00144 0.00755 -0.01247 -0.00230 0.00557 13 4PZ 0.00637 0.00097 0.01453 0.01888 -0.00904 14 5XX 0.00417 0.00979 0.00494 -0.00375 0.00451 15 5YY -0.01574 -0.00824 -0.01475 -0.01019 0.00672 16 5ZZ 0.00494 0.00118 -0.00643 0.00597 -0.00296 17 5XY 0.00631 -0.01254 0.00802 -0.00759 -0.00576 18 5XZ -0.00695 -0.01722 0.00064 -0.01941 -0.00190 19 5YZ 0.01572 -0.00726 0.01734 0.00217 0.00633 20 2 O 1S 0.04541 -0.00307 0.06646 0.03029 -0.01789 21 2S -0.10076 0.00889 -0.14833 -0.06696 0.03946 22 2PX -0.00397 -0.00712 -0.00410 0.00645 -0.01611 23 2PY -0.01156 0.01280 -0.05498 -0.01368 0.03337 24 2PZ 0.00747 0.01654 0.02434 0.04215 -0.00928 25 3S -0.12914 0.00201 -0.20528 -0.09847 0.06051 26 3PX -0.00088 -0.00209 -0.00141 0.00449 -0.00853 27 3PY -0.00570 0.00868 -0.02416 -0.00319 0.01629 28 3PZ 0.00174 0.00703 0.00845 0.01952 -0.00201 29 4XX 0.00154 0.00096 0.00193 0.00067 -0.00033 30 4YY 0.00327 -0.00166 0.00699 0.00065 -0.00298 31 4ZZ 0.00208 0.00226 0.00245 0.00402 -0.00044 32 4XY 0.00024 0.00036 0.00002 -0.00091 0.00112 33 4XZ -0.00012 -0.00034 -0.00035 0.00013 -0.00099 34 4YZ -0.00132 -0.00076 -0.00311 -0.00305 0.00134 35 3 O 1S 0.01302 0.03002 0.05313 0.02895 -0.02491 36 2S -0.02897 -0.06560 -0.12026 -0.06575 0.05617 37 2PX 0.07860 -0.12158 0.12596 -0.04498 0.02819 38 2PY 0.07305 -0.05580 0.11132 -0.06379 -0.04683 39 2PZ 0.01089 0.00369 0.06514 0.01858 -0.00403 40 3S -0.03605 -0.10686 -0.17454 -0.09652 0.08945 41 3PX 0.03818 -0.06014 0.06367 -0.02464 0.01522 42 3PY 0.03309 -0.02842 0.05433 -0.03687 -0.02583 43 3PZ 0.00538 -0.00224 0.02928 0.01171 -0.00113 44 4XX -0.00278 0.00646 -0.00295 0.00340 -0.00427 45 4YY 0.00350 -0.00224 0.00543 -0.00144 -0.00092 46 4ZZ 0.00176 0.00042 0.00707 0.00252 0.00006 47 4XY -0.00025 -0.00291 0.00012 0.00268 0.00207 48 4XZ 0.00497 -0.00716 0.00416 -0.00204 0.00100 49 4YZ 0.00494 -0.00272 0.00622 -0.00318 -0.00281 50 4 C 1S 0.04682 0.06798 -0.06644 -0.01171 -0.07348 51 2S -0.09320 -0.13251 0.13527 0.02502 0.14896 52 2PX 0.00708 -0.04830 -0.03375 -0.02901 -0.02094 53 2PY 0.00709 -0.00501 -0.02720 -0.06012 -0.10522 54 2PZ 0.02697 -0.11536 -0.05181 -0.09757 -0.02786 55 3S -0.06595 -0.12999 0.09221 0.01830 0.15792 56 3PX 0.00499 -0.00811 -0.01466 -0.00547 -0.01022 57 3PY 0.00898 0.00072 -0.02789 -0.02030 -0.03605 58 3PZ 0.00432 -0.01439 -0.00943 -0.02799 -0.01655 59 4XX 0.00446 0.00468 -0.00456 -0.00094 -0.00711 60 4YY -0.00018 -0.00179 0.00169 -0.00163 0.00517 61 4ZZ -0.00179 0.00543 -0.00411 0.00433 -0.00560 62 4XY 0.00009 -0.00541 -0.00045 0.00026 0.00213 63 4XZ -0.00102 -0.00107 0.00139 0.00030 -0.00300 64 4YZ 0.00242 -0.00588 -0.00567 -0.00455 -0.00410 65 5 C 1S 0.04454 -0.08571 -0.01679 -0.06471 0.03815 66 2S -0.09375 0.17474 0.02499 0.13773 -0.07693 67 2PX -0.05641 -0.02241 -0.07483 -0.00580 0.10377 68 2PY 0.04275 0.03124 -0.01064 -0.12187 -0.10511 69 2PZ -0.00688 -0.03508 0.13623 -0.03179 0.06469 70 3S -0.08665 0.17758 0.07799 0.13901 -0.10777 71 3PX -0.00915 -0.00405 -0.00802 -0.02197 0.03932 72 3PY 0.00971 0.01074 0.02007 -0.03852 -0.03557 73 3PZ -0.00753 0.00719 0.05548 -0.01426 0.01879 74 4XX 0.00168 -0.00472 -0.01030 -0.00242 0.00185 75 4YY 0.00443 0.00152 0.00419 -0.00422 -0.00380 76 4ZZ -0.00382 -0.00591 0.00214 0.00135 0.00740 77 4XY -0.00389 0.00094 -0.00501 0.00267 0.00350 78 4XZ 0.00265 -0.00255 0.00992 0.00480 -0.00073 79 4YZ 0.00087 0.00603 -0.00010 0.00077 -0.00653 80 6 C 1S -0.06157 -0.01317 -0.02439 0.06168 0.05376 81 2S 0.12446 0.02894 0.05122 -0.12454 -0.11373 82 2PX -0.09222 0.13089 0.06096 -0.08192 -0.04704 83 2PY -0.00209 -0.06273 -0.00683 -0.09494 0.09557 84 2PZ -0.06371 0.04038 0.05461 -0.10587 0.03667 85 3S 0.08390 0.00988 0.02504 -0.12052 -0.09374 86 3PX 0.01831 0.02288 -0.00159 -0.03190 -0.03197 87 3PY -0.01593 -0.01173 0.00998 -0.00833 0.00792 88 3PZ 0.00358 0.00522 0.01228 -0.02635 -0.01436 89 4XX 0.00271 -0.00103 -0.00376 0.00443 0.00425 90 4YY -0.00941 0.00393 0.00286 0.00386 -0.00103 91 4ZZ -0.00399 -0.00148 -0.00239 0.00107 0.00569 92 4XY 0.00024 -0.00263 0.00028 -0.00422 0.00518 93 4XZ 0.00550 -0.00184 0.00043 -0.00297 0.00391 94 4YZ -0.00271 0.00246 0.00034 -0.00496 -0.00109 95 7 C 1S 0.06375 -0.01410 -0.01374 0.06528 -0.06052 96 2S -0.12874 0.02798 0.02863 -0.13224 0.12657 97 2PX 0.04554 0.09989 -0.03672 0.03033 0.09349 98 2PY -0.11248 -0.10070 -0.01534 0.14046 -0.00559 99 2PZ -0.03843 -0.00175 -0.05855 0.08263 0.05120 100 3S -0.09128 0.02527 0.02296 -0.12210 0.10710 101 3PX -0.02028 0.02632 0.00147 -0.00226 0.02190 102 3PY 0.01388 -0.03051 -0.01241 0.04419 -0.03510 103 3PZ -0.00707 -0.00409 -0.01344 0.02290 -0.00716 104 4XX 0.00714 0.00309 -0.00261 0.00668 0.00229 105 4YY -0.00295 -0.00313 0.00205 0.00169 -0.00879 106 4ZZ 0.00692 -0.00009 -0.00223 0.00133 -0.00417 107 4XY 0.00513 0.00021 0.00110 -0.00308 0.00006 108 4XZ 0.00304 0.00260 -0.00408 -0.00311 0.00408 109 4YZ -0.00119 0.00057 0.00453 -0.00459 -0.00231 110 8 C 1S -0.04347 -0.06982 0.06407 -0.04194 -0.03358 111 2S 0.08412 0.13789 -0.13127 0.08559 0.06756 112 2PX 0.05979 -0.01678 0.02914 0.11916 -0.09457 113 2PY -0.03601 0.04878 0.01950 0.06104 0.12896 114 2PZ -0.01529 -0.03462 -0.13502 0.01474 -0.05044 115 3S 0.11617 0.14756 -0.12566 0.10340 0.08708 116 3PX 0.01466 0.00113 0.00478 0.04790 -0.03496 117 3PY -0.02148 0.00577 -0.00452 0.03380 0.05960 118 3PZ -0.01350 -0.01623 -0.04732 0.00778 -0.01487 119 4XX -0.00348 0.00040 0.00533 -0.00257 0.00481 120 4YY -0.00162 -0.00789 -0.00678 -0.00141 -0.00621 121 4ZZ 0.00312 0.00166 0.00427 0.00258 -0.00113 122 4XY 0.00259 0.00149 -0.00279 -0.00058 -0.00154 123 4XZ -0.00430 0.00353 -0.00555 -0.00676 0.00623 124 4YZ 0.00210 0.00417 0.00263 0.00534 0.00372 125 9 C 1S -0.01034 0.07918 0.07024 0.04245 0.06816 126 2S 0.02032 -0.15571 -0.14221 -0.08737 -0.13903 127 2PX 0.02589 0.01752 -0.03511 0.03651 -0.05809 128 2PY 0.05192 0.10975 -0.09374 0.03757 -0.04521 129 2PZ 0.00694 -0.00165 -0.07548 -0.00189 -0.08197 130 3S 0.00184 -0.14314 -0.11995 -0.06377 -0.13393 131 3PX 0.00582 -0.00164 -0.01284 0.00485 -0.02025 132 3PY 0.00551 0.01826 -0.02868 0.00753 -0.01616 133 3PZ 0.00952 -0.00251 -0.02985 -0.01484 -0.02962 134 4XX -0.00073 0.00567 0.00670 0.00241 0.00458 135 4YY 0.00109 0.00530 -0.00234 0.00425 0.00802 136 4ZZ -0.00038 -0.00196 0.00082 -0.00088 -0.00477 137 4XY 0.00034 -0.00296 0.00149 0.00244 -0.00021 138 4XZ -0.00196 -0.00384 -0.00252 -0.00435 -0.00213 139 4YZ -0.00460 -0.00536 0.00576 -0.00006 0.00490 140 10 H 1S -0.03376 -0.05457 0.06219 0.02915 0.11515 141 2S -0.00791 -0.01788 0.01836 0.01407 0.05859 142 11 H 1S -0.03159 0.06430 -0.00921 0.09823 -0.03355 143 2S -0.00659 0.02257 0.00076 0.03957 -0.00946 144 12 H 1S 0.02467 0.05156 -0.07887 0.07641 0.03552 145 2S 0.00445 0.01950 -0.03085 0.02931 0.00937 146 13 H 1S 0.00868 -0.06538 -0.08289 -0.03416 -0.10370 147 2S 0.00004 -0.02193 -0.03298 -0.00890 -0.05273 148 14 C 1S -0.10927 0.08388 0.04851 -0.05748 -0.05423 149 2S 0.21158 -0.16415 -0.09610 0.11436 0.11109 150 2PX 0.03937 0.00841 0.01822 -0.04572 -0.10328 151 2PY -0.01042 -0.01926 0.00016 -0.02664 0.04207 152 2PZ 0.01917 -0.00732 0.01625 -0.04481 -0.03959 153 3S 0.20316 -0.14119 -0.09381 0.10089 0.09637 154 3PX 0.00556 0.00911 0.00840 -0.01510 -0.05023 155 3PY -0.00123 -0.00873 -0.00383 -0.01429 0.02137 156 3PZ 0.00407 -0.00054 0.00495 -0.01685 -0.01721 157 4XX 0.00078 0.00211 0.00165 -0.00309 -0.00458 158 4YY -0.00130 -0.00077 -0.00114 0.00353 0.00458 159 4ZZ -0.00487 0.00351 0.00247 -0.00348 -0.00142 160 4XY -0.00339 0.00189 0.00138 -0.00347 -0.00068 161 4XZ 0.00691 -0.00387 -0.00097 -0.00011 -0.00008 162 4YZ 0.00448 -0.00493 -0.00335 0.00376 0.00568 163 15 H 1S 0.06174 -0.07076 -0.04123 0.05024 0.08856 164 2S 0.00815 -0.02455 -0.01220 0.02631 0.03344 165 16 H 1S 0.06772 -0.05532 -0.04504 0.07389 0.06410 166 2S 0.01516 -0.01751 -0.01779 0.03146 0.02994 167 17 C 1S 0.11837 0.07811 -0.00842 -0.06926 0.06060 168 2S -0.22891 -0.15296 0.01809 0.13863 -0.12407 169 2PX -0.02417 0.01864 -0.01014 -0.00215 0.07958 170 2PY 0.04114 0.00022 -0.00551 0.06640 -0.10375 171 2PZ 0.00464 0.00999 -0.01533 0.03133 -0.00492 172 3S -0.21836 -0.12239 0.02281 0.11940 -0.10563 173 3PX -0.00230 0.01127 -0.00643 -0.00100 0.03772 174 3PY 0.00736 -0.00651 -0.00043 0.02567 -0.04696 175 3PZ 0.00171 0.00257 -0.00375 0.01320 -0.00307 176 4XX 0.00197 0.00105 -0.00023 0.00227 -0.00135 177 4YY -0.00193 0.00060 0.00063 -0.00411 0.00352 178 4ZZ 0.00626 0.00307 0.00014 -0.00157 -0.00053 179 4XY 0.00477 0.00085 0.00010 -0.00013 -0.00308 180 4XZ -0.00572 -0.00522 -0.00018 0.00657 -0.00715 181 4YZ -0.00540 -0.00362 0.00135 0.00184 -0.00283 182 18 H 1S -0.07317 -0.05159 -0.00089 0.08368 -0.07364 183 2S -0.01687 -0.01685 -0.00329 0.03549 -0.03433 184 19 H 1S -0.06757 -0.06641 0.01083 0.06237 -0.09749 185 2S -0.00953 -0.02393 -0.00030 0.02851 -0.03967 26 27 28 29 30 O O O O O Eigenvalues -- -0.52901 -0.51213 -0.48955 -0.48692 -0.45918 1 1 S 1S -0.00820 0.01247 0.01663 -0.00434 0.00354 2 2S 0.03616 -0.05639 -0.07253 0.01844 -0.01597 3 2PX 0.02865 -0.01418 -0.01457 0.06396 -0.04622 4 2PY 0.00122 -0.05351 -0.01635 -0.04873 0.00055 5 2PZ -0.02835 -0.09685 0.02705 -0.04185 -0.02766 6 3S -0.08871 0.13255 0.18667 -0.04961 0.03814 7 3PX -0.07064 0.03443 0.03506 -0.16380 0.11978 8 3PY -0.00463 0.13787 0.04365 0.12722 -0.00246 9 3PZ 0.07181 0.24595 -0.07095 0.10648 0.07239 10 4S -0.04609 0.06963 0.06909 -0.00583 0.01377 11 4PX -0.01423 0.00062 0.00448 -0.05395 0.04055 12 4PY 0.00358 0.00995 -0.00967 0.03521 -0.01312 13 4PZ 0.01081 0.05547 -0.00329 0.02130 0.02261 14 5XX 0.01292 0.00035 0.00172 0.02228 -0.01278 15 5YY 0.00034 -0.00323 -0.00393 -0.01050 0.01092 16 5ZZ -0.00940 -0.00793 -0.00975 -0.00911 -0.00238 17 5XY 0.00592 -0.01393 -0.00445 -0.01856 0.00529 18 5XZ -0.01037 -0.02712 0.00408 -0.00371 -0.01135 19 5YZ -0.01378 -0.01434 -0.01132 0.00500 -0.00266 20 2 O 1S -0.02340 0.02183 0.04123 0.00894 -0.00263 21 2S 0.05128 -0.04751 -0.08889 -0.01703 0.00163 22 2PX -0.01708 0.01365 0.01263 -0.08056 0.06202 23 2PY 0.05034 -0.00456 -0.11972 0.01467 0.02415 24 2PZ -0.01002 0.10631 0.04469 0.06470 0.02639 25 3S 0.08805 -0.08030 -0.15805 -0.04783 0.02565 26 3PX -0.00685 0.00973 0.00685 -0.04679 0.03724 27 3PY 0.02241 0.00392 -0.05712 0.01451 0.01135 28 3PZ -0.00225 0.05636 0.01833 0.03410 0.01932 29 4XX -0.00054 0.00083 0.00147 0.00171 -0.00181 30 4YY -0.00472 -0.00379 0.00901 -0.00206 -0.00481 31 4ZZ -0.00068 0.00773 0.00167 0.00596 0.00062 32 4XY 0.00166 -0.00130 -0.00129 0.00596 -0.00472 33 4XZ -0.00092 0.00062 0.00045 -0.00349 0.00248 34 4YZ 0.00073 -0.00660 -0.00402 -0.00377 -0.00101 35 3 O 1S 0.01548 0.00800 0.02457 -0.00268 -0.00901 36 2S -0.03287 -0.01252 -0.05344 0.00979 0.01933 37 2PX -0.08784 -0.19989 -0.04345 -0.17837 0.01412 38 2PY -0.02478 -0.18141 0.01777 0.05754 -0.11136 39 2PZ 0.10968 0.03356 -0.01669 -0.02085 0.01417 40 3S -0.07002 -0.05383 -0.10782 -0.00068 0.03901 41 3PX -0.04439 -0.10466 -0.02748 -0.10457 0.01854 42 3PY -0.01479 -0.10223 0.01136 0.03823 -0.07233 43 3PZ 0.06172 0.01708 -0.01592 -0.01524 0.01568 44 4XX -0.00346 0.00305 0.00583 0.00222 -0.00159 45 4YY -0.00435 -0.00587 0.00348 0.00065 -0.00602 46 4ZZ 0.00922 0.00336 -0.00174 -0.00339 0.00298 47 4XY -0.00480 -0.00168 0.00081 -0.00978 0.00302 48 4XZ -0.00683 -0.00610 -0.00049 -0.00596 0.00150 49 4YZ 0.00069 -0.00574 0.00125 0.00467 -0.00521 50 4 C 1S 0.01486 0.00642 0.03637 -0.02204 -0.01062 51 2S -0.02863 -0.00970 -0.07302 0.04923 0.02111 52 2PX 0.05188 0.06881 0.02396 0.05481 0.09163 53 2PY 0.21258 -0.03527 0.08799 -0.05723 0.19263 54 2PZ -0.05814 0.02955 0.04860 0.20062 0.04239 55 3S -0.06477 -0.03304 -0.11150 0.04590 0.02796 56 3PX 0.01571 0.02404 0.00115 0.01539 0.03725 57 3PY 0.05418 -0.02963 0.01757 -0.03321 0.06231 58 3PZ -0.01511 0.01201 0.02121 0.07489 -0.00089 59 4XX 0.00030 0.00115 0.00308 -0.00079 0.00015 60 4YY -0.00285 -0.00209 -0.00585 0.00491 -0.00559 61 4ZZ -0.00156 0.00274 0.00678 -0.00533 -0.00125 62 4XY 0.00048 0.00350 -0.00193 0.00237 0.00296 63 4XZ -0.00212 -0.00219 0.00322 -0.00073 -0.00073 64 4YZ 0.00023 0.00158 0.00596 0.00142 0.00510 65 5 C 1S -0.00153 0.00411 -0.03742 0.02983 0.01425 66 2S -0.00637 -0.01067 0.07676 -0.06854 -0.03035 67 2PX 0.12906 0.17708 -0.05538 0.02051 0.04471 68 2PY 0.08855 -0.04467 -0.03218 0.20085 -0.00722 69 2PZ 0.10409 -0.10975 -0.10843 -0.09992 -0.00272 70 3S 0.04066 0.00489 0.14272 -0.06643 -0.04390 71 3PX 0.05868 0.07057 -0.02075 0.01041 0.00220 72 3PY 0.07565 -0.00926 0.01413 0.08518 -0.00069 73 3PZ 0.06747 -0.02549 -0.01775 -0.02685 -0.02643 74 4XX 0.00358 0.00908 -0.00594 0.00666 0.01049 75 4YY -0.00773 -0.00397 0.00099 0.00350 -0.00963 76 4ZZ -0.00032 -0.00072 -0.00036 -0.00492 0.00322 77 4XY 0.00410 0.00669 0.00470 0.00135 -0.00407 78 4XZ -0.00063 -0.00811 0.00204 -0.00763 0.00269 79 4YZ -0.00063 -0.00120 0.00911 -0.00724 -0.00038 80 6 C 1S 0.03810 0.00065 0.05850 -0.01745 -0.01822 81 2S -0.07702 0.00232 -0.12216 0.03778 0.04045 82 2PX 0.05740 -0.02293 0.10609 0.05308 -0.19260 83 2PY 0.00091 0.18195 -0.06134 -0.06320 -0.03748 84 2PZ 0.03455 0.03667 0.01746 -0.10237 -0.12635 85 3S -0.08773 -0.00665 -0.14009 0.02324 0.00844 86 3PX -0.01273 -0.03486 -0.05795 0.03767 -0.04108 87 3PY 0.01493 0.05350 0.00089 -0.01873 -0.00888 88 3PZ 0.00413 -0.00963 -0.04345 -0.03247 -0.01217 89 4XX 0.00590 0.00051 0.00045 0.00376 -0.00110 90 4YY -0.00207 0.00134 0.00741 -0.00672 -0.00372 91 4ZZ 0.00217 0.00045 0.00535 -0.00257 0.00005 92 4XY -0.00148 0.00115 0.00192 0.00186 0.00081 93 4XZ 0.00213 -0.00203 -0.00184 -0.00091 0.00182 94 4YZ -0.00424 0.00375 0.00455 -0.00022 -0.00145 95 7 C 1S 0.02624 -0.02179 -0.06011 0.01945 -0.00755 96 2S -0.05415 0.04649 0.12702 -0.04412 0.02018 97 2PX 0.02989 -0.11897 0.03277 0.14008 -0.03391 98 2PY -0.05170 0.01523 0.08741 0.00609 0.17464 99 2PZ -0.01106 -0.12855 0.06750 -0.01097 0.10031 100 3S -0.06159 0.06095 0.12957 -0.04505 -0.02745 101 3PX -0.00233 -0.02540 0.05618 0.03265 -0.03793 102 3PY 0.00234 -0.00513 -0.06467 0.01579 0.06816 103 3PZ -0.00571 -0.04117 -0.00150 -0.02095 0.03415 104 4XX 0.00047 0.00103 -0.00695 0.00309 -0.00239 105 4YY 0.00413 -0.00324 -0.00117 -0.00129 0.00079 106 4ZZ -0.00117 -0.00109 -0.00701 0.00113 -0.00077 107 4XY -0.00476 0.00119 -0.00466 0.00176 0.00154 108 4XZ -0.00395 -0.00093 -0.00525 -0.00372 0.00029 109 4YZ -0.00207 0.00195 -0.00060 0.00377 -0.00033 110 8 C 1S 0.00359 0.02397 0.04717 0.00479 0.00801 111 2S -0.01388 -0.05088 -0.09693 -0.01290 -0.01997 112 2PX -0.03076 0.13524 -0.12410 0.01485 0.01536 113 2PY -0.13376 -0.02520 -0.03461 0.13677 0.00973 114 2PZ -0.09837 -0.08084 -0.09936 -0.14206 0.00348 115 3S 0.01090 -0.05918 -0.15578 0.01437 -0.00528 116 3PX -0.03639 0.06392 -0.04848 -0.01258 -0.00148 117 3PY -0.07707 -0.00932 -0.00519 0.05117 0.03085 118 3PZ -0.07408 -0.03431 -0.02611 -0.07298 -0.00894 119 4XX -0.00296 0.00209 0.00558 0.00085 0.00244 120 4YY 0.00225 -0.00168 -0.00026 -0.00481 0.00729 121 4ZZ -0.00380 0.00464 -0.00158 0.00616 -0.00744 122 4XY 0.00057 -0.00179 -0.00783 -0.00077 -0.00309 123 4XZ -0.00244 -0.00653 -0.00180 -0.00035 -0.00400 124 4YZ 0.00065 -0.00236 -0.00986 0.00098 0.00309 125 9 C 1S 0.00399 -0.01290 -0.04149 0.00487 -0.00942 126 2S -0.01050 0.02611 0.08864 -0.00493 0.01588 127 2PX -0.04255 0.06324 -0.01175 -0.03559 -0.05805 128 2PY 0.04489 -0.06309 -0.06405 -0.19975 -0.06847 129 2PZ -0.20051 0.03370 0.07483 0.00580 -0.19766 130 3S -0.01980 0.04308 0.10801 -0.02920 0.03355 131 3PX -0.01085 0.02378 -0.00264 -0.00354 -0.01425 132 3PY 0.01395 -0.02155 -0.02214 -0.06604 -0.01114 133 3PZ -0.06818 0.00609 0.02938 0.02602 -0.08096 134 4XX -0.00143 -0.00123 -0.00193 0.00178 -0.00149 135 4YY -0.00421 -0.00367 -0.00875 0.00031 -0.00208 136 4ZZ -0.00022 0.00388 0.00619 0.00051 -0.00350 137 4XY -0.00034 0.00209 -0.00393 0.00192 0.00238 138 4XZ -0.00182 -0.00249 0.00410 0.00028 -0.00210 139 4YZ -0.00020 0.00002 -0.00231 0.00388 0.00635 140 10 H 1S -0.13056 0.00869 -0.08367 0.07228 -0.10385 141 2S -0.08700 0.00025 -0.05814 0.04103 -0.08354 142 11 H 1S -0.08653 0.01321 0.10229 -0.07624 -0.02168 143 2S -0.03519 0.00957 0.07744 -0.04365 -0.02329 144 12 H 1S -0.08907 -0.03632 -0.12676 -0.00104 0.00022 145 2S -0.03302 -0.02540 -0.08774 0.00772 -0.00257 146 13 H 1S -0.11177 0.04564 0.08908 0.01261 -0.10418 147 2S -0.07144 0.02895 0.05428 -0.00037 -0.07897 148 14 C 1S -0.03197 0.00555 -0.01529 -0.00193 -0.00265 149 2S 0.06621 -0.01104 0.03328 0.00361 0.00572 150 2PX -0.12867 0.00335 -0.16456 0.05278 0.21499 151 2PY 0.03606 0.11880 -0.05926 -0.07711 -0.10965 152 2PZ -0.06425 0.05518 -0.14850 -0.04570 0.08398 153 3S 0.06137 -0.03758 -0.02254 0.02096 0.01766 154 3PX -0.04630 -0.00595 -0.07514 0.02289 0.07857 155 3PY 0.00756 0.05288 -0.02811 -0.03446 -0.04760 156 3PZ -0.02779 0.01798 -0.06828 -0.02105 0.02350 157 4XX -0.00313 0.00123 -0.00436 0.00258 0.00199 158 4YY 0.00591 -0.00087 0.00808 -0.00209 -0.00935 159 4ZZ -0.00134 -0.00101 0.00033 -0.00102 0.00061 160 4XY -0.00209 0.00045 0.00000 0.00207 0.00360 161 4XZ -0.00190 -0.00084 -0.00287 0.00030 0.00419 162 4YZ 0.00454 -0.00011 0.00658 0.00050 -0.00409 163 15 H 1S 0.08478 0.04544 0.03756 -0.05253 -0.12644 164 2S 0.05370 0.02795 0.02610 -0.03699 -0.09900 165 16 H 1S 0.05966 -0.06588 0.12441 0.03476 -0.02977 166 2S 0.02810 -0.03714 0.08425 0.01647 -0.03008 167 17 C 1S -0.02486 0.01442 0.00943 -0.00865 -0.00143 168 2S 0.05097 -0.02952 -0.01984 0.01880 0.00342 169 2PX -0.06142 -0.05416 0.11642 0.05612 0.16132 170 2PY 0.09775 -0.09277 -0.15026 0.11616 -0.14252 171 2PZ 0.01011 -0.10598 -0.00253 0.06382 0.04324 172 3S 0.05099 -0.03299 0.04093 0.01682 -0.01732 173 3PX -0.01842 -0.02621 0.05092 0.02845 0.06350 174 3PY 0.03558 -0.03489 -0.06993 0.04824 -0.03650 175 3PZ 0.00634 -0.04491 -0.00006 0.03062 0.02366 176 4XX 0.00271 -0.00074 -0.00425 0.00245 -0.00653 177 4YY -0.00286 0.00060 0.00462 -0.00247 0.00360 178 4ZZ 0.00096 -0.00084 -0.00284 0.00252 -0.00277 179 4XY 0.00157 -0.00195 -0.00384 0.00174 -0.00063 180 4XZ 0.00462 -0.00359 -0.00630 0.00151 -0.00522 181 4YZ 0.00058 -0.00013 -0.00047 0.00320 0.00116 182 18 H 1S 0.04591 -0.09248 -0.04454 0.08599 -0.00195 183 2S 0.02111 -0.05412 -0.03730 0.05303 -0.00799 184 19 H 1S 0.06697 0.01841 -0.09066 -0.01240 -0.12111 185 2S 0.04312 0.01191 -0.06217 -0.00785 -0.09247 31 32 33 34 35 O O O O O Eigenvalues -- -0.44193 -0.43681 -0.41908 -0.41337 -0.40018 1 1 S 1S -0.00990 0.00690 0.00379 0.00450 0.00013 2 2S 0.04190 -0.02874 -0.01704 -0.02212 -0.00395 3 2PX 0.08041 -0.06858 -0.00387 -0.10376 -0.03742 4 2PY 0.08125 -0.04040 0.02309 0.03199 0.05524 5 2PZ -0.04070 0.03551 -0.01319 -0.07158 -0.06053 6 3S -0.11987 0.08471 0.04070 0.04104 -0.01341 7 3PX -0.20899 0.17936 0.00921 0.27110 0.09744 8 3PY -0.21448 0.10734 -0.06113 -0.08591 -0.14783 9 3PZ 0.10954 -0.09434 0.03492 0.18931 0.16070 10 4S -0.01315 -0.00149 0.02124 0.05621 0.06996 11 4PX -0.06371 0.05966 0.00649 0.10331 0.04256 12 4PY -0.01413 0.01837 -0.02384 -0.01188 -0.00151 13 4PZ 0.02462 0.00867 0.01883 0.04171 0.02059 14 5XX 0.02182 -0.01700 0.00667 -0.00925 -0.00167 15 5YY -0.00565 0.01598 0.00903 0.01111 -0.00038 16 5ZZ -0.00107 -0.00897 -0.01767 -0.00569 0.00593 17 5XY 0.01002 0.01092 0.00503 0.02051 0.00036 18 5XZ 0.00554 0.01069 -0.00799 -0.02648 -0.00909 19 5YZ 0.01961 -0.00856 -0.00344 0.00931 0.04447 20 2 O 1S -0.05689 0.03408 -0.00787 -0.02489 -0.03346 21 2S 0.11937 -0.07236 0.01351 0.04978 0.06781 22 2PX -0.11542 0.10689 0.01118 0.18381 0.04071 23 2PY 0.22381 -0.13568 0.03855 0.16298 0.24065 24 2PZ -0.11362 0.07637 -0.00244 0.00431 -0.04333 25 3S 0.23868 -0.13791 0.04706 0.11401 0.13988 26 3PX -0.06584 0.06272 0.00909 0.11704 0.02438 27 3PY 0.11065 -0.06938 0.01946 0.09017 0.13628 28 3PZ -0.05486 0.03713 0.00481 0.01363 -0.01284 29 4XX -0.00120 0.00055 -0.00104 -0.00070 -0.00037 30 4YY -0.01411 0.00850 -0.00427 -0.01461 -0.01692 31 4ZZ -0.00505 0.00278 -0.00141 0.00197 0.00156 32 4XY 0.00866 -0.00768 -0.00112 -0.01344 -0.00358 33 4XZ -0.00500 0.00454 -0.00004 0.00775 0.00183 34 4YZ 0.00807 -0.00484 0.00027 0.00179 0.00543 35 3 O 1S 0.02656 0.00539 0.01356 -0.02003 -0.01326 36 2S -0.06408 -0.01663 -0.02942 0.04278 0.02901 37 2PX 0.02897 -0.09325 0.02712 0.04799 0.16378 38 2PY 0.11544 0.00149 -0.09320 -0.17458 -0.03005 39 2PZ 0.20932 0.10486 0.14267 0.00587 -0.09951 40 3S -0.08828 0.00187 -0.05398 0.08984 0.04697 41 3PX 0.00656 -0.05101 0.01684 0.04059 0.11233 42 3PY 0.06743 0.01254 -0.06214 -0.11481 -0.02857 43 3PZ 0.13887 0.07084 0.09643 0.00915 -0.06910 44 4XX -0.00664 -0.00116 -0.00276 0.00024 0.00308 45 4YY -0.00131 -0.00646 -0.00351 -0.01133 -0.00151 46 4ZZ 0.01243 0.00381 0.01061 0.00083 -0.00479 47 4XY -0.00434 -0.00456 0.00272 0.00139 0.00433 48 4XZ -0.00336 -0.00915 -0.00088 0.00322 0.00965 49 4YZ 0.00819 -0.00002 -0.00158 -0.00572 -0.00170 50 4 C 1S 0.01057 -0.00949 0.02130 0.00355 0.00139 51 2S -0.02079 0.02034 -0.04289 -0.01655 -0.00442 52 2PX 0.00170 -0.02443 -0.01018 -0.01639 0.03889 53 2PY -0.03249 0.06883 -0.06796 -0.13294 0.16738 54 2PZ -0.10185 -0.07559 -0.11095 0.01317 0.11612 55 3S -0.03841 0.05308 -0.06236 0.00479 -0.03291 56 3PX 0.01397 0.00085 0.00893 0.00080 0.00628 57 3PY -0.02132 0.04095 -0.02932 -0.03455 0.04539 58 3PZ -0.02217 -0.00259 -0.03201 0.00014 0.05241 59 4XX 0.00236 -0.00153 0.00142 -0.00036 0.00252 60 4YY -0.00438 -0.00482 -0.00372 0.00520 -0.01146 61 4ZZ 0.00415 0.00353 0.00686 -0.00484 0.00303 62 4XY 0.00021 -0.00499 -0.00037 -0.00013 -0.00292 63 4XZ 0.00074 -0.00022 -0.00142 -0.00268 0.00606 64 4YZ -0.00590 -0.00735 -0.00274 -0.00369 0.00687 65 5 C 1S -0.02198 -0.01734 -0.00484 0.02616 -0.01648 66 2S 0.04371 0.04358 0.01284 -0.05545 0.03044 67 2PX 0.00670 0.10650 0.09084 0.02391 -0.15956 68 2PY 0.04141 0.19705 -0.09130 0.06938 -0.02344 69 2PZ 0.09943 0.19280 0.04058 0.00984 -0.03988 70 3S 0.10991 0.06494 -0.01874 -0.09022 0.09069 71 3PX -0.01563 0.03344 0.04702 0.02279 -0.04650 72 3PY 0.03818 0.07551 -0.06711 0.02426 0.00180 73 3PZ 0.06992 0.07988 0.02457 0.00281 -0.00775 74 4XX 0.00109 0.00415 0.00497 0.00653 -0.00837 75 4YY 0.00202 -0.00457 -0.00216 0.00010 0.00191 76 4ZZ -0.00768 -0.00355 -0.00380 -0.00445 0.00408 77 4XY 0.00103 -0.00376 0.00104 -0.00665 -0.00392 78 4XZ 0.00742 -0.00731 0.00218 -0.00676 0.00304 79 4YZ -0.00384 -0.00983 0.00019 -0.00065 0.01301 80 6 C 1S 0.00958 -0.01089 -0.01432 -0.01501 -0.00489 81 2S -0.01836 0.02190 0.03234 0.03601 0.01100 82 2PX 0.02506 0.09424 -0.08878 0.10162 0.10413 83 2PY -0.04791 -0.04954 0.07622 -0.01867 -0.02173 84 2PZ -0.04234 0.05648 0.00782 0.08773 0.08435 85 3S -0.03579 0.07662 0.04441 0.06725 0.03203 86 3PX -0.05770 0.00325 0.03415 0.00993 -0.00599 87 3PY 0.02672 0.01347 -0.00780 -0.02832 -0.00529 88 3PZ -0.04597 0.02098 0.03145 0.01575 0.01698 89 4XX 0.00069 0.00278 0.00470 -0.00223 -0.00267 90 4YY 0.00486 0.00066 -0.00608 -0.00154 0.00687 91 4ZZ -0.00233 -0.00272 -0.00087 0.00550 -0.00284 92 4XY -0.00081 -0.00777 -0.00005 0.00810 -0.00402 93 4XZ -0.00199 -0.00117 0.00449 0.00488 -0.00227 94 4YZ 0.00010 -0.00371 -0.00368 0.00662 -0.00040 95 7 C 1S -0.01023 0.00742 -0.00298 -0.02047 0.00004 96 2S 0.01970 -0.01075 0.00789 0.04739 0.00244 97 2PX -0.07806 -0.06621 0.11574 -0.02501 0.03051 98 2PY 0.18628 0.03995 -0.09428 -0.11754 -0.04106 99 2PZ -0.02382 0.01928 0.02888 -0.03076 -0.05049 100 3S 0.00758 -0.06771 0.01112 0.09758 0.00356 101 3PX 0.02905 0.01402 -0.01155 -0.00714 0.02662 102 3PY 0.00807 -0.01637 0.04336 -0.04247 -0.03839 103 3PZ -0.02417 0.02607 0.00991 0.00569 -0.01576 104 4XX -0.00247 -0.00558 -0.00219 -0.00411 0.00021 105 4YY 0.00076 0.00292 0.00067 0.00425 0.00078 106 4ZZ -0.00293 0.00330 0.00251 -0.00133 -0.00015 107 4XY -0.00143 0.00621 0.00635 -0.00065 0.00614 108 4XZ -0.00634 0.00058 0.00106 0.00030 0.00086 109 4YZ 0.00221 0.00542 0.00555 0.00286 0.00437 110 8 C 1S 0.01809 0.01931 0.01943 0.00424 0.01276 111 2S -0.03656 -0.04486 -0.04192 -0.00933 -0.02662 112 2PX 0.13273 0.06304 -0.10921 -0.00607 0.07501 113 2PY 0.01498 0.17821 -0.04003 -0.05759 0.19530 114 2PZ -0.00656 0.18600 -0.09949 -0.02025 -0.04390 115 3S -0.09538 -0.08547 -0.03224 -0.01564 -0.06711 116 3PX 0.06393 0.02926 -0.08329 0.01745 0.05747 117 3PY 0.00969 0.07329 -0.01906 -0.03879 0.11259 118 3PZ 0.00964 0.08549 -0.06548 -0.00833 -0.01769 119 4XX -0.00432 -0.00056 0.00363 0.00645 0.00548 120 4YY 0.00178 0.00123 -0.00573 -0.00437 -0.00200 121 4ZZ 0.00638 0.00050 0.00127 -0.00314 0.00212 122 4XY -0.00707 0.00574 -0.00732 -0.00111 0.00320 123 4XZ -0.00268 0.00558 0.00046 -0.00039 0.00165 124 4YZ 0.00144 0.00795 -0.00755 -0.00080 0.00796 125 9 C 1S 0.00061 0.01260 -0.00485 0.01201 -0.00436 126 2S -0.00488 -0.02576 0.00239 -0.03257 0.00291 127 2PX 0.11711 0.00034 0.07286 0.03989 -0.05685 128 2PY -0.00573 -0.05718 0.02994 0.04150 -0.23040 129 2PZ 0.11976 0.10821 0.15998 0.04836 -0.01454 130 3S 0.01784 -0.06220 0.03591 -0.02722 0.03866 131 3PX 0.05638 0.00277 0.02736 0.01159 -0.02231 132 3PY 0.00465 0.00267 0.01548 0.00889 -0.07090 133 3PZ 0.02338 0.04770 0.04461 0.00346 -0.02154 134 4XX -0.00096 0.00202 -0.00163 0.00055 0.00207 135 4YY -0.00535 -0.00268 -0.00615 0.00187 -0.00652 136 4ZZ 0.01009 0.00519 0.00911 -0.00209 0.00191 137 4XY 0.00194 0.00019 -0.00551 -0.00074 0.00260 138 4XZ -0.00178 0.00495 0.00172 -0.00220 0.00299 139 4YZ -0.00165 0.00674 -0.00623 -0.00333 0.00662 140 10 H 1S -0.00684 -0.04043 0.00231 0.08255 -0.10638 141 2S -0.00732 -0.03502 0.00535 0.07822 -0.10147 142 11 H 1S -0.03273 -0.16571 0.00492 -0.06493 0.08479 143 2S -0.02410 -0.14164 -0.00419 -0.03423 0.07171 144 12 H 1S 0.01237 0.14841 -0.10386 -0.03942 0.07716 145 2S 0.00918 0.12609 -0.06015 -0.02527 0.06595 146 13 H 1S 0.09278 0.05907 0.11469 0.01430 0.01411 147 2S 0.08114 0.05554 0.10191 0.01997 0.01752 148 14 C 1S 0.00007 -0.00276 -0.01352 0.00562 0.01135 149 2S 0.00169 0.00826 0.02921 -0.01047 -0.02300 150 2PX -0.00375 -0.09103 0.05525 -0.04507 -0.12892 151 2PY -0.06246 0.05002 0.10550 -0.22514 0.14733 152 2PZ -0.05149 -0.01917 0.11020 -0.14842 0.01749 153 3S -0.05259 -0.01390 0.08320 -0.03276 -0.05696 154 3PX -0.01969 -0.05291 0.02097 -0.02644 -0.05868 155 3PY -0.03212 0.01686 0.04523 -0.08188 0.05802 156 3PZ -0.03379 -0.01877 0.04712 -0.05902 0.00051 157 4XX -0.00066 -0.00040 0.00189 -0.00488 0.00102 158 4YY 0.00087 0.00341 -0.00304 0.00109 0.00585 159 4ZZ 0.00019 -0.00040 -0.00191 0.00656 -0.00224 160 4XY 0.00172 -0.00352 -0.00318 0.01068 -0.00811 161 4XZ -0.00025 -0.00173 0.00056 0.00313 -0.00392 162 4YZ 0.00140 -0.00002 -0.00391 0.00736 -0.00209 163 15 H 1S -0.03050 0.05942 0.04118 -0.11244 0.11810 164 2S -0.01954 0.04114 0.01095 -0.09522 0.10361 165 16 H 1S 0.04550 0.00356 -0.08776 0.16586 -0.05692 166 2S 0.02984 -0.00903 -0.07871 0.14104 -0.04418 167 17 C 1S -0.00628 0.00322 0.00768 -0.00316 0.00999 168 2S 0.01018 -0.00827 -0.01465 0.00797 -0.02365 169 2PX 0.07548 0.06443 0.18356 -0.04282 0.01893 170 2PY -0.16809 -0.04138 0.15906 0.04349 0.05623 171 2PZ -0.07161 0.04111 0.21550 0.01867 0.02008 172 3S 0.06107 0.02336 -0.07755 0.00786 -0.00439 173 3PX 0.03606 0.02850 0.06668 -0.02366 0.02130 174 3PY -0.07406 -0.04031 0.07957 0.02991 0.00479 175 3PZ -0.03293 0.01033 0.09368 0.00942 -0.00339 176 4XX -0.00430 -0.00353 -0.00518 -0.00022 0.00072 177 4YY 0.00086 0.00264 0.00322 0.00095 -0.00084 178 4ZZ -0.00367 0.00002 0.00520 0.00068 0.00154 179 4XY -0.00354 0.00196 0.00995 0.00161 0.00201 180 4XZ -0.00602 -0.00099 0.00097 0.00152 0.00015 181 4YZ 0.00061 0.00173 0.00846 0.00026 0.00250 182 18 H 1S -0.07118 0.01617 0.19015 0.01914 0.02946 183 2S -0.05721 0.02358 0.15326 0.01116 0.03681 184 19 H 1S -0.05152 -0.05465 -0.12839 0.02111 -0.00989 185 2S -0.04599 -0.03806 -0.09476 0.00110 0.00436 36 37 38 39 40 O O O O O Eigenvalues -- -0.38345 -0.36507 -0.35676 -0.32666 -0.29967 1 1 S 1S -0.00630 0.00620 -0.00131 0.00502 -0.00392 2 2S 0.02976 -0.02736 0.00465 -0.01979 0.02021 3 2PX 0.05587 -0.04625 0.00612 0.05158 -0.00038 4 2PY -0.05909 0.06665 0.02262 0.01303 -0.01013 5 2PZ 0.00374 0.04649 0.06375 -0.01430 0.02016 6 3S -0.06281 0.06951 -0.01665 0.06454 -0.03447 7 3PX -0.14687 0.12244 -0.01476 -0.13993 0.00319 8 3PY 0.15902 -0.17905 -0.05889 -0.03673 0.02398 9 3PZ -0.01019 -0.12540 -0.17232 0.03822 -0.05712 10 4S -0.07658 0.03049 0.00554 0.00518 -0.08107 11 4PX -0.05153 0.05900 -0.02411 -0.05763 0.01006 12 4PY 0.00951 -0.03745 -0.04424 0.00105 0.04877 13 4PZ 0.00862 -0.02767 -0.05780 0.06494 0.07511 14 5XX -0.00923 0.01441 -0.00720 0.00410 -0.00765 15 5YY 0.03331 -0.00784 -0.02090 0.01357 0.08154 16 5ZZ -0.02110 -0.01048 0.02550 -0.01764 -0.07261 17 5XY -0.03011 0.02736 -0.00738 0.00273 0.03083 18 5XZ 0.00370 -0.00591 0.00914 0.01847 0.02702 19 5YZ 0.01367 -0.00879 -0.02568 0.00429 0.03782 20 2 O 1S 0.01666 -0.00867 0.00479 -0.00586 0.00300 21 2S -0.03630 0.01583 -0.01010 0.01305 -0.00951 22 2PX -0.13705 0.13864 -0.05001 -0.11957 0.04495 23 2PY -0.05829 -0.00880 -0.14293 0.03553 0.13941 24 2PZ 0.15824 -0.16679 -0.17591 0.05494 0.38927 25 3S -0.06322 0.04718 -0.01836 0.03457 0.00434 26 3PX -0.09055 0.09375 -0.03443 -0.07446 0.03009 27 3PY -0.02461 -0.01468 -0.09223 0.01632 0.10372 28 3PZ 0.10459 -0.10633 -0.12317 0.03740 0.28288 29 4XX -0.00177 0.00061 0.00036 -0.00197 -0.00169 30 4YY -0.00062 0.00458 0.01389 -0.00196 -0.01828 31 4ZZ 0.00774 -0.01167 -0.01296 0.00308 0.01876 32 4XY 0.00919 -0.00982 0.00287 0.00852 -0.00169 33 4XZ -0.00601 0.00442 -0.00255 -0.00377 0.00268 34 4YZ -0.00893 0.00873 0.00810 -0.00339 -0.01616 35 3 O 1S -0.02364 0.04174 0.02662 0.01374 0.00244 36 2S 0.05037 -0.09115 -0.05439 -0.02914 -0.01458 37 2PX 0.16871 -0.06368 0.00331 -0.09367 0.11155 38 2PY -0.14426 0.00096 -0.01007 0.06030 0.10384 39 2PZ 0.00223 0.28464 0.04649 0.20956 0.22638 40 3S 0.10941 -0.17576 -0.14964 -0.03966 0.04504 41 3PX 0.11154 -0.04062 -0.00134 -0.06584 0.09435 42 3PY -0.10099 0.00109 -0.00698 0.04560 0.08291 43 3PZ 0.00515 0.19983 0.02010 0.15249 0.18164 44 4XX -0.00809 0.00197 0.00200 -0.00190 -0.00568 45 4YY -0.00176 -0.00252 0.00660 0.00084 -0.00364 46 4ZZ 0.00245 0.01541 0.00407 0.00817 0.00560 47 4XY 0.00680 0.00080 0.00304 0.00053 0.00082 48 4XZ 0.00379 -0.00428 0.00052 -0.00215 0.00388 49 4YZ -0.00661 0.00412 -0.00226 0.00899 0.00989 50 4 C 1S 0.00022 0.00760 -0.00686 0.01119 0.00183 51 2S -0.00047 -0.01284 0.01948 -0.02811 -0.00378 52 2PX -0.01199 0.07642 0.14621 -0.00566 -0.03358 53 2PY 0.14007 0.00302 0.04411 -0.00762 0.00214 54 2PZ -0.11865 0.06509 0.00331 0.15004 0.05836 55 3S 0.02972 -0.03963 -0.00087 -0.05396 -0.00878 56 3PX 0.00567 0.05297 0.07639 -0.01193 -0.01197 57 3PY 0.06022 -0.01007 -0.00304 -0.00335 -0.00892 58 3PZ -0.03318 0.03293 -0.00740 0.07687 0.03109 59 4XX 0.00043 -0.00029 0.00181 -0.00034 -0.00291 60 4YY -0.01447 -0.00436 -0.00493 0.00070 0.00358 61 4ZZ 0.01070 0.00452 0.00053 -0.00114 -0.00108 62 4XY -0.00405 0.00184 0.00515 -0.00058 0.00132 63 4XZ 0.00253 -0.00290 0.00050 -0.00304 -0.00355 64 4YZ 0.00091 0.00252 0.00402 0.00522 0.00479 65 5 C 1S 0.00707 -0.01405 0.00414 0.00576 0.00029 66 2S -0.00931 0.02683 -0.01281 -0.01413 -0.00678 67 2PX 0.04115 0.09072 0.07700 0.02521 -0.03262 68 2PY -0.14516 -0.00490 -0.12525 -0.03750 -0.04418 69 2PZ 0.16356 -0.10148 -0.08180 -0.14288 -0.07341 70 3S -0.06718 0.04716 -0.01551 -0.03190 0.01205 71 3PX 0.02648 0.03120 0.05368 -0.00349 -0.01174 72 3PY -0.10040 0.00137 -0.04159 -0.01985 -0.00148 73 3PZ 0.05941 -0.02012 -0.01843 -0.03096 -0.01541 74 4XX 0.00331 0.00887 -0.00325 0.00949 -0.00293 75 4YY -0.00842 -0.00130 0.00455 -0.00162 0.00745 76 4ZZ 0.00546 -0.00840 0.00129 -0.00379 -0.00455 77 4XY -0.00534 0.00574 0.00358 0.01072 0.00631 78 4XZ 0.00342 0.00703 0.00877 -0.00447 0.01004 79 4YZ 0.00234 0.00166 0.00591 0.01029 0.00349 80 6 C 1S -0.00146 0.01248 -0.01386 0.00068 0.00062 81 2S 0.00258 -0.01866 0.03234 -0.00325 0.00562 82 2PX -0.09657 -0.06431 0.10143 -0.10431 0.09367 83 2PY 0.02780 0.00109 0.22882 -0.01504 0.11961 84 2PZ 0.05221 -0.11658 0.05470 0.22413 -0.10845 85 3S -0.02385 -0.10512 0.07482 0.00411 -0.05027 86 3PX 0.01030 0.02667 0.02748 -0.07419 0.04167 87 3PY -0.05570 -0.00436 0.09954 -0.02776 0.05402 88 3PZ 0.03474 -0.02488 -0.00950 0.11018 -0.08311 89 4XX -0.00075 0.00529 -0.00555 -0.00045 -0.00545 90 4YY -0.00200 -0.00506 0.00117 -0.00543 0.00354 91 4ZZ 0.00158 0.00213 0.00362 0.00491 0.00294 92 4XY 0.00822 0.00050 0.01099 0.00198 0.00116 93 4XZ 0.00711 0.00228 0.00310 -0.00532 0.00142 94 4YZ -0.00157 -0.00033 0.00776 0.00908 -0.00014 95 7 C 1S -0.00425 -0.00535 -0.01117 -0.00076 0.00191 96 2S 0.00355 0.01735 0.02625 -0.00597 -0.00514 97 2PX 0.07070 0.17430 -0.06849 -0.20609 -0.00044 98 2PY -0.08149 -0.05035 -0.09444 -0.15791 0.01512 99 2PZ -0.03684 0.08409 -0.21851 0.13588 -0.09545 100 3S 0.05611 -0.00111 0.08155 0.03296 -0.02438 101 3PX -0.02253 -0.00342 -0.00082 -0.11120 -0.02106 102 3PY -0.00354 0.04275 -0.00503 -0.08027 -0.00858 103 3PZ -0.04328 0.01466 -0.07569 0.08802 -0.09161 104 4XX 0.00745 0.00919 -0.00649 0.00172 -0.00902 105 4YY -0.00525 -0.00936 0.00048 -0.00145 0.00056 106 4ZZ -0.00278 0.00074 0.00721 -0.00174 0.00845 107 4XY 0.00292 -0.00557 0.00884 0.00629 0.00047 108 4XZ 0.00237 0.00684 0.00297 -0.00278 0.00307 109 4YZ -0.00315 -0.00665 0.00899 0.00477 -0.00161 110 8 C 1S 0.00607 -0.01765 0.00386 0.01466 0.01380 111 2S -0.01314 0.03024 -0.00876 -0.02954 -0.02434 112 2PX -0.03273 -0.18738 0.12493 0.02829 -0.07372 113 2PY 0.15626 0.16502 0.04641 0.02406 -0.04757 114 2PZ -0.06953 -0.02584 0.10519 0.08384 0.16525 115 3S -0.01507 0.13394 -0.04031 -0.07798 -0.10492 116 3PX -0.02772 -0.13997 0.07256 -0.00724 -0.10473 117 3PY 0.12237 0.03685 -0.01551 0.00694 0.03099 118 3PZ -0.05582 -0.03277 0.05679 0.05629 0.07070 119 4XX 0.00134 0.00289 -0.00614 0.00578 -0.00658 120 4YY -0.00655 -0.00597 0.00531 -0.00264 0.00570 121 4ZZ 0.00703 -0.00124 0.00257 -0.00034 -0.00097 122 4XY 0.00419 -0.00257 0.00341 0.00735 0.00712 123 4XZ 0.00368 0.00829 0.00846 -0.00538 0.00520 124 4YZ -0.00229 0.00447 0.00916 0.00814 -0.00319 125 9 C 1S -0.00173 0.00745 -0.00322 0.00340 -0.01452 126 2S 0.00056 -0.01856 0.01094 -0.01182 0.03301 127 2PX -0.00996 -0.04435 0.06896 -0.09674 -0.10772 128 2PY -0.10688 -0.12462 -0.06927 -0.04988 0.09002 129 2PZ 0.12476 0.04266 -0.10727 -0.01523 -0.03896 130 3S 0.01786 -0.05163 -0.00684 -0.00984 0.08444 131 3PX -0.00892 -0.01636 0.04738 -0.06662 -0.06015 132 3PY -0.00240 -0.06244 -0.03962 -0.01840 0.07677 133 3PZ 0.05332 0.02690 -0.04264 -0.00517 -0.01264 134 4XX 0.00073 -0.00104 -0.00240 0.00253 -0.00106 135 4YY -0.00911 -0.00067 0.00194 0.00255 0.00593 136 4ZZ 0.01180 0.00179 -0.00151 -0.00734 -0.00696 137 4XY -0.00363 -0.00533 0.00199 0.00157 0.00154 138 4XZ 0.00743 0.00093 -0.00349 -0.00099 0.00022 139 4YZ 0.00103 0.00319 0.00785 0.00261 0.00201 140 10 H 1S -0.11804 -0.01363 -0.03871 0.01229 0.01277 141 2S -0.11159 -0.01471 -0.04463 0.01684 0.01430 142 11 H 1S -0.01610 0.04042 0.08515 0.07856 0.07663 143 2S -0.01377 0.02944 0.09984 0.08534 0.09069 144 12 H 1S 0.02226 0.03251 0.11383 0.05088 0.02976 145 2S 0.01607 0.03342 0.12483 0.05864 0.04968 146 13 H 1S 0.10291 0.02631 -0.04663 -0.03788 -0.05402 147 2S 0.09988 0.02477 -0.04908 -0.03724 -0.06515 148 14 C 1S -0.00471 -0.00740 0.00753 0.00523 0.00429 149 2S 0.00925 0.01463 -0.01525 -0.01223 -0.00817 150 2PX 0.06061 0.09836 -0.00469 -0.09787 0.06037 151 2PY -0.16245 0.00702 -0.07065 -0.09606 0.06749 152 2PZ -0.00590 0.02759 -0.13411 0.09413 -0.11873 153 3S 0.05153 0.06529 -0.04226 -0.02703 -0.01690 154 3PX 0.03533 0.07151 -0.00531 -0.06251 0.04667 155 3PY -0.04908 -0.00507 -0.01794 -0.05634 0.04795 156 3PZ 0.02133 0.02019 -0.06833 0.07197 -0.07722 157 4XX -0.00438 0.00188 -0.00028 -0.00774 0.00534 158 4YY -0.00319 -0.00289 -0.00018 0.00002 0.00050 159 4ZZ 0.00555 -0.00275 0.00332 0.00897 -0.00398 160 4XY 0.00894 -0.00015 0.01256 0.00082 0.00372 161 4XZ 0.00529 -0.00068 0.00212 0.00463 -0.00230 162 4YZ 0.00273 -0.00121 0.00827 0.00053 0.00315 163 15 H 1S -0.10714 -0.01779 -0.06840 -0.02074 -0.00117 164 2S -0.10094 -0.00139 -0.07695 -0.02289 -0.00322 165 16 H 1S 0.07351 -0.03161 0.10001 0.03069 0.00758 166 2S 0.07548 -0.03031 0.10817 0.04314 0.01738 167 17 C 1S 0.00844 0.01193 0.00940 0.00416 0.00324 168 2S -0.01700 -0.02280 -0.01840 -0.01187 -0.00832 169 2PX -0.12138 -0.17131 0.07606 -0.08464 0.04187 170 2PY 0.07440 0.03849 0.11198 -0.04789 0.04018 171 2PZ -0.06751 -0.09748 0.04604 0.16490 -0.04367 172 3S -0.05052 -0.08528 -0.04788 -0.01484 0.00575 173 3PX -0.04818 -0.06084 0.02143 -0.05941 0.04469 174 3PY 0.05177 0.03587 0.05459 -0.03516 0.02215 175 3PZ -0.01914 -0.01667 0.00663 0.10173 -0.02793 176 4XX 0.00763 0.01177 -0.00463 -0.00634 -0.00059 177 4YY -0.00347 -0.00594 0.00221 0.00824 -0.00139 178 4ZZ 0.00008 -0.00162 0.00602 -0.00191 0.00247 179 4XY -0.00366 -0.00922 0.00786 0.00703 0.00019 180 4XZ 0.00228 0.00401 -0.00109 0.00385 -0.00125 181 4YZ -0.00399 -0.01040 0.01058 -0.00294 0.00325 182 18 H 1S -0.03848 -0.09407 0.09689 0.03022 0.01281 183 2S -0.03884 -0.09740 0.10910 0.03843 0.01458 184 19 H 1S 0.09228 0.13569 -0.05955 -0.02203 -0.01011 185 2S 0.07821 0.14452 -0.06981 -0.02791 -0.00631 41 42 43 44 45 O O O O V Eigenvalues -- -0.29317 -0.27274 -0.24799 -0.22484 -0.04395 1 1 S 1S 0.00538 -0.01510 -0.01128 0.01097 0.00219 2 2S -0.02526 0.06969 0.05758 -0.05687 -0.01219 3 2PX -0.01600 0.02838 0.04929 -0.10019 -0.00060 4 2PY 0.00939 -0.03867 -0.02758 0.04368 0.01310 5 2PZ -0.02860 0.03172 0.02101 0.02034 0.04308 6 3S 0.05395 -0.16324 -0.10587 0.10209 0.01853 7 3PX 0.04063 -0.07620 -0.13614 0.28091 -0.00008 8 3PY -0.02769 0.10363 0.07180 -0.11969 -0.03455 9 3PZ 0.07707 -0.08726 -0.05563 -0.06456 -0.12427 10 4S 0.09627 -0.19639 -0.26746 0.26895 0.07112 11 4PX 0.03075 0.00240 0.00219 0.07548 0.01455 12 4PY 0.12397 0.07193 0.05215 -0.06102 -0.01222 13 4PZ -0.00907 -0.01503 -0.06148 0.04065 -0.17764 14 5XX 0.03314 -0.00578 -0.00068 0.00854 0.02388 15 5YY -0.04631 0.02865 0.00739 0.00078 -0.01412 16 5ZZ 0.01444 -0.01334 0.00644 -0.02673 -0.01252 17 5XY 0.02900 0.04950 0.04610 -0.04127 -0.01872 18 5XZ 0.00438 -0.00588 -0.03483 0.04903 -0.02109 19 5YZ 0.03048 0.01164 -0.01367 0.01069 0.02340 20 2 O 1S 0.00027 0.00162 0.00112 0.00417 0.00936 21 2S 0.00837 0.00016 -0.00140 -0.01707 -0.01817 22 2PX 0.17705 0.25717 0.27137 -0.27019 0.03055 23 2PY 0.15115 0.02018 -0.10586 0.11396 0.08028 24 2PZ -0.04227 0.17960 -0.04913 0.09300 0.03538 25 3S -0.06682 -0.01507 0.00234 -0.01127 -0.08654 26 3PX 0.12255 0.19431 0.20596 -0.22394 0.02168 27 3PY 0.10183 0.01886 -0.07368 0.08795 0.08162 28 3PZ -0.04058 0.12726 -0.03245 0.07251 0.04267 29 4XX 0.00695 -0.00027 0.00010 -0.00006 0.00542 30 4YY -0.00218 -0.00418 0.00652 -0.01009 -0.00096 31 4ZZ 0.00620 0.00948 -0.00436 0.00235 0.00360 32 4XY -0.00972 -0.01263 -0.01379 0.01114 -0.00101 33 4XZ 0.00751 0.00891 0.00613 -0.00626 -0.00062 34 4YZ 0.00374 -0.00709 0.00079 -0.00094 0.00022 35 3 O 1S -0.00004 -0.00952 -0.01506 0.01413 0.02754 36 2S -0.00110 0.00786 0.02302 -0.02634 -0.05622 37 2PX -0.23933 0.03840 0.03434 -0.14503 0.07168 38 2PY 0.33679 0.22710 -0.03634 0.08490 -0.06270 39 2PZ -0.16592 -0.04714 0.16696 -0.06562 -0.05664 40 3S 0.02571 0.09661 0.13890 -0.08364 -0.22804 41 3PX -0.17385 0.03461 0.01642 -0.11856 0.07164 42 3PY 0.25405 0.17049 -0.02440 0.05931 -0.05802 43 3PZ -0.11819 -0.01489 0.15029 -0.06316 -0.06328 44 4XX -0.00083 -0.00905 -0.00904 0.01019 0.00903 45 4YY 0.01012 0.00138 -0.00669 0.00272 0.00526 46 4ZZ -0.01013 -0.00519 0.00312 -0.00414 -0.00045 47 4XY -0.00467 -0.00175 0.00218 -0.00115 -0.00056 48 4XZ -0.00731 0.00038 -0.00117 -0.00290 -0.00031 49 4YZ 0.00772 0.00587 0.00619 -0.00264 -0.00333 50 4 C 1S -0.01939 0.00093 0.01379 -0.00137 -0.00751 51 2S 0.05418 0.00212 -0.03521 0.00443 0.03538 52 2PX -0.14031 0.27123 -0.11115 0.10980 0.04003 53 2PY 0.11302 -0.05663 -0.00456 -0.02864 0.00950 54 2PZ -0.10219 -0.10119 0.12046 -0.03923 -0.04093 55 3S 0.05034 -0.03257 -0.05539 0.01509 0.04603 56 3PX -0.11911 0.18242 -0.06861 0.07914 0.07352 57 3PY 0.02964 -0.06072 0.01921 -0.01844 -0.02987 58 3PZ -0.06395 -0.07065 0.09693 -0.01104 -0.01615 59 4XX -0.00500 0.00840 -0.00108 0.00186 -0.00685 60 4YY -0.00524 -0.00423 0.00281 0.00236 0.00545 61 4ZZ 0.01050 -0.00387 -0.00220 -0.00276 0.00514 62 4XY -0.00331 0.00718 -0.00052 0.00170 0.00057 63 4XZ 0.00051 0.00791 -0.00308 0.00069 -0.00664 64 4YZ 0.00294 -0.00390 0.00303 -0.00141 0.00325 65 5 C 1S 0.00314 -0.00164 0.00716 -0.00229 -0.01152 66 2S -0.00943 -0.00641 -0.02264 0.01423 0.01819 67 2PX 0.11342 -0.05448 -0.04398 0.05586 0.06487 68 2PY -0.16638 -0.03036 -0.00434 0.01826 0.02795 69 2PZ 0.07749 0.01098 -0.04713 -0.02547 -0.02179 70 3S -0.02276 0.04270 -0.01613 -0.01424 0.09376 71 3PX 0.02825 -0.03273 -0.04082 0.00181 0.11874 72 3PY -0.04370 0.02100 -0.01720 -0.01371 0.03245 73 3PZ 0.01790 0.02053 0.04254 -0.01035 -0.00278 74 4XX -0.01399 -0.00463 0.00810 0.00162 -0.00988 75 4YY -0.00157 0.00549 -0.00385 -0.00147 0.00852 76 4ZZ 0.01537 -0.00415 -0.00524 0.00110 -0.00186 77 4XY 0.01758 -0.00048 0.00516 0.00099 -0.00577 78 4XZ -0.00293 0.01236 -0.00560 -0.00277 0.01121 79 4YZ -0.01048 0.00032 0.00916 -0.00223 -0.00472 80 6 C 1S 0.02431 -0.00128 0.00148 0.00049 -0.00282 81 2S -0.06313 0.01055 -0.00228 -0.00619 0.01343 82 2PX -0.12674 -0.02959 -0.07822 -0.08135 0.12759 83 2PY 0.18394 -0.04769 -0.06624 -0.05783 0.08832 84 2PZ 0.01530 0.06080 0.13739 0.10992 -0.18215 85 3S -0.08513 -0.02604 -0.00390 -0.00042 -0.02216 86 3PX 0.00289 -0.01327 -0.06563 -0.03215 0.13489 87 3PY 0.11110 -0.00315 -0.04414 -0.04189 0.07724 88 3PZ 0.04087 0.03921 0.07397 0.05785 -0.20826 89 4XX -0.00073 0.00465 0.00784 0.00936 0.01976 90 4YY -0.00519 -0.00152 0.00584 -0.00175 0.00148 91 4ZZ 0.00378 -0.00089 -0.01233 -0.01039 -0.02070 92 4XY 0.00796 0.00212 0.00726 0.00602 0.00939 93 4XZ 0.00271 -0.00143 -0.00419 -0.00419 -0.00906 94 4YZ -0.00180 0.00432 0.00154 0.00220 0.00498 95 7 C 1S -0.00363 -0.00967 0.00727 -0.00990 0.01352 96 2S 0.01165 0.03730 -0.00948 0.01455 -0.03225 97 2PX -0.01142 0.01817 0.04998 0.12216 0.07035 98 2PY -0.03908 -0.05179 0.11597 0.02887 0.11573 99 2PZ -0.04821 0.06136 -0.19158 -0.07729 -0.18628 100 3S -0.00564 -0.01779 -0.05652 0.06619 -0.12023 101 3PX -0.01068 -0.03060 0.01624 0.09421 0.05492 102 3PY 0.01638 0.00928 0.06179 0.00730 0.10226 103 3PZ 0.01261 0.03614 -0.11470 -0.06960 -0.24096 104 4XX 0.00335 0.00639 -0.00085 -0.00492 0.00309 105 4YY -0.00475 -0.00107 0.01215 0.00673 -0.01680 106 4ZZ 0.00126 -0.00192 -0.00892 -0.00505 0.01221 107 4XY 0.00287 -0.00036 0.00539 0.00680 -0.01029 108 4XZ 0.00276 -0.00091 0.00199 0.00810 -0.01148 109 4YZ -0.00165 0.00409 -0.00506 -0.00969 0.01346 110 8 C 1S 0.00593 -0.01174 -0.02024 0.02006 -0.00733 111 2S -0.01352 0.01643 0.02610 -0.01731 0.00239 112 2PX 0.00789 -0.00671 0.10570 -0.14409 0.02616 113 2PY 0.04225 0.02026 -0.03814 -0.00609 -0.01312 114 2PZ -0.04108 -0.04616 -0.05991 0.13821 -0.01317 115 3S -0.00330 0.09050 0.16906 -0.23353 0.12188 116 3PX 0.00815 -0.02998 0.07195 -0.10181 -0.04519 117 3PY -0.02550 -0.00809 -0.04447 0.06947 -0.00070 118 3PZ -0.02145 -0.06722 -0.12505 0.12700 -0.08849 119 4XX 0.00273 -0.00149 -0.01075 -0.00126 -0.01589 120 4YY -0.00379 0.00180 0.00229 0.00711 0.00136 121 4ZZ 0.00363 -0.00302 0.00623 -0.00592 0.01116 122 4XY 0.00485 -0.00931 0.00162 -0.00226 0.00465 123 4XZ -0.00244 0.00788 0.00035 0.01115 0.00208 124 4YZ -0.00028 0.00343 -0.00153 -0.00588 -0.00538 125 9 C 1S 0.00133 -0.00014 -0.00801 -0.00815 -0.00797 126 2S -0.00316 -0.00370 0.01908 0.01964 0.04269 127 2PX -0.11264 0.29106 -0.07875 0.06702 -0.13559 128 2PY -0.00294 -0.08624 0.03559 0.04112 0.06942 129 2PZ 0.07868 -0.09275 0.00422 -0.05330 0.02671 130 3S 0.00769 0.01691 -0.00033 0.07439 0.00161 131 3PX -0.08250 0.20584 -0.03932 0.06589 -0.12103 132 3PY -0.01968 -0.06306 0.03156 0.06011 0.08739 133 3PZ 0.03846 -0.07864 0.02613 -0.04009 0.11422 134 4XX 0.00355 -0.00825 0.00141 -0.00315 -0.00359 135 4YY -0.00830 0.00150 0.00027 0.00599 0.00212 136 4ZZ 0.00560 0.00558 -0.00427 -0.00187 0.00632 137 4XY 0.00119 -0.00665 0.00782 -0.00580 0.00244 138 4XZ 0.00655 -0.00518 -0.00028 -0.00091 -0.00188 139 4YZ -0.00060 0.00378 -0.00405 0.00395 0.00168 140 10 H 1S -0.06434 -0.00705 0.02134 0.00963 0.00190 141 2S -0.09013 -0.01300 0.03920 0.01127 -0.01822 142 11 H 1S 0.01868 0.03356 0.03239 -0.01340 -0.00667 143 2S 0.02731 0.05086 0.05436 -0.03068 0.00440 144 12 H 1S -0.00049 -0.00027 0.00429 0.00710 0.01141 145 2S 0.01511 0.01974 0.02227 -0.00297 0.06031 146 13 H 1S 0.04237 0.01194 -0.01561 -0.02633 -0.00249 147 2S 0.05030 0.01699 -0.03180 -0.03673 -0.04410 148 14 C 1S -0.01291 0.00157 0.00240 -0.00228 -0.00149 149 2S 0.02494 -0.00333 -0.00637 0.00362 0.00103 150 2PX 0.07226 -0.04455 -0.12051 -0.10560 -0.15946 151 2PY -0.06114 -0.02869 -0.09325 -0.10755 -0.14782 152 2PZ -0.00088 0.06738 0.16312 0.17544 0.24241 153 3S 0.08627 0.00434 -0.01951 0.01800 0.02534 154 3PX 0.04859 -0.02414 -0.09292 -0.08762 -0.20118 155 3PY -0.02724 -0.03998 -0.07585 -0.07974 -0.18199 156 3PZ 0.01001 0.04993 0.12578 0.14291 0.30998 157 4XX -0.00281 -0.00243 -0.00588 -0.00518 0.00962 158 4YY -0.00422 0.00057 0.00179 0.00030 -0.00129 159 4ZZ 0.00363 0.00196 0.00410 0.00409 -0.00851 160 4XY 0.00972 -0.00273 -0.00196 -0.00120 0.00415 161 4XZ 0.00438 0.00062 0.00314 0.00319 -0.00509 162 4YZ 0.00402 -0.00149 -0.00275 -0.00240 0.00357 163 15 H 1S -0.07062 0.00862 0.00288 -0.00469 -0.00151 164 2S -0.09122 0.02007 0.00325 -0.01023 -0.00386 165 16 H 1S 0.04302 -0.00865 -0.00041 0.00073 -0.00183 166 2S 0.05057 -0.01164 0.00473 -0.00017 -0.01065 167 17 C 1S 0.00585 0.00345 -0.00627 0.00696 -0.00582 168 2S -0.01213 -0.00437 0.01995 -0.01829 0.00763 169 2PX -0.00222 -0.04911 0.15627 0.09716 -0.15168 170 2PY 0.04183 -0.01542 0.08100 0.11831 -0.13905 171 2PZ 0.00909 0.04381 -0.18259 -0.17903 0.21716 172 3S -0.03895 -0.03303 0.01268 -0.00947 0.05836 173 3PX -0.01403 -0.02858 0.10636 0.09331 -0.18664 174 3PY 0.02682 -0.00387 0.06956 0.08269 -0.17549 175 3PZ -0.00414 0.04771 -0.13259 -0.14719 0.28922 176 4XX -0.00028 0.00175 0.00236 0.00469 0.00244 177 4YY 0.00139 0.00078 -0.00377 -0.00455 -0.00744 178 4ZZ 0.00183 -0.00104 0.00248 0.00020 0.00324 179 4XY 0.00166 -0.00026 -0.00015 -0.00360 -0.00231 180 4XZ -0.00007 0.00162 -0.00446 -0.00187 -0.00543 181 4YZ 0.00286 -0.00309 0.00813 0.00136 0.00756 182 18 H 1S 0.02275 -0.00824 0.01497 -0.01094 0.00045 183 2S 0.03430 -0.01660 0.01315 -0.00989 0.00294 184 19 H 1S -0.00649 0.01542 -0.02094 0.02073 -0.01062 185 2S -0.01740 0.02482 -0.03145 0.03095 -0.03215 46 47 48 49 50 V V V V V Eigenvalues -- -0.02378 0.01690 0.04528 0.07540 0.08736 1 1 S 1S 0.01322 -0.01546 -0.01168 -0.00790 -0.00953 2 2S -0.05521 0.05325 0.05227 0.02886 0.04881 3 2PX 0.07470 -0.07195 -0.10087 -0.02581 -0.03586 4 2PY -0.01745 -0.11583 -0.08365 -0.01338 -0.02132 5 2PZ -0.05110 -0.15014 0.08611 -0.00451 0.02928 6 3S 0.16772 -0.23546 -0.14647 -0.11701 -0.09929 7 3PX -0.22142 0.22010 0.29432 0.07324 0.10962 8 3PY 0.05264 0.34829 0.24921 0.03657 0.06320 9 3PZ 0.15571 0.44102 -0.25857 0.00823 -0.08120 10 4S 0.17261 0.09685 -0.20303 -0.03499 -0.33672 11 4PX -0.18243 0.06544 0.52051 0.16004 0.21839 12 4PY 0.12239 0.37374 0.51065 0.12878 0.07040 13 4PZ 0.02818 0.56866 -0.49950 0.05306 -0.25260 14 5XX 0.00830 -0.02690 0.04523 0.00981 -0.03364 15 5YY -0.02206 0.01224 -0.06331 0.00386 -0.00238 16 5ZZ 0.01385 0.01102 0.03748 -0.01188 0.05251 17 5XY 0.00844 0.04927 -0.00825 0.01833 -0.00057 18 5XZ -0.00329 0.09333 -0.02993 0.00047 -0.02774 19 5YZ 0.02345 0.01429 0.11877 -0.01028 0.04093 20 2 O 1S 0.00984 -0.00138 0.03686 -0.00010 -0.00059 21 2S -0.01070 0.02063 -0.05253 0.01001 0.00711 22 2PX 0.08137 -0.08272 -0.15234 -0.05474 -0.07533 23 2PY 0.03870 -0.17517 0.10511 -0.04158 0.00591 24 2PZ -0.08615 -0.20414 -0.04883 -0.00868 0.04171 25 3S -0.12480 -0.05394 -0.44841 -0.03792 -0.02247 26 3PX 0.08642 -0.08156 -0.18924 -0.06276 -0.08656 27 3PY 0.04560 -0.17388 0.15126 -0.02863 0.00955 28 3PZ -0.08577 -0.25285 -0.04668 -0.01914 0.04953 29 4XX 0.00414 0.00578 0.01783 0.00288 -0.00183 30 4YY 0.00455 0.00740 0.01478 0.00300 0.00452 31 4ZZ 0.00593 0.00396 0.01878 0.00248 0.00534 32 4XY 0.00005 0.00231 -0.00149 0.00043 -0.00069 33 4XZ 0.00113 0.00655 -0.00312 0.00104 -0.00012 34 4YZ 0.00116 0.00053 0.00422 0.00138 -0.00018 35 3 O 1S 0.02199 -0.06879 -0.01516 -0.00164 0.01770 36 2S -0.04245 0.11281 0.02984 -0.00960 -0.02311 37 2PX 0.07535 0.12906 0.04329 0.06289 0.15091 38 2PY -0.00392 0.18083 0.08137 0.01831 0.05390 39 2PZ -0.11492 0.16223 0.15672 -0.02199 0.03984 40 3S -0.19203 0.64677 0.16107 0.03951 -0.22601 41 3PX 0.09980 0.08954 0.09751 0.07965 0.23735 42 3PY -0.00852 0.20319 0.11198 0.01538 0.08764 43 3PZ -0.11640 0.17389 0.15263 -0.04801 -0.00277 44 4XX -0.00071 -0.03083 -0.00025 -0.00824 0.01453 45 4YY 0.01023 -0.01927 -0.00081 -0.00902 0.00393 46 4ZZ 0.00412 -0.01376 -0.00855 0.00042 0.00204 47 4XY -0.00044 -0.01074 0.00667 -0.00457 0.00334 48 4XZ 0.00228 -0.00135 -0.01221 -0.00064 -0.00085 49 4YZ -0.00204 0.00149 -0.00438 0.00298 -0.00377 50 4 C 1S -0.00060 -0.00515 0.02287 0.03392 -0.00711 51 2S 0.00053 0.01397 -0.03192 -0.05262 0.04363 52 2PX 0.34809 0.04959 0.12712 -0.00424 -0.10202 53 2PY -0.08082 -0.00936 -0.03362 0.13633 0.03061 54 2PZ -0.12159 -0.01657 0.01774 -0.04160 -0.00347 55 3S 0.03708 -0.05407 -0.33511 -0.55135 -0.24023 56 3PX 0.44899 0.06622 0.18085 0.01959 -0.19111 57 3PY -0.06470 -0.06590 -0.06047 0.27688 -0.10463 58 3PZ -0.14745 -0.08342 0.04875 -0.06541 0.02280 59 4XX -0.01223 0.00108 -0.00471 -0.00408 -0.00317 60 4YY 0.00581 -0.00337 0.00681 0.02021 -0.00205 61 4ZZ 0.00694 0.00034 0.00153 -0.01207 0.00491 62 4XY -0.01176 0.00085 -0.00371 0.00438 0.00296 63 4XZ -0.00842 0.00138 -0.00237 -0.00705 -0.00314 64 4YZ 0.00564 0.00379 0.00023 -0.00749 -0.00417 65 5 C 1S -0.00674 0.02110 -0.01951 0.03081 -0.03230 66 2S 0.01904 -0.03884 0.02181 -0.06708 0.04456 67 2PX 0.03841 -0.11380 0.03997 0.06990 0.11723 68 2PY 0.02445 -0.04902 0.01032 0.14914 0.06144 69 2PZ -0.00909 0.05283 -0.00195 0.05858 -0.04728 70 3S -0.00742 -0.17894 0.29096 -0.39175 0.43165 71 3PX 0.13602 -0.17619 0.09819 0.18815 0.26191 72 3PY -0.01946 -0.05326 0.05617 0.37365 0.20565 73 3PZ -0.07744 0.13695 0.14244 0.23417 -0.00019 74 4XX -0.00093 0.00352 0.00911 -0.00448 -0.01817 75 4YY 0.00692 0.00805 -0.00313 0.00071 0.01085 76 4ZZ -0.00514 -0.00890 -0.01148 0.00751 0.00386 77 4XY -0.01716 0.00590 -0.00007 0.00736 0.00119 78 4XZ 0.01456 0.01160 0.00165 0.01071 0.01324 79 4YZ 0.00109 -0.00516 0.00896 0.01175 -0.00541 80 6 C 1S -0.01739 -0.00338 0.00080 0.01867 0.00615 81 2S 0.04189 0.00020 0.00973 -0.03048 0.00452 82 2PX 0.03290 0.06739 -0.09588 -0.01370 0.14090 83 2PY -0.08032 0.05084 -0.10473 0.01704 0.16051 84 2PZ 0.01578 -0.09477 0.14136 -0.02692 -0.20938 85 3S 0.14224 0.00559 -0.15578 -0.27676 -0.15320 86 3PX 0.07882 0.07582 -0.19407 0.00224 0.07978 87 3PY -0.11280 0.08462 -0.15621 0.03203 0.22115 88 3PZ 0.01831 -0.18682 0.09156 -0.03846 -0.35629 89 4XX -0.00178 0.00190 -0.00469 0.00864 0.00789 90 4YY -0.00195 0.00260 0.00112 -0.00735 -0.01628 91 4ZZ 0.00411 -0.00825 0.00083 0.00169 0.00913 92 4XY -0.00516 0.00672 -0.00385 -0.00598 -0.01129 93 4XZ -0.00208 -0.00183 0.00127 0.00482 -0.00506 94 4YZ 0.00457 0.00172 -0.00203 -0.00165 0.00555 95 7 C 1S 0.02284 -0.01872 0.00859 0.01471 0.00003 96 2S -0.04216 0.03716 -0.03596 -0.02486 -0.00725 97 2PX -0.13842 0.08806 -0.01015 -0.02840 -0.15915 98 2PY -0.01879 -0.00070 0.04194 -0.00321 -0.14677 99 2PZ 0.06172 -0.02267 -0.07154 0.03663 0.28281 100 3S -0.20551 0.26998 0.02332 -0.21437 0.23544 101 3PX -0.23566 0.15591 0.03212 0.02022 -0.17013 102 3PY -0.00290 -0.07504 -0.15194 -0.03681 -0.33817 103 3PZ 0.08671 0.01282 -0.18142 0.05168 0.38908 104 4XX -0.00748 -0.00221 0.01113 0.00195 -0.00338 105 4YY 0.01102 -0.00410 0.00301 0.00782 0.00412 106 4ZZ 0.00110 0.00985 -0.01602 -0.00580 0.00448 107 4XY 0.00193 -0.00213 0.00218 -0.00847 -0.00663 108 4XZ 0.00048 0.00391 -0.00493 -0.00205 0.00596 109 4YZ -0.00781 0.00100 0.00032 -0.00049 -0.00115 110 8 C 1S 0.01120 0.02749 -0.05081 0.03641 -0.05243 111 2S -0.04203 -0.01544 0.09462 -0.05485 0.09296 112 2PX -0.03382 -0.07941 0.15846 -0.05739 0.13061 113 2PY -0.00646 0.00315 -0.02345 -0.08713 0.01884 114 2PZ 0.05134 0.07241 -0.15967 -0.15710 -0.06163 115 3S 0.06743 -0.41280 0.50550 -0.56138 0.58010 116 3PX -0.12514 0.02888 0.36392 -0.16181 0.47650 117 3PY -0.02064 -0.01687 0.19126 -0.31557 0.17247 118 3PZ 0.02881 0.31821 -0.30271 -0.33250 0.04263 119 4XX 0.00394 0.01730 -0.00827 -0.00115 0.01750 120 4YY -0.01051 0.00262 0.00496 0.00919 -0.00990 121 4ZZ 0.00894 -0.01099 -0.00344 -0.00247 -0.01530 122 4XY 0.01722 0.00246 0.01647 0.00812 0.00440 123 4XZ -0.02213 -0.00106 0.00388 0.00510 -0.00525 124 4YZ 0.00065 -0.01241 -0.01603 0.01441 0.00914 125 9 C 1S 0.00667 -0.01370 -0.02342 0.04167 0.02139 126 2S -0.01229 0.03123 0.06548 -0.06917 -0.05743 127 2PX -0.30449 -0.02802 -0.05351 -0.04071 0.05328 128 2PY 0.05530 0.02034 0.07052 0.03398 -0.07384 129 2PZ 0.11734 0.00294 0.00742 -0.14193 -0.00262 130 3S -0.10689 0.15021 0.29694 -0.60748 0.00659 131 3PX -0.40886 -0.06118 -0.14460 -0.09276 -0.05354 132 3PY 0.06956 -0.04682 0.10756 0.05812 -0.15972 133 3PZ 0.18219 -0.02376 0.00144 -0.33714 -0.23417 134 4XX -0.01268 0.00092 -0.00790 0.00000 0.00346 135 4YY 0.00561 0.00263 0.00891 -0.01462 0.00064 136 4ZZ 0.00620 -0.00292 0.00432 0.02035 0.00130 137 4XY -0.01524 -0.00386 0.00169 -0.00409 0.00514 138 4XZ -0.00895 -0.00012 0.00248 0.00741 0.00636 139 4YZ 0.00914 0.00578 -0.00619 -0.00789 -0.00891 140 10 H 1S 0.00432 -0.01529 0.02653 0.07089 -0.00385 141 2S 0.01991 -0.06633 0.14146 0.77011 -0.05576 142 11 H 1S -0.00971 0.03552 0.02116 0.06988 0.02611 143 2S -0.02693 0.11081 0.06248 0.83924 0.07327 144 12 H 1S 0.00000 -0.05944 -0.04813 0.06342 -0.03805 145 2S 0.02250 -0.19708 -0.25408 0.91017 -0.54512 146 13 H 1S 0.00347 -0.02370 0.00538 0.07749 0.03444 147 2S 0.00786 -0.10049 -0.07150 0.88041 0.23222 148 14 C 1S 0.00465 0.00517 -0.00239 0.00713 -0.02270 149 2S -0.00982 -0.00958 0.00656 -0.00897 0.04104 150 2PX -0.01575 -0.04732 0.06771 0.05056 -0.10797 151 2PY -0.00397 -0.03930 0.06884 0.00973 -0.04014 152 2PZ -0.01315 0.07081 -0.10649 0.06627 0.13929 153 3S 0.01011 -0.08468 -0.01540 -0.14897 0.21236 154 3PX 0.00046 -0.07392 0.08448 0.17021 -0.26461 155 3PY 0.01236 -0.08070 0.13089 0.02089 -0.03285 156 3PZ -0.02488 0.13039 -0.16029 0.17199 0.22073 157 4XX 0.00118 0.00528 -0.00822 -0.00178 0.01416 158 4YY -0.00001 0.00129 0.00121 0.00214 -0.00667 159 4ZZ 0.00064 -0.00575 0.00822 -0.00063 -0.01149 160 4XY -0.00361 0.00086 -0.00501 0.00067 0.00748 161 4XZ -0.00035 -0.00263 0.00587 -0.00357 -0.00831 162 4YZ -0.00085 0.00031 -0.00363 0.00257 0.00799 163 15 H 1S 0.01096 0.01050 0.00101 0.00358 -0.01960 164 2S 0.02751 0.05763 -0.03611 0.11375 -0.30555 165 16 H 1S -0.00550 -0.00749 -0.00017 0.00244 -0.00240 166 2S -0.02696 0.02069 0.00417 0.28050 -0.05689 167 17 C 1S -0.00619 0.00563 -0.01430 0.00850 -0.02917 168 2S 0.01515 -0.01391 0.01906 -0.01353 0.05093 169 2PX 0.09507 -0.01909 -0.04553 0.01987 0.08401 170 2PY 0.04764 0.00699 -0.04610 -0.06324 0.12368 171 2PZ -0.13767 0.04705 0.06526 -0.05119 -0.12229 172 3S -0.00357 0.00894 0.27559 -0.13728 0.44562 173 3PX 0.12113 -0.03725 -0.04257 0.05988 0.12589 174 3PY 0.08055 -0.00355 -0.07289 -0.21597 0.30689 175 3PZ -0.16431 0.05681 0.06282 -0.12821 -0.24486 176 4XX -0.00474 0.00177 0.00075 0.00024 -0.01063 177 4YY 0.00424 -0.00262 -0.00193 -0.00162 0.01398 178 4ZZ -0.00064 0.00171 -0.00223 0.00063 -0.00865 179 4XY 0.00410 -0.00337 0.00205 0.00382 0.00539 180 4XZ 0.00248 -0.00168 -0.00458 0.00309 0.00908 181 4YZ -0.00271 0.00068 0.00634 -0.00220 -0.01297 182 18 H 1S 0.00620 -0.00361 0.00895 0.00135 -0.00670 183 2S 0.02052 -0.03888 -0.03641 0.29054 -0.31406 184 19 H 1S -0.01144 0.00756 -0.02356 0.00554 -0.01403 185 2S -0.03476 0.03678 -0.12511 0.11597 -0.28036 51 52 53 54 55 V V V V V Eigenvalues -- 0.10512 0.10805 0.12126 0.13562 0.15640 1 1 S 1S 0.01284 -0.00365 0.02576 0.00498 0.00218 2 2S -0.06261 0.01287 -0.11342 -0.01521 -0.00553 3 2PX 0.04018 -0.00648 0.08056 -0.00082 -0.00298 4 2PY -0.06073 0.00656 -0.05754 -0.01494 0.00797 5 2PZ 0.03737 -0.00832 0.00053 -0.02270 -0.01527 6 3S 0.13788 -0.05302 0.31822 0.08278 0.04375 7 3PX -0.13244 0.01870 -0.25986 0.00265 0.02391 8 3PY 0.18447 -0.02145 0.17790 0.04935 -0.02527 9 3PZ -0.12528 0.01597 -0.00911 0.08101 0.04932 10 4S 0.43680 -0.03303 0.68612 0.00781 -0.08239 11 4PX -0.00502 0.05382 -0.28341 0.01683 -0.08041 12 4PY 0.67524 0.03980 0.56147 -0.00909 -0.10756 13 4PZ -0.18388 0.17675 -0.05646 -0.03814 0.03132 14 5XX 0.06177 0.00170 0.07807 0.01950 -0.03023 15 5YY -0.06961 0.00679 -0.06339 0.00554 0.01421 16 5ZZ 0.00355 -0.01580 -0.01884 -0.02150 0.00810 17 5XY 0.01592 0.01135 0.01303 -0.00682 -0.00988 18 5XZ 0.00571 0.01601 0.03851 -0.01952 0.00622 19 5YZ 0.07101 -0.02020 0.05934 0.00890 0.00161 20 2 O 1S 0.04882 -0.00661 0.05023 0.00247 -0.00634 21 2S -0.06608 0.01614 -0.07910 -0.00477 0.00304 22 2PX -0.00176 -0.01281 0.06886 -0.01321 0.01708 23 2PY 0.13936 -0.03755 0.16536 0.00400 -0.01038 24 2PZ -0.09691 0.00418 -0.12855 -0.03840 -0.00351 25 3S -0.62593 0.05728 -0.60128 -0.02087 0.10127 26 3PX -0.01038 -0.01640 0.07858 -0.00697 0.02095 27 3PY 0.21640 -0.05159 0.23234 0.01406 -0.02744 28 3PZ -0.15031 -0.01072 -0.18569 -0.02263 0.01118 29 4XX 0.02379 -0.00021 0.02248 0.00045 -0.00646 30 4YY 0.01757 0.00086 0.01237 -0.00132 -0.00428 31 4ZZ 0.01979 -0.00269 0.01722 0.00280 -0.00270 32 4XY 0.00292 0.00105 0.00483 -0.00079 -0.00034 33 4XZ 0.00050 0.00180 0.00087 -0.00106 -0.00031 34 4YZ 0.00612 -0.00016 0.00356 -0.00252 -0.00099 35 3 O 1S 0.00142 -0.00824 0.01191 -0.01278 0.00300 36 2S -0.02069 0.01243 -0.04230 0.01828 -0.00058 37 2PX 0.03015 0.00553 0.01006 -0.00424 0.01115 38 2PY -0.11903 0.02458 -0.16681 -0.04546 0.02834 39 2PZ 0.05664 -0.01066 -0.01635 0.00253 -0.03158 40 3S 0.08622 0.09883 -0.02367 0.16497 -0.00935 41 3PX 0.05827 0.02306 -0.02485 -0.04394 -0.00749 42 3PY -0.07914 0.07186 -0.17006 -0.08928 0.06286 43 3PZ 0.09651 0.01850 -0.04183 0.04808 -0.02109 44 4XX -0.00932 -0.00353 -0.01322 0.00207 0.00902 45 4YY 0.00386 -0.00190 0.00832 -0.01296 0.00137 46 4ZZ -0.01025 -0.00198 -0.00713 0.00009 0.00220 47 4XY 0.00500 -0.00011 0.00032 -0.00211 0.00271 48 4XZ -0.00467 0.00144 -0.00552 -0.00256 -0.00360 49 4YZ -0.00095 0.00245 0.00612 0.00062 -0.00104 50 4 C 1S -0.02333 0.00948 0.02326 0.00370 0.09437 51 2S 0.04045 -0.01572 -0.03681 0.00105 -0.14357 52 2PX -0.08303 0.02288 -0.03852 0.00925 0.01698 53 2PY -0.05221 -0.01033 0.09012 -0.02785 0.22044 54 2PZ 0.02438 0.02606 0.05568 -0.00240 -0.02931 55 3S 0.50659 -0.04610 -0.24607 -0.00113 -1.46072 56 3PX -0.11573 0.11982 -0.10814 0.08985 0.10921 57 3PY -0.07364 0.06434 0.32453 -0.02184 0.91917 58 3PZ 0.11391 0.19075 0.00171 0.01061 -0.18114 59 4XX 0.00349 0.00019 0.00632 0.00462 0.00241 60 4YY -0.00290 0.00346 0.00336 -0.00012 0.00273 61 4ZZ 0.00006 0.00131 -0.00567 0.00043 0.01144 62 4XY 0.00776 0.00038 0.00300 0.00164 0.00331 63 4XZ 0.00594 0.00282 0.00685 0.01034 0.00415 64 4YZ 0.00325 0.00193 -0.00473 -0.00839 0.00114 65 5 C 1S -0.01505 -0.03100 0.02647 -0.04579 -0.04277 66 2S 0.01052 0.03276 -0.02415 0.10214 0.10214 67 2PX -0.02731 -0.08361 0.05428 -0.18395 0.01014 68 2PY -0.10907 -0.10021 0.06309 0.11332 -0.06730 69 2PZ -0.09412 -0.06906 0.10316 0.04016 0.03492 70 3S 0.39606 0.58247 -0.66452 0.46930 0.35153 71 3PX -0.14572 -0.16807 0.25411 -0.46068 -0.11852 72 3PY -0.26580 -0.35641 0.04767 0.22199 -0.48889 73 3PZ -0.28239 -0.19000 0.26133 0.07352 -0.10101 74 4XX 0.00342 -0.00310 -0.00242 -0.00147 -0.00465 75 4YY -0.00359 -0.00231 0.00303 -0.00957 0.00137 76 4ZZ -0.00354 -0.00298 0.00099 0.00040 -0.00435 77 4XY -0.00516 0.00276 -0.00035 0.00876 0.00322 78 4XZ -0.00114 -0.00071 -0.01075 0.00188 0.00250 79 4YZ -0.00791 0.00538 0.01324 -0.00526 0.00533 80 6 C 1S 0.00966 0.02453 -0.01885 0.03704 0.00611 81 2S -0.03954 -0.05824 0.02164 -0.05166 -0.01428 82 2PX 0.03481 -0.01712 0.03804 -0.06564 0.02511 83 2PY -0.01981 -0.06541 0.01162 0.11759 0.03557 84 2PZ -0.13091 -0.00056 0.05605 -0.02233 -0.02465 85 3S 0.06611 0.08434 0.25694 -0.50214 0.16862 86 3PX 0.09869 0.04752 0.13857 -0.11628 0.31847 87 3PY 0.18104 0.04435 -0.20502 0.19940 0.16854 88 3PZ -0.04865 0.10496 -0.02655 -0.06164 0.13635 89 4XX -0.00699 0.00278 0.00841 -0.00320 -0.00011 90 4YY 0.00118 0.00377 -0.00744 0.02534 0.00808 91 4ZZ 0.00749 0.00137 -0.00685 -0.01157 0.00203 92 4XY 0.00925 0.00455 -0.00558 -0.02402 0.00089 93 4XZ -0.00200 0.00782 0.00008 -0.01416 0.00171 94 4YZ 0.01130 0.00303 -0.01577 0.00055 0.00585 95 7 C 1S -0.01755 -0.01033 0.02587 0.03689 -0.00774 96 2S 0.03970 0.03089 -0.06496 -0.05263 0.04120 97 2PX -0.10723 0.01377 0.05283 -0.12759 -0.06487 98 2PY -0.08826 -0.03688 0.03620 0.03639 0.01620 99 2PZ 0.07734 -0.08838 0.05523 -0.03422 -0.00698 100 3S -0.13781 0.04798 -0.20706 -0.57124 -0.15884 101 3PX -0.04463 0.21211 -0.03292 -0.31567 -0.26016 102 3PY -0.05861 0.08869 0.00079 0.17178 0.34803 103 3PZ 0.22987 0.04680 -0.04733 -0.08833 0.11319 104 4XX -0.00383 0.00306 -0.01097 0.02137 -0.00050 105 4YY -0.00772 0.00219 0.00100 -0.01979 -0.00614 106 4ZZ 0.00268 -0.00814 0.01034 0.00414 0.00355 107 4XY -0.00301 -0.01559 0.00909 -0.00708 0.00508 108 4XZ -0.00589 -0.00622 -0.00378 0.01825 0.00285 109 4YZ -0.00844 -0.00878 0.00630 -0.01501 -0.00295 110 8 C 1S 0.04495 0.01475 0.04637 -0.05029 -0.01249 111 2S -0.06529 -0.00676 -0.11774 0.07268 -0.02935 112 2PX -0.08051 -0.07768 -0.12907 -0.18540 0.01878 113 2PY -0.11558 -0.09005 0.04963 0.06254 0.12149 114 2PZ -0.03777 -0.06062 0.21351 -0.00923 0.05613 115 3S -0.65308 -0.45206 -0.18232 0.73768 0.64723 116 3PX -0.24498 -0.13899 -0.33973 -0.49363 -0.06612 117 3PY -0.37220 -0.43122 0.00316 0.17330 0.20323 118 3PZ -0.29135 -0.14474 0.29771 -0.13713 0.04634 119 4XX 0.00442 -0.00032 -0.00864 -0.01126 -0.00119 120 4YY 0.00166 -0.00271 0.00272 -0.00072 0.00820 121 4ZZ 0.00382 0.00393 0.00914 0.00256 -0.01205 122 4XY 0.00265 0.00846 -0.00256 0.00222 -0.00050 123 4XZ -0.00376 0.00950 -0.00414 -0.01336 -0.00525 124 4YZ -0.00553 0.00686 -0.00745 0.00050 -0.00352 125 9 C 1S -0.01210 0.02873 -0.02673 -0.00426 -0.04617 126 2S 0.04644 -0.03556 0.08342 0.02114 0.08720 127 2PX 0.14283 -0.05112 0.17651 0.04747 0.01160 128 2PY -0.01206 -0.01963 -0.00344 -0.01265 -0.02163 129 2PZ -0.06311 -0.07370 -0.02860 0.01743 0.00324 130 3S -0.04841 -0.64807 0.14661 0.02497 0.38217 131 3PX 0.26183 -0.06079 0.36537 0.11875 0.04698 132 3PY 0.10227 0.02846 -0.09433 -0.08676 -0.33194 133 3PZ 0.05694 -0.13157 0.23631 0.07941 0.26725 134 4XX 0.00304 0.00032 0.00385 -0.00721 -0.00029 135 4YY 0.00181 0.00036 0.00189 0.00891 -0.01072 136 4ZZ -0.00595 0.00139 -0.00451 0.00097 0.00047 137 4XY -0.00231 -0.00400 -0.00474 -0.00943 -0.00332 138 4XZ 0.00562 -0.00066 0.00843 -0.00039 -0.00032 139 4YZ -0.00111 -0.00421 0.01064 -0.00218 -0.00217 140 10 H 1S -0.01323 0.00568 0.02248 0.01031 0.05154 141 2S -0.41324 0.05107 0.48491 -0.02393 1.76716 142 11 H 1S -0.05134 -0.00172 0.03341 -0.03265 -0.01808 143 2S -0.68988 -0.68224 0.66134 -0.19120 -0.56907 144 12 H 1S 0.00985 0.06085 0.00459 -0.01961 -0.01815 145 2S 0.80146 0.70142 -0.06279 -0.15226 -0.46962 146 13 H 1S -0.00859 0.01161 -0.03084 0.00883 -0.01633 147 2S -0.10541 0.48170 -0.48432 -0.14408 -0.52078 148 14 C 1S 0.01182 -0.08777 -0.02877 0.02220 -0.02893 149 2S -0.02784 0.14436 0.04557 -0.04913 0.03798 150 2PX -0.00249 -0.11129 -0.04456 -0.03831 -0.04212 151 2PY -0.13462 0.02480 0.09679 0.18859 -0.11743 152 2PZ -0.00557 -0.08989 0.02004 0.10152 -0.07855 153 3S -0.09976 1.24609 0.40292 -0.24812 0.67125 154 3PX 0.03842 -0.38227 -0.15133 -0.03111 -0.06500 155 3PY -0.39093 0.01260 0.32839 0.56418 -0.34798 156 3PZ -0.05591 -0.29372 0.08120 0.37271 -0.16925 157 4XX 0.00641 -0.00293 -0.00250 -0.00252 -0.00050 158 4YY 0.00109 -0.00453 -0.00441 0.00317 -0.00105 159 4ZZ -0.00670 -0.00617 0.00045 0.00423 -0.00246 160 4XY -0.00235 -0.00658 0.00335 0.01247 0.00528 161 4XZ -0.00485 0.00125 0.00148 0.00492 0.00146 162 4YZ 0.00095 -0.00496 -0.00193 0.01102 0.00309 163 15 H 1S 0.02021 -0.02540 -0.02442 -0.04828 -0.02689 164 2S 0.46450 -0.81164 -0.59695 -0.61792 0.00994 165 16 H 1S -0.00834 -0.05493 -0.00691 0.06764 0.00190 166 2S -0.30913 -0.95679 0.07871 0.98306 -0.73984 167 17 C 1S 0.04955 -0.05160 -0.04642 0.02130 0.05511 168 2S -0.09099 0.09055 0.05853 -0.04679 -0.07696 169 2PX 0.03790 -0.15382 -0.02444 -0.15436 0.00605 170 2PY -0.05858 0.02151 0.07105 -0.03979 -0.06082 171 2PZ -0.08881 -0.05976 0.03220 -0.14267 -0.03197 172 3S -0.65487 0.64966 0.70987 -0.30284 -1.03193 173 3PX 0.10587 -0.48030 0.02544 -0.42958 -0.00738 174 3PY -0.26322 0.10979 0.20082 -0.19438 -0.04696 175 3PZ -0.26203 -0.18879 0.13570 -0.42805 -0.06825 176 4XX -0.00336 -0.00480 0.00293 -0.00670 0.00135 177 4YY 0.00929 -0.00225 -0.00615 0.00675 0.00551 178 4ZZ 0.00148 -0.00099 -0.00492 0.00504 0.00280 179 4XY 0.00560 -0.00137 -0.00925 0.01015 0.00004 180 4XZ 0.00239 -0.00428 0.00035 0.00370 -0.00002 181 4YZ -0.00390 0.00316 -0.00778 0.01075 0.00064 182 18 H 1S 0.02517 -0.01757 -0.06265 0.06784 0.02956 183 2S 0.66956 -0.02910 -0.63723 0.95663 0.58835 184 19 H 1S 0.01417 -0.03326 0.01162 -0.04868 0.02092 185 2S 0.37247 -0.91378 -0.28483 -0.60608 0.42976 56 57 58 59 60 V V V V V Eigenvalues -- 0.16050 0.18132 0.19054 0.19413 0.22285 1 1 S 1S 0.01363 -0.00745 0.00071 -0.00436 0.00208 2 2S -0.04618 0.02514 -0.00755 0.00345 -0.00356 3 2PX 0.01728 0.00433 0.01029 0.00562 0.01737 4 2PY -0.02186 0.01445 -0.01382 0.01219 -0.00333 5 2PZ -0.00313 0.00180 -0.01234 0.01839 -0.01219 6 3S 0.21342 -0.11406 -0.00781 -0.10424 0.04596 7 3PX -0.05333 -0.01039 -0.02588 -0.01396 -0.05164 8 3PY 0.06885 -0.05285 0.04599 -0.03636 0.00425 9 3PZ 0.01522 -0.01975 0.04087 -0.06357 0.01844 10 4S 0.16078 -0.14097 0.12321 0.13548 -0.03937 11 4PX -0.17071 0.10698 -0.16702 -0.04632 -0.10960 12 4PY 0.22403 0.02954 -0.01544 -0.15076 0.18235 13 4PZ -0.04943 0.17431 0.10822 0.03798 0.37234 14 5XX 0.01723 -0.03966 -0.03919 -0.01507 -0.04380 15 5YY -0.01942 0.01286 0.03408 0.02610 0.00953 16 5ZZ 0.00905 0.01381 0.00921 -0.02153 0.03250 17 5XY 0.00916 0.00267 -0.01537 -0.02708 0.00955 18 5XZ 0.01042 0.00963 0.01721 -0.01029 0.06801 19 5YZ 0.02912 -0.00481 0.04432 0.00789 0.02721 20 2 O 1S 0.01757 -0.00881 0.00488 -0.00115 -0.00253 21 2S -0.02618 0.01270 -0.02378 -0.01425 0.00821 22 2PX 0.01388 -0.00089 0.04469 0.03141 0.02984 23 2PY 0.06989 -0.04951 -0.01008 -0.01729 -0.00783 24 2PZ -0.03672 0.00227 -0.06822 -0.02370 -0.02312 25 3S -0.21543 0.10316 -0.00587 0.05977 0.02370 26 3PX 0.02890 -0.01367 0.05433 0.02680 0.03203 27 3PY 0.08613 -0.06884 0.00030 -0.00503 -0.04670 28 3PZ -0.05990 0.00018 -0.05623 -0.00290 -0.06239 29 4XX 0.00789 -0.00634 -0.00549 -0.00642 -0.00212 30 4YY 0.00629 -0.00142 -0.00688 -0.00870 0.00469 31 4ZZ 0.00701 -0.00359 0.00149 -0.00482 0.00036 32 4XY 0.00052 0.00132 -0.00025 -0.00036 0.00461 33 4XZ 0.00132 -0.00011 -0.00200 -0.00322 0.00380 34 4YZ -0.00083 0.00268 0.00214 0.00332 -0.00005 35 3 O 1S -0.00583 0.01885 0.02633 -0.00852 0.05444 36 2S 0.01500 -0.02624 -0.02220 0.00347 -0.06103 37 2PX -0.01995 0.11791 0.10472 -0.06884 0.24486 38 2PY -0.05836 0.05598 0.04111 -0.01977 0.09707 39 2PZ 0.01851 -0.05108 0.03205 0.05497 -0.09080 40 3S 0.07157 -0.21741 -0.39010 0.15258 -0.77009 41 3PX -0.02731 0.23404 0.23275 -0.12660 0.54425 42 3PY -0.03466 0.14657 0.02520 -0.05482 0.22694 43 3PZ 0.05189 -0.06163 -0.00243 0.12465 -0.23073 44 4XX 0.00052 0.01461 0.01916 0.00162 0.02233 45 4YY 0.00365 0.00623 0.00860 -0.00994 0.02933 46 4ZZ -0.00237 0.00223 0.01141 -0.00486 0.01553 47 4XY 0.00592 0.00543 0.00234 -0.00219 0.01475 48 4XZ 0.00098 0.00036 0.01149 0.00782 0.00356 49 4YZ -0.00038 -0.00074 -0.00236 -0.00454 -0.00169 50 4 C 1S 0.00100 0.03058 -0.07035 -0.01114 -0.00694 51 2S 0.02579 -0.05540 0.08981 -0.03948 0.01930 52 2PX 0.04481 0.00157 -0.05598 -0.02266 -0.06938 53 2PY 0.10254 -0.03088 0.02794 0.10986 0.06260 54 2PZ 0.02296 0.02537 -0.09067 -0.19363 0.04868 55 3S -0.33020 -0.12444 1.19989 0.40445 0.36916 56 3PX 0.16194 0.11525 -0.19698 -0.11594 -0.03060 57 3PY 0.18064 0.21786 -0.07530 0.50032 0.50457 58 3PZ 0.31987 0.23223 -0.25599 -0.82955 0.49951 59 4XX 0.00315 -0.00505 -0.00041 0.00411 -0.01077 60 4YY 0.00203 0.00677 0.01506 0.00597 0.00113 61 4ZZ -0.00460 0.01035 -0.02974 -0.01977 0.01463 62 4XY 0.00179 -0.00014 0.00405 0.00858 -0.00060 63 4XZ 0.00353 0.00084 -0.01436 -0.00412 -0.00993 64 4YZ -0.00177 0.00111 0.00149 0.01889 -0.01502 65 5 C 1S -0.03666 -0.08434 0.02163 0.04987 -0.08000 66 2S 0.02227 0.16280 -0.01964 -0.05621 0.11984 67 2PX -0.10994 0.01812 0.05284 -0.10603 0.32569 68 2PY -0.11402 -0.04345 0.17934 -0.02322 0.05393 69 2PZ -0.07966 -0.11397 -0.25373 -0.19495 -0.09023 70 3S 0.90441 1.14097 -0.41177 -0.84398 1.31279 71 3PX -0.32502 0.04845 0.19989 -0.41805 0.76253 72 3PY -0.30355 -0.32178 0.40522 -0.03120 0.27170 73 3PZ -0.10148 -0.37677 -0.75193 -0.68969 -0.40569 74 4XX 0.00186 -0.01501 -0.00493 0.00799 -0.00886 75 4YY -0.01369 0.00765 -0.00489 -0.00598 -0.00519 76 4ZZ 0.00276 -0.00005 0.02210 0.00572 0.01412 77 4XY -0.00147 0.00186 -0.00460 -0.00235 -0.01331 78 4XZ -0.00109 0.00112 0.00455 0.00238 0.01068 79 4YZ -0.00052 0.01136 -0.00036 -0.01780 0.01364 80 6 C 1S -0.00952 -0.01808 -0.00271 -0.00717 0.02477 81 2S 0.03677 0.05042 -0.00822 -0.01788 -0.01606 82 2PX -0.05044 -0.02850 -0.00682 -0.03124 -0.13331 83 2PY 0.06957 0.12133 0.00201 -0.00969 -0.12859 84 2PZ 0.02373 0.08736 0.11996 -0.09307 0.02639 85 3S 0.01697 0.35640 0.06443 0.28005 -0.22611 86 3PX -0.26413 0.05627 0.01497 -0.36522 -0.63105 87 3PY 0.17686 0.21242 -0.07953 -0.06970 0.00979 88 3PZ -0.07706 0.21970 0.35526 -0.35044 0.04495 89 4XX -0.00832 0.01333 -0.00395 -0.01405 0.01327 90 4YY 0.01045 -0.00224 -0.00479 -0.00003 -0.00711 91 4ZZ -0.00294 -0.00636 0.00477 0.01018 0.00506 92 4XY 0.00309 -0.02160 -0.00737 0.00626 -0.00006 93 4XZ -0.00551 -0.00386 -0.01461 -0.00802 0.00983 94 4YZ -0.00031 -0.00888 0.00172 0.01187 0.00834 95 7 C 1S 0.00909 0.01954 -0.00649 -0.00718 -0.03232 96 2S -0.00692 -0.03617 -0.00654 -0.01671 0.05586 97 2PX 0.00066 0.12741 0.03731 -0.05397 0.11843 98 2PY 0.03093 0.05207 0.09678 -0.10578 -0.01184 99 2PZ -0.05124 0.10043 -0.00759 -0.01566 -0.09085 100 3S -0.03394 -0.37047 0.29986 0.13439 0.56176 101 3PX -0.04477 0.17294 -0.03967 -0.01321 0.68438 102 3PY -0.04171 0.13645 0.29314 -0.50016 -0.37603 103 3PZ -0.24295 0.25242 0.11407 -0.02552 0.00868 104 4XX -0.00212 -0.00492 0.00748 0.00770 0.01203 105 4YY -0.00323 0.00647 -0.00183 -0.01010 -0.00100 106 4ZZ 0.01210 0.00013 -0.00330 -0.00554 -0.01001 107 4XY 0.00883 0.01402 0.01815 0.00890 -0.01022 108 4XZ 0.00750 0.00108 0.00359 -0.00300 0.00055 109 4YZ 0.00286 0.01322 0.00128 -0.00874 -0.01369 110 8 C 1S -0.03426 0.04997 0.03946 0.05227 0.01352 111 2S 0.03086 -0.07844 -0.02490 -0.04545 0.01948 112 2PX -0.03962 0.02150 0.02241 -0.00649 -0.06700 113 2PY 0.00656 -0.08677 0.19500 0.18109 0.00202 114 2PZ 0.16775 -0.13762 0.02118 -0.15745 0.11260 115 3S 0.63772 -0.81022 -0.81888 -1.04976 -0.48140 116 3PX -0.01176 -0.02490 0.17829 0.05544 0.30238 117 3PY 0.08286 -0.26580 0.92381 0.67066 -0.28364 118 3PZ 0.56387 -0.47187 0.05809 -0.37692 0.48004 119 4XX -0.00626 0.00505 -0.00058 0.00000 0.00748 120 4YY -0.00176 0.01160 0.01326 0.01545 -0.00847 121 4ZZ 0.00078 -0.01024 -0.00455 -0.00483 0.00430 122 4XY -0.00025 -0.00806 -0.00340 0.01074 -0.00106 123 4XZ -0.00600 0.00032 -0.00575 -0.00075 0.01287 124 4YZ 0.00170 -0.00619 -0.01842 -0.00816 -0.00789 125 9 C 1S 0.07163 -0.03416 -0.00863 -0.06932 0.02953 126 2S -0.07565 0.05779 -0.02519 0.07747 -0.02134 127 2PX -0.03583 -0.02054 0.03761 0.00029 0.07893 128 2PY 0.02331 0.03809 0.20729 0.10135 -0.01158 129 2PZ -0.24625 0.04861 -0.12271 -0.03659 0.07202 130 3S -1.46313 0.26407 0.40310 1.26797 -0.82483 131 3PX -0.18172 0.08256 0.03468 0.08556 0.28101 132 3PY 0.02220 0.21549 0.89280 0.45110 0.05187 133 3PZ -0.75399 0.32765 -0.54899 0.03900 0.45326 134 4XX -0.00082 0.00131 0.00587 0.00374 0.01025 135 4YY 0.01197 -0.01010 -0.01548 -0.03050 0.00305 136 4ZZ 0.00125 -0.00213 0.00729 0.01259 -0.00616 137 4XY -0.00168 0.00194 0.00197 -0.00908 0.00425 138 4XZ 0.00179 -0.00561 0.00794 0.00483 0.00560 139 4YZ 0.00550 -0.00766 0.01616 0.00604 0.00123 140 10 H 1S 0.00774 0.04036 0.04003 0.03395 0.03015 141 2S 0.33526 0.26898 -0.40455 0.66019 0.29044 142 11 H 1S -0.03598 -0.00338 0.03609 -0.07025 0.02068 143 2S -0.84192 -0.98535 0.05588 -0.46621 -0.28397 144 12 H 1S -0.02648 -0.00015 -0.08339 0.02806 -0.02285 145 2S -0.70956 0.85146 -0.59139 0.25718 -0.20899 146 13 H 1S 0.03389 -0.03174 0.03952 0.02761 -0.03031 147 2S 1.55101 -0.48848 0.68954 -0.34587 -0.31270 148 14 C 1S 0.04500 0.00647 -0.04066 0.05769 0.03201 149 2S -0.06525 0.01166 0.03541 -0.08793 -0.01644 150 2PX 0.02862 -0.00358 -0.12207 0.02412 0.14738 151 2PY -0.00639 0.16642 0.04997 -0.01563 -0.06577 152 2PZ 0.01273 0.09488 -0.05592 0.02248 0.04840 153 3S -0.76989 -0.10078 0.86411 -1.14625 -0.97453 154 3PX -0.01412 -0.11040 -0.12032 -0.14765 0.20303 155 3PY -0.03502 0.57035 0.19560 -0.05618 -0.13781 156 3PZ -0.03282 0.23888 -0.13584 -0.06740 -0.15999 157 4XX 0.00215 -0.00398 -0.00652 0.01062 -0.00478 158 4YY 0.00182 -0.00525 -0.00821 0.00011 0.00077 159 4ZZ 0.00426 0.01302 0.00757 -0.00415 0.00743 160 4XY 0.00491 0.01822 0.00212 -0.01060 -0.01286 161 4XZ 0.00472 0.00773 0.00354 -0.00558 -0.00301 162 4YZ 0.00068 0.00885 0.00460 -0.00420 -0.00319 163 15 H 1S 0.00222 -0.08071 -0.04625 0.06382 0.04100 164 2S 0.35517 -0.73540 -0.72806 0.57826 0.76684 165 16 H 1S 0.03807 0.09029 0.00176 -0.02413 -0.00069 166 2S 0.34933 0.84843 -0.37077 0.31777 0.27984 167 17 C 1S -0.01140 -0.00045 0.05767 -0.05319 -0.01635 168 2S 0.00575 -0.01221 -0.08910 0.04828 0.01679 169 2PX 0.06817 0.13337 -0.01809 -0.10057 -0.12941 170 2PY 0.07294 0.02430 -0.05263 0.14698 0.00857 171 2PZ 0.11515 0.11230 0.00060 0.00075 -0.06597 172 3S 0.32887 -0.01081 -1.02423 1.22712 0.60178 173 3PX 0.23474 0.45210 -0.10450 -0.11993 -0.55054 174 3PY 0.17549 0.00700 0.03528 0.17189 -0.20706 175 3PZ 0.35249 0.30409 0.00614 -0.10393 -0.36087 176 4XX -0.00239 0.01349 0.01280 -0.00532 -0.00479 177 4YY -0.00090 -0.01025 -0.00274 0.00389 -0.00011 178 4ZZ 0.00223 -0.00559 -0.00265 -0.00635 0.00329 179 4XY -0.00122 -0.01062 -0.00688 0.00555 0.00416 180 4XZ -0.00126 0.00464 -0.00348 -0.00069 -0.00748 181 4YZ 0.00501 -0.01185 -0.00226 0.00353 0.01303 182 18 H 1S 0.00070 -0.07163 -0.00726 -0.00923 0.04085 183 2S -0.66371 -0.62835 0.48238 -0.53586 0.46768 184 19 H 1S -0.01378 0.07376 0.04854 -0.04713 -0.05814 185 2S 0.20620 0.75646 0.43860 -0.87112 -0.90792 61 62 63 64 65 V V V V V Eigenvalues -- 0.25014 0.25506 0.30293 0.32227 0.33509 1 1 S 1S -0.00256 -0.00236 -0.04091 0.00224 -0.00740 2 2S -0.01087 0.01509 0.05163 0.00997 0.02119 3 2PX -0.00051 -0.02230 0.17670 -0.00506 0.05800 4 2PY 0.02130 -0.00056 -0.06396 -0.00674 -0.01760 5 2PZ 0.05460 -0.03143 -0.03172 -0.06037 -0.02389 6 3S -0.10282 -0.01705 -0.94241 0.09053 -0.13259 7 3PX 0.01244 0.07760 -0.72536 0.01342 -0.24943 8 3PY -0.06766 -0.00322 0.28089 0.02165 0.06216 9 3PZ -0.19769 0.11184 0.12833 0.23920 0.08264 10 4S 0.37443 -0.11339 1.31047 -0.39361 0.02781 11 4PX -0.29109 0.03971 0.70678 0.25655 0.50404 12 4PY 0.09852 -0.07852 -0.50678 0.10889 0.21431 13 4PZ -0.00531 0.16510 -0.18554 -0.40674 0.01294 14 5XX -0.03299 -0.00635 0.07711 0.00861 0.05868 15 5YY -0.03516 0.02629 -0.03688 0.02709 -0.01079 16 5ZZ 0.05887 -0.01283 -0.08598 -0.02075 -0.05527 17 5XY -0.00491 0.01298 -0.07144 0.02928 0.04708 18 5XZ 0.02771 0.00742 0.01840 -0.05506 0.03278 19 5YZ -0.01297 0.00131 -0.02904 -0.01106 -0.02622 20 2 O 1S 0.00969 -0.00974 0.00569 -0.00028 0.00136 21 2S -0.00974 0.01029 -0.04158 0.02586 0.01658 22 2PX 0.03970 -0.01606 0.07368 -0.06053 -0.04618 23 2PY 0.03955 -0.04405 -0.04192 -0.02396 -0.01673 24 2PZ 0.06096 -0.02900 0.02754 0.01539 0.01873 25 3S -0.15944 0.14205 -0.05513 -0.06656 -0.09133 26 3PX 0.04637 -0.01241 -0.04490 -0.04766 -0.07384 27 3PY 0.06146 -0.06773 0.04486 -0.01156 -0.01841 28 3PZ 0.00244 -0.01007 0.02659 0.03777 -0.01870 29 4XX 0.00652 -0.00853 0.00287 0.00992 0.01364 30 4YY 0.00833 -0.00655 -0.02955 0.00073 0.00240 31 4ZZ -0.00297 -0.00048 -0.00540 0.01402 0.00365 32 4XY 0.00072 -0.00146 0.02361 -0.00418 0.00957 33 4XZ 0.00268 0.00216 -0.01682 -0.00072 0.00203 34 4YZ 0.00889 -0.00114 0.00501 -0.00463 -0.00340 35 3 O 1S -0.00464 0.00898 0.01026 0.00119 0.00889 36 2S -0.00565 0.00095 -0.04277 0.01248 -0.05608 37 2PX -0.10381 0.04664 -0.00922 0.03853 0.09238 38 2PY -0.03014 0.10998 0.03224 0.03873 0.03296 39 2PZ 0.04888 -0.01757 0.01575 0.00772 0.02007 40 3S 0.12374 -0.22088 -0.15076 -0.11167 -0.01373 41 3PX -0.21480 0.09615 -0.20283 0.07934 0.12426 42 3PY -0.00209 0.18882 -0.02285 0.02765 0.10298 43 3PZ 0.02275 -0.08512 -0.04989 -0.02212 0.08723 44 4XX -0.00692 0.00373 -0.01700 0.00481 -0.01863 45 4YY 0.01111 0.01419 -0.00065 -0.01128 -0.00393 46 4ZZ -0.01752 -0.00140 -0.00322 0.01536 -0.00763 47 4XY 0.00111 -0.00298 -0.03020 -0.00400 -0.00612 48 4XZ -0.00010 0.00429 -0.01977 0.00422 0.00711 49 4YZ -0.00755 0.00293 -0.00527 0.00457 0.00859 50 4 C 1S 0.01548 0.03801 -0.00010 -0.01495 -0.00311 51 2S -0.04979 -0.03092 -0.07506 0.04199 -0.01563 52 2PX 0.06187 -0.09765 -0.02740 -0.00274 -0.13231 53 2PY 0.04596 -0.09749 0.03221 0.01053 0.03370 54 2PZ 0.01867 0.05540 0.09735 -0.02812 -0.20560 55 3S -0.54058 -1.28338 0.41758 0.28867 -0.37688 56 3PX -0.06137 -0.52529 0.27932 -0.01482 -0.71599 57 3PY 0.00545 -0.91202 0.21678 0.20218 0.04859 58 3PZ -0.09767 0.01786 0.66090 0.08248 -1.66773 59 4XX 0.00343 0.00407 -0.00092 0.00140 0.00334 60 4YY -0.01662 -0.00230 -0.00730 -0.00246 -0.00953 61 4ZZ 0.00367 -0.00300 -0.00335 0.00140 0.00075 62 4XY -0.00663 0.00121 -0.00413 0.00773 0.00380 63 4XZ -0.00277 -0.00604 -0.00488 0.00354 -0.00329 64 4YZ 0.01895 0.01166 -0.00272 -0.00817 0.02221 65 5 C 1S 0.05686 0.02012 -0.01207 -0.01166 0.04724 66 2S -0.04004 -0.05397 0.00796 0.02263 -0.04216 67 2PX 0.02066 0.16741 -0.02505 -0.02049 0.04010 68 2PY -0.16763 -0.14580 -0.05965 0.09134 -0.00591 69 2PZ 0.01489 -0.05512 0.04707 0.01502 -0.24483 70 3S -1.23787 -0.08799 0.26093 0.10806 -1.75908 71 3PX 0.37764 0.88208 0.04279 0.29091 0.42487 72 3PY -0.88478 -0.55256 -0.24193 0.53881 -0.09249 73 3PZ 0.15643 0.21495 0.32460 0.25352 -1.13250 74 4XX 0.01137 -0.01226 -0.00312 -0.00098 -0.00567 75 4YY 0.01128 0.03112 0.00179 -0.01105 -0.00155 76 4ZZ -0.01356 -0.01082 -0.00586 0.00758 0.00372 77 4XY -0.01301 -0.01211 0.00729 0.00654 -0.01395 78 4XZ -0.01494 -0.01604 0.00500 0.00534 0.00154 79 4YZ -0.00927 0.00714 0.00978 -0.00665 -0.01750 80 6 C 1S -0.06769 -0.12721 -0.01047 -0.04891 0.01512 81 2S 0.00540 0.16687 -0.02625 0.08707 -0.03720 82 2PX 0.05738 0.09654 -0.04351 -0.23768 -0.00042 83 2PY -0.18007 -0.04135 0.01078 0.09667 -0.18966 84 2PZ -0.11943 0.05371 -0.00230 -0.05849 0.04203 85 3S 1.96496 2.58065 0.23772 2.38065 -0.83146 86 3PX 0.14227 -0.10044 -0.12043 -1.43086 0.87156 87 3PY -0.83142 -0.07471 -0.04010 0.25826 -1.32195 88 3PZ -0.54790 -0.04132 -0.25821 -0.68535 0.16778 89 4XX -0.00213 0.00475 -0.00685 0.00592 -0.00844 90 4YY -0.01068 -0.01462 -0.00501 0.00614 -0.00497 91 4ZZ -0.00648 -0.00516 -0.00724 0.00137 0.00090 92 4XY 0.00344 -0.00418 -0.00542 -0.00321 0.00344 93 4XZ -0.00088 -0.00291 -0.00515 0.00426 -0.01608 94 4YZ -0.01257 -0.01070 -0.00529 0.00694 0.01045 95 7 C 1S -0.06587 0.12121 -0.00473 -0.04176 -0.01690 96 2S 0.02271 -0.14715 -0.11185 0.08854 0.02312 97 2PX 0.16246 -0.04063 -0.08560 -0.14560 -0.07598 98 2PY 0.04962 0.10892 0.02809 0.20212 0.04207 99 2PZ 0.14733 0.02038 0.06878 -0.01049 -0.12429 100 3S 2.09215 -2.42514 0.21871 1.98818 0.64743 101 3PX 0.65975 0.05187 0.25173 -0.70002 -0.97276 102 3PY 0.26439 -0.06275 -0.37462 1.64009 0.45867 103 3PZ 0.66557 -0.01177 -0.11793 0.32404 -0.83610 104 4XX -0.00519 0.00421 -0.01044 0.00268 -0.00907 105 4YY 0.00156 0.00944 -0.02229 0.00354 0.01496 106 4ZZ -0.00307 0.00479 -0.00680 0.00222 -0.00892 107 4XY -0.00678 0.00362 0.00666 -0.00219 -0.01449 108 4XZ -0.00987 0.01050 -0.00083 0.00787 0.00171 109 4YZ -0.00365 0.00833 -0.00130 0.00402 -0.00148 110 8 C 1S 0.03741 -0.03683 0.01737 -0.02104 -0.06075 111 2S 0.03838 0.07615 -0.02842 -0.02382 0.00872 112 2PX 0.18328 -0.15463 -0.00557 -0.09771 -0.09301 113 2PY -0.04240 0.03062 0.05042 -0.03403 -0.10227 114 2PZ 0.02656 -0.04822 0.06914 -0.04049 0.14021 115 3S -1.16708 0.36673 -0.45718 0.66450 2.19117 116 3PX 0.95396 -0.56497 -0.02903 -0.38810 -0.59215 117 3PY -0.35841 0.62116 0.42158 -0.84138 -0.75303 118 3PZ 0.55951 -0.18355 0.05623 -0.59644 0.20881 119 4XX 0.02424 -0.01667 -0.01028 -0.01413 -0.00750 120 4YY -0.00338 0.02527 -0.01106 -0.00464 -0.00635 121 4ZZ -0.00723 -0.01249 0.01773 0.00729 0.00603 122 4XY -0.00594 -0.00203 0.00117 -0.00862 0.01191 123 4XZ 0.00983 -0.01610 -0.01135 -0.01760 0.01162 124 4YZ -0.01096 0.00983 -0.00646 0.00389 0.02900 125 9 C 1S 0.00319 -0.03195 0.01744 0.00754 0.00178 126 2S -0.04265 0.02056 -0.09551 0.02663 0.00825 127 2PX -0.07242 0.03564 -0.05800 0.06499 -0.02936 128 2PY -0.03847 0.01907 0.07383 -0.03245 -0.22497 129 2PZ -0.07511 -0.11249 -0.00746 0.04844 0.02120 130 3S -0.00199 1.20701 -0.33918 -0.59487 0.32236 131 3PX -0.34796 -0.14913 0.27937 0.10611 -0.23209 132 3PY -0.12086 -0.26021 0.64400 -0.16588 -1.83047 133 3PZ -0.31832 -0.98028 0.18768 0.49045 -0.02447 134 4XX 0.00920 -0.00520 0.00922 -0.01175 -0.00304 135 4YY -0.00166 0.00696 -0.00178 -0.00020 -0.00252 136 4ZZ -0.01539 0.00022 -0.01653 0.00779 0.00805 137 4XY 0.00954 -0.00152 -0.00026 -0.00157 -0.00796 138 4XZ -0.00643 0.00059 -0.00861 -0.00370 0.00787 139 4YZ 0.00643 -0.01531 0.00633 0.00222 -0.01895 140 10 H 1S -0.06359 -0.02498 -0.01581 0.00985 -0.06982 141 2S 0.21937 -0.53424 0.03891 0.04485 0.28935 142 11 H 1S -0.06022 0.02307 0.04072 0.03191 -0.10136 143 2S -0.03371 -0.00095 -0.04293 0.54709 -0.30412 144 12 H 1S -0.05128 -0.00419 -0.05534 0.03155 0.13514 145 2S -0.16622 -0.14413 -0.21453 0.81889 -0.03789 146 13 H 1S -0.04978 0.02308 -0.07797 0.02762 0.08326 147 2S 0.39083 0.50108 0.05720 -0.32572 -0.25064 148 14 C 1S 0.02956 0.04324 0.00643 0.05757 -0.01453 149 2S -0.02326 -0.03654 0.00429 0.03897 -0.03679 150 2PX -0.02339 -0.00975 0.01940 -0.02575 -0.06541 151 2PY 0.16981 -0.07222 -0.02244 -0.00953 0.08809 152 2PZ 0.08100 -0.06159 -0.01501 -0.01143 0.04515 153 3S -0.82935 -1.02958 -0.29353 -2.10458 1.03320 154 3PX -0.60840 -0.66971 -0.19185 -1.65350 0.59377 155 3PY 0.85475 -0.00441 0.01242 -0.09259 0.61866 156 3PZ 0.17564 -0.46955 -0.06064 -1.18361 0.58129 157 4XX 0.01146 0.00665 0.00337 0.02102 -0.00491 158 4YY -0.00516 -0.01173 -0.00088 -0.01671 0.00183 159 4ZZ -0.00610 0.00913 0.00217 0.01083 0.00214 160 4XY -0.00781 0.00992 0.00423 0.00252 -0.01751 161 4XZ -0.00277 0.00720 0.00514 0.01254 -0.00147 162 4YZ -0.01545 -0.00651 -0.00165 -0.01447 -0.00078 163 15 H 1S 0.02356 -0.03722 -0.01163 -0.02100 0.04796 164 2S -0.70716 0.17722 0.04169 -0.00295 -0.53742 165 16 H 1S -0.03253 0.02792 0.00760 -0.05923 -0.01454 166 2S 0.91909 -0.12898 -0.02601 -0.55152 0.59982 167 17 C 1S 0.03931 -0.03813 0.00351 0.05256 0.01016 168 2S -0.03396 0.04660 -0.01141 0.05142 0.05243 169 2PX -0.10208 -0.06049 0.00377 -0.00151 0.12445 170 2PY -0.07238 -0.08404 0.00688 0.03208 -0.05779 171 2PZ -0.09502 -0.07404 -0.02662 -0.00166 0.02630 172 3S -1.03597 0.86168 0.23083 -2.11788 -0.82831 173 3PX -0.79292 0.15850 -0.03459 -0.63635 0.16843 174 3PY 0.28437 -0.73482 -0.12636 1.78768 0.49317 175 3PZ -0.41870 -0.28525 -0.08160 0.59720 0.57147 176 4XX 0.00347 0.01142 -0.00175 -0.00417 -0.00856 177 4YY 0.00024 -0.01263 0.01137 0.02114 0.00470 178 4ZZ -0.00410 -0.00072 -0.00078 -0.00024 0.00965 179 4XY -0.01308 0.00037 -0.00339 -0.01538 0.00323 180 4XZ -0.00906 0.01207 0.00308 -0.01721 -0.00798 181 4YZ -0.01349 -0.00233 -0.00112 -0.00046 0.01217 182 18 H 1S -0.03291 -0.02004 0.00766 -0.06191 0.03699 183 2S 0.90254 0.30494 0.10111 -0.52163 -0.38825 184 19 H 1S 0.02996 0.03518 0.00261 -0.01168 -0.05075 185 2S -0.43333 -0.21919 -0.06575 -0.04940 0.54054 66 67 68 69 70 V V V V V Eigenvalues -- 0.35136 0.37053 0.38684 0.41414 0.42041 1 1 S 1S 0.00346 -0.00453 -0.02818 0.00500 0.02085 2 2S 0.01063 -0.02460 -0.01292 0.04110 -0.01076 3 2PX 0.09599 -0.03017 -0.01806 0.07583 0.06673 4 2PY 0.10006 -0.02432 0.09574 0.10803 -0.12721 5 2PZ 0.19276 -0.03992 -0.00102 -0.10237 0.00372 6 3S 0.13621 -0.20000 -0.80909 0.25763 0.53078 7 3PX -0.39871 0.15355 0.10906 -0.32831 -0.28082 8 3PY -0.41732 0.11169 -0.36358 -0.44500 0.50679 9 3PZ -0.80301 0.15266 -0.00271 0.41800 0.00907 10 4S -0.40165 0.66946 2.01384 -1.13123 -0.97769 11 4PX 0.64533 -0.61853 -0.91115 0.96992 0.42538 12 4PY 0.58510 -0.35968 0.79568 0.68046 -0.77842 13 4PZ 1.31173 -0.10012 -0.08043 -0.83024 -0.22006 14 5XX 0.03003 -0.06877 -0.11824 -0.03324 -0.00209 15 5YY -0.04882 0.04710 0.03540 0.08681 -0.05190 16 5ZZ 0.00172 -0.00159 0.04589 -0.00259 0.08137 17 5XY -0.00316 -0.06074 0.04232 0.05672 -0.06254 18 5XZ 0.07772 0.02728 0.02881 -0.04153 0.02553 19 5YZ -0.02298 0.03886 -0.11678 -0.08987 0.11501 20 2 O 1S -0.00966 0.00640 0.03448 -0.00372 -0.00842 21 2S -0.00422 -0.04295 -0.00239 0.07056 -0.04645 22 2PX -0.00807 0.09566 0.06326 -0.10226 0.01565 23 2PY 0.00441 -0.00940 -0.13510 -0.12713 0.17181 24 2PZ -0.04798 -0.04461 0.12247 0.07931 -0.07098 25 3S 0.19810 -0.00850 -0.81591 -0.17893 0.43912 26 3PX -0.06083 0.09881 0.09504 -0.10944 -0.01774 27 3PY -0.12713 0.04990 0.14714 -0.08507 0.02541 28 3PZ -0.11483 -0.00578 -0.08416 0.08856 0.05231 29 4XX -0.01220 -0.01046 0.03936 0.02435 -0.03590 30 4YY 0.02187 -0.02315 -0.00376 -0.00282 0.00390 31 4ZZ -0.03462 0.00584 0.01324 0.02277 -0.00647 32 4XY 0.01758 -0.00091 -0.00135 0.00493 0.00992 33 4XZ -0.00261 -0.00363 0.00850 -0.00848 -0.01163 34 4YZ 0.01184 0.00298 0.04371 0.00999 -0.02967 35 3 O 1S -0.01138 0.02858 0.02488 -0.01550 0.00153 36 2S -0.04952 -0.02273 -0.05967 -0.01814 0.01351 37 2PX -0.05353 0.03966 0.04437 -0.00870 0.01489 38 2PY -0.14804 0.06886 -0.10726 -0.03493 -0.02408 39 2PZ -0.14370 -0.04243 0.03833 -0.06138 0.01928 40 3S 0.44482 -0.50630 -0.38084 0.48490 -0.05968 41 3PX 0.14692 0.04154 0.06695 0.03080 0.03489 42 3PY 0.13332 -0.06158 -0.28750 0.02259 0.00295 43 3PZ -0.10723 -0.19349 -0.07918 0.19338 -0.04967 44 4XX -0.03095 0.02956 0.00225 -0.01398 0.02987 45 4YY 0.00438 0.00412 -0.01930 -0.02678 0.00581 46 4ZZ -0.04037 0.00729 0.00950 0.00729 -0.01906 47 4XY 0.03094 -0.00338 -0.01305 0.01695 0.00617 48 4XZ 0.01979 -0.01976 0.00479 0.00389 -0.01814 49 4YZ 0.02957 -0.02118 -0.01663 0.02550 0.00344 50 4 C 1S 0.02150 0.08479 0.02117 0.01653 0.03970 51 2S 0.04588 -0.10327 -0.04415 0.14285 0.06520 52 2PX 0.00212 -0.06499 -0.00260 0.04183 -0.00508 53 2PY -0.07062 -0.19385 -0.09599 -0.03266 -0.03900 54 2PZ -0.03520 0.10910 -0.13518 0.09104 -0.07247 55 3S -0.93446 -2.49156 -1.45785 -0.52996 -2.07079 56 3PX -0.12012 -0.41096 -0.45691 -0.03115 -0.51962 57 3PY -0.68735 -1.85534 -0.89756 -0.43222 -1.53908 58 3PZ 0.12402 0.34393 -0.94505 -0.41387 -0.90740 59 4XX -0.00268 -0.00231 0.00076 -0.01010 0.00672 60 4YY 0.01470 -0.00123 -0.01530 0.03586 0.01718 61 4ZZ -0.00004 0.00376 -0.00200 0.00943 -0.01441 62 4XY -0.00515 0.01165 -0.00375 0.00810 0.00580 63 4XZ 0.00385 -0.00648 0.00215 0.01161 0.00297 64 4YZ 0.00039 -0.00567 -0.00556 0.00984 0.01992 65 5 C 1S -0.02603 -0.06394 -0.02627 -0.01600 -0.04139 66 2S 0.00623 0.14692 0.01488 0.01027 0.07965 67 2PX -0.06462 0.18255 -0.07156 0.00174 -0.03911 68 2PY 0.09856 0.05935 0.18771 -0.04193 0.28746 69 2PZ 0.07894 0.09963 0.00802 -0.03387 -0.13696 70 3S 0.69746 0.84417 0.75141 0.26950 1.11988 71 3PX 0.30300 0.47042 -0.35664 -0.40420 -0.27430 72 3PY 0.33616 -0.14596 1.02270 0.00383 1.04185 73 3PZ 0.47008 0.99339 0.01503 -0.20796 0.62157 74 4XX 0.00008 0.00637 0.00281 -0.01677 -0.00888 75 4YY -0.00823 0.01592 -0.00592 0.00987 0.01267 76 4ZZ 0.00916 -0.02174 0.00457 -0.00584 0.00222 77 4XY -0.00890 0.00581 0.01219 -0.00045 0.01481 78 4XZ -0.01371 0.00665 0.00323 -0.00423 -0.00058 79 4YZ -0.00250 -0.00339 -0.01042 0.01720 -0.00700 80 6 C 1S 0.00445 0.06566 0.00900 -0.00694 0.02893 81 2S 0.10080 -0.09016 -0.20320 0.12395 0.08860 82 2PX -0.01286 -0.00499 -0.17755 0.15836 -0.14162 83 2PY 0.06191 -0.11025 0.08076 0.12829 0.16397 84 2PZ -0.07942 -0.06321 0.11400 0.17036 -0.02182 85 3S -0.29873 -1.82363 0.75672 -0.47952 -0.15795 86 3PX -0.27267 0.58658 -1.29769 1.76073 -1.68970 87 3PY 0.05557 -0.87845 1.25707 0.97335 0.91175 88 3PZ -0.15960 -0.19039 0.02884 1.66504 -0.49356 89 4XX -0.00419 0.00355 -0.00138 0.01281 0.03273 90 4YY 0.01762 0.00194 -0.00635 0.00026 0.00411 91 4ZZ -0.00005 -0.00682 -0.01798 0.01144 -0.00093 92 4XY -0.01693 -0.00024 -0.00143 0.00069 -0.01908 93 4XZ 0.00548 -0.00210 -0.01940 0.01494 0.02542 94 4YZ 0.00781 0.00761 -0.00448 -0.00039 0.01450 95 7 C 1S -0.00988 -0.06248 0.01720 -0.00144 -0.03397 96 2S 0.03634 0.01639 -0.14071 0.12156 0.16367 97 2PX -0.12963 -0.15115 0.14217 0.13880 0.17710 98 2PY 0.06431 0.00568 -0.04147 0.09151 -0.05426 99 2PZ -0.00325 -0.07486 0.04782 0.15713 -0.01957 100 3S 0.50080 2.32218 -0.26831 -0.10161 -0.12127 101 3PX -0.28102 -1.27837 1.05765 0.29176 1.73768 102 3PY 0.11630 0.55296 -0.25303 2.05349 -1.71583 103 3PZ -0.19048 -0.33553 0.59462 1.25488 0.05029 104 4XX 0.01250 0.00239 0.01246 -0.01461 -0.01786 105 4YY -0.00432 -0.00066 -0.02697 0.02623 0.01078 106 4ZZ -0.00652 -0.00194 0.01299 0.00797 0.00733 107 4XY 0.00008 -0.00343 0.01304 0.00752 0.00552 108 4XZ 0.01654 -0.01526 -0.01049 0.00833 0.01426 109 4YZ 0.00370 -0.01175 -0.02255 0.01809 -0.00024 110 8 C 1S -0.01644 0.05608 0.01657 0.01705 0.04050 111 2S 0.11192 -0.05391 0.11441 -0.17684 -0.11701 112 2PX -0.03597 -0.07577 0.02874 0.04142 0.05482 113 2PY 0.10293 0.02039 -0.11890 0.12343 -0.11506 114 2PZ -0.00672 0.01831 0.05005 0.18424 0.18270 115 3S -0.15662 -0.93102 -0.99231 0.27492 -0.93630 116 3PX -0.19084 -0.00342 0.54479 0.38588 1.21332 117 3PY 0.25775 1.18047 -0.39399 -0.57913 0.28675 118 3PZ -0.10824 -0.01306 1.14895 -0.65761 0.51715 119 4XX -0.00381 -0.00277 0.01904 0.00052 0.01551 120 4YY 0.02427 0.02124 0.01999 -0.01332 -0.02506 121 4ZZ -0.01548 -0.01576 -0.02084 -0.01177 -0.01072 122 4XY 0.01200 0.01910 -0.01314 -0.01840 0.00561 123 4XZ 0.01469 -0.00039 0.00371 -0.01197 -0.00731 124 4YZ -0.00382 -0.00987 0.00807 0.01186 -0.00299 125 9 C 1S -0.02109 -0.07348 -0.01581 -0.03669 -0.03681 126 2S 0.02471 0.00494 -0.11971 0.14872 0.05227 127 2PX -0.09924 0.03170 -0.05352 -0.04229 -0.12221 128 2PY 0.07158 0.12188 -0.10343 -0.07616 -0.09594 129 2PZ -0.02510 -0.17696 0.05102 -0.03405 -0.10631 130 3S 0.75525 2.53026 1.27773 0.44991 2.09025 131 3PX -0.15398 -0.61967 -0.72118 -0.21181 -0.74333 132 3PY -0.10301 0.07518 -1.24447 0.10916 -0.78151 133 3PZ -0.51735 -1.77246 -0.99228 -0.49155 -1.16195 134 4XX 0.00207 0.00124 -0.01372 -0.00898 0.00624 135 4YY 0.00123 0.00578 -0.00105 -0.00169 0.01197 136 4ZZ -0.00095 -0.01483 -0.00656 0.00825 0.00208 137 4XY -0.00296 -0.00742 0.00030 0.00797 -0.00166 138 4XZ -0.00057 -0.01073 -0.01584 0.01655 0.00405 139 4YZ -0.00832 -0.01544 -0.01566 0.01632 -0.00496 140 10 H 1S 0.02824 0.02662 -0.01942 0.11820 0.01461 141 2S -0.36635 -0.93793 -0.23934 -0.19258 -0.54847 142 11 H 1S -0.02340 -0.05412 -0.01814 0.01951 -0.00887 143 2S 0.38495 0.18731 0.27903 -0.31263 0.42906 144 12 H 1S -0.00598 0.06169 -0.05195 0.02064 0.02497 145 2S -0.25511 -0.05864 -0.34675 0.34005 -0.26599 146 13 H 1S -0.01142 -0.07027 -0.00638 0.09194 -0.01188 147 2S 0.23178 0.86169 0.31458 0.28889 0.42395 148 14 C 1S 0.00386 -0.01905 0.01086 -0.01694 0.00258 149 2S 0.04837 0.01484 -0.05903 0.00237 0.15588 150 2PX 0.03979 0.07852 -0.08439 0.11217 0.16584 151 2PY -0.02320 0.01949 -0.09391 -0.02058 -0.00481 152 2PZ -0.01985 0.01764 -0.02923 0.03070 0.02106 153 3S -0.23335 0.73584 -0.92548 1.54908 -1.36454 154 3PX -0.19070 0.75441 -0.53888 1.48314 -0.95113 155 3PY -0.10617 0.17648 -0.40004 -0.81029 -0.21257 156 3PZ -0.11941 0.60665 -0.75712 0.54285 -0.71541 157 4XX 0.01296 -0.00816 -0.01967 -0.01007 0.00409 158 4YY 0.00106 0.01515 -0.01295 0.01456 -0.00387 159 4ZZ -0.00014 -0.00504 0.01510 -0.00050 0.01138 160 4XY 0.00487 -0.01168 0.01689 0.00355 0.01289 161 4XZ 0.00594 -0.00453 0.00752 -0.00412 0.00829 162 4YZ 0.00515 0.00109 0.00140 0.01450 -0.00068 163 15 H 1S -0.00854 0.07107 -0.09906 0.06736 -0.07273 164 2S 0.09221 0.08504 0.27974 0.97861 0.08376 165 16 H 1S 0.01413 -0.00057 0.02355 0.07290 -0.00127 166 2S -0.15967 0.42487 -0.63896 -0.04286 -0.40676 167 17 C 1S 0.01611 0.03066 -0.00570 0.00420 -0.00775 168 2S 0.01687 -0.04038 -0.17255 0.09774 0.03960 169 2PX 0.01697 -0.04552 -0.12545 -0.08768 0.03351 170 2PY -0.01208 0.08307 0.10178 -0.01062 0.00270 171 2PZ 0.02476 0.08018 0.10190 -0.05872 -0.09235 172 3S -0.37938 -1.17870 0.74456 -1.29983 1.45431 173 3PX -0.07532 -0.23475 0.00689 -1.13493 0.11520 174 3PY 0.44510 1.39384 -0.58297 0.90426 -1.22185 175 3PZ 0.20013 0.48881 -0.41849 -0.23946 -0.38816 176 4XX -0.00404 -0.01416 -0.00757 0.01496 0.02632 177 4YY 0.01667 0.01247 -0.02253 -0.00219 -0.00247 178 4ZZ -0.00270 -0.00672 -0.00439 -0.00586 0.00342 179 4XY 0.00037 0.00415 0.00613 -0.01884 -0.01957 180 4XZ -0.00536 -0.01953 -0.00080 -0.00637 0.01111 181 4YZ 0.00865 0.00391 -0.00535 -0.01379 0.00172 182 18 H 1S 0.01636 -0.02105 -0.01908 -0.08555 0.01634 183 2S -0.20148 -0.65264 0.25279 0.35054 0.52547 184 19 H 1S -0.03254 -0.09269 0.00867 0.00553 0.11569 185 2S 0.05961 -0.07787 -0.20638 -1.01509 -0.06192 71 72 73 74 75 V V V V V Eigenvalues -- 0.44060 0.47359 0.48760 0.51433 0.53024 1 1 S 1S -0.00076 -0.00069 -0.00536 -0.00328 0.00949 2 2S -0.03314 0.00973 -0.01067 -0.00138 0.00924 3 2PX -0.02603 0.02465 -0.07769 -0.02408 0.03123 4 2PY -0.11893 0.01848 -0.04588 0.00852 -0.00890 5 2PZ 0.08851 -0.01090 0.03031 -0.00405 -0.00938 6 3S -0.11381 0.00739 -0.17877 -0.08867 0.28583 7 3PX 0.12240 -0.10827 0.32125 0.08551 -0.15090 8 3PY 0.49541 -0.06355 0.18964 -0.03719 0.02090 9 3PZ -0.36372 0.05579 -0.12926 0.01508 0.04835 10 4S 0.58030 -0.04498 0.55978 0.25569 -0.74209 11 4PX -0.44880 0.09832 -0.54443 -0.05939 0.46350 12 4PY -0.49751 0.08779 -0.11127 0.19589 -0.08570 13 4PZ 0.49446 -0.07788 0.23891 0.03873 -0.13956 14 5XX 0.01748 -0.08257 0.16592 0.15811 -0.00449 15 5YY -0.12287 -0.03213 -0.07954 -0.03779 0.03135 16 5ZZ 0.05543 0.13424 -0.10099 -0.13459 0.00113 17 5XY -0.01766 -0.02239 0.05278 0.10142 0.06069 18 5XZ 0.01804 -0.01293 0.05928 -0.02113 -0.04279 19 5YZ 0.06768 0.00444 -0.08245 -0.08664 0.04085 20 2 O 1S 0.00489 -0.00288 0.00779 0.00388 -0.00839 21 2S -0.03689 0.04720 -0.03884 0.03732 0.01071 22 2PX 0.01675 -0.01624 0.04827 -0.08181 -0.05725 23 2PY 0.15649 0.00427 0.05839 -0.00699 0.01391 24 2PZ -0.02739 0.07508 0.02860 0.02663 -0.03763 25 3S 0.08994 -0.07121 -0.04552 -0.17928 0.17382 26 3PX 0.04860 -0.00580 0.02674 0.01344 -0.05153 27 3PY 0.08560 -0.01727 0.05123 0.00108 -0.04567 28 3PZ -0.06595 0.00849 -0.06681 -0.02982 0.05245 29 4XX -0.01466 0.00721 0.00938 0.02842 -0.01112 30 4YY 0.02286 0.02011 -0.00208 0.01108 0.00132 31 4ZZ -0.01312 0.00833 -0.02273 0.00598 0.00309 32 4XY -0.00238 0.00351 -0.00657 -0.00813 -0.00655 33 4XZ 0.00919 0.00219 0.01535 0.01225 -0.00309 34 4YZ -0.01257 0.00790 -0.00256 -0.00219 -0.01167 35 3 O 1S 0.00254 0.00445 0.00426 -0.00500 0.00528 36 2S -0.01909 -0.03669 0.01625 0.01489 0.10727 37 2PX 0.04021 0.03257 0.03797 0.04132 -0.16168 38 2PY -0.00879 0.03392 -0.05053 -0.01204 0.09058 39 2PZ 0.06189 -0.00571 0.02389 -0.07201 0.12019 40 3S 0.03175 0.12786 -0.28324 -0.05043 -0.54475 41 3PX -0.07058 -0.03792 -0.00889 -0.04516 0.19953 42 3PY -0.04113 0.08364 -0.00481 0.01937 0.13436 43 3PZ 0.03636 -0.04476 -0.09477 0.03750 -0.08526 44 4XX 0.00029 0.01899 -0.02441 -0.01854 -0.01160 45 4YY 0.00834 -0.00288 0.02682 0.00198 0.04952 46 4ZZ -0.02077 -0.02770 0.00955 0.01752 0.03734 47 4XY -0.00976 0.01786 -0.04676 -0.02490 -0.02236 48 4XZ -0.01733 -0.02135 0.00105 -0.00076 0.04726 49 4YZ -0.01963 -0.00906 0.01017 0.02871 0.02681 50 4 C 1S -0.00892 0.01129 0.01499 -0.00107 0.00422 51 2S -0.17299 0.08707 0.07661 -0.15893 0.05068 52 2PX -0.01916 0.18714 -0.14880 0.13368 -0.29616 53 2PY -0.00533 0.08677 0.01103 -0.10957 0.09510 54 2PZ -0.07988 0.33823 0.24320 -0.10996 -0.02993 55 3S 0.91627 -0.00479 -0.06061 0.06532 -0.12508 56 3PX 0.07803 -0.27000 0.03627 -0.12438 0.14123 57 3PY 0.53157 -0.20429 -0.09775 0.02593 -0.14745 58 3PZ -0.51685 -0.23292 -0.32224 0.19505 0.13209 59 4XX 0.00715 -0.00060 -0.00826 0.01805 0.00342 60 4YY -0.02318 0.00233 0.05307 0.00738 -0.00789 61 4ZZ -0.00747 0.01232 -0.01455 -0.05430 0.01737 62 4XY -0.00280 0.02049 0.00291 -0.00196 -0.01836 63 4XZ -0.00171 0.00784 0.00883 -0.00631 0.02165 64 4YZ 0.00385 0.03259 0.01687 -0.00883 0.00790 65 5 C 1S 0.01941 -0.01642 -0.00610 0.00687 0.01111 66 2S 0.01283 0.18443 -0.01888 -0.05452 -0.00427 67 2PX 0.01235 0.10597 -0.32866 -0.22802 -0.47561 68 2PY 0.07613 0.23765 0.02340 0.06692 0.06658 69 2PZ -0.03264 -0.07722 -0.01491 -0.11770 0.27977 70 3S -0.84198 -0.48152 -0.09310 -0.19430 -0.16824 71 3PX -0.60077 0.27857 0.29158 0.42197 1.15677 72 3PY -0.41676 -0.39467 -0.18146 -0.37152 -0.36227 73 3PZ -0.88744 0.43501 -0.05988 0.00435 -0.54481 74 4XX -0.00201 0.01582 -0.01610 -0.02753 0.02207 75 4YY 0.00168 0.02603 0.02060 0.01251 -0.00161 76 4ZZ -0.00455 -0.04039 -0.00967 0.00762 0.02292 77 4XY 0.00744 -0.01833 0.02963 0.02192 -0.01574 78 4XZ 0.00048 -0.01345 -0.01292 0.00843 -0.04339 79 4YZ -0.00491 -0.00390 0.04329 0.03413 -0.03146 80 6 C 1S -0.03909 -0.00487 0.01854 0.02344 0.00759 81 2S -0.07603 -0.07534 -0.00244 -0.23270 0.05195 82 2PX 0.12609 0.03980 -0.22627 0.01764 -0.01737 83 2PY 0.24236 -0.14355 -0.09923 0.01004 -0.17829 84 2PZ 0.20913 -0.09685 0.12588 -0.30064 -0.04483 85 3S 0.37752 0.33658 -0.00655 0.57564 0.28511 86 3PX 1.90120 -0.24718 0.59621 0.38165 0.70930 87 3PY 0.79247 -0.30758 0.07237 -0.26070 -0.51446 88 3PZ 1.80945 -0.46404 0.26016 0.31494 0.44197 89 4XX -0.02102 -0.02122 0.04340 0.00654 -0.00623 90 4YY -0.00354 0.03419 -0.01000 -0.02151 0.05521 91 4ZZ -0.01663 -0.02046 -0.02186 0.00028 -0.01523 92 4XY -0.01199 -0.02644 -0.02521 -0.02340 -0.02264 93 4XZ -0.04352 -0.03169 0.01358 0.02708 -0.00533 94 4YZ -0.02192 0.00349 -0.00678 -0.02244 0.03992 95 7 C 1S 0.03785 -0.00111 0.01382 -0.01623 -0.04565 96 2S -0.14152 -0.08789 0.01522 -0.19011 0.10951 97 2PX 0.11598 0.04383 -0.12942 0.14431 0.14127 98 2PY 0.34226 0.01767 0.01149 0.09816 -0.10321 99 2PZ 0.16173 -0.05934 0.24583 -0.16473 -0.05265 100 3S 0.09751 0.44136 -0.06115 0.23374 0.04890 101 3PX -0.16254 -0.19659 0.08446 -0.30717 -0.52331 102 3PY 2.50949 -0.17077 0.11764 0.35024 0.92884 103 3PZ 1.28312 -0.24114 -0.07279 0.11053 0.13109 104 4XX 0.00431 0.03469 0.02070 -0.03804 0.00038 105 4YY -0.00605 -0.04189 0.00750 -0.00304 -0.04036 106 4ZZ -0.00243 0.00296 -0.01842 -0.02482 0.01332 107 4XY 0.00221 -0.00786 -0.03504 0.00162 0.03732 108 4XZ 0.02025 0.03601 -0.01859 -0.03925 0.00545 109 4YZ 0.00849 -0.03240 0.00884 -0.03722 -0.02487 110 8 C 1S -0.01534 -0.01945 0.00021 0.01099 0.01102 111 2S 0.11433 0.11567 0.06379 -0.14065 -0.11082 112 2PX -0.03283 -0.22949 0.01422 0.26966 0.11163 113 2PY -0.06642 0.12377 0.21581 0.19139 -0.07019 114 2PZ -0.19022 -0.23012 -0.04630 0.02031 0.00474 115 3S 0.21887 -0.30222 -0.38308 0.16153 0.63055 116 3PX -0.30331 0.14468 -0.12079 -0.33208 -0.13068 117 3PY -0.94890 -0.19231 -0.21899 -0.22569 -0.05320 118 3PZ 0.05265 0.13963 0.21190 -0.05847 -0.37010 119 4XX 0.00882 0.02976 -0.01098 -0.02882 0.01169 120 4YY 0.01191 -0.04631 -0.00454 0.00241 0.00635 121 4ZZ 0.00121 0.01805 0.01790 0.01839 -0.01239 122 4XY -0.00919 -0.01964 0.02529 -0.00086 -0.03987 123 4XZ -0.00606 -0.01907 0.04295 0.02278 -0.00895 124 4YZ -0.01281 -0.00322 0.03572 0.03785 -0.02853 125 9 C 1S 0.01681 0.00871 0.00232 -0.01196 -0.01562 126 2S -0.08871 0.06198 0.11397 -0.18340 0.04119 127 2PX 0.00032 -0.07070 -0.20076 0.32847 0.11797 128 2PY -0.01862 -0.36071 -0.13230 -0.01868 0.07825 129 2PZ -0.03215 -0.09151 0.02775 -0.04222 -0.10861 130 3S -0.72170 0.02592 -0.09886 0.14883 0.03688 131 3PX -0.10595 0.21657 0.17854 -0.27360 -0.19953 132 3PY -0.63159 0.66481 0.22499 0.03199 -0.08358 133 3PZ 0.74472 0.19544 0.05719 -0.00749 0.06075 134 4XX 0.01067 -0.00217 0.01595 -0.00088 0.01170 135 4YY -0.01300 0.00900 -0.02397 -0.05259 -0.00220 136 4ZZ -0.01472 -0.00124 0.03315 0.00503 -0.02336 137 4XY -0.00654 0.00939 0.00608 -0.01617 0.02510 138 4XZ -0.02421 0.01170 0.02293 -0.01622 -0.01405 139 4YZ -0.00903 0.03700 0.00559 0.00767 -0.00459 140 10 H 1S -0.10439 0.00889 0.15525 0.02092 -0.07737 141 2S 0.25600 -0.07670 -0.11839 -0.13415 0.00066 142 11 H 1S -0.02287 -0.11292 0.13728 0.15252 -0.07247 143 2S -0.48636 0.27227 -0.22779 -0.18766 0.05210 144 12 H 1S -0.06245 -0.13319 0.16600 0.15514 -0.07953 145 2S 0.52794 0.18139 -0.16168 -0.11182 0.27612 146 13 H 1S -0.09239 -0.00135 0.11754 0.01134 -0.10114 147 2S -0.32957 -0.04021 -0.09805 -0.03180 0.08594 148 14 C 1S -0.00244 0.00404 -0.00572 -0.00699 0.00150 149 2S -0.18149 -0.10963 0.12533 0.06355 0.03538 150 2PX -0.06765 -0.05492 0.11170 0.33428 -0.18166 151 2PY -0.05664 -0.04654 -0.20213 0.04636 -0.30739 152 2PZ -0.11126 -0.25672 0.24557 -0.19087 0.19837 153 3S 1.69905 -0.15756 0.25037 0.14970 0.43723 154 3PX 1.52378 -0.23623 0.09078 -0.30831 0.57918 155 3PY -0.81071 0.33262 0.16122 0.09281 0.53298 156 3PZ 0.50808 0.25036 -0.11628 0.26244 0.12080 157 4XX -0.01876 -0.01112 -0.00966 0.00774 -0.00367 158 4YY -0.00042 -0.00518 -0.00292 -0.01210 0.00367 159 4ZZ 0.00653 -0.00085 0.02691 0.00307 0.02073 160 4XY 0.02011 0.02031 0.01853 0.02825 0.00369 161 4XZ 0.00530 0.00887 0.02132 -0.00527 0.01435 162 4YZ 0.02220 0.00905 0.00406 0.01290 0.02747 163 15 H 1S 0.01761 -0.10646 -0.08974 -0.11672 -0.03579 164 2S 1.01687 -0.25352 0.14416 -0.03355 -0.01669 165 16 H 1S 0.11249 0.08918 0.10083 0.06841 0.15652 166 2S -0.27266 0.04156 0.00685 0.06679 0.22922 167 17 C 1S 0.01113 0.00200 -0.00326 -0.00098 0.01051 168 2S 0.06201 -0.10755 0.09519 -0.10101 -0.16341 169 2PX 0.03442 0.14428 0.04094 0.21295 -0.04748 170 2PY 0.07862 0.19916 -0.21289 0.17496 0.33950 171 2PZ -0.07438 0.04997 0.11311 -0.27764 0.00726 172 3S -1.69713 0.13364 -0.11890 -0.21364 -0.52393 173 3PX -1.34229 0.00924 -0.21233 -0.32906 -0.18019 174 3PY 1.35084 -0.24320 0.34540 0.04997 -0.02686 175 3PZ -0.06893 0.04069 -0.15467 0.31135 0.03236 176 4XX -0.00009 -0.02757 -0.02379 -0.00978 -0.00190 177 4YY 0.00476 0.00246 0.02700 -0.01784 -0.01033 178 4ZZ -0.00218 0.00969 0.00188 0.00112 -0.00306 179 4XY -0.01872 0.02580 0.00972 0.00691 -0.00210 180 4XZ -0.01096 -0.00153 -0.00324 -0.02372 0.00199 181 4YZ -0.00760 0.03294 -0.00171 0.00919 0.00683 182 18 H 1S -0.07923 0.14995 0.04927 -0.00614 0.02648 183 2S 0.07858 -0.19619 0.01904 -0.03412 -0.01175 184 19 H 1S -0.07753 -0.13009 -0.09652 -0.08156 -0.01382 185 2S -1.02573 0.21771 -0.10024 -0.03970 -0.14429 76 77 78 79 80 V V V V V Eigenvalues -- 0.53715 0.55569 0.57355 0.58512 0.59490 1 1 S 1S 0.00866 0.00032 -0.00462 -0.00608 -0.00996 2 2S -0.00028 -0.00126 -0.01210 -0.00363 -0.00743 3 2PX 0.03064 -0.00899 -0.00751 0.01765 -0.01948 4 2PY -0.00157 0.01626 0.01387 0.03744 0.02635 5 2PZ -0.04047 -0.00637 -0.00906 -0.00825 0.00906 6 3S 0.23838 0.00475 -0.17647 -0.17778 -0.28725 7 3PX -0.10779 0.05354 0.04728 -0.06534 0.11672 8 3PY 0.00832 -0.07881 -0.06276 -0.14045 -0.10755 9 3PZ 0.15612 0.01652 0.06040 0.03066 -0.06362 10 4S -0.78410 -0.14273 0.62721 0.38031 0.33010 11 4PX 0.30758 0.02882 -0.42591 -0.13377 -0.29523 12 4PY -0.09221 0.05308 0.46373 0.07298 -0.21041 13 4PZ -0.61344 -0.04480 -0.31256 -0.02625 0.14363 14 5XX -0.08295 -0.05171 -0.24744 -0.19427 -0.09423 15 5YY 0.06711 0.06649 -0.00499 0.04271 0.10684 16 5ZZ 0.01276 -0.01979 0.26934 0.14056 -0.06545 17 5XY 0.00197 -0.01279 0.11462 -0.10228 -0.20292 18 5XZ 0.10600 -0.03763 0.00987 -0.00448 0.14563 19 5YZ 0.02363 0.03038 -0.02980 0.09371 0.14287 20 2 O 1S -0.00107 -0.00087 0.02051 -0.00030 -0.00397 21 2S 0.00516 -0.07237 -0.04818 0.02217 -0.00775 22 2PX -0.00788 0.03551 -0.12213 0.00944 0.14081 23 2PY 0.03441 -0.06539 0.03596 -0.04892 -0.04018 24 2PZ 0.03848 -0.06977 0.14575 0.02723 -0.08427 25 3S 0.04450 0.13090 -0.38838 -0.09857 0.09133 26 3PX -0.01086 -0.02828 0.10515 0.04341 0.04020 27 3PY -0.00144 0.00844 0.10415 0.00127 -0.05865 28 3PZ 0.03079 0.03878 -0.09710 0.00867 0.03579 29 4XX -0.00892 -0.02410 -0.01506 -0.00764 -0.01326 30 4YY -0.00451 -0.03902 0.00294 0.00452 -0.01778 31 4ZZ 0.01381 -0.01594 -0.00009 0.01765 0.02483 32 4XY 0.01070 -0.00593 -0.00540 0.00889 0.02827 33 4XZ -0.00376 -0.00787 0.02018 -0.00592 -0.01657 34 4YZ -0.00265 0.00244 0.03838 0.01827 0.00204 35 3 O 1S -0.00182 -0.00423 0.01144 0.00253 0.01818 36 2S 0.00053 -0.06018 -0.05173 0.03579 0.00761 37 2PX -0.10036 -0.03399 -0.11446 -0.10501 -0.16234 38 2PY -0.03797 0.10672 -0.03067 -0.01753 0.00061 39 2PZ 0.06524 -0.08713 0.08666 0.08802 0.17883 40 3S -0.10712 0.41969 -0.10718 -0.10695 -0.61775 41 3PX 0.01904 -0.14490 0.07564 0.01914 0.23398 42 3PY 0.02714 0.01154 -0.08020 -0.00934 -0.01588 43 3PZ -0.01572 0.08913 -0.07911 -0.04305 -0.18459 44 4XX -0.02504 0.02047 -0.02802 0.04048 -0.01017 45 4YY -0.00054 -0.02839 -0.00264 0.00244 0.02119 46 4ZZ 0.00125 -0.03169 -0.00043 -0.01509 -0.00617 47 4XY -0.00170 -0.00152 0.00828 0.01015 -0.02336 48 4XZ 0.01760 -0.00151 0.00883 0.00883 0.04192 49 4YZ 0.00885 0.00317 -0.02745 -0.00584 -0.00482 50 4 C 1S -0.01103 -0.06477 -0.00282 -0.01312 0.00160 51 2S -0.09555 -0.00540 -0.08136 -0.09285 0.18119 52 2PX 0.15860 -0.16930 -0.46989 0.23081 0.10285 53 2PY -0.10825 0.24160 0.02079 -0.03134 0.06032 54 2PZ -0.22359 0.06446 0.02638 -0.10719 0.18345 55 3S -0.21887 0.76004 -0.21236 0.18187 0.27770 56 3PX -0.13006 0.46943 0.50410 -0.13825 -0.19357 57 3PY 0.04168 0.43739 -0.09305 0.05113 0.21455 58 3PZ 0.46655 0.28958 0.02397 0.10547 -0.38323 59 4XX -0.00155 0.03501 -0.00759 0.03994 -0.00874 60 4YY -0.01056 -0.04811 -0.00014 -0.03893 0.00901 61 4ZZ -0.02393 -0.05032 -0.01025 -0.02986 0.03514 62 4XY -0.01643 -0.04608 -0.03248 0.00058 -0.00018 63 4XZ -0.01594 -0.03510 -0.00264 0.01851 0.03338 64 4YZ -0.01272 0.01068 0.00930 0.01024 -0.02061 65 5 C 1S 0.01448 0.02616 0.00491 0.00479 -0.00446 66 2S -0.14605 0.04838 -0.05111 0.02962 -0.01221 67 2PX -0.13933 -0.11837 -0.09375 -0.14166 -0.26080 68 2PY -0.07514 0.40545 0.01614 0.17229 -0.13473 69 2PZ 0.03704 -0.37145 0.01854 -0.09448 0.29818 70 3S 0.56980 -1.20132 0.22463 -0.26580 -0.08598 71 3PX 0.33212 0.10842 -0.05897 0.14552 0.53578 72 3PY 0.18970 -1.37269 -0.01505 -0.39628 0.33613 73 3PZ 0.17286 0.18700 0.00241 -0.00337 -0.74625 74 4XX 0.00962 -0.03085 0.01210 -0.00597 0.02897 75 4YY -0.00455 0.00298 -0.01081 0.00752 -0.01099 76 4ZZ 0.00791 0.01822 0.01132 0.00950 0.00200 77 4XY -0.00719 0.00646 0.00737 0.02319 0.01951 78 4XZ -0.00750 -0.00533 -0.01808 -0.02657 -0.03633 79 4YZ -0.00141 -0.00424 -0.00225 -0.00310 -0.00369 80 6 C 1S -0.02515 0.01096 0.00767 0.03158 0.00549 81 2S -0.07407 -0.02988 0.16738 0.04474 0.02241 82 2PX 0.11897 -0.02329 0.02505 0.03464 -0.00369 83 2PY -0.02103 0.06626 0.08725 0.14971 0.10940 84 2PZ -0.10497 -0.12048 0.00349 0.02525 0.01790 85 3S 0.17994 0.44333 -0.33792 -0.07296 -0.31140 86 3PX -0.87336 1.52503 0.15263 0.54926 0.06035 87 3PY 0.07387 -0.74694 -0.00320 -0.23611 -0.23555 88 3PZ -0.41989 0.44072 0.10499 0.29960 0.09741 89 4XX -0.02744 0.00498 0.01051 0.05787 -0.01139 90 4YY -0.01142 0.02235 0.01519 0.00674 -0.00656 91 4ZZ -0.00956 -0.00484 0.01060 -0.01773 0.01496 92 4XY -0.01309 -0.03845 -0.00198 -0.01088 -0.01904 93 4XZ -0.02436 0.01523 0.02567 0.04542 0.00742 94 4YZ -0.03745 0.01400 0.01872 -0.00021 -0.01170 95 7 C 1S 0.00653 -0.01177 0.03713 0.04822 0.01982 96 2S -0.00691 0.09174 0.11906 -0.06863 -0.01493 97 2PX 0.20787 -0.01426 -0.00102 -0.09614 0.00825 98 2PY 0.14293 -0.09103 0.02530 -0.01188 0.00911 99 2PZ 0.20686 0.09296 -0.29827 -0.28778 0.02877 100 3S 0.76109 -0.38126 -0.21633 0.04523 0.07053 101 3PX 0.65829 -0.86615 0.12462 -0.02641 -0.22409 102 3PY -1.14268 0.88695 -0.29238 0.06414 -0.20519 103 3PZ 0.01541 -0.02411 0.29133 0.29065 -0.14114 104 4XX 0.03662 0.00417 0.03428 0.00049 0.00445 105 4YY 0.00930 -0.01940 0.04754 0.04840 0.04111 106 4ZZ -0.01327 0.00661 -0.00375 -0.00327 -0.02064 107 4XY -0.03362 0.00023 -0.02918 -0.06608 -0.01379 108 4XZ 0.03158 -0.01888 0.03688 0.00873 -0.00153 109 4YZ 0.00077 0.00270 0.00662 0.00691 -0.00008 110 8 C 1S 0.03789 -0.01489 0.00614 -0.01842 -0.01701 111 2S 0.02037 0.01906 0.01488 0.06536 0.23028 112 2PX -0.46199 0.00806 -0.29107 -0.22657 -0.19635 113 2PY 0.13890 -0.26656 0.22612 0.05134 -0.46577 114 2PZ 0.10287 0.15305 -0.19458 -0.15291 0.20486 115 3S -0.63470 0.75251 -0.28981 -0.19080 -0.31418 116 3PX 1.48130 -0.47867 0.42458 0.29901 0.29309 117 3PY 0.07789 0.17242 -0.01373 0.11587 0.86449 118 3PZ -0.05853 -0.57052 0.59205 0.25616 -0.26063 119 4XX 0.01296 0.01217 0.01902 0.00875 0.01175 120 4YY 0.02340 -0.01225 0.00127 -0.03011 0.00036 121 4ZZ -0.02474 0.00738 -0.02079 0.00637 -0.01581 122 4XY 0.03649 -0.00540 0.01698 0.02314 0.03038 123 4XZ 0.03837 0.00984 -0.02164 -0.02494 0.03355 124 4YZ -0.01250 -0.02252 0.00538 -0.00348 -0.01297 125 9 C 1S -0.01909 0.04758 -0.02533 0.00085 0.04936 126 2S 0.01822 -0.15282 -0.11268 -0.22121 0.16832 127 2PX 0.02455 -0.02966 -0.28828 0.42676 0.10136 128 2PY 0.30770 0.15256 0.13804 -0.19338 -0.17588 129 2PZ 0.06467 0.21012 0.16527 -0.12015 -0.02244 130 3S 0.19692 -0.66912 0.21310 0.28879 0.01126 131 3PX -0.22276 0.33003 0.16141 -0.41428 -0.11761 132 3PY -0.13852 0.16082 -0.15813 0.29435 0.35376 133 3PZ -0.38311 0.41825 -0.51037 0.18528 0.14631 134 4XX 0.00819 -0.01144 0.03067 -0.01009 -0.03685 135 4YY -0.00719 0.03489 -0.04114 -0.00601 0.08780 136 4ZZ 0.00675 -0.00640 -0.03612 -0.02587 0.04616 137 4XY -0.02633 0.02644 -0.02412 -0.02997 0.02316 138 4XZ 0.01070 0.02673 0.01458 -0.02100 0.02938 139 4YZ -0.00877 0.00874 -0.00393 0.01989 -0.03469 140 10 H 1S -0.02061 -0.29790 -0.00949 -0.14136 0.10549 141 2S -0.03762 0.29220 0.00919 0.07247 0.17726 142 11 H 1S 0.06415 0.00557 0.00468 -0.00206 -0.03326 143 2S 0.13330 -0.23764 -0.05316 -0.09882 -0.06047 144 12 H 1S 0.18186 -0.04741 -0.05883 -0.12711 -0.02640 145 2S -0.07429 0.23347 -0.25741 -0.15338 -0.20436 146 13 H 1S -0.00006 0.05060 -0.08390 -0.12649 0.23965 147 2S 0.13950 -0.22042 0.17664 -0.02081 -0.07943 148 14 C 1S 0.00254 -0.00203 -0.00473 -0.01804 -0.00196 149 2S -0.13662 0.10616 0.13509 0.25629 0.02317 150 2PX -0.08833 0.30857 0.15831 0.04911 0.19839 151 2PY -0.09205 0.03719 0.12949 -0.17521 0.13183 152 2PZ -0.13547 -0.24645 -0.09020 0.44111 -0.19608 153 3S -0.47082 0.78693 0.04979 0.19046 0.12292 154 3PX -0.33334 0.19204 -0.01366 0.32393 -0.08027 155 3PY 0.26918 0.14885 -0.15233 0.14391 -0.16583 156 3PZ -0.02224 0.73584 0.17075 -0.26782 0.26343 157 4XX -0.00598 0.00915 0.01471 -0.00515 0.00952 158 4YY -0.01988 0.01607 0.00568 0.01720 -0.01385 159 4ZZ -0.00072 -0.00029 -0.00013 0.01063 0.00760 160 4XY 0.03161 0.02390 -0.01670 0.00472 0.00492 161 4XZ -0.00100 0.01558 -0.00262 -0.00486 -0.00683 162 4YZ 0.00923 0.01768 0.00326 0.00395 0.01689 163 15 H 1S -0.15147 -0.01730 0.07346 0.03396 -0.00021 164 2S -0.13864 0.02848 -0.00139 0.13248 0.08544 165 16 H 1S 0.06979 0.13200 -0.01600 0.02689 0.02165 166 2S -0.04420 0.22395 0.06051 0.05802 -0.02615 167 17 C 1S -0.00256 -0.00040 -0.01323 -0.02391 -0.00822 168 2S 0.11771 -0.03154 0.11935 0.18941 0.03744 169 2PX 0.12137 -0.23328 0.22075 -0.03306 0.17634 170 2PY -0.15857 -0.09416 -0.01864 -0.34400 -0.01407 171 2PZ 0.28975 0.29008 -0.30453 0.05402 -0.25059 172 3S 0.53859 -0.56703 0.14136 -0.16976 0.12993 173 3PX -0.21737 0.11576 -0.04015 0.09536 -0.15598 174 3PY -0.25481 0.54756 -0.16279 0.41533 0.13537 175 3PZ -0.63205 -0.18722 0.26823 -0.03094 0.33183 176 4XX -0.00656 -0.00133 0.00411 -0.00694 0.01420 177 4YY 0.02705 0.00656 -0.01584 -0.01894 -0.01061 178 4ZZ 0.00352 -0.01467 0.00862 0.01936 -0.01486 179 4XY 0.02438 0.00041 0.00919 0.01873 0.00452 180 4XZ 0.00252 -0.00125 -0.00587 -0.01095 -0.01303 181 4YZ 0.03263 -0.01661 0.01187 -0.00151 -0.00890 182 18 H 1S 0.21084 -0.04495 0.00012 -0.04811 -0.06961 183 2S 0.21694 -0.10811 -0.03324 -0.10872 -0.09979 184 19 H 1S -0.13824 -0.02523 0.00778 -0.04575 -0.02701 185 2S -0.09700 -0.09898 0.15717 0.09501 -0.04537 81 82 83 84 85 V V V V V Eigenvalues -- 0.62805 0.63562 0.63703 0.65938 0.66786 1 1 S 1S -0.00272 0.00515 -0.00217 -0.00440 -0.00060 2 2S 0.00837 -0.00482 -0.00193 -0.00777 -0.00780 3 2PX -0.01577 0.02972 0.01055 -0.00765 0.00747 4 2PY 0.06704 -0.03465 -0.00369 -0.02022 0.03631 5 2PZ -0.02742 0.03329 0.00066 0.00567 0.00232 6 3S -0.04697 0.12222 -0.06319 -0.14037 -0.02630 7 3PX 0.06792 -0.12181 -0.04524 0.04964 -0.02212 8 3PY -0.27973 0.13737 0.01990 0.08957 -0.14911 9 3PZ 0.11865 -0.13666 -0.00797 -0.02099 -0.02984 10 4S -0.03022 -0.11483 0.17464 0.26976 -0.03360 11 4PX -0.04339 0.14243 -0.04741 -0.16105 0.05159 12 4PY 0.21556 -0.02314 -0.17936 -0.12518 0.11610 13 4PZ -0.03249 0.02116 0.04020 0.00625 0.03215 14 5XX 0.02951 -0.19138 -0.09706 -0.05430 0.02409 15 5YY 0.07642 0.10981 -0.02876 -0.14162 0.04895 16 5ZZ -0.11044 0.09501 0.11959 0.16573 -0.11743 17 5XY -0.21078 0.04693 -0.17432 0.04085 -0.03652 18 5XZ 0.04410 -0.13415 0.02073 0.12135 0.06745 19 5YZ 0.07720 0.06260 0.05808 -0.08998 0.05079 20 2 O 1S -0.00555 0.00956 -0.00389 0.00373 -0.00379 21 2S 0.03750 -0.04853 -0.00169 -0.03198 0.06372 22 2PX 0.07698 -0.07825 0.12192 0.01475 -0.01693 23 2PY -0.05151 -0.00568 0.00787 0.06874 -0.02311 24 2PZ -0.00989 -0.09307 0.01354 0.07619 -0.01566 25 3S -0.03367 -0.01480 0.07235 0.00368 -0.07780 26 3PX 0.02106 0.01397 -0.04155 0.02241 0.02559 27 3PY -0.11714 0.12380 -0.01117 0.00763 -0.05704 28 3PZ 0.03278 -0.02207 0.02117 -0.03217 0.01111 29 4XX 0.02106 -0.02759 -0.00987 -0.01179 0.01877 30 4YY -0.01393 -0.00880 0.00321 0.01443 0.00896 31 4ZZ 0.02018 0.00978 -0.00373 -0.01832 0.02423 32 4XY 0.02555 -0.01426 0.01580 0.00708 0.01403 33 4XZ -0.01348 -0.00536 -0.01588 0.00478 0.00348 34 4YZ -0.00122 -0.00185 0.00245 0.01756 -0.00494 35 3 O 1S -0.01289 -0.00554 -0.01210 -0.00385 0.00041 36 2S -0.02065 -0.02784 0.21000 -0.02221 -0.13488 37 2PX 0.05418 -0.10504 -0.07724 -0.01213 0.02341 38 2PY -0.05339 0.06448 -0.08807 -0.04922 -0.00252 39 2PZ -0.07608 -0.12905 0.04047 -0.01819 -0.11641 40 3S 0.49932 0.34114 -0.06069 0.08345 0.59764 41 3PX -0.17130 -0.04519 -0.05547 -0.07219 -0.14522 42 3PY 0.01056 -0.07782 -0.05874 0.03314 -0.08308 43 3PZ 0.10412 0.13535 -0.03499 0.00647 0.12263 44 4XX 0.04320 0.00466 0.09127 -0.03075 -0.01608 45 4YY -0.02535 -0.03399 0.05240 0.00913 -0.03303 46 4ZZ -0.04045 0.01014 0.02082 -0.01185 -0.03156 47 4XY 0.01068 0.03078 0.02843 0.00257 0.00479 48 4XZ -0.01382 -0.00636 -0.01128 -0.03067 -0.00965 49 4YZ -0.00576 -0.01875 -0.01706 -0.01492 -0.01316 50 4 C 1S -0.03249 -0.00258 0.00549 -0.01001 -0.00085 51 2S 0.09418 -0.18088 0.41939 0.01693 -0.15484 52 2PX 0.01688 -0.14112 -0.31753 0.23359 -0.55526 53 2PY 0.16978 -0.04392 0.02468 -0.00972 0.05988 54 2PZ 0.00074 0.28902 -0.42187 0.06337 0.32586 55 3S -0.23584 0.35665 -1.02851 -0.28675 0.56899 56 3PX 0.17419 0.31868 0.64905 -0.19046 1.18919 57 3PY -0.28507 0.20125 -0.04854 0.05238 0.11879 58 3PZ 0.21070 -0.49962 0.53473 0.18569 -0.73222 59 4XX 0.02702 -0.00691 0.00490 0.00823 0.00172 60 4YY -0.02940 0.00606 0.07781 0.01759 0.00174 61 4ZZ -0.02386 -0.02570 0.00614 -0.03779 -0.01681 62 4XY -0.02490 -0.03773 0.03835 -0.00591 -0.01732 63 4XZ -0.02054 -0.00502 0.01698 -0.03731 0.01577 64 4YZ 0.00014 -0.02884 0.01857 -0.03759 -0.01642 65 5 C 1S 0.00921 0.00993 0.04633 0.01032 -0.00530 66 2S 0.01497 0.01586 -0.10528 -0.01774 0.06099 67 2PX 0.16915 0.17954 0.19408 0.00858 0.20269 68 2PY 0.14329 -0.10258 -0.13115 0.03529 0.00282 69 2PZ -0.25578 0.02979 -0.22989 -0.09465 0.03954 70 3S -0.14197 -0.49242 0.86781 -0.19353 -0.54495 71 3PX -0.44760 -0.61789 -0.71792 0.04040 -1.00774 72 3PY -0.35448 0.11165 0.43058 -0.39392 -0.07116 73 3PZ 0.64214 -0.22940 0.85912 0.19640 -0.16740 74 4XX -0.02817 -0.00321 -0.00039 0.02506 -0.01589 75 4YY 0.01553 -0.00030 0.02168 -0.01505 -0.01270 76 4ZZ 0.00212 -0.00597 0.04727 -0.00956 -0.00499 77 4XY 0.00293 0.01865 -0.02670 0.00568 0.00799 78 4XZ 0.00605 -0.00423 0.00741 0.02389 -0.00610 79 4YZ -0.01321 0.04962 -0.00107 0.02973 0.01294 80 6 C 1S -0.00643 -0.00795 -0.02629 -0.02260 -0.02981 81 2S -0.03075 -0.20347 0.39449 0.22664 -0.05509 82 2PX -0.04179 0.16263 -0.02125 -0.20020 -0.21625 83 2PY -0.02008 0.04060 -0.44626 0.05308 0.09978 84 2PZ 0.03431 -0.28237 -0.00452 -0.31387 0.00528 85 3S -0.06639 0.23656 -0.78191 -0.41227 0.16933 86 3PX 0.04059 -0.09638 0.13480 0.55295 0.39252 87 3PY -0.15100 -0.02898 1.05835 -0.26781 0.34413 88 3PZ -0.10695 0.38672 0.13932 0.41257 0.15145 89 4XX 0.03040 0.00577 0.00472 -0.03214 -0.03181 90 4YY -0.03222 -0.02769 0.00195 0.04481 -0.00949 91 4ZZ -0.01923 -0.01802 0.02405 -0.01229 -0.00852 92 4XY 0.00022 0.02521 0.03044 0.00898 0.00520 93 4XZ -0.02518 0.00449 0.00354 -0.03878 -0.03232 94 4YZ 0.00271 -0.03830 0.00516 0.00949 -0.01728 95 7 C 1S 0.00167 -0.00318 0.00328 -0.01793 0.00631 96 2S -0.00957 -0.22010 -0.20571 0.14242 0.09013 97 2PX -0.06983 0.22832 0.01716 -0.06610 0.12363 98 2PY -0.08704 0.10428 -0.04261 0.16738 0.19487 99 2PZ 0.31936 -0.14185 -0.02393 -0.02894 0.06887 100 3S 0.04070 0.26339 0.34417 -0.31050 -0.50649 101 3PX 0.27318 -0.34302 0.19329 -0.24264 0.19983 102 3PY -0.21816 0.00081 0.36791 -0.00897 -0.31349 103 3PZ -0.59852 0.15486 0.42834 -0.10823 0.22756 104 4XX -0.01086 -0.05543 -0.02327 0.00391 0.01000 105 4YY 0.02640 0.01374 -0.00207 -0.03072 -0.00799 106 4ZZ -0.02194 0.00523 -0.00530 0.02647 0.00342 107 4XY 0.00056 -0.01908 -0.01873 0.01826 -0.00060 108 4XZ 0.00374 -0.02142 -0.01858 0.02183 0.00635 109 4YZ -0.01295 -0.03086 -0.01673 -0.03431 -0.01001 110 8 C 1S 0.00817 0.00265 -0.00124 0.00206 0.00523 111 2S 0.02180 -0.02259 -0.01947 0.03160 0.02460 112 2PX 0.01640 0.01658 -0.01106 -0.08083 0.00576 113 2PY -0.03496 -0.25675 -0.07840 -0.11748 0.06494 114 2PZ -0.03056 0.16455 -0.04395 0.04745 0.01172 115 3S 0.05787 -0.28737 -0.13785 -0.05729 -0.05810 116 3PX -0.00779 0.00438 0.18315 0.08871 0.41265 117 3PY 0.05779 0.73934 -0.09666 0.34914 -0.26205 118 3PZ 0.13673 -0.21905 0.20995 0.02664 -0.11596 119 4XX -0.00138 0.03301 0.01348 0.01871 -0.00576 120 4YY 0.00905 -0.03251 -0.01308 0.01519 0.00939 121 4ZZ 0.00540 -0.00824 -0.00952 -0.03431 0.00057 122 4XY 0.02931 0.02625 0.01124 -0.00476 0.00353 123 4XZ 0.01728 -0.00912 -0.02241 0.00282 0.03266 124 4YZ -0.04509 0.03702 0.00631 0.03757 0.00037 125 9 C 1S 0.01211 0.01874 -0.00481 0.02921 0.00102 126 2S 0.09806 -0.25516 0.06963 -0.09462 -0.00613 127 2PX -0.00948 -0.09153 0.11557 0.04287 0.56451 128 2PY 0.31830 -0.13201 -0.18723 0.04758 -0.06213 129 2PZ 0.06570 0.27139 -0.11890 0.20369 -0.20111 130 3S -0.21548 0.61693 -0.18779 0.07429 -0.25104 131 3PX 0.02470 0.04345 -0.33715 -0.08111 -1.03275 132 3PY -0.26696 0.42431 0.05027 0.09656 0.09201 133 3PZ -0.06751 -0.62734 0.15943 -0.51288 0.55311 134 4XX -0.00121 -0.01235 -0.00106 -0.02654 0.01573 135 4YY 0.03323 0.01088 -0.03041 -0.00582 -0.00788 136 4ZZ 0.01007 -0.00530 0.02706 0.06220 -0.00568 137 4XY 0.01520 -0.01605 -0.02787 0.00118 0.01262 138 4XZ 0.03045 0.04030 -0.00139 0.02993 0.00101 139 4YZ 0.02371 -0.02493 -0.04006 -0.01428 -0.00560 140 10 H 1S -0.23114 0.13071 0.22256 0.10954 -0.00154 141 2S -0.02802 0.08637 0.03728 -0.06604 0.12110 142 11 H 1S 0.00816 0.12543 0.28848 0.12851 -0.04613 143 2S 0.07299 -0.19044 0.25454 -0.15281 -0.17356 144 12 H 1S 0.02810 0.05845 -0.01811 0.07784 0.08092 145 2S 0.00479 -0.20636 -0.04367 -0.20736 -0.00241 146 13 H 1S -0.01035 0.22714 0.04963 0.30830 0.00766 147 2S 0.03244 0.16152 -0.14739 0.04727 -0.05426 148 14 C 1S -0.00101 -0.00655 0.01840 0.05414 0.01904 149 2S -0.00975 -0.21993 0.12146 0.32442 -0.09172 150 2PX -0.14434 -0.13640 0.04734 -0.35602 -0.14691 151 2PY -0.22400 -0.23488 -0.03586 -0.04238 0.10879 152 2PZ 0.26821 0.29889 -0.16699 0.03614 -0.08703 153 3S 0.06144 0.47947 -0.06282 -0.53166 0.21322 154 3PX 0.08014 -0.04976 0.02857 0.88935 0.04012 155 3PY 0.39649 0.37874 -0.05026 0.02665 -0.29590 156 3PZ -0.30265 -0.50462 0.30978 0.21299 -0.00952 157 4XX -0.01579 -0.01066 0.02114 0.06983 0.02783 158 4YY 0.00198 -0.02957 0.02835 0.05996 -0.00618 159 4ZZ 0.01352 -0.00980 0.00140 0.00339 -0.00410 160 4XY 0.00903 0.01483 -0.01887 -0.04248 -0.00943 161 4XZ 0.01563 -0.01825 0.03359 0.07565 0.02602 162 4YZ -0.01033 -0.02049 0.01033 0.05167 -0.00579 163 15 H 1S -0.06417 -0.15233 0.05681 0.38426 0.03393 164 2S -0.10415 -0.19692 -0.03656 0.21676 0.04760 165 16 H 1S 0.01421 -0.11670 0.16394 0.36154 -0.02888 166 2S 0.01205 -0.09011 0.06755 0.24989 -0.17624 167 17 C 1S -0.00656 -0.01177 -0.01125 0.03138 0.01930 168 2S 0.01870 -0.24267 -0.19795 0.12168 0.25474 169 2PX 0.43374 0.04182 0.03064 -0.16093 0.03049 170 2PY 0.17575 -0.06675 -0.03794 0.23967 -0.01900 171 2PZ -0.45482 0.04388 0.06688 -0.08424 0.11279 172 3S 0.35978 0.36589 0.14093 -0.53017 -0.30890 173 3PX -0.57268 -0.21391 -0.34126 0.41537 0.02118 174 3PY -0.33981 0.42449 0.36529 -0.33754 -0.39336 175 3PZ 0.53577 -0.02453 -0.13027 0.23301 -0.36957 176 4XX -0.00669 -0.01764 -0.03795 0.03153 0.02602 177 4YY 0.00162 -0.03921 -0.02408 0.03398 0.03508 178 4ZZ 0.00483 -0.00679 0.00517 -0.00112 0.01120 179 4XY 0.00021 0.00846 0.02240 -0.03377 -0.01325 180 4XZ -0.00761 -0.04078 -0.02720 0.02630 0.03461 181 4YZ 0.00287 -0.00939 -0.01101 0.02957 0.03373 182 18 H 1S 0.01428 -0.14629 -0.09628 0.14726 0.25949 183 2S 0.01452 -0.13093 -0.06107 -0.02796 0.26367 184 19 H 1S -0.07700 -0.18480 -0.19712 0.21329 0.16275 185 2S -0.09335 -0.19520 -0.21554 0.28580 0.04393 86 87 88 89 90 V V V V V Eigenvalues -- 0.68265 0.68560 0.74035 0.76531 0.78295 1 1 S 1S -0.00458 0.00102 -0.00360 0.00051 -0.00565 2 2S -0.00223 -0.01520 -0.01187 0.02357 -0.02083 3 2PX -0.00247 0.02733 -0.01172 -0.03670 -0.00261 4 2PY 0.00506 -0.03254 -0.06537 0.02088 -0.00251 5 2PZ -0.00020 0.00337 0.06520 -0.03498 0.00323 6 3S -0.12689 -0.00272 -0.13862 0.08573 -0.24118 7 3PX 0.01725 -0.09829 0.08785 0.16119 0.00270 8 3PY -0.01940 0.15980 0.29203 -0.11237 0.03403 9 3PZ 0.00591 -0.04262 -0.30667 0.14641 -0.02310 10 4S 0.21381 0.02144 0.15255 -0.81617 1.32731 11 4PX -0.07168 0.15038 -0.19760 0.14516 -0.62139 12 4PY -0.05146 -0.24284 -0.27985 -0.08828 0.12325 13 4PZ 0.11227 0.08815 0.04024 -0.45789 0.25493 14 5XX -0.10477 -0.04870 -0.07169 0.34866 -0.03441 15 5YY -0.13202 -0.25597 0.15380 -0.32595 0.17496 16 5ZZ 0.21115 0.25173 -0.10607 -0.00807 -0.09322 17 5XY -0.05925 0.10590 0.25933 -0.11605 0.01993 18 5XZ 0.08981 0.29486 -0.26051 0.14570 0.15517 19 5YZ -0.00940 -0.15484 -0.04517 -0.24000 0.03999 20 2 O 1S -0.00342 -0.00242 0.01537 -0.01010 0.01672 21 2S 0.02688 0.05469 -0.21762 0.01467 -0.10812 22 2PX 0.03315 0.02825 -0.05433 0.12344 -0.01728 23 2PY 0.05818 0.10677 -0.03373 0.03809 -0.13417 24 2PZ 0.07439 0.13635 -0.11949 0.05411 0.02268 25 3S -0.00185 -0.00106 0.21107 0.16896 -0.19016 26 3PX 0.00956 -0.03685 0.00326 -0.06286 0.11438 27 3PY -0.07293 -0.00131 0.22914 -0.13121 0.25932 28 3PZ -0.00518 -0.04742 -0.02670 0.14024 -0.16602 29 4XX -0.00235 0.00399 -0.05017 0.02411 -0.02482 30 4YY 0.03004 0.06297 -0.07197 0.01934 -0.05087 31 4ZZ -0.00337 -0.02145 -0.04397 -0.03781 -0.00546 32 4XY 0.01495 0.01603 -0.05574 0.01076 0.01671 33 4XZ -0.00087 0.01325 0.00619 -0.03582 0.01766 34 4YZ 0.01786 0.01655 -0.00902 0.01375 0.00486 35 3 O 1S -0.00725 0.00415 0.00318 -0.01234 0.02449 36 2S 0.05180 -0.07256 -0.04883 0.18247 -0.00453 37 2PX -0.03859 0.03903 -0.13468 0.11955 -0.10255 38 2PY -0.07369 -0.03860 0.11160 0.01553 0.11108 39 2PZ 0.06536 0.03794 -0.21804 0.03151 0.06016 40 3S 0.02346 0.10111 -0.16936 -0.33388 -0.61504 41 3PX -0.04720 -0.08002 0.08376 0.02038 0.13974 42 3PY 0.08068 0.06048 -0.15219 0.11459 -0.26471 43 3PZ -0.04007 -0.12303 0.00419 0.03755 -0.41344 44 4XX 0.00681 -0.05075 -0.02890 -0.00831 0.01983 45 4YY 0.03180 0.03135 -0.05195 0.07958 0.02116 46 4ZZ -0.01579 -0.03715 0.02977 0.04329 -0.02118 47 4XY 0.00516 0.00507 -0.01285 -0.01478 0.03588 48 4XZ -0.01171 -0.02780 0.01081 -0.04269 0.02303 49 4YZ -0.01533 -0.01795 0.00522 0.00738 -0.00244 50 4 C 1S -0.01781 -0.01705 0.00551 0.02202 0.02673 51 2S 0.15605 0.14432 0.01803 -0.05415 0.06343 52 2PX -0.00569 0.02734 -0.01519 -0.24566 -0.04348 53 2PY 0.02252 0.11169 0.05561 0.21217 0.21986 54 2PZ -0.04459 0.20377 -0.11549 -0.14442 -0.15873 55 3S -0.16013 -0.50612 -1.22294 0.13065 -0.85412 56 3PX 0.12331 0.15633 0.01099 0.37159 -0.04995 57 3PY 0.35751 -0.11714 -0.91270 -0.91509 -1.14343 58 3PZ 0.15021 0.10700 0.59663 0.21078 0.87256 59 4XX 0.01027 0.00973 0.00723 -0.01661 -0.01394 60 4YY 0.02876 0.00524 -0.03170 0.01533 0.04369 61 4ZZ -0.02508 -0.02916 -0.00485 0.01139 -0.02869 62 4XY -0.00032 0.01318 0.06578 -0.02045 0.03162 63 4XZ -0.01088 -0.04332 -0.05987 0.01855 0.00779 64 4YZ -0.01040 -0.04414 -0.00311 0.02863 0.01533 65 5 C 1S 0.02926 -0.01762 -0.01128 -0.00289 -0.04054 66 2S -0.09664 0.01727 -0.18981 -0.02730 0.18654 67 2PX -0.01725 -0.04057 -0.11932 -0.01860 -0.19554 68 2PY 0.04126 0.05400 -0.06554 0.01206 -0.28417 69 2PZ -0.08918 -0.11241 -0.23853 -0.00220 -0.45892 70 3S 0.11300 -0.14545 1.45740 0.76827 0.73741 71 3PX -0.07465 0.24801 0.30978 0.14299 1.02507 72 3PY -0.38334 -0.36163 0.55739 0.45756 1.25790 73 3PZ 0.10930 0.53904 1.15917 -0.09107 1.87581 74 4XX -0.00330 0.03280 0.01583 -0.00497 0.03893 75 4YY 0.01700 -0.04509 -0.00309 0.01649 -0.01758 76 4ZZ 0.01090 -0.01212 -0.01584 0.00489 0.01431 77 4XY 0.00069 -0.00347 -0.00858 -0.00791 -0.03315 78 4XZ -0.00528 0.01809 0.04052 0.02469 -0.03138 79 4YZ 0.03658 0.00050 -0.00112 -0.01602 -0.06252 80 6 C 1S 0.02731 0.00388 0.00491 -0.00421 0.00315 81 2S -0.27231 -0.10765 0.17877 0.00422 0.18472 82 2PX 0.34170 -0.03478 0.18011 0.33007 0.29248 83 2PY -0.23775 0.07454 -0.03637 0.26349 0.27322 84 2PZ 0.17757 0.16841 0.20475 -0.42836 -0.10668 85 3S 0.61035 0.68636 -0.20158 -0.00246 -1.23011 86 3PX 0.12198 0.34834 -1.20436 -0.88615 -1.61432 87 3PY 0.41245 -0.34327 0.37546 -0.03532 -0.87778 88 3PZ 0.07259 -0.30979 -0.59014 1.07689 -0.70002 89 4XX 0.03541 -0.01200 0.01210 0.00311 0.00955 90 4YY -0.01838 0.02206 0.02412 -0.00958 0.01697 91 4ZZ -0.00807 -0.00206 0.01388 -0.00689 -0.02537 92 4XY -0.00005 0.01262 0.01227 -0.00247 0.02015 93 4XZ 0.04335 0.01658 0.01766 -0.03219 -0.01557 94 4YZ -0.00936 0.02503 0.02408 0.04070 0.00800 95 7 C 1S -0.02668 0.02235 0.01691 -0.00330 0.00977 96 2S 0.29831 0.01175 0.03938 -0.26528 0.14227 97 2PX -0.25183 0.15837 -0.21260 -0.27082 0.19156 98 2PY 0.31307 -0.41098 -0.24253 -0.01849 0.08208 99 2PZ -0.04420 -0.05328 0.21096 -0.01354 0.10280 100 3S -0.67321 0.02378 0.91494 0.73387 0.47161 101 3PX 0.12498 -0.81841 0.73370 1.35356 -0.77267 102 3PY 0.17940 1.26113 0.39874 -0.05915 -0.69357 103 3PZ 0.27999 0.09107 -0.06057 0.34669 -1.02857 104 4XX 0.00241 0.00931 0.01209 0.02539 0.01093 105 4YY -0.03380 0.03501 0.04407 -0.04156 0.01907 106 4ZZ 0.03271 0.00868 0.01786 -0.03043 0.02310 107 4XY 0.02961 -0.01337 -0.00631 0.02108 -0.01605 108 4XZ 0.01224 0.01340 0.05273 0.01135 -0.01631 109 4YZ -0.01836 0.02611 0.00594 -0.00028 0.05700 110 8 C 1S -0.01480 0.00192 0.00408 -0.01108 0.00988 111 2S 0.04623 -0.03176 0.06384 0.18003 -0.10404 112 2PX -0.00102 -0.00512 -0.35914 -0.27885 0.23571 113 2PY -0.07397 0.15047 0.05780 -0.00020 -0.12678 114 2PZ -0.01774 -0.02176 0.24051 0.20899 -0.33562 115 3S 0.17261 1.01790 -1.22924 -1.33883 0.42964 116 3PX -0.23590 -0.25102 1.05249 1.17706 -0.79988 117 3PY -0.12749 -0.60485 0.05071 -0.08773 0.42958 118 3PZ -0.01663 -0.30636 -0.05847 -0.40690 0.89064 119 4XX 0.00766 0.01013 0.00486 -0.03333 -0.02025 120 4YY 0.02354 0.05993 -0.01123 -0.00245 0.00778 121 4ZZ -0.03313 -0.05236 -0.01468 0.01576 0.01146 122 4XY -0.01508 -0.03514 -0.04100 -0.01384 0.00490 123 4XZ -0.04041 0.02658 -0.00176 -0.00399 0.04970 124 4YZ 0.00113 0.01849 0.03749 -0.00655 0.03799 125 9 C 1S 0.02488 0.02369 -0.01084 -0.01035 0.01483 126 2S 0.04545 0.21078 -0.14051 -0.00913 0.05060 127 2PX 0.07193 0.33179 0.25091 -0.03204 -0.09877 128 2PY 0.05795 0.31130 -0.25539 -0.24017 -0.04323 129 2PZ 0.03545 0.00569 0.15577 -0.06543 -0.19683 130 3S -0.55489 -0.85224 0.81218 0.63500 0.15714 131 3PX -0.02043 -0.61659 -0.92190 -0.24914 0.26780 132 3PY -0.19049 -0.41877 0.64934 0.64479 0.01678 133 3PZ 0.15445 0.08081 -0.88763 -0.04854 0.17660 134 4XX -0.01948 -0.02374 -0.02649 0.01588 -0.01795 135 4YY 0.00015 -0.01521 -0.02751 0.01536 -0.04862 136 4ZZ 0.04553 0.09711 0.03842 -0.03225 0.08317 137 4XY -0.00254 0.04880 0.04671 0.00480 -0.00772 138 4XZ 0.01458 0.00871 -0.05640 0.00855 0.01432 139 4YZ -0.01369 0.01827 -0.00062 -0.02270 -0.01759 140 10 H 1S 0.05814 0.03000 0.08634 0.04327 0.22919 141 2S 0.17145 -0.09195 -0.41634 -0.52090 -0.82963 142 11 H 1S 0.17424 -0.10438 0.01941 0.02302 -0.38074 143 2S -0.27771 0.15193 0.41002 0.03636 1.65467 144 12 H 1S -0.06534 0.08446 -0.10110 -0.10378 0.21223 145 2S 0.17810 0.21551 -0.00441 0.23015 -0.66419 146 13 H 1S 0.19800 0.29774 -0.01191 -0.13810 0.14024 147 2S -0.18809 -0.04901 0.52553 0.11269 -0.42656 148 14 C 1S -0.06321 -0.01042 -0.01122 -0.01085 -0.00975 149 2S -0.17727 -0.17219 0.02237 -0.06920 0.04675 150 2PX 0.31017 -0.03556 -0.05665 -0.08756 -0.08942 151 2PY -0.03228 0.03329 0.07093 -0.00621 -0.11408 152 2PZ 0.19975 -0.00419 -0.00347 0.10791 -0.01252 153 3S 0.78544 0.32391 -0.86492 0.04879 -0.89373 154 3PX -0.29568 -0.07897 -0.13590 0.33819 -0.08774 155 3PY -0.04407 -0.02910 -0.22849 -0.04059 0.40292 156 3PZ -0.18210 0.01644 -0.22454 -0.50483 -0.24664 157 4XX -0.07023 -0.02217 -0.02867 -0.00707 -0.02127 158 4YY -0.03390 -0.01141 0.01670 -0.01379 0.00251 159 4ZZ -0.00587 -0.01368 -0.00761 0.00600 0.01860 160 4XY 0.03191 0.00720 -0.00053 -0.01161 0.02005 161 4XZ -0.08755 -0.01643 -0.02294 -0.00889 -0.00253 162 4YZ -0.06017 -0.02237 -0.01755 -0.01836 -0.01193 163 15 H 1S -0.31354 -0.04458 -0.00187 -0.02659 -0.06470 164 2S -0.04375 -0.07570 0.15795 0.15228 -0.00016 165 16 H 1S -0.30383 -0.15739 -0.08213 -0.10269 -0.07382 166 2S -0.03849 -0.00087 -0.01807 -0.07171 0.12513 167 17 C 1S 0.06090 -0.04494 0.00196 -0.00795 0.01225 168 2S 0.14250 -0.20459 0.04874 -0.09267 0.08343 169 2PX -0.15683 -0.02563 0.07886 0.02709 -0.11561 170 2PY 0.33668 -0.12258 0.12156 0.04636 -0.09862 171 2PZ 0.06008 -0.05476 -0.15682 0.06606 -0.07230 172 3S -0.73626 -0.28038 -0.36755 0.35649 0.07309 173 3PX 0.13496 0.04666 -0.29624 -0.28442 0.48146 174 3PY -0.29408 0.55979 -0.22237 -0.28721 0.18026 175 3PZ -0.06425 0.30267 0.26778 -0.22974 0.32871 176 4XX 0.02467 -0.03334 0.00878 0.01604 0.00716 177 4YY 0.07891 -0.07753 -0.02283 -0.00061 0.01030 178 4ZZ -0.00437 0.00744 0.00267 -0.03009 -0.00707 179 4XY -0.05130 0.04000 0.01652 0.01171 -0.00757 180 4XZ 0.05428 -0.03464 0.00732 -0.02490 0.02972 181 4YZ 0.06455 -0.05755 0.01144 -0.00706 -0.00072 182 18 H 1S 0.27776 -0.29204 0.04838 -0.12121 0.12959 183 2S 0.01201 -0.17672 0.09080 0.27804 -0.31646 184 19 H 1S 0.29384 -0.20878 0.05064 0.01039 0.06081 185 2S 0.06242 0.09080 0.00923 -0.18466 0.18496 91 92 93 94 95 V V V V V Eigenvalues -- 0.79520 0.81340 0.81505 0.82843 0.83662 1 1 S 1S -0.00456 0.00538 -0.00218 0.00938 -0.00607 2 2S 0.00384 0.03690 -0.02644 0.01262 0.00332 3 2PX -0.01721 0.02620 -0.00740 0.01220 -0.00565 4 2PY 0.03650 0.04183 -0.02692 -0.03394 0.04652 5 2PZ -0.00303 -0.03383 0.01734 0.01162 -0.01978 6 3S -0.09167 0.26643 -0.13504 0.27881 -0.13330 7 3PX 0.09554 -0.17589 0.07550 -0.07633 0.03652 8 3PY -0.21166 -0.25693 0.15546 0.17939 -0.27506 9 3PZ 0.02194 0.20743 -0.11194 -0.07343 0.10298 10 4S -0.51800 -0.93396 0.44803 -0.28697 -0.43434 11 4PX 0.05237 0.55030 -0.25944 0.14339 0.16125 12 4PY -0.22493 -0.09825 -0.11163 -0.10932 0.06673 13 4PZ -0.23196 -0.09617 -0.03685 -0.28187 -0.01545 14 5XX 0.20471 0.04704 0.00266 0.08457 -0.03095 15 5YY -0.17064 -0.20904 0.08004 0.12202 -0.10223 16 5ZZ -0.11566 0.18425 -0.12399 -0.11787 0.04433 17 5XY 0.17032 0.11858 0.04949 0.02118 0.09574 18 5XZ -0.06858 -0.03025 0.08514 0.12336 -0.14688 19 5YZ 0.01486 0.09011 -0.09613 -0.22703 0.29605 20 2 O 1S -0.01807 -0.02451 0.01177 0.01477 -0.02456 21 2S 0.23874 0.14273 -0.06821 -0.22261 0.19431 22 2PX -0.10379 0.05787 -0.04677 0.04556 0.05456 23 2PY 0.16236 0.12267 -0.04793 -0.10435 0.13476 24 2PZ -0.06936 -0.07948 0.02912 0.10312 -0.13289 25 3S -0.07456 0.21859 -0.08153 0.19689 0.03582 26 3PX 0.05722 -0.13442 0.06859 -0.05523 -0.10247 27 3PY -0.38642 -0.42595 0.22584 0.37532 -0.52373 28 3PZ 0.22987 0.29005 -0.12087 -0.20937 0.33085 29 4XX 0.06025 0.04307 -0.02583 -0.05883 0.06824 30 4YY 0.07611 0.04822 -0.01915 -0.07004 0.03848 31 4ZZ 0.07891 0.02226 -0.01023 -0.07674 0.06331 32 4XY -0.02293 -0.01600 0.00198 0.00697 -0.02900 33 4XZ 0.00839 -0.00736 0.01098 -0.01036 -0.00032 34 4YZ 0.00060 0.00606 -0.00222 -0.01293 -0.00196 35 3 O 1S 0.00036 -0.00308 0.00281 -0.00223 0.00834 36 2S -0.04562 0.03163 0.01532 0.11079 -0.09548 37 2PX 0.10540 0.02733 -0.00849 0.10349 -0.08431 38 2PY -0.16689 -0.00262 -0.05532 0.02010 0.06076 39 2PZ -0.03306 0.03332 -0.02092 -0.05671 0.03322 40 3S 0.05052 0.04231 -0.19097 0.02502 0.13411 41 3PX -0.14014 -0.02620 0.02184 -0.18959 0.10339 42 3PY 0.01100 0.15303 -0.09358 -0.04193 -0.01589 43 3PZ -0.12043 -0.00738 -0.01452 0.13696 -0.10924 44 4XX -0.00761 0.00162 -0.01573 0.03256 -0.01794 45 4YY -0.00753 0.04070 -0.00577 0.02610 -0.01541 46 4ZZ -0.01788 -0.01733 0.02830 0.05159 -0.02554 47 4XY -0.02120 0.02121 -0.00902 0.02299 0.03258 48 4XZ -0.00612 0.00434 -0.00243 0.00274 0.00008 49 4YZ 0.01842 0.01546 -0.00107 -0.00982 0.01001 50 4 C 1S -0.00827 0.00041 -0.01083 -0.04099 -0.00616 51 2S 0.17237 -0.00596 0.09159 0.22761 -0.11371 52 2PX 0.05114 -0.09225 0.03426 -0.06821 -0.07025 53 2PY 0.25506 -0.08620 0.13712 -0.59328 -0.33935 54 2PZ 0.03421 -0.10961 0.09989 0.24972 0.09715 55 3S -1.04635 -0.60936 0.13459 0.25400 0.93307 56 3PX -0.07443 0.16264 -0.11040 0.32272 0.28420 57 3PY -1.38944 -0.12378 -0.46613 1.97960 1.61708 58 3PZ 0.58797 0.62635 -0.48052 -0.95637 -0.50073 59 4XX 0.01135 0.00169 0.00607 0.04451 -0.00698 60 4YY -0.03934 -0.01886 -0.03744 -0.08690 0.05541 61 4ZZ 0.01222 0.01051 0.01968 0.08126 -0.03246 62 4XY -0.00416 -0.03679 0.02065 -0.02169 0.01266 63 4XZ -0.00837 0.01586 -0.01152 0.01112 -0.00042 64 4YZ 0.01379 0.01545 0.01455 0.04388 0.02868 65 5 C 1S -0.02914 -0.00332 0.00419 -0.00366 -0.01245 66 2S 0.07538 0.00655 -0.21389 0.33873 0.00203 67 2PX -0.12809 -0.09876 0.13569 0.03482 -0.05236 68 2PY -0.32165 0.05643 -0.09847 -0.11565 -0.02641 69 2PZ -0.34509 -0.01062 0.03372 -0.02995 -0.10386 70 3S 0.71314 0.20471 1.34690 -1.00172 -0.19561 71 3PX 0.31462 0.47991 -0.74743 -0.62850 -0.08209 72 3PY 0.99547 -0.41813 1.01188 0.49622 0.15398 73 3PZ 1.81144 0.21723 -0.11793 -0.42370 -0.17832 74 4XX -0.01323 -0.00569 0.00148 0.00610 0.02853 75 4YY 0.02201 -0.02658 0.04932 0.03274 -0.00360 76 4ZZ -0.00297 0.03107 -0.04396 -0.02877 -0.03813 77 4XY -0.00906 -0.02331 -0.02663 -0.05686 -0.01480 78 4XZ 0.00967 -0.01851 0.01352 -0.02777 -0.03757 79 4YZ -0.05433 -0.00296 -0.01020 -0.02828 0.00363 80 6 C 1S 0.00083 -0.01331 0.00587 0.01830 0.00323 81 2S 0.01592 -0.16096 0.22702 0.20062 -0.07024 82 2PX -0.13261 -0.10792 0.19415 0.15457 0.02106 83 2PY -0.11994 0.01910 -0.31215 -0.12255 -0.02381 84 2PZ 0.30197 0.01272 -0.13611 0.04470 -0.13673 85 3S -0.83201 -0.62149 -0.86425 -0.19436 0.45298 86 3PX -0.59141 0.22624 -0.71356 -0.55262 -0.30725 87 3PY 0.25105 -0.55756 1.83640 0.78232 0.67643 88 3PZ -1.48250 -0.19123 0.75197 -0.04292 0.51348 89 4XX 0.01061 -0.04560 0.07338 0.00345 -0.01263 90 4YY -0.03488 -0.00446 -0.03381 0.02451 0.03270 91 4ZZ -0.00204 -0.00674 -0.00955 0.02898 -0.02344 92 4XY 0.01655 -0.03453 -0.02871 -0.03244 -0.01080 93 4XZ -0.03743 -0.02618 -0.00839 0.03009 0.00211 94 4YZ 0.02565 -0.05765 -0.00832 0.01392 -0.01977 95 7 C 1S -0.00464 -0.01218 0.00361 -0.01043 -0.01995 96 2S -0.19060 -0.13744 0.16423 -0.12240 -0.22699 97 2PX 0.12353 -0.03889 0.22863 -0.18054 -0.25449 98 2PY 0.31698 0.01432 0.02700 0.04695 -0.06668 99 2PZ -0.34354 0.36354 -0.06944 -0.06457 0.08350 100 3S 1.06619 0.30449 -1.08796 0.52181 0.12362 101 3PX -0.16407 -0.30331 -0.70921 1.18643 1.15315 102 3PY -1.67888 -0.83772 0.18806 -0.46361 0.22394 103 3PZ 0.69711 -1.57390 0.22877 0.50612 0.29209 104 4XX 0.01400 -0.02553 0.05785 0.00058 -0.03460 105 4YY -0.01426 0.01220 -0.01434 0.00704 -0.03817 106 4ZZ -0.01451 -0.01566 -0.02789 -0.02422 0.01456 107 4XY 0.01142 -0.02051 -0.04014 0.01849 0.01226 108 4XZ -0.00969 0.00535 -0.03728 0.01361 -0.01408 109 4YZ 0.01617 -0.06640 -0.00951 -0.01239 -0.02436 110 8 C 1S 0.01418 0.02222 -0.00297 0.01257 0.00131 111 2S -0.03572 -0.40373 0.06525 -0.05741 -0.23798 112 2PX -0.26414 -0.10113 0.00182 -0.23322 -0.11931 113 2PY -0.21501 -0.34277 0.04424 -0.23140 0.18298 114 2PZ 0.19186 -0.34175 0.14135 -0.27932 0.09121 115 3S -1.19607 0.67854 0.35013 -0.21149 0.87789 116 3PX 1.13191 0.32686 -0.23691 1.18267 0.36810 117 3PY 1.38664 1.60108 -0.20385 0.31751 -1.38194 118 3PZ -0.54232 0.87106 -0.60149 0.60988 0.13623 119 4XX -0.03679 0.01410 -0.00694 -0.05563 -0.01403 120 4YY -0.01180 -0.04419 0.01672 0.05091 0.03027 121 4ZZ 0.01962 -0.00161 -0.00342 -0.02306 -0.02092 122 4XY 0.00603 0.01402 -0.04289 0.02028 0.04678 123 4XZ 0.00648 -0.00320 0.04758 0.03213 -0.03535 124 4YZ 0.01671 0.06030 -0.03774 0.05816 0.02215 125 9 C 1S 0.01939 -0.03460 0.01162 0.00352 0.02511 126 2S -0.27627 0.07144 -0.01361 -0.08403 -0.21183 127 2PX -0.03979 0.10002 -0.03461 0.03705 -0.18480 128 2PY 0.01704 -0.21788 0.09967 0.04997 0.19436 129 2PZ 0.02809 0.32851 -0.11335 -0.07867 -0.59570 130 3S 1.93577 0.25170 0.40594 -0.33463 -0.99517 131 3PX 0.01642 -0.23838 0.00259 -0.07734 0.49345 132 3PY 0.83783 0.88388 -0.24418 -0.12343 -1.06837 133 3PZ -0.42980 -1.49311 0.53060 0.59356 2.31898 134 4XX -0.01455 0.03718 -0.01824 0.00228 -0.01826 135 4YY 0.03169 0.00375 0.01933 0.00752 -0.08443 136 4ZZ -0.00610 -0.03814 -0.00171 -0.04076 0.04590 137 4XY 0.00824 -0.01868 0.04630 0.00614 -0.04154 138 4XZ 0.03352 -0.00425 -0.01351 -0.02601 0.03181 139 4YZ 0.00980 -0.00537 0.02833 -0.03409 -0.05183 140 10 H 1S -0.14521 -0.00132 -0.16553 -0.44962 -0.03600 141 2S -0.53999 0.04402 -0.08503 1.75992 0.78949 142 11 H 1S -0.23699 -0.05686 0.05579 -0.15376 -0.15972 143 2S 1.23428 0.02378 -0.03087 0.37644 0.18941 144 12 H 1S -0.01168 0.30807 -0.09862 0.33727 -0.02561 145 2S -0.38744 -1.41599 0.42242 -0.96255 0.14141 146 13 H 1S -0.00303 -0.25306 -0.03268 0.03332 0.41887 147 2S -0.02268 1.14732 -0.32522 -0.23285 -1.81723 148 14 C 1S -0.00598 -0.00545 0.00000 -0.00704 -0.00023 149 2S 0.09419 -0.13168 0.11583 0.19837 0.04522 150 2PX -0.01919 -0.06934 -0.04856 0.10595 -0.06312 151 2PY -0.16629 0.19671 0.58116 -0.06834 0.27719 152 2PZ -0.06747 0.00682 0.35559 0.03263 0.12893 153 3S -0.82884 0.42175 -0.17349 -0.53665 -0.21919 154 3PX -0.30775 0.22187 0.14771 -0.24668 0.14221 155 3PY 0.30856 -0.35244 -1.71028 -0.05195 -0.81944 156 3PZ 0.21514 0.05373 -1.04283 -0.11070 -0.46885 157 4XX -0.00056 0.00403 -0.02764 0.00687 0.00018 158 4YY -0.00449 -0.01909 -0.01071 0.01445 0.00490 159 4ZZ 0.02093 0.00377 0.04804 -0.00472 0.00354 160 4XY -0.01027 0.04480 0.05245 0.00316 0.02684 161 4XZ -0.00551 0.00731 0.02036 -0.01696 0.01422 162 4YZ -0.00427 -0.00877 0.04189 0.01721 0.00913 163 15 H 1S 0.01529 -0.14369 -0.31776 -0.01627 -0.09920 164 2S -0.14047 0.32995 1.18591 0.06676 0.61825 165 16 H 1S -0.06335 0.01178 0.32432 0.02144 0.11104 166 2S 0.28110 -0.22477 -1.36903 -0.07074 -0.57643 167 17 C 1S 0.00343 0.00390 -0.00158 0.00580 -0.00667 168 2S -0.09999 -0.13518 0.04978 -0.22834 -0.10749 169 2PX -0.03363 -0.36043 -0.37769 0.05829 0.01635 170 2PY 0.00374 -0.12257 -0.09345 0.10649 0.10978 171 2PZ -0.00167 -0.33658 -0.29383 0.05756 0.05615 172 3S 0.76787 0.78563 -0.15684 0.69937 0.23118 173 3PX 0.30786 1.00236 0.94258 -0.30838 -0.25626 174 3PY 0.00458 0.04050 0.43715 -0.38471 -0.39812 175 3PZ -0.28395 1.05538 0.65788 -0.33208 -0.22376 176 4XX 0.00371 -0.01364 -0.04406 0.00745 -0.01281 177 4YY 0.01386 -0.00520 0.03725 -0.02121 -0.00164 178 4ZZ -0.02382 0.00646 0.00800 -0.02051 0.00507 179 4XY -0.00430 0.00108 0.06190 -0.01899 -0.00669 180 4XZ -0.00436 -0.01410 -0.01337 -0.00597 -0.02256 181 4YZ -0.00822 0.03507 0.03494 -0.00855 -0.02116 182 18 H 1S -0.04979 0.15503 0.21094 -0.09152 -0.12123 183 2S -0.02986 -0.87428 -0.91223 0.36494 0.38516 184 19 H 1S 0.00620 -0.14063 -0.29100 0.11174 -0.00140 185 2S -0.05447 0.73732 0.83328 -0.39598 -0.15515 96 97 98 99 100 V V V V V Eigenvalues -- 0.84776 0.85832 0.86932 0.89104 0.90985 1 1 S 1S -0.00820 -0.00475 -0.00795 0.00927 -0.00753 2 2S -0.00841 -0.02087 -0.03630 0.02206 -0.03129 3 2PX 0.00322 -0.01059 -0.00741 0.02435 0.00486 4 2PY 0.00467 0.00158 0.01447 -0.01190 0.01977 5 2PZ -0.00412 -0.00181 -0.01132 0.00822 0.00196 6 3S -0.25619 -0.17787 -0.30321 0.32681 -0.28610 7 3PX -0.02475 0.08945 0.07266 -0.13440 0.01749 8 3PY -0.04761 -0.02059 -0.08650 0.10210 -0.09573 9 3PZ 0.04658 0.00116 0.10440 -0.02793 -0.00922 10 4S 0.62058 0.14858 0.48410 -0.60613 0.53372 11 4PX -0.25345 -0.08928 -0.31010 0.34902 -0.31937 12 4PY -0.12823 -0.12943 -0.22998 -0.07387 -0.08148 13 4PZ 0.32526 0.06553 -0.09599 -0.41538 0.11833 14 5XX -0.05261 -0.04626 0.03036 0.01436 0.03483 15 5YY -0.14774 -0.10280 0.07800 0.36110 -0.09113 16 5ZZ 0.18413 0.06749 -0.23640 -0.34024 -0.04302 17 5XY 0.23450 0.10134 0.36357 0.18771 0.16493 18 5XZ -0.06640 -0.01462 0.42913 0.21264 -0.04622 19 5YZ 0.08548 -0.01652 0.20041 0.19924 -0.00988 20 2 O 1S -0.00811 -0.00484 -0.00634 0.00168 -0.00355 21 2S 0.06802 -0.00376 0.10441 0.09751 -0.03357 22 2PX 0.02258 0.00659 -0.07561 0.07610 -0.10856 23 2PY 0.08985 0.05853 0.17132 -0.03350 0.00948 24 2PZ -0.05262 -0.02846 -0.05818 0.04301 -0.06448 25 3S -0.00524 0.08517 -0.10348 -0.14076 0.06749 26 3PX -0.03154 -0.01197 0.11543 -0.16724 0.13830 27 3PY -0.23096 -0.11492 -0.35008 0.08859 -0.09361 28 3PZ 0.14052 0.08612 0.10109 -0.11018 0.11733 29 4XX 0.02991 -0.00035 0.03194 0.02875 -0.00282 30 4YY 0.03632 0.00891 0.00295 -0.01723 -0.01393 31 4ZZ 0.00715 -0.00903 0.08299 0.05946 -0.00271 32 4XY -0.03305 -0.01445 0.01225 -0.00447 -0.02037 33 4XZ 0.02423 0.00695 0.05134 0.02984 0.01246 34 4YZ 0.02154 0.01482 -0.00544 -0.06118 0.02132 35 3 O 1S 0.00997 0.00101 0.02050 0.01295 0.00690 36 2S -0.11499 -0.05898 -0.28808 -0.14425 0.04776 37 2PX 0.00819 0.02944 -0.11187 -0.05721 -0.06559 38 2PY -0.05068 -0.07699 -0.11492 -0.06753 -0.08597 39 2PZ 0.15571 -0.00078 -0.03362 0.00702 -0.06610 40 3S -0.01607 0.19029 0.41258 0.24339 -0.46213 41 3PX 0.09361 -0.09800 -0.17429 -0.04882 0.18696 42 3PY -0.21225 0.02959 -0.04883 -0.11460 0.04930 43 3PZ -0.17722 0.02384 -0.10462 0.01375 0.03526 44 4XX -0.03472 -0.01078 -0.08602 0.00084 -0.01048 45 4YY -0.03784 -0.02752 -0.03478 -0.03151 0.00959 46 4ZZ -0.01490 0.00338 -0.05345 -0.03175 0.03464 47 4XY 0.03803 -0.00498 0.02326 0.01399 -0.02758 48 4XZ 0.01419 -0.01656 -0.00700 0.04011 -0.01049 49 4YZ -0.00973 -0.00442 0.02794 0.05727 0.00632 50 4 C 1S -0.01159 -0.00534 0.00206 0.00505 0.00329 51 2S -0.07510 0.02059 0.20675 -0.10248 0.00119 52 2PX 0.10538 -0.06761 -0.09400 0.06845 0.08048 53 2PY 0.20381 -0.34755 -0.34015 0.29233 0.28331 54 2PZ 0.24882 0.05206 -0.21397 0.05160 0.02157 55 3S -0.07233 0.92805 0.13500 -0.16921 0.06580 56 3PX -0.50509 0.22163 0.66563 -0.11534 -0.28120 57 3PY -1.18244 1.38375 1.21753 -0.89268 -0.80629 58 3PZ -1.69340 -0.64742 1.25813 -0.74690 -0.16976 59 4XX 0.03099 0.02631 0.02667 -0.03365 -0.00826 60 4YY -0.07606 -0.01453 -0.01639 0.05240 -0.00162 61 4ZZ 0.00013 0.02603 0.03896 -0.04208 -0.00877 62 4XY -0.02793 0.01318 0.03170 -0.05906 0.05002 63 4XZ 0.02816 0.03076 0.01874 0.02105 -0.01685 64 4YZ -0.04413 0.02830 0.05028 -0.02410 -0.00049 65 5 C 1S -0.00511 0.01150 0.00530 0.00025 -0.01248 66 2S 0.11459 0.14620 -0.13615 -0.13741 -0.48542 67 2PX 0.17862 0.09751 0.13591 0.10731 0.16854 68 2PY -0.49319 -0.04887 0.24763 -0.02647 0.25034 69 2PZ 0.02379 0.04616 -0.07923 0.05304 0.27799 70 3S -0.08316 -1.62012 0.53486 0.19111 1.82432 71 3PX -0.89581 -0.23768 -0.42545 -0.50608 -0.22477 72 3PY 2.30735 -0.05970 -1.09813 0.40111 0.24980 73 3PZ -0.62250 -0.56179 0.42595 -0.26757 -0.41574 74 4XX 0.00954 -0.02346 0.00291 -0.06340 -0.02537 75 4YY 0.00322 0.02919 -0.01819 0.00216 0.01794 76 4ZZ 0.00648 -0.00648 -0.00886 0.03464 -0.04846 77 4XY -0.01609 0.04278 -0.01302 0.02252 0.02999 78 4XZ -0.04233 -0.01139 0.00359 -0.03663 0.03895 79 4YZ -0.00267 0.01051 -0.01442 0.04887 0.01583 80 6 C 1S 0.01751 0.00656 0.00345 -0.00609 0.00945 81 2S 0.19763 0.15982 0.01405 -0.10337 0.24683 82 2PX 0.23579 0.11477 0.05431 -0.01443 0.15394 83 2PY -0.14620 0.24145 -0.01927 0.01233 0.01793 84 2PZ -0.24149 0.01225 -0.09996 -0.03935 0.00788 85 3S -0.51612 -0.69070 0.49075 -0.17975 -0.95012 86 3PX -1.07780 -0.01061 0.53724 0.06383 -0.51107 87 3PY 1.15596 -1.59892 0.23916 0.34818 0.27741 88 3PZ 1.08228 -0.51823 0.30677 0.41357 0.22425 89 4XX 0.03746 0.04735 0.00082 -0.01354 0.04614 90 4YY -0.03247 -0.04557 0.03187 -0.02500 -0.01029 91 4ZZ 0.02748 0.02112 -0.00725 -0.00647 -0.00297 92 4XY 0.02468 0.02431 0.00522 0.01533 0.02023 93 4XZ 0.05460 0.02778 0.00948 -0.00248 -0.00682 94 4YZ 0.00792 -0.00884 0.02109 -0.02652 0.05135 95 7 C 1S 0.01076 0.00800 0.02122 -0.02106 0.01062 96 2S 0.18183 0.05118 0.30421 -0.35117 0.16455 97 2PX -0.16077 0.21297 0.05851 -0.31347 0.09106 98 2PY -0.15190 -0.02756 -0.10447 0.23371 -0.10984 99 2PZ 0.14425 0.26068 -0.10007 -0.00408 -0.02177 100 3S -0.61478 0.29877 -1.12312 0.57142 -0.52715 101 3PX 0.88565 -1.69698 -0.60062 1.46658 -0.24537 102 3PY 0.84091 0.11921 0.77273 -0.80735 -0.03881 103 3PZ 0.01278 -1.30718 0.44733 0.21296 -0.11711 104 4XX -0.00798 0.03510 0.03091 0.03334 0.03519 105 4YY 0.04238 -0.00278 0.03287 -0.10772 0.00218 106 4ZZ 0.00307 -0.00538 -0.00201 0.00588 0.00064 107 4XY -0.01009 0.00378 -0.00274 0.02427 0.00203 108 4XZ -0.02568 0.02283 0.00035 0.02690 -0.01671 109 4YZ 0.01557 0.01496 0.02942 -0.04830 0.05812 110 8 C 1S 0.01049 -0.00448 -0.02622 -0.03111 0.00570 111 2S 0.01277 -0.02041 0.32387 0.10685 -0.46402 112 2PX 0.11703 0.05855 0.17380 -0.23842 -0.17569 113 2PY 0.01567 0.06800 -0.07124 0.16244 -0.29462 114 2PZ -0.08522 0.25525 0.05518 -0.30371 -0.27068 115 3S -0.20788 1.30859 -0.53797 0.12853 1.28598 116 3PX -0.34533 -0.82226 -0.58981 1.52661 -0.04612 117 3PY -0.20978 -0.23702 0.52972 -1.08080 0.46226 118 3PZ 0.73273 -0.76986 -0.80553 1.01178 0.41006 119 4XX 0.00054 0.02572 -0.00549 -0.04094 -0.07027 120 4YY -0.00598 0.02617 0.02420 0.03664 -0.00807 121 4ZZ 0.03369 -0.03471 -0.03236 -0.03693 0.01269 122 4XY -0.01282 -0.05831 -0.01045 -0.00113 -0.01303 123 4XZ -0.03802 -0.00212 0.07552 0.03236 0.04329 124 4YZ -0.02167 -0.03538 -0.00075 -0.02579 0.04511 125 9 C 1S -0.00440 -0.00191 -0.00743 0.01592 0.00663 126 2S 0.10271 0.01082 0.25393 0.17043 -0.14697 127 2PX 0.23205 -0.07149 -0.09298 0.04699 -0.05367 128 2PY 0.15400 -0.00759 -0.32869 0.13219 0.08335 129 2PZ 0.26010 -0.29561 0.08982 0.08403 -0.33281 130 3S 0.79445 -0.56554 -1.23433 -0.35203 0.84022 131 3PX -0.82222 0.30871 0.48467 -0.65142 0.05902 132 3PY -0.99480 -0.22087 1.47286 -1.17524 -0.30108 133 3PZ -1.00455 1.41282 0.25813 -0.30591 0.60070 134 4XX -0.00962 -0.01850 0.00641 0.02242 -0.04167 135 4YY 0.05791 0.00131 0.03454 0.00159 -0.02983 136 4ZZ -0.01006 -0.02162 -0.02144 0.02476 0.04494 137 4XY 0.01679 0.01016 0.01170 0.02317 0.02833 138 4XZ -0.02601 -0.05026 -0.05979 0.05966 -0.01177 139 4YZ 0.08066 -0.01194 -0.03887 0.00150 0.01992 140 10 H 1S -0.06680 -0.18140 -0.11365 0.16116 -0.00850 141 2S -0.40333 0.93790 0.80544 -0.64563 -0.52205 142 11 H 1S -0.16405 0.10842 0.07747 0.10913 0.40290 143 2S 0.71113 -0.12466 -0.40188 -0.27400 -0.86701 144 12 H 1S -0.04875 -0.22456 -0.09970 -0.08924 0.41460 145 2S 0.03503 0.65826 0.32620 -0.23568 -1.00546 146 13 H 1S -0.21682 0.03205 -0.15401 -0.01652 0.09041 147 2S 0.75661 -0.74203 0.32443 0.17005 -0.66497 148 14 C 1S 0.00902 0.00102 0.00114 -0.00620 0.00869 149 2S 0.29084 0.24696 -0.16581 0.15892 -0.38684 150 2PX 0.23640 0.14149 -0.05390 0.13784 0.17448 151 2PY -0.07048 -0.55678 0.01239 -0.13971 -0.08331 152 2PZ 0.03053 -0.21779 0.10436 -0.02086 0.06409 153 3S -0.56703 -0.29394 0.58028 0.05290 0.77663 154 3PX -0.41058 -0.43595 0.19337 -0.05159 -0.15254 155 3PY 0.04187 1.71668 -0.15731 0.19761 0.07419 156 3PZ -0.42818 0.58874 -0.10527 0.07897 -0.21030 157 4XX -0.00314 0.02176 -0.01603 0.02786 -0.04907 158 4YY 0.03015 0.01820 0.00720 0.01394 0.00871 159 4ZZ 0.01382 -0.00812 -0.01991 -0.01296 -0.02216 160 4XY -0.00992 -0.04901 0.00858 -0.04079 -0.05374 161 4XZ 0.01703 -0.01587 0.00303 -0.00751 -0.00343 162 4YZ 0.03963 -0.02316 -0.00315 -0.02852 0.01692 163 15 H 1S -0.01288 0.21351 -0.01802 0.15372 0.24632 164 2S -0.06130 -1.25088 0.07231 -0.32103 -0.47348 165 16 H 1S 0.20641 -0.26143 0.04380 -0.15067 0.08447 166 2S -0.31221 1.16505 -0.18905 0.31526 -0.26959 167 17 C 1S 0.01128 0.00326 -0.00170 -0.00624 0.00999 168 2S 0.06161 -0.03396 0.15811 -0.51298 -0.39732 169 2PX 0.22391 -0.38619 0.17119 -0.31941 0.15525 170 2PY 0.02280 -0.12749 0.03105 0.19657 -0.20849 171 2PZ 0.21338 -0.36790 0.11552 -0.06033 0.00490 172 3S -0.24961 -0.36749 -0.64389 1.39383 0.92864 173 3PX -0.90826 1.18711 -0.39641 0.73015 -0.15867 174 3PY -0.02116 0.49917 0.22248 -0.71028 0.24338 175 3PZ -0.41318 1.17966 -0.25011 0.11528 -0.05812 176 4XX 0.01448 -0.03104 0.02576 -0.05731 0.01039 177 4YY -0.00318 0.01609 -0.00068 0.01034 -0.03906 178 4ZZ -0.00113 0.00541 -0.01021 -0.00899 -0.03834 179 4XY -0.00499 0.05741 -0.00692 -0.00773 0.00771 180 4XZ 0.01541 0.01034 0.01213 -0.04669 0.05632 181 4YZ 0.01349 0.05169 -0.02248 -0.00897 -0.01391 182 18 H 1S 0.00619 0.36602 -0.14109 -0.11449 0.15123 183 2S 0.39249 -1.26192 0.29845 -0.12473 -0.28726 184 19 H 1S 0.07522 -0.25576 0.07375 -0.11049 0.26048 185 2S -0.61400 1.18061 -0.32357 0.50417 -0.56678 101 102 103 104 105 V V V V V Eigenvalues -- 0.93338 0.95292 0.96259 0.97676 0.99295 1 1 S 1S 0.01273 0.00309 0.00820 0.00151 -0.00175 2 2S 0.02708 0.01215 0.01951 0.01302 -0.00497 3 2PX 0.01158 0.00463 0.00276 0.00283 0.00658 4 2PY -0.01308 -0.02051 0.01944 -0.00334 -0.00936 5 2PZ 0.00216 0.01503 -0.02545 0.01048 -0.00780 6 3S 0.42991 0.11217 0.28299 0.06113 -0.06955 7 3PX -0.07242 -0.02802 -0.03980 -0.01982 -0.02528 8 3PY 0.09545 0.12577 -0.13185 0.06424 0.05434 9 3PZ -0.04774 -0.11191 0.15216 -0.11436 0.05220 10 4S -0.99433 -0.08698 -0.78479 0.10063 0.17056 11 4PX 0.62695 0.14892 0.37893 0.00050 0.11037 12 4PY -0.36665 -0.05959 0.03116 -0.15914 -0.18589 13 4PZ -0.25294 0.01360 -0.32484 0.18419 0.05136 14 5XX -0.24834 -0.01633 0.05475 -0.04621 -0.08988 15 5YY 0.12122 0.06042 -0.06892 -0.08066 0.09405 16 5ZZ 0.19330 0.00783 0.06020 0.19729 0.00356 17 5XY 0.25463 0.03095 -0.01373 0.19465 0.21167 18 5XZ 0.15105 -0.09059 0.22407 -0.07210 -0.06170 19 5YZ -0.13318 -0.06595 -0.00948 -0.20603 0.06748 20 2 O 1S 0.00155 0.00731 -0.00841 0.00592 -0.00287 21 2S -0.15077 0.09165 -0.04671 0.02456 -0.06287 22 2PX -0.03507 0.12049 0.04497 -0.00905 0.25432 23 2PY -0.12095 -0.06170 0.05155 -0.26515 0.11274 24 2PZ 0.05470 0.01336 0.03107 -0.16727 0.18641 25 3S 0.39705 -0.21120 0.22758 -0.06270 0.16150 26 3PX -0.07559 -0.19553 -0.05797 -0.04265 -0.37338 27 3PY 0.31121 0.21154 -0.14614 0.46703 -0.14712 28 3PZ -0.10291 -0.08105 0.05084 0.15941 -0.23637 29 4XX -0.07575 0.01839 -0.00976 -0.00992 -0.01838 30 4YY -0.03038 0.04382 -0.02207 0.05872 -0.04709 31 4ZZ -0.06012 0.01359 -0.02593 -0.04270 0.00081 32 4XY -0.02893 -0.02422 0.02526 -0.03833 -0.05074 33 4XZ 0.00459 0.00542 -0.01589 0.01957 0.02921 34 4YZ -0.00336 -0.01647 0.00172 0.02384 -0.01022 35 3 O 1S 0.00167 -0.00045 -0.00854 0.00012 0.00799 36 2S -0.01116 -0.05542 -0.03034 -0.25050 0.20445 37 2PX 0.18032 0.03941 0.06715 -0.08115 0.07788 38 2PY -0.12184 0.07272 0.12394 0.11708 -0.09823 39 2PZ 0.05984 0.13742 -0.05869 0.32623 -0.09883 40 3S 0.35124 0.18787 0.41006 0.33170 -0.35899 41 3PX -0.33335 -0.09170 -0.20024 0.19528 -0.21239 42 3PY 0.05678 -0.04252 -0.13759 -0.11108 0.13924 43 3PZ 0.06396 -0.22115 0.21499 -0.47028 0.17281 44 4XX 0.05432 0.01074 -0.04134 -0.06441 0.08680 45 4YY 0.01499 -0.02545 0.03175 -0.08313 0.08434 46 4ZZ -0.03384 -0.03268 -0.01109 -0.09260 0.04206 47 4XY 0.00882 -0.00712 0.05393 -0.05072 0.03077 48 4XZ 0.01749 -0.00211 0.01745 -0.02801 0.02712 49 4YZ 0.03795 0.03640 -0.03228 0.06597 0.01078 50 4 C 1S 0.00356 0.01224 -0.02272 0.00980 0.00424 51 2S -0.45306 0.42891 -0.91242 0.33198 0.12435 52 2PX -0.00421 -0.07819 -0.00910 0.00120 0.03378 53 2PY 0.16212 -0.11767 0.07910 0.01841 0.09820 54 2PZ -0.18862 -0.07553 -0.11983 -0.17062 -0.04319 55 3S 2.12135 -1.13430 2.68124 -0.57439 -0.04135 56 3PX 0.47388 0.37323 0.20424 0.40879 -0.07177 57 3PY -0.21022 0.20409 0.23507 -0.40237 -0.08994 58 3PZ 0.74157 0.67386 0.62491 1.46687 0.17041 59 4XX -0.01736 -0.00185 -0.01230 0.01584 -0.00898 60 4YY 0.00340 0.04063 -0.05352 0.00973 0.00741 61 4ZZ -0.02336 0.02386 -0.05175 0.00929 0.01872 62 4XY -0.05049 -0.03141 0.01279 -0.02334 -0.02039 63 4XZ 0.06815 0.04694 -0.04453 0.07530 0.01523 64 4YZ 0.02044 0.01394 -0.00347 0.05032 -0.00751 65 5 C 1S -0.00061 -0.00827 0.00100 -0.01976 0.01107 66 2S 0.13724 0.06862 0.06027 -0.45110 0.20748 67 2PX 0.11208 -0.05627 0.05185 0.15818 -0.04449 68 2PY -0.12093 -0.01990 -0.00369 0.11864 0.13648 69 2PZ 0.06529 -0.17923 0.06322 -0.01723 0.12086 70 3S -1.00609 0.05823 -0.31864 2.00149 -0.37602 71 3PX -0.43741 0.21843 -0.42321 -0.07746 0.03704 72 3PY -0.44531 -0.45192 -0.02493 -0.66383 -0.73955 73 3PZ -0.24425 0.73035 -0.12514 0.61479 -0.48651 74 4XX -0.06646 -0.02283 0.01947 -0.06163 -0.03149 75 4YY -0.00584 -0.00275 -0.03805 0.02740 0.01656 76 4ZZ 0.03962 0.03017 -0.00772 0.00010 0.03657 77 4XY 0.01180 0.00732 -0.06966 0.06266 -0.03221 78 4XZ -0.04921 -0.03067 -0.01089 -0.03693 -0.01151 79 4YZ -0.03886 -0.04319 0.04180 -0.03196 -0.00633 80 6 C 1S -0.02450 -0.01476 0.02404 -0.00141 -0.00830 81 2S -0.52747 -0.47172 0.31813 0.17989 0.00961 82 2PX -0.35363 -0.01422 0.17172 -0.13709 -0.07035 83 2PY -0.17072 0.00826 0.00786 0.17182 -0.02120 84 2PZ -0.14630 -0.05059 0.43359 0.05177 -0.10519 85 3S 1.25867 1.01205 -0.35186 -0.85894 0.62687 86 3PX 2.30311 0.31564 -0.91514 0.51794 1.01216 87 3PY 0.31112 -0.01219 -0.16658 -0.23673 0.38999 88 3PZ 1.39622 0.09195 -1.48762 -0.06312 0.99154 89 4XX -0.04310 -0.01048 0.01161 0.04011 0.00107 90 4YY -0.05032 -0.03271 0.03413 -0.03493 -0.00437 91 4ZZ 0.00788 -0.02317 0.01896 -0.02250 -0.00443 92 4XY 0.02579 0.01435 -0.07371 0.00639 -0.02485 93 4XZ -0.03658 -0.02443 0.09847 -0.00616 -0.01907 94 4YZ -0.01015 -0.03202 -0.03084 -0.01748 0.00965 95 7 C 1S 0.00941 -0.00750 -0.01098 -0.00939 0.00118 96 2S 0.26704 -0.36391 -0.21625 -0.14406 -0.21974 97 2PX -0.20605 0.05452 0.10949 0.05158 0.06491 98 2PY -0.21120 -0.01001 0.12799 0.29511 -0.11435 99 2PZ 0.07626 -0.05470 0.19454 0.12960 -0.07021 100 3S -1.67463 0.67658 0.57322 -0.50827 0.13223 101 3PX -0.32277 -0.25570 -0.30016 -0.19795 0.06033 102 3PY 1.67117 0.36505 -1.06187 -0.84056 1.11061 103 3PZ 0.41589 0.21648 -0.63365 -0.26719 0.74567 104 4XX 0.01632 -0.01793 -0.04198 -0.01736 -0.01058 105 4YY 0.03998 -0.02141 0.01241 -0.03472 0.00315 106 4ZZ -0.04745 -0.00976 0.00670 0.01534 -0.02309 107 4XY -0.02983 -0.01439 0.04976 0.04164 -0.00117 108 4XZ -0.01093 -0.02573 0.04222 -0.04178 -0.02671 109 4YZ -0.04187 -0.02485 -0.02097 -0.00494 -0.01063 110 8 C 1S -0.01170 0.00038 -0.01049 0.01408 0.00514 111 2S 0.05156 0.11412 0.32295 -0.04258 0.20819 112 2PX -0.03088 -0.02407 0.11598 0.01682 0.09685 113 2PY -0.15090 0.18750 -0.09416 -0.02727 -0.03545 114 2PZ 0.14790 0.15189 0.09317 0.07671 0.04629 115 3S -0.05860 -0.23973 -1.17395 -0.49461 -0.79039 116 3PX -0.22092 0.08323 -0.13373 -0.26113 -0.29556 117 3PY 0.86880 -0.41975 0.81548 0.63992 0.03673 118 3PZ -1.43958 -0.29834 -0.81696 -0.43141 -0.37491 119 4XX 0.03045 0.01448 0.05288 -0.01176 0.01092 120 4YY 0.00817 0.00954 0.01086 0.00793 0.00840 121 4ZZ -0.04926 -0.00036 -0.04925 0.01619 0.00201 122 4XY 0.01493 0.00974 -0.00837 0.02102 0.00241 123 4XZ 0.03691 -0.01966 -0.01757 -0.01529 -0.02960 124 4YZ 0.04927 -0.03172 0.01419 0.01838 -0.02137 125 9 C 1S -0.01596 0.00834 -0.01478 0.00837 0.00209 126 2S -0.48704 0.35763 -0.39937 0.33080 -0.04398 127 2PX -0.10692 0.01792 -0.08115 0.00086 -0.00979 128 2PY -0.18143 0.02322 -0.20436 -0.08014 0.04723 129 2PZ -0.34484 0.08604 0.00594 -0.08235 -0.01652 130 3S 1.12754 -1.00950 0.45603 -0.53872 0.33779 131 3PX 0.49271 -0.06114 0.48419 0.28992 0.09327 132 3PY 1.62951 0.08518 1.48966 1.13595 0.19823 133 3PZ 0.95066 -0.12165 -0.02081 0.01872 -0.13678 134 4XX -0.02932 0.00777 0.00362 -0.01364 -0.01058 135 4YY -0.04035 0.03681 -0.04384 0.04123 0.01892 136 4ZZ -0.02336 0.00419 -0.01740 0.01352 -0.01395 137 4XY -0.02253 -0.00745 -0.03852 -0.03359 -0.00376 138 4XZ 0.00211 0.03684 -0.02075 0.04921 0.01635 139 4YZ -0.03824 -0.00730 -0.05640 -0.00083 -0.00221 140 10 H 1S 0.01489 -0.04077 0.12990 -0.22083 0.02522 141 2S -0.58272 0.33886 -0.56979 -0.03547 -0.07885 142 11 H 1S -0.10466 -0.23305 -0.19574 -0.01286 0.00742 143 2S 0.07334 0.44014 0.12463 -0.53470 -0.43059 144 12 H 1S -0.01224 -0.20806 -0.03521 0.15212 -0.04405 145 2S 0.17161 0.57275 0.41154 -0.10539 0.51097 146 13 H 1S 0.11217 0.00524 0.13927 0.04742 0.09661 147 2S -0.81643 0.27575 -0.13942 0.11817 -0.04078 148 14 C 1S -0.00002 0.01543 0.00908 -0.00253 -0.01210 149 2S -0.33577 -0.70112 0.32724 0.39688 0.70024 150 2PX 0.03335 0.27704 0.31353 -0.08310 -0.34485 151 2PY -0.09445 0.01862 0.08387 0.14863 0.12787 152 2PZ -0.06956 0.24105 0.24751 0.06700 -0.14244 153 3S 2.04518 1.42503 -1.14013 -0.20511 -0.98867 154 3PX 0.51071 -0.34976 -1.16762 0.25310 1.16633 155 3PY 0.17756 -0.21770 -0.17283 -0.47464 -0.72782 156 3PZ 0.56426 -0.42089 -0.56028 -0.13228 0.28453 157 4XX 0.00585 -0.07195 0.00821 0.05483 0.07048 158 4YY -0.03622 0.02994 0.07114 0.00759 -0.03004 159 4ZZ 0.00241 -0.05177 -0.05185 0.00696 0.05980 160 4XY 0.02546 -0.01866 -0.00886 -0.02878 0.01251 161 4XZ 0.01595 -0.00411 -0.01188 0.03729 0.00296 162 4YZ -0.01352 0.04078 0.08076 -0.03517 -0.05917 163 15 H 1S -0.08779 0.39797 0.19178 -0.04020 -0.32826 164 2S -0.14339 -0.55085 -0.34825 0.38443 1.56253 165 16 H 1S 0.11030 0.37565 0.14466 -0.27509 -0.38555 166 2S 0.00762 -0.97830 -0.58145 0.12354 0.68959 167 17 C 1S 0.00386 0.01567 0.00085 -0.00320 0.01121 168 2S 0.32657 -0.50170 -0.52188 -0.23123 -0.45589 169 2PX 0.03103 0.09770 0.12099 0.13594 0.27337 170 2PY 0.00966 -0.31569 0.07632 0.25155 -0.37799 171 2PZ -0.09196 -0.12038 0.07315 0.16244 -0.01127 172 3S -1.29438 0.59330 1.34479 0.81601 0.54259 173 3PX -0.26197 -0.02717 -0.14546 -0.27616 -1.06555 174 3PY 0.43392 0.69037 -0.44308 -0.73723 1.02039 175 3PZ 0.34852 0.32309 -0.25391 -0.60496 -0.21158 176 4XX 0.04554 -0.00114 -0.03283 -0.03674 0.01140 177 4YY 0.01326 -0.05721 -0.03626 0.03211 -0.05961 178 4ZZ -0.01109 -0.01399 -0.00399 -0.01912 -0.01662 179 4XY -0.01517 0.02034 0.02629 0.00417 0.03411 180 4XZ 0.00651 0.07057 -0.02221 -0.04754 0.07090 181 4YZ 0.02313 0.01501 0.02594 -0.00430 0.02368 182 18 H 1S -0.11090 0.35470 0.22854 0.01350 0.36979 183 2S -0.01273 -0.90238 -0.14252 0.50492 -0.60336 184 19 H 1S 0.04548 0.38235 -0.08433 -0.16085 0.34493 185 2S 0.01435 -0.43832 -0.15216 -0.16399 -1.48193 106 107 108 109 110 V V V V V Eigenvalues -- 1.00174 1.03157 1.06058 1.08543 1.08849 1 1 S 1S 0.00842 0.00191 0.00552 0.00230 -0.00144 2 2S 0.02160 -0.00688 0.04069 0.01544 -0.04664 3 2PX -0.00718 0.01787 -0.00972 0.01029 0.01658 4 2PY 0.00716 0.02409 0.01208 0.00793 -0.02258 5 2PZ -0.00245 0.01109 -0.03066 -0.01031 -0.00790 6 3S 0.31124 0.01064 0.26833 0.11246 -0.16511 7 3PX 0.01265 -0.09144 0.02185 -0.03278 -0.06596 8 3PY -0.04080 -0.15816 -0.03653 0.00305 0.05190 9 3PZ 0.00997 -0.06560 0.16484 0.04760 0.07441 10 4S -0.78932 0.22930 -0.84896 -0.21331 0.44650 11 4PX 0.16854 -0.24164 0.47093 0.39288 -0.25413 12 4PY 0.24059 -0.02729 -0.04869 0.38612 -0.37024 13 4PZ -0.34671 -0.01775 -0.49081 -0.21882 -0.62784 14 5XX 0.10180 0.39019 -0.00819 0.07239 -0.04727 15 5YY -0.08883 -0.04143 -0.06544 -0.05022 -0.04652 16 5ZZ -0.00476 -0.28358 0.14181 -0.00755 0.01217 17 5XY -0.21324 0.12901 0.17076 0.07636 0.04655 18 5XZ 0.24900 -0.13494 0.26069 -0.03978 0.12174 19 5YZ -0.06664 -0.13982 0.02103 -0.00101 -0.05920 20 2 O 1S 0.00186 0.00033 -0.00870 0.00689 0.00177 21 2S 0.11012 -0.04344 -0.03783 0.15749 -0.09358 22 2PX -0.22930 0.09993 0.27625 0.55915 -0.13048 23 2PY -0.14823 0.01918 -0.20339 -0.16034 -0.11184 24 2PZ -0.26255 -0.00502 -0.15643 -0.16306 -0.62205 25 3S -0.19795 0.04584 0.22092 -0.41881 0.06857 26 3PX 0.32611 -0.10984 -0.41273 -0.80197 0.19798 27 3PY 0.19772 -0.04692 0.19717 0.21490 0.22478 28 3PZ 0.35922 0.01663 0.31755 0.21548 0.91303 29 4XX 0.02740 0.02377 -0.01875 0.05245 0.00061 30 4YY 0.06683 -0.02915 -0.00422 0.06550 0.02130 31 4ZZ 0.00333 -0.02052 -0.04140 0.02757 -0.07253 32 4XY 0.06789 -0.02888 -0.01526 -0.04017 0.01792 33 4XZ -0.03501 0.00449 0.02183 0.04584 0.01196 34 4YZ 0.00214 -0.00913 0.02119 0.01100 0.03786 35 3 O 1S -0.00638 -0.00873 0.01645 -0.00064 0.00465 36 2S -0.25300 -0.19634 0.20724 -0.02545 0.19364 37 2PX -0.16898 0.10758 -0.24781 -0.15128 0.12525 38 2PY 0.12550 0.29974 -0.04055 -0.06130 -0.03304 39 2PZ 0.11076 0.36388 -0.07186 -0.05050 -0.19871 40 3S 0.47244 0.81345 -0.66858 0.00544 -0.20329 41 3PX 0.38630 -0.35045 0.43958 0.36023 -0.51590 42 3PY -0.20282 -0.42558 0.04076 0.11656 -0.08978 43 3PZ -0.13798 -0.35631 0.01643 0.05640 0.45301 44 4XX -0.11541 -0.08576 0.04544 -0.03471 0.12395 45 4YY -0.08467 -0.06130 0.09860 -0.03427 0.07869 46 4ZZ -0.04484 -0.03158 0.06104 0.03473 -0.00425 47 4XY -0.02655 0.04216 0.03438 0.00645 0.00158 48 4XZ -0.03738 -0.00047 -0.03614 -0.02507 0.02600 49 4YZ 0.00162 0.02775 0.03484 -0.02913 -0.03665 50 4 C 1S -0.01718 0.00186 0.00576 -0.02596 0.00665 51 2S -0.41914 0.23640 0.51477 -0.69054 0.11294 52 2PX 0.02864 0.03660 0.13109 -0.06180 -0.00810 53 2PY -0.09340 0.04805 0.05152 0.01787 0.04133 54 2PZ 0.09262 0.01317 0.24525 -0.06417 -0.06594 55 3S 0.78368 -1.21685 -2.44493 2.15081 0.33773 56 3PX -0.10206 0.18492 -0.93239 0.14533 0.10466 57 3PY 0.04271 0.46600 -0.57244 -0.50203 0.71517 58 3PZ -0.59342 -0.41854 -1.62755 0.75038 -0.28968 59 4XX 0.01315 -0.00184 -0.00093 0.00346 -0.02714 60 4YY -0.02316 0.06502 0.04661 -0.09890 0.02277 61 4ZZ -0.04949 -0.04446 0.00254 -0.00392 0.03584 62 4XY 0.00514 -0.04995 -0.01167 0.02611 -0.02051 63 4XZ -0.03163 0.01260 -0.04302 -0.03086 0.01601 64 4YZ 0.01020 -0.06400 -0.04472 0.05239 -0.02425 65 5 C 1S -0.01034 0.00460 0.00934 -0.00942 0.03264 66 2S -0.23908 0.09795 0.13323 -0.09354 0.51494 67 2PX 0.01754 0.30242 -0.17198 0.06335 0.00337 68 2PY -0.11884 0.28678 -0.03256 0.00893 0.06439 69 2PZ -0.10467 0.07407 -0.08715 0.10311 0.09331 70 3S 0.85848 -0.29405 0.00299 1.08617 -2.45065 71 3PX -0.47375 -1.10235 0.54443 -0.04246 -0.23528 72 3PY 1.03449 -0.94426 0.80643 0.73346 -0.94449 73 3PZ -0.04439 -0.11669 -0.05816 0.03067 -0.57879 74 4XX 0.05237 0.01581 0.05200 0.06577 -0.04570 75 4YY -0.00700 -0.08899 0.01610 0.00993 -0.00797 76 4ZZ -0.04717 0.05661 0.01940 -0.06684 0.05793 77 4XY 0.02821 -0.06362 0.00262 -0.00556 -0.03210 78 4XZ 0.00483 -0.04503 0.03118 0.02926 -0.03052 79 4YZ 0.04471 0.04049 0.06043 -0.02572 -0.03407 80 6 C 1S -0.00087 -0.00081 0.00768 0.01215 -0.02023 81 2S 0.03089 0.15461 0.43545 0.19490 -0.54026 82 2PX -0.12270 0.06292 -0.11314 0.09570 0.09650 83 2PY -0.23097 -0.09866 -0.00146 -0.09131 -0.02434 84 2PZ -0.05405 0.05629 0.01158 0.08672 0.03275 85 3S -0.34940 0.05395 -2.10427 -1.08135 2.98149 86 3PX -0.18388 0.50261 -0.00129 -1.27406 0.82921 87 3PY 1.49960 0.32886 0.08822 0.10388 -0.12808 88 3PZ 0.47794 -0.09197 -0.00145 -0.97436 0.43861 89 4XX -0.05534 -0.08549 -0.03562 -0.02199 0.01598 90 4YY 0.03107 0.08018 0.02082 -0.00143 -0.03894 91 4ZZ 0.02792 0.01895 0.04677 0.03724 -0.01807 92 4XY 0.02253 -0.00484 -0.03920 -0.02399 0.00088 93 4XZ 0.02157 0.05471 -0.00474 0.00271 -0.02054 94 4YZ -0.00424 -0.03567 0.01178 0.02874 -0.03779 95 7 C 1S 0.00831 0.00342 -0.00633 -0.01420 -0.00897 96 2S 0.18167 0.01777 -0.25613 -0.12524 -0.39647 97 2PX -0.21669 0.03415 -0.00790 0.08327 0.12223 98 2PY -0.10308 -0.13116 0.11410 0.03731 -0.17021 99 2PZ -0.09754 -0.17626 0.08289 -0.21160 -0.12529 100 3S -0.74034 0.87045 0.61260 1.71368 1.54033 101 3PX 1.03456 0.44007 -0.09213 0.08939 -0.13114 102 3PY 0.37893 0.19332 -0.54401 -0.77487 1.80099 103 3PZ 0.74197 0.79541 -0.43661 0.02847 1.09689 104 4XX 0.00482 -0.03396 -0.00891 -0.02400 0.01957 105 4YY 0.02560 0.03243 0.02255 0.03058 -0.05399 106 4ZZ 0.00174 0.00009 -0.05183 -0.02714 -0.00903 107 4XY -0.02119 -0.02973 0.01533 -0.00928 -0.02945 108 4XZ 0.03145 0.05797 0.00772 0.01450 -0.03859 109 4YZ -0.00517 -0.02595 -0.01426 0.01524 -0.02141 110 8 C 1S -0.02200 0.01114 -0.02029 0.00589 0.00431 111 2S -0.11398 0.11532 0.04289 0.01696 0.31164 112 2PX 0.03284 -0.08853 0.15993 0.05961 -0.12099 113 2PY 0.10488 -0.14400 -0.00133 0.18326 0.05518 114 2PZ 0.02736 -0.04770 0.04052 -0.05725 -0.18406 115 3S 0.23511 -0.84159 0.16784 -0.49618 -0.10913 116 3PX 0.41509 0.75182 -0.11906 0.29789 0.49442 117 3PY -0.65084 0.24898 0.23584 -0.46196 -0.91447 118 3PZ -0.01746 0.36648 -0.32758 0.18080 0.30522 119 4XX -0.00885 0.04074 0.00841 0.00432 -0.01019 120 4YY -0.00235 -0.02177 -0.05113 -0.00086 0.03186 121 4ZZ -0.03329 -0.02661 0.00965 0.00648 0.00818 122 4XY -0.00222 -0.00258 0.00424 0.04162 -0.05041 123 4XZ 0.02372 -0.03120 0.00478 -0.00923 0.01406 124 4YZ 0.00912 -0.02831 -0.02562 0.03352 -0.02377 125 9 C 1S -0.00455 -0.00964 -0.02845 0.01160 0.00564 126 2S -0.10299 -0.46713 -1.00074 0.50654 0.21847 127 2PX -0.03504 0.04341 0.00744 -0.05402 -0.05649 128 2PY -0.04013 0.15990 0.16642 -0.11138 0.12431 129 2PZ 0.06329 0.04256 0.03768 0.01943 0.00436 130 3S -0.11444 1.28701 3.93293 -1.87117 -1.08289 131 3PX -0.04742 -0.41199 -0.06677 0.16072 -0.11155 132 3PY -0.36444 -0.52354 -1.27802 0.81173 -0.57561 133 3PZ 0.15134 -0.42872 -0.14323 -0.39374 0.18083 134 4XX 0.01676 0.00907 0.01990 0.01985 0.00301 135 4YY -0.02562 -0.01751 -0.01126 -0.01240 0.00308 136 4ZZ 0.00228 -0.04902 -0.11839 0.05498 0.00076 137 4XY 0.00341 -0.02011 0.00224 -0.03474 0.04775 138 4XZ -0.00928 0.00809 0.01898 0.04191 -0.02153 139 4YZ -0.00859 0.00435 0.06894 -0.03894 -0.02000 140 10 H 1S -0.08350 0.38453 0.09892 -0.33498 0.22330 141 2S -0.03238 0.22172 0.16948 -0.53866 0.21145 142 11 H 1S 0.08247 -0.03210 0.08801 0.09552 -0.01038 143 2S 0.02442 -0.57604 0.18923 0.09020 -0.05317 144 12 H 1S -0.18069 -0.02349 -0.09994 0.06998 0.07511 145 2S 0.26091 -0.17907 0.35054 -0.01450 0.22097 146 13 H 1S -0.07688 0.10405 -0.33416 0.27647 0.06759 147 2S -0.06462 -0.09181 -0.52914 0.41598 0.02112 148 14 C 1S -0.00423 -0.00582 -0.00685 0.00168 0.00455 149 2S 0.15203 0.00882 -0.57212 -0.10673 0.50768 150 2PX -0.25177 -0.00992 -0.06389 -0.01866 0.11824 151 2PY -0.06548 -0.16343 0.07285 -0.16306 0.00917 152 2PZ -0.21816 -0.02633 -0.00466 -0.09906 0.08269 153 3S -0.64283 0.22867 1.61262 -0.69022 -0.96841 154 3PX 0.58632 0.04050 0.37147 -0.39226 -0.19043 155 3PY -0.18138 0.53361 -0.53902 0.67552 -0.07376 156 3PZ 0.42670 0.46271 -0.00423 0.21724 -0.17405 157 4XX 0.04546 0.02441 0.02733 -0.00996 -0.00450 158 4YY -0.03338 0.01018 -0.05506 -0.01699 0.04119 159 4ZZ 0.00629 -0.03437 -0.04287 0.01414 0.02773 160 4XY 0.03471 0.05884 -0.02865 0.02888 -0.00084 161 4XZ -0.00726 -0.01299 -0.01565 -0.02321 -0.02154 162 4YZ -0.02243 0.00366 -0.01159 0.04675 0.00270 163 15 H 1S -0.26124 -0.16255 0.16161 -0.09888 0.05483 164 2S 0.79859 -0.15417 -0.13639 -0.31960 0.21242 165 16 H 1S -0.07965 0.07122 -0.15555 0.12768 0.00571 166 2S 0.46953 0.34438 -0.35829 0.23011 0.10920 167 17 C 1S 0.00733 0.00049 0.00106 0.00214 0.00846 168 2S -0.69145 0.45807 0.13073 0.41957 0.43386 169 2PX 0.02625 -0.01573 0.06145 -0.09807 0.05258 170 2PY -0.30479 -0.13531 0.03186 -0.06809 -0.02061 171 2PZ -0.13728 -0.13029 0.01711 -0.11715 0.00632 172 3S 1.85429 -0.99532 -0.08227 -0.65991 -2.52501 173 3PX -0.28534 -0.24492 -0.05561 0.50550 -0.55066 174 3PY 0.62743 0.34703 -0.11816 0.22832 0.63817 175 3PZ 0.19154 0.02128 0.00300 0.38325 -0.09569 176 4XX -0.00962 0.01257 0.01014 0.02369 -0.00019 177 4YY -0.05398 0.00440 0.00326 0.00314 0.00169 178 4ZZ -0.02993 0.03487 -0.00224 0.00680 0.04940 179 4XY -0.01391 0.00825 -0.00306 -0.03451 0.05035 180 4XZ 0.05851 0.01668 -0.01507 0.01374 0.03658 181 4YZ 0.02424 0.03172 0.02710 -0.01477 -0.01349 182 18 H 1S 0.17089 0.08150 0.03474 -0.12342 0.08806 183 2S -0.89225 0.01044 0.05948 -0.04253 0.27049 184 19 H 1S 0.32024 -0.08326 -0.05314 0.09344 0.05190 185 2S -1.06949 0.09724 0.12741 0.39661 0.03439 111 112 113 114 115 V V V V V Eigenvalues -- 1.11646 1.14769 1.16319 1.18277 1.20101 1 1 S 1S 0.00687 -0.00063 -0.01382 0.00970 0.00688 2 2S -0.00463 -0.02351 0.01647 -0.01221 -0.00911 3 2PX -0.00091 0.00565 -0.02622 0.01815 0.00638 4 2PY -0.02168 -0.02152 0.01804 0.00305 -0.02464 5 2PZ 0.01564 0.00979 0.00504 0.01831 -0.00042 6 3S 0.20104 -0.08305 -0.35657 0.27522 0.18309 7 3PX 0.00088 -0.04318 0.15448 -0.06680 -0.05025 8 3PY 0.05476 0.00026 -0.06589 0.00041 0.11521 9 3PZ -0.05658 0.01431 -0.07799 -0.11556 0.10461 10 4S -0.40539 0.11011 0.18615 -0.25305 0.06106 11 4PX 0.41466 -0.29409 -0.20359 0.36135 0.05298 12 4PY 0.24674 -0.01628 -0.41003 0.72936 0.12376 13 4PZ -0.03101 0.08957 -0.29153 0.00801 -0.34570 14 5XX -0.16136 0.05405 0.18364 -0.00447 -0.12674 15 5YY 0.32524 0.04673 -0.18615 0.03959 0.20044 16 5ZZ -0.21472 -0.13656 0.03304 -0.11989 -0.11566 17 5XY -0.19941 -0.05313 -0.01567 -0.07368 0.07283 18 5XZ -0.06473 0.05558 0.01630 -0.02333 0.02157 19 5YZ -0.06236 -0.04919 0.33613 -0.25979 -0.43676 20 2 O 1S 0.01754 -0.00113 -0.02434 0.02704 0.02795 21 2S 0.09196 -0.23691 -0.14763 0.31055 0.08372 22 2PX 0.13477 -0.18843 0.13561 0.22124 0.02744 23 2PY 0.09865 0.26185 -0.32263 0.16303 0.25264 24 2PZ -0.25612 -0.04186 -0.01303 0.08533 -0.17793 25 3S -0.35229 0.38942 0.54770 -0.94888 -0.54190 26 3PX -0.21392 0.32134 -0.14415 -0.36567 -0.07807 27 3PY 0.03397 -0.37009 0.16277 0.00399 0.01797 28 3PZ 0.14494 0.04770 0.24064 -0.29035 0.10896 29 4XX 0.00595 -0.01011 -0.06460 0.07177 0.03582 30 4YY 0.03460 -0.09385 -0.07843 0.12883 0.09278 31 4ZZ 0.08634 -0.05027 -0.02950 0.10411 0.00506 32 4XY 0.02901 0.03215 -0.00911 -0.01385 -0.02250 33 4XZ -0.00819 -0.02929 -0.00205 0.00364 0.01708 34 4YZ -0.04481 -0.01475 0.04554 -0.03153 -0.00883 35 3 O 1S -0.00391 0.00976 0.01398 -0.01468 -0.01386 36 2S 0.01131 0.23232 0.08575 -0.22899 -0.12560 37 2PX 0.23178 -0.14518 0.25056 -0.18392 -0.02391 38 2PY -0.45228 0.13289 -0.00740 0.13304 -0.04675 39 2PZ 0.39100 0.06829 -0.13789 -0.04437 -0.21233 40 3S -0.08728 -0.56315 -0.15719 0.76206 0.22364 41 3PX -0.20231 0.40810 -0.57610 0.40534 0.05052 42 3PY 0.83692 -0.29504 -0.17845 -0.19635 0.13041 43 3PZ -0.65117 -0.03670 0.29382 0.08371 0.39180 44 4XX -0.03804 0.11849 0.05341 -0.06601 -0.05587 45 4YY -0.08077 0.03848 0.11861 -0.09413 -0.05414 46 4ZZ 0.09485 0.02581 -0.01526 -0.05956 -0.02557 47 4XY 0.02834 -0.00120 0.03458 -0.07236 -0.11163 48 4XZ 0.00814 -0.01002 0.04019 -0.04399 0.02041 49 4YZ -0.04284 0.06118 0.02764 -0.01673 -0.03579 50 4 C 1S -0.00314 -0.00764 0.00439 -0.02045 0.01797 51 2S 0.03331 -0.08895 -0.16850 -0.53482 0.21051 52 2PX -0.05621 0.08107 0.05732 0.02871 -0.00940 53 2PY -0.02403 0.10059 -0.12895 -0.08848 -0.03837 54 2PZ 0.08176 -0.09256 -0.02958 0.02140 -0.05879 55 3S -1.14409 0.09883 1.13280 2.20109 -1.52094 56 3PX 0.09684 -0.26067 0.28750 -0.01200 -0.25785 57 3PY -0.54924 -1.58738 1.01251 1.13302 -0.33665 58 3PZ 0.48377 0.25759 -0.01588 -0.88632 -0.04043 59 4XX -0.00706 0.02190 0.00963 0.02378 -0.03900 60 4YY 0.01968 -0.06948 0.05270 0.00592 0.01156 61 4ZZ -0.02444 0.02979 -0.03445 -0.07600 0.04634 62 4XY -0.03236 -0.06004 -0.01292 -0.02474 -0.01430 63 4XZ -0.03397 0.03972 0.01901 0.02670 -0.00931 64 4YZ 0.00541 0.02568 -0.00953 0.02893 -0.01314 65 5 C 1S -0.01082 0.00027 -0.00577 0.01142 -0.00141 66 2S -0.19634 0.33003 -0.13072 0.23925 -0.03046 67 2PX -0.07490 0.02604 0.01142 -0.05644 -0.02893 68 2PY -0.01968 -0.05969 -0.11711 -0.18886 -0.04864 69 2PZ -0.08297 0.11322 -0.03343 -0.27777 0.03632 70 3S 0.81945 0.66410 -1.32921 -2.18485 -0.33989 71 3PX 0.88923 -0.48177 -0.63232 0.13007 0.51148 72 3PY -0.38790 0.63947 -0.81263 0.59738 -0.13289 73 3PZ 0.71997 -0.62545 -0.65324 -0.10351 0.14197 74 4XX 0.01769 -0.03556 -0.06530 0.00953 -0.00880 75 4YY 0.01297 0.07448 -0.05041 -0.02444 0.01592 76 4ZZ -0.02825 0.04073 0.02780 0.00420 -0.01425 77 4XY 0.03175 0.00374 -0.03855 0.06933 0.01392 78 4XZ 0.01561 -0.05740 -0.04899 -0.05833 0.07748 79 4YZ 0.01766 -0.02793 0.03167 0.06185 -0.07572 80 6 C 1S -0.00827 0.00786 0.00882 -0.02576 -0.00163 81 2S -0.04754 0.59013 0.43431 -0.50268 0.08674 82 2PX 0.10570 -0.23601 -0.32709 -0.15747 -0.05643 83 2PY 0.12895 -0.11464 0.16377 -0.05732 0.27977 84 2PZ 0.00370 -0.18034 -0.13580 -0.05286 0.04283 85 3S 1.48886 -1.99691 -0.51120 2.44420 -0.34074 86 3PX 0.04746 2.16037 3.59264 2.04600 -0.44102 87 3PY -0.18566 1.52767 -0.01482 0.76514 -1.40231 88 3PZ 0.24127 2.55330 2.17905 1.50214 -0.80710 89 4XX 0.01763 -0.00980 -0.01515 -0.07108 0.02142 90 4YY 0.01382 0.01294 0.06627 -0.03485 -0.02333 91 4ZZ -0.00700 0.02149 -0.00647 0.05019 -0.00246 92 4XY 0.01151 -0.00692 0.02906 0.01961 0.02191 93 4XZ 0.01292 -0.01219 0.04743 0.04541 -0.03534 94 4YZ 0.03842 0.01877 0.03893 -0.06440 0.06023 95 7 C 1S 0.01123 -0.00492 0.02209 0.01469 0.00566 96 2S 0.20390 -0.51475 0.59315 0.14979 0.30524 97 2PX 0.04372 -0.01340 -0.01290 0.20983 -0.27881 98 2PY -0.19192 -0.17767 -0.07406 -0.30055 0.12756 99 2PZ -0.04117 -0.04099 -0.28105 -0.10973 -0.05998 100 3S -0.34399 1.10543 -2.35738 -1.10979 -0.35120 101 3PX -0.28830 0.51411 -0.21478 -1.26729 1.79820 102 3PY 1.80228 2.52950 2.35495 3.44356 -2.29781 103 3PZ 0.53205 1.43273 1.70911 1.40506 -0.43498 104 4XX -0.01082 -0.04323 0.03961 0.07104 -0.05831 105 4YY 0.04162 0.00989 -0.04566 -0.02383 0.05973 106 4ZZ 0.01322 0.00308 0.05124 -0.03202 0.01692 107 4XY 0.00262 -0.01482 -0.02180 -0.01464 0.03521 108 4XZ 0.07120 0.01994 0.05272 -0.01670 0.07005 109 4YZ -0.00643 -0.05521 0.08505 0.03998 -0.02194 110 8 C 1S -0.01255 0.00970 -0.01828 -0.01460 -0.02331 111 2S -0.12269 0.04195 -0.52122 -0.31600 -0.22045 112 2PX 0.05770 0.06522 -0.15301 -0.14137 0.16929 113 2PY 0.08068 0.12215 -0.02435 -0.28145 -0.16803 114 2PZ -0.01964 -0.09277 0.02765 -0.14107 -0.29837 115 3S 0.15981 -1.36655 2.11871 2.74096 -0.12110 116 3PX -0.34251 0.36311 0.08439 -0.37405 0.68970 117 3PY -0.32632 -0.44787 -0.70284 -0.23039 0.99966 118 3PZ -0.52556 0.35599 -0.18200 -0.18429 1.66509 119 4XX 0.00981 0.02076 -0.01798 -0.06423 0.05918 120 4YY 0.00593 0.01625 0.01103 0.05971 -0.01557 121 4ZZ -0.04983 -0.06241 -0.02559 0.00234 -0.11602 122 4XY -0.06880 -0.01852 -0.07959 -0.07273 0.05937 123 4XZ 0.02968 -0.02495 0.00120 0.05091 -0.07537 124 4YZ 0.09327 0.04215 0.02171 -0.01862 -0.09799 125 9 C 1S -0.01935 0.00268 0.02003 0.00325 0.00434 126 2S -0.55743 -0.01188 0.40098 0.31263 0.03616 127 2PX -0.01713 -0.02321 -0.02512 -0.14703 0.06921 128 2PY -0.11526 -0.06075 -0.01069 -0.00065 0.06432 129 2PZ 0.18371 0.12863 0.08808 -0.13514 -0.07695 130 3S 1.10618 0.42465 -2.31998 -1.48376 0.69253 131 3PX -0.13193 -0.47358 0.01509 0.47673 -0.30433 132 3PY 0.44317 0.47391 -0.36264 -0.63585 -0.65597 133 3PZ -0.63094 -1.55968 0.60752 1.47751 -0.99546 134 4XX 0.01308 0.00538 0.00488 -0.02549 -0.00022 135 4YY -0.11404 -0.04830 -0.02803 0.03946 0.05432 136 4ZZ 0.03591 0.05448 0.07412 -0.01425 -0.04410 137 4XY 0.05100 0.01156 0.04422 0.03976 -0.06670 138 4XZ -0.04598 0.02574 -0.05456 -0.05463 0.13261 139 4YZ -0.00772 -0.02915 -0.02538 -0.01687 -0.02914 140 10 H 1S -0.07701 -0.41663 0.08235 0.13702 0.05211 141 2S -0.13352 -0.63300 0.28297 0.21347 0.02240 142 11 H 1S 0.02588 -0.04878 -0.20212 0.25957 0.00553 143 2S 0.04732 -0.07043 -0.23131 0.46406 0.15171 144 12 H 1S 0.13438 -0.00870 -0.10661 -0.02151 -0.45373 145 2S 0.19377 0.15526 -0.01193 -0.41681 -0.67203 146 13 H 1S 0.02512 0.39963 -0.03963 -0.24005 0.23431 147 2S 0.11231 0.60434 0.09560 -0.46184 0.16774 148 14 C 1S -0.00027 -0.02172 -0.02301 0.00137 -0.00435 149 2S 0.02525 -0.67935 -0.55119 0.17372 -0.19016 150 2PX -0.04168 0.00654 -0.00534 0.03522 -0.01722 151 2PY 0.12320 0.04417 0.02954 0.14478 0.03844 152 2PZ 0.03213 -0.02489 0.04534 0.15757 -0.03012 153 3S -0.28680 4.00760 4.26759 0.81043 0.05191 154 3PX 0.07603 1.34589 1.26151 0.40782 -0.21082 155 3PY -0.36678 -1.13790 -0.09866 -1.10860 0.92238 156 3PZ -0.26869 0.22202 0.75941 -0.30646 0.34772 157 4XX -0.03006 0.04269 0.04018 0.08786 -0.04786 158 4YY 0.02270 -0.08579 -0.08921 -0.01008 -0.02802 159 4ZZ -0.00328 -0.02879 -0.02751 -0.05751 0.04770 160 4XY -0.02444 -0.05376 0.01514 -0.02458 0.02492 161 4XZ -0.00509 0.01047 0.04564 -0.04839 0.04182 162 4YZ -0.02656 -0.07236 -0.04207 -0.01353 0.00513 163 15 H 1S 0.08559 0.16519 -0.14906 0.18240 -0.20098 164 2S 0.18722 0.09716 -0.13484 0.44575 -0.39191 165 16 H 1S -0.05912 -0.31910 -0.01323 -0.16010 0.27218 166 2S -0.08914 -0.48124 -0.17836 -0.37635 0.14805 167 17 C 1S 0.00312 0.01680 -0.00478 0.01592 -0.01703 168 2S -0.05923 0.46439 -0.27771 0.34966 -0.28632 169 2PX 0.00975 -0.01672 0.03436 0.13871 0.08639 170 2PY 0.07727 -0.02853 0.13321 0.10465 -0.04873 171 2PZ 0.08861 0.03681 0.05976 0.10041 0.09254 172 3S -1.13301 -2.89997 -0.62104 -3.20374 2.81706 173 3PX -0.62344 -1.05506 -0.99696 -1.10494 -0.49200 174 3PY 0.22344 0.71109 0.07979 0.82046 -1.13519 175 3PZ -0.24190 -0.29386 -0.81022 -0.37570 -0.89532 176 4XX 0.00330 0.01536 -0.08524 0.00035 -0.04709 177 4YY -0.04649 -0.02920 0.04994 0.02360 0.00361 178 4ZZ 0.02409 0.07152 -0.01564 0.01941 0.01077 179 4XY 0.03134 0.04712 0.04984 0.07781 -0.02397 180 4XZ -0.00366 0.02160 0.03576 0.07395 -0.06732 181 4YZ 0.04339 0.05761 0.01142 0.00726 0.08624 182 18 H 1S 0.13300 0.25175 0.25667 0.12278 0.18166 183 2S 0.16607 0.29976 0.26283 0.45733 0.27884 184 19 H 1S -0.07889 -0.12538 -0.23556 -0.08485 -0.30310 185 2S -0.18665 -0.05672 -0.50808 -0.22653 -0.44554 116 117 118 119 120 V V V V V Eigenvalues -- 1.21032 1.22829 1.29313 1.33014 1.34798 1 1 S 1S -0.00015 0.00602 0.00232 0.00225 0.00516 2 2S 0.04518 0.07651 0.01148 0.00865 -0.00043 3 2PX 0.02141 -0.01691 0.00554 0.00044 0.01358 4 2PY 0.03581 0.01242 -0.00118 0.00691 0.00398 5 2PZ -0.03274 0.02111 -0.02384 0.00087 -0.00669 6 3S 0.09797 0.40181 0.10634 0.09034 0.15009 7 3PX -0.11105 0.03818 -0.01308 -0.03140 -0.06367 8 3PY -0.03157 0.01359 0.02360 0.03388 0.00117 9 3PZ 0.16594 -0.12510 0.11687 -0.03743 0.03683 10 4S 0.01289 -1.19670 -0.71205 0.12885 0.04107 11 4PX -0.28294 0.58389 0.21858 -0.04862 0.11011 12 4PY -0.44007 -0.01546 0.12536 -0.33119 0.47271 13 4PZ 0.26957 -0.45991 0.46215 0.00481 -0.11882 14 5XX 0.49156 0.07399 0.05923 -0.09768 0.06753 15 5YY -0.27059 -0.03996 -0.11589 0.10948 -0.05688 16 5ZZ -0.08795 0.04769 0.03720 0.01381 -0.00109 17 5XY 0.13733 -0.01661 0.00104 0.14968 -0.05107 18 5XZ -0.15161 0.26135 -0.03710 0.00753 -0.00192 19 5YZ 0.23484 0.21067 0.13113 -0.05991 -0.00174 20 2 O 1S -0.03054 -0.00484 -0.02029 0.00350 0.01637 21 2S 0.03456 0.21260 -0.15096 0.15359 0.24600 22 2PX -0.16371 -0.01102 -0.06001 -0.18315 0.11657 23 2PY -0.43010 -0.19807 -0.03431 -0.07573 -0.00463 24 2PZ 0.17568 0.18114 0.12697 0.02875 0.03961 25 3S 0.45438 -0.17413 0.60161 -0.21703 -0.70871 26 3PX 0.25557 -0.02045 0.06922 0.24974 -0.17061 27 3PY 0.25590 0.20857 -0.20028 0.22531 0.06797 28 3PZ -0.07831 -0.17216 -0.14877 -0.07995 -0.12460 29 4XX -0.00613 0.03278 -0.01906 0.02673 0.07180 30 4YY -0.04049 0.04549 -0.10495 0.06279 0.07234 31 4ZZ -0.03279 0.05733 -0.03894 -0.00447 0.08768 32 4XY 0.00325 0.01060 0.00754 -0.02702 0.00562 33 4XZ 0.03038 -0.07591 -0.00563 -0.01512 0.00303 34 4YZ 0.00522 -0.04671 -0.01888 -0.04019 -0.01194 35 3 O 1S 0.01161 0.00023 0.00373 0.01746 -0.01782 36 2S -0.02517 -0.16051 0.00958 0.17307 -0.17905 37 2PX -0.11543 0.08987 -0.32694 0.07606 -0.09145 38 2PY -0.30538 0.05428 -0.13863 -0.16655 0.12395 39 2PZ 0.05726 -0.08018 0.02712 0.12985 -0.06146 40 3S -0.19667 0.04907 0.12026 -0.52979 0.67978 41 3PX 0.15238 -0.08520 0.74233 -0.22003 0.11054 42 3PY 0.43338 -0.10090 0.41666 0.26043 -0.28182 43 3PZ -0.23878 0.03651 -0.06248 -0.35491 0.26516 44 4XX 0.00123 -0.09118 0.11733 -0.05269 -0.00249 45 4YY 0.00906 -0.00104 -0.03940 0.01954 -0.04394 46 4ZZ 0.01052 -0.01166 -0.07274 0.21171 -0.14172 47 4XY -0.02347 -0.00988 -0.02953 0.16045 -0.07694 48 4XZ -0.06673 0.02308 -0.07735 -0.00630 -0.03129 49 4YZ 0.00023 0.08740 -0.04269 -0.09393 0.04098 50 4 C 1S -0.00818 0.01855 0.00327 -0.03194 0.00781 51 2S -0.14252 0.32354 0.11605 -0.48504 0.17829 52 2PX -0.05890 -0.05569 0.02937 -0.00908 0.04091 53 2PY -0.03246 -0.00316 0.05916 -0.02324 0.01861 54 2PZ -0.04970 0.09119 0.00623 0.02607 -0.03316 55 3S -0.48133 -2.15378 0.46948 1.88665 -0.38778 56 3PX -0.24511 -0.09792 0.09885 -0.12482 -0.13473 57 3PY -0.50464 -1.04694 0.30308 0.78218 -0.50245 58 3PZ -0.09744 0.35402 0.11359 -0.62086 -0.16311 59 4XX 0.01951 -0.00617 -0.06926 0.01334 0.02962 60 4YY -0.05053 0.00077 0.01772 -0.01285 -0.02816 61 4ZZ -0.00709 0.03237 0.06618 -0.05031 0.05036 62 4XY -0.04424 0.09442 -0.09723 -0.00242 -0.09435 63 4XZ -0.02418 -0.03409 -0.00943 -0.08941 -0.05693 64 4YZ 0.02864 -0.04065 0.02052 0.04533 0.01194 65 5 C 1S 0.02793 -0.05803 0.02870 0.02441 0.02314 66 2S 0.65003 -0.87529 0.21954 0.38574 0.32797 67 2PX -0.09691 -0.05147 0.17028 -0.09478 0.04741 68 2PY -0.00136 -0.05439 -0.01487 0.07291 -0.11914 69 2PZ -0.02356 0.03749 0.00785 -0.07301 0.12454 70 3S -1.01286 2.99423 -1.75303 -1.55632 -1.29472 71 3PX 0.78958 0.20578 0.69196 0.44287 -0.12114 72 3PY 0.30578 0.68370 -0.75882 0.34311 0.04365 73 3PZ 0.36275 0.85382 -0.29049 -0.08532 -0.30009 74 4XX 0.04460 -0.04630 0.07357 0.18203 -0.00123 75 4YY 0.05042 -0.00817 -0.06024 -0.11529 0.01852 76 4ZZ -0.00645 -0.04203 0.02925 -0.02387 0.00064 77 4XY 0.01723 0.04965 0.08729 -0.09343 0.03768 78 4XZ -0.00502 0.10657 -0.00947 0.01907 0.01442 79 4YZ -0.01026 -0.01217 -0.10567 0.16365 -0.04537 80 6 C 1S -0.01792 -0.00664 -0.03113 0.03003 -0.01524 81 2S -0.38646 -0.34265 -0.30066 0.53312 -0.15524 82 2PX 0.08586 0.14843 -0.05211 -0.03486 -0.01473 83 2PY -0.05756 0.02364 0.34362 0.08896 0.05134 84 2PZ -0.00902 0.09069 0.21880 0.06992 0.01427 85 3S 1.41235 1.36121 2.65803 -2.11060 0.82055 86 3PX -1.06397 -1.79703 0.87451 -0.51478 0.82378 87 3PY 0.09837 0.46494 -1.89592 -1.04562 -0.35832 88 3PZ -0.40481 -0.74804 -0.63206 -0.93992 0.37797 89 4XX -0.04318 0.09323 -0.08787 0.02517 0.22357 90 4YY -0.00501 -0.07933 -0.07321 0.19152 0.12041 91 4ZZ 0.00988 -0.04092 0.13778 -0.16540 -0.36870 92 4XY -0.01352 0.07260 0.02958 0.06201 0.22978 93 4XZ -0.03804 -0.00506 -0.00099 0.04326 -0.09409 94 4YZ -0.01937 0.01770 0.00305 -0.09578 0.00714 95 7 C 1S 0.00831 -0.02683 -0.03144 -0.04300 0.01234 96 2S 0.31123 -0.89183 -0.37637 -0.76183 0.27692 97 2PX 0.06739 -0.08075 -0.28970 -0.16386 0.04184 98 2PY -0.04787 -0.23316 -0.15739 -0.03405 -0.04963 99 2PZ 0.11182 -0.08147 -0.23370 -0.01131 -0.00384 100 3S -0.70842 3.47646 2.37625 3.45307 -0.69661 101 3PX 0.92709 0.26796 1.14141 0.51693 -0.21571 102 3PY -1.36345 1.50607 1.55145 -0.85159 0.58444 103 3PZ -0.52240 0.70863 1.57691 -0.27674 0.28974 104 4XX -0.05697 -0.12532 0.00216 -0.00587 -0.11461 105 4YY 0.05070 0.05743 0.03117 -0.17697 -0.19650 106 4ZZ 0.02466 0.00682 -0.05465 0.15551 0.32797 107 4XY 0.01688 -0.01567 0.11241 -0.05529 -0.20250 108 4XZ 0.12124 -0.03068 -0.07089 -0.19595 0.04447 109 4YZ -0.10280 -0.00969 0.00438 0.12657 0.07123 110 8 C 1S 0.03564 -0.05648 0.03781 -0.00042 0.03217 111 2S 0.29017 -0.86884 0.45410 0.00096 0.52015 112 2PX 0.00905 0.06832 0.05051 0.04067 -0.02348 113 2PY -0.17554 -0.08503 0.03390 -0.18400 0.01052 114 2PZ -0.18498 -0.01929 0.13158 0.06569 -0.00243 115 3S -1.47614 1.33404 -2.42630 -0.31397 -1.69839 116 3PX 0.54872 0.47900 0.14280 0.48239 -0.03231 117 3PY 1.42773 -0.12261 -1.05722 0.05807 0.42727 118 3PZ 1.30014 -0.13242 -0.75161 0.39279 -0.50964 119 4XX 0.14669 -0.02324 -0.13821 -0.11157 0.16367 120 4YY -0.02986 -0.02545 0.11774 0.00692 0.00065 121 4ZZ -0.04013 -0.11490 0.08597 0.08844 -0.10305 122 4XY 0.00758 0.04380 -0.08598 0.09257 -0.03580 123 4XZ -0.10584 -0.07257 -0.02031 -0.04033 -0.03465 124 4YZ -0.05278 0.01388 0.08835 -0.11292 0.11801 125 9 C 1S -0.00427 -0.00266 0.00030 0.02674 -0.03146 126 2S 0.02449 -0.22173 -0.03468 0.49843 -0.48974 127 2PX 0.02897 -0.08747 -0.02078 0.03809 -0.00421 128 2PY 0.05182 -0.06420 -0.00807 0.02376 -0.03240 129 2PZ -0.05481 0.10813 0.01856 -0.07790 0.02052 130 3S 1.08861 0.90138 -0.17104 -1.47032 2.12764 131 3PX -0.37619 -0.20840 0.22278 0.16548 -0.04644 132 3PY 0.10221 -0.22718 0.40869 -0.39709 0.72500 133 3PZ -1.23344 -0.76885 0.50990 0.78737 -0.66821 134 4XX 0.03119 -0.03598 0.06437 0.01648 0.15394 135 4YY 0.01477 -0.02343 -0.02687 0.10248 -0.09864 136 4ZZ -0.02347 0.05398 -0.04855 -0.07064 -0.06494 137 4XY -0.03908 -0.00600 0.10033 -0.05558 0.02134 138 4XZ 0.03267 0.01589 -0.01350 0.06844 -0.02656 139 4YZ -0.01557 -0.00341 -0.05825 -0.03344 -0.01069 140 10 H 1S -0.05944 -0.13950 0.06760 0.02992 -0.07760 141 2S -0.13874 -0.15482 0.07143 0.09150 -0.02737 142 11 H 1S 0.26662 -0.04547 0.05800 0.20567 0.09607 143 2S 0.46951 -0.03615 0.05379 0.26223 0.07542 144 12 H 1S -0.27115 -0.17473 0.40723 -0.08961 0.19377 145 2S -0.54152 -0.12328 0.67850 -0.09746 0.19018 146 13 H 1S 0.30324 0.05455 -0.10777 -0.06212 -0.01260 147 2S 0.34925 0.15467 -0.13821 -0.10600 0.11581 148 14 C 1S 0.00496 0.01814 0.00155 -0.00997 -0.00062 149 2S 0.12271 0.43848 0.04741 -0.31758 0.06472 150 2PX -0.00841 0.02675 0.00086 -0.06071 0.11187 151 2PY 0.14953 -0.02669 -0.03424 0.01172 0.06055 152 2PZ 0.05495 -0.04338 0.01584 -0.07143 -0.06302 153 3S -1.39180 -2.58044 -0.29362 0.55108 0.35119 154 3PX -0.31847 -0.84833 -0.31512 0.14795 0.06584 155 3PY -0.59211 0.16862 1.42277 0.38984 0.18156 156 3PZ -0.56823 -0.49776 0.67501 0.36778 0.18415 157 4XX -0.00785 -0.07056 0.03680 -0.04009 -0.23467 158 4YY 0.02773 0.07340 -0.04173 0.00611 0.06445 159 4ZZ -0.00419 0.04099 0.01350 -0.00458 0.18307 160 4XY -0.02808 -0.03763 0.08460 0.05399 -0.07032 161 4XZ -0.04405 0.03555 -0.04158 0.03802 0.14032 162 4YZ -0.01921 0.01773 0.05491 -0.04376 -0.13014 163 15 H 1S 0.18078 0.03598 -0.27925 -0.06458 -0.05981 164 2S 0.26884 0.01463 -0.43858 -0.18623 -0.03162 165 16 H 1S -0.03505 0.04220 0.38672 0.03767 0.06519 166 2S -0.24538 0.13576 0.50257 0.10697 0.06611 167 17 C 1S -0.01052 0.02824 0.00532 0.00926 -0.00388 168 2S -0.05857 0.75824 -0.02479 0.24776 -0.12002 169 2PX 0.09325 0.06484 -0.07787 0.06127 0.02544 170 2PY -0.10201 -0.07872 0.05299 -0.01409 0.05416 171 2PZ 0.08652 0.04599 -0.00698 -0.08567 -0.05359 172 3S 1.59186 -3.31714 -1.44863 -0.63827 -0.03478 173 3PX -0.08280 -1.17424 -1.19157 -0.35846 -0.03821 174 3PY -0.62289 1.00516 0.16387 0.10202 0.01372 175 3PZ -0.30455 -0.19458 -0.71955 -0.12432 0.01157 176 4XX 0.01865 0.05523 0.00097 -0.07942 -0.12351 177 4YY -0.06001 -0.02897 -0.01412 0.12691 0.07700 178 4ZZ 0.05288 0.06289 0.00735 -0.01451 0.03194 179 4XY -0.02705 0.03590 0.07412 0.06910 0.01774 180 4XZ -0.05511 0.06097 -0.04393 0.07956 0.07305 181 4YZ 0.07859 0.07936 0.02485 -0.14142 -0.09866 182 18 H 1S -0.01860 0.21134 0.39196 0.15531 0.00460 183 2S 0.12389 0.35981 0.36102 0.16724 -0.05040 184 19 H 1S -0.11751 -0.10125 -0.19081 -0.03799 0.01404 185 2S -0.11203 -0.12626 -0.36364 -0.03183 -0.04706 121 122 123 124 125 V V V V V Eigenvalues -- 1.39651 1.41642 1.45441 1.52249 1.57963 1 1 S 1S -0.00061 -0.00252 -0.01167 0.00156 -0.00433 2 2S 0.01048 0.00118 0.01726 -0.01457 0.02123 3 2PX -0.00502 -0.00563 -0.02905 0.01198 -0.02451 4 2PY -0.01799 0.00177 -0.04117 -0.00347 -0.02537 5 2PZ -0.01788 -0.00350 -0.00187 -0.00323 -0.02774 6 3S 0.02493 -0.06375 -0.28146 0.00064 -0.06644 7 3PX 0.05618 0.03735 0.19825 -0.09322 0.16264 8 3PY 0.20344 -0.05818 0.31585 0.10372 0.16448 9 3PZ 0.07517 0.02783 -0.03239 -0.02370 0.14162 10 4S -0.01196 -0.32162 0.55879 1.44383 -0.63535 11 4PX 0.07853 0.02454 -0.28181 -0.41112 0.27530 12 4PY 0.31312 -0.30048 0.46468 0.56233 0.22844 13 4PZ 0.11222 0.24857 -0.15042 -0.23825 0.08291 14 5XX 0.03464 0.01000 0.15808 -0.08614 -0.01606 15 5YY -0.04843 -0.04458 0.01526 0.03371 -0.07025 16 5ZZ -0.02070 0.00398 -0.18351 0.09166 0.06979 17 5XY -0.09357 0.04887 0.00470 -0.01615 -0.06806 18 5XZ -0.12426 -0.00549 0.02459 -0.05970 -0.06854 19 5YZ -0.05566 -0.03988 -0.23714 0.07181 -0.06517 20 2 O 1S 0.00930 -0.01765 0.03310 0.03833 -0.00249 21 2S 0.35611 -0.34715 0.57356 0.70162 -0.01506 22 2PX -0.06554 -0.00088 -0.04837 -0.00695 0.03197 23 2PY -0.09910 0.05061 -0.06483 -0.10595 -0.01660 24 2PZ 0.06112 0.00000 0.03584 0.03556 0.01220 25 3S -0.73675 0.90746 -1.51187 -1.91707 0.08767 26 3PX 0.06776 -0.00054 0.09447 0.05350 -0.08560 27 3PY 0.22452 -0.21696 0.39715 0.46483 -0.02085 28 3PZ -0.18635 0.06957 -0.24945 -0.21994 -0.03706 29 4XX 0.06599 -0.08495 0.11916 0.14438 0.00196 30 4YY 0.11500 -0.12105 0.18557 0.23913 0.01319 31 4ZZ 0.05737 -0.06577 0.13986 0.15248 -0.03387 32 4XY 0.02096 -0.01149 0.02892 0.02127 -0.01095 33 4XZ 0.02444 -0.00252 0.01807 0.01812 -0.01590 34 4YZ -0.04933 0.03144 -0.10014 -0.06374 0.00624 35 3 O 1S -0.03205 0.01769 0.03844 -0.02353 -0.03308 36 2S -0.54165 0.29974 0.47532 -0.21956 -0.58152 37 2PX -0.06625 -0.11972 -0.31448 0.07024 -0.03756 38 2PY -0.21816 -0.03082 -0.20971 0.15142 -0.11583 39 2PZ -0.10221 0.03569 -0.07897 0.00817 -0.13132 40 3S 1.53298 -0.90191 -1.65637 0.96417 1.40976 41 3PX 0.08664 0.46465 1.18802 -0.54669 0.20999 42 3PY 0.48989 0.19200 0.70631 -0.50203 0.45165 43 3PZ 0.48431 -0.15114 0.14667 0.22240 0.48834 44 4XX -0.15967 0.08339 0.30400 -0.10660 -0.10382 45 4YY -0.12474 0.06120 0.14647 -0.04852 -0.21172 46 4ZZ -0.15378 0.09955 -0.06045 -0.05242 -0.13473 47 4XY -0.11034 0.04587 0.12020 0.02469 -0.00925 48 4XZ -0.00323 -0.01952 -0.02553 -0.00566 0.16208 49 4YZ -0.13309 -0.00144 -0.09041 0.00305 -0.22916 50 4 C 1S -0.00098 -0.00056 0.00993 -0.00276 -0.02003 51 2S -0.08435 -0.01164 0.09741 -0.11658 -0.14775 52 2PX 0.06119 0.09479 -0.04294 -0.01859 0.02508 53 2PY -0.07059 -0.03000 -0.02794 -0.06456 0.11958 54 2PZ -0.09867 -0.01543 -0.00097 -0.06764 0.03679 55 3S 1.12519 -0.11675 -0.67360 -0.14259 2.15719 56 3PX 0.43201 0.00536 -0.10654 0.27520 0.48081 57 3PY 1.73447 -0.12238 -0.06214 0.44544 1.17223 58 3PZ 0.14793 0.11668 0.30951 -0.01820 0.13061 59 4XX -0.06954 -0.30527 0.10159 0.05364 -0.01755 60 4YY 0.02938 0.16588 0.02012 -0.05225 -0.10278 61 4ZZ 0.06551 0.12476 -0.10674 0.02662 0.09776 62 4XY -0.04673 -0.25216 0.01645 0.00706 0.13810 63 4XZ -0.09597 -0.16946 0.15774 -0.10538 0.03308 64 4YZ 0.06752 0.17360 -0.08653 0.01607 -0.00435 65 5 C 1S 0.00217 -0.03403 -0.02338 0.01073 -0.02839 66 2S -0.25508 -0.42241 -0.30224 0.37428 -0.24566 67 2PX 0.11594 0.06730 0.15579 -0.08015 -0.15901 68 2PY -0.04567 0.06310 0.15201 0.18382 0.26010 69 2PZ 0.00830 0.00952 0.15495 0.12335 0.00745 70 3S -1.16840 2.51770 1.89114 0.32561 2.70526 71 3PX -0.85437 -0.29470 0.47994 -1.52251 -1.43939 72 3PY -1.53636 0.41962 -0.76459 -0.27814 0.24577 73 3PZ -1.18441 -0.30592 -1.30417 -0.26321 -0.91842 74 4XX 0.05138 0.08956 0.02480 -0.00562 0.00546 75 4YY 0.07374 -0.05100 -0.14117 0.13605 -0.03072 76 4ZZ -0.16475 -0.04747 0.12411 -0.13926 -0.00931 77 4XY -0.06854 -0.07100 -0.05951 -0.01903 -0.10998 78 4XZ 0.06004 0.04476 -0.26669 0.09667 -0.07839 79 4YZ -0.13173 0.01037 -0.02635 -0.11015 -0.08920 80 6 C 1S 0.05434 -0.00470 -0.00168 -0.00838 -0.01175 81 2S 0.79534 -0.41550 -0.10852 -0.02860 -0.09337 82 2PX -0.23161 0.03744 0.02746 0.11418 0.14538 83 2PY 0.01056 -0.17687 -0.00637 -0.23162 -0.38487 84 2PZ -0.19289 -0.03454 -0.00681 -0.08236 -0.17724 85 3S -4.27038 0.85297 0.52010 1.68377 2.48336 86 3PX 4.35008 -1.44947 0.06199 -0.96991 -1.63476 87 3PY -1.53744 1.68243 -0.04952 3.09071 5.09178 88 3PZ 1.93859 0.08134 0.38151 0.95452 1.97647 89 4XX 0.03595 -0.05942 -0.03805 0.12004 -0.02163 90 4YY 0.01981 0.06628 0.06622 -0.15891 0.10940 91 4ZZ -0.05512 -0.04706 -0.03936 0.06282 -0.05730 92 4XY -0.11050 -0.01739 0.01924 -0.04916 0.04840 93 4XZ -0.02621 0.09547 0.07490 -0.16226 0.04465 94 4YZ 0.11077 0.00053 -0.01733 0.16515 -0.14132 95 7 C 1S -0.02787 0.02819 0.02484 0.03357 0.01198 96 2S -0.61370 0.18439 0.19600 0.37449 0.19591 97 2PX 0.27517 -0.01613 0.02940 -0.24866 -0.31534 98 2PY -0.16498 0.17003 0.03958 0.06191 0.06975 99 2PZ 0.18065 0.07331 0.13173 -0.07025 -0.20793 100 3S 2.34300 -2.41067 -1.36848 -2.70465 -3.28412 101 3PX -3.37871 0.54400 -0.41892 3.56549 4.50895 102 3PY 2.64692 -1.24959 0.01994 -1.02694 -0.34852 103 3PZ -0.94126 -0.40693 -0.53191 1.56781 3.16017 104 4XX -0.01136 0.02878 0.03082 0.30410 -0.17012 105 4YY 0.03734 -0.06509 -0.04776 -0.06190 0.05511 106 4ZZ -0.03999 -0.01056 0.04222 -0.22837 0.09376 107 4XY 0.06534 -0.08942 -0.04659 0.11321 -0.05329 108 4XZ 0.04681 0.05708 -0.04848 -0.13067 0.06028 109 4YZ -0.06402 0.10844 0.09382 0.11825 -0.07055 110 8 C 1S 0.00532 -0.03482 -0.03511 0.03240 0.04258 111 2S 0.20487 -0.60406 -0.59285 0.24434 0.24692 112 2PX -0.16893 0.10108 -0.05443 0.10254 0.16213 113 2PY -0.05733 -0.03631 0.05760 -0.06761 -0.02545 114 2PZ -0.08656 0.06053 0.08378 -0.00861 0.18004 115 3S 1.72067 1.51100 1.47726 -2.77287 -2.89802 116 3PX -0.68069 -0.43035 -0.23092 0.71820 0.83938 117 3PY 0.10649 0.40873 0.14836 -0.27425 -1.20757 118 3PZ -0.26154 0.20564 0.08903 1.12505 -0.68214 119 4XX 0.03790 -0.06469 -0.03977 -0.18327 -0.01344 120 4YY 0.01830 0.02828 -0.05579 -0.01851 0.12802 121 4ZZ 0.00148 -0.02434 0.06636 0.23288 -0.06630 122 4XY -0.01821 -0.17313 -0.03949 -0.17515 0.10923 123 4XZ 0.00196 0.07194 -0.01063 0.03372 -0.03051 124 4YZ -0.01156 0.04170 0.05616 -0.04524 0.09735 125 9 C 1S -0.00328 0.01076 -0.00731 0.00196 0.01466 126 2S -0.03028 0.12867 -0.28349 -0.20411 0.25183 127 2PX 0.02191 0.13588 -0.03428 0.06185 -0.01442 128 2PY 0.05943 -0.02343 -0.02823 0.00000 0.10931 129 2PZ -0.01132 -0.01110 0.15685 0.12539 -0.06809 130 3S -1.14903 -0.48245 0.21643 -0.05590 -1.55940 131 3PX 0.35995 -0.03351 -0.17498 -0.38690 0.56458 132 3PY 0.03508 -0.23044 -0.06572 -0.02858 0.44414 133 3PZ 0.73840 -0.03966 -0.83000 -1.03760 1.68001 134 4XX 0.09984 0.23420 -0.09560 0.12024 -0.06276 135 4YY -0.02942 -0.11519 -0.03876 -0.06036 0.06789 136 4ZZ -0.09733 -0.10726 0.14415 -0.03409 -0.03937 137 4XY 0.05156 0.26633 -0.09563 0.02401 0.00855 138 4XZ 0.07914 0.22881 -0.12940 -0.05081 0.01073 139 4YZ -0.04635 -0.15052 0.09451 0.00357 -0.03453 140 10 H 1S 0.35382 -0.05018 -0.00129 0.14646 0.17098 141 2S 0.55843 -0.06653 0.01761 0.22473 0.20754 142 11 H 1S -0.30968 -0.23126 -0.35446 -0.11531 -0.27154 143 2S -0.68019 -0.24933 -0.70026 -0.28145 -0.49714 144 12 H 1S -0.00069 -0.22720 -0.20003 0.08874 0.33665 145 2S -0.04108 -0.26942 -0.22940 -0.17448 0.49774 146 13 H 1S -0.05944 0.01611 0.12398 0.27833 -0.21249 147 2S -0.22577 0.06535 0.31613 0.45659 -0.53803 148 14 C 1S -0.03157 0.01080 0.00453 -0.00004 0.00282 149 2S -0.25502 0.28765 0.15316 -0.04503 -0.06961 150 2PX 0.20863 0.03446 0.04825 -0.01116 -0.06757 151 2PY -0.08877 -0.04777 -0.01729 -0.02082 -0.06519 152 2PZ 0.08131 0.00285 -0.00929 -0.05041 -0.06061 153 3S 5.21921 -1.66365 -0.20776 -0.70510 -1.04775 154 3PX 1.59727 -0.64107 -0.15070 -0.11276 -0.02740 155 3PY 0.26866 -0.54711 0.07379 -1.01500 -1.80819 156 3PZ 1.17364 -0.73137 -0.07527 -0.61914 -1.12867 157 4XX 0.01234 0.03118 0.01413 -0.07520 -0.00076 158 4YY -0.05898 0.06428 -0.00087 -0.04630 0.13918 159 4ZZ 0.03348 -0.08301 -0.00103 0.10853 -0.15612 160 4XY 0.02051 -0.03191 -0.03866 -0.08133 0.08238 161 4XZ 0.10455 0.01075 0.00972 -0.01877 0.01810 162 4YZ 0.00233 0.06713 0.06251 -0.04711 -0.15641 163 15 H 1S -0.24093 0.14707 -0.03182 0.26019 0.44678 164 2S -0.14527 0.11457 -0.04576 0.24383 0.51990 165 16 H 1S -0.15352 -0.11911 -0.01801 -0.12360 -0.26378 166 2S 0.08942 -0.24593 0.03629 -0.37388 -0.64804 167 17 C 1S 0.02061 -0.00989 -0.00275 -0.01202 -0.00671 168 2S 0.29885 0.03077 -0.02353 -0.05074 -0.05274 169 2PX -0.05717 0.10864 0.02518 0.06358 -0.03264 170 2PY 0.02245 -0.08062 0.01134 -0.09146 -0.08931 171 2PZ 0.02068 -0.00555 -0.02647 -0.06364 -0.04665 172 3S -3.69460 1.66627 0.36704 2.28373 1.91609 173 3PX 0.23574 0.22042 0.19823 -0.65560 -0.98994 174 3PY 1.63523 -0.41454 -0.08381 -1.16148 -1.05327 175 3PZ 1.08042 -0.05686 0.18742 -0.97205 -1.34231 176 4XX 0.12231 -0.06690 -0.00560 0.07261 -0.07363 177 4YY -0.12861 0.09333 0.06733 0.14525 -0.03302 178 4ZZ 0.03529 -0.03292 -0.07089 -0.21213 0.11555 179 4XY -0.02934 -0.02522 0.01103 0.13563 -0.06900 180 4XZ 0.02224 0.09321 0.04233 -0.03878 -0.01634 181 4YZ 0.01388 0.01325 -0.03794 -0.00176 0.08880 182 18 H 1S -0.07817 -0.14256 -0.05501 0.13349 0.20538 183 2S -0.38611 -0.06694 -0.10234 0.42352 0.54243 184 19 H 1S 0.31489 -0.07763 -0.00141 -0.29217 -0.38556 185 2S 0.26553 -0.03148 0.06383 -0.33901 -0.45322 126 127 128 129 130 V V V V V Eigenvalues -- 1.59374 1.63064 1.65935 1.69269 1.71140 1 1 S 1S -0.01212 0.00810 0.01309 0.00615 -0.00276 2 2S -0.02277 0.03005 0.00196 -0.01313 0.00217 3 2PX -0.02291 0.01327 0.02719 0.02428 -0.00436 4 2PY -0.01437 -0.00590 0.02371 0.01567 -0.01576 5 2PZ 0.01672 -0.01488 -0.01115 -0.00741 -0.00068 6 3S -0.45904 0.34420 0.43532 0.15914 -0.08799 7 3PX 0.11101 -0.07319 -0.16408 -0.12195 0.02161 8 3PY 0.15903 -0.02272 -0.14774 -0.11514 0.08916 9 3PZ -0.14119 0.13613 0.09445 0.05434 -0.00199 10 4S 2.15917 -1.46919 -0.70090 -0.33224 0.43043 11 4PX -0.79822 0.57569 0.33563 0.11032 -0.17025 12 4PY 0.50249 -0.17522 -0.02910 -0.20756 0.13440 13 4PZ -0.27901 0.13480 -0.05026 0.09027 -0.09610 14 5XX -0.09778 0.08854 0.01623 0.03158 0.04988 15 5YY 0.12856 -0.11636 -0.05994 -0.00654 -0.04251 16 5ZZ 0.06971 -0.00940 -0.04689 -0.07543 0.03422 17 5XY -0.02670 -0.05597 0.03815 0.02289 -0.02545 18 5XZ -0.02616 0.01235 0.03377 -0.04658 -0.01323 19 5YZ -0.00107 0.04598 -0.00816 -0.03283 0.06223 20 2 O 1S 0.04757 -0.02872 -0.00962 -0.01026 0.00775 21 2S 0.77732 -0.44602 -0.15782 -0.26059 0.20077 22 2PX -0.02598 0.03817 0.04065 0.01393 0.00374 23 2PY -0.07448 0.03852 0.02367 0.02851 -0.04420 24 2PZ 0.01365 -0.00121 0.01447 -0.04570 0.01901 25 3S -2.24600 1.30469 0.47000 0.65268 -0.51693 26 3PX 0.12361 -0.11990 -0.10158 -0.03932 0.02020 27 3PY 0.54415 -0.33733 -0.14019 -0.14630 0.13468 28 3PZ -0.25020 0.15053 0.05159 0.13122 -0.04954 29 4XX 0.08087 -0.03351 -0.03625 0.00656 0.03196 30 4YY 0.27196 -0.14049 -0.03043 -0.10205 0.13311 31 4ZZ 0.22842 -0.15379 -0.04049 -0.06342 -0.03427 32 4XY 0.04111 -0.00081 -0.01305 0.02288 0.12076 33 4XZ 0.04200 -0.00417 0.02644 0.10680 0.05893 34 4YZ -0.06724 0.05950 0.04241 0.01342 0.02751 35 3 O 1S -0.00126 -0.01039 0.00069 0.01024 -0.00512 36 2S -0.04092 -0.18676 0.18612 0.22838 -0.06536 37 2PX 0.10087 -0.04028 -0.03303 -0.02828 0.02277 38 2PY 0.12647 -0.10441 -0.05089 0.01280 0.00466 39 2PZ -0.07469 -0.02192 0.08156 0.04049 -0.01178 40 3S -0.03739 0.34556 -0.20716 -0.45580 0.15541 41 3PX -0.42883 0.26634 0.13639 0.17774 -0.16540 42 3PY -0.63495 0.40184 0.17902 0.06937 -0.05404 43 3PZ 0.19729 0.02626 -0.07751 -0.09397 0.03523 44 4XX -0.05466 0.09827 0.12188 -0.02159 0.03242 45 4YY 0.16151 -0.17020 -0.16347 0.01715 -0.18067 46 4ZZ -0.12753 -0.06558 0.12415 0.14006 0.10834 47 4XY -0.00628 -0.14816 -0.06249 0.11024 -0.01852 48 4XZ 0.03591 0.10435 -0.10082 -0.12762 0.16628 49 4YZ 0.01542 -0.00282 0.14095 -0.00860 -0.00244 50 4 C 1S 0.02082 0.00832 0.00173 -0.01102 0.00876 51 2S 0.44454 -0.00056 -0.11380 -0.14034 -0.17515 52 2PX 0.00396 0.00192 -0.11514 0.00169 0.07634 53 2PY 0.15523 -0.07494 -0.02768 0.02841 -0.05117 54 2PZ -0.11693 0.04192 -0.02478 0.05649 0.10723 55 3S -1.61013 -1.12885 -0.10786 1.27377 -0.44352 56 3PX -0.58347 -0.19856 0.18897 0.18912 -0.22972 57 3PY -2.33921 -0.44275 0.50878 0.83555 -0.50556 58 3PZ -0.32324 0.11360 -0.03252 -0.17799 -0.02410 59 4XX -0.12425 0.00698 0.03629 -0.00619 -0.16702 60 4YY -0.03892 0.04659 -0.17898 -0.04161 0.04566 61 4ZZ 0.14946 -0.05282 0.13815 0.06417 0.13299 62 4XY -0.01011 -0.04774 0.28298 0.15443 -0.17235 63 4XZ -0.10131 0.07274 -0.16736 -0.06850 0.18218 64 4YZ -0.01965 -0.01113 -0.00408 -0.08251 -0.19595 65 5 C 1S 0.03091 -0.00995 -0.00203 -0.01854 0.00652 66 2S 0.39877 -0.22038 0.04760 -0.08318 0.09721 67 2PX -0.00809 0.00081 -0.00489 -0.04908 -0.11059 68 2PY -0.11422 -0.11488 0.06519 0.14130 0.13855 69 2PZ 0.08076 -0.00159 0.07192 -0.03684 -0.12489 70 3S -1.16866 0.59741 -0.43992 0.16009 -0.11958 71 3PX 0.00008 0.70118 0.03107 -0.35892 0.18643 72 3PY 0.83384 0.15091 -0.83163 -0.44001 -0.16658 73 3PZ 0.41791 0.33830 -0.78473 -0.76765 0.42155 74 4XX 0.05165 -0.15561 0.04024 0.22775 -0.14237 75 4YY -0.20736 0.11344 0.09935 -0.20724 -0.16409 76 4ZZ 0.17625 0.05467 -0.13522 -0.05062 0.30521 77 4XY -0.11770 0.05720 0.16941 0.06554 0.08440 78 4XZ 0.08090 -0.07079 0.16353 0.14144 0.11705 79 4YZ 0.16696 -0.04774 -0.19628 -0.01811 -0.06493 80 6 C 1S 0.00699 -0.00537 0.00534 0.00665 0.00608 81 2S 0.12505 0.00917 0.05541 -0.11387 0.21421 82 2PX -0.00500 0.05091 -0.13200 -0.17824 0.06635 83 2PY 0.14738 0.00629 0.00414 -0.16506 -0.20630 84 2PZ -0.03909 0.08727 -0.07961 -0.16437 -0.08089 85 3S -1.25506 0.13448 -1.27128 -0.75758 -0.84960 86 3PX 0.01563 -0.42045 1.37128 1.55248 -0.03891 87 3PY -1.07231 -0.61613 -0.89099 0.69737 -0.07089 88 3PZ -0.10087 -0.62707 0.55811 1.09310 -0.07063 89 4XX -0.16754 -0.03705 -0.01055 0.05841 -0.10717 90 4YY 0.15733 0.13380 -0.05635 -0.04294 -0.07105 91 4ZZ 0.00489 -0.10293 0.07472 -0.03466 0.15084 92 4XY 0.03767 0.01773 0.07479 0.23316 0.18701 93 4XZ 0.16151 0.03015 0.05426 0.03832 0.04323 94 4YZ -0.15900 -0.04899 -0.11233 0.01192 0.19849 95 7 C 1S 0.02195 -0.02094 0.00158 0.00238 0.00768 96 2S 0.17813 -0.16946 -0.09705 -0.02977 0.07610 97 2PX 0.05110 0.04828 0.03138 0.10188 0.21594 98 2PY 0.04596 -0.10049 0.15332 0.15413 0.02027 99 2PZ 0.06002 -0.02485 0.09237 0.10210 0.19803 100 3S -0.28090 1.68065 -0.26188 -1.17051 0.09513 101 3PX -0.85991 -0.35439 -0.64341 -0.28740 -0.80342 102 3PY -0.58163 0.54425 -0.70397 -0.29386 -0.11731 103 3PZ -0.76352 -0.26153 -1.03518 -0.08397 -0.82590 104 4XX -0.03896 0.21585 -0.02307 -0.17764 -0.04018 105 4YY 0.09592 -0.08850 0.00590 0.11819 0.00403 106 4ZZ -0.01253 -0.14890 0.01862 0.03366 0.02950 107 4XY 0.05825 0.02957 -0.05635 0.06630 0.19361 108 4XZ -0.00196 -0.01271 -0.10926 0.01075 -0.01246 109 4YZ -0.08330 0.08442 0.02185 0.06481 0.21838 110 8 C 1S 0.01222 -0.00690 -0.02295 -0.00082 0.00724 111 2S 0.05571 -0.07407 -0.03671 0.17871 0.06594 112 2PX -0.05581 0.05658 -0.09384 -0.09979 -0.11345 113 2PY 0.10903 0.01439 -0.05113 0.02579 0.15328 114 2PZ -0.04064 -0.06778 -0.13574 -0.11922 -0.09892 115 3S -0.60794 0.29491 0.90998 0.46969 -0.19659 116 3PX -0.44775 0.20040 0.05483 0.02243 -0.05511 117 3PY 0.50842 -0.05206 0.90829 0.20663 0.29347 118 3PZ 0.31094 0.14962 0.58194 0.15402 0.16505 119 4XX -0.00541 0.03812 -0.13011 0.01861 -0.15490 120 4YY 0.00325 -0.12793 0.00210 0.20898 0.15581 121 4ZZ 0.01743 0.07430 0.09906 -0.22650 -0.00619 122 4XY -0.14830 0.07749 -0.15822 -0.00872 0.03324 123 4XZ -0.06724 0.06716 0.03485 -0.11808 -0.07231 124 4YZ 0.05871 -0.10648 -0.07401 0.13112 -0.04811 125 9 C 1S -0.02088 -0.00892 -0.00340 0.00922 -0.01153 126 2S -0.16808 -0.21903 -0.19281 0.21134 -0.37021 127 2PX -0.07327 0.04961 -0.03596 -0.03417 0.00643 128 2PY -0.05723 -0.03859 0.05375 0.04451 -0.17459 129 2PZ -0.10269 0.08166 0.07431 -0.04195 0.00633 130 3S 2.48084 0.66539 0.20377 -0.89139 1.13600 131 3PX -0.29774 -0.37546 -0.08211 0.37618 -0.17398 132 3PY 0.00888 -0.13033 -0.11131 0.00051 0.42126 133 3PZ -1.31012 -0.85894 -0.72241 0.93222 -0.64349 134 4XX 0.06497 0.03680 -0.08948 -0.16582 -0.04030 135 4YY -0.04662 0.02805 -0.01672 0.04466 0.17057 136 4ZZ -0.02095 -0.05310 0.09610 0.10732 -0.10768 137 4XY 0.20007 -0.17833 0.15860 0.06434 -0.06534 138 4XZ -0.08149 0.13558 -0.27146 -0.08213 0.10482 139 4YZ 0.00052 0.03902 0.06765 -0.12145 -0.15573 140 10 H 1S -0.35675 -0.03803 0.21079 0.06718 -0.09283 141 2S -0.75861 -0.06221 0.19702 0.20010 -0.20143 142 11 H 1S 0.25706 0.01928 -0.18824 -0.18959 0.03585 143 2S 0.40187 0.14730 -0.40349 -0.37847 0.08833 144 12 H 1S 0.05026 -0.04472 -0.22702 -0.10395 0.00906 145 2S -0.11530 -0.00197 -0.44282 -0.14931 -0.09704 146 13 H 1S 0.16032 0.11159 0.21613 -0.18944 0.07888 147 2S 0.25015 0.29692 0.22594 -0.32293 0.14037 148 14 C 1S -0.00280 0.00381 -0.00658 -0.00906 -0.00141 149 2S -0.05259 0.03592 -0.05741 -0.02202 -0.01620 150 2PX -0.02281 -0.01376 0.03094 0.07328 -0.01274 151 2PY -0.02648 0.03079 -0.01330 0.03870 0.14490 152 2PZ 0.04582 0.00774 0.02916 0.02826 0.07863 153 3S 0.43420 -0.57466 1.51429 1.58894 0.18971 154 3PX 0.15924 -0.21051 0.52577 0.53194 0.12136 155 3PY 0.44764 0.18270 0.27183 -0.36701 -0.14306 156 3PZ 0.16338 -0.02089 0.44697 0.26690 -0.00804 157 4XX 0.07251 -0.07873 0.05002 -0.03009 0.02284 158 4YY 0.20892 0.40910 0.19037 -0.10336 0.06824 159 4ZZ -0.28865 -0.30912 -0.25822 0.10885 -0.07364 160 4XY 0.20126 0.19023 0.18026 -0.12672 -0.13550 161 4XZ 0.06080 0.15664 0.11251 0.04024 -0.04711 162 4YZ -0.12239 -0.22691 -0.19192 -0.06446 -0.08815 163 15 H 1S -0.07682 -0.05533 -0.07747 -0.03191 -0.17855 164 2S -0.14804 0.00017 -0.09553 0.09011 0.15200 165 16 H 1S 0.06275 0.03141 0.04599 0.00613 0.12196 166 2S 0.11894 0.06592 0.12593 -0.11229 -0.09616 167 17 C 1S -0.00372 0.00582 -0.00403 -0.00481 0.00004 168 2S -0.02046 0.05162 -0.09000 -0.06526 0.03150 169 2PX 0.01103 -0.00403 0.04379 -0.05362 -0.06341 170 2PY -0.02880 0.03529 0.03416 -0.01167 -0.03541 171 2PZ 0.03324 -0.02467 0.02061 -0.01108 -0.10388 172 3S 0.40230 -0.93869 0.64494 0.51722 -0.08302 173 3PX 0.41940 -0.07079 0.33486 0.24660 0.33807 174 3PY -0.07306 0.39681 -0.15548 -0.09773 0.13430 175 3PZ 0.18226 0.28033 0.22031 0.00658 0.41815 176 4XX 0.14714 0.30506 -0.29252 0.44707 -0.10386 177 4YY -0.06482 0.13503 0.04901 0.04667 -0.03577 178 4ZZ -0.10069 -0.42203 0.21994 -0.51082 0.15495 179 4XY 0.01769 0.25421 -0.12498 0.15695 -0.15468 180 4XZ -0.15538 -0.00154 0.08181 -0.14996 0.13382 181 4YZ 0.08217 -0.02690 -0.08865 0.06496 -0.17022 182 18 H 1S -0.03565 -0.03726 -0.07117 0.01525 0.04218 183 2S -0.12829 -0.07406 -0.11340 -0.08832 -0.22260 184 19 H 1S 0.10509 0.03804 0.09591 -0.05875 -0.06883 185 2S 0.10129 0.05959 0.02214 0.04165 0.20855 131 132 133 134 135 V V V V V Eigenvalues -- 1.74271 1.75543 1.76596 1.81963 1.83516 1 1 S 1S 0.00497 -0.01454 0.01504 -0.00385 -0.00225 2 2S 0.02210 -0.00771 0.01957 -0.02494 0.00414 3 2PX 0.00563 -0.03948 0.02576 -0.00199 -0.00595 4 2PY -0.01127 -0.01561 0.01788 0.00779 -0.00912 5 2PZ -0.01420 0.02953 -0.02610 0.00868 -0.00756 6 3S 0.22896 -0.49781 0.54979 -0.19755 -0.06324 7 3PX -0.03249 0.20393 -0.16364 0.02141 0.02969 8 3PY 0.05287 0.11738 -0.09220 -0.02780 0.03978 9 3PZ 0.10877 -0.15147 0.17581 -0.07748 0.03554 10 4S -0.49459 0.99113 -1.30480 0.97892 0.09489 11 4PX 0.26072 -0.41635 0.58891 -0.41872 -0.02603 12 4PY 0.13203 0.11979 -0.14694 0.07106 -0.00358 13 4PZ -0.01143 -0.14598 0.14659 -0.10153 0.00687 14 5XX 0.07598 -0.09513 -0.09512 -0.05911 -0.07223 15 5YY -0.10849 0.15723 -0.03732 0.05911 -0.00415 16 5ZZ 0.00890 0.03853 0.03000 0.01858 0.10045 17 5XY -0.01745 -0.00505 -0.07574 0.07045 -0.00143 18 5XZ 0.01719 0.06702 -0.11411 -0.02290 -0.01872 19 5YZ 0.01565 0.03152 0.02219 0.03278 0.02341 20 2 O 1S -0.00375 0.02234 -0.02483 0.01419 0.00238 21 2S 0.01988 0.25964 -0.30308 0.23883 0.02116 22 2PX 0.02731 -0.02484 -0.01857 -0.01421 0.01417 23 2PY -0.00682 0.00294 -0.00340 -0.02432 0.00812 24 2PZ 0.04970 -0.01979 -0.03689 0.00685 0.02148 25 3S 0.04800 -0.85535 0.99986 -0.70880 -0.07032 26 3PX -0.06586 0.09429 -0.04484 0.07250 -0.01863 27 3PY -0.04686 0.19706 -0.21031 0.17890 0.00286 28 3PZ -0.05221 -0.06608 0.13744 -0.06811 -0.04253 29 4XX 0.05028 0.03207 0.19459 0.48678 0.59437 30 4YY 0.06662 0.12537 -0.31904 0.01658 -0.07166 31 4ZZ -0.11367 0.05736 -0.12868 -0.34288 -0.49894 32 4XY 0.03982 0.08149 -0.20894 0.15364 0.16010 33 4XZ -0.05493 -0.01504 -0.10405 0.09482 0.15032 34 4YZ 0.02187 -0.03405 -0.17545 -0.23633 -0.25745 35 3 O 1S -0.02157 0.02567 -0.02544 0.00094 0.01067 36 2S -0.34820 0.02913 -0.40412 0.28315 -0.09542 37 2PX 0.01280 0.14878 -0.02298 -0.03239 0.07887 38 2PY -0.06166 -0.02674 -0.07437 0.02336 0.03936 39 2PZ -0.00289 -0.13362 0.02708 0.11284 -0.09279 40 3S 0.89752 -0.48668 1.15541 -0.46233 -0.13827 41 3PX -0.06628 -0.14891 -0.01969 -0.21191 -0.00559 42 3PY 0.17397 -0.02148 0.21287 -0.27311 -0.00374 43 3PZ 0.11067 0.21095 0.13084 -0.24798 0.06305 44 4XX 0.07761 0.07436 -0.27012 0.15607 0.03855 45 4YY -0.33345 -0.06194 0.30258 0.05054 -0.17400 46 4ZZ 0.01019 0.11317 -0.28243 -0.07583 0.12719 47 4XY -0.10199 -0.10673 -0.12939 -0.05793 0.14947 48 4XZ 0.29462 -0.20273 -0.09413 0.08756 0.04459 49 4YZ -0.07207 0.31557 -0.17847 0.11962 -0.04986 50 4 C 1S 0.01334 0.00067 0.01870 -0.01438 0.00632 51 2S 0.11298 0.22200 0.35900 -0.13667 0.12036 52 2PX -0.02030 -0.03744 -0.06585 0.03667 -0.01748 53 2PY -0.01862 0.11663 0.08791 0.05575 -0.04160 54 2PZ -0.01465 -0.06992 -0.05945 0.17264 -0.13578 55 3S -1.38962 0.58918 -1.57485 1.14176 -0.69972 56 3PX -0.05397 0.20108 -0.18726 0.15367 -0.05643 57 3PY -0.92638 0.41810 -1.54082 0.87215 -0.45847 58 3PZ 0.28335 0.12359 -0.02132 -0.32463 0.50060 59 4XX -0.18646 0.08167 0.01451 -0.03469 0.07405 60 4YY -0.06561 -0.02855 -0.06746 -0.03460 0.05658 61 4ZZ 0.22017 -0.03839 0.04994 0.10816 -0.16765 62 4XY 0.12334 0.00291 0.12584 0.00537 0.00212 63 4XZ -0.10571 -0.05670 0.04614 -0.12700 0.04471 64 4YZ -0.08603 0.17819 -0.17745 0.02485 0.08495 65 5 C 1S -0.00166 -0.00892 0.00999 0.02502 -0.02363 66 2S -0.08257 0.06894 0.01967 0.18015 -0.16926 67 2PX -0.03255 -0.02646 0.02281 0.08336 -0.12085 68 2PY 0.03083 0.02059 -0.08523 -0.02929 -0.01969 69 2PZ -0.06817 0.16015 0.00165 -0.07150 0.05784 70 3S 0.42013 0.13805 0.12866 -1.09020 0.86173 71 3PX 0.12985 -0.25511 -0.17166 -0.02086 0.42948 72 3PY -0.08239 -0.35772 0.18917 0.22021 0.08862 73 3PZ 0.56495 -1.02576 0.08737 0.30427 0.43071 74 4XX -0.13274 0.14200 0.13310 -0.21744 0.08357 75 4YY -0.03563 0.07633 -0.13406 0.30123 -0.11290 76 4ZZ 0.18582 -0.23095 0.01219 -0.09076 0.03262 77 4XY 0.03987 0.18183 -0.14257 -0.13512 0.17629 78 4XZ 0.02004 -0.00160 0.23033 -0.02936 -0.10541 79 4YZ -0.04508 -0.10185 0.03445 -0.06496 0.14527 80 6 C 1S 0.00300 -0.00588 -0.00840 0.00359 0.00041 81 2S 0.30227 -0.05721 -0.33779 -0.11670 0.11513 82 2PX 0.05065 0.04831 -0.13880 0.00423 0.03147 83 2PY 0.05131 -0.13738 -0.03108 0.08665 0.01447 84 2PZ 0.03172 -0.08234 -0.13824 0.02990 0.01408 85 3S -1.18357 1.35345 0.12821 0.25616 -0.70446 86 3PX -0.06402 0.41405 0.69286 -1.02486 -0.36252 87 3PY -0.67718 0.94537 0.23721 -0.54819 -0.35103 88 3PZ -0.05067 1.64835 1.00706 -0.84533 -0.69410 89 4XX -0.03127 -0.27149 -0.14519 0.02995 0.04269 90 4YY -0.01466 0.16526 0.07658 -0.02041 -0.04819 91 4ZZ 0.07324 0.09487 0.04139 -0.01265 -0.00745 92 4XY 0.01629 0.09129 -0.05163 -0.26148 0.15248 93 4XZ 0.03310 0.13037 0.05642 -0.00132 0.06596 94 4YZ -0.28086 0.00823 0.10175 0.08339 -0.01158 95 7 C 1S -0.00167 0.01701 -0.01071 -0.00183 -0.00622 96 2S 0.03297 0.09678 -0.30215 0.28057 -0.23659 97 2PX 0.00704 -0.00146 -0.04821 0.07253 -0.04379 98 2PY -0.03357 -0.01913 0.13473 -0.01864 0.07583 99 2PZ 0.01128 0.00169 0.04256 -0.05634 -0.03408 100 3S 0.38461 -1.21047 0.22020 -0.30871 0.95082 101 3PX -0.50473 0.65577 1.00263 -0.01013 -0.26247 102 3PY -0.04192 1.47064 -0.13787 -0.85725 -0.69339 103 3PZ -0.85586 0.94548 -0.00473 -0.53202 -0.06534 104 4XX 0.01059 -0.10350 0.13913 -0.05512 0.04936 105 4YY -0.09935 -0.08301 -0.14379 0.00198 0.04362 106 4ZZ 0.11952 0.17520 -0.04608 0.04268 -0.11843 107 4XY -0.19666 0.02445 -0.03853 0.03185 -0.03580 108 4XZ -0.12313 0.08635 0.12719 -0.06653 0.15596 109 4YZ -0.07993 0.13703 0.18167 0.01445 -0.00622 110 8 C 1S -0.00172 -0.00305 0.02144 -0.00035 0.01432 111 2S -0.05053 0.15168 0.21221 -0.13770 0.13131 112 2PX 0.01500 -0.02497 0.08313 -0.00938 0.02071 113 2PY 0.02165 -0.04476 0.01997 0.01176 -0.14737 114 2PZ -0.08736 0.04823 -0.08992 0.06829 0.03988 115 3S 0.04277 -0.26609 -1.49393 0.48473 -0.67349 116 3PX -0.16710 -0.07541 0.50456 -0.26035 0.03742 117 3PY 0.67532 -0.94072 0.35260 -0.06716 0.50820 118 3PZ 0.21317 -0.38607 0.37444 0.13523 -0.14507 119 4XX 0.11768 0.17181 0.07260 0.05339 0.04364 120 4YY -0.11807 -0.11931 0.02730 0.25367 -0.12453 121 4ZZ 0.00044 -0.05519 -0.12579 -0.27045 0.08746 122 4XY -0.00190 0.12066 -0.11331 0.14736 -0.15267 123 4XZ -0.01026 -0.13789 0.06204 -0.16087 0.06544 124 4YZ -0.03563 0.04913 -0.02035 0.16691 -0.12351 125 9 C 1S -0.02140 0.00931 -0.01543 0.01736 -0.00335 126 2S -0.27224 0.08684 -0.24505 0.08031 0.10768 127 2PX 0.00043 0.06524 -0.04138 0.03977 -0.04542 128 2PY -0.02240 0.06921 -0.06450 0.00756 0.01280 129 2PZ -0.01216 0.00811 -0.00581 0.05286 -0.07284 130 3S 1.46174 -0.95242 2.00693 -0.99522 0.48130 131 3PX -0.25035 0.03447 -0.47124 0.40481 0.02580 132 3PY 0.27117 -0.05979 0.25772 -0.08993 0.21760 133 3PZ -1.15884 0.61652 -1.34140 1.06533 -0.25235 134 4XX 0.07315 0.14861 -0.04846 -0.10544 0.09734 135 4YY -0.03938 -0.06442 0.07257 -0.04469 -0.04907 136 4ZZ -0.02442 -0.09864 0.01182 0.16111 -0.07762 137 4XY 0.12101 -0.21495 -0.11451 -0.00311 0.12104 138 4XZ -0.07025 0.11606 -0.08346 -0.03809 -0.00476 139 4YZ 0.00609 0.13656 0.03712 -0.20437 0.15336 140 10 H 1S -0.08356 0.11347 -0.20734 0.12771 -0.07633 141 2S -0.26445 0.10912 -0.43304 0.27277 -0.14926 142 11 H 1S 0.00798 -0.17745 0.02087 0.20522 -0.08371 143 2S 0.07186 -0.35684 0.05569 0.21855 0.13658 144 12 H 1S -0.05362 0.22110 0.04038 -0.10786 0.14157 145 2S -0.20207 0.33828 -0.06260 -0.05588 -0.06413 146 13 H 1S 0.19409 -0.03431 0.16152 -0.30294 0.10693 147 2S 0.30708 -0.14993 0.36483 -0.32413 0.03823 148 14 C 1S 0.00276 -0.00232 -0.00916 0.00159 -0.00002 149 2S -0.06988 0.09083 0.01752 -0.05807 -0.04200 150 2PX -0.04026 0.03908 0.05004 -0.08943 -0.04944 151 2PY -0.03285 0.00981 -0.00816 -0.04547 0.06567 152 2PZ 0.02529 0.10775 0.07429 -0.05426 -0.00729 153 3S 0.31578 0.39567 0.81307 -0.89934 -0.24650 154 3PX 0.29171 0.27347 0.30708 -0.39313 -0.07989 155 3PY 0.14071 -0.31613 -0.12142 0.23236 0.22009 156 3PZ 0.07067 -0.32261 -0.04281 -0.21316 0.16555 157 4XX 0.21022 0.29204 0.11167 -0.00407 -0.03031 158 4YY -0.41043 -0.07357 -0.04433 0.10879 -0.00480 159 4ZZ 0.20242 -0.20410 -0.07077 -0.11091 0.01665 160 4XY -0.04591 -0.00650 -0.01575 0.09739 -0.10906 161 4XZ -0.24949 -0.22167 -0.08176 0.06583 0.01866 162 4YZ 0.20548 0.13392 0.09086 0.11920 -0.10089 163 15 H 1S 0.06574 -0.03402 -0.03450 0.03175 -0.12663 164 2S 0.00015 0.17154 0.05946 -0.15118 -0.00904 165 16 H 1S 0.02468 0.00769 -0.02995 -0.11117 0.15973 166 2S 0.07237 -0.16255 -0.08111 0.04570 0.06451 167 17 C 1S 0.00445 0.00110 -0.00781 -0.00302 -0.00434 168 2S -0.03410 0.00863 -0.04668 0.03284 -0.03124 169 2PX 0.07356 -0.06335 0.01419 0.02186 0.00011 170 2PY 0.06435 -0.00690 0.00064 -0.05040 0.01843 171 2PZ 0.04069 -0.07736 -0.03630 -0.03004 0.04676 172 3S -0.08792 -0.58475 0.45905 0.67932 0.22466 173 3PX 0.18077 -0.49150 -0.24459 0.22911 0.17413 174 3PY 0.02337 0.10654 -0.16563 -0.35304 0.12102 175 3PZ 0.32279 -0.16148 -0.04383 0.02052 -0.00041 176 4XX 0.00034 0.08679 -0.11676 -0.06832 -0.00652 177 4YY 0.19904 0.03135 0.13109 0.10555 -0.09406 178 4ZZ -0.20212 -0.09304 -0.01373 -0.05107 0.08338 179 4XY 0.20240 0.01771 0.03031 0.02570 -0.06426 180 4XZ -0.03570 0.11262 0.22158 -0.03514 0.03346 181 4YZ -0.05203 -0.10080 -0.10887 -0.15645 0.18352 182 18 H 1S -0.11770 0.12971 -0.03236 0.06231 -0.12999 183 2S -0.07029 0.08181 0.03785 -0.00260 -0.06112 184 19 H 1S 0.20069 -0.20315 -0.11246 0.01400 0.02997 185 2S 0.03580 -0.09420 -0.10209 0.11550 -0.03040 136 137 138 139 140 V V V V V Eigenvalues -- 1.84541 1.85160 1.87043 1.90939 1.92180 1 1 S 1S -0.00847 0.01178 0.00159 -0.00236 -0.00247 2 2S -0.03083 0.02744 0.01502 -0.04158 0.03805 3 2PX -0.00919 0.01753 0.01341 0.01197 -0.01896 4 2PY -0.01206 0.01154 0.01309 -0.00246 0.00566 5 2PZ 0.01767 -0.01048 0.01157 -0.00153 0.04144 6 3S -0.35059 0.45791 0.08235 -0.19527 0.00059 7 3PX 0.09136 -0.12037 -0.05723 -0.02727 0.08019 8 3PY 0.09107 -0.07997 -0.08234 0.02222 -0.05127 9 3PZ -0.12891 0.08632 -0.04452 -0.07398 -0.17694 10 4S 0.79484 -1.29957 -0.61002 0.90014 -0.85896 11 4PX -0.36574 0.56714 0.21491 -0.40034 0.35321 12 4PY 0.05610 -0.17063 -0.18913 0.11888 -0.15339 13 4PZ 0.01539 -0.04018 -0.02869 -0.00462 -0.10074 14 5XX 0.01972 0.00266 0.08627 -0.00289 0.06498 15 5YY -0.00707 -0.04764 0.02298 0.02177 0.04859 16 5ZZ -0.02135 -0.00011 -0.08828 -0.03661 -0.00857 17 5XY -0.00922 -0.09036 0.01219 0.03194 0.02344 18 5XZ -0.05288 -0.07121 0.08967 -0.03366 0.13054 19 5YZ 0.01231 -0.00372 -0.07466 0.03671 0.01033 20 2 O 1S 0.00889 -0.01656 -0.00989 0.00874 -0.00839 21 2S 0.16936 -0.26822 -0.19168 0.21902 -0.17176 22 2PX -0.01880 0.00539 -0.00859 -0.03450 0.01747 23 2PY -0.01680 0.01972 0.03048 -0.01031 0.02109 24 2PZ -0.00105 0.00333 -0.01832 0.01812 -0.02085 25 3S -0.50460 0.83841 0.54349 -0.61646 0.51369 26 3PX 0.07240 -0.06796 -0.01000 0.09908 -0.06740 27 3PY 0.11997 -0.19141 -0.12008 0.12320 -0.10967 28 3PZ -0.05294 0.08867 0.07893 -0.08922 0.09435 29 4XX 0.07253 -0.17983 0.00088 0.01024 -0.05643 30 4YY -0.01279 -0.07304 -0.10821 0.12903 -0.11533 31 4ZZ 0.04571 0.07396 -0.02125 -0.02563 0.07298 32 4XY 0.18483 0.30369 -0.10013 -0.00800 0.16169 33 4XZ 0.17850 0.79844 0.06908 0.01898 0.07817 34 4YZ -0.08802 0.11100 -0.01495 0.04762 -0.03022 35 3 O 1S 0.00929 -0.01887 -0.01068 -0.00030 -0.01015 36 2S 0.26560 -0.09634 -0.20535 0.28873 -0.04016 37 2PX -0.07324 0.02571 0.05116 -0.02664 -0.07863 38 2PY 0.02231 0.00171 0.01869 0.04057 0.03104 39 2PZ -0.03171 0.01343 0.04126 0.14380 0.01437 40 3S -0.56664 0.31748 0.60719 -0.27187 0.36609 41 3PX 0.17097 0.07435 -0.17044 -0.17493 -0.02156 42 3PY -0.10894 0.13802 -0.05606 -0.28751 -0.07217 43 3PZ 0.10718 0.00183 -0.01279 -0.26876 0.01468 44 4XX -0.13074 -0.03246 0.09083 0.23034 -0.28599 45 4YY 0.07610 0.04500 0.09431 0.02139 0.03071 46 4ZZ 0.19913 -0.16230 -0.32258 -0.14974 0.22070 47 4XY 0.15690 -0.13607 -0.03471 -0.00890 0.08433 48 4XZ -0.19783 -0.00254 0.17104 0.07752 0.07977 49 4YZ 0.03829 -0.03266 -0.19777 0.09924 -0.23753 50 4 C 1S 0.00280 0.00666 0.00253 0.00286 0.00770 51 2S 0.01218 0.16135 0.12154 -0.20417 0.04945 52 2PX 0.03572 -0.05737 0.01405 -0.02907 0.01680 53 2PY 0.02901 0.00452 -0.08806 -0.01614 0.05815 54 2PZ 0.03737 -0.05386 0.05479 0.05862 -0.03856 55 3S 0.89116 -1.21805 -0.32952 0.78625 -0.13120 56 3PX 0.07454 -0.03807 0.02354 0.21000 -0.02134 57 3PY 0.18385 -0.88461 -0.43454 0.49368 -0.00003 58 3PZ -0.11149 0.19108 -0.01958 -0.35491 0.11424 59 4XX -0.13400 0.01625 -0.09202 -0.05166 0.06471 60 4YY 0.04165 0.00657 0.29074 -0.20461 -0.18818 61 4ZZ 0.11074 -0.03379 -0.19370 0.27500 0.08340 62 4XY -0.04227 0.07620 0.13937 0.15288 -0.19012 63 4XZ 0.01680 -0.04545 -0.32564 -0.25817 0.19143 64 4YZ -0.13609 -0.01961 -0.02701 -0.02074 0.13556 65 5 C 1S 0.00325 -0.01912 -0.02993 0.03195 0.00886 66 2S -0.15016 -0.32532 0.27132 0.32867 0.18339 67 2PX 0.05680 0.01849 -0.03412 0.09510 0.01966 68 2PY 0.01847 -0.11431 0.01388 0.00390 0.04964 69 2PZ -0.00572 -0.00288 0.18533 -0.05640 -0.08895 70 3S -0.31426 1.49806 0.06975 -2.08385 -0.84118 71 3PX -0.59358 0.05210 -0.34709 -0.21103 0.15614 72 3PY -0.62794 0.56523 0.16780 -0.44649 -0.14806 73 3PZ -1.11306 0.38414 0.18065 -0.00503 0.29638 74 4XX 0.17495 0.01273 0.04497 -0.01264 -0.11595 75 4YY -0.23037 0.04659 -0.09679 -0.07213 0.08890 76 4ZZ 0.06133 -0.02854 -0.02049 0.03703 0.02064 77 4XY -0.01261 -0.05114 0.06669 -0.15611 -0.11593 78 4XZ 0.21505 -0.00737 0.02139 0.01659 0.10975 79 4YZ -0.09167 0.11437 0.04134 -0.11245 -0.08499 80 6 C 1S -0.00743 -0.00490 -0.00039 -0.02016 -0.01621 81 2S 0.13856 -0.23386 0.03117 -0.28321 -0.40203 82 2PX -0.00677 -0.02400 0.03600 -0.07674 -0.08198 83 2PY 0.04770 -0.01233 -0.04353 0.15454 0.06842 84 2PZ 0.02283 -0.04052 -0.05587 -0.00615 0.06601 85 3S 1.07572 0.39386 -0.09600 1.98170 1.16176 86 3PX 2.74225 -0.79443 0.35565 1.84609 0.40827 87 3PY 0.69125 0.61790 0.47432 -0.17395 -0.42105 88 3PZ 2.36415 -0.03615 0.52297 0.85128 0.00043 89 4XX 0.01635 -0.01495 0.04070 -0.02411 0.18209 90 4YY -0.17898 0.14085 -0.23730 0.10266 -0.28940 91 4ZZ 0.19154 -0.12265 0.17497 -0.11678 0.08232 92 4XY -0.02352 -0.04682 0.12092 0.02233 -0.09831 93 4XZ -0.24575 0.05819 -0.03218 0.12298 0.13681 94 4YZ -0.13444 -0.06356 -0.03402 0.06870 0.07632 95 7 C 1S 0.02234 -0.00739 -0.00324 -0.00741 -0.01313 96 2S 0.42392 -0.15070 0.10773 -0.17236 -0.14015 97 2PX 0.05395 -0.13677 0.13884 0.00059 0.02619 98 2PY -0.19920 -0.04384 -0.08130 -0.10487 -0.07788 99 2PZ -0.09270 -0.00523 0.02599 -0.04352 -0.02859 100 3S -2.09309 0.60922 -0.30961 0.19944 0.29545 101 3PX -0.77337 1.26397 -0.65521 -0.57683 -0.68593 102 3PY 3.66098 -0.38079 0.94290 2.78402 1.25455 103 3PZ 1.38662 0.36298 0.05524 1.52734 0.07319 104 4XX 0.19193 0.04306 -0.06862 -0.00125 -0.25020 105 4YY -0.04754 -0.05868 0.13790 0.18550 0.18565 106 4ZZ -0.12596 0.06259 -0.08382 -0.22291 0.02356 107 4XY -0.13031 0.06874 0.08895 -0.16786 -0.18117 108 4XZ -0.04090 -0.02660 -0.21541 0.18467 -0.11428 109 4YZ -0.12870 0.01630 0.07788 0.14987 0.13731 110 8 C 1S 0.00565 0.01441 -0.04035 0.01844 -0.03519 111 2S -0.21937 0.03844 0.11494 -0.02846 -0.18400 112 2PX -0.00507 -0.00347 -0.16838 0.01809 -0.14887 113 2PY 0.08268 -0.05604 -0.13382 0.11838 0.03471 114 2PZ 0.07642 -0.00553 0.03361 0.10951 0.01397 115 3S 1.03490 -1.25782 1.02119 0.13893 1.40466 116 3PX -0.70004 0.77719 0.11639 -0.28582 0.05949 117 3PY -0.96462 0.31672 0.14559 -1.07655 -0.37087 118 3PZ -0.75444 0.08889 -0.20258 -0.51184 -0.59180 119 4XX 0.24040 -0.08667 -0.01132 -0.01615 0.11860 120 4YY -0.05334 0.03992 -0.15775 -0.12787 -0.20508 121 4ZZ -0.15199 0.08058 0.17696 0.17804 0.10537 122 4XY 0.22752 -0.03644 0.15525 0.35326 0.00254 123 4XZ 0.07707 -0.03333 -0.08786 0.33021 -0.17080 124 4YZ -0.00028 -0.13633 0.18457 -0.06895 0.17362 125 9 C 1S -0.00515 -0.00704 -0.00633 0.00304 0.00258 126 2S 0.00429 -0.24707 0.12713 0.11076 0.12533 127 2PX 0.02380 -0.01541 0.04833 -0.00020 0.00051 128 2PY -0.07353 -0.09307 -0.03845 0.01400 0.14646 129 2PZ -0.02853 0.03128 0.02073 -0.04258 -0.09917 130 3S -0.67084 1.37833 0.18763 -0.93739 -0.48792 131 3PX 0.03284 -0.32421 -0.16463 0.02644 -0.08993 132 3PY 0.15313 0.27169 -0.20727 -0.18199 -0.20262 133 3PZ 0.51560 -0.85797 0.02873 0.52821 0.09420 134 4XX 0.02869 -0.01668 0.14389 -0.01015 0.20692 135 4YY 0.03635 0.04442 -0.36750 0.10206 -0.02034 136 4ZZ -0.06741 -0.00771 0.26039 -0.09346 -0.19269 137 4XY -0.18637 -0.02858 -0.13035 -0.03236 -0.03314 138 4XZ 0.13064 -0.01670 0.18874 0.01500 -0.17439 139 4YZ -0.05141 0.03438 0.02862 0.02371 0.26453 140 10 H 1S -0.08210 -0.10633 -0.35258 0.14213 0.21590 141 2S -0.00391 -0.20902 -0.05013 0.11145 -0.08630 142 11 H 1S -0.19073 -0.06498 0.00630 0.25897 0.12263 143 2S -0.53641 0.12875 0.06253 0.02780 0.15598 144 12 H 1S 0.12851 0.05538 -0.26516 0.01925 -0.06348 145 2S 0.34565 -0.07611 0.01025 0.45923 0.19545 146 13 H 1S -0.06713 0.09285 -0.28818 0.04202 0.27990 147 2S -0.10345 0.22787 0.06509 -0.11706 -0.06004 148 14 C 1S 0.00126 -0.00030 0.00450 -0.00813 -0.00650 149 2S 0.21368 -0.01933 0.03541 0.03479 -0.10109 150 2PX 0.22495 -0.03202 0.00136 0.00938 -0.13578 151 2PY -0.09674 -0.03902 0.04046 0.05917 0.03172 152 2PZ 0.08304 -0.03830 0.04548 0.04039 -0.06305 153 3S 1.92801 -0.59004 0.28518 0.94866 0.08848 154 3PX 0.86113 -0.21670 0.21507 0.31127 0.04106 155 3PY -0.41886 -0.11926 -0.31547 -0.12876 0.01162 156 3PZ 0.28848 -0.24801 -0.08196 0.20674 0.00556 157 4XX 0.02084 -0.00394 0.04945 -0.05545 0.09415 158 4YY -0.05367 -0.06350 -0.03534 -0.07649 -0.00737 159 4ZZ 0.04088 0.06600 -0.02089 0.08493 -0.17819 160 4XY 0.27757 -0.02955 -0.00800 -0.14251 0.01645 161 4XZ -0.01123 -0.01459 0.00554 0.04355 0.14993 162 4YZ -0.24272 0.14881 -0.14601 -0.00686 0.04919 163 15 H 1S 0.26464 0.05527 0.04660 -0.06042 -0.01270 164 2S 0.15971 0.00337 0.14443 0.09892 -0.01122 165 16 H 1S -0.03722 -0.09161 0.06584 0.01946 -0.03735 166 2S 0.00221 -0.05647 -0.14239 -0.02881 -0.01605 167 17 C 1S 0.00925 0.00211 0.00687 -0.00756 -0.00274 168 2S -0.10735 0.07799 -0.03762 -0.23746 -0.16911 169 2PX 0.02380 0.00995 -0.06773 -0.15933 -0.11655 170 2PY 0.16367 -0.06731 0.06972 0.27068 0.19101 171 2PZ 0.09267 -0.03883 -0.01048 0.06079 0.00794 172 3S -2.12934 0.27687 -0.75092 -1.84781 -0.88793 173 3PX -0.67036 -0.32909 -0.09027 -0.69610 -0.10437 174 3PY 0.66062 -0.16322 0.26591 0.68640 0.24701 175 3PZ -0.03080 -0.23497 0.09885 -0.24868 0.14498 176 4XX -0.15366 0.00131 -0.05025 0.13209 0.01526 177 4YY 0.09361 -0.03772 0.00239 -0.10755 0.10399 178 4ZZ 0.08267 0.06738 0.04294 -0.09855 -0.19968 179 4XY 0.11764 -0.00851 -0.13822 -0.16691 -0.10502 180 4XZ 0.10882 0.04557 0.05276 0.25402 0.06315 181 4YZ 0.06436 -0.04507 -0.07514 0.24783 -0.01310 182 18 H 1S -0.09345 0.07465 0.09789 -0.00109 0.06917 183 2S 0.14089 0.12855 -0.06978 0.09100 -0.07408 184 19 H 1S 0.10213 -0.11914 -0.06380 -0.25857 -0.05589 185 2S -0.24483 -0.09448 0.02073 -0.19995 0.03749 141 142 143 144 145 V V V V V Eigenvalues -- 1.93500 1.97017 1.97744 2.02996 2.03672 1 1 S 1S -0.00387 0.00300 0.01123 -0.01353 -0.00978 2 2S 0.00994 0.00816 -0.05780 0.01563 0.05268 3 2PX 0.00043 -0.00429 0.03189 -0.01841 -0.02283 4 2PY -0.00696 0.02999 0.00095 0.01939 -0.01622 5 2PZ 0.00598 0.03390 -0.03921 0.02073 0.00728 6 3S -0.09530 0.13166 0.24368 -0.42627 -0.18047 7 3PX 0.01515 0.03242 -0.15329 0.10190 0.13240 8 3PY 0.04091 -0.16265 0.04037 -0.07554 0.03611 9 3PZ -0.01776 -0.19324 0.17705 -0.09986 -0.02886 10 4S -0.22450 -0.59759 0.88445 0.48137 -0.92162 11 4PX 0.06151 0.28179 -0.32717 -0.24069 0.35787 12 4PY 0.04041 -0.19358 0.08589 -0.00627 -0.16368 13 4PZ -0.02705 -0.15094 0.12693 0.00595 0.10790 14 5XX 0.00774 -0.08504 -0.03142 -0.00974 0.03814 15 5YY 0.01564 -0.03563 -0.16532 0.01897 0.13403 16 5ZZ -0.00320 0.07711 -0.01098 0.15135 -0.06118 17 5XY -0.17016 -0.00606 0.07869 -0.04912 -0.12378 18 5XZ 0.05306 0.11948 -0.25239 0.07446 0.13872 19 5YZ -0.03144 -0.00245 0.00165 -0.17751 -0.03719 20 2 O 1S -0.00552 -0.00816 0.00422 0.00329 -0.00440 21 2S -0.10231 -0.10722 0.24286 0.09996 -0.30540 22 2PX 0.01319 -0.00332 -0.04310 -0.06130 -0.00981 23 2PY 0.01206 -0.01535 -0.05515 -0.00793 0.06001 24 2PZ -0.04904 -0.01456 0.02009 -0.03980 -0.01047 25 3S 0.22457 0.37548 -0.56349 -0.27033 0.74367 26 3PX -0.02558 -0.02084 0.10339 0.14891 -0.01275 27 3PY -0.03964 -0.02234 0.14614 0.11292 -0.20045 28 3PZ 0.09787 0.10313 -0.07675 0.04127 0.05057 29 4XX 0.16341 0.02974 -0.18719 -0.04465 -0.05842 30 4YY -0.20280 -0.24032 0.05922 -0.20515 0.08468 31 4ZZ -0.04284 0.13344 0.23171 0.26734 -0.12934 32 4XY -0.26082 -0.02759 0.15151 -0.18259 -0.19083 33 4XZ 0.00693 0.20580 -0.00658 0.16391 0.08325 34 4YZ -0.11877 -0.14140 0.04357 -0.22948 0.13676 35 3 O 1S 0.00787 0.00190 0.01089 -0.00700 -0.01237 36 2S -0.14214 -0.24947 -0.02472 0.20845 -0.21406 37 2PX 0.07342 0.21999 0.10504 -0.08846 -0.00740 38 2PY -0.06749 0.08900 0.00668 -0.09500 -0.02459 39 2PZ -0.05387 0.02004 -0.05450 0.10975 0.01334 40 3S -0.03767 0.63744 -0.42240 -0.23070 0.57420 41 3PX 0.09002 -0.54776 -0.05245 -0.01160 0.05197 42 3PY 0.20610 -0.22323 0.02221 0.13136 0.19685 43 3PZ 0.08290 -0.04743 -0.04279 -0.17434 -0.02550 44 4XX -0.05344 0.02672 0.05238 0.00400 0.15415 45 4YY 0.26377 0.07868 0.03229 0.24476 -0.20777 46 4ZZ -0.22444 -0.19538 -0.07269 -0.18282 -0.09120 47 4XY -0.01036 -0.03670 -0.01643 0.01663 0.11980 48 4XZ -0.24873 -0.06902 -0.01647 -0.00814 0.09898 49 4YZ 0.10238 -0.16863 -0.08813 0.14124 0.06352 50 4 C 1S 0.00394 -0.00361 0.00193 -0.02223 0.03932 51 2S 0.04135 -0.18094 0.31664 -0.81624 0.27331 52 2PX 0.01770 0.08000 0.06229 0.00565 0.08279 53 2PY 0.04754 0.04117 0.13724 -0.22708 0.20083 54 2PZ -0.07525 0.08291 0.01680 0.18112 0.11814 55 3S -0.79335 0.74460 -0.77472 2.89598 -0.11413 56 3PX -0.10225 -0.15199 -0.13461 0.53999 0.10463 57 3PY -0.28394 0.60304 -0.33655 2.25329 -0.02159 58 3PZ 0.01360 -0.58982 0.14393 -0.13266 0.14556 59 4XX 0.03981 0.13445 0.22813 -0.08251 0.35583 60 4YY -0.13769 -0.20473 -0.07723 0.08147 -0.27055 61 4ZZ 0.13257 0.09201 -0.12815 0.08991 0.08887 62 4XY -0.17284 -0.11282 -0.01281 0.07768 -0.14278 63 4XZ -0.07675 0.14569 -0.04522 -0.06212 -0.32995 64 4YZ 0.06477 0.11815 -0.00479 -0.09884 -0.12895 65 5 C 1S -0.02096 0.04169 -0.02740 -0.00284 0.00411 66 2S -0.37579 0.46002 0.00209 0.03869 -0.29972 67 2PX -0.12830 -0.12184 -0.15136 -0.04783 -0.06199 68 2PY 0.01262 0.10959 0.06805 0.18069 -0.04948 69 2PZ -0.02015 0.07293 0.05746 -0.16720 -0.02969 70 3S 1.65045 -2.03829 1.11977 -0.06492 0.36139 71 3PX -0.03978 0.11345 0.54779 -0.38535 0.12818 72 3PY 0.42961 0.08080 0.48425 -0.15458 -0.11854 73 3PZ -0.04116 0.05312 0.45133 -0.07739 0.51546 74 4XX -0.00910 0.11059 -0.04346 -0.39935 0.12277 75 4YY 0.01940 -0.06992 0.04327 0.18669 -0.17948 76 4ZZ 0.01775 -0.09812 -0.03497 0.23634 0.11324 77 4XY 0.16093 0.03949 0.21949 0.11824 -0.08440 78 4XZ -0.15112 -0.16240 -0.18346 0.08781 -0.08184 79 4YZ 0.09575 -0.41888 0.12726 0.02621 0.05015 80 6 C 1S -0.00433 0.01578 -0.00827 0.00747 0.00587 81 2S 0.13245 0.52376 0.28242 0.37270 -0.11366 82 2PX 0.19531 0.05964 0.22577 0.18371 -0.08856 83 2PY -0.10539 0.02263 0.02519 -0.11750 0.00910 84 2PZ 0.04702 0.08078 0.09164 0.09532 -0.09616 85 3S 0.42370 -1.20090 -1.11129 -0.61133 -0.39005 86 3PX -0.88555 -0.37283 -2.31400 -1.70614 0.26488 87 3PY 1.09525 -0.81157 -0.43104 0.44576 -0.17868 88 3PZ 0.12855 -0.73881 -1.32631 -1.06272 -0.13023 89 4XX 0.12672 -0.15990 0.09715 0.05540 0.01130 90 4YY -0.10128 0.14180 -0.27573 -0.20177 -0.02793 91 4ZZ -0.05152 0.06578 0.06121 0.10258 0.08729 92 4XY 0.06855 0.14835 0.01430 0.03757 -0.06336 93 4XZ 0.11793 -0.15421 0.21506 0.02932 -0.08732 94 4YZ -0.22912 0.07459 0.02272 0.09594 0.09795 95 7 C 1S 0.00251 0.00810 -0.02420 0.00132 0.00231 96 2S 0.54937 -0.27622 -0.48570 -0.22446 -0.12790 97 2PX 0.14247 0.05772 -0.07720 -0.16184 -0.02008 98 2PY -0.24041 0.13612 0.02405 0.13927 0.17416 99 2PZ -0.04055 0.13892 -0.02817 -0.04678 0.03346 100 3S -0.89539 0.12421 2.35469 0.75479 -0.42428 101 3PX -0.41574 -1.13999 0.94842 0.86661 -0.51846 102 3PY 1.19068 -0.66108 -1.59082 -1.47167 -0.42881 103 3PZ 0.32898 -1.17685 -0.78211 0.00580 -0.46510 104 4XX -0.13199 -0.01369 0.14285 -0.02572 0.17647 105 4YY 0.13565 0.01198 0.06067 -0.16505 -0.03820 106 4ZZ -0.06704 0.05270 -0.23973 0.26280 -0.07212 107 4XY 0.00236 -0.09306 -0.15084 -0.04877 0.14432 108 4XZ -0.22885 -0.05165 -0.01267 0.15894 0.01828 109 4YZ -0.00863 -0.08281 0.03809 -0.11748 -0.01273 110 8 C 1S -0.01469 -0.05314 0.03552 0.01797 -0.03115 111 2S -0.14775 -1.00580 0.40275 0.03347 -0.64808 112 2PX -0.12902 0.06609 0.14267 0.09564 0.02731 113 2PY 0.22987 0.10444 -0.01978 -0.14719 -0.00325 114 2PZ -0.14721 0.15869 -0.04372 0.13450 0.11274 115 3S 0.64945 3.23814 -2.00232 -0.39799 2.24880 116 3PX -0.07162 -0.58472 0.08648 0.02495 -0.36610 117 3PY -0.47406 -0.12855 0.20222 -0.30670 -0.54385 118 3PZ -0.05394 -0.42280 1.04858 -0.35626 -0.61749 119 4XX -0.19203 -0.03415 0.17081 0.17944 0.19077 120 4YY 0.04698 0.05642 0.24726 -0.23375 -0.01633 121 4ZZ 0.12438 0.06634 -0.47227 0.06135 -0.09564 122 4XY 0.20729 0.05919 0.02748 -0.08716 -0.09218 123 4XZ -0.08735 0.14592 0.18429 -0.15266 -0.26253 124 4YZ -0.25534 0.18056 0.04032 -0.11845 0.03154 125 9 C 1S -0.00025 0.00960 0.00910 0.01762 0.04923 126 2S -0.38489 0.01035 0.08483 0.57420 0.56800 127 2PX 0.03689 0.03798 -0.00890 -0.00457 -0.09468 128 2PY -0.16519 0.09983 -0.01024 0.11802 -0.08907 129 2PZ 0.04763 0.07059 -0.01251 -0.12534 -0.24733 130 3S 0.42194 -0.92291 0.36353 -2.71835 -1.69088 131 3PX -0.34623 0.11661 0.03198 0.68575 0.32972 132 3PY 0.03469 -0.66898 0.05237 0.09535 -0.18822 133 3PZ -0.72587 0.49510 -0.08055 1.93970 1.09629 134 4XX 0.07350 0.00437 0.07086 0.00799 0.39728 135 4YY 0.23177 -0.02702 -0.05333 -0.02073 -0.02260 136 4ZZ -0.26854 0.02749 -0.00863 -0.04118 -0.23530 137 4XY 0.04063 0.11626 0.00904 0.09737 -0.19540 138 4XZ -0.03060 0.01719 0.00978 -0.00800 -0.30511 139 4YZ -0.10759 -0.05330 -0.25855 -0.00245 -0.08953 140 10 H 1S 0.17372 0.25965 0.05924 0.10400 0.20566 141 2S -0.05961 0.13259 -0.05913 0.66742 -0.06208 142 11 H 1S -0.16878 0.53837 -0.05792 -0.23654 0.06693 143 2S -0.05079 0.13696 0.21707 0.02458 0.05999 144 12 H 1S 0.06951 -0.38184 0.00259 0.30772 0.07685 145 2S 0.05469 0.06322 -0.19648 0.07948 0.10845 146 13 H 1S 0.28867 -0.05764 -0.08727 -0.13260 0.15570 147 2S 0.22092 -0.11556 -0.02316 -0.51454 -0.34100 148 14 C 1S 0.00439 0.01343 -0.00717 0.00091 0.00180 149 2S -0.04569 0.08686 -0.22527 -0.10000 0.00538 150 2PX -0.09098 0.07184 -0.21891 -0.10469 0.00651 151 2PY -0.01122 0.08085 0.06050 0.03180 0.00307 152 2PZ -0.07600 0.09473 -0.09400 -0.04454 0.02638 153 3S -0.67072 -0.34493 -1.26584 -1.16148 0.17632 154 3PX -0.11873 -0.14859 -0.34167 -0.38503 0.03532 155 3PY -0.49010 0.11861 0.38109 0.20588 -0.01368 156 3PZ -0.35472 -0.03794 -0.13349 -0.09686 0.04117 157 4XX 0.03156 -0.00887 0.14220 0.06661 -0.09356 158 4YY -0.12476 0.11998 0.00388 0.04636 0.08618 159 4ZZ 0.05128 -0.00042 -0.21824 -0.12882 0.03117 160 4XY 0.00305 -0.05119 -0.13943 -0.12436 -0.01140 161 4XZ 0.10385 -0.25062 0.10987 0.00325 -0.03230 162 4YZ 0.03815 -0.06102 0.02837 -0.09670 -0.03019 163 15 H 1S 0.16894 -0.11165 -0.18678 -0.14495 -0.02531 164 2S 0.12843 0.04985 -0.05224 -0.01559 0.02286 165 16 H 1S -0.10130 0.11188 0.12758 0.18898 -0.01322 166 2S -0.18384 0.00127 0.05089 -0.00920 0.00796 167 17 C 1S 0.00772 0.00011 -0.01037 -0.00086 0.00213 168 2S -0.05516 -0.00790 0.00493 0.10794 0.01774 169 2PX -0.08857 0.05807 0.01139 0.04860 0.01855 170 2PY 0.07093 0.00541 0.04188 -0.10460 -0.05937 171 2PZ -0.01323 0.04937 0.03063 -0.03103 0.00163 172 3S -0.73221 0.23416 0.84519 0.89463 0.27077 173 3PX 0.09820 0.45286 0.24757 0.16844 0.33580 174 3PY 0.16306 0.02525 -0.27449 -0.11567 0.06294 175 3PZ 0.15001 0.31412 0.18182 0.00244 0.19370 176 4XX -0.00616 -0.04486 -0.23566 0.10290 0.00227 177 4YY 0.02982 0.04927 0.23117 -0.06205 -0.08454 178 4ZZ -0.03845 -0.01658 -0.08693 0.00474 0.13080 179 4XY -0.08709 0.06164 0.01379 0.15467 0.07372 180 4XZ -0.09055 -0.10496 0.10066 0.08437 0.02301 181 4YZ -0.05346 0.04853 0.09246 0.10779 -0.01968 182 18 H 1S 0.08172 -0.10123 -0.18971 -0.18629 -0.10188 183 2S -0.08118 -0.15190 -0.02933 -0.00933 -0.10891 184 19 H 1S 0.04089 0.19009 0.14092 -0.00215 0.05674 185 2S 0.12932 0.10613 0.01811 -0.00513 0.10934 146 147 148 149 150 V V V V V Eigenvalues -- 2.05935 2.08812 2.12323 2.16053 2.17233 1 1 S 1S -0.00322 0.00274 -0.00284 0.00779 -0.00088 2 2S 0.03187 -0.01529 0.01434 0.02622 -0.03049 3 2PX -0.03713 -0.00349 0.01210 -0.03775 0.03525 4 2PY 0.01038 0.00503 -0.01780 0.00722 0.00675 5 2PZ 0.04590 0.00011 -0.01355 -0.02064 0.02520 6 3S -0.04390 0.06013 -0.05712 0.33844 -0.11654 7 3PX 0.15497 0.00886 -0.05379 0.12603 -0.15309 8 3PY -0.08002 -0.00847 0.07308 -0.03770 -0.02583 9 3PZ -0.19879 0.01674 0.06889 0.12458 -0.11064 10 4S -0.47830 0.01306 0.14909 -1.00421 0.98113 11 4PX 0.23345 0.00658 -0.04902 0.51511 -0.47633 12 4PY -0.11594 -0.10034 0.18479 -0.11168 0.09605 13 4PZ -0.11483 0.02516 0.07105 0.08206 -0.20847 14 5XX 0.05982 -0.05612 0.10111 -0.09223 0.06271 15 5YY -0.13879 -0.11080 -0.06214 0.11499 -0.18976 16 5ZZ 0.19446 0.09865 0.00863 -0.07174 0.12812 17 5XY 0.23264 0.06292 -0.14618 0.25289 -0.10675 18 5XZ -0.02331 -0.09180 0.00147 -0.17315 0.13366 19 5YZ -0.17428 -0.07398 -0.05501 -0.03808 -0.03248 20 2 O 1S 0.00126 0.00106 -0.00111 -0.00728 0.00920 21 2S -0.16373 -0.03824 0.06576 -0.25333 0.22057 22 2PX 0.08899 0.01282 -0.02745 0.08945 -0.03387 23 2PY -0.00533 -0.00721 0.00776 0.03703 -0.04400 24 2PZ -0.08184 -0.02306 0.00428 -0.00392 -0.03067 25 3S 0.34401 0.08772 -0.16601 0.68263 -0.66016 26 3PX -0.22844 -0.03983 0.07334 -0.29144 0.15904 27 3PY 0.00284 0.01275 0.00138 -0.17336 0.21084 28 3PZ 0.22636 0.06734 -0.03473 0.03576 0.06046 29 4XX -0.03065 0.04066 -0.08417 -0.03030 0.05683 30 4YY -0.42857 -0.17872 0.01903 0.04853 -0.20879 31 4ZZ 0.43313 0.14356 0.06212 -0.12321 0.25835 32 4XY 0.46586 0.16118 -0.16752 0.50286 -0.30889 33 4XZ -0.28081 -0.05834 0.09132 -0.28410 0.11368 34 4YZ -0.29134 -0.14878 0.01490 0.10070 -0.18928 35 3 O 1S -0.00536 0.00128 -0.00104 -0.00467 0.00504 36 2S -0.03004 0.00235 -0.19017 -0.21343 0.08283 37 2PX 0.01835 0.02015 0.02592 0.02715 0.06144 38 2PY 0.03380 -0.06885 0.06969 -0.05053 0.10637 39 2PZ 0.04332 -0.02279 -0.02125 -0.00561 -0.05172 40 3S 0.20134 -0.06108 0.39634 0.45049 -0.25464 41 3PX -0.09523 -0.00175 0.02402 0.05904 -0.23733 42 3PY -0.10353 0.20269 -0.17957 0.25703 -0.39941 43 3PZ -0.08152 0.05649 0.07605 0.02085 0.10795 44 4XX 0.15777 0.03992 0.03132 -0.12012 0.07817 45 4YY -0.07886 -0.07532 -0.07510 0.21358 -0.30817 46 4ZZ -0.11660 0.04536 -0.01616 -0.18121 0.25827 47 4XY 0.09445 -0.11064 0.35078 -0.05496 0.12599 48 4XZ 0.10960 -0.09829 0.00327 -0.13991 0.08855 49 4YZ -0.02006 0.18198 -0.05412 -0.04950 -0.08077 50 4 C 1S 0.00152 0.00647 -0.00927 0.00638 -0.00096 51 2S -0.00676 -0.23121 -0.04854 -0.02480 0.33112 52 2PX -0.03425 0.01756 -0.02364 0.01931 0.00908 53 2PY 0.00811 -0.09785 -0.07790 -0.01438 0.09230 54 2PZ -0.03773 0.09671 -0.13806 0.00117 -0.06909 55 3S -0.29745 0.64427 -0.42114 -0.32298 -0.74732 56 3PX 0.11496 0.13750 0.03709 -0.08683 -0.20288 57 3PY -0.14099 0.51900 -0.52568 -0.16461 -0.68214 58 3PZ -0.06272 -0.02326 0.03094 -0.00697 -0.08059 59 4XX 0.01257 -0.00454 -0.22198 0.04189 -0.07712 60 4YY -0.16094 0.06014 -0.03423 0.01065 -0.00027 61 4ZZ 0.13721 0.00268 0.15060 -0.02101 0.02203 62 4XY 0.20092 0.00520 0.28703 -0.08440 0.04477 63 4XZ -0.16171 -0.04351 -0.01026 -0.06701 0.04223 64 4YZ 0.08680 -0.26205 0.21473 -0.03790 -0.08840 65 5 C 1S 0.00854 -0.01045 0.01091 -0.01618 0.02996 66 2S -0.08485 -0.22459 -0.13897 -0.16003 0.26712 67 2PX -0.02767 -0.03126 -0.08168 -0.07067 -0.04214 68 2PY -0.06006 -0.00536 -0.12204 0.01169 -0.06058 69 2PZ -0.00100 -0.10129 0.03875 -0.00181 0.02671 70 3S -0.30847 0.42543 -0.33829 0.92406 -1.47311 71 3PX 0.02530 -0.15057 -0.14792 0.01096 0.26647 72 3PY 0.21599 -0.43011 0.31165 0.30062 -0.34599 73 3PZ 0.43672 -0.23894 0.17173 0.15127 -0.07776 74 4XX 0.01937 0.01886 0.05942 0.00420 0.05186 75 4YY 0.03268 -0.25198 -0.09341 -0.05903 -0.01016 76 4ZZ -0.02604 0.20930 0.04097 0.06574 -0.09169 77 4XY -0.04914 0.05776 -0.00799 0.04842 0.15500 78 4XZ -0.08292 0.09500 -0.22171 -0.07244 0.00273 79 4YZ 0.04001 -0.02896 0.00723 0.03531 -0.03211 80 6 C 1S 0.01324 -0.02133 0.00801 0.01595 -0.00512 81 2S -0.20227 0.13191 -0.18272 0.35043 0.13742 82 2PX -0.07390 -0.03269 -0.18693 -0.05244 -0.11001 83 2PY 0.03810 -0.12089 0.09268 -0.00934 0.06134 84 2PZ -0.04570 -0.11690 -0.13043 -0.04925 -0.01370 85 3S -0.60775 1.05151 0.37550 -1.14170 -0.42400 86 3PX 0.09898 1.28044 1.32177 -0.62154 1.18055 87 3PY -0.59341 1.34394 0.05393 0.24832 -1.17852 88 3PZ -0.56828 1.45302 0.95337 -0.29705 0.24562 89 4XX 0.05566 -0.10129 -0.04621 -0.05097 0.09928 90 4YY 0.02534 0.16156 -0.09330 -0.05923 0.00265 91 4ZZ -0.04418 -0.03686 0.26942 0.16039 -0.11888 92 4XY 0.00373 -0.00147 -0.10060 0.01053 -0.04323 93 4XZ 0.05474 -0.03464 -0.09515 -0.17949 -0.11316 94 4YZ -0.10208 0.05240 0.11749 -0.06198 -0.12948 95 7 C 1S -0.00784 0.00611 0.01964 0.00085 -0.00458 96 2S 0.14167 -0.08503 0.07914 0.15193 0.46710 97 2PX 0.06444 -0.03243 -0.01633 -0.07655 0.00720 98 2PY 0.03668 -0.14143 -0.01700 0.17778 -0.01733 99 2PZ 0.03381 -0.11188 -0.09653 -0.01623 0.02304 100 3S 0.24051 -0.93076 -0.56021 -0.26569 -0.21277 101 3PX -0.81558 0.69009 -0.27008 0.58788 -0.22176 102 3PY -0.46357 1.45184 1.73024 -1.35118 -0.26237 103 3PZ -0.62387 1.53176 0.34276 -0.46641 -0.19896 104 4XX 0.09412 -0.03829 -0.01707 -0.09519 0.04414 105 4YY -0.00408 0.07549 0.11146 0.00659 -0.09984 106 4ZZ -0.09690 -0.14553 -0.05782 0.15714 0.02449 107 4XY 0.16788 -0.10342 0.10814 0.07058 0.01875 108 4XZ 0.05798 -0.11369 0.04891 -0.09237 -0.08873 109 4YZ 0.05681 -0.02640 -0.03550 -0.15997 0.01032 110 8 C 1S -0.01072 0.01021 0.01273 -0.01264 0.01615 111 2S -0.20769 0.37177 0.13019 0.02181 0.36554 112 2PX -0.02947 -0.02520 -0.03367 -0.00430 -0.06692 113 2PY 0.08420 -0.14162 0.03412 0.01536 0.07393 114 2PZ -0.04623 -0.02931 -0.08026 -0.04990 -0.08078 115 3S 0.99835 -0.63909 -0.30189 -0.01063 -0.96062 116 3PX 0.09096 0.22354 -0.43361 0.16028 0.29614 117 3PY 0.03287 -0.03150 -0.17501 0.37881 0.38216 118 3PZ -0.18096 0.02076 -0.05683 0.18100 0.51417 119 4XX -0.05401 0.07901 0.33390 -0.05283 -0.15047 120 4YY 0.06784 -0.18747 -0.07573 -0.11836 0.07728 121 4ZZ -0.01111 0.08296 -0.23218 0.13445 0.00344 122 4XY -0.20652 -0.01055 0.15565 0.16350 -0.05646 123 4XZ -0.15924 0.18534 -0.05990 -0.06134 -0.04491 124 4YZ 0.03217 0.05476 -0.20595 -0.08274 0.14190 125 9 C 1S -0.00290 0.00406 -0.02098 0.00182 -0.01058 126 2S -0.08134 0.47578 -0.42854 0.05613 -0.15806 127 2PX 0.01986 -0.06799 0.07381 -0.00493 0.00525 128 2PY 0.01109 0.05427 0.01236 -0.02177 0.00570 129 2PZ 0.00638 -0.17562 0.11408 -0.06233 0.02954 130 3S 0.13038 -0.82908 0.97191 0.26859 1.15566 131 3PX -0.19920 0.14547 -0.20826 0.06840 -0.26522 132 3PY -0.10003 0.01809 0.03538 -0.04955 0.11898 133 3PZ -0.02161 0.55222 -0.59896 -0.19633 -0.70541 134 4XX -0.02082 0.15286 -0.05522 0.02089 -0.02560 135 4YY 0.20941 -0.10139 0.03445 -0.05224 0.02764 136 4ZZ -0.21163 -0.05117 -0.04458 0.06448 0.02175 137 4XY -0.17229 -0.07006 0.29463 0.22570 -0.11048 138 4XZ 0.20285 -0.02251 0.08781 -0.21525 0.08185 139 4YZ 0.07409 0.02726 0.17466 -0.05031 -0.10841 140 10 H 1S 0.08938 -0.05706 -0.06162 -0.00237 -0.10051 141 2S -0.04399 0.16412 -0.17971 -0.03676 -0.18038 142 11 H 1S 0.12626 -0.11805 0.18766 -0.04544 0.10278 143 2S 0.19226 -0.23184 0.14641 0.04172 0.00230 144 12 H 1S 0.01628 -0.05770 0.22600 -0.08004 -0.09284 145 2S -0.03382 0.01386 0.12252 -0.11800 -0.15805 146 13 H 1S 0.06771 0.00889 0.07617 0.05688 -0.02266 147 2S -0.02290 -0.13249 0.10860 0.02118 0.21200 148 14 C 1S 0.00509 -0.02171 -0.00994 -0.00230 -0.02790 149 2S 0.00325 -0.11851 -0.04592 -0.04629 -0.17781 150 2PX -0.01327 0.01196 0.01669 0.00942 -0.00087 151 2PY -0.00593 -0.00984 0.00603 -0.00337 -0.02448 152 2PZ -0.00902 0.00687 0.02660 0.01086 -0.03119 153 3S -0.07584 1.42435 1.22964 -0.02551 1.53865 154 3PX -0.01876 0.30057 0.23482 -0.22962 0.30703 155 3PY 0.21116 -0.72145 -0.08574 -0.06313 0.29271 156 3PZ 0.21406 -0.17426 0.13637 -0.16267 0.27756 157 4XX -0.03982 -0.25660 -0.22989 -0.19771 -0.04291 158 4YY -0.13160 0.32906 0.26703 0.27455 0.20023 159 4ZZ 0.15624 -0.04533 -0.02393 -0.01921 -0.18220 160 4XY 0.00796 -0.14847 -0.13716 -0.06842 0.05379 161 4XZ 0.02116 0.10627 0.05363 -0.03091 0.10708 162 4YZ -0.12667 0.41734 0.09771 0.16973 0.47891 163 15 H 1S 0.05804 -0.14787 -0.19140 -0.12565 -0.17961 164 2S -0.08721 0.20470 0.01434 -0.04197 -0.18025 165 16 H 1S 0.11178 -0.48014 -0.14134 -0.16354 -0.36090 166 2S 0.09566 -0.22645 -0.04457 -0.08983 0.13646 167 17 C 1S 0.00328 0.01293 0.01346 -0.01761 -0.02497 168 2S 0.02382 0.08000 0.02511 -0.11910 -0.19078 169 2PX 0.00628 -0.00225 -0.04553 -0.00708 0.00115 170 2PY -0.03354 0.01247 0.02416 -0.02391 0.05551 171 2PZ -0.01652 0.01257 -0.00230 -0.00098 0.01000 172 3S 0.05057 -1.02830 -1.24631 1.54354 0.78284 173 3PX 0.40400 -0.60035 -0.46025 0.07688 0.06571 174 3PY 0.08897 -0.06077 0.25521 -0.26270 -0.01670 175 3PZ 0.28442 -0.54224 0.05249 -0.03842 -0.02323 176 4XX -0.00415 -0.14955 -0.08543 0.18872 0.17241 177 4YY -0.07622 0.11424 0.17770 -0.09341 -0.21357 178 4ZZ 0.11245 -0.01442 -0.06610 -0.06691 0.03445 179 4XY 0.03294 -0.16173 0.05799 0.09039 0.01491 180 4XZ -0.02099 -0.45201 0.04317 0.49846 0.39704 181 4YZ -0.06040 -0.09610 -0.38520 0.02495 0.29729 182 18 H 1S -0.05052 0.40021 0.23100 -0.23513 -0.30456 183 2S -0.13899 0.26060 0.03421 -0.05040 -0.02864 184 19 H 1S 0.07645 0.13816 -0.02630 -0.34728 -0.24977 185 2S 0.17875 -0.23156 -0.06038 -0.01468 -0.03205 151 152 153 154 155 V V V V V Eigenvalues -- 2.19161 2.21201 2.22423 2.26487 2.30896 1 1 S 1S -0.00204 -0.01116 -0.00855 -0.00061 0.00607 2 2S 0.02228 0.02462 0.02954 -0.00672 -0.05394 3 2PX -0.00666 -0.02552 -0.02150 0.00068 0.01068 4 2PY -0.00540 -0.00728 -0.00990 -0.03835 0.01514 5 2PZ -0.01285 0.03703 0.01487 -0.04226 0.02174 6 3S -0.03976 -0.32850 -0.21950 -0.00820 0.09548 7 3PX 0.01143 0.17486 0.12956 0.01488 -0.01206 8 3PY -0.00855 0.02957 0.05126 0.20382 -0.05124 9 3PZ 0.02999 -0.22329 -0.04732 0.19846 -0.16107 10 4S -0.30661 -0.42277 -0.49140 0.08340 0.37930 11 4PX 0.10583 0.19370 0.18569 -0.08094 -0.11062 12 4PY -0.08998 0.11917 0.01199 0.06845 0.07849 13 4PZ 0.06566 -0.08771 -0.05901 0.11307 0.00216 14 5XX 0.04626 0.09817 0.00462 0.01786 -0.07753 15 5YY 0.33639 0.09943 0.04809 -0.13034 -0.03226 16 5ZZ -0.26393 -0.05092 0.05224 0.02751 -0.08394 17 5XY 0.02157 0.06004 -0.13692 -0.15090 0.09730 18 5XZ -0.01620 0.12852 0.07228 -0.17115 0.03520 19 5YZ 0.14299 0.02048 0.04700 -0.08261 0.05671 20 2 O 1S -0.00076 -0.00311 -0.00303 0.00317 0.00503 21 2S -0.10098 -0.02678 -0.06720 -0.00810 0.06675 22 2PX 0.00488 0.02649 -0.00766 0.01480 0.03345 23 2PY 0.04652 0.01160 -0.00206 0.00089 -0.02492 24 2PZ 0.03400 -0.00368 -0.01551 0.00219 0.00781 25 3S 0.25375 0.07632 0.20507 -0.03607 -0.24458 26 3PX -0.02428 -0.08812 0.00708 -0.01417 -0.06147 27 3PY -0.14141 -0.03269 -0.04480 0.00337 0.08872 28 3PZ -0.11942 0.01037 0.05753 -0.02955 -0.03746 29 4XX 0.00062 -0.03620 -0.00341 0.06136 0.06525 30 4YY 0.35094 0.01547 -0.00651 -0.01625 -0.01576 31 4ZZ -0.38114 -0.01414 -0.01573 -0.02154 -0.00171 32 4XY 0.05351 0.07439 -0.10714 -0.01308 0.03638 33 4XZ -0.02509 -0.04694 0.05701 0.02275 -0.04700 34 4YZ 0.27139 0.02349 -0.02834 0.01373 0.02696 35 3 O 1S -0.00057 -0.01200 -0.00564 -0.02028 0.00322 36 2S 0.03807 -0.04107 -0.09961 0.07073 0.14884 37 2PX 0.05131 -0.10884 -0.09695 -0.18882 -0.00632 38 2PY 0.01397 0.02072 -0.10554 -0.06940 0.07435 39 2PZ 0.07425 0.05877 -0.02726 -0.00988 0.02071 40 3S -0.02647 0.77745 0.58346 -0.10510 -0.08141 41 3PX -0.09873 -0.04685 0.08096 0.58534 -0.09401 42 3PY -0.05628 -0.11017 0.32849 0.19682 -0.29434 43 3PZ -0.24889 0.14595 0.28610 0.14422 0.02107 44 4XX -0.03994 0.07578 -0.16389 -0.36816 -0.06775 45 4YY 0.29169 0.00630 -0.00730 0.14797 0.01611 46 4ZZ -0.28282 -0.11251 0.18512 0.13218 0.09514 47 4XY 0.12664 0.00912 -0.28878 0.19127 -0.02966 48 4XZ -0.13296 0.23529 0.00887 0.11734 -0.06832 49 4YZ -0.08093 -0.18228 0.20036 0.07156 -0.23706 50 4 C 1S -0.01649 -0.00008 -0.01669 0.01904 -0.01466 51 2S -0.37690 0.12100 -0.16999 0.28234 0.01757 52 2PX -0.00914 -0.07210 -0.01494 0.04263 0.02917 53 2PY -0.10265 0.07502 0.02476 0.06885 0.08975 54 2PZ 0.05834 -0.16441 -0.00988 -0.02324 0.01748 55 3S 0.64142 1.48638 1.62410 -1.24130 1.34085 56 3PX 0.23606 0.19963 0.21722 0.12311 -0.03148 57 3PY 0.39453 0.68306 1.14552 -0.70807 0.61577 58 3PZ -0.24599 -0.09169 -0.00131 0.23264 -0.21138 59 4XX -0.06189 -0.00636 -0.01125 0.20739 -0.24092 60 4YY -0.14529 0.16122 -0.03667 -0.22679 -0.00510 61 4ZZ 0.20133 -0.11521 0.02880 0.00582 0.23502 62 4XY 0.28212 -0.14245 -0.02995 0.17719 -0.13173 63 4XZ 0.08865 -0.21074 0.05206 -0.12273 -0.03315 64 4YZ -0.02077 0.09925 0.25043 0.14841 0.10209 65 5 C 1S 0.00571 0.02693 -0.00103 -0.07091 0.02214 66 2S -0.08880 0.83773 0.61848 -0.30680 0.36562 67 2PX -0.11129 0.12279 0.12192 0.12764 0.00674 68 2PY 0.03326 0.06289 0.20301 0.05184 0.07526 69 2PZ -0.10211 0.16528 0.02658 0.02879 -0.03020 70 3S -0.20475 -2.46796 -1.10231 2.23295 -1.54770 71 3PX 0.04180 -0.96112 -0.58366 -0.49312 -0.47180 72 3PY 0.34726 -1.25499 -0.94830 0.58190 -0.55774 73 3PZ 0.23294 -1.39679 -0.91911 0.00700 -0.88872 74 4XX 0.00273 0.11114 -0.09363 -0.33482 0.02215 75 4YY -0.03794 0.06971 -0.06316 0.26236 -0.02116 76 4ZZ 0.02794 -0.29513 0.05771 0.08711 -0.08377 77 4XY 0.11678 0.06225 -0.18376 -0.17445 0.05870 78 4XZ -0.01008 0.30099 0.07216 -0.05376 0.05161 79 4YZ -0.15836 0.11454 0.09451 0.22603 -0.11624 80 6 C 1S -0.00168 -0.02438 -0.00518 0.04785 -0.02032 81 2S 0.10609 -0.19109 0.14683 0.03124 -0.29619 82 2PX 0.03680 -0.18321 0.09577 -0.29345 0.17488 83 2PY -0.03092 0.02862 0.07399 0.16293 -0.06540 84 2PZ 0.03363 -0.04288 0.00128 -0.05737 0.10132 85 3S -0.45747 2.70109 0.73006 -0.99340 1.15178 86 3PX 0.07006 2.85099 0.45957 0.07275 2.08173 87 3PY 0.09185 0.83101 0.49605 0.33984 0.65717 88 3PZ 0.05116 2.29154 0.14760 0.48425 1.62232 89 4XX 0.10355 0.06860 -0.28458 0.10728 0.06169 90 4YY -0.10885 -0.02147 0.14770 -0.03561 0.03479 91 4ZZ -0.02313 0.06716 0.12546 0.13890 -0.17881 92 4XY 0.04704 0.15829 0.11414 0.27472 0.16836 93 4XZ 0.03670 -0.07493 0.19775 -0.22949 0.11584 94 4YZ -0.08162 0.10463 -0.24326 -0.14537 -0.08236 95 7 C 1S -0.01269 0.01771 0.00520 0.00756 0.04522 96 2S 0.10284 0.20038 0.06593 0.19359 0.43195 97 2PX 0.02803 0.08775 0.04621 0.02051 -0.23209 98 2PY -0.09824 -0.10697 0.04616 -0.09585 0.29104 99 2PZ 0.03114 0.01267 -0.00228 0.00454 -0.00493 100 3S 0.65263 -2.74021 -0.97811 -0.11334 -1.95471 101 3PX 0.05782 -0.42923 0.35868 -0.45416 -0.80999 102 3PY 0.35039 3.18069 0.08420 0.58902 2.40431 103 3PZ 0.25010 1.66379 0.34683 -0.05053 1.07257 104 4XX 0.07634 -0.02273 0.14273 0.00351 0.30372 105 4YY -0.11379 -0.07459 0.17476 -0.12357 -0.08444 106 4ZZ 0.02152 -0.01259 -0.33173 0.10599 -0.06268 107 4XY -0.05710 -0.21537 0.15829 0.02799 0.16389 108 4XZ 0.01559 0.05705 -0.10840 -0.10293 -0.11258 109 4YZ -0.00403 -0.06644 -0.21867 0.06699 -0.01185 110 8 C 1S 0.02293 -0.01355 -0.02850 -0.01082 -0.04006 111 2S 0.05407 -0.80867 -0.31841 0.08811 -0.49740 112 2PX -0.00863 -0.01179 -0.00525 -0.03019 0.00521 113 2PY -0.04284 0.23719 0.00353 -0.00550 -0.01432 114 2PZ 0.04937 0.13291 0.10578 -0.07386 0.08643 115 3S -0.40913 2.07888 1.18240 0.19369 2.22191 116 3PX 0.55815 -0.53174 -0.01762 -0.14782 -1.05380 117 3PY -0.01438 -1.77151 -0.80520 0.23887 -0.80062 118 3PZ -0.17372 -1.57651 -0.44859 0.39859 -0.66350 119 4XX -0.09986 0.01153 -0.00327 -0.13836 0.25040 120 4YY 0.08118 0.03024 0.11981 0.19166 -0.08419 121 4ZZ 0.08817 0.08703 -0.08878 -0.08018 -0.10214 122 4XY -0.26759 0.05371 -0.00271 0.07761 0.24955 123 4XZ -0.14605 -0.19493 -0.15551 0.34400 0.25399 124 4YZ 0.23044 -0.30195 0.20251 0.15367 -0.04914 125 9 C 1S -0.00618 -0.00191 0.00406 0.00466 0.01965 126 2S -0.05706 -0.16906 0.05255 -0.13631 0.06520 127 2PX 0.02427 -0.01399 0.05082 0.01273 0.06024 128 2PY 0.11576 -0.21152 0.09533 0.00642 0.01813 129 2PZ 0.04435 0.05667 0.07556 0.04332 0.05075 130 3S -0.08848 -1.31677 -1.61885 0.59655 -1.49419 131 3PX -0.26676 0.23667 0.25764 -0.33894 0.36180 132 3PY 0.09982 0.07052 -0.22618 -0.06060 -0.31858 133 3PZ 0.23738 0.80499 0.87143 -0.59498 0.64201 134 4XX 0.07290 -0.31533 -0.11095 0.21740 -0.02365 135 4YY 0.10345 0.29417 -0.04751 -0.04643 -0.12980 136 4ZZ -0.20465 0.00528 0.06200 -0.14663 0.16802 137 4XY -0.20019 -0.10099 -0.09175 -0.04912 -0.09831 138 4XZ 0.38136 -0.07490 0.01503 0.08598 -0.22492 139 4YZ 0.08926 -0.00180 0.14869 0.00259 0.07696 140 10 H 1S 0.05524 -0.02520 0.16889 0.12304 0.04433 141 2S 0.11891 0.15260 0.21759 -0.20824 0.09173 142 11 H 1S 0.17354 -0.26138 -0.21378 -0.32848 -0.00077 143 2S 0.14866 -0.43617 -0.36908 -0.00729 -0.29428 144 12 H 1S 0.00392 0.42232 -0.00930 -0.29247 -0.06227 145 2S -0.00540 0.59033 0.20429 -0.07887 0.36023 146 13 H 1S -0.02051 -0.04261 -0.06827 0.12424 -0.02404 147 2S -0.03308 -0.18972 -0.23421 0.15641 -0.12651 148 14 C 1S -0.02149 -0.01135 -0.00571 0.01336 -0.03857 149 2S -0.19914 0.01321 -0.02037 0.16188 -0.12758 150 2PX -0.07148 0.04291 -0.02127 0.08446 0.03721 151 2PY 0.00243 0.01713 -0.01308 0.00468 0.00322 152 2PZ -0.05406 0.02043 0.02770 0.03218 0.00724 153 3S 0.61613 1.93376 0.23427 0.18250 1.98256 154 3PX 0.19419 0.49615 -0.11087 -0.17864 0.88967 155 3PY -0.03298 -0.27602 -0.04062 0.24872 -0.28790 156 3PZ 0.11031 0.13277 0.17594 -0.08928 0.44009 157 4XX 0.00637 -0.02434 -0.35246 0.06452 0.26061 158 4YY 0.08359 0.25470 0.07998 0.20955 -0.16387 159 4ZZ -0.13578 -0.24889 0.26689 -0.22958 -0.21060 160 4XY -0.08689 -0.17405 -0.37516 -0.16571 -0.23895 161 4XZ 0.14277 -0.13121 0.16195 -0.36192 0.30085 162 4YZ 0.22680 0.17612 -0.06293 -0.00739 0.07129 163 15 H 1S -0.14950 -0.26736 -0.18111 -0.27292 -0.18542 164 2S 0.03826 0.14587 0.00727 -0.08396 0.23969 165 16 H 1S -0.16574 -0.10054 0.03034 0.17897 -0.03856 166 2S 0.00611 -0.12345 -0.02790 -0.07731 -0.01311 167 17 C 1S 0.00685 0.00383 -0.01285 0.01176 0.04884 168 2S 0.05060 -0.11254 -0.06725 0.11396 0.20766 169 2PX 0.03298 -0.01796 0.00875 0.02022 -0.01089 170 2PY 0.00417 0.08363 -0.01512 -0.02815 0.00445 171 2PZ 0.00200 0.02552 0.03465 -0.01993 -0.01657 172 3S -0.49963 -1.58595 0.50046 -0.69562 -2.05364 173 3PX 0.00632 -0.30339 0.04537 -0.11455 -0.60261 174 3PY 0.23632 0.36592 -0.11726 0.28958 1.03437 175 3PZ 0.13302 -0.07088 0.01788 0.03469 0.00718 176 4XX -0.10696 -0.15152 -0.24834 0.12571 0.22367 177 4YY 0.00181 0.14386 0.22151 -0.14328 -0.48571 178 4ZZ 0.12306 0.02047 0.01138 0.04518 0.40144 179 4XY 0.15344 0.07691 0.14292 -0.07913 0.24944 180 4XZ -0.09574 -0.22967 0.22646 -0.12547 -0.14438 181 4YZ 0.16498 0.17642 0.08258 -0.02250 -0.24263 182 18 H 1S -0.14409 -0.03168 -0.24309 0.12549 0.19411 183 2S 0.00507 0.10747 0.02529 -0.04665 -0.08063 184 19 H 1S 0.21981 0.25297 0.05673 -0.01535 0.03795 185 2S -0.04324 -0.13869 -0.07444 -0.00751 -0.24039 156 157 158 159 160 V V V V V Eigenvalues -- 2.33967 2.38322 2.40618 2.41981 2.48034 1 1 S 1S -0.00212 -0.00799 -0.01713 -0.00675 0.00787 2 2S 0.06683 0.06891 0.03484 0.05096 -0.03202 3 2PX -0.02629 -0.03454 -0.04159 -0.02601 0.01819 4 2PY -0.02306 -0.04722 0.00896 -0.04112 0.00693 5 2PZ -0.01556 -0.02875 0.04192 -0.03875 0.02850 6 3S 0.08967 -0.09975 -0.53051 -0.07981 0.19179 7 3PX 0.08510 0.16935 0.26984 0.14679 -0.09055 8 3PY 0.10703 0.22989 -0.04229 0.18541 -0.00111 9 3PZ 0.14535 0.16568 -0.24124 0.19955 -0.14493 10 4S -1.02748 -1.08944 -0.46397 -0.79018 0.13500 11 4PX 0.48975 0.47055 0.25579 0.37573 -0.03979 12 4PY 0.06559 -0.00524 0.00223 0.01844 0.04899 13 4PZ -0.00437 -0.05198 0.08811 0.13853 -0.05501 14 5XX 0.03938 0.04565 0.03090 0.05192 -0.02709 15 5YY 0.04531 -0.06494 0.15752 -0.04940 -0.00544 16 5ZZ 0.05262 0.16984 0.05423 0.05719 -0.07623 17 5XY -0.10070 -0.18780 0.02118 -0.17098 0.06466 18 5XZ -0.05712 -0.09418 0.14319 -0.15159 0.06508 19 5YZ -0.09981 -0.10630 0.05024 -0.10824 0.00467 20 2 O 1S -0.00073 -0.00060 -0.00598 0.00069 0.00557 21 2S -0.19782 -0.18159 -0.08323 -0.17476 0.04006 22 2PX 0.03719 0.03041 0.01383 0.02241 0.01223 23 2PY 0.04253 0.02338 0.01042 0.01684 -0.00796 24 2PZ -0.02575 -0.01128 0.01374 -0.01331 -0.01745 25 3S 0.46645 0.46192 0.28091 0.42685 -0.17798 26 3PX -0.14286 -0.11652 -0.06654 -0.09527 -0.02735 27 3PY -0.13722 -0.11626 -0.08546 -0.11671 0.09170 28 3PZ 0.06782 0.06514 -0.00858 0.04113 0.01374 29 4XX -0.01679 0.02740 -0.02688 0.00002 0.05983 30 4YY -0.04026 -0.05958 0.03549 0.00250 -0.09399 31 4ZZ 0.01779 0.01384 -0.06253 -0.00533 0.07103 32 4XY 0.08013 0.04772 0.02186 0.02550 0.00857 33 4XZ -0.04094 0.02033 -0.00988 -0.00081 -0.04616 34 4YZ 0.03679 -0.01990 -0.01375 0.01924 0.02866 35 3 O 1S -0.00850 -0.02332 -0.01227 -0.01635 -0.00173 36 2S -0.46382 -0.67943 -0.03466 -0.39855 0.23128 37 2PX -0.02409 -0.01588 -0.09526 -0.05148 -0.02426 38 2PY -0.05254 -0.07332 -0.04691 -0.13738 0.00277 39 2PZ -0.07742 -0.09745 0.04288 0.02312 0.03137 40 3S 1.07649 1.82173 0.90442 1.09372 -0.29627 41 3PX 0.13912 -0.06844 -0.09122 0.03332 0.01681 42 3PY 0.25700 0.35892 0.13585 0.62893 -0.03087 43 3PZ 0.36941 0.59170 0.21755 0.06979 -0.06381 44 4XX -0.23802 -0.08303 -0.21367 0.10957 0.09496 45 4YY 0.01616 -0.17928 0.01202 0.04045 -0.10468 46 4ZZ 0.13187 0.07946 0.16057 -0.25172 0.01004 47 4XY 0.13358 0.13393 -0.12729 0.00228 -0.19228 48 4XZ -0.15748 -0.02143 0.00694 0.21785 -0.01356 49 4YZ 0.18536 0.32118 -0.04098 0.37871 -0.02361 50 4 C 1S -0.01481 0.02333 -0.00363 0.03537 -0.01440 51 2S -0.13242 0.32957 0.08138 -0.35047 -0.08229 52 2PX 0.04485 -0.02840 0.07105 -0.07719 0.01300 53 2PY 0.01480 0.03348 0.07442 -0.22668 -0.04621 54 2PZ 0.11216 -0.09875 -0.09340 0.01822 -0.09190 55 3S 0.57900 -1.09366 2.17899 -0.45154 0.64451 56 3PX -0.01656 -0.08915 0.29191 0.00939 0.37803 57 3PY 0.06786 -0.93750 1.08383 0.46530 0.46975 58 3PZ -0.28575 -0.18306 -0.41294 0.28431 -0.01827 59 4XX -0.24264 0.09435 0.40367 0.26574 0.16481 60 4YY 0.14392 0.00225 -0.11460 -0.00207 -0.07320 61 4ZZ 0.14796 -0.13891 -0.26848 -0.18367 -0.12847 62 4XY 0.04969 0.01916 0.30203 -0.11346 0.32610 63 4XZ -0.00105 -0.13290 0.13839 -0.03915 0.28829 64 4YZ -0.05837 -0.17439 -0.27835 0.29237 -0.10193 65 5 C 1S 0.00560 0.01469 0.06720 0.00070 0.00504 66 2S -0.09578 0.36902 1.38687 0.49535 -0.06866 67 2PX -0.09061 -0.04898 0.21382 0.02977 0.13041 68 2PY 0.01860 -0.04585 0.11210 0.06087 -0.05242 69 2PZ -0.02211 0.17870 0.11358 0.12024 -0.03387 70 3S 0.16584 -0.98882 -4.98400 -0.89155 -0.13953 71 3PX -0.42082 -0.54001 -0.26946 0.54319 -0.43573 72 3PY 0.55568 -0.58553 -2.06612 -1.00407 -0.49379 73 3PZ -0.15217 -0.38654 -1.60073 0.44134 -0.60524 74 4XX -0.06026 0.11733 -0.13806 0.04051 0.13752 75 4YY 0.09826 -0.22009 -0.03193 -0.44790 -0.11234 76 4ZZ -0.02826 -0.02711 -0.08141 0.30394 -0.00261 77 4XY -0.34991 -0.37196 0.01764 -0.04890 -0.00708 78 4XZ -0.31473 -0.08484 -0.00271 0.22356 0.10185 79 4YZ -0.22863 -0.10424 -0.14896 -0.04864 0.18998 80 6 C 1S 0.01698 -0.02828 0.00389 -0.01257 -0.06491 81 2S -0.08822 -0.53094 -0.17420 0.18708 -0.45940 82 2PX -0.11805 0.17795 0.05706 0.18643 -0.06919 83 2PY 0.09776 0.07364 -0.01494 -0.13058 0.02178 84 2PZ 0.04791 0.15555 0.03301 0.08194 -0.04243 85 3S -0.49133 1.44781 0.92140 0.04717 3.49907 86 3PX -0.48488 1.83936 2.90962 -0.25401 1.30372 87 3PY 0.58307 0.72512 -2.12459 -0.93742 1.64939 88 3PZ -0.03759 1.71024 0.55815 -0.83741 1.86643 89 4XX 0.18533 -0.06708 -0.03237 0.21194 0.07411 90 4YY 0.11120 -0.17678 0.06987 -0.14067 0.12282 91 4ZZ -0.23490 0.16873 -0.00364 -0.17126 -0.17723 92 4XY 0.19973 -0.07868 0.03223 0.10654 -0.04587 93 4XZ -0.03534 -0.01011 -0.08727 -0.15503 0.15698 94 4YZ 0.01177 0.21824 -0.22517 0.15710 0.40883 95 7 C 1S -0.00857 0.01864 0.01291 0.00933 0.02152 96 2S -0.21591 0.27963 0.06470 -0.14296 0.47894 97 2PX 0.04297 0.02059 -0.09965 -0.10834 0.12952 98 2PY -0.10127 0.10020 0.03148 0.11380 0.11969 99 2PZ 0.02842 0.06726 -0.03817 0.01046 0.16003 100 3S -0.02110 -1.31936 -1.76401 0.11967 -1.93592 101 3PX 0.98797 0.41486 -2.94367 -0.78907 1.03967 102 3PY -1.04615 1.76241 1.83872 -0.51291 2.40153 103 3PZ 0.11069 1.07882 -0.87683 -0.89302 1.99960 104 4XX 0.28933 -0.27854 -0.03746 0.08118 0.13868 105 4YY -0.13200 -0.01654 0.10342 -0.00101 -0.04208 106 4ZZ -0.22204 0.29170 -0.08536 -0.00585 -0.12251 107 4XY 0.01659 -0.13987 0.05550 0.03257 -0.08535 108 4XZ -0.23348 0.04351 0.04052 -0.27779 -0.23813 109 4YZ 0.14425 -0.25154 0.08104 0.14522 0.02894 110 8 C 1S 0.01454 -0.00647 -0.07284 -0.04235 0.00533 111 2S 0.29788 -0.06393 -1.32334 -0.32728 0.18091 112 2PX 0.00397 -0.02584 -0.07035 -0.04229 -0.05182 113 2PY -0.04966 0.05372 0.21247 0.01125 -0.01141 114 2PZ -0.02679 -0.04503 0.18007 -0.00217 -0.01682 115 3S -1.05081 0.01784 5.06474 1.72325 -0.36700 116 3PX 0.53608 0.33475 -1.84078 -0.63220 0.29324 117 3PY 0.08577 -0.14620 -1.08057 -0.12409 -0.92934 118 3PZ 0.19701 -0.32484 -1.90364 -0.18488 -0.00571 119 4XX 0.14068 -0.32669 0.30307 0.18790 -0.08005 120 4YY -0.14631 0.03355 -0.10479 0.16605 0.01513 121 4ZZ -0.05299 0.30057 0.03023 -0.32590 0.04180 122 4XY -0.04754 0.02431 -0.15316 -0.06981 0.47776 123 4XZ -0.38326 0.20633 -0.02493 0.11453 -0.22977 124 4YZ -0.21319 -0.03845 -0.25856 -0.04284 0.07220 125 9 C 1S 0.00202 -0.02584 0.00390 -0.00968 0.00797 126 2S -0.12632 -0.24233 -0.02932 -0.12230 -0.03684 127 2PX 0.05406 -0.06122 -0.08097 0.00036 -0.00749 128 2PY 0.01921 -0.15391 -0.13523 -0.07780 0.02621 129 2PZ 0.07049 -0.01691 0.06681 0.04773 0.07411 130 3S 0.26552 1.47366 -1.94433 -0.36737 -0.89341 131 3PX 0.07709 -0.44190 0.30432 0.10992 -0.18652 132 3PY 0.13986 0.02244 -0.12881 -0.39140 -0.08660 133 3PZ -0.08600 -0.81848 1.29137 0.05266 0.23485 134 4XX -0.07987 -0.04299 0.23099 -0.16434 0.36674 135 4YY -0.16309 0.00437 -0.12287 0.04390 -0.13038 136 4ZZ 0.28247 0.08299 -0.08575 0.07168 -0.25731 137 4XY -0.00574 -0.04474 0.29398 0.15985 0.41420 138 4XZ -0.08919 0.15956 0.32367 0.09151 0.09248 139 4YZ -0.15728 -0.03290 -0.33859 0.34594 -0.02503 140 10 H 1S -0.14233 -0.12007 0.01081 0.18709 0.01311 141 2S 0.05916 -0.24922 0.24870 0.13125 0.14084 142 11 H 1S 0.26022 0.18519 0.02446 0.07769 -0.20838 143 2S -0.01566 -0.31432 -0.55839 -0.01689 -0.23661 144 12 H 1S 0.27250 -0.10129 0.23133 -0.01545 -0.00904 145 2S -0.16815 0.12616 0.52211 0.05227 0.21058 146 13 H 1S -0.16882 -0.04777 -0.19025 -0.00085 0.14221 147 2S 0.08721 0.25608 -0.25159 -0.05409 -0.04241 148 14 C 1S 0.00066 -0.03722 -0.01653 -0.00209 0.00807 149 2S -0.03958 -0.09638 0.08747 -0.03334 0.00799 150 2PX 0.00063 0.06386 0.13459 0.00527 -0.05042 151 2PY 0.03771 -0.00715 -0.00966 0.02536 0.00719 152 2PZ -0.02902 0.05791 0.08697 -0.02617 -0.05796 153 3S -0.16482 1.74577 1.93435 -0.34600 0.27332 154 3PX -0.06196 0.91345 0.52061 -0.02863 0.27193 155 3PY -0.03076 -0.28634 0.41716 0.05856 -0.51538 156 3PZ -0.08916 0.37860 0.63157 -0.05910 -0.16274 157 4XX 0.21925 0.27995 0.01918 0.16488 0.05497 158 4YY -0.00119 -0.14521 -0.11624 -0.11263 0.02831 159 4ZZ -0.20945 -0.22195 0.04693 -0.04171 -0.08956 160 4XY -0.12244 -0.24939 0.04333 0.35585 -0.00829 161 4XZ -0.18452 0.35313 0.23090 0.07222 -0.16605 162 4YZ -0.02005 -0.08364 0.10042 0.22969 -0.05565 163 15 H 1S -0.11472 -0.15488 -0.03731 0.20111 0.03153 164 2S 0.02917 0.27367 -0.21597 -0.06147 0.31984 165 16 H 1S 0.13208 0.03248 -0.08819 -0.19190 0.02985 166 2S -0.09595 -0.00119 0.21553 0.10507 -0.12319 167 17 C 1S -0.02455 0.01678 0.00267 -0.00576 0.01944 168 2S -0.10586 0.04187 -0.14906 -0.06840 -0.02026 169 2PX 0.02753 -0.00714 -0.06583 -0.00079 -0.02349 170 2PY -0.03321 -0.00372 0.09395 0.05257 0.10354 171 2PZ -0.04195 0.01795 0.01599 -0.00237 0.01459 172 3S 1.29244 -0.93527 -1.27271 0.32310 -1.17370 173 3PX 0.28745 -0.52119 0.33475 0.28739 -0.74788 174 3PY -0.54354 0.42536 0.53954 0.01996 0.40228 175 3PZ -0.18622 -0.02356 0.49767 0.16385 -0.32372 176 4XX -0.08893 -0.06928 0.18543 0.12798 -0.14429 177 4YY 0.04025 0.08565 -0.11873 -0.19450 -0.08916 178 4ZZ 0.00089 0.04312 -0.03249 0.04468 0.27808 179 4XY -0.23327 0.34224 -0.16977 -0.06144 0.38215 180 4XZ -0.06925 0.00737 0.03680 0.04301 -0.08073 181 4YZ 0.33728 -0.03038 -0.23792 0.07393 0.25312 182 18 H 1S -0.12730 -0.06268 0.12724 -0.04991 -0.13381 183 2S 0.06603 0.04874 -0.30252 -0.12370 0.24261 184 19 H 1S 0.01138 0.13416 -0.07283 -0.06443 0.17126 185 2S 0.00793 -0.29941 0.27592 0.12020 -0.38402 161 162 163 164 165 V V V V V Eigenvalues -- 2.48600 2.51191 2.55784 2.57155 2.65643 1 1 S 1S 0.01536 -0.00262 0.00109 0.01261 0.00622 2 2S -0.08668 0.00698 -0.09189 -0.03902 -0.01646 3 2PX 0.02923 -0.00483 0.02744 0.02103 0.03293 4 2PY 0.03271 -0.00738 0.01981 0.03316 -0.00045 5 2PZ 0.05244 -0.01254 0.03397 0.04244 -0.02266 6 3S 0.32378 -0.08688 -0.20635 0.32753 0.17748 7 3PX -0.13541 0.00861 -0.09221 -0.12758 -0.21748 8 3PY -0.10919 0.04793 -0.07860 -0.12472 -0.02545 9 3PZ -0.29351 0.06080 -0.25183 -0.18595 0.16765 10 4S 0.80732 0.13833 1.72138 0.21166 0.67695 11 4PX -0.31475 -0.08818 -0.76833 -0.08745 -0.35819 12 4PY 0.02117 0.02644 0.03892 -0.00730 0.03741 13 4PZ -0.06076 0.01327 0.11952 -0.13263 0.02522 14 5XX -0.19030 0.01069 -0.07658 -0.11672 0.07640 15 5YY 0.01849 -0.00597 0.03080 0.05444 -0.09554 16 5ZZ -0.10118 0.06531 -0.05229 -0.06966 -0.04070 17 5XY 0.13728 -0.02164 0.12608 0.10792 -0.00120 18 5XZ 0.13136 -0.06117 0.05095 0.15662 -0.04964 19 5YZ 0.16582 -0.04416 0.09172 0.14927 0.01500 20 2 O 1S 0.00396 -0.00531 0.00690 -0.00166 -0.00416 21 2S 0.21127 0.02328 0.22863 0.14009 0.10417 22 2PX -0.00494 -0.01186 -0.01109 -0.01457 -0.01341 23 2PY -0.04260 -0.00225 -0.02902 -0.02521 0.00243 24 2PZ 0.01283 -0.01503 0.00042 0.01710 0.01014 25 3S -0.54860 -0.02014 -0.71392 -0.27921 -0.24259 26 3PX 0.05011 0.02355 0.10866 0.05515 0.09016 27 3PY 0.21747 0.02264 0.22408 0.11141 0.00848 28 3PZ -0.07812 0.03015 -0.08220 -0.05128 -0.03920 29 4XX 0.09144 -0.04492 0.06152 0.02980 -0.02365 30 4YY -0.07475 -0.03926 -0.03490 -0.03000 0.02903 31 4ZZ 0.02341 0.03083 0.01950 -0.00514 -0.03653 32 4XY -0.03434 0.01509 -0.05234 -0.03721 -0.03777 33 4XZ -0.02064 -0.01101 -0.03766 0.01256 0.01744 34 4YZ 0.05818 -0.01583 0.00740 0.03228 -0.04461 35 3 O 1S 0.02148 0.01380 0.00820 -0.00785 0.02347 36 2S 0.38345 0.07385 0.65482 0.24345 0.29463 37 2PX 0.08290 -0.03704 0.02865 0.03707 0.01565 38 2PY 0.07198 0.00740 0.09957 0.04426 0.03976 39 2PZ 0.03438 -0.02587 0.08970 0.00786 -0.02148 40 3S -1.09400 -0.50958 -1.85078 -0.41458 -1.68817 41 3PX -0.16160 0.30930 0.01429 -0.13909 0.44739 42 3PY -0.31156 -0.00451 -0.52279 -0.17760 -0.17143 43 3PZ -0.28497 -0.05078 -0.61475 -0.03620 -0.39053 44 4XX 0.04486 -0.26895 0.22043 -0.10484 0.07398 45 4YY -0.11886 0.18513 -0.06213 -0.19666 0.06847 46 4ZZ 0.21782 0.17778 -0.11339 0.21306 -0.01589 47 4XY -0.46838 0.13287 -0.05457 -0.39989 0.10838 48 4XZ -0.22251 0.06482 -0.02406 -0.27113 0.11613 49 4YZ -0.20755 -0.03418 -0.17074 -0.18694 -0.01090 50 4 C 1S 0.02133 0.02588 0.02664 0.03831 0.09117 51 2S 0.07611 0.23434 -0.25958 0.08532 0.32301 52 2PX 0.02142 0.09517 0.04921 -0.06769 -0.05440 53 2PY -0.04259 0.05678 -0.10963 -0.14737 -0.16120 54 2PZ 0.06340 0.22837 0.22383 -0.14051 0.01058 55 3S -1.02841 -1.09617 -0.28160 -1.82124 -5.45283 56 3PX 0.10360 -0.09639 0.07885 -0.13389 -0.60224 57 3PY -0.46274 -0.67120 -0.07063 -0.79951 -3.10997 58 3PZ 0.52766 0.36619 0.22654 0.02047 0.51968 59 4XX 0.03641 0.08502 0.16686 0.12471 0.51294 60 4YY 0.04505 0.06476 0.20924 -0.22810 -0.38465 61 4ZZ -0.08718 -0.17413 -0.24571 0.08495 -0.06693 62 4XY 0.07852 0.02578 0.01590 -0.11759 -0.33249 63 4XZ -0.19701 -0.15147 0.02741 -0.31849 -0.06061 64 4YZ 0.19185 0.22450 -0.01131 -0.03901 -0.01553 65 5 C 1S -0.04860 -0.04229 -0.05860 -0.02684 -0.10089 66 2S -0.24577 -0.05850 -0.82914 -0.08969 -1.36615 67 2PX 0.01188 0.07899 -0.07574 0.01815 -0.04943 68 2PY 0.01662 -0.01421 -0.05272 0.00314 -0.13359 69 2PZ 0.04295 0.06421 -0.06925 0.05156 -0.01985 70 3S 1.95265 1.18612 3.09828 1.08222 6.07630 71 3PX -0.07146 0.51612 0.06326 -0.15168 0.73641 72 3PY 0.21458 0.39292 1.28243 -0.05336 2.13765 73 3PZ 0.59056 0.63455 0.86869 0.19390 1.85088 74 4XX -0.01926 -0.27264 0.09339 -0.13012 0.18339 75 4YY -0.22549 -0.04049 0.06854 -0.24912 0.05564 76 4ZZ 0.24389 0.29799 0.01965 0.33096 0.06112 77 4XY -0.25686 0.10340 -0.33356 -0.10765 -0.16763 78 4XZ -0.23905 -0.06978 0.17621 -0.26264 0.20523 79 4YZ -0.07360 -0.36099 -0.33858 0.17453 -0.19311 80 6 C 1S 0.02081 0.00946 0.01803 0.01079 -0.01026 81 2S 0.12036 -0.08422 0.06167 0.07655 -0.07782 82 2PX -0.01084 -0.21411 -0.01333 0.00513 -0.28672 83 2PY 0.01925 -0.12377 0.12479 -0.06323 0.13935 84 2PZ -0.05293 -0.20662 0.05167 -0.03091 -0.12576 85 3S -0.88448 -0.52537 -0.59732 -0.70527 -0.05922 86 3PX -0.49139 -0.53676 -0.75611 -0.35918 -1.82447 87 3PY 0.50561 -0.47058 1.71328 0.02654 1.92129 88 3PZ -0.06052 -0.52818 0.69568 -0.09294 0.28820 89 4XX -0.17178 0.07245 0.11137 0.39642 0.10348 90 4YY -0.29286 0.00904 0.07065 -0.11103 -0.11312 91 4ZZ 0.48181 0.04023 -0.15570 -0.30738 0.12440 92 4XY -0.15760 0.11438 0.21778 0.15630 0.00417 93 4XZ -0.00084 0.23983 -0.02009 -0.27859 0.45203 94 4YZ -0.01423 -0.07229 -0.04661 0.11254 -0.13975 95 7 C 1S 0.01287 -0.05476 0.06533 -0.02379 0.00950 96 2S 0.09889 -0.22770 0.42274 -0.10967 0.38010 97 2PX -0.02936 0.05040 0.01501 0.01170 -0.09200 98 2PY -0.01010 0.17528 -0.07773 -0.01827 0.12117 99 2PZ -0.00193 0.12146 -0.09462 -0.00864 0.02276 100 3S -0.44733 2.35428 -2.47950 0.99583 0.84455 101 3PX -0.16536 -0.18561 0.14849 0.56818 1.20404 102 3PY -0.26031 -0.18586 0.43864 -0.53056 0.47135 103 3PZ -0.11193 -0.25874 0.51049 -0.05406 0.89639 104 4XX -0.01103 -0.11587 -0.23388 -0.01209 -0.01647 105 4YY -0.33822 0.25008 0.24182 0.19627 0.11499 106 4ZZ 0.36064 -0.10702 0.00285 -0.19134 -0.09911 107 4XY -0.21025 -0.03269 0.23725 0.12064 -0.20201 108 4XZ -0.18416 0.36812 -0.15047 0.33857 -0.21304 109 4YZ 0.29423 0.25251 -0.41590 -0.11530 0.04242 110 8 C 1S -0.01221 -0.00067 -0.03239 0.03400 0.07992 111 2S 0.02148 0.23284 0.23493 0.08694 1.11098 112 2PX -0.01902 0.04560 -0.12749 0.09252 -0.03085 113 2PY 0.02338 -0.17282 -0.07952 0.05319 0.06831 114 2PZ 0.01152 0.03614 0.01378 -0.02043 -0.23365 115 3S -0.05790 -0.37055 0.68129 -1.55596 -4.80360 116 3PX -0.19007 0.28450 -0.52914 0.53137 0.93082 117 3PY -0.12657 -0.30939 -0.78997 0.43474 1.68900 118 3PZ -0.01956 0.47302 0.17936 0.21300 1.00391 119 4XX 0.01586 -0.34782 -0.06960 -0.03555 0.17129 120 4YY 0.13663 0.27445 0.28243 -0.15413 -0.49777 121 4ZZ -0.20725 0.02467 -0.32526 0.22655 0.11104 122 4XY -0.08639 0.17758 -0.16641 -0.00885 -0.12976 123 4XZ -0.02319 -0.08421 0.11421 -0.11776 -0.02060 124 4YZ -0.21235 -0.29881 -0.41972 0.17347 -0.00682 125 9 C 1S 0.01362 0.03510 0.05677 -0.05203 -0.09464 126 2S -0.19197 0.02105 0.25037 -0.06932 -0.36606 127 2PX 0.01882 0.00701 -0.05140 -0.04409 -0.08043 128 2PY -0.12004 -0.12073 -0.19535 -0.04454 -0.02917 129 2PZ 0.08167 0.07297 -0.00255 -0.13091 -0.18649 130 3S 0.13887 -0.17032 -1.53806 1.98825 5.64444 131 3PX -0.10226 -0.05429 0.03601 -0.35625 -0.91929 132 3PY 0.10107 -0.29896 -0.50143 0.04991 0.61389 133 3PZ -0.24567 -0.08818 0.83958 -0.99801 -2.82496 134 4XX 0.02578 0.20428 0.38495 -0.34519 -0.40109 135 4YY 0.02244 -0.38850 -0.18491 0.16577 0.06661 136 4ZZ 0.01431 0.19195 -0.15316 0.14525 0.34077 137 4XY -0.08165 -0.13505 -0.09573 0.10808 0.16315 138 4XZ 0.04886 -0.09076 0.01552 0.21273 0.39414 139 4YZ 0.10037 0.02626 0.25711 0.11457 -0.15737 140 10 H 1S -0.01423 -0.04030 -0.09798 0.12355 0.14067 141 2S -0.11752 -0.20946 0.02574 -0.18004 -0.80494 142 11 H 1S 0.03849 0.14108 0.17053 -0.11980 0.06176 143 2S -0.05341 0.16627 0.22072 -0.13620 0.50603 144 12 H 1S 0.16735 0.05987 0.24244 -0.03285 0.09244 145 2S 0.01805 -0.05942 0.01765 -0.03369 -0.39417 146 13 H 1S 0.02313 -0.05265 0.08234 -0.07745 -0.20241 147 2S 0.08921 0.02727 -0.27286 0.26216 0.75986 148 14 C 1S -0.00056 0.01257 -0.00616 -0.00255 0.02117 149 2S -0.02595 -0.08234 -0.03751 -0.00750 -0.13573 150 2PX -0.04102 -0.14287 0.00449 0.04987 -0.28939 151 2PY -0.01849 0.00010 0.03171 0.01790 0.02041 152 2PZ 0.03509 -0.08479 -0.01579 -0.05218 -0.14157 153 3S -0.08247 -0.48200 -0.04029 -0.01669 -1.32438 154 3PX -0.02829 -0.20661 0.16263 0.04397 -0.34351 155 3PY -0.21458 0.09685 -0.64505 0.12223 -0.59527 156 3PZ -0.09582 -0.10423 -0.37789 -0.05382 -0.65124 157 4XX -0.20879 -0.26688 0.19498 0.29358 -0.26100 158 4YY 0.09530 0.04825 -0.00412 -0.03050 0.20534 159 4ZZ 0.11547 0.22006 -0.20356 -0.26199 0.04149 160 4XY -0.07594 0.35908 -0.15932 0.13923 -0.11002 161 4XZ 0.11079 -0.06694 -0.11495 -0.13378 -0.31434 162 4YZ -0.08751 0.22377 -0.00887 0.12785 -0.04223 163 15 H 1S 0.00542 0.19186 -0.03757 -0.01164 0.01241 164 2S 0.05866 -0.08884 0.28775 -0.03729 0.30437 165 16 H 1S -0.04258 -0.21299 0.00358 -0.00149 -0.00419 166 2S -0.08412 0.10677 -0.28655 0.02684 -0.25770 167 17 C 1S -0.00392 0.02641 -0.01844 0.00436 0.03002 168 2S -0.01243 -0.03685 0.02675 0.02794 0.05393 169 2PX 0.03073 -0.09605 -0.00499 -0.01730 -0.05788 170 2PY 0.01810 0.16153 -0.11922 -0.03797 0.16086 171 2PZ -0.06716 0.05867 0.01018 0.02996 0.02139 172 3S 0.29687 -0.86236 0.54573 0.16802 -0.75148 173 3PX 0.26956 0.09603 0.10287 -0.09004 -0.65377 174 3PY -0.02515 0.34936 -0.17907 -0.13531 0.34336 175 3PZ 0.02519 0.26677 -0.04219 0.00776 -0.17790 176 4XX 0.19588 -0.16306 -0.09421 -0.15244 0.07790 177 4YY -0.25367 0.00770 0.21076 0.20647 -0.26726 178 4ZZ 0.04558 0.19366 -0.16723 -0.03796 0.18972 179 4XY -0.10911 0.44831 -0.03441 0.08325 0.20190 180 4XZ -0.17226 -0.05359 0.16304 0.07674 0.03263 181 4YZ 0.25407 0.04160 -0.04982 -0.18961 -0.13611 182 18 H 1S -0.03982 -0.16483 -0.06556 0.03012 0.09327 183 2S -0.07202 0.01883 -0.02838 0.03949 0.09207 184 19 H 1S 0.00875 0.28155 -0.06143 0.02671 -0.05268 185 2S 0.07728 0.09414 -0.02350 -0.02256 -0.23458 166 167 168 169 170 V V V V V Eigenvalues -- 2.68109 2.75085 2.75670 2.82141 2.82821 1 1 S 1S 0.01113 0.00291 -0.00326 0.00895 -0.02381 2 2S -0.00994 -0.00055 0.02620 -0.00030 0.02345 3 2PX 0.01818 -0.01532 -0.00548 -0.00730 0.01114 4 2PY -0.00882 -0.06863 0.00974 -0.07402 0.17016 5 2PZ -0.00734 0.04270 -0.01039 0.03475 -0.08710 6 3S 0.36538 0.06165 -0.05080 0.26024 -0.66974 7 3PX -0.15777 0.12438 0.01185 0.03367 -0.04580 8 3PY 0.06592 0.47952 -0.07234 0.54167 -1.24261 9 3PZ 0.05625 -0.32412 0.08772 -0.26388 0.64721 10 4S 0.35041 -0.01245 -0.39796 0.44473 -1.00796 11 4PX -0.17416 0.10771 0.14215 -0.11216 0.27331 12 4PY -0.00876 0.17048 -0.05079 0.05820 -0.24002 13 4PZ -0.04274 -0.08383 -0.08726 -0.11330 0.05808 14 5XX -0.03988 -0.06687 0.05511 -0.12687 0.29221 15 5YY -0.00676 0.20838 -0.01127 0.23468 -0.51289 16 5ZZ -0.02994 -0.02848 0.01662 0.01978 0.02047 17 5XY 0.04309 -0.06441 -0.01303 -0.04284 0.08091 18 5XZ -0.03366 0.03497 -0.01214 0.00578 -0.02145 19 5YZ -0.08089 -0.15368 0.01732 -0.24247 0.57237 20 2 O 1S 0.00574 0.01648 -0.00536 0.01287 -0.03180 21 2S 0.08196 0.21817 -0.09902 0.35890 -0.84528 22 2PX -0.00838 0.02410 -0.00486 -0.02558 0.02736 23 2PY 0.00305 -0.00133 -0.00073 -0.00809 0.00864 24 2PZ -0.01302 -0.00154 -0.01657 -0.00743 -0.01299 25 3S -0.27517 -0.68919 0.30246 -0.95673 2.26730 26 3PX 0.02950 -0.09017 -0.00688 0.04156 -0.04005 27 3PY 0.13145 0.39750 -0.10947 0.56017 -1.27643 28 3PZ -0.03076 -0.22826 0.10993 -0.26617 0.73632 29 4XX 0.05062 0.23406 -0.07383 0.20382 -0.57922 30 4YY -0.09258 -0.23390 0.04359 -0.32729 0.76180 31 4ZZ 0.06126 0.04784 0.00502 0.10673 -0.15558 32 4XY 0.01337 0.03252 0.00412 0.01041 -0.03930 33 4XZ -0.02934 -0.02796 0.00086 -0.00240 0.01466 34 4YZ 0.06618 0.32093 -0.06688 0.36686 -0.84493 35 3 O 1S 0.00705 -0.02882 0.00142 -0.03191 -0.00438 36 2S 0.22385 -0.31389 -0.16502 -0.34008 -0.13818 37 2PX 0.00713 -0.04600 0.00874 0.04544 0.00427 38 2PY 0.04420 0.03021 -0.02267 -0.01241 0.03331 39 2PZ 0.01273 -0.03478 -0.02817 -0.00156 -0.00214 40 3S -1.06869 1.51820 0.44181 1.08498 0.48751 41 3PX 0.23214 -0.30179 -0.13456 -0.61039 -0.22615 42 3PY -0.17385 -0.20378 0.14828 -0.11564 -0.15777 43 3PZ -0.33207 0.58432 0.14294 0.27943 0.09035 44 4XX 0.05821 -0.20785 0.01624 0.24766 0.04142 45 4YY 0.02145 -0.05913 -0.00535 -0.20206 -0.05549 46 4ZZ -0.05356 0.12107 0.01971 -0.19848 0.02232 47 4XY 0.14268 0.27068 -0.00108 0.14588 0.03823 48 4XZ 0.11700 -0.18259 -0.04911 -0.20125 -0.19049 49 4YZ -0.09349 -0.19179 0.06263 0.04444 -0.17113 50 4 C 1S 0.06454 0.02530 -0.00009 -0.00720 0.02125 51 2S 0.29207 0.23010 0.05741 -0.26084 0.02812 52 2PX 0.04538 -0.09699 0.03362 -0.17205 -0.10235 53 2PY -0.02882 -0.10319 0.02201 -0.23650 -0.16097 54 2PZ 0.14826 -0.28090 0.13005 -0.30961 -0.21290 55 3S -3.56065 0.28697 0.12215 0.09692 -0.99589 56 3PX -0.25593 -0.03375 0.14365 -0.36400 -0.24546 57 3PY -1.96758 0.03002 0.31318 0.17696 -0.58682 58 3PZ 0.69769 -0.64563 0.31550 -1.00896 -0.47743 59 4XX 0.38815 0.05797 0.00263 0.00189 0.07247 60 4YY -0.26936 -0.19103 0.11735 -0.10226 -0.08315 61 4ZZ -0.06274 -0.04739 -0.18119 -0.00853 -0.09517 62 4XY -0.05568 -0.12345 0.10108 -0.33665 -0.17086 63 4XZ 0.03420 -0.40996 0.02129 -0.01991 -0.21626 64 4YZ 0.28208 -0.30712 0.21721 -0.60442 -0.34420 65 5 C 1S -0.05936 0.08983 0.02379 0.03942 0.01929 66 2S -0.93727 0.78440 0.14522 0.25590 -0.03740 67 2PX -0.02908 0.11711 0.07675 -0.32023 -0.08529 68 2PY -0.16016 -0.15846 -0.13317 0.10509 -0.07083 69 2PZ -0.00171 0.18802 0.09262 0.03605 0.05876 70 3S 3.71048 -4.09994 -1.00614 -1.59452 -0.41001 71 3PX 0.75988 -0.75990 0.27546 -0.34941 -0.21669 72 3PY 1.10492 -1.64630 -0.85627 0.17731 0.08845 73 3PZ 1.56976 -1.37623 0.04833 -0.16113 -0.05502 74 4XX 0.01686 -0.43408 -0.01948 -0.12700 -0.15383 75 4YY -0.04878 -0.00109 -0.34783 0.32848 0.14054 76 4ZZ 0.28836 0.27633 0.33558 -0.31780 0.02967 77 4XY 0.05072 0.41800 0.20427 -0.28630 -0.00949 78 4XZ 0.26223 0.08218 0.18894 0.13476 0.04091 79 4YZ -0.10798 -0.09371 -0.17372 0.15441 -0.01378 80 6 C 1S 0.05061 -0.10897 -0.04356 0.07135 0.00559 81 2S -0.24571 -0.43315 0.19109 0.47428 -0.14450 82 2PX 0.24878 -0.00403 0.01249 0.02711 0.01631 83 2PY -0.02491 -0.01780 0.02003 -0.02516 -0.02051 84 2PZ 0.12951 0.00067 0.02361 -0.00931 0.01374 85 3S -2.75402 4.53083 0.74096 -2.73608 -0.12349 86 3PX -0.08868 2.65769 0.17503 -1.44895 0.21104 87 3PY 0.27284 -0.03954 -0.91268 -1.22638 -0.00457 88 3PZ 0.26521 1.66482 -0.50220 -1.59594 0.09949 89 4XX -0.36774 -0.19599 0.23672 -0.00162 -0.08827 90 4YY 0.29204 0.36556 0.00014 -0.19007 0.12101 91 4ZZ 0.15669 -0.25137 -0.32164 0.13684 0.00585 92 4XY 0.02302 -0.32520 -0.52521 0.04389 -0.04032 93 4XZ -0.36459 0.26878 0.00025 -0.13960 -0.06795 94 4YZ -0.11703 0.32084 -0.14486 -0.41969 -0.04968 95 7 C 1S -0.01244 0.08821 -0.07307 -0.08743 -0.01019 96 2S -0.12123 0.24783 0.05321 -0.29974 0.02887 97 2PX 0.23969 0.07034 -0.03043 -0.05627 0.05091 98 2PY -0.39282 -0.04974 -0.00021 0.03685 -0.01760 99 2PZ -0.05659 0.01564 -0.01804 -0.01368 -0.00234 100 3S 0.63360 -4.31824 1.80892 3.35910 -0.09679 101 3PX 1.50280 -0.26097 0.45134 -0.32812 0.19827 102 3PY -1.49713 2.00893 -0.29524 -1.70626 -0.22833 103 3PZ 0.09092 1.02622 0.10730 -1.32372 -0.03243 104 4XX 0.31039 0.03514 0.27114 0.04802 0.03490 105 4YY -0.56093 -0.12234 -0.06217 0.05556 -0.10983 106 4ZZ 0.14530 0.16335 -0.30214 -0.15377 0.01111 107 4XY 0.26552 0.12062 -0.51950 -0.10425 0.06647 108 4XZ 0.30320 -0.32105 0.24788 0.28625 -0.04506 109 4YZ -0.07059 -0.26532 -0.13149 0.37647 0.12225 110 8 C 1S 0.06921 -0.05835 0.01838 -0.01476 -0.01517 111 2S 0.72286 -0.56025 -0.06987 -0.14214 -0.00621 112 2PX 0.11936 -0.11734 0.16284 0.10029 -0.02022 113 2PY -0.08338 0.07768 -0.12852 -0.17655 -0.00598 114 2PZ -0.06178 0.06409 0.09646 0.09563 -0.01381 115 3S -3.51820 2.57108 -0.37545 0.49479 0.40511 116 3PX 1.11049 -0.73706 0.61813 0.12714 0.14732 117 3PY 0.93683 -1.13558 -0.26865 -0.28178 -0.32463 118 3PZ 1.20122 -0.93288 0.34702 0.53307 0.18965 119 4XX -0.18361 0.06545 -0.39138 -0.16960 -0.07713 120 4YY -0.05858 0.13225 0.39300 0.34421 0.18364 121 4ZZ 0.14905 -0.10713 0.03709 -0.12520 -0.11520 122 4XY 0.26636 -0.03862 0.09865 0.15835 0.13812 123 4XZ -0.24435 0.10893 -0.32895 -0.17420 0.00200 124 4YZ 0.00324 -0.06973 0.01735 0.02155 -0.01917 125 9 C 1S -0.01718 -0.02412 0.01805 -0.00339 -0.00900 126 2S -0.20137 0.06603 0.00988 0.26768 0.07181 127 2PX 0.01157 -0.12356 0.02277 -0.14041 -0.10104 128 2PY 0.03933 -0.32605 -0.00135 -0.31524 -0.26990 129 2PZ -0.01134 -0.15593 0.11369 -0.20629 -0.14640 130 3S 2.73474 -0.22992 -0.72451 -0.00134 0.67687 131 3PX -0.47094 -0.13406 0.02317 -0.16025 -0.32781 132 3PY 0.23039 -0.65086 -0.09498 -1.06412 -0.67766 133 3PZ -1.57162 0.24582 0.13711 0.00556 -0.44369 134 4XX -0.02162 -0.13568 0.07955 0.01471 -0.02359 135 4YY -0.18982 -0.00597 -0.17046 -0.10329 0.03389 136 4ZZ 0.23206 0.13266 0.00677 0.11292 0.05355 137 4XY 0.13892 0.07570 -0.07538 0.32156 0.20995 138 4XZ 0.03461 0.25378 -0.05555 0.18146 0.13412 139 4YZ -0.11103 0.38864 0.01338 0.60137 0.42787 140 10 H 1S 0.14171 0.03362 -0.00404 -0.00436 -0.02908 141 2S -0.56952 -0.02520 0.07723 0.10514 -0.12818 142 11 H 1S 0.01773 -0.14116 -0.01283 0.07195 0.00267 143 2S 0.41146 -0.43700 -0.07053 0.03805 -0.01119 144 12 H 1S -0.03106 0.06953 -0.05786 -0.08686 -0.06178 145 2S -0.37835 0.37085 -0.03735 -0.02195 0.09104 146 13 H 1S -0.05698 -0.09275 0.02444 0.00981 0.05090 147 2S 0.40081 -0.06394 -0.02673 -0.05630 0.07942 148 14 C 1S -0.05213 0.01684 0.00730 -0.00579 -0.00495 149 2S 0.02239 0.07492 -0.07271 -0.00404 0.02931 150 2PX 0.30226 -0.00697 -0.10261 -0.00074 0.05939 151 2PY -0.04275 -0.01296 -0.01594 -0.02589 -0.01802 152 2PZ 0.20025 0.01357 -0.07771 0.00734 0.03913 153 3S 1.44241 0.73340 -0.24281 -0.57098 0.23556 154 3PX 0.75787 0.21100 -0.15838 -0.33498 0.09160 155 3PY -0.15590 -0.04481 0.44169 0.58958 0.02810 156 3PZ 0.35318 0.13492 0.15939 0.11560 0.09218 157 4XX 0.30495 -0.05239 0.04444 -0.03701 0.04672 158 4YY -0.27485 -0.00622 0.13290 0.01542 -0.04213 159 4ZZ -0.07074 0.09892 -0.17861 -0.00380 0.00156 160 4XY -0.14357 -0.02770 -0.36087 -0.06467 -0.06292 161 4XZ 0.49426 -0.09229 -0.26408 0.03746 0.06571 162 4YZ 0.00361 -0.10802 -0.19015 0.02274 -0.03004 163 15 H 1S -0.04297 0.03307 -0.25873 -0.10765 -0.02581 164 2S 0.07265 0.03235 -0.06547 -0.25603 -0.00326 165 16 H 1S -0.06738 0.06887 0.25883 0.05974 0.02382 166 2S 0.02365 0.02988 0.10536 0.13890 0.01553 167 17 C 1S -0.03033 -0.02861 0.01248 0.01526 -0.00587 168 2S 0.15804 -0.04060 -0.08916 -0.03334 -0.03269 169 2PX 0.17371 0.07143 -0.05072 -0.05876 0.01323 170 2PY -0.36088 -0.11218 0.15427 0.10944 -0.03866 171 2PZ -0.09730 -0.02292 0.05165 0.00938 -0.02333 172 3S 1.52378 0.07809 -0.25710 0.10118 0.36628 173 3PX 0.10265 -0.22966 -0.21413 0.43948 0.11211 174 3PY -0.76913 -0.18530 0.04124 0.06675 -0.11955 175 3PZ -0.33543 -0.29586 -0.12325 0.35399 -0.03547 176 4XX -0.15103 -0.04349 0.33025 0.05532 -0.02836 177 4YY 0.37748 0.12601 -0.29475 -0.12188 0.02542 178 4ZZ -0.20024 -0.11992 -0.02628 0.08945 0.01809 179 4XY -0.34835 -0.15617 -0.16988 0.08892 0.00056 180 4XZ -0.13347 0.02177 0.06081 -0.03806 -0.04851 181 4YZ 0.21018 0.15154 -0.38418 -0.05574 0.12977 182 18 H 1S 0.01283 -0.00575 0.24907 -0.03317 -0.06045 183 2S 0.15617 0.10666 0.03516 -0.13393 0.00266 184 19 H 1S 0.00829 -0.09116 -0.22862 0.08643 0.03714 185 2S -0.09063 -0.14454 0.03574 0.24330 -0.00700 171 172 173 174 175 V V V V V Eigenvalues -- 2.87488 2.91439 3.07175 3.15183 3.77330 1 1 S 1S -0.00001 0.01046 0.00566 -0.00068 -0.04110 2 2S 0.00424 -0.01454 -0.02892 0.00354 0.17295 3 2PX 0.00530 0.01732 0.01230 0.00472 0.00723 4 2PY -0.01400 -0.02022 0.01037 0.00508 -0.00906 5 2PZ -0.01352 -0.00839 -0.00180 0.00042 0.00881 6 3S -0.00148 0.33899 0.18185 -0.01532 -1.65133 7 3PX -0.05287 -0.14001 -0.06934 -0.03264 -0.07855 8 3PY 0.08071 0.13375 -0.06869 -0.04435 -0.15308 9 3PZ 0.09224 0.06361 0.01675 0.01555 -0.02367 10 4S 0.14838 0.39920 0.10105 -0.01300 -0.71878 11 4PX -0.13672 -0.22017 -0.07155 -0.01755 0.11723 12 4PY 0.10270 0.01400 -0.00086 0.02102 -0.72765 13 4PZ 0.17041 -0.00645 -0.01760 -0.07326 0.18838 14 5XX 0.04400 -0.03914 -0.03313 0.03859 0.71705 15 5YY -0.02426 0.00195 -0.09352 -0.02467 0.76531 16 5ZZ 0.02618 -0.05866 -0.10168 -0.00673 0.67960 17 5XY -0.04107 -0.02436 0.02459 -0.00936 0.04438 18 5XZ -0.07355 -0.04046 -0.00726 0.01330 0.02130 19 5YZ -0.04823 -0.05325 0.03212 0.03830 -0.03700 20 2 O 1S -0.00116 -0.00374 -0.00735 0.01132 -0.37478 21 2S 0.03305 0.16084 -0.00212 -0.05147 -0.05068 22 2PX -0.00760 -0.02302 -0.00397 0.00945 0.01209 23 2PY -0.00239 0.00091 -0.00360 -0.00107 0.16062 24 2PZ -0.00566 0.00669 -0.00106 -0.00925 -0.09130 25 3S -0.07284 -0.34345 0.05731 -0.01073 3.56490 26 3PX 0.03476 0.08617 0.01778 -0.01414 -0.03146 27 3PY 0.02973 0.15122 -0.03799 -0.04134 -0.47646 28 3PZ -0.01972 -0.11021 0.03288 0.05538 0.30211 29 4XX 0.00890 0.02751 -0.04747 0.02464 -1.29478 30 4YY -0.04134 -0.08036 0.01278 0.05733 -1.20934 31 4ZZ 0.01273 -0.01921 -0.01816 0.04017 -1.26829 32 4XY -0.01601 -0.02203 -0.00205 -0.00569 0.02490 33 4XZ -0.00825 0.02374 -0.00092 -0.00547 0.00748 34 4YZ -0.00007 0.09046 -0.03236 -0.03842 -0.04609 35 3 O 1S 0.06059 0.01488 0.00291 -0.00006 0.30251 36 2S 0.80051 0.24838 0.05536 0.01124 0.13236 37 2PX -0.04325 0.00980 0.00628 -0.01259 -0.03762 38 2PY -0.03029 0.01679 0.01527 0.01794 0.03197 39 2PZ -0.01096 -0.00806 0.00149 -0.00425 0.10209 40 3S -2.90610 -1.25800 -0.23343 -0.04088 -2.92146 41 3PX 1.57258 0.44666 0.02000 0.02478 0.29962 42 3PY 0.48562 -0.05589 -0.13949 -0.11824 0.02523 43 3PZ -0.71123 -0.28956 -0.05820 0.04537 -0.43193 44 4XX -0.53910 -0.16976 0.03843 -0.00406 0.93323 45 4YY 0.47276 0.12951 0.00433 -0.02859 1.00980 46 4ZZ 0.22083 0.07901 -0.02267 0.04918 1.00807 47 4XY -0.32323 0.06599 0.03728 0.02287 -0.12185 48 4XZ 0.71192 0.09491 -0.00547 -0.03064 0.02468 49 4YZ 0.23181 -0.01652 -0.08215 -0.01710 -0.04971 50 4 C 1S 0.01200 0.05092 -0.00354 -0.00011 0.02850 51 2S -0.19038 -0.01897 -0.07507 0.05838 -0.29637 52 2PX -0.10676 -0.00985 0.02253 -0.02531 0.02381 53 2PY -0.16848 -0.08430 -0.01372 -0.01955 -0.00899 54 2PZ -0.15528 0.03761 0.02972 -0.07587 0.07016 55 3S -1.38607 -2.65127 0.07251 -0.42214 0.14930 56 3PX -0.49362 -0.19486 0.01511 -0.02239 -0.00993 57 3PY -0.79371 -1.53902 0.01031 -0.38141 0.17597 58 3PZ -0.41697 0.66281 -0.24628 -0.20755 -0.09280 59 4XX 0.01135 0.12736 -0.01172 -0.01354 0.16164 60 4YY -0.15979 0.59045 -0.31372 0.02076 0.11150 61 4ZZ 0.20307 -0.57921 0.39693 -0.06762 0.10522 62 4XY -0.20391 0.04084 -0.03186 0.01336 0.04697 63 4XZ -0.07332 -0.35023 0.08502 -0.04977 -0.01251 64 4YZ -0.38609 -0.03010 0.04808 -0.13627 0.00209 65 5 C 1S -0.07259 -0.08854 0.00132 -0.03821 0.08852 66 2S -0.45687 -0.78640 -0.44231 0.03834 -0.69197 67 2PX 0.50681 0.03732 -0.05624 -0.11614 0.03602 68 2PY 0.14214 -0.11632 0.02469 0.10105 -0.01888 69 2PZ -0.44235 0.04393 -0.09585 0.01583 -0.03874 70 3S 3.49199 4.33507 0.74257 0.80612 0.30368 71 3PX 1.20620 0.53017 -0.26707 -0.40910 0.44631 72 3PY 1.42547 1.45246 0.63504 0.48922 0.11818 73 3PZ -0.07307 1.25152 0.06060 -0.06865 -0.17107 74 4XX 0.74005 -0.12658 -0.03023 -0.02522 0.35749 75 4YY -0.20459 0.14653 0.24325 0.12352 0.33885 76 4ZZ -0.35307 0.16350 0.01771 -0.21327 0.32590 77 4XY 0.41307 -0.01107 0.05224 -0.28742 0.01637 78 4XZ -0.59806 -0.11056 -0.05217 -0.06560 0.02534 79 4YZ -0.16862 -0.40657 0.33349 -0.03286 0.01494 80 6 C 1S 0.01501 0.04523 0.03004 -0.05751 0.04531 81 2S -0.06061 -0.05724 -0.16008 0.07588 -0.52936 82 2PX 0.01137 0.18387 0.23941 -0.11112 -0.07926 83 2PY -0.00084 0.02557 0.09260 0.17469 0.05029 84 2PZ 0.01761 0.13758 0.20476 0.02881 0.01556 85 3S -0.99518 -2.25550 -0.75310 1.59507 0.18784 86 3PX -0.99440 -1.11978 0.66824 0.01410 0.32674 87 3PY 0.60263 0.95838 0.95092 1.53061 -0.03985 88 3PZ 0.02220 0.03782 1.02170 0.97728 0.05489 89 4XX 0.01941 -0.35520 -0.51120 -0.02053 0.27187 90 4YY 0.04919 0.35911 0.46318 -0.35568 0.20103 91 4ZZ 0.02894 0.11516 0.22149 0.22196 0.19792 92 4XY -0.08312 0.16507 0.34259 0.61971 0.06846 93 4XZ -0.06491 -0.20958 -0.36477 0.59822 0.01337 94 4YZ -0.02640 0.02886 0.43565 0.34634 0.02363 95 7 C 1S 0.00339 -0.03196 -0.02571 0.05410 0.00267 96 2S -0.03823 -0.02158 0.17158 -0.06419 0.12318 97 2PX 0.01134 -0.05568 -0.02899 0.18717 0.04237 98 2PY -0.05549 0.18483 0.29095 -0.04030 0.02963 99 2PZ -0.01130 0.07650 0.14298 0.10376 0.00971 100 3S 0.41292 2.04666 0.58994 -1.56308 -0.54029 101 3PX 0.84444 1.23903 0.42248 1.28046 -0.23447 102 3PY -0.53574 -0.61809 1.11481 0.63561 0.08429 103 3PZ 0.07184 0.35859 0.92747 1.18341 0.00612 104 4XX 0.09286 0.06923 -0.10585 0.65720 -0.00088 105 4YY -0.06775 0.19030 0.34021 -0.52846 -0.10711 106 4ZZ 0.05479 -0.27036 -0.39548 0.01396 -0.01674 107 4XY -0.00297 -0.29607 -0.70158 -0.24866 0.04719 108 4XZ 0.04510 -0.10017 -0.26789 0.12883 -0.02747 109 4YZ -0.04348 0.06885 -0.15759 -0.67941 -0.06234 110 8 C 1S 0.01947 0.08182 -0.00134 0.03834 -0.01035 111 2S 0.35545 0.65728 0.38051 -0.05045 -0.13608 112 2PX 0.04947 0.07026 0.00413 0.14892 -0.01793 113 2PY -0.09157 0.09760 -0.11820 -0.06409 0.00220 114 2PZ -0.01025 -0.17867 0.03811 0.04842 0.00786 115 3S -1.22508 -3.84058 -0.57477 -0.85398 0.81673 116 3PX 0.36768 0.97737 0.45296 0.52648 -0.07023 117 3PY 0.03638 1.17674 -0.24075 -0.30218 -0.15513 118 3PZ 0.74014 0.89301 0.33262 0.25945 -0.18057 119 4XX -0.12068 0.09950 -0.21363 -0.20762 0.00416 120 4YY 0.14656 -0.18175 0.14026 0.19589 0.06712 121 4ZZ -0.08931 -0.02119 -0.11488 0.11002 0.00378 122 4XY 0.03700 0.00869 -0.19016 0.21335 0.02511 123 4XZ -0.08893 -0.13558 -0.17761 -0.17243 0.02934 124 4YZ -0.09338 0.40497 -0.25913 0.12823 -0.00536 125 9 C 1S 0.00668 -0.04813 0.01077 -0.00093 -0.01085 126 2S -0.00127 0.03961 0.06964 -0.03808 0.25970 127 2PX -0.09755 -0.02854 -0.01407 -0.02937 0.01563 128 2PY -0.20927 0.03213 0.00198 -0.07959 0.00428 129 2PZ -0.13810 -0.09956 -0.00627 -0.01868 0.02115 130 3S 1.11372 2.71976 -0.18418 0.42946 -0.48843 131 3PX -0.29544 -0.31812 -0.11527 -0.25903 -0.02367 132 3PY -0.56175 0.67308 -0.24988 -0.17006 -0.20347 133 3PZ -0.61077 -1.36136 0.13820 -0.27681 0.32078 134 4XX 0.05855 -0.24143 0.04679 0.05280 -0.05338 135 4YY -0.01308 0.68412 -0.37112 0.05227 -0.11520 136 4ZZ 0.13150 -0.55787 0.27625 -0.06833 -0.13575 137 4XY 0.11392 0.21537 -0.19984 0.06977 -0.01193 138 4XZ 0.12474 -0.16427 0.13618 0.03368 -0.00775 139 4YZ 0.38321 -0.00702 0.02086 0.10895 0.02707 140 10 H 1S 0.00612 -0.33838 0.16122 -0.06534 0.00365 141 2S -0.16885 -0.24539 -0.04545 -0.07181 0.06735 142 11 H 1S 0.08391 0.12027 -0.12785 0.05816 -0.08153 143 2S 0.06864 0.27469 0.16966 -0.02198 0.08125 144 12 H 1S 0.03555 -0.09277 0.13706 -0.07087 -0.05881 145 2S -0.14703 -0.26754 -0.12669 0.02600 0.11328 146 13 H 1S 0.01670 0.31775 -0.16253 0.06231 0.02687 147 2S 0.12093 0.17711 0.02105 0.05225 -0.10825 148 14 C 1S -0.00382 -0.01862 -0.02159 0.00773 0.00081 149 2S -0.01876 0.06145 0.22441 -0.11457 -0.01553 150 2PX 0.01932 0.19863 0.35452 -0.19686 -0.02329 151 2PY 0.00499 -0.02002 -0.01011 0.08533 0.01711 152 2PZ -0.01640 0.13032 0.21856 -0.07785 -0.02752 153 3S -0.30145 0.09817 1.08456 -0.17684 0.15985 154 3PX 0.00426 0.31908 0.59262 -0.05386 0.01626 155 3PY -0.22295 -0.33990 -0.41955 -0.52089 -0.03620 156 3PZ -0.11672 -0.04367 0.13570 -0.35572 0.06481 157 4XX 0.04646 0.21113 0.24209 -0.26820 -0.02822 158 4YY 0.02613 -0.17553 -0.24321 0.04235 0.01360 159 4ZZ -0.06715 0.00979 0.03327 0.18425 -0.00415 160 4XY -0.07658 -0.04110 0.10494 0.38588 0.01996 161 4XZ 0.02723 0.26005 0.35533 -0.03392 -0.00891 162 4YZ -0.07661 -0.02369 0.00424 0.22650 0.00707 163 15 H 1S -0.01110 0.04082 0.10423 0.22519 0.00438 164 2S 0.11705 0.20535 0.19016 0.09380 -0.00057 165 16 H 1S 0.01611 -0.04046 -0.08758 -0.23645 -0.00987 166 2S -0.06356 -0.06168 -0.07880 -0.14852 0.00125 167 17 C 1S -0.00465 0.01646 0.02012 -0.00823 -0.01677 168 2S 0.05396 -0.01851 -0.21870 0.11793 0.08004 169 2PX 0.02058 -0.06868 -0.15132 0.14749 0.02653 170 2PY -0.05807 0.18004 0.36380 -0.17562 -0.03924 171 2PZ -0.01272 0.03794 0.10369 0.00273 -0.01026 172 3S 0.47143 -0.07618 -1.02088 0.23361 0.14162 173 3PX -0.03843 -0.42543 -0.52437 -0.40597 0.07669 174 3PY -0.20795 0.12791 0.45134 -0.30844 -0.01857 175 3PZ -0.10498 -0.15783 -0.12716 -0.44074 -0.00099 176 4XX -0.00871 0.03758 0.20189 0.20432 -0.03347 177 4YY 0.02663 -0.23040 -0.35815 0.01677 -0.03647 178 4ZZ -0.04115 0.13681 0.11537 -0.18585 -0.06319 179 4XY -0.04579 0.17001 0.16695 -0.42040 -0.03964 180 4XZ -0.00588 0.05813 0.12418 -0.00128 -0.01015 181 4YZ -0.00473 -0.10864 -0.21658 -0.22282 0.01453 182 18 H 1S 0.01673 0.04834 0.08232 0.24503 0.00019 183 2S 0.05069 0.07592 0.06674 0.15798 -0.03898 184 19 H 1S -0.02454 -0.03600 -0.10339 -0.23352 -0.00360 185 2S -0.04185 -0.21464 -0.18406 -0.10862 0.00834 176 177 178 179 180 V V V V V Eigenvalues -- 4.00461 4.07277 4.13037 4.15539 4.20467 1 1 S 1S 0.13314 -0.06636 -0.02619 0.01249 -0.01014 2 2S -0.62266 0.39176 0.19385 -0.06494 0.05713 3 2PX -0.03709 0.00662 0.00203 -0.00473 0.00080 4 2PY 0.02107 -0.00189 0.00093 -0.00131 -0.00250 5 2PZ -0.02970 -0.01124 -0.01168 0.00152 0.00896 6 3S 5.19041 -2.52049 -0.95844 0.49168 -0.37874 7 3PX 0.20844 -0.03200 -0.02585 0.02994 -0.00647 8 3PY -0.28054 -0.00801 -0.05371 0.01305 0.02249 9 3PZ 0.26539 0.18685 0.14008 -0.02007 -0.10952 10 4S -2.23772 -2.16847 -1.83709 0.06103 0.31719 11 4PX 0.66319 0.95456 0.79099 -0.02314 -0.06125 12 4PY -0.40828 -0.20055 -0.22637 0.02444 0.23083 13 4PZ 0.26695 0.19827 0.13895 -0.02160 -0.20232 14 5XX -2.21517 1.27429 0.56807 -0.23678 0.17676 15 5YY -2.46107 1.26988 0.55223 -0.23198 0.22371 16 5ZZ -2.30189 1.27532 0.56972 -0.23660 0.17307 17 5XY -0.07898 -0.03578 -0.02945 -0.00806 -0.00431 18 5XZ -0.01668 -0.03680 -0.01550 0.01499 0.03655 19 5YZ 0.07185 -0.03378 -0.00497 0.01070 0.01160 20 2 O 1S -0.28286 -0.20193 -0.15100 0.02527 0.08183 21 2S -0.34033 -0.22060 -0.20845 0.01021 0.11012 22 2PX 0.03635 0.04526 0.01978 -0.01180 -0.00049 23 2PY 0.01548 0.11313 0.07972 -0.01275 -0.02336 24 2PZ -0.00577 -0.06037 -0.03211 0.01229 0.01677 25 3S 3.36907 2.55457 2.02421 -0.25824 -1.01534 26 3PX -0.13824 -0.21706 -0.13779 0.02716 0.01243 27 3PY -0.78899 -0.43027 -0.38624 0.02327 0.19751 28 3PZ 0.40981 0.19850 0.16825 -0.02211 -0.11049 29 4XX -1.01807 -0.67486 -0.51638 0.08345 0.28800 30 4YY -0.60094 -0.68473 -0.46669 0.09774 0.22896 31 4ZZ -0.90345 -0.68813 -0.50358 0.09080 0.25943 32 4XY 0.01393 0.03861 0.03199 -0.00287 -0.00330 33 4XZ -0.00441 -0.03332 -0.00808 0.00663 0.01901 34 4YZ -0.26206 0.00604 -0.01313 -0.00182 0.05133 35 3 O 1S -0.11263 -0.33855 -0.16470 0.01295 0.10726 36 2S -0.33650 -0.34086 -0.17735 -0.01154 0.19920 37 2PX -0.03127 0.06131 0.00931 -0.01015 -0.03283 38 2PY -0.06961 -0.06960 -0.04743 -0.00601 0.01720 39 2PZ -0.02205 -0.08353 -0.02268 0.00662 0.06184 40 3S 1.84421 3.93765 1.92629 -0.03824 -1.39545 41 3PX 0.00852 -0.27706 -0.01629 -0.02332 0.20445 42 3PY 0.42614 0.36499 0.28408 0.00935 -0.06752 43 3PZ 0.28349 0.42034 0.13111 0.03430 -0.26162 44 4XX -0.31065 -1.02880 -0.50096 0.05631 0.33927 45 4YY -0.25620 -1.12315 -0.52047 0.04750 0.37191 46 4ZZ -0.36594 -1.15490 -0.56862 0.04896 0.31710 47 4XY 0.16125 0.05175 0.05074 0.00473 -0.06380 48 4XZ 0.03121 -0.11039 -0.03082 -0.00837 0.04796 49 4YZ 0.15401 0.02442 0.01476 0.00534 -0.01821 50 4 C 1S -0.08035 -0.10077 -0.10287 -0.02616 -0.22146 51 2S 0.47242 0.73917 0.77011 0.09221 1.39405 52 2PX 0.00699 -0.01901 -0.01283 0.00200 0.05616 53 2PY 0.02603 -0.02071 -0.00546 -0.00166 0.06096 54 2PZ -0.02756 -0.04651 -0.00717 -0.00807 0.14691 55 3S 1.11206 -0.28518 -0.25012 0.59680 0.43639 56 3PX 0.14058 -0.00916 0.00443 0.05986 -0.05724 57 3PY 0.54888 -0.31739 -0.33030 0.33958 -0.01519 58 3PZ -0.06015 0.13058 0.15274 -0.06950 -0.12131 59 4XX -0.29575 -0.43453 -0.41850 -0.09305 -0.82446 60 4YY -0.29113 -0.42203 -0.45838 -0.08171 -0.83938 61 4ZZ -0.26771 -0.39506 -0.40710 -0.06696 -0.80796 62 4XY -0.00925 -0.05317 -0.01956 0.00240 0.04645 63 4XZ 0.01677 0.01307 -0.00041 0.00380 0.03491 64 4YZ -0.03109 -0.00013 0.00434 -0.01550 0.08798 65 5 C 1S -0.06445 -0.09974 -0.10918 -0.00694 -0.02506 66 2S 0.74730 0.42831 0.44308 0.19099 0.01498 67 2PX 0.01022 -0.06239 -0.06117 0.02898 0.03945 68 2PY 0.00308 -0.07068 -0.02954 -0.00490 0.00207 69 2PZ 0.03086 0.03579 -0.00135 0.01294 0.00931 70 3S -0.93863 0.34000 0.63861 -0.47758 0.48303 71 3PX -0.26851 -0.36171 0.04440 -0.13555 0.19303 72 3PY -0.54495 0.09011 0.22389 -0.29587 0.21691 73 3PZ -0.35497 0.45832 0.48713 -0.32753 -0.05863 74 4XX -0.32477 -0.32457 -0.33144 -0.07637 -0.02648 75 4YY -0.35996 -0.39845 -0.35733 -0.09467 -0.05028 76 4ZZ -0.31897 -0.26515 -0.31558 -0.06763 -0.01459 77 4XY -0.01384 0.00368 -0.05315 0.02345 -0.03432 78 4XZ 0.00851 -0.00505 -0.03211 0.02460 -0.00427 79 4YZ -0.01733 -0.00042 -0.02890 -0.00069 -0.08084 80 6 C 1S -0.01447 0.09340 -0.12804 0.09118 -0.02415 81 2S -0.04267 -0.57025 0.88979 -0.64328 0.24030 82 2PX 0.01367 0.09697 -0.10902 0.15817 0.04769 83 2PY -0.05219 -0.10818 -0.00908 0.01417 0.01147 84 2PZ 0.00165 0.02269 -0.04638 0.11210 0.06233 85 3S 0.65835 -0.65049 -0.24291 0.05775 -0.10462 86 3PX 0.56716 -0.39659 -0.24914 0.45992 -0.14368 87 3PY -0.06460 0.32767 0.14794 -0.15472 0.04258 88 3PZ 0.09902 -0.25392 -0.22670 0.19443 -0.08472 89 4XX 0.01462 0.29306 -0.45196 0.26176 -0.13458 90 4YY -0.00117 0.36787 -0.47625 0.39723 -0.12897 91 4ZZ -0.04712 0.32965 -0.46696 0.35598 -0.11015 92 4XY -0.03633 -0.05150 -0.00925 0.03838 0.05281 93 4XZ 0.00051 -0.06755 0.03400 -0.07197 -0.04080 94 4YZ -0.00177 0.00140 0.03553 0.04270 0.02615 95 7 C 1S 0.02810 0.09967 -0.12111 -0.10783 -0.06569 96 2S -0.14517 -0.96920 0.60305 0.75583 0.56015 97 2PX 0.04134 0.01812 -0.09562 -0.05584 0.06081 98 2PY -0.01662 0.00954 0.13140 0.16652 -0.11819 99 2PZ -0.01940 0.01376 0.02015 0.06159 0.01941 100 3S -0.79740 0.51760 0.67682 0.01128 -0.12773 101 3PX -0.46947 0.57368 0.40782 -0.31863 -0.47661 102 3PY 0.33731 -0.68375 -0.47399 0.44372 0.38062 103 3PZ -0.01029 -0.16405 -0.12821 0.05473 -0.22691 104 4XX 0.08371 0.50283 -0.38522 -0.42626 -0.26635 105 4YY 0.06154 0.42393 -0.32495 -0.32703 -0.40191 106 4ZZ 0.12717 0.45213 -0.39477 -0.46091 -0.27017 107 4XY 0.05120 -0.05446 -0.04533 -0.08895 0.06591 108 4XZ -0.01436 -0.06585 -0.03456 -0.02457 0.02360 109 4YZ -0.02179 0.01395 0.07538 0.00466 -0.02151 110 8 C 1S -0.03343 0.04203 -0.01278 0.00528 -0.16372 111 2S -0.43610 -0.11795 0.10668 -0.16697 0.66578 112 2PX -0.02137 0.06079 -0.00598 -0.04054 -0.02238 113 2PY 0.02272 -0.05440 -0.01289 0.01877 -0.03115 114 2PZ 0.05974 -0.07546 -0.03701 0.02248 0.06278 115 3S 1.84115 -0.45983 -0.13984 0.40167 1.04838 116 3PX -0.21137 0.57140 0.42409 -0.18350 -0.30636 117 3PY -0.48850 0.49467 0.20684 -0.28755 -0.08674 118 3PZ -0.78729 0.12163 -0.08560 -0.25752 -0.20268 119 4XX 0.02553 0.06348 -0.02042 0.10120 -0.52672 120 4YY 0.01616 0.14425 -0.06222 0.05001 -0.42613 121 4ZZ 0.08429 0.17029 -0.01431 0.05804 -0.57330 122 4XY -0.01286 0.01463 -0.01589 -0.00373 -0.00435 123 4XZ -0.09502 -0.04502 -0.02045 0.02475 0.01812 124 4YZ -0.02799 0.03209 -0.02846 -0.02584 -0.12098 125 9 C 1S -0.01545 -0.01342 -0.04077 -0.00085 -0.36567 126 2S 0.32584 -0.08813 0.23365 0.07448 2.26869 127 2PX -0.00544 -0.00603 -0.01817 -0.00788 -0.01237 128 2PY -0.04664 -0.04366 -0.03640 -0.01146 -0.05167 129 2PZ -0.03482 -0.04179 -0.04400 -0.00201 0.04716 130 3S -1.08171 0.76796 0.49425 -0.49749 0.96988 131 3PX 0.14171 -0.12949 -0.05538 0.09926 0.04238 132 3PY -0.10195 0.19935 0.11636 -0.03782 -0.05317 133 3PZ 0.74890 -0.49860 -0.21217 0.31942 -0.00468 134 4XX -0.07243 -0.03239 -0.15475 -0.01063 -1.39673 135 4YY -0.12293 -0.00575 -0.12963 -0.02956 -1.39139 136 4ZZ -0.12928 0.06846 -0.10889 -0.02258 -1.46419 137 4XY -0.02212 0.00898 0.01490 -0.00328 0.01233 138 4XZ 0.01812 -0.00899 -0.01978 0.00445 -0.01819 139 4YZ 0.04119 0.02274 0.02699 0.01676 0.00074 140 10 H 1S 0.05498 0.03994 0.04875 0.02170 0.11979 141 2S 0.06416 -0.17019 -0.18885 0.07339 -0.17138 142 11 H 1S 0.03098 0.07919 0.10363 -0.02492 0.02100 143 2S -0.21838 0.00398 0.08371 -0.16438 -0.01423 144 12 H 1S 0.02966 -0.09957 -0.01775 0.02801 0.07369 145 2S 0.23190 -0.13724 -0.03321 0.15472 -0.07787 146 13 H 1S -0.00904 0.01615 0.02856 -0.01163 0.17273 147 2S -0.22210 0.13983 0.01585 -0.08858 -0.30967 148 14 C 1S 0.01728 0.15260 -0.25052 0.31636 0.05787 149 2S -0.08862 -1.05679 1.66945 -2.00494 -0.32634 150 2PX 0.00070 -0.00934 0.00292 0.05543 0.04713 151 2PY -0.00594 -0.00744 0.00932 0.00945 0.00711 152 2PZ 0.00468 0.00210 0.01331 0.03966 0.01641 153 3S 0.11919 -0.63949 0.65049 -0.83296 -0.33346 154 3PX 0.01119 0.02386 -0.09516 0.19225 -0.05271 155 3PY 0.00824 -0.08449 -0.09007 -0.05252 -0.05632 156 3PZ 0.06516 -0.00547 -0.08337 0.10248 -0.02873 157 4XX 0.04922 0.63291 -1.01193 1.28868 0.25119 158 4YY 0.06143 0.59099 -0.99604 1.21496 0.21295 159 4ZZ 0.07145 0.61483 -0.96723 1.24930 0.22564 160 4XY -0.01051 -0.03202 0.01192 0.00524 0.00540 161 4XZ -0.00228 0.03064 -0.02413 0.05892 0.02618 162 4YZ -0.00952 -0.00440 -0.01433 0.00202 -0.00533 163 15 H 1S -0.00763 -0.05856 0.11770 -0.11795 -0.00547 164 2S -0.00994 0.17921 -0.17625 0.38814 0.05576 165 16 H 1S -0.00149 -0.06485 0.09352 -0.12620 -0.02561 166 2S 0.02462 0.12269 -0.27804 0.30481 0.03317 167 17 C 1S 0.03837 0.10090 -0.26103 -0.31983 0.09484 168 2S -0.31743 -0.71558 1.73484 2.03653 -0.53446 169 2PX -0.00271 -0.00823 -0.01339 -0.01463 0.04613 170 2PY -0.01419 0.04613 0.00981 0.05414 -0.08407 171 2PZ -0.00783 0.00392 -0.01026 0.02557 -0.02433 172 3S -0.18381 0.17613 1.11477 0.80069 -0.69784 173 3PX 0.16341 -0.00299 0.00595 -0.12456 0.04864 174 3PY 0.02758 -0.20377 -0.00632 0.21273 0.11629 175 3PZ 0.07646 -0.05736 0.04168 0.01471 0.15109 176 4XX 0.17160 0.40434 -1.04252 -1.23973 0.36808 177 4YY 0.18670 0.37124 -1.07453 -1.31441 0.44059 178 4ZZ 0.15338 0.40140 -1.00874 -1.23907 0.34748 179 4XY -0.02653 0.00924 0.05013 0.03293 -0.05806 180 4XZ -0.01236 0.01008 -0.01385 0.00958 -0.01559 181 4YZ 0.01821 -0.00093 -0.01925 -0.03154 0.00748 182 18 H 1S -0.04131 -0.04761 0.09258 0.13033 -0.03248 183 2S -0.01920 0.12860 -0.26784 -0.30846 0.03686 184 19 H 1S -0.00207 -0.05725 0.11387 0.12156 -0.01153 185 2S 0.10854 0.04527 -0.22828 -0.39529 0.14191 181 182 183 184 185 V V V V V Eigenvalues -- 4.29340 4.37210 4.44900 4.62508 4.85853 1 1 S 1S -0.01206 -0.00332 0.00535 0.00343 -0.00890 2 2S 0.10166 0.01374 0.02305 0.00189 0.03570 3 2PX -0.00141 -0.01328 -0.00774 -0.01501 0.04510 4 2PY 0.00086 -0.00425 -0.00404 -0.00351 0.00522 5 2PZ -0.00389 0.00504 -0.01213 -0.00237 -0.01268 6 3S -0.42215 -0.09244 0.27792 0.17928 -0.47727 7 3PX -0.00846 0.12545 0.03388 0.08634 -0.35267 8 3PY -0.04618 0.01313 0.02491 0.06340 -0.05010 9 3PZ 0.03011 -0.06399 0.16477 0.02169 0.08613 10 4S -1.20966 -0.72506 -1.24038 -0.46657 2.12155 11 4PX 0.52027 0.31367 0.54530 0.24171 -0.92666 12 4PY -0.27986 -0.03300 0.03696 0.00752 0.04962 13 4PZ 0.10387 -0.10935 0.07586 0.02049 -0.02859 14 5XX 0.25330 0.01218 -0.01477 -0.10504 0.28003 15 5YY 0.27509 0.00338 -0.08705 -0.03104 0.27806 16 5ZZ 0.29427 0.01455 -0.01988 -0.03022 0.26507 17 5XY 0.01018 -0.03019 -0.05573 -0.01465 0.06916 18 5XZ 0.00007 0.02092 -0.00554 -0.00031 -0.04344 19 5YZ -0.01098 0.02460 0.01669 -0.01775 -0.00020 20 2 O 1S -0.09545 -0.02766 -0.05928 0.00921 0.07181 21 2S -0.15062 -0.05021 -0.13906 -0.00454 0.19630 22 2PX -0.00355 0.01631 0.01873 -0.01609 -0.02370 23 2PY 0.04762 0.00392 0.02046 -0.00929 -0.00542 24 2PZ -0.01004 0.00484 -0.01286 0.01338 -0.00880 25 3S 1.35270 0.42283 0.93652 0.00250 -1.27422 26 3PX -0.05445 -0.07067 -0.10861 0.00323 0.17153 27 3PY -0.24168 -0.08349 -0.23222 0.00645 0.27302 28 3PZ 0.09433 0.03565 0.10584 -0.03262 -0.09942 29 4XX -0.32971 -0.08507 -0.20961 0.03123 0.23028 30 4YY -0.29078 -0.06504 -0.14902 0.03041 0.16488 31 4ZZ -0.31278 -0.10311 -0.18151 0.04436 0.23147 32 4XY 0.02725 0.01340 0.01228 0.00748 -0.03087 33 4XZ 0.01322 0.01590 -0.02171 0.00898 -0.00601 34 4YZ 0.00449 -0.00666 -0.03254 0.02411 0.02142 35 3 O 1S -0.02019 -0.06286 -0.20287 -0.10174 0.24464 36 2S -0.02813 -0.22545 -0.36870 -0.24440 0.60712 37 2PX -0.03850 -0.00431 0.03522 0.04153 -0.03751 38 2PY -0.00788 -0.00996 -0.02475 -0.04314 0.06261 39 2PZ 0.01281 -0.01513 -0.09375 -0.02705 0.07048 40 3S 0.23422 1.19320 2.93278 1.65233 -4.79205 41 3PX 0.15466 -0.25914 -0.16728 -0.29532 0.57194 42 3PY 0.11330 0.04152 0.20040 0.20153 -0.40997 43 3PZ -0.01764 0.31227 0.50796 0.25170 -0.81975 44 4XX -0.06581 -0.08465 -0.73817 -0.29200 0.88065 45 4YY -0.05178 -0.22035 -0.66623 -0.32009 0.74469 46 4ZZ -0.03794 -0.17421 -0.59557 -0.35396 0.73220 47 4XY 0.05685 0.05130 0.03767 -0.02494 0.03158 48 4XZ -0.00907 -0.10306 0.00727 -0.03987 -0.02622 49 4YZ -0.04353 -0.05307 0.03475 0.04799 -0.09257 50 4 C 1S 0.10293 0.26724 0.28352 -0.05542 0.03889 51 2S -0.46652 -1.58315 -1.40924 0.03930 -0.05939 52 2PX -0.03010 0.04451 0.07714 -0.00784 0.00051 53 2PY 0.01910 0.18243 0.23974 -0.02969 -0.05581 54 2PZ -0.05636 -0.03961 0.05463 -0.01671 0.08511 55 3S -0.74402 -0.92916 -1.77161 1.64840 -4.02583 56 3PX 0.04487 -0.00531 -0.14779 0.07790 -0.25161 57 3PY -0.31419 0.13155 -0.58653 0.98778 -1.99201 58 3PZ 0.19177 -0.11036 -0.19610 -0.19894 0.83434 59 4XX 0.37794 1.03591 1.04168 -0.19100 0.12407 60 4YY 0.31199 1.11820 1.18447 -0.09559 0.02227 61 4ZZ 0.39059 1.22239 1.15199 -0.16833 0.22291 62 4XY 0.00070 0.03344 0.10428 -0.03898 -0.05060 63 4XZ -0.03336 0.08852 0.07903 -0.00080 0.05750 64 4YZ -0.03649 0.02055 0.13866 -0.03513 0.00294 65 5 C 1S -0.12757 -0.14581 0.17503 0.06375 -0.53615 66 2S 0.50946 1.55048 -0.48757 0.26338 0.89501 67 2PX -0.03666 -0.01786 0.00055 -0.00103 -0.09640 68 2PY 0.01063 -0.01805 0.02806 0.01811 -0.17854 69 2PZ -0.03212 0.01546 0.04221 0.03001 -0.20413 70 3S 0.96730 -0.73398 -2.16488 -1.70677 8.88335 71 3PX 0.16747 -0.32218 -0.25405 -0.32833 0.98448 72 3PY 0.15175 -0.82405 -0.65174 -0.59237 2.64798 73 3PZ 0.26905 -0.47732 -0.21523 -0.43087 2.00655 74 4XX -0.40317 -0.80415 0.60784 0.04465 -1.57867 75 4YY -0.36732 -0.82109 0.55145 -0.02034 -1.55064 76 4ZZ -0.48927 -0.87204 0.46380 0.13345 -1.59746 77 4XY -0.07756 0.06599 -0.00030 0.10391 -0.02336 78 4XZ -0.03819 -0.00611 -0.07744 -0.00208 0.01931 79 4YZ 0.02643 0.07575 0.07634 -0.02972 -0.01065 80 6 C 1S -0.26954 0.12697 -0.09053 0.32906 0.03826 81 2S 1.40772 -0.93807 0.30231 -1.80780 -0.04086 82 2PX 0.12231 -0.03658 -0.01566 -0.04758 -0.00555 83 2PY 0.02736 -0.01337 0.03562 0.03736 0.00614 84 2PZ 0.11091 -0.04668 0.00166 -0.00664 -0.02220 85 3S 0.93067 0.13310 1.11935 -2.00232 -2.87926 86 3PX -0.15024 0.81574 0.81583 -0.03420 -2.45057 87 3PY -0.00605 -0.57244 -0.57580 -0.63716 1.69784 88 3PZ -0.13742 0.22862 0.26463 -0.51240 -0.26834 89 4XX -1.17886 0.66492 -0.32710 1.52295 0.01604 90 4YY -0.90798 0.58564 -0.33322 1.31376 0.21547 91 4ZZ -0.99280 0.55137 -0.26082 1.38680 0.07829 92 4XY 0.05764 -0.12284 0.01106 0.01982 -0.04948 93 4XZ -0.08396 0.06885 0.04463 0.26583 -0.06238 94 4YZ 0.09089 -0.01859 0.01382 0.13005 0.00839 95 7 C 1S -0.29736 0.06522 -0.07008 -0.33578 0.01678 96 2S 1.52475 -0.33698 0.40787 1.75169 0.07160 97 2PX 0.03383 0.07230 -0.01886 0.04428 -0.01639 98 2PY -0.15317 0.03374 -0.01143 -0.02599 -0.05003 99 2PZ -0.05616 0.07131 0.00536 0.03462 -0.05018 100 3S 1.34061 -1.12498 0.18659 2.43210 1.97702 101 3PX 0.02372 -0.79906 -0.11236 -0.25210 1.75003 102 3PY 0.02616 0.57676 0.28655 -0.50200 -1.20137 103 3PZ -0.01335 -0.27403 -0.15120 -0.47680 0.49425 104 4XX -1.10395 0.36604 -0.34158 -1.32415 -0.06105 105 4YY -1.23975 0.19283 -0.32784 -1.57132 0.08394 106 4ZZ -1.04183 0.24807 -0.23544 -1.32600 0.01632 107 4XY 0.15081 -0.07264 0.05900 0.07460 -0.00107 108 4XZ 0.05918 0.05560 -0.05457 -0.06051 -0.08577 109 4YZ -0.00521 -0.07388 0.06296 -0.19907 0.01364 110 8 C 1S -0.12333 -0.34373 0.19403 0.01456 0.40558 111 2S 0.51921 1.38210 -1.42483 -0.51292 -0.54075 112 2PX -0.03123 0.03992 -0.05352 -0.03643 -0.02934 113 2PY 0.04296 0.05320 -0.04210 -0.00352 -0.15122 114 2PZ -0.02849 0.06879 -0.01330 0.02264 -0.19357 115 3S 0.85205 3.12854 -0.82669 0.53680 -6.64382 116 3PX 0.14373 -0.45195 0.03722 -0.11140 1.28643 117 3PY -0.01646 -0.37127 0.06894 -0.30767 1.54205 118 3PZ -0.17768 -0.58777 -0.30429 -0.25189 1.84209 119 4XX -0.30024 -1.23550 0.82738 0.30089 1.14006 120 4YY -0.51666 -1.15592 0.99221 0.16685 1.16758 121 4ZZ -0.41223 -1.16658 0.87827 0.15103 1.14106 122 4XY -0.05518 0.03773 0.01818 -0.06083 -0.01330 123 4XZ 0.05215 -0.03241 0.04375 0.10862 -0.00998 124 4YZ 0.01323 -0.00315 -0.08370 0.02241 -0.03994 125 9 C 1S 0.12931 -0.10759 -0.27792 0.05444 -0.05906 126 2S -0.68197 0.50987 1.39018 -0.09836 0.26865 127 2PX -0.01214 0.08306 0.08870 -0.00879 -0.00612 128 2PY 0.05781 0.14913 0.04289 0.00840 -0.00924 129 2PZ -0.04138 0.13316 0.22378 -0.02025 -0.02843 130 3S -0.47329 0.03529 2.49145 -1.40458 3.52181 131 3PX 0.02541 -0.03232 -0.20816 0.33322 -0.51152 132 3PY -0.10878 -0.32386 0.04103 -0.12709 0.58836 133 3PZ 0.06295 0.10434 -0.68396 0.72496 -1.68684 134 4XX 0.47179 -0.40324 -1.04991 0.14313 -0.18360 135 4YY 0.52780 -0.38135 -1.30388 0.16700 -0.32907 136 4ZZ 0.48426 -0.49135 -1.06168 0.17947 -0.19806 137 4XY 0.01645 -0.06327 -0.10645 0.01872 -0.03127 138 4XZ -0.04808 -0.06772 -0.07802 -0.03066 0.01046 139 4YZ -0.02103 -0.15683 -0.08455 0.05136 0.03230 140 10 H 1S -0.03709 -0.07961 -0.15005 0.03057 -0.00312 141 2S -0.02345 0.28648 0.10817 0.23207 -0.43438 142 11 H 1S 0.05087 0.01648 -0.01610 -0.00252 0.08423 143 2S -0.03396 -0.44357 0.01946 -0.13438 0.25838 144 12 H 1S 0.00612 0.06018 -0.05898 -0.01389 -0.07186 145 2S -0.07734 -0.11057 0.31085 0.15114 -0.34778 146 13 H 1S -0.03888 0.05536 0.07394 -0.04101 0.05828 147 2S 0.07174 -0.12084 -0.08848 -0.15528 0.32830 148 14 C 1S 0.14638 -0.03761 0.01612 -0.11012 -0.00868 149 2S -0.74364 0.26579 -0.10568 0.56221 0.08160 150 2PX 0.20417 -0.09280 0.02727 -0.26513 0.02073 151 2PY -0.02051 -0.00650 0.00012 0.04515 -0.02800 152 2PZ 0.12636 -0.05426 0.03112 -0.14161 -0.01031 153 3S -1.06693 0.63757 0.26211 0.86862 -0.88968 154 3PX -0.16801 0.07871 0.09614 0.02753 -0.14746 155 3PY 0.02526 0.23137 0.14463 0.15506 -0.35706 156 3PZ -0.08678 0.16080 0.10742 0.13219 -0.38717 157 4XX 0.70360 -0.25997 0.08580 -0.67102 0.01275 158 4YY 0.50776 -0.15309 0.06168 -0.40973 -0.05199 159 4ZZ 0.60523 -0.17356 0.08497 -0.44511 -0.06589 160 4XY -0.00517 0.01997 0.00825 0.08062 -0.03202 161 4XZ 0.12966 -0.09215 0.02929 -0.18159 -0.01592 162 4YZ -0.02399 -0.00321 0.01909 0.01976 -0.04853 163 15 H 1S -0.02022 -0.01050 -0.01925 0.03789 0.04449 164 2S 0.12856 -0.15235 -0.03016 -0.24454 0.14400 165 16 H 1S -0.02980 0.03766 -0.00567 0.02998 0.00483 166 2S 0.15503 0.05419 0.07578 -0.09129 -0.14544 167 17 C 1S 0.14777 -0.04267 -0.00408 0.09455 0.03239 168 2S -0.75859 0.26598 -0.03842 -0.51667 -0.13624 169 2PX 0.10297 0.00193 0.00827 0.12111 -0.01532 170 2PY -0.22773 0.03666 -0.03407 -0.23616 -0.00355 171 2PZ -0.04798 0.02495 -0.02341 -0.04330 -0.01594 172 3S -1.03541 -0.09046 -0.12600 -0.73577 0.45129 173 3PX -0.09166 0.05058 0.03984 0.09087 -0.20884 174 3PY 0.16346 0.09220 0.02264 0.06269 -0.20356 175 3PZ 0.02564 0.09013 0.11520 0.09983 -0.23177 176 4XX 0.56023 -0.15515 -0.00245 0.42656 0.09045 177 4YY 0.74974 -0.20681 0.05930 0.59910 0.10219 178 4ZZ 0.54163 -0.17681 -0.00783 0.33077 0.13383 179 4XY -0.10726 -0.00868 -0.02517 -0.17616 0.04374 180 4XZ -0.04498 -0.00868 0.00622 0.00228 0.02266 181 4YZ 0.05409 -0.04433 0.03030 0.06541 0.02316 182 18 H 1S -0.03003 0.02854 -0.01830 -0.02952 -0.00565 183 2S 0.15637 -0.07282 -0.05216 0.09503 0.13002 184 19 H 1S -0.02384 0.01767 0.01048 -0.03856 -0.03655 185 2S 0.12253 -0.00082 0.04859 0.22565 -0.10128 Density Matrix: 1 2 3 4 5 1 1 S 1S 2.15421 2 2S -0.60188 2.35892 3 2PX -0.00696 0.03274 2.07475 4 2PY 0.00298 -0.01532 -0.01809 2.05267 5 2PZ -0.00295 0.01536 0.00049 -0.00751 2.05103 6 3S 0.04015 -0.43362 -0.07370 0.02832 -0.02663 7 3PX 0.01922 -0.09027 -0.23023 0.05053 -0.00039 8 3PY -0.00904 0.04649 0.05090 -0.16210 0.01732 9 3PZ 0.00813 -0.04070 0.00053 0.01707 -0.16177 10 4S 0.06080 -0.24980 -0.13397 0.09647 -0.07429 11 4PX 0.00771 -0.03857 -0.09905 0.01695 0.00627 12 4PY -0.00788 0.03636 0.02488 -0.03958 -0.01235 13 4PZ 0.00822 -0.03627 -0.01252 0.00114 -0.05035 14 5XX 0.02392 -0.02426 0.00559 0.01157 -0.00722 15 5YY 0.02275 -0.01762 0.00218 -0.01528 0.01016 16 5ZZ 0.02460 -0.02722 0.00408 0.00507 -0.00267 17 5XY -0.00182 0.00928 0.00411 0.00447 0.00482 18 5XZ 0.00058 -0.00304 -0.00529 0.00668 0.01500 19 5YZ -0.00049 0.00171 0.00024 0.01602 -0.01329 20 2 O 1S 0.00035 0.00030 -0.00304 0.01766 -0.01078 21 2S -0.00079 0.00145 0.00839 -0.04278 0.02283 22 2PX -0.00826 0.04510 -0.04536 -0.03304 0.00600 23 2PY -0.02050 0.08606 -0.03497 0.11943 -0.12369 24 2PZ 0.00858 -0.03614 0.00079 -0.12012 -0.01348 25 3S -0.01655 0.06986 0.01324 -0.00391 0.01683 26 3PX -0.00799 0.04300 -0.01228 -0.02624 0.00092 27 3PY -0.00877 0.03267 -0.02747 0.06596 -0.07534 28 3PZ 0.00191 -0.00577 -0.00055 -0.07178 -0.00762 29 4XX 0.00010 0.00061 -0.00068 0.00233 -0.00252 30 4YY 0.00244 -0.01128 0.00246 -0.00547 0.01044 31 4ZZ 0.00058 -0.00207 -0.00009 -0.00537 -0.00666 32 4XY 0.00010 -0.00072 0.00730 0.00068 0.00018 33 4XZ -0.00008 0.00049 -0.00412 -0.00062 -0.00010 34 4YZ -0.00135 0.00698 -0.00114 0.00981 -0.00006 35 3 O 1S 0.00182 -0.00850 -0.01095 -0.00370 -0.00723 36 2S -0.00410 0.01984 0.01764 0.00844 0.01172 37 2PX 0.00003 0.00291 0.03864 0.04367 0.03909 38 2PY 0.00930 -0.04194 0.05963 0.05095 0.06328 39 2PZ 0.00515 -0.01699 0.06179 0.05965 0.02837 40 3S -0.01648 0.07872 0.05433 -0.02276 0.02099 41 3PX -0.00309 0.01615 0.02229 0.01817 0.02359 42 3PY 0.00527 -0.02200 0.03908 0.02876 0.04909 43 3PZ 0.00175 -0.00054 0.05302 0.03959 0.02661 44 4XX 0.00088 -0.00405 -0.00810 0.00146 -0.00164 45 4YY 0.00098 -0.00482 0.00228 0.00122 0.00395 46 4ZZ 0.00069 -0.00289 0.00141 0.00470 -0.00202 47 4XY 0.00083 -0.00380 -0.00028 0.00299 0.00307 48 4XZ 0.00048 -0.00271 -0.00041 0.00324 0.00092 49 4YZ 0.00106 -0.00477 0.00732 0.00445 0.00295 50 4 C 1S 0.00034 -0.00120 0.00297 0.00198 -0.00111 51 2S -0.00011 0.00040 -0.00582 -0.00336 0.00332 52 2PX -0.00379 0.01418 -0.01765 0.00611 0.02579 53 2PY 0.00023 -0.00068 -0.00093 -0.00493 -0.00018 54 2PZ 0.00090 -0.00211 0.01182 0.00291 -0.00716 55 3S 0.00260 -0.01213 -0.00065 -0.01803 -0.00217 56 3PX -0.00310 0.01199 -0.01133 0.00229 0.02172 57 3PY 0.00212 -0.00795 0.00608 -0.00792 -0.00294 58 3PZ 0.00013 0.00154 0.01113 0.00085 -0.00034 59 4XX 0.00006 -0.00012 0.00053 0.00054 0.00028 60 4YY 0.00008 -0.00021 0.00012 0.00009 0.00026 61 4ZZ 0.00033 -0.00126 0.00026 0.00011 -0.00060 62 4XY -0.00024 0.00083 0.00047 0.00005 0.00044 63 4XZ -0.00006 0.00031 0.00025 -0.00027 0.00041 64 4YZ 0.00012 -0.00036 0.00050 0.00034 0.00033 65 5 C 1S -0.00002 -0.00038 0.00433 0.00097 0.00089 66 2S 0.00131 -0.00513 -0.01059 -0.00204 -0.00296 67 2PX 0.00040 -0.00345 -0.02413 -0.01118 -0.01252 68 2PY -0.00186 0.00771 -0.01733 -0.00621 -0.00922 69 2PZ -0.00177 0.00769 0.00452 -0.00566 0.00194 70 3S -0.00199 0.00755 -0.02346 0.00664 0.00882 71 3PX -0.00006 -0.00175 -0.01483 -0.00741 -0.00283 72 3PY -0.00349 0.01307 -0.01254 -0.00180 -0.00636 73 3PZ -0.00540 0.02287 0.01107 -0.00550 0.00431 74 4XX -0.00032 0.00119 0.00043 -0.00037 -0.00132 75 4YY 0.00017 -0.00099 0.00137 0.00140 0.00117 76 4ZZ 0.00028 -0.00134 -0.00110 -0.00115 -0.00102 77 4XY 0.00011 -0.00070 0.00259 0.00059 0.00012 78 4XZ 0.00016 -0.00074 0.00207 0.00294 0.00321 79 4YZ 0.00009 -0.00013 0.00159 0.00108 0.00054 80 6 C 1S 0.00057 -0.00270 0.00387 0.00028 -0.00058 81 2S -0.00129 0.00673 -0.00677 -0.00042 0.00165 82 2PX -0.00175 0.00724 -0.01164 0.00174 0.00426 83 2PY 0.00102 -0.00530 0.00130 0.00133 0.00267 84 2PZ -0.00032 0.00217 -0.00048 -0.00218 -0.00179 85 3S 0.00088 -0.00685 -0.02041 0.00507 -0.00910 86 3PX 0.00185 -0.00865 -0.00738 0.00028 0.00353 87 3PY 0.00066 -0.00409 -0.00543 0.01064 0.00186 88 3PZ 0.00210 -0.00756 -0.00240 0.00470 -0.00351 89 4XX -0.00005 0.00012 0.00010 0.00000 0.00004 90 4YY 0.00001 0.00032 0.00068 0.00009 0.00021 91 4ZZ 0.00026 -0.00083 0.00041 0.00040 -0.00074 92 4XY -0.00004 0.00014 0.00025 0.00037 0.00064 93 4XZ -0.00005 0.00018 -0.00048 0.00034 -0.00015 94 4YZ -0.00002 0.00005 -0.00022 0.00039 0.00027 95 7 C 1S 0.00032 -0.00182 0.00456 -0.00161 -0.00371 96 2S -0.00077 0.00424 -0.01248 0.00391 0.00629 97 2PX -0.00238 0.00821 -0.01761 0.00434 0.01814 98 2PY -0.00047 0.00298 0.00719 -0.00356 -0.00259 99 2PZ 0.00230 -0.00988 -0.00517 0.00375 -0.00386 100 3S -0.00329 0.00625 -0.03385 0.01088 0.01872 101 3PX -0.00327 0.00859 -0.02988 0.01046 0.02234 102 3PY 0.00245 -0.00975 0.00235 0.01299 -0.01079 103 3PZ 0.00263 -0.01331 -0.01054 0.00878 -0.01373 104 4XX -0.00008 0.00012 0.00251 -0.00091 -0.00182 105 4YY -0.00026 0.00086 -0.00254 0.00045 -0.00025 106 4ZZ 0.00011 -0.00046 -0.00125 0.00025 0.00068 107 4XY 0.00013 -0.00041 -0.00052 -0.00026 0.00045 108 4XZ -0.00020 0.00081 -0.00317 0.00064 0.00199 109 4YZ -0.00008 0.00041 0.00162 -0.00036 -0.00069 110 8 C 1S -0.00026 0.00050 -0.01747 0.00456 0.01390 111 2S -0.00266 0.01006 0.02087 -0.00570 -0.01928 112 2PX 0.00430 -0.01699 0.06416 -0.01847 -0.06713 113 2PY 0.00023 -0.00148 -0.00786 -0.00461 0.00710 114 2PZ -0.00734 0.03129 -0.07595 0.01639 0.07261 115 3S 0.00232 0.00723 0.10785 -0.03847 -0.04853 116 3PX -0.00322 0.01134 0.02225 -0.01497 -0.03270 117 3PY -0.00403 0.01326 -0.02600 -0.01215 0.01081 118 3PZ -0.00096 -0.00147 -0.07539 0.02357 0.03920 119 4XX 0.00069 -0.00371 -0.00396 0.00081 -0.00317 120 4YY -0.00108 0.00424 -0.00301 0.00051 0.00369 121 4ZZ 0.00029 -0.00174 0.00571 -0.00143 -0.00183 122 4XY -0.00026 0.00107 -0.00048 -0.00182 0.00063 123 4XZ -0.00172 0.00748 -0.00430 0.00093 0.00728 124 4YZ -0.00003 -0.00005 0.00092 0.00202 -0.00032 125 9 C 1S 0.00113 -0.00533 0.00178 -0.00012 -0.00377 126 2S -0.00177 0.00885 -0.00119 -0.00367 0.00964 127 2PX -0.00479 0.01910 0.00304 -0.00143 0.00646 128 2PY -0.00223 0.01009 -0.00976 0.00086 0.00879 129 2PZ 0.00389 -0.01623 0.00370 -0.00062 -0.01069 130 3S -0.00955 0.03420 -0.03277 0.00602 0.01968 131 3PX -0.00472 0.01933 0.00414 -0.00422 0.01510 132 3PY -0.00272 0.01031 -0.01171 -0.00344 0.01033 133 3PZ 0.00593 -0.02264 0.02539 -0.01235 -0.00920 134 4XX 0.00050 -0.00213 0.00053 -0.00065 -0.00140 135 4YY -0.00029 0.00113 -0.00117 -0.00033 0.00156 136 4ZZ 0.00008 -0.00053 0.00111 -0.00063 -0.00039 137 4XY -0.00007 0.00036 0.00201 -0.00038 -0.00174 138 4XZ -0.00014 0.00059 -0.00098 -0.00071 0.00060 139 4YZ 0.00004 -0.00009 -0.00193 0.00038 0.00178 140 10 H 1S -0.00011 0.00073 0.00057 0.00088 -0.00151 141 2S -0.00024 0.00183 0.00156 0.00056 -0.00042 142 11 H 1S 0.00138 -0.00533 0.01475 0.01094 0.00980 143 2S -0.00143 0.00692 0.02486 0.00970 0.01183 144 12 H 1S -0.00322 0.01420 -0.00592 0.00020 0.01367 145 2S -0.00321 0.01425 0.00390 0.00522 0.02197 146 13 H 1S 0.00087 -0.00357 0.00510 -0.00240 -0.00529 147 2S 0.00026 -0.00165 -0.00012 0.00108 -0.00971 148 14 C 1S -0.00013 0.00056 -0.00028 0.00025 0.00039 149 2S 0.00028 -0.00127 0.00040 -0.00057 -0.00131 150 2PX 0.00057 -0.00258 0.00477 -0.00112 -0.00342 151 2PY 0.00004 -0.00016 0.00316 0.00070 -0.00147 152 2PZ 0.00030 -0.00094 -0.00202 0.00126 0.00390 153 3S 0.00221 -0.00877 -0.00093 -0.00116 0.00245 154 3PX 0.00075 -0.00280 0.00448 0.00014 -0.00063 155 3PY 0.00005 -0.00023 0.00287 -0.00373 -0.00312 156 3PZ 0.00015 -0.00077 -0.00206 -0.00042 0.00650 157 4XX 0.00001 0.00000 -0.00024 0.00011 0.00024 158 4YY -0.00002 0.00012 -0.00002 0.00012 0.00005 159 4ZZ 0.00002 -0.00011 0.00016 -0.00026 -0.00025 160 4XY 0.00004 -0.00022 -0.00003 -0.00013 -0.00005 161 4XZ -0.00001 0.00003 0.00011 -0.00026 0.00007 162 4YZ 0.00003 -0.00014 0.00001 0.00001 -0.00002 163 15 H 1S -0.00026 0.00124 -0.00042 0.00096 0.00079 164 2S -0.00063 0.00295 0.00010 0.00279 0.00192 165 16 H 1S -0.00001 -0.00010 -0.00068 -0.00103 -0.00057 166 2S -0.00004 0.00004 0.00126 -0.00178 0.00051 167 17 C 1S -0.00006 -0.00003 -0.00166 0.00030 0.00191 168 2S 0.00009 0.00044 0.00449 -0.00160 -0.00397 169 2PX -0.00057 0.00264 -0.01258 0.00316 0.00772 170 2PY -0.00067 0.00115 -0.01681 0.00448 0.01391 171 2PZ 0.00138 -0.00554 0.02186 -0.00474 -0.01714 172 3S -0.00211 0.00951 0.00751 -0.01015 0.00168 173 3PX -0.00040 0.00221 -0.01086 0.00215 0.00739 174 3PY 0.00042 -0.00260 -0.01246 0.00589 0.00499 175 3PZ 0.00099 -0.00259 0.02493 -0.00600 -0.01255 176 4XX -0.00001 0.00024 -0.00033 -0.00038 0.00069 177 4YY 0.00017 -0.00043 0.00088 -0.00037 -0.00012 178 4ZZ 0.00003 0.00005 0.00013 -0.00031 0.00026 179 4XY -0.00002 -0.00002 0.00059 0.00000 -0.00065 180 4XZ 0.00003 -0.00014 -0.00012 0.00007 0.00017 181 4YZ -0.00007 0.00034 0.00039 -0.00016 -0.00005 182 18 H 1S 0.00011 -0.00053 0.00258 -0.00043 -0.00145 183 2S 0.00014 -0.00089 0.00087 0.00018 -0.00097 184 19 H 1S -0.00007 0.00000 -0.00364 0.00077 0.00337 185 2S 0.00014 -0.00073 -0.00719 0.00218 0.00631 6 7 8 9 10 6 3S 1.32782 7 3PX 0.18471 0.77087 8 3PY -0.08329 -0.13393 0.58465 9 3PZ 0.07783 -0.00827 -0.04639 0.58485 10 4S 0.46161 0.34636 -0.23425 0.14730 0.52122 11 4PX 0.09791 0.22799 -0.05301 -0.00084 0.07550 12 4PY -0.07275 -0.06932 0.07503 0.03000 -0.08532 13 4PZ 0.07196 0.03437 -0.00631 0.09451 0.06678 14 5XX -0.02114 -0.02087 -0.03256 0.02302 0.01589 15 5YY -0.03024 -0.00050 0.04454 -0.02992 -0.05088 16 5ZZ -0.01357 -0.00831 -0.01270 0.00809 0.00420 17 5XY -0.01392 -0.01307 -0.02061 -0.01416 -0.05757 18 5XZ 0.00390 0.01569 -0.01947 -0.05000 0.03160 19 5YZ -0.00678 -0.00244 -0.04932 0.03629 0.01754 20 2 O 1S 0.02377 0.00717 -0.02798 0.01680 0.03067 21 2S -0.05529 -0.02230 0.07431 -0.04006 -0.09042 22 2PX -0.07250 0.10276 0.08579 -0.01129 -0.29895 23 2PY -0.22856 0.09904 -0.31161 0.32105 0.13034 24 2PZ 0.09207 0.00025 0.30982 0.02912 -0.06867 25 3S -0.22343 -0.02660 -0.06754 0.01641 -0.12279 26 3PX -0.07818 0.01709 0.07027 -0.00191 -0.24546 27 3PY -0.08516 0.07682 -0.14867 0.17627 0.09350 28 3PZ 0.01374 0.00332 0.17065 0.02359 -0.05378 29 4XX -0.00150 0.00111 -0.00289 0.00276 0.00334 30 4YY 0.02611 -0.00917 0.01543 -0.02570 -0.00424 31 4ZZ 0.00443 -0.00108 0.01464 0.01149 -0.00030 32 4XY 0.00048 -0.01460 -0.00223 0.00012 0.01161 33 4XZ -0.00037 0.00849 0.00185 0.00017 -0.00642 34 4YZ -0.01593 0.00414 -0.02222 0.00130 0.00501 35 3 O 1S 0.02711 0.02261 0.00106 0.01115 0.04977 36 2S -0.06148 -0.04236 -0.00621 -0.01864 -0.10863 37 2PX -0.01026 -0.10615 -0.10574 -0.09546 -0.15175 38 2PY 0.08202 -0.15128 -0.13091 -0.16643 0.03208 39 2PZ 0.06457 -0.16367 -0.15675 -0.07811 -0.15698 40 3S -0.19460 -0.09907 0.08830 -0.02279 -0.28057 41 3PX -0.03710 -0.06563 -0.03395 -0.04373 -0.12334 42 3PY 0.03680 -0.08773 -0.06329 -0.10914 0.01252 43 3PZ 0.01468 -0.12792 -0.08984 -0.06545 -0.15282 44 4XX 0.00734 0.01683 -0.00332 0.00218 0.01698 45 4YY 0.00885 -0.00698 -0.00316 -0.00820 0.00783 46 4ZZ 0.00651 -0.00674 -0.01070 0.00068 -0.00231 47 4XY 0.00653 0.00165 -0.00344 -0.00422 -0.00186 48 4XZ 0.00525 0.00007 -0.00523 -0.00104 0.00005 49 4YZ 0.00908 -0.01557 -0.00755 -0.00553 -0.00562 50 4 C 1S 0.00341 -0.00819 -0.00436 0.00321 -0.00580 51 2S -0.00466 0.01556 0.01233 -0.00853 0.01926 52 2PX -0.05101 0.05246 -0.01544 -0.07545 0.00461 53 2PY 0.00365 0.00391 0.01295 0.00038 0.00426 54 2PZ 0.01675 -0.03396 -0.01078 0.02007 -0.03331 55 3S -0.00797 0.04912 0.03107 -0.02007 0.03238 56 3PX -0.04049 0.03813 -0.01071 -0.06625 -0.00895 57 3PY 0.00216 0.00814 0.01181 -0.00561 -0.00584 58 3PZ 0.00742 -0.03137 -0.00219 0.00878 -0.03147 59 4XX -0.00077 -0.00132 -0.00040 -0.00065 -0.00096 60 4YY -0.00050 0.00077 0.00040 -0.00063 -0.00072 61 4ZZ 0.00278 -0.00051 0.00055 0.00116 0.00278 62 4XY -0.00205 -0.00130 -0.00102 -0.00158 -0.00201 63 4XZ -0.00153 -0.00034 0.00103 -0.00121 0.00010 64 4YZ 0.00129 -0.00122 -0.00098 -0.00077 0.00010 65 5 C 1S -0.00345 -0.00955 -0.00134 -0.00317 -0.00621 66 2S 0.01084 0.03656 0.00485 -0.00003 0.02105 67 2PX 0.00634 0.06795 0.02958 0.02955 0.05167 68 2PY -0.02227 0.05181 0.01765 0.02525 -0.01073 69 2PZ -0.02553 -0.00998 0.02036 -0.00221 -0.01968 70 3S 0.02694 0.00950 -0.02090 0.02251 0.02120 71 3PX 0.01283 0.03082 0.01443 0.01836 0.03215 72 3PY -0.01098 0.01088 -0.00280 0.02829 -0.00432 73 3PZ -0.03098 -0.04749 0.00308 -0.00160 -0.04777 74 4XX -0.00225 -0.00095 0.00070 0.00294 -0.00684 75 4YY 0.00125 -0.00333 -0.00427 -0.00464 0.00077 76 4ZZ 0.00145 0.00431 0.00339 0.00228 0.00737 77 4XY 0.00273 -0.00771 -0.00248 -0.00046 -0.00041 78 4XZ 0.00143 -0.00618 -0.00823 -0.00940 -0.00240 79 4YZ 0.00116 -0.00448 -0.00306 -0.00142 -0.00507 80 6 C 1S 0.00462 -0.00950 -0.00055 0.00178 0.01101 81 2S -0.01620 0.02031 0.00057 -0.00308 -0.01967 82 2PX -0.02216 0.03342 -0.00324 -0.01134 -0.00322 83 2PY 0.01012 -0.00416 -0.00370 -0.00870 0.03347 84 2PZ 0.00046 0.00036 0.00482 0.00306 -0.01630 85 3S -0.00158 0.05677 0.01015 -0.00482 0.00284 86 3PX -0.00294 0.02669 0.01302 -0.03796 0.00479 87 3PY 0.01267 0.00111 -0.01880 -0.00283 0.02417 88 3PZ 0.00766 0.00399 0.00966 -0.00264 -0.00896 89 4XX -0.00137 0.00059 0.00010 -0.00101 -0.00134 90 4YY -0.00150 -0.00069 0.00008 -0.00026 -0.00322 91 4ZZ 0.00114 -0.00028 -0.00019 0.00205 0.00158 92 4XY -0.00050 -0.00117 -0.00078 -0.00211 -0.00045 93 4XZ -0.00101 0.00122 0.00003 -0.00018 -0.00067 94 4YZ 0.00032 0.00022 -0.00097 -0.00113 -0.00035 95 7 C 1S 0.00123 -0.01365 0.00488 0.00927 0.00594 96 2S -0.01375 0.03608 -0.00979 -0.02307 -0.00331 97 2PX -0.03334 0.05258 -0.01249 -0.05551 0.01077 98 2PY -0.00527 -0.01803 0.00720 0.00981 -0.02504 99 2PZ 0.02932 0.01161 -0.00972 0.01485 0.03028 100 3S 0.02340 0.06509 -0.03787 -0.00994 0.07648 101 3PX -0.00227 0.06398 -0.02787 -0.02196 0.05694 102 3PY -0.00240 -0.00657 0.00642 -0.01858 -0.03275 103 3PZ 0.03106 0.01734 -0.00639 0.02889 0.03034 104 4XX 0.00012 -0.00979 0.00307 0.00520 -0.00343 105 4YY -0.00188 0.00419 -0.00070 -0.00042 -0.00252 106 4ZZ 0.00009 0.00288 -0.00081 -0.00253 0.00184 107 4XY 0.00008 0.00289 0.00016 -0.00176 0.00190 108 4XZ -0.00232 0.00991 -0.00242 -0.00541 0.00204 109 4YZ -0.00031 -0.00483 0.00083 0.00269 -0.00240 110 8 C 1S 0.00701 0.03997 -0.01186 -0.02873 0.04908 111 2S -0.02609 -0.06423 0.01546 0.05602 -0.05791 112 2PX 0.03420 -0.17400 0.05086 0.17610 -0.07087 113 2PY -0.00161 0.02233 0.01277 -0.02136 0.02788 114 2PZ -0.06860 0.20664 -0.04500 -0.19259 0.04401 115 3S -0.07824 -0.21986 0.09548 0.04634 -0.26961 116 3PX -0.00466 -0.08422 0.03506 0.10588 -0.04190 117 3PY -0.00950 0.04636 0.01060 -0.00226 0.04734 118 3PZ 0.01921 0.16356 -0.06799 -0.08046 0.13500 119 4XX 0.00886 0.00874 -0.00255 0.00708 0.01025 120 4YY -0.00827 0.00551 -0.00100 -0.00763 -0.00194 121 4ZZ 0.00472 -0.01423 0.00321 0.00425 -0.00334 122 4XY -0.00120 0.00009 0.00398 -0.00088 -0.00107 123 4XZ -0.01607 0.00939 -0.00169 -0.01565 -0.00329 124 4YZ 0.00056 -0.00273 -0.00411 0.00119 -0.00211 125 9 C 1S 0.01022 -0.00504 -0.00024 0.01042 0.01271 126 2S -0.02491 0.00799 0.00813 -0.03136 -0.01851 127 2PX -0.06438 -0.00612 0.00637 -0.02194 -0.02745 128 2PY -0.02015 0.02791 -0.00408 -0.02337 -0.02243 129 2PZ 0.04613 -0.01451 0.00404 0.03254 0.03517 130 3S -0.02868 0.04076 -0.01151 -0.00619 0.01908 131 3PX -0.06146 0.00614 0.00587 -0.04074 -0.02769 132 3PY -0.01284 0.03095 0.00625 -0.01657 0.00054 133 3PZ 0.03046 -0.02990 0.02008 0.00285 0.00074 134 4XX 0.00422 -0.00124 0.00021 0.00359 0.00271 135 4YY -0.00298 0.00294 0.00030 -0.00430 -0.00138 136 4ZZ 0.00130 -0.00421 0.00049 0.00254 0.00131 137 4XY 0.00019 -0.00592 0.00079 0.00551 -0.00375 138 4XZ -0.00118 0.00193 0.00262 -0.00225 0.00090 139 4YZ -0.00065 0.00567 -0.00038 -0.00573 0.00266 140 10 H 1S -0.00211 -0.00103 -0.00264 0.00384 -0.00629 141 2S -0.00737 0.00127 -0.00368 -0.00257 -0.02135 142 11 H 1S 0.02108 -0.04341 -0.03360 -0.02885 -0.00718 143 2S -0.00096 -0.07580 -0.03293 -0.03012 -0.04279 144 12 H 1S -0.03889 0.01888 0.00034 -0.04184 -0.02286 145 2S -0.03759 0.00596 -0.00218 -0.06092 -0.03827 146 13 H 1S 0.00947 -0.01716 0.00864 0.01577 0.01089 147 2S 0.01032 -0.01543 0.00402 0.03241 0.01484 148 14 C 1S -0.00150 0.00082 -0.00059 -0.00132 -0.00158 149 2S 0.00275 -0.00086 0.00146 0.00298 0.00353 150 2PX 0.00522 -0.01402 0.00370 0.01056 0.00832 151 2PY 0.00050 -0.00967 -0.00162 0.00513 0.00043 152 2PZ 0.00391 0.00682 -0.00484 -0.01317 -0.00845 153 3S 0.00666 0.00673 0.01255 -0.01803 0.01076 154 3PX 0.00276 -0.01303 0.00529 0.00046 0.00208 155 3PY 0.00011 -0.00417 0.00625 0.01102 0.00550 156 3PZ 0.00129 0.00860 -0.00176 -0.02151 -0.00402 157 4XX -0.00011 0.00046 -0.00012 -0.00033 0.00046 158 4YY -0.00042 0.00005 -0.00018 -0.00042 -0.00080 159 4ZZ 0.00051 -0.00050 0.00041 0.00027 -0.00001 160 4XY 0.00030 0.00027 0.00027 0.00002 0.00150 161 4XZ 0.00034 -0.00047 0.00034 -0.00005 -0.00004 162 4YZ 0.00024 0.00002 0.00004 0.00006 0.00091 163 15 H 1S -0.00253 0.00092 -0.00258 -0.00206 -0.00559 164 2S -0.00583 -0.00281 -0.00490 -0.00528 -0.01469 165 16 H 1S -0.00009 0.00223 0.00255 0.00172 0.00517 166 2S 0.00054 -0.00240 0.00308 -0.00102 0.00417 167 17 C 1S -0.00200 0.00499 -0.00099 -0.00594 0.00766 168 2S 0.00335 -0.01388 0.00502 0.01136 -0.01850 169 2PX -0.00711 0.03615 -0.01062 -0.02096 -0.00348 170 2PY -0.01162 0.04841 -0.01204 -0.04290 0.02013 171 2PZ 0.01815 -0.06375 0.01464 0.05006 0.00191 172 3S -0.00687 -0.01726 0.00205 0.03125 -0.00259 173 3PX -0.01065 0.03677 -0.01392 -0.02203 0.00026 174 3PY -0.00281 0.03464 -0.00753 -0.02920 0.00479 175 3PZ 0.00769 -0.06655 0.01735 0.03134 -0.01977 176 4XX -0.00133 0.00159 0.00026 -0.00235 -0.00041 177 4YY 0.00141 -0.00146 0.00052 0.00099 0.00014 178 4ZZ -0.00036 -0.00007 0.00039 -0.00096 -0.00051 179 4XY 0.00064 -0.00254 0.00057 0.00194 -0.00053 180 4XZ 0.00053 0.00024 -0.00017 -0.00025 0.00044 181 4YZ -0.00083 -0.00088 0.00040 0.00020 -0.00142 182 18 H 1S 0.00201 -0.00781 0.00183 0.00411 -0.00203 183 2S 0.00376 -0.00526 -0.00019 0.00445 0.00553 184 19 H 1S -0.00238 0.01111 -0.00176 -0.01122 0.00342 185 2S -0.00384 0.02379 -0.00784 -0.02095 0.00950 11 12 13 14 15 11 4PX 0.08606 12 4PY -0.00799 0.07301 13 4PZ 0.00630 -0.00222 0.05614 14 5XX -0.00602 0.00711 -0.00033 0.01015 15 5YY 0.00209 0.00241 0.01725 -0.00887 0.02916 16 5ZZ -0.00441 -0.00285 -0.02147 0.00219 -0.01765 17 5XY 0.01061 0.02322 -0.00651 0.00108 0.00441 18 5XZ -0.00101 -0.00644 0.00718 0.00020 0.00472 19 5YZ 0.00380 0.01423 0.01292 0.00561 0.00146 20 2 O 1S -0.00193 0.00786 -0.00303 0.00978 -0.01632 21 2S 0.00638 -0.01946 0.00742 -0.02168 0.03425 22 2PX 0.10367 0.13211 -0.06485 -0.00917 0.00924 23 2PY 0.03864 0.03462 0.09083 0.03421 0.00351 24 2PZ 0.00567 0.07502 0.12087 -0.02424 0.10386 25 3S 0.00695 -0.04887 0.02006 -0.01826 0.04394 26 3PX 0.05708 0.10080 -0.04980 -0.00483 0.00632 27 3PY 0.02865 0.02417 0.06078 0.01702 0.00769 28 3PZ 0.00536 0.04823 0.08491 -0.01447 0.07388 29 4XX 0.00017 0.00203 -0.00096 0.00120 -0.00198 30 4YY -0.00284 -0.00239 -0.00916 -0.00161 -0.00324 31 4ZZ 0.00008 0.00693 0.00716 -0.00022 0.00391 32 4XY -0.00846 -0.00609 0.00326 0.00064 -0.00025 33 4XZ 0.00489 0.00436 -0.00123 -0.00034 0.00040 34 4YZ 0.00058 -0.00311 -0.00527 0.00202 -0.00525 35 3 O 1S -0.00935 -0.01469 0.00344 0.00328 -0.00715 36 2S 0.02549 0.02989 -0.00485 -0.00513 0.01371 37 2PX -0.01720 -0.04417 -0.01821 -0.03435 0.05189 38 2PY -0.02012 0.11402 -0.01293 0.03511 -0.02304 39 2PZ -0.02289 -0.03476 0.04160 0.00465 0.05282 40 3S 0.03195 0.09132 -0.00700 -0.01535 0.04397 41 3PX -0.01046 -0.02463 -0.00615 -0.02477 0.04076 42 3PY -0.00829 0.08865 -0.00575 0.02393 -0.01304 43 3PZ -0.01588 -0.01325 0.02748 0.00090 0.04474 44 4XX 0.00328 -0.00412 0.00060 0.00037 -0.00236 45 4YY -0.00313 0.00082 -0.00240 0.00100 -0.00272 46 4ZZ -0.00171 -0.00439 0.00204 0.00034 0.00147 47 4XY 0.00153 -0.00221 -0.00063 -0.00125 0.00129 48 4XZ 0.00021 -0.00211 0.00004 -0.00141 0.00141 49 4YZ -0.00212 0.00454 0.00072 0.00140 0.00052 50 4 C 1S -0.00265 -0.00588 0.00244 0.00018 0.00099 51 2S 0.00343 0.01355 -0.00546 0.00077 -0.00443 52 2PX 0.01000 -0.04028 0.00273 -0.00800 0.01324 53 2PY 0.00429 0.02098 -0.00804 -0.00012 -0.00343 54 2PZ -0.00894 -0.00775 0.01218 -0.00141 0.00565 55 3S 0.01057 0.01065 -0.00440 -0.00393 -0.00202 56 3PX 0.00887 -0.03182 0.00289 -0.00749 0.01528 57 3PY 0.00364 0.00424 -0.00630 -0.00285 -0.00071 58 3PZ -0.00678 -0.00695 0.00635 -0.00048 0.00619 59 4XX -0.00042 -0.00103 -0.00012 -0.00024 0.00018 60 4YY 0.00033 -0.00048 0.00035 0.00012 0.00002 61 4ZZ -0.00027 0.00140 -0.00015 0.00061 -0.00066 62 4XY -0.00029 -0.00057 -0.00025 -0.00008 0.00027 63 4XZ -0.00018 0.00058 -0.00092 -0.00021 -0.00023 64 4YZ -0.00056 0.00056 0.00003 0.00001 0.00011 65 5 C 1S -0.00347 0.00306 0.00045 -0.00225 0.00055 66 2S 0.01056 -0.01034 -0.00006 0.00205 -0.00221 67 2PX 0.01886 0.00269 0.01673 0.01213 -0.01013 68 2PY 0.02337 -0.02010 0.01650 0.00012 0.00225 69 2PZ 0.00529 0.02179 -0.01348 -0.00291 0.00039 70 3S 0.00151 -0.00482 -0.00039 0.00577 -0.00624 71 3PX 0.00414 -0.00727 0.00535 0.00296 -0.00492 72 3PY 0.00713 0.00359 0.00767 0.00361 -0.00295 73 3PZ -0.00533 0.01403 -0.00682 0.00233 0.00286 74 4XX 0.00069 -0.00341 0.00233 -0.00051 0.00196 75 4YY -0.00123 0.00042 -0.00025 0.00025 0.00009 76 4ZZ 0.00031 0.00253 -0.00123 0.00014 -0.00195 77 4XY -0.00123 0.00507 0.00056 0.00203 -0.00114 78 4XZ -0.00199 -0.00118 -0.00105 -0.00034 0.00154 79 4YZ -0.00128 -0.00258 -0.00025 -0.00090 0.00142 80 6 C 1S -0.00669 0.00670 -0.00189 0.00197 -0.00232 81 2S 0.00911 -0.01439 0.00407 -0.00555 0.00694 82 2PX 0.00602 -0.01896 -0.00076 -0.00619 0.00754 83 2PY -0.00950 0.02865 -0.00041 0.00640 -0.00698 84 2PZ 0.00560 0.00572 0.00458 -0.00273 -0.00041 85 3S 0.01260 -0.02835 -0.00085 -0.01460 0.00179 86 3PX 0.00862 -0.00097 -0.00686 -0.00175 0.00327 87 3PY -0.00223 0.02380 -0.00437 0.00619 -0.01142 88 3PZ 0.00717 0.01009 -0.00298 0.00030 -0.00456 89 4XX 0.00138 0.00013 -0.00059 0.00077 -0.00031 90 4YY -0.00006 -0.00039 -0.00088 -0.00065 0.00060 91 4ZZ -0.00099 0.00038 0.00115 -0.00007 0.00010 92 4XY 0.00018 0.00116 -0.00101 0.00048 -0.00027 93 4XZ 0.00071 -0.00010 -0.00058 -0.00002 0.00021 94 4YZ -0.00003 -0.00074 0.00050 -0.00010 0.00015 95 7 C 1S -0.01243 0.00570 0.00147 -0.00256 -0.00018 96 2S 0.02115 -0.00572 -0.00577 0.00496 0.00003 97 2PX 0.03923 -0.01022 -0.03437 0.01562 -0.00357 98 2PY -0.00323 -0.00082 -0.00884 -0.00292 -0.00051 99 2PZ -0.00385 -0.01504 0.02447 -0.00039 0.00226 100 3S 0.01290 -0.03509 0.00728 0.00222 -0.00276 101 3PX 0.01974 -0.01640 -0.01357 0.00500 -0.01050 102 3PY 0.00715 0.00410 -0.01807 0.00007 -0.00232 103 3PZ -0.00110 -0.00131 0.00807 -0.00096 -0.01009 104 4XX -0.00207 0.00197 -0.00149 0.00074 -0.00143 105 4YY 0.00177 -0.00061 -0.00015 -0.00065 0.00063 106 4ZZ -0.00010 0.00014 0.00079 -0.00046 0.00063 107 4XY 0.00040 0.00025 0.00073 -0.00035 0.00043 108 4XZ 0.00364 -0.00054 -0.00102 0.00006 0.00022 109 4YZ -0.00189 0.00032 0.00050 -0.00032 -0.00016 110 8 C 1S -0.00441 -0.00499 0.01664 -0.00197 0.00764 111 2S 0.00063 0.00629 -0.02668 0.00508 -0.01464 112 2PX -0.05488 0.03106 -0.00579 -0.00876 -0.02185 113 2PY 0.00962 0.01046 -0.00595 0.00262 -0.00256 114 2PZ 0.04122 -0.02751 0.02066 -0.02175 0.03304 115 3S -0.01524 0.04968 -0.08645 0.00528 -0.02418 116 3PX -0.02780 0.01384 -0.02088 -0.00650 -0.02401 117 3PY 0.00744 -0.00947 0.02219 -0.00376 0.01587 118 3PZ 0.02343 -0.03808 0.02814 -0.00848 0.00817 119 4XX 0.00212 -0.00122 0.00244 0.00022 -0.00079 120 4YY 0.00091 -0.00101 -0.00041 -0.00094 0.00114 121 4ZZ -0.00384 0.00211 -0.00059 0.00055 -0.00076 122 4XY -0.00043 0.00199 0.00080 -0.00047 0.00073 123 4XZ 0.00309 -0.00097 -0.00226 -0.00008 0.00154 124 4YZ -0.00036 0.00027 -0.00072 -0.00021 -0.00083 125 9 C 1S -0.00366 -0.00164 0.00286 0.00135 -0.00277 126 2S 0.00154 0.00010 -0.00441 -0.00331 0.00504 127 2PX -0.00392 -0.02334 -0.01237 -0.00703 0.00120 128 2PY 0.01049 -0.00508 -0.00099 -0.00281 0.00598 129 2PZ -0.00704 0.01389 0.00814 0.00759 -0.00479 130 3S 0.00672 0.00042 0.01994 -0.00365 0.01647 131 3PX 0.00275 -0.01435 -0.01118 -0.00461 0.00413 132 3PY 0.00751 -0.00654 0.01359 -0.00392 0.01486 133 3PZ -0.00824 0.00954 -0.00400 0.00461 -0.00504 134 4XX -0.00058 0.00071 0.00043 0.00034 -0.00077 135 4YY 0.00084 -0.00161 0.00023 -0.00051 0.00098 136 4ZZ -0.00106 0.00107 -0.00050 0.00069 -0.00080 137 4XY -0.00149 0.00151 -0.00033 -0.00011 -0.00055 138 4XZ 0.00045 0.00150 -0.00033 0.00015 0.00007 139 4YZ 0.00101 -0.00056 0.00054 -0.00056 0.00078 140 10 H 1S -0.00106 -0.00772 0.00469 0.00015 0.00132 141 2S 0.00104 -0.01452 0.00446 -0.00203 0.00488 142 11 H 1S -0.01673 0.00103 -0.00530 0.00045 0.00306 143 2S -0.02074 0.01370 -0.00528 0.00173 0.00624 144 12 H 1S 0.00658 0.00457 -0.00904 -0.00791 0.00270 145 2S 0.00390 0.01092 -0.00627 -0.00602 0.00773 146 13 H 1S -0.00596 0.00844 -0.00126 0.00388 -0.00381 147 2S -0.00432 0.00944 -0.00064 0.00449 -0.00596 148 14 C 1S -0.00049 -0.00131 0.00014 -0.00113 0.00088 149 2S 0.00102 0.00250 -0.00006 0.00220 -0.00161 150 2PX -0.00864 0.00613 0.00148 0.00181 -0.00073 151 2PY -0.00815 -0.00191 0.00066 -0.00188 0.00220 152 2PZ 0.01415 -0.00052 -0.00283 0.00394 -0.00342 153 3S 0.00781 0.01448 -0.00635 0.00719 -0.00463 154 3PX -0.00630 0.00808 -0.00142 0.00175 -0.00041 155 3PY -0.00756 -0.00314 0.00348 -0.00281 0.00297 156 3PZ 0.01190 0.00134 -0.00382 0.00366 -0.00190 157 4XX -0.00018 -0.00054 0.00005 -0.00012 0.00024 158 4YY 0.00008 -0.00037 -0.00013 -0.00019 0.00028 159 4ZZ -0.00006 0.00056 0.00030 0.00004 -0.00015 160 4XY -0.00023 0.00120 0.00005 0.00025 -0.00029 161 4XZ 0.00001 0.00056 0.00009 0.00009 -0.00016 162 4YZ -0.00032 0.00056 0.00012 0.00008 -0.00011 163 15 H 1S 0.00101 -0.00606 -0.00074 -0.00129 0.00184 164 2S 0.00075 -0.00952 -0.00182 -0.00242 0.00332 165 16 H 1S -0.00090 0.00454 0.00082 0.00035 -0.00092 166 2S -0.00321 0.00674 0.00138 -0.00010 -0.00025 167 17 C 1S 0.00056 0.00133 -0.00097 0.00110 0.00015 168 2S -0.00272 -0.00073 -0.00005 -0.00220 -0.00046 169 2PX 0.01639 -0.00572 -0.00746 -0.00027 0.00182 170 2PY 0.02315 0.00161 -0.01552 0.00550 -0.00011 171 2PZ -0.03530 0.00393 0.02196 -0.00346 -0.00261 172 3S -0.00942 -0.00202 0.00943 -0.00215 0.00019 173 3PX 0.01715 -0.00501 -0.00218 0.00055 0.00580 174 3PY 0.01836 -0.00081 -0.00966 0.00283 0.00181 175 3PZ -0.02849 0.00508 0.01261 -0.00205 0.00032 176 4XX 0.00140 0.00014 -0.00137 0.00045 -0.00003 177 4YY -0.00099 0.00026 0.00097 -0.00017 -0.00008 178 4ZZ 0.00008 0.00056 -0.00067 0.00006 -0.00010 179 4XY -0.00140 0.00058 0.00064 -0.00031 -0.00010 180 4XZ -0.00006 -0.00010 0.00032 -0.00005 0.00004 181 4YZ -0.00015 0.00072 -0.00068 -0.00008 -0.00022 182 18 H 1S -0.00433 0.00290 0.00113 -0.00074 -0.00098 183 2S -0.00542 0.00496 0.00078 -0.00086 -0.00289 184 19 H 1S 0.00782 -0.00095 -0.00491 0.00198 0.00018 185 2S 0.01228 -0.00456 -0.00365 0.00266 0.00238 16 17 18 19 20 16 5ZZ 0.01868 17 5XY -0.00216 0.02405 18 5XZ -0.00668 -0.00556 0.01611 19 5YZ -0.00535 0.00534 0.00392 0.02055 20 2 O 1S 0.00242 0.00077 -0.00045 0.01586 2.07969 21 2S -0.00473 -0.00133 0.00048 -0.03602 -0.18622 22 2PX 0.01155 0.11228 -0.06288 0.00040 0.00018 23 2PY -0.02371 0.01622 0.00844 0.07833 -0.03403 24 2PZ -0.08879 0.00343 0.02545 0.03229 0.01842 25 3S -0.00769 0.00439 -0.00186 -0.02644 -0.25306 26 3PX 0.00970 0.08287 -0.04816 0.00032 0.00035 27 3PY -0.01986 0.00669 0.00908 0.04526 -0.02612 28 3PZ -0.06304 0.00543 0.01905 0.02830 0.01307 29 4XX 0.00082 0.00036 -0.00023 0.00095 -0.01186 30 4YY 0.00373 -0.00078 -0.00053 -0.00591 -0.01472 31 4ZZ -0.00397 0.00048 0.00067 0.00327 -0.01324 32 4XY -0.00063 -0.00593 0.00341 0.00000 -0.00036 33 4XZ 0.00008 0.00361 -0.00164 0.00032 -0.00006 34 4YZ 0.00406 0.00017 -0.00080 0.00007 0.00126 35 3 O 1S 0.00071 -0.00930 -0.00359 -0.01196 0.00088 36 2S 0.00103 0.01683 0.00853 0.02583 -0.00060 37 2PX -0.00837 0.01610 -0.00578 0.03026 -0.00641 38 2PY -0.00731 0.05038 0.04678 0.04803 0.01053 39 2PZ -0.05331 0.05031 -0.00176 -0.00664 -0.00990 40 3S -0.00787 0.04513 0.00092 0.04281 -0.01184 41 3PX -0.00923 0.01146 -0.00811 0.01736 -0.00625 42 3PY -0.00734 0.03701 0.03146 0.03174 0.00519 43 3PZ -0.04025 0.04274 -0.00351 -0.00327 -0.01012 44 4XX 0.00095 -0.00308 0.00096 -0.00096 0.00072 45 4YY 0.00143 -0.00101 0.00187 0.00046 0.00106 46 4ZZ -0.00187 0.00122 -0.00077 -0.00099 -0.00055 47 4XY -0.00011 0.00024 0.00003 0.00041 -0.00027 48 4XZ -0.00001 -0.00009 -0.00002 0.00154 -0.00046 49 4YZ -0.00145 0.00370 0.00121 0.00207 0.00001 50 4 C 1S -0.00138 0.00129 -0.00184 -0.00156 -0.00067 51 2S 0.00310 -0.00297 0.00458 0.00368 0.00191 52 2PX -0.00910 -0.00194 0.00834 -0.00875 -0.00174 53 2PY 0.00305 -0.00230 0.00217 0.00601 0.00203 54 2PZ -0.00351 0.00414 -0.00554 -0.00116 -0.00171 55 3S 0.00508 -0.01055 0.00938 0.00666 0.00539 56 3PX -0.00992 -0.00078 0.00688 -0.00520 -0.00102 57 3PY 0.00399 -0.00285 -0.00002 0.00082 0.00191 58 3PZ -0.00484 0.00192 -0.00397 -0.00234 0.00002 59 4XX 0.00008 0.00004 -0.00010 -0.00007 -0.00005 60 4YY -0.00009 0.00012 0.00016 -0.00075 0.00002 61 4ZZ -0.00001 -0.00026 0.00007 0.00036 0.00019 62 4XY -0.00014 0.00056 -0.00013 -0.00042 -0.00012 63 4XZ 0.00052 -0.00016 0.00017 0.00049 0.00007 64 4YZ -0.00015 0.00012 0.00010 0.00033 0.00011 65 5 C 1S 0.00023 0.00080 0.00051 0.00320 -0.00012 66 2S -0.00162 -0.00524 0.00136 -0.00747 -0.00004 67 2PX -0.00734 -0.00480 0.00196 -0.01918 0.00119 68 2PY -0.00336 -0.00130 0.00001 -0.01127 -0.00205 69 2PZ 0.00551 0.00040 0.00121 0.01053 0.00076 70 3S -0.00180 0.00408 -0.00507 -0.00562 0.00442 71 3PX -0.00146 -0.00682 -0.00180 -0.00939 0.00186 72 3PY -0.00086 0.00685 -0.00264 -0.00284 0.00000 73 3PZ -0.00200 0.00856 -0.00334 0.00277 0.00049 74 4XX -0.00134 0.00025 -0.00089 -0.00154 -0.00060 75 4YY -0.00023 0.00073 0.00090 0.00102 0.00019 76 4ZZ 0.00162 -0.00155 0.00046 0.00079 0.00044 77 4XY -0.00070 0.00208 0.00074 0.00070 0.00021 78 4XZ -0.00106 0.00143 0.00063 0.00104 -0.00009 79 4YZ -0.00037 0.00030 -0.00080 -0.00017 -0.00030 80 6 C 1S -0.00027 0.00124 -0.00053 0.00044 0.00077 81 2S -0.00102 -0.00106 -0.00023 -0.00123 -0.00035 82 2PX -0.00181 -0.00301 0.00044 -0.00111 -0.00049 83 2PY -0.00087 0.00403 0.00542 0.00401 0.00304 84 2PZ 0.00331 0.00096 0.00321 -0.00019 -0.00090 85 3S 0.01142 -0.01043 0.00131 -0.00791 -0.00880 86 3PX -0.00207 -0.00218 0.00313 0.00068 -0.00315 87 3PY 0.00477 0.00927 0.00321 0.00210 0.00026 88 3PZ 0.00453 0.00302 -0.00003 -0.00137 -0.00233 89 4XX -0.00043 0.00040 -0.00026 -0.00047 0.00011 90 4YY 0.00026 0.00020 -0.00042 0.00016 0.00010 91 4ZZ -0.00005 0.00015 -0.00009 0.00014 -0.00004 92 4XY -0.00016 0.00034 0.00001 0.00033 0.00016 93 4XZ -0.00012 0.00000 -0.00045 0.00014 -0.00014 94 4YZ -0.00011 0.00022 0.00020 -0.00035 -0.00016 95 7 C 1S 0.00183 0.00138 -0.00018 -0.00075 -0.00027 96 2S -0.00384 0.00104 -0.00161 0.00153 0.00205 97 2PX -0.01156 -0.00762 -0.00728 0.00566 0.00280 98 2PY 0.00514 0.00249 -0.00340 -0.00307 0.00167 99 2PZ -0.00278 -0.00246 0.00294 -0.00025 -0.00265 100 3S -0.00407 -0.01935 0.00790 -0.00052 -0.00377 101 3PX 0.00276 -0.01258 0.00541 0.00041 0.00109 102 3PY 0.00368 0.00817 -0.00792 -0.00690 -0.00906 103 3PZ 0.00989 0.00083 -0.00156 -0.00340 -0.00414 104 4XX 0.00108 0.00018 -0.00160 0.00023 0.00006 105 4YY 0.00000 0.00058 -0.00011 -0.00051 -0.00006 106 4ZZ -0.00034 0.00018 0.00081 0.00024 0.00021 107 4XY -0.00027 -0.00038 0.00095 0.00042 0.00011 108 4XZ -0.00041 -0.00013 0.00054 0.00036 0.00033 109 4YZ 0.00063 0.00048 -0.00041 -0.00006 0.00004 110 8 C 1S -0.00854 -0.00192 0.01299 0.00058 -0.00033 111 2S 0.01682 -0.00023 -0.02251 -0.00011 0.00133 112 2PX 0.03651 0.00765 -0.02826 -0.00204 0.00045 113 2PY 0.00007 -0.01027 0.00476 0.02155 0.00442 114 2PZ -0.01647 -0.00412 0.04656 0.00080 -0.00379 115 3S 0.03868 0.03844 -0.06488 -0.01663 -0.00148 116 3PX 0.03481 -0.00045 -0.02160 -0.00608 -0.00312 117 3PY -0.01484 -0.01914 0.01409 0.01904 0.00574 118 3PZ -0.00841 -0.02144 0.03730 0.00427 0.00223 119 4XX -0.00007 -0.00108 -0.00003 0.00066 0.00001 120 4YY -0.00021 0.00017 0.00138 -0.00066 -0.00056 121 4ZZ 0.00046 0.00003 -0.00082 0.00046 0.00009 122 4XY -0.00023 -0.00033 0.00077 0.00053 0.00015 123 4XZ -0.00121 0.00010 0.00174 0.00027 -0.00010 124 4YZ 0.00129 0.00096 -0.00049 0.00047 -0.00017 125 9 C 1S 0.00059 -0.00102 -0.00126 0.00268 0.00084 126 2S -0.00130 0.00131 0.00346 -0.00662 -0.00003 127 2PX 0.00684 0.00261 -0.00387 -0.00919 -0.00303 128 2PY -0.00163 0.00417 0.00294 -0.01230 -0.00238 129 2PZ -0.00273 -0.00384 0.00028 0.00914 0.00243 130 3S -0.01497 -0.00187 0.01223 0.00587 -0.00455 131 3PX 0.00141 0.00289 0.00031 -0.00492 -0.00016 132 3PY -0.01187 -0.00420 0.00880 -0.00019 -0.00005 133 3PZ 0.00118 -0.00228 -0.00190 0.00010 0.00641 134 4XX 0.00036 -0.00049 -0.00012 0.00053 0.00052 135 4YY -0.00044 -0.00031 0.00060 -0.00031 0.00011 136 4ZZ 0.00015 -0.00014 -0.00031 0.00049 0.00047 137 4XY 0.00098 0.00056 -0.00101 0.00005 -0.00008 138 4XZ -0.00022 -0.00041 0.00056 0.00039 0.00009 139 4YZ -0.00054 -0.00032 0.00139 0.00035 0.00003 140 10 H 1S -0.00087 0.00165 -0.00125 -0.00397 -0.00105 141 2S -0.00202 0.00283 -0.00266 -0.00737 -0.00190 142 11 H 1S -0.00277 0.00580 0.00063 0.00472 0.00004 143 2S -0.00505 0.01495 -0.00095 0.00725 -0.00081 144 12 H 1S 0.00792 -0.00084 0.00645 0.00800 0.00013 145 2S 0.00052 0.00819 0.00761 0.00507 -0.00329 146 13 H 1S 0.00045 -0.00129 -0.00177 0.00338 0.00109 147 2S 0.00207 -0.00102 -0.00410 0.00512 -0.00090 148 14 C 1S 0.00002 -0.00012 0.00038 0.00013 -0.00016 149 2S -0.00039 0.00025 -0.00079 -0.00040 0.00018 150 2PX -0.00079 0.00056 -0.00248 0.00212 0.00033 151 2PY 0.00003 0.00032 -0.00194 0.00191 -0.00038 152 2PZ -0.00078 0.00064 0.00163 -0.00235 0.00022 153 3S -0.00259 0.00116 0.00071 0.00125 0.00083 154 3PX -0.00084 0.00187 -0.00188 0.00239 0.00014 155 3PY -0.00019 -0.00355 -0.00083 0.00187 0.00060 156 3PZ -0.00218 0.00013 0.00303 -0.00115 0.00053 157 4XX -0.00014 -0.00014 0.00000 0.00005 0.00003 158 4YY -0.00005 0.00004 -0.00005 0.00002 -0.00008 159 4ZZ 0.00010 0.00003 0.00021 -0.00001 -0.00004 160 4XY -0.00003 0.00004 0.00024 0.00014 0.00013 161 4XZ 0.00007 0.00002 0.00016 0.00004 0.00004 162 4YZ -0.00001 0.00006 0.00013 0.00006 0.00006 163 15 H 1S -0.00026 -0.00030 -0.00096 -0.00031 -0.00050 164 2S -0.00028 0.00095 -0.00212 -0.00098 -0.00148 165 16 H 1S 0.00045 0.00016 0.00122 0.00008 0.00039 166 2S 0.00019 0.00021 0.00233 0.00110 0.00065 167 17 C 1S -0.00124 -0.00094 0.00061 0.00124 0.00020 168 2S 0.00331 0.00329 -0.00274 -0.00338 0.00044 169 2PX -0.00177 0.00100 0.00180 -0.00266 0.00226 170 2PY -0.00780 -0.00397 0.00290 0.00352 0.00164 171 2PZ 0.00677 0.00196 -0.00229 -0.00179 -0.00284 172 3S 0.00264 -0.00226 0.00236 0.00078 0.00530 173 3PX -0.00670 0.00013 0.00355 0.00151 0.00137 174 3PY -0.00597 -0.00020 0.00030 0.00021 -0.00149 175 3PZ 0.00336 0.00456 -0.00463 -0.00149 -0.00171 176 4XX -0.00041 -0.00013 -0.00026 0.00033 0.00041 177 4YY 0.00024 0.00016 0.00019 -0.00014 0.00017 178 4ZZ 0.00002 0.00016 -0.00011 0.00000 0.00032 179 4XY 0.00040 0.00025 -0.00002 -0.00023 -0.00018 180 4XZ -0.00005 0.00001 0.00010 0.00002 -0.00002 181 4YZ 0.00037 0.00028 -0.00013 -0.00015 0.00009 182 18 H 1S 0.00136 0.00144 -0.00008 -0.00146 0.00023 183 2S 0.00325 0.00036 0.00137 -0.00055 0.00045 184 19 H 1S -0.00267 -0.00177 -0.00022 0.00207 0.00011 185 2S -0.00579 -0.00243 0.00113 0.00354 0.00025 21 22 23 24 25 21 2S 0.52065 22 2PX 0.00702 0.74551 23 2PY 0.06318 -0.02990 0.57618 24 2PZ -0.03828 -0.01095 0.04650 0.66296 25 3S 0.60318 -0.02319 0.21843 -0.11077 0.79254 26 3PX 0.00423 0.53803 -0.02558 -0.01295 -0.01472 27 3PY 0.05052 -0.02394 0.32523 0.07614 0.12392 28 3PZ -0.02852 -0.01107 0.07470 0.44708 -0.05587 29 4XX -0.00947 0.00289 0.00207 -0.00344 -0.01131 30 4YY -0.00245 0.00330 -0.04341 -0.01684 -0.01490 31 4ZZ -0.00642 0.00225 0.00993 0.03415 -0.01081 32 4XY 0.00063 -0.04180 0.00063 0.00163 0.00229 33 4XZ 0.00031 0.02434 0.00135 0.00165 -0.00094 34 4YZ -0.00302 0.00029 0.00765 -0.03262 0.00327 35 3 O 1S -0.00134 -0.02027 -0.01267 -0.01826 -0.01032 36 2S -0.00275 0.02784 0.02747 0.02909 0.02348 37 2PX 0.00650 0.02967 0.00686 0.05449 0.08199 38 2PY -0.01662 0.08320 0.13231 0.06143 -0.08362 39 2PZ 0.01356 0.05923 -0.00624 0.03971 0.10736 40 3S 0.02950 0.18453 0.05965 0.15051 0.06131 41 3PX 0.00922 0.03966 0.00399 0.06516 0.06068 42 3PY -0.00393 0.08109 0.09472 0.06399 -0.05513 43 3PZ 0.01694 0.08292 -0.00562 0.05137 0.08454 44 4XX -0.00228 -0.01130 -0.00014 -0.00638 -0.00375 45 4YY -0.00246 -0.00850 -0.00370 -0.00523 -0.00743 46 4ZZ 0.00015 -0.00189 -0.00044 -0.00385 0.00559 47 4XY 0.00032 0.00026 -0.00302 -0.00023 0.00180 48 4XZ 0.00067 -0.00099 0.00250 0.00250 0.00280 49 4YZ 0.00016 0.00661 0.00416 0.00429 -0.00028 50 4 C 1S 0.00096 0.00261 -0.00202 -0.00018 0.00738 51 2S -0.00296 -0.00571 0.00435 -0.00003 -0.01957 52 2PX 0.00048 -0.02614 -0.00754 0.04819 0.02331 53 2PY -0.00325 -0.00074 0.00305 -0.00898 -0.02033 54 2PZ 0.00222 0.01510 -0.01145 -0.01581 0.02122 55 3S -0.00946 -0.03353 -0.00791 0.01258 -0.03342 56 3PX -0.00043 -0.02049 -0.00947 0.04759 0.01975 57 3PY -0.00305 -0.00373 -0.01842 -0.01539 -0.00987 58 3PZ -0.00113 0.00068 -0.01604 -0.00614 0.01236 59 4XX 0.00016 -0.00005 -0.00014 0.00070 0.00100 60 4YY 0.00003 -0.00129 -0.00116 0.00115 0.00037 61 4ZZ -0.00024 0.00013 0.00044 -0.00181 -0.00204 62 4XY 0.00021 0.00130 -0.00014 0.00075 0.00124 63 4XZ -0.00008 0.00061 0.00065 0.00086 -0.00091 64 4YZ -0.00025 0.00032 0.00056 0.00039 -0.00058 65 5 C 1S 0.00053 0.00141 0.00308 0.00349 0.00043 66 2S -0.00052 -0.01740 -0.01087 -0.00837 -0.00127 67 2PX -0.00167 -0.02703 -0.02398 -0.02797 -0.01577 68 2PY 0.00236 -0.01457 -0.01857 -0.00439 0.02316 69 2PZ -0.00021 0.00746 0.00632 0.00394 -0.01309 70 3S -0.01136 0.02950 0.01234 -0.01274 -0.01102 71 3PX -0.00338 -0.02127 -0.01840 -0.01740 -0.01061 72 3PY -0.00096 0.02886 0.01591 -0.00061 0.00555 73 3PZ -0.00084 0.02992 0.00296 0.00051 0.00324 74 4XX 0.00090 -0.00188 -0.00404 -0.00021 0.00583 75 4YY -0.00049 0.00058 0.00269 0.00220 -0.00074 76 4ZZ -0.00064 -0.00285 0.00140 -0.00183 -0.00495 77 4XY -0.00019 0.00450 0.00390 0.00016 -0.00238 78 4XZ 0.00000 0.00192 0.00222 0.00331 0.00159 79 4YZ 0.00043 0.00078 -0.00167 -0.00006 0.00339 80 6 C 1S 0.00033 0.00344 0.00315 -0.00208 -0.01099 81 2S -0.00208 0.00001 -0.00654 0.00890 0.01569 82 2PX 0.00056 -0.00251 -0.00546 0.01003 0.01017 83 2PY -0.00385 0.01784 0.01685 -0.00142 -0.03082 84 2PZ 0.00230 -0.00534 -0.00323 -0.00183 0.00392 85 3S 0.01945 -0.03072 -0.03873 -0.03351 0.03468 86 3PX 0.00937 0.00433 -0.01359 0.01017 -0.00015 87 3PY 0.00166 0.04028 0.02023 -0.02256 -0.01592 88 3PZ 0.00546 0.01940 -0.00920 -0.01454 -0.00105 89 4XX -0.00048 0.00170 -0.00051 -0.00071 -0.00024 90 4YY -0.00047 0.00200 -0.00069 0.00049 0.00036 91 4ZZ 0.00001 0.00075 0.00096 0.00030 -0.00042 92 4XY -0.00028 0.00183 0.00082 -0.00004 -0.00104 93 4XZ 0.00022 0.00188 0.00011 -0.00058 0.00042 94 4YZ 0.00032 0.00019 -0.00035 0.00014 0.00104 95 7 C 1S 0.00227 -0.00134 -0.00429 0.00021 -0.00495 96 2S -0.00614 0.02920 0.00841 -0.00237 -0.00097 97 2PX -0.00816 0.01629 0.01508 -0.00739 -0.01174 98 2PY -0.00570 0.00943 -0.01443 -0.00791 0.00130 99 2PZ 0.00648 -0.02636 0.00861 0.00610 0.01366 100 3S 0.00367 -0.08793 0.01746 -0.01758 0.01483 101 3PX -0.00489 -0.04633 0.01089 -0.03396 -0.00665 102 3PY 0.01911 0.05550 -0.02409 -0.02837 0.01907 103 3PZ 0.01046 0.01240 -0.00135 -0.04053 0.00653 104 4XX 0.00018 0.00342 -0.00067 -0.00377 -0.00100 105 4YY -0.00019 0.00246 -0.00032 0.00096 0.00137 106 4ZZ -0.00026 -0.00046 0.00038 0.00235 -0.00079 107 4XY -0.00015 -0.00251 0.00052 0.00185 -0.00059 108 4XZ -0.00098 0.00121 0.00118 0.00014 -0.00098 109 4YZ -0.00008 0.00241 -0.00102 -0.00173 0.00036 110 8 C 1S 0.00101 -0.02642 0.00712 0.02187 -0.00530 111 2S -0.00324 0.02645 -0.00259 -0.04026 0.00264 112 2PX 0.00150 0.05580 -0.02391 -0.07684 -0.00033 113 2PY -0.00944 0.00260 0.00951 -0.02586 -0.02861 114 2PZ 0.00641 -0.09517 -0.00315 0.08945 0.01757 115 3S 0.01621 0.29277 -0.12043 -0.14730 0.01041 116 3PX 0.00936 0.04146 -0.03330 -0.10786 0.00745 117 3PY -0.01566 -0.09118 0.04355 0.07937 -0.01444 118 3PZ -0.01044 -0.16188 0.03094 0.03747 -0.00620 119 4XX -0.00027 -0.00187 0.00444 -0.00119 -0.00060 120 4YY 0.00097 -0.00232 -0.00041 0.00273 0.00245 121 4ZZ -0.00011 -0.00024 -0.00230 -0.00153 -0.00178 122 4XY -0.00017 -0.00218 -0.00084 0.00384 -0.00188 123 4XZ -0.00001 0.00046 0.00047 0.00214 0.00126 124 4YZ 0.00040 0.00397 0.00032 -0.00696 0.00160 125 9 C 1S -0.00196 0.00110 0.00212 -0.01065 -0.00291 126 2S 0.00046 -0.00779 -0.01381 0.02357 0.00059 127 2PX 0.00535 0.01576 -0.00916 0.01464 0.02317 128 2PY 0.00539 -0.02242 -0.00930 0.03777 0.01386 129 2PZ -0.00392 0.00281 0.00973 -0.02357 -0.02103 130 3S 0.00481 -0.04081 0.06052 0.09531 0.01689 131 3PX -0.00096 0.01432 -0.00802 0.02183 0.01048 132 3PY -0.00172 -0.05078 0.01014 0.06814 0.00566 133 3PZ -0.01027 0.00118 -0.02974 -0.02233 -0.02849 134 4XX -0.00084 -0.00120 0.00017 -0.00248 -0.00200 135 4YY -0.00023 -0.00339 -0.00108 0.00412 0.00074 136 4ZZ -0.00087 0.00039 0.00099 -0.00149 -0.00201 137 4XY 0.00014 0.00290 -0.00018 -0.00299 0.00052 138 4XZ -0.00006 -0.00029 -0.00050 0.00087 -0.00199 139 4YZ -0.00004 -0.00208 -0.00031 0.00227 -0.00058 140 10 H 1S 0.00196 0.00130 -0.00493 0.00202 0.00988 141 2S 0.00327 0.00275 -0.01550 0.00304 0.01852 142 11 H 1S -0.00023 0.01728 0.01418 0.01056 0.00158 143 2S 0.00201 0.04837 0.02147 0.01954 0.00746 144 12 H 1S -0.00023 -0.00414 -0.01025 -0.01317 -0.00071 145 2S 0.00867 0.02803 -0.01127 0.00069 0.00834 146 13 H 1S -0.00149 0.01177 0.00376 -0.01292 -0.01124 147 2S 0.00231 0.01795 0.01510 -0.02180 -0.00486 148 14 C 1S 0.00054 -0.00078 -0.00037 0.00177 0.00103 149 2S -0.00063 0.00172 0.00082 -0.00310 -0.00188 150 2PX -0.00042 0.01073 0.00471 -0.00166 -0.00471 151 2PY 0.00141 0.00808 0.00314 0.00348 0.00175 152 2PZ -0.00260 -0.00709 -0.00162 -0.00358 0.00334 153 3S -0.00057 0.01521 -0.00148 0.00066 -0.01740 154 3PX 0.00066 0.01756 0.00214 0.00060 -0.00696 155 3PY -0.00106 -0.01071 0.00017 0.00733 -0.00156 156 3PZ -0.00206 -0.00784 -0.00214 0.00343 -0.00192 157 4XX -0.00011 -0.00023 0.00001 0.00069 0.00007 158 4YY 0.00017 0.00015 -0.00009 0.00048 0.00049 159 4ZZ 0.00021 -0.00054 -0.00001 -0.00001 -0.00013 160 4XY -0.00018 0.00019 0.00054 -0.00010 -0.00137 161 4XZ -0.00004 -0.00032 -0.00002 -0.00004 -0.00031 162 4YZ -0.00005 0.00018 0.00028 0.00003 -0.00070 163 15 H 1S 0.00072 -0.00056 -0.00122 0.00242 0.00553 164 2S 0.00256 0.00538 -0.00385 0.00178 0.01168 165 16 H 1S -0.00007 -0.00095 0.00049 -0.00087 -0.00507 166 2S -0.00043 -0.00286 0.00122 0.00297 -0.00694 167 17 C 1S 0.00043 -0.00236 0.00273 0.00197 -0.00442 168 2S -0.00207 0.01360 -0.01073 -0.00607 0.00391 169 2PX -0.00803 0.00589 -0.00304 0.00448 -0.00042 170 2PY -0.00433 -0.00582 0.01101 0.00898 -0.01277 171 2PZ 0.00902 -0.00199 -0.00541 -0.01145 0.00791 172 3S -0.01188 -0.02923 0.00940 0.01160 -0.00302 173 3PX -0.00500 -0.00467 0.01264 0.02274 0.00334 174 3PY 0.00204 0.00887 0.00374 0.00743 0.00032 175 3PZ 0.00620 0.01563 -0.01107 -0.00436 0.00577 176 4XX -0.00085 0.00138 0.00003 0.00026 -0.00143 177 4YY -0.00026 -0.00015 -0.00077 -0.00003 -0.00052 178 4ZZ -0.00062 0.00144 -0.00074 -0.00014 -0.00131 179 4XY 0.00045 0.00013 -0.00052 -0.00039 0.00033 180 4XZ 0.00004 -0.00021 -0.00009 0.00002 -0.00003 181 4YZ -0.00022 0.00168 -0.00059 -0.00086 -0.00032 182 18 H 1S -0.00068 0.00470 -0.00383 -0.00255 -0.00106 183 2S -0.00078 -0.00116 -0.00230 -0.00813 -0.00453 184 19 H 1S -0.00011 -0.00254 0.00420 0.00255 -0.00226 185 2S -0.00064 -0.00533 0.00960 0.00950 -0.00110 26 27 28 29 30 26 3PX 0.39307 27 3PY -0.02220 0.19121 28 3PZ -0.01113 0.07326 0.30807 29 4XX 0.00210 0.00089 -0.00238 0.00045 30 4YY 0.00273 -0.02479 -0.01514 0.00011 0.00398 31 4ZZ 0.00155 0.00822 0.02299 0.00018 -0.00118 32 4XY -0.02950 0.00059 0.00127 -0.00019 -0.00010 33 4XZ 0.01715 0.00091 0.00103 0.00011 -0.00007 34 4YZ 0.00030 0.00148 -0.02085 0.00032 0.00000 35 3 O 1S -0.01380 -0.00505 -0.01571 0.00054 0.00117 36 2S 0.01676 0.00862 0.02676 -0.00155 -0.00287 37 2PX 0.03097 -0.00567 0.06169 -0.00496 -0.00447 38 2PY 0.06554 0.09575 0.04313 0.00531 0.00019 39 2PZ 0.05709 -0.02153 0.04615 -0.00413 -0.00298 40 3S 0.13363 0.02961 0.11397 -0.00265 -0.00817 41 3PX 0.03534 -0.00370 0.06013 -0.00358 -0.00428 42 3PY 0.06118 0.06999 0.04313 0.00373 -0.00060 43 3PZ 0.07120 -0.01570 0.04945 -0.00319 -0.00271 44 4XX -0.00951 0.00033 -0.00484 0.00012 0.00013 45 4YY -0.00587 -0.00144 -0.00431 0.00022 0.00081 46 4ZZ -0.00060 -0.00152 -0.00176 -0.00019 -0.00008 47 4XY -0.00009 -0.00195 0.00020 -0.00020 0.00016 48 4XZ -0.00069 0.00153 0.00247 -0.00016 -0.00026 49 4YZ 0.00568 0.00263 0.00326 0.00007 0.00002 50 4 C 1S 0.00327 -0.00234 0.00086 -0.00027 -0.00017 51 2S -0.00661 0.00580 -0.00274 0.00063 0.00050 52 2PX -0.02113 -0.00337 0.03929 -0.00193 -0.00228 53 2PY -0.00262 0.00418 -0.00932 0.00054 0.00076 54 2PZ 0.01478 -0.01243 -0.00951 -0.00083 0.00002 55 3S -0.03014 0.00072 0.00452 0.00051 0.00104 56 3PX -0.01667 -0.00474 0.03857 -0.00175 -0.00190 57 3PY -0.00424 -0.01113 -0.01243 0.00000 0.00166 58 3PZ 0.00323 -0.01332 -0.00301 -0.00069 0.00024 59 4XX 0.00015 -0.00016 0.00067 -0.00006 -0.00005 60 4YY -0.00108 -0.00073 0.00085 -0.00001 0.00003 61 4ZZ 0.00009 0.00052 -0.00166 0.00010 0.00012 62 4XY 0.00108 -0.00026 0.00077 -0.00004 -0.00006 63 4XZ 0.00046 0.00064 0.00058 0.00002 -0.00001 64 4YZ 0.00033 0.00044 0.00031 0.00002 -0.00001 65 5 C 1S 0.00204 0.00193 0.00271 0.00007 -0.00006 66 2S -0.01608 -0.00575 -0.00691 -0.00019 0.00052 67 2PX -0.02592 -0.01452 -0.02801 0.00100 0.00206 68 2PY -0.01487 -0.01612 -0.00307 -0.00088 -0.00066 69 2PZ 0.00425 0.00533 0.00173 0.00042 0.00023 70 3S 0.02231 0.00705 -0.00841 0.00067 -0.00066 71 3PX -0.01739 -0.01076 -0.01601 0.00039 0.00136 72 3PY 0.02087 0.00713 -0.00019 0.00037 -0.00139 73 3PZ 0.02488 -0.00067 0.00199 0.00014 -0.00032 74 4XX -0.00127 -0.00362 0.00022 -0.00031 -0.00010 75 4YY 0.00073 0.00191 0.00190 0.00007 -0.00009 76 4ZZ -0.00254 0.00164 -0.00204 0.00020 0.00016 77 4XY 0.00364 0.00253 -0.00023 0.00023 0.00005 78 4XZ 0.00202 0.00147 0.00329 -0.00008 -0.00014 79 4YZ 0.00110 -0.00151 0.00063 -0.00019 -0.00004 80 6 C 1S 0.00385 0.00396 -0.00276 0.00099 0.00085 81 2S -0.00145 -0.00688 0.00882 -0.00110 -0.00130 82 2PX -0.00279 -0.00314 0.00994 0.00002 -0.00083 83 2PY 0.01323 0.01463 -0.00555 0.00214 0.00082 84 2PZ -0.00422 -0.00323 -0.00209 -0.00036 0.00049 85 3S -0.02668 -0.02649 -0.02367 -0.00167 0.00178 86 3PX 0.00039 -0.00404 0.00613 0.00006 0.00116 87 3PY 0.02929 0.01385 -0.01845 0.00178 0.00091 88 3PZ 0.01308 -0.00565 -0.01243 -0.00002 0.00157 89 4XX 0.00106 -0.00037 -0.00043 0.00001 0.00001 90 4YY 0.00153 -0.00055 0.00063 -0.00004 -0.00006 91 4ZZ 0.00079 0.00050 0.00002 0.00003 0.00001 92 4XY 0.00135 0.00072 0.00002 0.00008 0.00000 93 4XZ 0.00130 0.00002 -0.00031 0.00000 -0.00003 94 4YZ 0.00021 -0.00032 0.00016 -0.00004 0.00000 95 7 C 1S -0.00029 -0.00192 -0.00069 0.00029 0.00073 96 2S 0.01932 0.00513 -0.00001 0.00038 -0.00098 97 2PX 0.00529 0.01525 0.00035 0.00116 -0.00142 98 2PY 0.00703 -0.01029 -0.00466 -0.00031 -0.00031 99 2PZ -0.01731 0.00255 0.00294 -0.00123 0.00013 100 3S -0.06804 0.01204 -0.01007 -0.00021 -0.00152 101 3PX -0.03995 0.00929 -0.02157 0.00085 -0.00033 102 3PY 0.03987 -0.01502 -0.02013 -0.00016 0.00210 103 3PZ 0.00972 -0.00387 -0.03204 -0.00005 0.00209 104 4XX 0.00327 -0.00072 -0.00304 0.00007 0.00026 105 4YY 0.00139 -0.00038 0.00106 -0.00007 -0.00017 106 4ZZ -0.00052 0.00046 0.00163 0.00000 -0.00002 107 4XY -0.00213 0.00062 0.00123 -0.00002 -0.00008 108 4XZ 0.00001 0.00098 0.00044 0.00005 -0.00011 109 4YZ 0.00234 -0.00109 -0.00138 -0.00002 0.00010 110 8 C 1S -0.02107 0.00851 0.01530 0.00010 -0.00090 111 2S 0.02330 -0.00796 -0.02754 0.00060 0.00135 112 2PX 0.05545 -0.02693 -0.06206 0.00035 0.00340 113 2PY 0.00067 0.00916 -0.02204 0.00092 0.00108 114 2PZ -0.08710 0.00625 0.06971 -0.00187 -0.00210 115 3S 0.23040 -0.09074 -0.10800 0.00089 0.01210 116 3PX 0.03791 -0.03049 -0.08104 0.00053 0.00442 117 3PY -0.07050 0.03295 0.05707 -0.00064 -0.00537 118 3PZ -0.13124 0.02552 0.02995 -0.00054 -0.00273 119 4XX -0.00184 0.00286 -0.00113 0.00003 -0.00024 120 4YY -0.00221 -0.00020 0.00246 -0.00010 -0.00016 121 4ZZ 0.00083 -0.00140 -0.00164 0.00006 0.00032 122 4XY -0.00174 -0.00012 0.00230 0.00002 0.00006 123 4XZ -0.00045 0.00054 0.00244 -0.00001 -0.00020 124 4YZ 0.00323 -0.00066 -0.00476 0.00000 0.00020 125 9 C 1S 0.00226 0.00099 -0.00845 0.00003 0.00014 126 2S -0.00754 -0.00685 0.01778 -0.00038 -0.00001 127 2PX 0.01401 -0.00771 0.01427 -0.00111 -0.00103 128 2PY -0.02073 -0.00512 0.03002 -0.00037 -0.00047 129 2PZ 0.00366 0.00789 -0.02067 0.00131 0.00093 130 3S -0.03399 0.04207 0.07220 -0.00071 -0.00711 131 3PX 0.01087 -0.00528 0.01901 -0.00079 -0.00096 132 3PY -0.04108 0.00978 0.05047 -0.00080 -0.00303 133 3PZ 0.00266 -0.01682 -0.02020 0.00081 0.00331 134 4XX -0.00077 0.00011 -0.00210 0.00008 0.00012 135 4YY -0.00276 -0.00053 0.00318 -0.00009 -0.00007 136 4ZZ 0.00061 0.00067 -0.00127 0.00009 0.00003 137 4XY 0.00256 -0.00064 -0.00220 0.00002 0.00006 138 4XZ -0.00046 0.00016 0.00031 0.00007 0.00009 139 4YZ -0.00196 0.00024 0.00155 -0.00004 -0.00001 140 10 H 1S 0.00145 -0.00459 0.00247 -0.00023 -0.00013 141 2S 0.00242 -0.01234 0.00444 -0.00073 0.00001 142 11 H 1S 0.01681 0.00988 0.01071 -0.00005 -0.00042 143 2S 0.04189 0.01257 0.01802 0.00008 -0.00100 144 12 H 1S -0.00510 -0.00751 -0.00907 -0.00011 0.00154 145 2S 0.01952 -0.00704 0.00106 -0.00021 0.00137 146 13 H 1S 0.01033 0.00333 -0.01112 0.00068 0.00044 147 2S 0.01504 0.00905 -0.01719 0.00074 -0.00008 148 14 C 1S -0.00038 -0.00012 0.00152 0.00004 0.00000 149 2S 0.00087 0.00038 -0.00281 -0.00002 0.00000 150 2PX 0.00909 0.00255 -0.00260 0.00019 -0.00006 151 2PY 0.00759 0.00175 0.00276 0.00008 -0.00017 152 2PZ -0.00801 -0.00155 -0.00145 -0.00071 -0.00024 153 3S 0.00896 0.00264 -0.00231 0.00061 0.00110 154 3PX 0.01410 0.00203 -0.00095 0.00039 0.00045 155 3PY -0.00673 0.00022 0.00480 -0.00005 -0.00026 156 3PZ -0.00833 -0.00006 0.00302 -0.00029 0.00001 157 4XX -0.00017 0.00005 0.00055 -0.00001 -0.00004 158 4YY 0.00014 -0.00004 0.00046 -0.00001 -0.00002 159 4ZZ -0.00038 0.00001 -0.00014 0.00000 0.00004 160 4XY 0.00010 0.00051 -0.00029 0.00009 0.00004 161 4XZ -0.00026 0.00000 -0.00012 0.00000 0.00002 162 4YZ 0.00016 0.00027 -0.00010 0.00005 0.00003 163 15 H 1S -0.00028 -0.00115 0.00293 -0.00029 -0.00025 164 2S 0.00462 -0.00356 0.00340 -0.00053 -0.00026 165 16 H 1S -0.00067 0.00100 -0.00168 0.00039 0.00030 166 2S -0.00177 0.00184 0.00086 0.00044 0.00032 167 17 C 1S -0.00206 0.00303 0.00122 0.00036 0.00018 168 2S 0.01098 -0.00872 -0.00448 -0.00044 0.00020 169 2PX -0.00019 -0.00041 0.00604 -0.00006 -0.00148 170 2PY -0.01088 0.01280 0.00919 0.00077 -0.00091 171 2PZ 0.00714 -0.00816 -0.01276 -0.00064 0.00177 172 3S -0.01989 0.00338 0.00891 -0.00029 -0.00179 173 3PX -0.00784 0.00988 0.01969 -0.00014 -0.00249 174 3PY 0.00200 0.00584 0.00722 0.00020 -0.00068 175 3PZ 0.01932 -0.01075 -0.00640 -0.00053 0.00166 176 4XX 0.00077 0.00027 0.00032 0.00005 0.00000 177 4YY 0.00012 -0.00061 -0.00027 -0.00002 0.00010 178 4ZZ 0.00100 -0.00033 -0.00012 0.00005 0.00007 179 4XY 0.00035 -0.00047 -0.00044 -0.00002 0.00007 180 4XZ -0.00014 -0.00008 -0.00003 -0.00002 0.00004 181 4YZ 0.00121 -0.00037 -0.00061 0.00003 0.00001 182 18 H 1S 0.00389 -0.00250 -0.00222 -0.00009 0.00019 183 2S -0.00056 -0.00139 -0.00673 0.00018 0.00054 184 19 H 1S -0.00338 0.00390 0.00251 0.00014 -0.00010 185 2S -0.00627 0.00787 0.00831 0.00007 -0.00067 31 32 33 34 35 31 4ZZ 0.00225 32 4XY -0.00006 0.00246 33 4XZ 0.00021 -0.00142 0.00085 34 4YZ -0.00156 -0.00011 -0.00004 0.00193 35 3 O 1S -0.00126 0.00070 -0.00065 0.00095 2.07882 36 2S 0.00166 -0.00071 0.00073 -0.00155 -0.18316 37 2PX -0.00062 -0.00049 -0.00072 -0.00250 -0.01774 38 2PY 0.00788 -0.00213 0.00437 -0.00062 0.01199 39 2PZ -0.00445 -0.00183 -0.00006 -0.00264 0.02722 40 3S 0.00885 -0.00816 0.00559 -0.00724 -0.27071 41 3PX 0.00105 -0.00139 0.00019 -0.00309 -0.01345 42 3PY 0.00674 -0.00285 0.00399 -0.00140 0.00431 43 3PZ -0.00205 -0.00331 0.00118 -0.00301 0.01206 44 4XX -0.00031 0.00040 -0.00025 0.00037 -0.01583 45 4YY -0.00015 0.00055 -0.00026 0.00020 -0.01428 46 4ZZ -0.00050 0.00013 -0.00018 0.00014 -0.01172 47 4XY -0.00019 -0.00004 -0.00003 -0.00007 -0.00530 48 4XZ 0.00008 0.00005 -0.00004 -0.00011 -0.00025 49 4YZ 0.00030 -0.00017 0.00019 -0.00024 -0.00197 50 4 C 1S -0.00036 -0.00016 0.00000 -0.00014 -0.00177 51 2S 0.00076 0.00034 0.00005 0.00027 0.00549 52 2PX -0.00085 0.00082 -0.00027 -0.00088 0.00962 53 2PY 0.00070 0.00023 -0.00011 0.00041 0.00230 54 2PZ -0.00143 -0.00064 -0.00012 0.00007 -0.00742 55 3S 0.00144 0.00152 -0.00062 -0.00045 -0.01547 56 3PX -0.00037 0.00066 -0.00033 -0.00131 0.00572 57 3PY -0.00058 0.00017 -0.00029 0.00035 -0.00986 58 3PZ -0.00113 0.00013 -0.00061 -0.00025 0.00025 59 4XX -0.00002 0.00001 -0.00001 -0.00002 -0.00007 60 4YY -0.00001 0.00006 -0.00001 -0.00007 -0.00055 61 4ZZ 0.00002 0.00000 -0.00001 0.00006 -0.00040 62 4XY -0.00006 -0.00006 0.00004 0.00000 0.00009 63 4XZ 0.00010 -0.00002 0.00003 -0.00001 0.00032 64 4YZ 0.00004 0.00000 0.00000 -0.00002 0.00045 65 5 C 1S 0.00046 0.00001 0.00003 -0.00016 0.00171 66 2S -0.00108 0.00063 -0.00047 0.00039 -0.00374 67 2PX -0.00188 0.00062 -0.00045 0.00097 -0.02840 68 2PY -0.00141 0.00001 -0.00015 -0.00012 -0.01385 69 2PZ 0.00162 -0.00014 0.00019 -0.00017 0.00856 70 3S -0.00055 -0.00174 0.00095 0.00115 0.05195 71 3PX -0.00108 0.00072 -0.00058 0.00055 0.00433 72 3PY 0.00034 -0.00172 0.00124 0.00033 0.01217 73 3PZ 0.00020 -0.00113 0.00049 0.00002 0.00749 74 4XX -0.00034 0.00008 -0.00015 -0.00010 -0.00559 75 4YY 0.00014 0.00002 0.00005 -0.00003 0.00272 76 4ZZ 0.00020 0.00013 -0.00003 0.00011 0.00029 77 4XY 0.00019 -0.00014 0.00016 0.00001 -0.00259 78 4XZ 0.00001 -0.00003 0.00003 -0.00005 0.00605 79 4YZ -0.00019 -0.00001 -0.00006 -0.00003 0.00158 80 6 C 1S 0.00091 -0.00018 0.00009 0.00013 -0.00142 81 2S -0.00080 -0.00015 0.00004 -0.00030 0.00445 82 2PX -0.00001 -0.00018 0.00012 -0.00007 0.00912 83 2PY 0.00124 -0.00059 0.00093 0.00052 0.00169 84 2PZ 0.00012 0.00026 -0.00010 0.00008 -0.00653 85 3S -0.00318 0.00115 -0.00086 0.00102 -0.01223 86 3PX 0.00020 -0.00048 0.00040 -0.00064 -0.00652 87 3PY 0.00019 -0.00196 0.00172 0.00155 0.01361 88 3PZ -0.00041 -0.00114 0.00071 0.00041 -0.00462 89 4XX -0.00011 -0.00013 0.00004 0.00005 -0.00104 90 4YY -0.00002 -0.00010 0.00002 -0.00001 -0.00022 91 4ZZ 0.00012 -0.00001 0.00006 -0.00003 0.00002 92 4XY 0.00001 -0.00010 0.00004 0.00004 0.00033 93 4XZ -0.00003 -0.00012 0.00006 0.00003 0.00018 94 4YZ -0.00006 -0.00001 0.00002 0.00001 0.00019 95 7 C 1S 0.00053 0.00023 -0.00019 -0.00038 -0.00065 96 2S -0.00064 -0.00219 0.00109 0.00080 0.00241 97 2PX -0.00133 -0.00246 0.00013 0.00142 0.00313 98 2PY -0.00124 -0.00038 -0.00050 0.00021 -0.00301 99 2PZ 0.00088 0.00143 -0.00007 -0.00075 -0.00032 100 3S -0.00177 0.00387 -0.00249 0.00148 0.00163 101 3PX -0.00209 0.00150 -0.00135 0.00246 0.00483 102 3PY -0.00225 -0.00311 0.00135 0.00083 0.00020 103 3PZ -0.00084 -0.00070 0.00101 0.00142 0.00146 104 4XX -0.00001 -0.00010 0.00005 0.00010 -0.00026 105 4YY -0.00007 -0.00018 0.00008 -0.00001 -0.00019 106 4ZZ 0.00011 0.00002 0.00004 -0.00008 0.00037 107 4XY 0.00007 0.00011 -0.00007 -0.00005 -0.00009 108 4XZ -0.00008 -0.00019 0.00009 0.00012 0.00002 109 4YZ -0.00004 -0.00006 0.00006 0.00005 0.00020 110 8 C 1S 0.00113 0.00110 -0.00063 -0.00081 0.00125 111 2S -0.00118 -0.00122 0.00038 0.00185 -0.00019 112 2PX -0.00081 -0.00091 0.00034 0.00180 -0.00502 113 2PY 0.00007 -0.00073 -0.00021 0.00176 0.00001 114 2PZ 0.00060 0.00368 -0.00103 -0.00198 0.00004 115 3S -0.00645 -0.01423 0.00703 0.00414 -0.02003 116 3PX -0.00338 -0.00126 0.00035 0.00386 -0.01059 117 3PY 0.00413 0.00439 -0.00270 -0.00268 -0.00548 118 3PZ 0.00035 0.00739 -0.00346 0.00006 0.00918 119 4XX 0.00011 -0.00001 0.00002 0.00006 0.00021 120 4YY -0.00008 0.00011 -0.00003 -0.00001 -0.00005 121 4ZZ 0.00005 0.00016 -0.00013 -0.00008 -0.00014 122 4XY 0.00027 0.00015 -0.00005 -0.00021 -0.00065 123 4XZ -0.00016 -0.00013 0.00006 0.00015 0.00008 124 4YZ -0.00030 -0.00019 0.00011 0.00035 0.00015 125 9 C 1S -0.00027 -0.00017 -0.00006 0.00038 -0.00010 126 2S 0.00021 0.00060 -0.00011 -0.00100 0.00083 127 2PX -0.00092 -0.00081 0.00067 0.00016 0.00432 128 2PY 0.00056 0.00111 -0.00011 -0.00176 -0.00366 129 2PZ 0.00069 -0.00013 -0.00027 0.00042 -0.00357 130 3S 0.00433 0.00214 -0.00066 -0.00319 0.00091 131 3PX -0.00041 -0.00086 0.00061 -0.00017 0.00138 132 3PY 0.00235 0.00255 -0.00134 -0.00292 -0.00453 133 3PZ -0.00046 0.00017 -0.00042 0.00009 -0.00307 134 4XX 0.00001 0.00007 -0.00006 0.00007 -0.00016 135 4YY 0.00004 0.00015 -0.00007 -0.00014 -0.00011 136 4ZZ 0.00005 0.00002 -0.00003 0.00006 0.00022 137 4XY -0.00005 -0.00009 0.00003 0.00009 -0.00033 138 4XZ 0.00012 0.00001 0.00000 -0.00005 -0.00014 139 4YZ 0.00003 0.00007 -0.00002 -0.00004 0.00047 140 10 H 1S -0.00043 -0.00014 0.00009 -0.00023 -0.00239 141 2S -0.00104 -0.00028 0.00004 -0.00042 -0.00526 142 11 H 1S 0.00029 -0.00035 0.00030 -0.00015 0.01378 143 2S 0.00095 -0.00167 0.00118 -0.00051 0.01258 144 12 H 1S -0.00093 0.00009 -0.00003 0.00131 -0.00066 145 2S -0.00062 -0.00142 0.00095 0.00046 0.00291 146 13 H 1S 0.00032 -0.00047 0.00012 0.00036 -0.00021 147 2S 0.00029 -0.00087 0.00037 0.00086 0.00007 148 14 C 1S 0.00014 0.00004 -0.00001 -0.00004 0.00066 149 2S -0.00022 -0.00010 0.00003 0.00007 -0.00134 150 2PX 0.00022 -0.00022 0.00037 -0.00017 0.00181 151 2PY 0.00049 -0.00018 0.00029 -0.00021 0.00481 152 2PZ -0.00119 0.00002 -0.00042 0.00025 -0.00502 153 3S 0.00038 -0.00097 0.00063 -0.00020 -0.00557 154 3PX 0.00056 -0.00067 0.00063 -0.00023 0.00171 155 3PY 0.00067 0.00077 -0.00033 -0.00048 -0.00184 156 3PZ -0.00055 0.00009 -0.00034 -0.00003 -0.00504 157 4XX 0.00001 0.00001 0.00000 -0.00003 0.00062 158 4YY 0.00001 -0.00001 0.00000 -0.00002 0.00013 159 4ZZ 0.00003 0.00004 -0.00001 -0.00001 -0.00028 160 4XY 0.00006 0.00000 0.00002 0.00002 -0.00016 161 4XZ 0.00000 0.00003 -0.00001 -0.00001 -0.00018 162 4YZ 0.00004 0.00000 0.00002 0.00001 0.00006 163 15 H 1S -0.00010 -0.00003 -0.00007 -0.00009 0.00149 164 2S -0.00037 -0.00033 0.00007 -0.00009 0.00357 165 16 H 1S 0.00030 0.00006 0.00005 0.00008 -0.00119 166 2S 0.00056 0.00027 -0.00001 -0.00009 -0.00163 167 17 C 1S 0.00040 0.00003 0.00002 0.00001 0.00054 168 2S -0.00070 -0.00054 0.00018 0.00004 -0.00097 169 2PX -0.00125 -0.00095 -0.00021 0.00037 -0.00119 170 2PY -0.00017 -0.00063 -0.00018 0.00037 0.00138 171 2PZ 0.00101 0.00126 0.00024 -0.00039 0.00087 172 3S 0.00073 0.00194 -0.00107 -0.00040 -0.00149 173 3PX 0.00001 -0.00035 -0.00029 -0.00036 -0.00050 174 3PY -0.00042 -0.00115 0.00023 0.00004 0.00051 175 3PZ 0.00078 0.00019 0.00053 -0.00066 0.00104 176 4XX 0.00000 -0.00012 0.00003 0.00002 -0.00001 177 4YY 0.00004 0.00005 0.00001 -0.00003 0.00000 178 4ZZ 0.00000 -0.00008 0.00004 0.00001 0.00010 179 4XY 0.00002 0.00004 0.00001 -0.00002 -0.00001 180 4XZ 0.00001 0.00001 0.00001 -0.00001 0.00005 181 4YZ -0.00006 -0.00008 0.00002 0.00005 -0.00009 182 18 H 1S -0.00020 -0.00014 0.00006 0.00009 0.00005 183 2S -0.00019 0.00020 -0.00004 0.00040 -0.00013 184 19 H 1S 0.00011 -0.00010 0.00001 -0.00001 0.00068 185 2S 0.00028 -0.00015 0.00000 -0.00014 0.00138 36 37 38 39 40 36 2S 0.51002 37 2PX 0.02825 0.61256 38 2PY -0.03556 -0.11485 0.68967 39 2PZ -0.06692 0.03727 -0.06369 0.70204 40 3S 0.63919 0.13131 -0.00906 -0.09988 0.90960 41 3PX 0.02293 0.38843 -0.11061 0.03658 0.09316 42 3PY -0.01549 -0.11485 0.47439 -0.04569 0.00874 43 3PZ -0.03370 0.04499 -0.04262 0.50493 -0.03175 44 4XX -0.00125 -0.01378 -0.00537 -0.01056 -0.00943 45 4YY -0.00473 -0.00212 0.01895 -0.01217 -0.00849 46 4ZZ -0.01101 0.00382 -0.00939 0.03401 -0.01682 47 4XY 0.01135 0.01214 -0.00863 0.00221 0.01384 48 4XZ 0.00067 0.02370 -0.00319 -0.00626 0.00422 49 4YZ 0.00360 -0.00112 0.02469 0.01451 0.00650 50 4 C 1S 0.00267 -0.00142 -0.01154 0.01937 0.01060 51 2S -0.01096 -0.00896 0.03858 -0.04757 -0.02187 52 2PX -0.02105 -0.00251 0.01931 0.00556 -0.06794 53 2PY -0.00436 0.00750 0.01173 -0.03072 -0.01667 54 2PZ 0.02036 -0.00114 -0.04933 0.07022 0.03178 55 3S 0.03285 0.01641 0.01692 -0.09764 0.04990 56 3PX -0.01357 0.02441 -0.00006 0.02758 -0.03694 57 3PY 0.02031 0.02062 -0.02699 -0.01496 0.03157 58 3PZ 0.00087 -0.00001 -0.04964 0.08782 0.00547 59 4XX 0.00009 0.00224 0.00076 -0.00141 0.00022 60 4YY 0.00150 -0.00372 0.00109 -0.00049 0.00230 61 4ZZ 0.00078 -0.00503 -0.00021 0.00193 -0.00112 62 4XY -0.00033 -0.00040 0.00140 0.00199 -0.00120 63 4XZ -0.00076 0.00341 0.00444 -0.00828 -0.00067 64 4YZ -0.00055 0.00174 0.00067 -0.00050 -0.00056 65 5 C 1S -0.00566 0.05286 0.01264 -0.02859 0.04339 66 2S 0.00595 -0.10696 -0.03441 0.04906 -0.05435 67 2PX 0.06837 -0.26316 -0.06998 0.12836 0.02469 68 2PY 0.03096 -0.09011 -0.02343 0.05082 0.02931 69 2PZ -0.02431 0.12236 0.03730 -0.05948 0.01985 70 3S -0.12355 -0.08660 0.03030 0.07909 -0.21220 71 3PX -0.01034 -0.06930 -0.05254 0.03478 -0.04096 72 3PY -0.02798 -0.05603 0.03968 0.02152 -0.04141 73 3PZ -0.01682 0.03036 0.01939 0.05063 0.00029 74 4XX 0.01374 -0.00522 -0.01982 0.02127 0.01612 75 4YY -0.00577 0.00565 0.01266 -0.00255 -0.00702 76 4ZZ 0.00039 -0.00069 0.00444 -0.02082 0.00088 77 4XY 0.00580 -0.01889 0.01538 0.00930 0.00522 78 4XZ -0.01444 0.01783 0.01051 0.00729 -0.01747 79 4YZ -0.00381 0.01210 -0.00849 0.00759 -0.00459 80 6 C 1S 0.00259 -0.01663 0.01195 0.00210 0.00585 81 2S -0.00974 0.04366 -0.03374 0.00846 -0.01195 82 2PX -0.02018 0.05731 -0.03231 -0.00499 -0.06462 83 2PY 0.00038 -0.04497 0.03936 0.00220 -0.02642 84 2PZ 0.01338 -0.01171 0.00286 -0.00221 0.04670 85 3S 0.02677 0.06087 -0.07987 -0.05277 0.03572 86 3PX 0.01480 0.02516 0.00092 -0.02923 0.00825 87 3PY -0.02814 -0.06364 0.09050 -0.00647 -0.05495 88 3PZ 0.00928 -0.02986 0.02026 -0.01229 0.03364 89 4XX 0.00189 -0.00814 0.00110 0.00501 0.00249 90 4YY 0.00012 0.00645 -0.00341 -0.00013 0.00075 91 4ZZ 0.00033 0.00082 -0.00154 -0.00010 -0.00115 92 4XY -0.00061 0.00067 0.00291 -0.00056 0.00118 93 4XZ -0.00024 0.00520 -0.00372 -0.00055 -0.00021 94 4YZ -0.00033 -0.00229 0.00049 0.00207 -0.00127 95 7 C 1S 0.00207 -0.00239 0.00378 0.00574 0.00127 96 2S -0.00553 0.00679 -0.00333 -0.01196 -0.01108 97 2PX -0.00631 0.00880 -0.01321 -0.01930 -0.01717 98 2PY 0.00209 -0.00309 0.00330 0.01184 0.02850 99 2PZ 0.00194 -0.01855 0.00840 -0.00522 -0.00605 100 3S 0.00340 0.01040 -0.05950 -0.03896 -0.03122 101 3PX -0.00773 -0.02135 0.00934 -0.05938 -0.02925 102 3PY -0.00312 -0.00479 -0.00114 0.02321 0.00749 103 3PZ -0.00243 -0.03397 0.01768 -0.04268 -0.01265 104 4XX 0.00039 -0.00157 0.00150 -0.00254 0.00139 105 4YY -0.00014 0.00180 -0.00237 0.00122 0.00224 106 4ZZ -0.00096 0.00079 0.00182 0.00153 -0.00278 107 4XY 0.00012 -0.00074 0.00077 0.00082 0.00108 108 4XZ -0.00007 -0.00038 -0.00040 -0.00046 0.00005 109 4YZ -0.00041 0.00195 0.00000 0.00079 -0.00138 110 8 C 1S -0.00060 -0.00400 0.01011 0.00794 -0.01905 111 2S 0.00016 0.00411 -0.01899 -0.03045 0.01106 112 2PX 0.00806 0.01476 -0.02864 -0.02449 0.03773 113 2PY -0.00031 0.00257 0.01267 0.01691 0.00018 114 2PZ -0.00104 -0.00876 0.05234 0.06434 0.00087 115 3S 0.04042 0.04456 -0.05284 0.02509 0.11005 116 3PX 0.02384 0.01648 -0.04977 -0.08650 0.04512 117 3PY 0.01261 0.04436 -0.02930 -0.00758 0.02047 118 3PZ -0.01833 -0.03283 0.03605 -0.02083 -0.05826 119 4XX -0.00016 -0.00162 -0.00370 -0.00614 -0.00216 120 4YY -0.00017 0.00032 0.00256 -0.00097 0.00031 121 4ZZ 0.00020 0.00095 0.00170 0.00352 0.00121 122 4XY 0.00146 -0.00079 -0.00010 0.00073 0.00327 123 4XZ -0.00043 0.00132 0.00348 0.00187 -0.00027 124 4YZ -0.00048 0.00053 0.00250 0.00513 -0.00125 125 9 C 1S 0.00008 -0.00218 -0.00197 0.00526 -0.00036 126 2S -0.00101 -0.00068 0.00843 -0.01629 -0.00484 127 2PX -0.01350 0.02817 0.03034 -0.05887 -0.02203 128 2PY 0.00656 -0.00896 -0.00532 0.00446 0.02874 129 2PZ 0.00702 -0.01303 -0.01910 0.04106 0.02478 130 3S 0.00116 0.01916 0.02081 -0.02855 0.00480 131 3PX -0.00601 0.02153 0.03370 -0.03895 -0.00832 132 3PY 0.00984 0.01477 -0.02460 0.02597 0.02713 133 3PZ 0.00589 -0.01771 -0.01335 0.02658 0.01232 134 4XX 0.00028 -0.00088 -0.00107 -0.00063 0.00069 135 4YY 0.00013 0.00008 -0.00011 0.00106 0.00066 136 4ZZ -0.00061 -0.00023 0.00227 -0.00107 -0.00165 137 4XY 0.00066 0.00090 -0.00167 0.00149 0.00238 138 4XZ 0.00027 -0.00045 0.00097 -0.00283 0.00109 139 4YZ -0.00107 -0.00046 0.00299 0.00065 -0.00260 140 10 H 1S 0.00548 -0.01096 -0.00661 0.01576 0.01527 141 2S 0.01105 -0.00128 -0.03094 0.03661 0.02440 142 11 H 1S -0.03094 0.02225 0.02853 0.02342 -0.06029 143 2S -0.02939 0.04186 0.05736 0.04893 -0.03688 144 12 H 1S 0.00004 0.00574 0.02237 0.03309 0.01093 145 2S -0.00892 0.00044 0.04351 0.07004 -0.00078 146 13 H 1S -0.00026 -0.00022 -0.00005 -0.00224 0.00381 147 2S -0.00078 0.00438 -0.00345 -0.00989 0.00300 148 14 C 1S -0.00163 0.00675 -0.00144 -0.00116 -0.00390 149 2S 0.00339 -0.01362 0.00105 0.00422 0.00722 150 2PX -0.00243 0.01714 -0.00823 -0.00141 -0.01200 151 2PY -0.00852 0.03498 -0.00822 -0.00824 -0.04088 152 2PZ 0.01004 -0.05990 0.02576 0.01393 0.04449 153 3S 0.01351 -0.04022 0.03059 -0.01214 0.02246 154 3PX -0.00238 0.01498 0.00409 -0.00583 -0.01225 155 3PY 0.00501 0.03745 -0.03058 -0.01333 -0.01075 156 3PZ 0.00980 -0.04801 0.02676 0.00935 0.03553 157 4XX -0.00131 0.00234 -0.00064 -0.00041 -0.00317 158 4YY -0.00045 0.00191 -0.00051 0.00024 -0.00061 159 4ZZ 0.00061 -0.00202 0.00113 0.00006 0.00203 160 4XY 0.00039 -0.00206 0.00089 0.00015 0.00019 161 4XZ 0.00042 -0.00134 0.00109 -0.00015 0.00182 162 4YZ -0.00003 -0.00083 0.00051 0.00014 -0.00080 163 15 H 1S -0.00293 0.01249 -0.00463 -0.00133 -0.01210 164 2S -0.00790 0.02451 -0.00629 0.00348 -0.01640 165 16 H 1S 0.00213 -0.00731 0.00226 0.00044 0.00593 166 2S 0.00308 -0.00480 0.00470 0.00132 0.00684 167 17 C 1S -0.00018 -0.00006 0.00125 -0.00070 -0.00591 168 2S 0.00059 0.00130 -0.00381 0.00293 0.01042 169 2PX 0.00033 -0.00469 -0.00405 0.00952 0.01698 170 2PY -0.00146 -0.00443 -0.00251 0.00092 -0.00710 171 2PZ 0.00043 0.00719 0.00172 -0.01690 -0.01788 172 3S 0.00195 0.00114 0.00741 -0.01857 0.01097 173 3PX -0.00072 0.00154 -0.00038 0.02099 0.01110 174 3PY -0.00106 -0.00276 -0.00890 0.01379 0.00174 175 3PZ -0.00116 0.01490 -0.00041 0.00734 -0.01207 176 4XX -0.00004 0.00039 -0.00012 -0.00013 0.00018 177 4YY 0.00009 -0.00100 0.00097 -0.00024 -0.00005 178 4ZZ -0.00020 0.00037 0.00004 0.00013 -0.00041 179 4XY 0.00009 -0.00018 0.00005 0.00018 0.00003 180 4XZ -0.00005 -0.00016 0.00019 0.00025 -0.00052 181 4YZ 0.00010 0.00004 0.00011 -0.00023 0.00086 182 18 H 1S 0.00025 -0.00033 -0.00096 -0.00143 -0.00028 183 2S 0.00120 -0.00555 0.00501 -0.00912 -0.00168 184 19 H 1S -0.00112 0.00085 -0.00029 -0.00021 -0.00435 185 2S -0.00262 0.00408 0.00063 0.00633 -0.00935 41 42 43 44 45 41 3PX 0.25492 42 3PY -0.09557 0.33222 43 3PZ 0.03961 -0.02907 0.36968 44 4XX -0.00868 -0.00343 -0.00898 0.00143 45 4YY -0.00332 0.01235 -0.00948 0.00032 0.00130 46 4ZZ 0.00297 -0.00708 0.02340 -0.00032 -0.00045 47 4XY 0.00774 -0.00613 0.00206 -0.00007 -0.00014 48 4XZ 0.01460 -0.00370 -0.00369 -0.00033 0.00015 49 4YZ -0.00176 0.01669 0.01108 -0.00056 0.00039 50 4 C 1S -0.00183 -0.00978 0.01961 -0.00036 -0.00145 51 2S -0.00610 0.02985 -0.04296 -0.00032 0.00218 52 2PX 0.00846 0.01592 -0.00284 0.00099 0.00043 53 2PY 0.01175 0.00921 -0.02954 -0.00077 0.00109 54 2PZ 0.00499 -0.04272 0.06535 0.00234 -0.00178 55 3S 0.00557 0.01333 -0.07498 -0.00090 0.00182 56 3PX 0.02222 0.00065 0.01648 0.00013 -0.00081 57 3PY 0.01328 -0.01983 -0.01053 -0.00060 -0.00053 58 3PZ 0.00357 -0.03841 0.06931 0.00073 -0.00255 59 4XX 0.00147 0.00027 -0.00076 0.00000 0.00002 60 4YY -0.00262 0.00055 -0.00006 0.00016 -0.00003 61 4ZZ -0.00307 0.00063 0.00098 0.00015 0.00009 62 4XY -0.00005 0.00112 0.00143 -0.00009 0.00003 63 4XZ 0.00222 0.00292 -0.00608 0.00006 0.00024 64 4YZ 0.00112 0.00037 0.00021 0.00002 0.00020 65 5 C 1S 0.02157 0.00379 -0.01192 -0.00631 -0.00045 66 2S -0.05227 -0.01304 0.02454 0.00903 -0.00197 67 2PX -0.16491 -0.02420 0.07665 0.00022 -0.00404 68 2PY -0.04616 -0.02624 0.03129 0.00339 -0.00730 69 2PZ 0.06838 0.01883 -0.05481 -0.00911 -0.00075 70 3S -0.03719 0.02621 0.04291 0.00802 -0.00069 71 3PX -0.04148 -0.03001 0.01632 0.00017 -0.00105 72 3PY -0.02883 0.02454 0.01116 0.00116 -0.00197 73 3PZ 0.01786 0.01171 0.03299 -0.00454 -0.00163 74 4XX -0.00242 -0.01327 0.01578 -0.00023 -0.00106 75 4YY 0.00334 0.00795 -0.00160 0.00006 0.00050 76 4ZZ -0.00143 0.00346 -0.01537 0.00011 0.00061 77 4XY -0.01265 0.01225 0.00687 -0.00001 0.00035 78 4XZ 0.01121 0.00626 0.00506 -0.00049 0.00046 79 4YZ 0.00840 -0.00652 0.00619 0.00008 -0.00011 80 6 C 1S -0.01663 0.01140 0.00214 -0.00082 0.00019 81 2S 0.03772 -0.02997 0.00641 0.00140 -0.00163 82 2PX 0.05708 -0.02837 -0.01409 0.00529 -0.00150 83 2PY -0.02881 0.04215 -0.00346 -0.00281 0.00545 84 2PZ -0.01960 0.00525 -0.00133 -0.00193 -0.00012 85 3S 0.04250 -0.06293 -0.03879 0.00166 -0.00180 86 3PX 0.02091 -0.00018 -0.02221 0.00103 0.00092 87 3PY -0.04007 0.06979 -0.00960 0.00013 0.00361 88 3PZ -0.02782 0.01624 -0.00624 -0.00128 0.00027 89 4XX -0.00566 0.00108 0.00360 -0.00003 -0.00021 90 4YY 0.00463 -0.00249 0.00014 0.00011 -0.00012 91 4ZZ 0.00102 -0.00056 -0.00034 -0.00009 0.00012 92 4XY -0.00066 0.00221 0.00003 -0.00033 0.00022 93 4XZ 0.00362 -0.00266 -0.00061 -0.00020 -0.00003 94 4YZ -0.00135 0.00058 0.00165 0.00014 0.00006 95 7 C 1S -0.00194 -0.00019 0.00498 0.00037 -0.00001 96 2S 0.00560 0.00096 -0.01003 0.00008 0.00071 97 2PX 0.00305 -0.01364 -0.01415 0.00236 -0.00042 98 2PY -0.00673 -0.00105 0.01562 -0.00099 -0.00279 99 2PZ -0.01079 0.00527 -0.00492 0.00101 -0.00056 100 3S 0.00299 -0.04034 -0.03571 0.00312 0.00183 101 3PX -0.01918 0.00254 -0.04838 0.00395 0.00093 102 3PY -0.00521 -0.00039 0.02036 -0.00194 -0.00097 103 3PZ -0.02213 0.01323 -0.03372 0.00103 0.00086 104 4XX -0.00117 0.00108 -0.00160 -0.00022 0.00013 105 4YY 0.00100 -0.00193 0.00124 0.00000 -0.00032 106 4ZZ 0.00117 0.00149 0.00090 0.00008 0.00010 107 4XY -0.00091 0.00074 0.00071 -0.00002 0.00003 108 4XZ -0.00049 0.00009 -0.00015 0.00014 0.00001 109 4YZ 0.00204 -0.00006 0.00026 -0.00009 0.00003 110 8 C 1S -0.00274 0.00539 0.00192 0.00131 0.00071 111 2S 0.00466 -0.01248 -0.01890 -0.00055 0.00020 112 2PX 0.01311 -0.02136 -0.01447 -0.00427 -0.00099 113 2PY 0.00275 0.01095 0.01269 0.00037 0.00041 114 2PZ -0.00774 0.04450 0.04933 0.00349 -0.00044 115 3S 0.03791 -0.03498 0.03721 -0.00809 -0.00259 116 3PX 0.01054 -0.03682 -0.06039 -0.00104 -0.00015 117 3PY 0.03039 -0.02042 -0.00501 0.00112 -0.00090 118 3PZ -0.02734 0.02638 -0.02289 0.00615 0.00227 119 4XX -0.00109 -0.00251 -0.00497 0.00031 0.00002 120 4YY 0.00026 0.00193 -0.00048 0.00007 -0.00002 121 4ZZ 0.00031 0.00087 0.00267 -0.00029 0.00013 122 4XY -0.00022 0.00031 0.00086 0.00001 0.00002 123 4XZ 0.00094 0.00284 0.00153 0.00008 0.00001 124 4YZ 0.00058 0.00171 0.00352 -0.00013 0.00000 125 9 C 1S -0.00378 -0.00195 0.00330 0.00007 -0.00011 126 2S 0.00274 0.00644 -0.01124 0.00069 0.00091 127 2PX 0.01921 0.02211 -0.04651 -0.00149 0.00025 128 2PY -0.01203 -0.00105 0.00682 -0.00006 -0.00113 129 2PZ -0.01692 -0.01256 0.03249 -0.00035 -0.00096 130 3S 0.01519 0.01703 -0.01828 0.00114 0.00074 131 3PX 0.01511 0.02364 -0.02998 -0.00103 0.00022 132 3PY 0.00787 -0.01625 0.02073 -0.00015 -0.00189 133 3PZ -0.01489 -0.01002 0.02047 -0.00025 -0.00011 134 4XX -0.00093 -0.00095 -0.00040 0.00006 0.00002 135 4YY 0.00010 -0.00001 0.00123 0.00015 -0.00004 136 4ZZ -0.00028 0.00162 -0.00155 -0.00020 0.00008 137 4XY 0.00070 -0.00131 0.00144 -0.00015 -0.00009 138 4XZ -0.00039 0.00082 -0.00207 0.00002 0.00008 139 4YZ -0.00005 0.00230 0.00012 0.00008 0.00008 140 10 H 1S -0.01070 -0.00584 0.01488 0.00062 -0.00073 141 2S -0.00289 -0.02390 0.03163 0.00051 -0.00209 142 11 H 1S 0.01837 0.02447 0.02351 0.00399 0.00409 143 2S 0.02901 0.04230 0.04361 -0.00011 0.00360 144 12 H 1S 0.00541 0.01957 0.02711 -0.00017 0.00004 145 2S 0.00303 0.03467 0.05326 -0.00147 -0.00004 146 13 H 1S -0.00290 0.00056 -0.00241 -0.00071 0.00010 147 2S 0.00030 -0.00165 -0.00948 -0.00116 -0.00013 148 14 C 1S 0.00547 -0.00113 -0.00120 0.00063 -0.00006 149 2S -0.01056 0.00097 0.00388 -0.00126 0.00014 150 2PX 0.01723 -0.00531 0.00106 -0.00146 0.00118 151 2PY 0.03570 -0.00521 -0.01134 0.00186 0.00095 152 2PZ -0.05393 0.01862 0.01755 -0.00111 -0.00073 153 3S -0.03124 0.02416 -0.00727 -0.00182 0.00141 154 3PX 0.01506 0.00378 -0.00390 -0.00067 0.00126 155 3PY 0.03241 -0.02118 -0.01263 0.00082 0.00033 156 3PZ -0.04343 0.01969 0.01204 -0.00066 -0.00022 157 4XX 0.00231 -0.00068 -0.00046 0.00015 0.00002 158 4YY 0.00136 -0.00048 0.00005 0.00007 -0.00006 159 4ZZ -0.00194 0.00100 0.00014 -0.00011 0.00003 160 4XY -0.00155 0.00113 -0.00002 -0.00015 0.00015 161 4XZ -0.00139 0.00082 0.00014 -0.00014 0.00005 162 4YZ -0.00044 0.00062 -0.00010 -0.00005 0.00010 163 15 H 1S 0.01183 -0.00464 -0.00323 0.00131 -0.00039 164 2S 0.02075 -0.00759 0.00139 0.00158 -0.00085 165 16 H 1S -0.00709 0.00254 -0.00056 -0.00088 0.00020 166 2S -0.00543 0.00543 0.00062 -0.00083 0.00069 167 17 C 1S 0.00029 0.00084 -0.00165 0.00041 0.00055 168 2S 0.00079 -0.00316 0.00432 -0.00079 -0.00095 169 2PX -0.00980 -0.00349 0.01057 0.00011 -0.00150 170 2PY -0.00682 -0.00211 -0.00017 0.00137 0.00075 171 2PZ 0.01267 0.00280 -0.01685 -0.00080 0.00179 172 3S 0.00122 0.00181 -0.01303 0.00073 -0.00110 173 3PX -0.00279 -0.00126 0.01792 0.00039 -0.00148 174 3PY -0.00536 -0.00547 0.01129 0.00005 -0.00017 175 3PZ 0.01742 0.00069 0.00312 -0.00150 0.00089 176 4XX 0.00017 -0.00022 0.00003 0.00004 -0.00003 177 4YY -0.00060 0.00089 -0.00026 -0.00005 0.00008 178 4ZZ 0.00029 0.00006 0.00008 0.00000 0.00005 179 4XY -0.00003 0.00014 0.00005 -0.00006 0.00006 180 4XZ 0.00003 0.00017 0.00010 0.00002 0.00003 181 4YZ -0.00013 0.00018 -0.00003 -0.00007 0.00002 182 18 H 1S -0.00034 0.00007 -0.00134 -0.00028 0.00048 183 2S -0.00439 0.00503 -0.00758 -0.00002 0.00113 184 19 H 1S 0.00126 -0.00101 -0.00048 0.00048 -0.00004 185 2S 0.00380 -0.00059 0.00378 0.00082 -0.00018 46 47 48 49 50 46 4ZZ 0.00218 47 4XY 0.00006 0.00087 48 4XZ -0.00026 0.00050 0.00121 49 4YZ 0.00030 -0.00015 -0.00012 0.00157 50 4 C 1S -0.00015 0.00004 0.00023 0.00078 2.05366 51 2S -0.00045 -0.00018 -0.00115 -0.00182 -0.06457 52 2PX 0.00177 -0.00026 0.00092 -0.00218 -0.00144 53 2PY 0.00082 0.00150 -0.00075 -0.00140 0.00123 54 2PZ -0.00085 -0.00087 0.00498 0.00519 -0.00346 55 3S -0.00372 0.00022 0.00051 -0.00334 -0.16281 56 3PX 0.00219 0.00034 0.00070 -0.00158 0.00472 57 3PY -0.00039 0.00128 0.00042 -0.00115 0.00651 58 3PZ 0.00236 -0.00006 0.00079 0.00259 0.00627 59 4XX -0.00011 0.00000 0.00014 0.00003 -0.01200 60 4YY -0.00022 -0.00026 -0.00003 0.00019 -0.02070 61 4ZZ 0.00017 0.00021 -0.00036 -0.00007 -0.01581 62 4XY 0.00012 -0.00001 0.00005 0.00005 -0.00215 63 4XZ -0.00036 0.00003 0.00014 -0.00010 -0.00166 64 4YZ -0.00012 0.00015 0.00036 0.00014 0.00110 65 5 C 1S -0.00255 -0.00145 0.00445 0.00088 0.01224 66 2S 0.00251 0.00219 -0.00849 -0.00194 -0.01987 67 2PX 0.00800 -0.00139 -0.01265 -0.00240 -0.01721 68 2PY 0.00066 -0.00934 -0.00601 0.00265 0.02513 69 2PZ 0.00196 -0.00179 -0.00092 -0.00341 -0.06295 70 3S 0.00538 -0.00187 -0.00795 0.00050 -0.01627 71 3PX 0.00362 -0.00091 -0.00326 -0.00252 -0.00695 72 3PY 0.00073 -0.00573 -0.00323 0.00254 -0.00605 73 3PZ 0.00368 -0.00108 -0.00207 0.00101 -0.01554 74 4XX 0.00094 0.00029 -0.00036 -0.00005 0.00295 75 4YY -0.00027 -0.00025 0.00038 0.00049 0.00145 76 4ZZ -0.00086 0.00012 0.00022 -0.00045 -0.00590 77 4XY 0.00010 -0.00004 -0.00069 0.00092 0.00088 78 4XZ 0.00064 0.00016 0.00062 0.00028 -0.00228 79 4YZ 0.00032 0.00052 0.00059 0.00002 0.00417 80 6 C 1S -0.00046 0.00023 -0.00051 0.00054 -0.00341 81 2S 0.00074 -0.00086 0.00082 -0.00099 0.00629 82 2PX -0.00107 -0.00345 0.00068 0.00008 0.00703 83 2PY 0.00109 0.00154 0.00051 0.00014 -0.01022 84 2PZ -0.00151 0.00184 0.00007 0.00070 0.00367 85 3S -0.00231 -0.00001 0.00247 -0.00364 0.01469 86 3PX -0.00132 -0.00019 0.00088 -0.00077 0.00692 87 3PY -0.00015 -0.00182 -0.00221 0.00228 -0.01576 88 3PZ -0.00110 0.00079 -0.00093 0.00048 0.00378 89 4XX 0.00019 -0.00010 -0.00044 0.00011 0.00009 90 4YY -0.00009 0.00020 0.00017 -0.00006 -0.00030 91 4ZZ 0.00011 0.00010 0.00014 -0.00007 -0.00068 92 4XY -0.00007 0.00012 0.00021 0.00007 -0.00001 93 4XZ 0.00017 0.00011 0.00015 -0.00024 -0.00062 94 4YZ -0.00002 0.00005 0.00004 0.00012 0.00133 95 7 C 1S 0.00086 -0.00021 -0.00043 0.00032 -0.00203 96 2S -0.00059 0.00045 0.00082 -0.00084 0.00361 97 2PX -0.00041 -0.00005 -0.00031 -0.00203 0.00179 98 2PY -0.00067 -0.00117 -0.00149 0.00064 -0.00598 99 2PZ 0.00117 -0.00033 -0.00066 -0.00022 0.00091 100 3S -0.00104 0.00248 0.00246 -0.00385 0.00687 101 3PX -0.00301 -0.00140 -0.00086 -0.00171 -0.00031 102 3PY 0.00164 0.00022 -0.00097 -0.00003 -0.00231 103 3PZ -0.00086 -0.00090 -0.00090 -0.00055 -0.00184 104 4XX -0.00002 0.00001 -0.00005 0.00003 -0.00005 105 4YY -0.00005 -0.00003 0.00000 -0.00002 0.00010 106 4ZZ 0.00009 -0.00003 0.00003 0.00003 -0.00027 107 4XY -0.00004 0.00010 0.00000 -0.00001 -0.00037 108 4XZ -0.00007 0.00014 0.00004 -0.00017 0.00004 109 4YZ 0.00010 -0.00009 0.00002 0.00007 0.00017 110 8 C 1S 0.00090 0.00003 -0.00006 0.00019 -0.00331 111 2S -0.00118 -0.00005 0.00056 -0.00092 0.00798 112 2PX -0.00092 -0.00093 0.00015 0.00090 -0.00323 113 2PY 0.00031 0.00085 -0.00092 -0.00058 -0.01605 114 2PZ -0.00058 0.00100 -0.00053 0.00013 -0.00014 115 3S 0.00117 0.00114 0.00010 0.00179 0.00893 116 3PX -0.00389 0.00002 0.00084 -0.00204 -0.00202 117 3PY -0.00075 0.00184 0.00177 -0.00243 -0.00854 118 3PZ -0.00199 -0.00022 0.00002 -0.00166 -0.00071 119 4XX -0.00015 0.00005 0.00012 -0.00029 0.00005 120 4YY -0.00016 -0.00002 0.00004 -0.00006 -0.00143 121 4ZZ 0.00014 -0.00002 -0.00006 0.00031 0.00092 122 4XY -0.00012 0.00005 0.00000 0.00007 -0.00105 123 4XZ -0.00006 0.00002 -0.00006 -0.00012 -0.00010 124 4YZ 0.00028 0.00002 -0.00005 0.00019 -0.00101 125 9 C 1S 0.00045 -0.00010 -0.00076 0.00000 0.02019 126 2S -0.00107 0.00000 0.00126 0.00010 -0.03983 127 2PX -0.00120 -0.00106 -0.00020 -0.00296 0.03263 128 2PY -0.00087 -0.00025 -0.00119 -0.00003 0.05837 129 2PZ 0.00103 -0.00009 -0.00235 0.00106 0.05350 130 3S -0.00210 0.00121 0.00272 -0.00023 -0.00823 131 3PX -0.00118 -0.00084 0.00005 -0.00157 0.00613 132 3PY 0.00043 0.00056 -0.00006 -0.00050 0.01112 133 3PZ 0.00067 -0.00044 -0.00152 0.00110 0.00956 134 4XX -0.00007 -0.00001 -0.00003 0.00005 0.00125 135 4YY -0.00014 -0.00003 0.00012 0.00002 -0.00092 136 4ZZ 0.00017 -0.00004 -0.00024 -0.00008 -0.00023 137 4XY 0.00001 -0.00002 0.00005 0.00013 -0.00243 138 4XZ -0.00014 0.00001 -0.00007 -0.00007 -0.00215 139 4YZ 0.00003 0.00002 -0.00001 -0.00005 -0.00480 140 10 H 1S -0.00068 -0.00146 0.00033 0.00109 -0.06301 141 2S 0.00010 -0.00111 0.00050 0.00111 -0.01419 142 11 H 1S -0.00044 0.00549 0.00294 0.00199 0.01002 143 2S 0.00064 0.00375 0.00362 0.00422 0.00868 144 12 H 1S -0.00005 0.00059 -0.00040 0.00046 -0.00781 145 2S 0.00184 0.00020 -0.00101 0.00228 -0.00861 146 13 H 1S 0.00029 -0.00019 -0.00110 -0.00023 0.01293 147 2S 0.00064 -0.00005 -0.00130 -0.00087 0.01425 148 14 C 1S -0.00030 -0.00017 0.00016 0.00026 0.00140 149 2S 0.00099 0.00035 -0.00047 -0.00059 -0.00309 150 2PX 0.00227 0.00036 0.00071 -0.00157 -0.00795 151 2PY 0.00050 -0.00064 0.00131 0.00007 -0.00192 152 2PZ -0.00016 0.00118 -0.00186 0.00088 0.00541 153 3S 0.00042 0.00050 -0.00152 -0.00044 -0.00318 154 3PX 0.00105 0.00020 0.00057 -0.00055 -0.00424 155 3PY 0.00017 0.00032 0.00153 -0.00113 0.00089 156 3PZ -0.00066 0.00089 -0.00147 0.00095 0.00607 157 4XX 0.00003 -0.00010 0.00007 -0.00003 0.00015 158 4YY -0.00005 -0.00002 0.00005 0.00004 0.00025 159 4ZZ -0.00005 0.00006 -0.00005 0.00004 0.00003 160 4XY 0.00004 0.00005 -0.00003 -0.00004 -0.00051 161 4XZ -0.00001 0.00007 -0.00002 0.00000 -0.00010 162 4YZ 0.00001 0.00001 0.00000 0.00000 -0.00014 163 15 H 1S -0.00027 -0.00041 0.00036 0.00038 0.00242 164 2S -0.00020 -0.00064 0.00066 0.00065 0.00377 165 16 H 1S -0.00025 0.00008 -0.00025 -0.00013 -0.00177 166 2S -0.00042 0.00056 0.00011 0.00011 0.00007 167 17 C 1S 0.00016 0.00018 0.00016 -0.00011 0.00006 168 2S -0.00005 -0.00039 -0.00031 0.00028 -0.00002 169 2PX -0.00093 -0.00006 -0.00049 0.00009 0.00063 170 2PY -0.00016 0.00094 0.00011 -0.00074 0.00162 171 2PZ 0.00121 -0.00027 0.00075 0.00017 0.00027 172 3S -0.00188 -0.00185 -0.00047 0.00082 0.00083 173 3PX -0.00021 0.00002 -0.00021 0.00039 0.00017 174 3PY 0.00055 0.00107 0.00008 -0.00059 0.00080 175 3PZ 0.00187 -0.00013 0.00054 0.00058 -0.00013 176 4XX -0.00001 0.00002 -0.00002 -0.00005 -0.00005 177 4YY -0.00001 0.00000 0.00000 0.00006 0.00010 178 4ZZ 0.00000 0.00001 0.00002 0.00001 -0.00003 179 4XY 0.00003 0.00001 0.00002 0.00005 0.00007 180 4XZ 0.00005 0.00001 0.00000 0.00000 0.00004 181 4YZ -0.00007 0.00001 0.00001 0.00003 -0.00005 182 18 H 1S 0.00010 0.00018 0.00017 0.00011 0.00083 183 2S -0.00043 0.00030 0.00024 0.00012 0.00020 184 19 H 1S 0.00015 0.00008 -0.00008 -0.00032 -0.00013 185 2S 0.00055 0.00014 -0.00001 -0.00039 -0.00042 51 52 53 54 55 51 2S 0.33084 52 2PX 0.00487 0.34833 53 2PY 0.00222 0.02200 0.42098 54 2PZ -0.00216 0.01634 0.00179 0.40471 55 3S 0.26233 -0.02789 -0.02600 -0.01748 0.25491 56 3PX -0.01154 0.21282 -0.02137 -0.02322 -0.02455 57 3PY -0.02513 -0.03420 0.13349 0.00500 -0.01404 58 3PZ -0.01652 -0.02502 0.00118 0.16058 -0.02530 59 4XX -0.01418 0.00767 -0.00058 -0.00157 -0.01100 60 4YY 0.00414 -0.00489 -0.01560 0.00745 0.00580 61 4ZZ -0.00555 -0.00522 0.00870 -0.00979 -0.00469 62 4XY 0.00493 0.00921 -0.00301 0.00301 0.00290 63 4XZ 0.00378 0.00520 0.00383 -0.00299 0.00177 64 4YZ -0.00206 0.00165 0.00969 0.01325 -0.00313 65 5 C 1S -0.02595 0.01217 -0.02332 0.05971 0.03381 66 2S 0.04075 -0.02961 0.04312 -0.12983 -0.01776 67 2PX 0.04053 0.02856 0.02039 -0.08752 0.04768 68 2PY -0.05547 0.02265 -0.03061 0.11783 -0.03072 69 2PZ 0.12781 -0.08531 0.09424 -0.26725 0.14486 70 3S 0.03271 0.00813 0.08238 -0.11174 -0.05596 71 3PX 0.01746 0.01555 0.01209 -0.03045 0.01875 72 3PY 0.00364 0.03076 0.00808 0.04804 -0.00631 73 3PZ 0.03301 -0.02744 0.03694 -0.08770 0.02379 74 4XX -0.00695 0.00435 -0.00417 0.00998 -0.00437 75 4YY -0.00323 0.00232 -0.00896 0.00370 -0.00351 76 4ZZ 0.01121 -0.00486 0.00927 -0.00474 0.01093 77 4XY -0.00094 -0.00337 0.00177 0.00273 -0.00311 78 4XZ 0.00469 0.01005 0.00343 -0.00701 0.00084 79 4YZ -0.00828 0.00255 0.00544 0.00963 -0.01139 80 6 C 1S 0.00563 -0.00421 0.00705 -0.00857 0.01356 81 2S -0.01637 0.01889 -0.01883 0.02126 -0.01691 82 2PX -0.01711 0.00875 -0.02106 0.02984 -0.03582 83 2PY 0.03118 -0.00143 0.02011 -0.03296 0.03382 84 2PZ -0.01359 -0.00176 0.00008 0.00976 -0.03216 85 3S -0.02301 0.00416 -0.04597 0.02500 0.00048 86 3PX -0.00305 -0.00439 -0.01713 -0.01770 0.01075 87 3PY 0.02944 0.00023 0.03029 -0.02999 0.01652 88 3PZ -0.00460 -0.00636 0.01083 -0.00404 -0.00799 89 4XX -0.00077 0.00317 -0.00207 -0.00146 -0.00126 90 4YY 0.00006 -0.00270 0.00128 -0.00083 -0.00158 91 4ZZ 0.00105 0.00037 0.00070 -0.00052 0.00134 92 4XY -0.00028 0.00232 -0.00130 0.00184 0.00051 93 4XZ 0.00166 -0.00081 0.00211 -0.00471 0.00237 94 4YZ -0.00297 0.00496 -0.00398 0.00515 -0.00402 95 7 C 1S 0.00398 -0.01069 0.00802 0.00200 0.00307 96 2S -0.00634 0.03070 -0.01694 -0.00805 -0.01269 97 2PX -0.00060 0.03032 -0.01428 -0.02269 0.00167 98 2PY 0.01239 -0.03410 0.02480 0.00044 0.02420 99 2PZ -0.00410 0.02412 -0.01197 -0.01586 0.00542 100 3S -0.01636 0.03558 -0.04175 -0.00342 -0.01615 101 3PX -0.00063 -0.00014 -0.01003 -0.01895 0.00299 102 3PY 0.00984 0.00739 0.00924 -0.02020 0.01152 103 3PZ 0.00297 0.00797 -0.00435 -0.01789 0.00598 104 4XX 0.00037 0.00162 -0.00044 -0.00176 0.00051 105 4YY -0.00088 -0.00168 0.00032 0.00180 -0.00159 106 4ZZ 0.00092 0.00074 0.00021 -0.00073 0.00158 107 4XY 0.00083 0.00070 0.00156 0.00134 0.00095 108 4XZ 0.00018 0.00067 -0.00004 -0.00063 0.00138 109 4YZ -0.00024 0.00323 -0.00098 0.00030 -0.00131 110 8 C 1S 0.00856 0.00399 0.01136 0.00290 -0.01179 111 2S -0.01891 -0.00734 -0.03195 -0.00986 -0.00347 112 2PX 0.00596 -0.02937 0.01484 0.01985 0.00481 113 2PY 0.03996 0.03134 0.04517 0.01564 0.06254 114 2PZ -0.00251 0.00980 -0.01063 -0.00292 0.03642 115 3S -0.02227 -0.03590 -0.04711 0.01789 -0.01396 116 3PX 0.00198 -0.04536 0.00652 0.00981 0.00703 117 3PY 0.02003 0.02535 0.03637 0.00515 0.03790 118 3PZ 0.00197 0.00903 -0.02551 -0.01235 0.02912 119 4XX 0.00001 -0.00045 -0.00087 0.00036 0.00059 120 4YY 0.00299 0.00627 0.00570 0.00290 0.00198 121 4ZZ -0.00138 -0.00579 -0.00191 -0.00029 -0.00105 122 4XY 0.00222 -0.00807 0.00615 0.00498 0.00339 123 4XZ 0.00057 0.00851 -0.00120 -0.00305 0.00114 124 4YZ 0.00227 0.00391 0.00298 0.00187 0.00217 125 9 C 1S -0.03979 -0.03163 -0.05710 -0.05486 -0.00104 126 2S 0.06971 0.06090 0.11156 0.11262 0.02514 127 2PX -0.06288 0.22697 -0.14184 -0.17077 -0.06337 128 2PY -0.11981 -0.14836 -0.11261 -0.13590 -0.07402 129 2PZ -0.10534 -0.16378 -0.11632 -0.07565 -0.06568 130 3S 0.03738 0.06763 0.10078 0.07449 -0.00466 131 3PX -0.01626 0.17281 -0.06800 -0.08628 -0.02335 132 3PY -0.02952 -0.06609 -0.02265 -0.03951 -0.01070 133 3PZ -0.03038 -0.09384 -0.02753 0.00265 -0.01377 134 4XX -0.00293 -0.00980 -0.00213 -0.00052 -0.00064 135 4YY 0.00042 0.00181 -0.01265 0.00346 0.00227 136 4ZZ 0.00002 0.00260 0.00482 -0.01172 -0.00125 137 4XY 0.00438 -0.00585 0.00219 0.00675 0.00350 138 4XZ 0.00412 -0.00539 0.00749 0.00025 0.00352 139 4YZ 0.00958 0.00819 0.00550 0.00308 0.00795 140 10 H 1S 0.11961 -0.04034 -0.25564 0.05515 0.11471 141 2S 0.02890 -0.03581 -0.21362 0.05458 0.03772 142 11 H 1S -0.02018 0.01825 0.00685 0.03840 -0.06888 143 2S -0.01876 0.02976 0.01426 0.06564 -0.05948 144 12 H 1S 0.01667 0.01595 0.02059 0.01692 0.04177 145 2S 0.01951 0.02765 0.03825 0.02147 0.02521 146 13 H 1S -0.02687 -0.01641 -0.01381 -0.03930 -0.02984 147 2S -0.02536 -0.02567 -0.01305 -0.07897 -0.02189 148 14 C 1S -0.00369 0.00027 -0.00221 0.00727 -0.00630 149 2S 0.00805 -0.00012 0.00511 -0.01687 0.01505 150 2PX 0.02204 -0.01079 0.01583 -0.03442 0.04759 151 2PY 0.00686 -0.01582 0.00896 -0.00284 -0.01028 152 2PZ -0.01218 0.02195 -0.01050 0.01314 -0.01780 153 3S 0.01501 -0.01170 0.01221 -0.04880 0.02946 154 3PX 0.01412 -0.01230 0.01636 -0.02476 0.02530 155 3PY 0.00294 -0.02172 0.00507 -0.00786 0.00325 156 3PZ -0.01220 0.01563 -0.01396 0.00881 -0.01481 157 4XX 0.00009 0.00010 -0.00016 0.00071 0.00016 158 4YY -0.00070 -0.00014 -0.00018 0.00094 -0.00171 159 4ZZ -0.00019 -0.00001 0.00018 -0.00012 -0.00018 160 4XY 0.00142 -0.00076 0.00111 -0.00216 0.00256 161 4XZ 0.00020 -0.00034 0.00032 -0.00043 0.00085 162 4YZ 0.00056 -0.00006 0.00045 -0.00062 0.00078 163 15 H 1S -0.00586 0.00078 -0.00412 0.01171 -0.02182 164 2S -0.01035 0.01098 -0.00930 0.02349 -0.02707 165 16 H 1S 0.00301 -0.00203 0.00273 -0.00653 0.00997 166 2S 0.00103 -0.00651 0.00422 -0.00215 0.00610 167 17 C 1S 0.00018 0.00471 -0.00126 -0.00053 -0.00235 168 2S -0.00086 -0.01008 0.00172 0.00168 0.00086 169 2PX -0.00142 -0.02300 0.00544 0.00859 -0.00424 170 2PY -0.00178 0.00328 -0.00441 0.00168 -0.00474 171 2PZ 0.00001 0.01879 -0.00682 -0.01047 -0.00719 172 3S -0.00558 -0.03530 0.00381 0.01296 -0.00296 173 3PX -0.00147 -0.00937 0.00606 0.01472 -0.00345 174 3PY -0.00051 0.00751 -0.00335 -0.00105 -0.00154 175 3PZ 0.00064 0.02367 -0.00460 -0.00682 -0.00572 176 4XX 0.00015 0.00124 -0.00009 -0.00037 0.00050 177 4YY -0.00021 -0.00031 -0.00017 0.00031 -0.00047 178 4ZZ 0.00009 -0.00062 0.00006 0.00019 -0.00020 179 4XY -0.00023 -0.00074 -0.00004 0.00066 -0.00093 180 4XZ -0.00007 0.00089 -0.00035 -0.00020 0.00006 181 4YZ 0.00017 -0.00204 0.00076 0.00072 -0.00031 182 18 H 1S -0.00112 -0.00573 -0.00035 0.00210 -0.00626 183 2S 0.00045 -0.01112 0.00244 0.00333 -0.00385 184 19 H 1S 0.00025 0.01045 -0.00242 -0.00311 0.00466 185 2S 0.00104 0.02382 -0.00290 -0.00360 0.00428 56 57 58 59 60 56 3PX 0.14131 57 3PY -0.02980 0.05504 58 3PZ -0.02314 0.00680 0.07970 59 4XX 0.00553 -0.00007 -0.00077 0.00097 60 4YY -0.00269 -0.00463 0.00260 -0.00021 0.00156 61 4ZZ -0.00310 0.00316 -0.00276 0.00027 -0.00078 62 4XY 0.00516 -0.00253 -0.00023 -0.00003 0.00023 63 4XZ 0.00306 0.00007 -0.00201 0.00007 -0.00033 64 4YZ -0.00131 0.00305 0.00437 0.00001 -0.00021 65 5 C 1S 0.00087 0.01363 0.00154 0.00068 0.00210 66 2S -0.00175 -0.00074 -0.02230 -0.00177 -0.00414 67 2PX 0.00758 0.00334 -0.03694 -0.00361 -0.00162 68 2PY 0.02261 0.00114 0.06233 0.00251 0.00801 69 2PZ -0.03553 0.03957 -0.10164 -0.00530 -0.00491 70 3S 0.01658 -0.00293 -0.01305 -0.00015 -0.00616 71 3PX 0.00469 0.00107 -0.01514 -0.00136 -0.00090 72 3PY 0.01629 -0.00408 0.02016 0.00044 0.00331 73 3PZ -0.00917 0.01176 -0.02154 -0.00142 -0.00243 74 4XX 0.00321 0.00027 0.00563 0.00019 0.00019 75 4YY 0.00197 -0.00395 0.00069 0.00027 0.00035 76 4ZZ -0.00514 0.00283 -0.00406 -0.00052 -0.00022 77 4XY -0.00391 -0.00025 0.00117 -0.00018 -0.00002 78 4XZ 0.00698 -0.00150 -0.00396 0.00010 -0.00048 79 4YZ 0.00152 0.00160 0.00568 0.00038 -0.00039 80 6 C 1S -0.00891 0.00849 -0.00904 -0.00127 -0.00066 81 2S 0.02439 -0.00949 0.01657 0.00201 0.00124 82 2PX 0.01148 -0.01504 0.02382 0.00100 0.00295 83 2PY -0.02415 -0.00515 -0.03641 -0.00274 -0.00271 84 2PZ -0.00065 0.00312 0.02737 0.00113 -0.00126 85 3S 0.01311 -0.00509 0.01597 0.00215 0.00233 86 3PX 0.00204 -0.00469 -0.01404 -0.00009 0.00073 87 3PY -0.01276 -0.00191 -0.02317 -0.00147 -0.00116 88 3PZ -0.00349 0.00742 0.00654 0.00045 -0.00114 89 4XX 0.00249 -0.00087 0.00034 0.00009 0.00005 90 4YY -0.00132 0.00048 0.00111 0.00000 -0.00009 91 4ZZ -0.00067 -0.00006 -0.00208 -0.00013 -0.00009 92 4XY 0.00065 -0.00055 -0.00006 0.00002 -0.00005 93 4XZ -0.00031 0.00065 -0.00257 -0.00011 -0.00016 94 4YZ 0.00295 -0.00200 0.00205 0.00022 0.00009 95 7 C 1S -0.00705 0.00395 0.00203 -0.00030 0.00004 96 2S 0.01939 -0.01391 -0.00651 0.00084 -0.00053 97 2PX 0.03085 -0.00852 -0.00571 0.00030 -0.00035 98 2PY -0.02284 0.01828 0.00823 -0.00056 0.00044 99 2PZ 0.02188 -0.00110 -0.02474 0.00045 0.00001 100 3S 0.02182 -0.01969 -0.00651 0.00118 -0.00090 101 3PX 0.00339 -0.00330 -0.00282 0.00041 0.00065 102 3PY 0.00483 0.00400 -0.00942 -0.00023 -0.00036 103 3PZ 0.00383 -0.00111 -0.02078 0.00031 -0.00030 104 4XX 0.00096 -0.00025 -0.00140 0.00007 -0.00024 105 4YY -0.00068 0.00063 0.00225 0.00003 0.00028 106 4ZZ 0.00041 -0.00017 -0.00120 -0.00007 0.00000 107 4XY 0.00037 0.00060 0.00150 0.00002 -0.00026 108 4XZ 0.00085 0.00030 -0.00026 -0.00006 0.00001 109 4YZ 0.00188 -0.00119 -0.00002 0.00016 -0.00018 110 8 C 1S -0.00018 -0.00864 0.00590 0.00000 -0.00200 111 2S 0.00025 -0.00221 -0.00779 0.00020 0.00425 112 2PX -0.03129 0.01102 0.01772 0.00120 -0.00227 113 2PY 0.02541 0.01782 0.01866 0.00011 -0.01126 114 2PZ 0.02104 0.01257 0.00242 -0.00115 0.00320 115 3S -0.01971 -0.00086 0.00412 -0.00003 0.00465 116 3PX -0.03764 0.01191 0.00879 0.00051 -0.00089 117 3PY 0.02280 0.01470 0.00919 0.00016 -0.00580 118 3PZ 0.01290 -0.00206 -0.00904 -0.00054 0.00228 119 4XX -0.00054 -0.00038 -0.00070 0.00001 -0.00021 120 4YY 0.00312 0.00142 0.00028 -0.00004 0.00017 121 4ZZ -0.00352 -0.00013 0.00128 0.00002 -0.00026 122 4XY -0.00571 0.00331 0.00284 -0.00036 0.00004 123 4XZ 0.00664 -0.00102 -0.00110 0.00013 -0.00013 124 4YZ 0.00226 0.00079 0.00104 0.00002 -0.00025 125 9 C 1S -0.00438 -0.00572 -0.01061 0.00119 -0.00045 126 2S 0.01176 0.02479 0.02690 -0.00282 0.00029 127 2PX 0.16731 -0.07027 -0.08687 0.01019 -0.00287 128 2PY -0.06799 -0.00944 -0.04553 0.00069 0.01092 129 2PZ -0.07940 -0.01169 -0.00620 0.00188 -0.00527 130 3S 0.02166 0.01706 0.01327 -0.00096 -0.00194 131 3PX 0.12141 -0.04161 -0.04829 0.00600 -0.00158 132 3PY -0.03030 0.00524 -0.00536 -0.00081 0.00367 133 3PZ -0.05417 0.00575 0.01307 -0.00077 -0.00084 134 4XX -0.00568 0.00065 0.00114 -0.00005 0.00001 135 4YY 0.00234 -0.00379 0.00117 -0.00003 0.00092 136 4ZZ 0.00195 0.00063 -0.00468 0.00019 -0.00087 137 4XY -0.00479 0.00123 0.00331 -0.00032 0.00023 138 4XZ -0.00402 0.00284 0.00031 -0.00031 -0.00030 139 4YZ 0.00437 0.00044 0.00063 -0.00022 -0.00025 140 10 H 1S -0.01311 -0.08553 0.01905 -0.00568 0.01416 141 2S -0.00809 -0.06405 0.02465 -0.00213 0.01196 142 11 H 1S 0.00678 -0.01466 0.01884 0.00127 -0.00326 143 2S 0.00922 -0.01116 0.02571 0.00118 -0.00216 144 12 H 1S 0.01514 0.01699 0.01471 -0.00032 -0.00247 145 2S 0.01827 0.01427 0.01687 -0.00038 -0.00301 146 13 H 1S -0.00624 -0.00274 -0.01365 0.00163 -0.00615 147 2S -0.00827 -0.00199 -0.02802 0.00157 -0.00634 148 14 C 1S 0.00067 0.00027 0.00575 0.00023 0.00034 149 2S -0.00071 0.00078 -0.01294 -0.00049 -0.00063 150 2PX -0.00808 0.00527 -0.03909 -0.00147 -0.00106 151 2PY -0.01367 -0.00541 -0.00243 -0.00059 0.00013 152 2PZ 0.01966 -0.00016 0.02056 0.00181 -0.00016 153 3S -0.00721 0.00436 -0.03098 -0.00125 -0.00132 154 3PX -0.00961 0.00412 -0.02606 -0.00120 -0.00097 155 3PY -0.01525 0.00071 -0.00667 -0.00072 -0.00021 156 3PZ 0.01441 -0.00165 0.01528 0.00126 0.00004 157 4XX 0.00016 -0.00041 -0.00018 0.00000 0.00008 158 4YY 0.00000 -0.00014 0.00115 0.00003 0.00003 159 4ZZ -0.00011 0.00033 0.00033 0.00001 -0.00007 160 4XY -0.00117 0.00040 -0.00185 -0.00014 -0.00011 161 4XZ -0.00021 0.00030 -0.00026 0.00000 -0.00006 162 4YZ -0.00056 -0.00007 -0.00087 -0.00007 -0.00005 163 15 H 1S 0.00130 -0.00541 0.01285 0.00049 0.00058 164 2S 0.00981 -0.00695 0.01773 0.00101 0.00104 165 16 H 1S -0.00387 0.00231 -0.00626 -0.00060 -0.00038 166 2S -0.00766 0.00286 -0.00314 -0.00060 -0.00066 167 17 C 1S 0.00318 -0.00254 -0.00008 -0.00004 -0.00031 168 2S -0.00713 0.00344 0.00109 0.00005 0.00067 169 2PX -0.01683 0.00473 0.01798 -0.00011 0.00143 170 2PY 0.00606 -0.00276 0.01027 -0.00036 0.00019 171 2PZ 0.00630 -0.00908 -0.02254 0.00067 -0.00135 172 3S -0.02237 0.00669 0.01124 -0.00006 0.00203 173 3PX -0.00464 0.00384 0.01803 -0.00017 0.00113 174 3PY 0.00703 -0.00164 0.00448 -0.00020 0.00006 175 3PZ 0.01211 -0.00777 -0.01696 0.00061 -0.00142 176 4XX 0.00135 0.00001 0.00009 0.00001 -0.00006 177 4YY -0.00058 -0.00017 -0.00027 0.00001 -0.00001 178 4ZZ -0.00051 -0.00008 0.00029 -0.00003 0.00001 179 4XY -0.00090 -0.00014 0.00029 0.00000 0.00002 180 4XZ 0.00074 -0.00013 -0.00044 0.00001 -0.00002 181 4YZ -0.00183 0.00025 0.00095 -0.00003 0.00003 182 18 H 1S -0.00664 -0.00150 0.00199 0.00000 0.00017 183 2S -0.01172 -0.00029 0.00256 -0.00020 -0.00004 184 19 H 1S 0.01144 0.00001 -0.00249 -0.00004 -0.00024 185 2S 0.02126 -0.00208 -0.00295 0.00018 -0.00063 61 62 63 64 65 61 4ZZ 0.00138 62 4XY -0.00041 0.00049 63 4XZ 0.00011 0.00007 0.00046 64 4YZ 0.00002 0.00011 -0.00001 0.00095 65 5 C 1S -0.00490 0.00154 -0.00215 0.00266 2.05281 66 2S 0.00964 -0.00294 0.00404 -0.00592 -0.05443 67 2PX 0.00458 0.00215 -0.00552 -0.00234 0.01621 68 2PY -0.00900 -0.00161 -0.00182 -0.00512 0.00767 69 2PZ 0.00295 -0.00406 0.00315 -0.01058 -0.00173 70 3S 0.00879 -0.00240 0.00599 -0.00493 -0.22852 71 3PX 0.00122 0.00076 -0.00192 -0.00046 0.00850 72 3PY -0.00443 0.00048 0.00022 -0.00175 -0.01920 73 3PZ 0.00168 -0.00145 0.00092 -0.00396 -0.02503 74 4XX -0.00024 0.00018 -0.00061 0.00005 -0.01329 75 4YY -0.00033 0.00009 0.00011 0.00002 -0.01553 76 4ZZ 0.00020 -0.00005 0.00025 0.00026 -0.01514 77 4XY 0.00045 0.00009 -0.00028 0.00040 -0.00024 78 4XZ 0.00005 0.00036 0.00041 0.00009 -0.00118 79 4YZ 0.00011 -0.00006 0.00012 0.00063 -0.00215 80 6 C 1S 0.00049 0.00030 -0.00025 0.00083 0.01225 81 2S -0.00174 -0.00071 0.00080 -0.00195 -0.02523 82 2PX -0.00296 -0.00192 0.00203 -0.00294 -0.04011 83 2PY 0.00390 0.00263 -0.00332 0.00530 0.05230 84 2PZ -0.00150 -0.00208 0.00115 0.00002 0.00810 85 3S -0.00374 -0.00126 0.00027 -0.00268 0.02372 86 3PX 0.00030 -0.00043 -0.00019 -0.00084 0.01925 87 3PY 0.00219 0.00112 -0.00011 0.00117 -0.01424 88 3PZ 0.00012 -0.00103 0.00046 -0.00003 0.00652 89 4XX -0.00003 0.00010 -0.00006 -0.00020 0.00006 90 4YY 0.00011 -0.00011 0.00018 -0.00005 -0.00393 91 4ZZ 0.00011 0.00007 -0.00010 0.00020 0.00171 92 4XY -0.00008 0.00019 -0.00013 0.00034 0.00467 93 4XZ 0.00014 -0.00002 -0.00004 -0.00004 0.00116 94 4YZ -0.00016 0.00013 0.00000 0.00017 -0.00005 95 7 C 1S -0.00001 0.00013 0.00008 -0.00020 -0.00314 96 2S 0.00011 0.00005 0.00016 0.00040 0.00682 97 2PX 0.00122 0.00029 0.00052 -0.00086 -0.00304 98 2PY -0.00012 0.00068 -0.00005 -0.00127 -0.01162 99 2PZ 0.00009 -0.00082 0.00083 -0.00195 -0.00726 100 3S 0.00085 -0.00007 -0.00017 0.00123 0.00250 101 3PX 0.00003 -0.00079 0.00096 -0.00172 -0.01980 102 3PY 0.00040 0.00157 -0.00048 -0.00025 0.01130 103 3PZ 0.00016 -0.00066 0.00088 -0.00145 -0.00485 104 4XX 0.00016 0.00006 0.00009 -0.00003 0.00049 105 4YY -0.00032 -0.00002 0.00002 -0.00009 -0.00122 106 4ZZ 0.00006 0.00006 -0.00005 0.00004 -0.00017 107 4XY 0.00010 -0.00006 0.00003 0.00008 0.00056 108 4XZ 0.00003 0.00002 -0.00009 0.00011 0.00081 109 4YZ -0.00001 0.00000 0.00012 -0.00013 -0.00059 110 8 C 1S 0.00117 -0.00088 0.00042 -0.00002 -0.00488 111 2S -0.00267 0.00152 -0.00087 0.00017 0.00427 112 2PX -0.00069 0.00046 0.00115 -0.00103 -0.00177 113 2PY 0.00663 -0.00351 0.00204 -0.00131 -0.00763 114 2PZ -0.00188 0.00003 -0.00162 0.00016 -0.00378 115 3S -0.00336 0.00258 -0.00197 -0.00006 0.04086 116 3PX -0.00042 -0.00089 0.00115 -0.00092 -0.00902 117 3PY 0.00303 -0.00184 0.00152 0.00006 -0.01269 118 3PZ -0.00099 -0.00057 -0.00070 -0.00061 -0.01181 119 4XX 0.00016 -0.00021 0.00002 -0.00004 -0.00035 120 4YY -0.00034 0.00034 0.00014 0.00029 -0.00049 121 4ZZ 0.00036 -0.00018 -0.00003 -0.00007 -0.00101 122 4XY 0.00006 -0.00023 -0.00016 0.00030 0.00032 123 4XZ -0.00004 0.00012 0.00011 -0.00010 0.00011 124 4YZ -0.00013 0.00004 0.00002 -0.00009 -0.00054 125 9 C 1S -0.00049 -0.00244 -0.00221 -0.00478 -0.00303 126 2S -0.00022 0.00457 0.00399 0.00948 0.00755 127 2PX -0.00134 0.00532 0.00547 -0.00832 -0.00756 128 2PY -0.00205 -0.00215 -0.00565 -0.00469 -0.00166 129 2PZ 0.01305 -0.00760 -0.00074 -0.00380 -0.00849 130 3S 0.00139 0.00376 0.00418 0.00883 -0.01502 131 3PX -0.00240 0.00431 0.00407 -0.00448 -0.00041 132 3PY -0.00049 -0.00131 -0.00228 -0.00131 -0.00504 133 3PZ 0.00480 -0.00334 -0.00117 -0.00025 0.00982 134 4XX 0.00015 -0.00041 -0.00026 -0.00021 -0.00008 135 4YY -0.00077 0.00024 -0.00026 -0.00020 0.00123 136 4ZZ 0.00083 -0.00013 0.00038 -0.00026 -0.00198 137 4XY -0.00020 0.00003 -0.00009 0.00019 0.00037 138 4XZ 0.00044 -0.00022 0.00015 0.00022 -0.00073 139 4YZ -0.00017 0.00021 0.00019 0.00007 -0.00044 140 10 H 1S -0.00917 0.00350 -0.00220 -0.00526 0.01282 141 2S -0.00790 0.00208 -0.00302 -0.00404 0.01899 142 11 H 1S 0.00490 0.00113 0.00232 0.00570 -0.05887 143 2S 0.00183 0.00199 0.00119 0.00640 -0.01886 144 12 H 1S 0.00039 -0.00041 0.00011 -0.00005 -0.00223 145 2S 0.00056 0.00008 0.00012 0.00065 0.00012 146 13 H 1S 0.00866 -0.00185 0.00322 0.00015 -0.00760 147 2S 0.00800 -0.00264 0.00239 -0.00219 -0.01284 148 14 C 1S -0.00037 -0.00036 0.00044 -0.00017 -0.00456 149 2S 0.00092 0.00077 -0.00093 0.00020 0.00900 150 2PX 0.00313 0.00149 -0.00180 0.00101 0.01034 151 2PY 0.00073 -0.00035 0.00052 0.00007 -0.01117 152 2PZ -0.00092 0.00059 0.00017 0.00000 0.00460 153 3S 0.00268 0.00049 -0.00137 0.00016 0.02376 154 3PX 0.00239 0.00048 -0.00078 0.00079 0.00522 155 3PY 0.00097 -0.00059 -0.00017 0.00017 0.00096 156 3PZ -0.00066 0.00030 0.00005 0.00008 0.00805 157 4XX -0.00001 0.00002 0.00001 -0.00001 -0.00107 158 4YY -0.00009 -0.00007 0.00008 -0.00004 -0.00080 159 4ZZ 0.00000 -0.00004 0.00000 0.00003 0.00074 160 4XY 0.00017 0.00006 -0.00015 0.00015 0.00207 161 4XZ 0.00005 0.00001 -0.00005 0.00006 0.00097 162 4YZ 0.00007 0.00004 -0.00007 0.00010 0.00111 163 15 H 1S -0.00097 -0.00047 0.00087 -0.00061 -0.01030 164 2S -0.00171 -0.00034 0.00131 -0.00082 -0.01642 165 16 H 1S 0.00020 -0.00001 -0.00051 0.00031 0.00799 166 2S 0.00059 -0.00014 -0.00053 0.00095 0.00923 167 17 C 1S 0.00017 -0.00010 0.00002 0.00027 0.00132 168 2S -0.00051 0.00020 -0.00008 -0.00052 -0.00341 169 2PX -0.00094 0.00040 -0.00064 0.00012 -0.00122 170 2PY 0.00044 0.00018 -0.00058 0.00112 0.00638 171 2PZ 0.00071 -0.00034 0.00086 -0.00045 0.00198 172 3S -0.00149 -0.00112 0.00042 -0.00136 -0.01645 173 3PX -0.00095 0.00022 -0.00045 0.00029 -0.00161 174 3PY 0.00025 0.00068 -0.00068 0.00093 0.00775 175 3PZ 0.00071 0.00017 0.00067 -0.00029 0.00179 176 4XX 0.00005 0.00000 0.00003 -0.00002 -0.00012 177 4YY 0.00000 -0.00003 -0.00001 0.00003 0.00029 178 4ZZ 0.00002 0.00001 -0.00003 0.00006 0.00005 179 4XY -0.00004 0.00001 -0.00001 0.00005 0.00014 180 4XZ 0.00001 -0.00001 0.00001 -0.00002 0.00001 181 4YZ -0.00001 0.00002 -0.00005 0.00008 0.00038 182 18 H 1S 0.00001 0.00012 -0.00023 0.00042 0.00298 183 2S 0.00021 -0.00006 -0.00030 0.00079 0.00414 184 19 H 1S 0.00027 -0.00006 0.00016 -0.00020 -0.00133 185 2S 0.00035 0.00004 0.00037 -0.00031 -0.00155 66 67 68 69 70 66 2S 0.32138 67 2PX -0.02653 0.33607 68 2PY -0.01496 -0.03192 0.41450 69 2PZ 0.00764 0.04548 0.02255 0.41227 70 3S 0.31455 -0.08595 0.01676 0.01199 0.40419 71 3PX -0.02672 0.11658 -0.01438 0.02672 -0.04051 72 3PY 0.00311 -0.01892 0.16814 0.01134 0.04829 73 3PZ 0.02243 0.02209 0.01891 0.13732 0.03910 74 4XX -0.00741 0.01386 0.01019 -0.00794 -0.01192 75 4YY -0.00315 -0.01078 0.00254 -0.00632 0.00167 76 4ZZ -0.00341 0.00206 -0.01357 0.00842 -0.00363 77 4XY 0.00111 0.01209 -0.00991 -0.01024 -0.00005 78 4XZ 0.00223 -0.00890 -0.01195 0.00368 0.00822 79 4YZ 0.00473 -0.01229 -0.00659 -0.01355 0.00731 80 6 C 1S -0.02001 0.03838 -0.05603 -0.00500 -0.01123 81 2S 0.04013 -0.07928 0.11686 0.00564 0.01930 82 2PX 0.07666 -0.09461 0.16583 -0.00371 0.14605 83 2PY -0.10900 0.17175 -0.20777 -0.02430 -0.13466 84 2PZ -0.01743 0.00809 -0.03899 0.02117 -0.02292 85 3S -0.01156 -0.05985 0.12424 0.02598 -0.04629 86 3PX -0.00401 -0.00374 0.02290 0.01387 -0.02333 87 3PY 0.00004 0.05432 -0.05532 0.00118 0.01956 88 3PZ -0.00873 0.01071 -0.02051 0.01921 -0.02986 89 4XX 0.00046 0.00577 0.00320 0.00037 -0.00014 90 4YY 0.00724 -0.00706 -0.00177 -0.00054 0.01079 91 4ZZ -0.00379 0.00509 -0.00717 -0.00147 -0.00410 92 4XY -0.00968 0.00501 -0.00997 -0.00267 -0.01170 93 4XZ -0.00218 0.00269 -0.00292 0.00604 -0.00409 94 4YZ -0.00023 -0.00124 -0.00088 -0.00905 -0.00016 95 7 C 1S 0.00723 -0.00728 0.01215 0.00558 0.00495 96 2S -0.01710 0.01587 -0.02928 -0.01018 -0.00139 97 2PX 0.00744 0.00102 0.00860 0.00725 -0.00516 98 2PY 0.03018 -0.03229 0.04551 0.01925 0.07567 99 2PZ 0.02237 -0.01481 0.03587 0.00653 0.01877 100 3S -0.02498 0.03041 -0.07300 -0.04439 -0.03574 101 3PX 0.02372 -0.01667 0.04134 0.01542 0.03849 102 3PY -0.00779 0.02384 -0.01135 0.01697 -0.01713 103 3PZ 0.00865 -0.00067 0.02021 0.01540 0.00596 104 4XX -0.00131 0.00117 -0.00428 0.00051 -0.00234 105 4YY 0.00197 -0.00457 0.00650 0.00135 0.00280 106 4ZZ 0.00018 0.00128 -0.00026 -0.00075 -0.00076 107 4XY -0.00070 0.00134 -0.00245 0.00018 -0.00270 108 4XZ -0.00136 0.00254 -0.00355 -0.00097 -0.00393 109 4YZ 0.00086 -0.00160 0.00341 0.00059 0.00223 110 8 C 1S 0.00491 0.00382 0.00334 0.00599 0.03882 111 2S -0.01676 -0.01008 -0.01119 -0.01742 -0.03000 112 2PX -0.00037 -0.03341 0.01343 0.01907 0.02941 113 2PY 0.02241 0.01883 -0.01143 0.03421 0.02317 114 2PZ 0.02022 0.01443 0.02703 -0.01790 -0.00818 115 3S -0.04315 -0.01439 -0.01552 -0.01732 -0.06375 116 3PX 0.00196 -0.03904 0.00944 0.02080 0.01494 117 3PY 0.01477 -0.01089 -0.01353 0.02034 0.00797 118 3PZ 0.01693 0.00766 0.01588 -0.01915 0.00204 119 4XX -0.00051 0.00067 -0.00112 -0.00039 -0.00138 120 4YY -0.00018 -0.00127 0.00192 -0.00163 0.00092 121 4ZZ 0.00011 -0.00027 -0.00229 0.00133 0.00027 122 4XY -0.00059 0.00067 -0.00072 0.00050 -0.00288 123 4XZ 0.00047 0.00180 0.00008 0.00067 -0.00023 124 4YZ 0.00082 0.00045 0.00159 0.00040 0.00195 125 9 C 1S 0.00930 0.00456 0.00065 0.01586 -0.00086 126 2S -0.02068 -0.01186 0.00214 -0.03924 -0.00294 127 2PX 0.01788 -0.00734 0.01274 0.02691 0.04217 128 2PY 0.01013 0.00451 -0.00357 0.02468 -0.03086 129 2PZ 0.03090 0.01292 -0.01337 0.04508 0.00798 130 3S -0.00529 -0.02761 -0.04546 -0.05343 0.01420 131 3PX 0.00592 -0.00979 0.02138 0.01606 0.02615 132 3PY 0.00723 0.00366 0.00496 0.02428 -0.01298 133 3PZ 0.00197 0.01247 0.00988 0.01568 -0.01205 134 4XX 0.00047 -0.00080 0.00035 0.00112 -0.00063 135 4YY -0.00262 -0.00193 0.00275 -0.00690 -0.00469 136 4ZZ 0.00431 0.00380 -0.00278 0.01064 0.00595 137 4XY -0.00103 -0.00182 0.00085 -0.00068 -0.00033 138 4XZ 0.00163 0.00063 -0.00150 0.00548 0.00109 139 4YZ 0.00081 0.00188 -0.00018 0.00129 0.00183 140 10 H 1S -0.02799 -0.01079 0.03320 -0.03493 -0.05565 141 2S -0.03199 -0.02079 0.05957 -0.05598 -0.05460 142 11 H 1S 0.11485 -0.09113 -0.18734 -0.17979 0.12604 143 2S 0.03422 -0.06683 -0.15089 -0.14939 0.05367 144 12 H 1S 0.00865 0.00482 0.00458 0.00229 0.00117 145 2S 0.00668 0.01662 0.00139 0.00204 0.00904 146 13 H 1S 0.01925 0.00849 -0.01347 0.03977 0.02401 147 2S 0.02658 0.01665 -0.02153 0.06886 0.02834 148 14 C 1S 0.00994 -0.01349 0.00996 -0.00515 0.01761 149 2S -0.02057 0.03059 -0.02004 0.01321 -0.03578 150 2PX -0.02280 0.03463 -0.03791 0.01422 -0.07473 151 2PY 0.02401 -0.01895 0.00800 -0.00413 0.07353 152 2PZ -0.00735 0.00511 -0.01598 -0.01369 -0.03888 153 3S -0.03261 0.06720 -0.05279 0.03570 -0.07537 154 3PX -0.00764 0.01890 -0.03178 0.00978 -0.02937 155 3PY 0.00462 -0.00437 -0.00639 0.00550 0.01807 156 3PZ -0.00806 0.00927 -0.01902 -0.01461 -0.03196 157 4XX 0.00161 -0.00285 0.00386 -0.00086 0.00254 158 4YY 0.00167 -0.00268 0.00181 -0.00023 0.00475 159 4ZZ -0.00145 0.00197 -0.00279 0.00060 -0.00303 160 4XY -0.00410 0.00714 -0.00711 0.00081 -0.00701 161 4XZ -0.00189 0.00161 -0.00261 0.00064 -0.00475 162 4YZ -0.00202 0.00350 -0.00352 -0.00043 -0.00217 163 15 H 1S 0.02098 -0.02943 0.02961 -0.00596 0.06178 164 2S 0.03168 -0.05481 0.05250 -0.01561 0.07579 165 16 H 1S -0.01797 0.02506 -0.01740 0.00827 -0.02650 166 2S -0.01786 0.02529 -0.03750 -0.00237 -0.02892 167 17 C 1S -0.00415 0.00596 -0.00857 -0.00226 -0.00642 168 2S 0.00717 -0.01326 0.01811 0.00446 0.01978 169 2PX 0.00407 -0.00681 0.00991 -0.00028 0.01261 170 2PY -0.01441 0.02434 -0.02855 -0.00825 -0.06199 171 2PZ -0.00444 0.00340 -0.00850 0.00241 -0.02125 172 3S 0.02884 -0.05114 0.06983 0.01224 0.06281 173 3PX 0.00615 -0.01023 0.01613 -0.00497 0.01239 174 3PY -0.01484 0.02404 -0.03124 -0.00849 -0.04375 175 3PZ -0.00286 0.00205 -0.00645 -0.00003 -0.00727 176 4XX 0.00021 -0.00007 0.00027 0.00041 -0.00040 177 4YY -0.00069 0.00074 -0.00129 -0.00054 -0.00064 178 4ZZ -0.00064 0.00068 -0.00123 -0.00030 -0.00165 179 4XY -0.00077 0.00045 -0.00123 -0.00054 -0.00208 180 4XZ 0.00006 0.00030 0.00007 -0.00012 -0.00095 181 4YZ -0.00088 0.00055 -0.00175 -0.00025 -0.00085 182 18 H 1S -0.00686 0.00710 -0.01261 -0.00299 -0.02596 183 2S -0.01035 0.01233 -0.02457 -0.00567 -0.02801 184 19 H 1S 0.00290 -0.00031 0.00514 0.00125 -0.00024 185 2S 0.00515 -0.00004 0.00898 0.00008 0.00324 71 72 73 74 75 71 3PX 0.05221 72 3PY -0.00633 0.08982 73 3PZ 0.00896 0.01277 0.06428 74 4XX 0.00353 0.00077 -0.00138 0.00264 75 4YY -0.00286 0.00224 -0.00223 -0.00063 0.00121 76 4ZZ 0.00133 -0.00455 0.00035 -0.00085 -0.00023 77 4XY 0.00238 -0.00265 -0.00169 0.00015 -0.00017 78 4XZ -0.00202 -0.00208 0.00143 -0.00104 0.00054 79 4YZ -0.00386 -0.00288 -0.00270 -0.00008 0.00022 80 6 C 1S 0.00497 -0.01190 -0.00196 -0.00103 -0.00323 81 2S -0.01529 0.02544 -0.00144 0.00181 0.00582 82 2PX -0.00626 0.09798 0.01834 -0.01017 0.00967 83 2PY 0.08831 -0.07844 -0.01863 -0.00348 0.00219 84 2PZ 0.00519 -0.02567 0.04018 0.00014 -0.00187 85 3S -0.00563 0.01977 -0.00126 0.00243 0.00437 86 3PX 0.01132 0.00125 -0.00749 -0.00229 0.00291 87 3PY 0.02508 -0.00079 -0.00065 -0.00558 0.00230 88 3PZ -0.00117 -0.02186 0.01466 0.00187 -0.00261 89 4XX 0.00063 0.00078 0.00170 0.00061 -0.00038 90 4YY -0.00296 0.00047 0.00121 -0.00053 0.00011 91 4ZZ 0.00295 -0.00153 -0.00184 -0.00012 -0.00003 92 4XY 0.00235 -0.00457 -0.00043 0.00011 0.00002 93 4XZ 0.00244 -0.00170 0.00125 -0.00004 -0.00002 94 4YZ -0.00025 -0.00020 -0.00223 0.00012 0.00033 95 7 C 1S -0.00805 0.00458 -0.00023 0.00057 -0.00124 96 2S 0.01436 -0.00658 0.00167 -0.00150 0.00263 97 2PX 0.00405 -0.01099 0.00667 -0.00012 -0.00099 98 2PY -0.04845 0.03124 0.00836 0.00225 -0.00397 99 2PZ -0.02004 0.01878 -0.02601 0.00385 -0.00421 100 3S 0.02667 -0.03560 -0.01573 -0.00072 0.00232 101 3PX -0.00710 0.01752 0.00895 -0.00313 0.00106 102 3PY 0.00091 -0.01039 0.00395 0.00264 -0.00234 103 3PZ -0.00284 0.01301 -0.01199 0.00022 -0.00143 104 4XX 0.00012 -0.00203 -0.00019 0.00014 -0.00024 105 4YY -0.00237 0.00239 0.00187 0.00009 -0.00004 106 4ZZ 0.00142 0.00006 -0.00155 -0.00020 0.00027 107 4XY 0.00063 -0.00254 0.00069 0.00009 -0.00002 108 4XZ 0.00114 -0.00287 -0.00090 0.00005 0.00000 109 4YZ 0.00077 0.00198 0.00058 -0.00014 0.00038 110 8 C 1S 0.00425 0.01264 0.01223 -0.00094 -0.00059 111 2S -0.00398 -0.00863 -0.01233 0.00028 0.00015 112 2PX -0.01646 0.01774 0.01979 -0.00054 0.00018 113 2PY 0.00638 -0.01832 0.01270 0.00056 -0.00144 114 2PZ -0.00924 -0.00316 -0.02275 0.00062 0.00209 115 3S -0.00766 -0.00970 -0.00156 0.00458 -0.00197 116 3PX -0.01467 0.00817 0.01099 -0.00189 -0.00018 117 3PY -0.00619 -0.01998 0.00140 0.00086 -0.00142 118 3PZ -0.00122 -0.00021 -0.02726 -0.00192 0.00244 119 4XX 0.00106 -0.00077 -0.00166 -0.00002 -0.00006 120 4YY -0.00142 0.00172 -0.00093 -0.00002 -0.00002 121 4ZZ 0.00004 -0.00167 0.00185 -0.00005 0.00012 122 4XY 0.00058 -0.00101 -0.00019 -0.00010 -0.00009 123 4XZ 0.00092 -0.00069 0.00083 -0.00009 0.00023 124 4YZ 0.00017 0.00161 0.00046 0.00008 0.00001 125 9 C 1S 0.00076 -0.00515 0.00554 0.00002 0.00081 126 2S -0.00385 0.01027 -0.01439 -0.00032 -0.00101 127 2PX -0.00370 0.00950 0.01511 -0.00054 0.00486 128 2PY -0.00720 -0.01730 0.00008 -0.00096 0.00139 129 2PZ 0.00190 -0.04628 0.02413 0.00080 0.00130 130 3S -0.01300 -0.01052 -0.01948 -0.00176 -0.00018 131 3PX -0.00503 0.01535 0.01034 -0.00029 0.00286 132 3PY -0.00401 -0.01008 0.00751 0.00098 -0.00069 133 3PZ 0.00473 -0.01362 0.00934 0.00101 -0.00016 134 4XX -0.00023 -0.00070 0.00028 -0.00006 0.00000 135 4YY -0.00107 0.00067 -0.00326 0.00020 0.00035 136 4ZZ 0.00164 -0.00111 0.00461 -0.00025 -0.00019 137 4XY -0.00092 0.00100 0.00020 0.00001 -0.00007 138 4XZ 0.00044 -0.00110 0.00170 -0.00028 -0.00022 139 4YZ 0.00073 0.00114 0.00013 -0.00009 -0.00007 140 10 H 1S -0.00652 0.01020 -0.01817 0.00160 0.00433 141 2S -0.01126 0.01513 -0.02097 0.00400 0.00384 142 11 H 1S -0.03870 -0.06567 -0.05284 -0.00737 0.00377 143 2S -0.02437 -0.04647 -0.03804 -0.00527 0.00416 144 12 H 1S -0.00365 -0.00568 -0.00173 0.00037 0.00060 145 2S 0.00425 0.00064 0.00780 0.00014 0.00085 146 13 H 1S 0.00380 -0.02091 0.02090 -0.00048 0.00014 147 2S 0.00786 -0.02078 0.02865 -0.00116 -0.00067 148 14 C 1S -0.00370 0.00449 0.00002 -0.00163 0.00084 149 2S 0.00718 -0.00932 -0.00103 0.00337 -0.00173 150 2PX 0.01817 -0.03412 -0.03643 0.00288 0.00047 151 2PY 0.00682 0.01735 -0.00891 -0.00629 0.00345 152 2PZ -0.02303 -0.04183 0.00126 0.00815 -0.00518 153 3S 0.02034 -0.03326 -0.00155 0.00358 -0.00337 154 3PX 0.01349 -0.01705 -0.01973 -0.00053 0.00068 155 3PY 0.00974 0.00145 -0.00769 -0.00316 0.00177 156 3PZ -0.01397 -0.03018 0.00419 0.00511 -0.00352 157 4XX -0.00023 0.00171 -0.00135 -0.00020 0.00033 158 4YY -0.00086 0.00207 0.00128 -0.00027 0.00007 159 4ZZ 0.00048 -0.00170 0.00094 0.00012 -0.00016 160 4XY 0.00340 -0.00296 -0.00014 -0.00002 -0.00002 161 4XZ 0.00030 -0.00224 0.00000 0.00027 -0.00011 162 4YZ 0.00193 -0.00038 0.00004 -0.00012 0.00007 163 15 H 1S -0.00992 0.02369 0.00740 -0.00237 0.00088 164 2S -0.02042 0.03276 0.00357 -0.00233 0.00156 165 16 H 1S 0.01164 0.00385 0.01021 -0.00002 -0.00024 166 2S 0.01335 -0.00815 0.00600 -0.00080 0.00021 167 17 C 1S 0.00744 -0.00405 0.00165 -0.00044 0.00042 168 2S -0.01495 0.01169 -0.00064 0.00081 -0.00094 169 2PX -0.01390 -0.00141 0.01295 0.00052 -0.00058 170 2PY 0.02444 -0.03700 0.00586 -0.00075 0.00068 171 2PZ 0.01800 -0.00038 -0.01867 -0.00108 0.00130 172 3S -0.03138 0.04145 0.00650 -0.00155 0.00026 173 3PX -0.01188 0.00232 0.00934 0.00071 -0.00039 174 3PY 0.01326 -0.02827 0.00232 0.00116 -0.00054 175 3PZ 0.01132 0.00330 -0.01242 -0.00007 0.00088 176 4XX -0.00006 -0.00049 0.00039 0.00005 -0.00008 177 4YY 0.00050 -0.00017 -0.00047 -0.00003 0.00006 178 4ZZ 0.00104 -0.00091 0.00025 -0.00012 0.00011 179 4XY 0.00097 -0.00079 -0.00007 -0.00006 0.00009 180 4XZ 0.00035 -0.00026 -0.00064 0.00004 -0.00002 181 4YZ 0.00046 -0.00089 0.00077 -0.00015 0.00011 182 18 H 1S 0.00993 -0.01340 -0.00145 -0.00063 0.00061 183 2S 0.01340 -0.01675 -0.00152 -0.00143 0.00106 184 19 H 1S -0.00044 0.00048 -0.00169 0.00037 -0.00049 185 2S 0.00027 0.00127 -0.00221 0.00065 -0.00043 76 77 78 79 80 76 4ZZ 0.00165 77 4XY 0.00019 0.00188 78 4XZ 0.00004 -0.00032 0.00201 79 4YZ -0.00040 -0.00006 0.00046 0.00174 80 6 C 1S 0.00306 0.00593 0.00037 -0.00092 2.05312 81 2S -0.00714 -0.01154 -0.00002 0.00221 -0.06557 82 2PX -0.00611 -0.00536 0.00051 0.00411 0.00580 83 2PY 0.00848 0.01115 0.00251 -0.00325 -0.00172 84 2PZ 0.00163 0.00324 -0.00730 0.00891 0.00305 85 3S -0.00483 -0.01193 -0.00468 0.00071 -0.15581 86 3PX -0.00072 -0.00256 0.00105 -0.00244 -0.02555 87 3PY 0.00360 0.00579 0.00274 -0.00291 0.00298 88 3PZ 0.00121 0.00121 -0.00380 0.00230 -0.01706 89 4XX -0.00026 0.00028 -0.00030 -0.00023 -0.01557 90 4YY 0.00000 -0.00006 0.00020 0.00052 -0.01544 91 4ZZ 0.00035 0.00037 0.00018 -0.00009 -0.01365 92 4XY 0.00030 0.00043 0.00009 0.00010 0.00114 93 4XZ 0.00015 -0.00032 0.00025 -0.00020 -0.00271 94 4YZ -0.00030 0.00015 -0.00006 0.00053 -0.00225 95 7 C 1S -0.00013 -0.00001 0.00025 -0.00109 0.01469 96 2S 0.00013 0.00001 0.00031 0.00224 -0.02815 97 2PX -0.00116 -0.00142 0.00298 -0.00200 0.02668 98 2PY -0.00018 -0.00076 0.00083 -0.00494 0.04891 99 2PZ -0.00051 -0.00151 0.00053 -0.00306 0.04500 100 3S 0.00152 0.00019 -0.00087 0.00397 -0.00327 101 3PX 0.00026 -0.00169 -0.00097 -0.00165 0.00811 102 3PY -0.00025 -0.00009 0.00181 -0.00292 -0.00579 103 3PZ 0.00102 -0.00091 -0.00118 -0.00228 0.00337 104 4XX 0.00013 0.00015 0.00009 -0.00013 0.00128 105 4YY -0.00024 -0.00030 -0.00024 0.00025 -0.00209 106 4ZZ -0.00001 -0.00001 0.00030 -0.00021 -0.00195 107 4XY 0.00008 0.00003 -0.00015 0.00019 -0.00317 108 4XZ 0.00010 0.00002 0.00003 0.00001 -0.00235 109 4YZ -0.00024 -0.00027 0.00007 0.00014 -0.00498 110 8 C 1S -0.00033 -0.00034 -0.00011 -0.00037 -0.00338 111 2S -0.00024 0.00022 0.00006 0.00036 0.00782 112 2PX 0.00042 -0.00094 -0.00256 0.00109 -0.01240 113 2PY 0.00135 -0.00081 0.00114 -0.00134 -0.00002 114 2PZ -0.00144 0.00015 0.00050 -0.00120 -0.00915 115 3S -0.00292 0.00116 0.00016 0.00074 0.00810 116 3PX 0.00218 -0.00224 -0.00410 0.00102 -0.00885 117 3PY 0.00142 -0.00284 0.00124 0.00037 -0.00037 118 3PZ 0.00089 -0.00068 -0.00032 -0.00197 -0.00255 119 4XX 0.00024 -0.00015 -0.00025 -0.00001 -0.00040 120 4YY 0.00010 -0.00007 0.00025 0.00003 0.00058 121 4ZZ -0.00007 0.00021 -0.00008 0.00002 -0.00041 122 4XY 0.00032 0.00023 -0.00034 0.00011 -0.00079 123 4XZ -0.00019 -0.00012 0.00036 0.00001 -0.00119 124 4YZ -0.00008 0.00004 0.00019 0.00012 -0.00055 125 9 C 1S -0.00131 -0.00038 -0.00083 -0.00113 -0.00201 126 2S 0.00285 0.00098 0.00169 0.00241 0.00417 127 2PX -0.00727 -0.00690 0.00739 -0.00246 -0.01061 128 2PY -0.00278 0.00131 -0.00385 -0.00250 0.00403 129 2PZ -0.00422 0.00103 -0.00665 -0.00328 -0.00181 130 3S 0.00315 0.00148 0.00348 0.00398 0.00277 131 3PX -0.00423 -0.00475 0.00559 -0.00133 -0.00646 132 3PY -0.00080 -0.00035 -0.00187 -0.00073 -0.00105 133 3PZ -0.00119 0.00126 -0.00423 -0.00157 0.00082 134 4XX 0.00006 0.00006 -0.00039 -0.00004 -0.00037 135 4YY -0.00030 -0.00007 -0.00004 -0.00003 -0.00018 136 4ZZ 0.00009 -0.00010 0.00028 -0.00033 0.00028 137 4XY 0.00016 0.00011 -0.00020 0.00008 -0.00002 138 4XZ 0.00042 0.00004 -0.00013 -0.00011 0.00012 139 4YZ 0.00028 -0.00006 0.00036 -0.00009 -0.00015 140 10 H 1S -0.00220 -0.00123 -0.00273 -0.00561 -0.00404 141 2S -0.00510 -0.00157 -0.00385 -0.00259 -0.00453 142 11 H 1S 0.00068 0.00706 0.00818 0.01376 0.01035 143 2S 0.00031 0.00722 0.00750 0.01162 0.01191 144 12 H 1S -0.00009 0.00016 0.00076 0.00015 -0.00682 145 2S -0.00076 0.00168 0.00185 0.00107 -0.00930 146 13 H 1S -0.00132 -0.00052 -0.00092 -0.00164 -0.00026 147 2S -0.00042 -0.00101 -0.00046 -0.00250 0.00061 148 14 C 1S -0.00029 0.00044 -0.00033 0.00157 0.02131 149 2S 0.00052 -0.00090 0.00078 -0.00316 -0.04137 150 2PX 0.00096 -0.00393 0.00555 -0.00773 -0.07545 151 2PY 0.00085 0.00069 0.00203 -0.00045 0.00743 152 2PZ -0.00087 0.00056 -0.00445 0.00178 -0.04436 153 3S 0.00247 0.00087 0.00074 -0.00602 -0.02853 154 3PX 0.00132 -0.00101 0.00386 -0.00412 -0.02106 155 3PY 0.00106 -0.00058 0.00110 -0.00077 0.00218 156 3PZ -0.00049 0.00169 -0.00340 0.00180 -0.01153 157 4XX -0.00016 -0.00031 0.00024 -0.00014 -0.00371 158 4YY -0.00005 0.00008 -0.00004 0.00027 0.00319 159 4ZZ 0.00012 0.00020 -0.00023 0.00018 0.00060 160 4XY 0.00031 0.00033 0.00007 -0.00020 0.00071 161 4XZ 0.00006 -0.00005 -0.00007 -0.00003 -0.00427 162 4YZ 0.00015 0.00023 0.00007 -0.00005 0.00090 163 15 H 1S -0.00075 0.00023 -0.00074 0.00182 0.01201 164 2S -0.00217 -0.00110 -0.00003 0.00264 0.01378 165 16 H 1S 0.00080 0.00108 -0.00001 -0.00012 0.01299 166 2S 0.00136 0.00217 -0.00011 0.00103 0.01498 167 17 C 1S 0.00005 0.00023 0.00008 0.00044 -0.00428 168 2S -0.00043 -0.00057 -0.00018 -0.00081 0.00834 169 2PX -0.00014 0.00034 -0.00128 0.00017 0.00023 170 2PY 0.00007 0.00123 -0.00014 0.00174 -0.01319 171 2PZ 0.00060 -0.00052 0.00084 -0.00002 -0.00801 172 3S -0.00086 -0.00154 -0.00187 -0.00052 0.01940 173 3PX -0.00084 0.00011 -0.00053 0.00071 0.00257 174 3PY 0.00001 0.00091 0.00031 0.00087 -0.00868 175 3PZ -0.00039 -0.00052 0.00185 -0.00013 -0.00381 176 4XX -0.00005 -0.00005 0.00010 -0.00005 0.00092 177 4YY 0.00007 0.00010 -0.00010 0.00008 -0.00073 178 4ZZ 0.00002 0.00006 0.00002 0.00006 -0.00087 179 4XY 0.00004 0.00008 -0.00010 0.00015 -0.00151 180 4XZ -0.00002 -0.00001 0.00003 -0.00001 0.00021 181 4YZ 0.00008 0.00012 -0.00008 0.00010 -0.00119 182 18 H 1S 0.00036 0.00065 -0.00037 0.00086 -0.00897 183 2S 0.00116 0.00140 -0.00082 0.00116 -0.01186 184 19 H 1S -0.00048 -0.00045 0.00066 -0.00040 0.00622 185 2S -0.00090 -0.00079 0.00130 -0.00049 0.00644 81 82 83 84 85 81 2S 0.33783 82 2PX -0.00475 0.41525 83 2PY 0.00118 -0.01616 0.38665 84 2PZ -0.00962 0.03456 0.01674 0.37817 85 3S 0.24670 0.04066 0.00650 0.05328 0.25457 86 3PX 0.05168 0.04875 0.04015 -0.06456 0.04562 87 3PY -0.01418 0.03453 0.13199 -0.02662 -0.01562 88 3PZ 0.02662 -0.07449 -0.01685 0.14077 0.03919 89 4XX -0.00477 -0.00736 -0.00645 0.00172 -0.00400 90 4YY -0.00679 0.01128 -0.00350 0.00280 -0.00349 91 4ZZ -0.00999 0.00331 0.00816 -0.00204 -0.00677 92 4XY -0.00272 -0.00488 0.01049 0.00744 -0.00211 93 4XZ 0.00672 -0.00201 0.00671 -0.00391 0.00353 94 4YZ 0.00459 0.00354 0.00328 0.00915 0.00366 95 7 C 1S -0.02864 -0.02627 -0.04665 -0.04651 0.00227 96 2S 0.05110 0.05314 0.09486 0.09294 0.01079 97 2PX -0.05174 -0.01834 -0.07829 -0.11023 -0.08831 98 2PY -0.09985 -0.05652 -0.12275 -0.15928 -0.09862 99 2PZ -0.09120 -0.09822 -0.17245 -0.08045 -0.09891 100 3S 0.02282 0.05815 0.11167 0.12068 0.01294 101 3PX -0.02518 0.06089 -0.03902 -0.01321 -0.01592 102 3PY 0.00365 -0.08664 -0.01000 -0.08201 -0.00772 103 3PZ -0.01721 -0.03918 -0.05619 -0.00966 -0.00766 104 4XX -0.00342 -0.00977 -0.00321 -0.00304 -0.00532 105 4YY 0.00284 0.00281 -0.00732 0.00577 0.00492 106 4ZZ 0.00304 0.00296 0.00621 -0.00844 0.00368 107 4XY 0.00609 -0.00350 0.00431 0.00842 0.00816 108 4XZ 0.00432 -0.00424 0.00524 0.00106 0.00234 109 4YZ 0.00942 0.00767 0.00511 0.00408 0.00994 110 8 C 1S 0.00764 0.00881 0.00818 0.01017 0.00303 111 2S -0.01704 -0.02066 -0.01763 -0.02290 -0.02500 112 2PX 0.02762 0.03194 0.02237 0.04221 0.08699 113 2PY -0.00043 -0.00796 -0.00232 -0.00012 -0.00403 114 2PZ 0.01898 0.02558 0.02133 0.01582 0.06277 115 3S -0.01156 -0.07930 -0.03461 -0.07596 -0.04278 116 3PX 0.01454 0.03939 0.00378 0.04931 0.06354 117 3PY 0.00049 -0.01662 -0.02328 -0.00646 -0.00389 118 3PZ 0.00537 0.03265 0.01764 0.00482 0.03595 119 4XX 0.00077 -0.00088 0.00046 0.00305 0.00046 120 4YY -0.00069 -0.00027 -0.00141 -0.00224 0.00058 121 4ZZ 0.00066 0.00087 0.00322 0.00094 0.00095 122 4XY 0.00131 0.00153 0.00455 0.00356 0.00289 123 4XZ 0.00285 0.00398 0.00293 0.00297 0.00154 124 4YZ 0.00152 0.00179 0.00047 0.00278 0.00282 125 9 C 1S 0.00408 0.00443 -0.00266 0.00455 0.00634 126 2S -0.00788 -0.00492 0.00696 -0.01295 -0.01339 127 2PX 0.02927 0.02614 -0.04007 0.01697 0.04369 128 2PY -0.01121 -0.00539 0.00070 -0.01865 0.00440 129 2PZ 0.00046 0.00245 0.00160 0.00679 0.01742 130 3S -0.01415 -0.02182 0.01576 -0.00865 -0.02529 131 3PX 0.02016 0.01724 -0.03713 0.01310 0.02257 132 3PY -0.00070 -0.00648 -0.00881 -0.00128 0.00545 133 3PZ 0.00057 0.00363 0.00596 -0.00429 0.00476 134 4XX 0.00049 0.00061 0.00033 0.00119 0.00120 135 4YY 0.00071 0.00141 -0.00148 -0.00034 0.00160 136 4ZZ -0.00063 -0.00059 0.00073 -0.00099 -0.00174 137 4XY 0.00003 0.00073 0.00087 0.00012 0.00131 138 4XZ -0.00061 -0.00050 0.00075 0.00062 -0.00096 139 4YZ 0.00052 0.00071 0.00184 0.00058 0.00062 140 10 H 1S 0.00975 0.01622 -0.01630 -0.00483 0.02616 141 2S 0.01421 0.02187 -0.03812 0.00097 0.03134 142 11 H 1S -0.02072 -0.00683 0.03624 0.01436 -0.05949 143 2S -0.02459 0.00374 0.06628 0.03715 -0.05143 144 12 H 1S 0.01446 0.01588 0.01948 0.01952 0.04020 145 2S 0.02030 0.02743 0.04065 0.03632 0.03680 146 13 H 1S -0.00026 -0.00084 -0.00218 0.00223 0.00370 147 2S -0.00334 -0.00595 -0.00210 0.00255 -0.00096 148 14 C 1S -0.04281 0.07605 -0.00933 0.04395 -0.00044 149 2S 0.07467 -0.14564 0.01835 -0.08603 0.01508 150 2PX 0.15414 -0.15358 0.08857 -0.25499 0.07273 151 2PY -0.01372 0.08848 0.08823 -0.07827 -0.00121 152 2PZ 0.08601 -0.25524 -0.07295 0.10536 0.06132 153 3S 0.06950 -0.20909 0.03680 -0.11052 0.00059 154 3PX 0.05034 -0.04980 0.05909 -0.14748 0.01012 155 3PY -0.00161 0.05499 0.06383 -0.05860 0.00576 156 3PZ 0.02610 -0.15043 -0.05426 0.09995 0.01756 157 4XX 0.00633 0.00410 0.00214 -0.01019 0.00411 158 4YY -0.00732 0.00929 -0.00324 0.00525 -0.00455 159 4ZZ -0.00209 -0.00109 -0.00001 0.01148 0.00009 160 4XY -0.00108 0.00076 0.01111 0.00119 -0.00052 161 4XZ 0.00780 -0.01002 0.00190 0.00198 0.00489 162 4YZ -0.00206 0.00309 0.00656 0.00006 -0.00217 163 15 H 1S -0.02742 0.03855 -0.01576 0.01410 -0.01897 164 2S -0.02956 0.06558 -0.05308 0.00895 -0.01924 165 16 H 1S -0.02940 0.03222 0.00895 0.02539 -0.03051 166 2S -0.03141 0.04361 0.03682 0.05222 -0.02195 167 17 C 1S 0.00969 0.00078 0.01390 0.00876 0.00864 168 2S -0.01917 -0.00253 -0.03105 -0.01965 -0.02101 169 2PX -0.00250 -0.00638 -0.00732 0.00256 0.03405 170 2PY 0.02984 -0.00177 0.03847 0.03341 0.04931 171 2PZ 0.01814 0.01095 0.02053 0.00121 0.06053 172 3S -0.04112 0.07054 -0.07653 -0.00627 -0.02870 173 3PX -0.00319 -0.00122 -0.02122 0.00268 0.00688 174 3PY 0.01866 -0.03372 0.02511 0.01487 0.01748 175 3PZ 0.01117 0.00411 0.01142 -0.02050 0.01950 176 4XX -0.00148 -0.00177 -0.00340 -0.00299 -0.00406 177 4YY 0.00149 0.00066 0.00343 0.00499 0.00250 178 4ZZ 0.00183 0.00176 0.00373 0.00058 0.00298 179 4XY 0.00284 0.00099 0.00379 0.00469 0.00637 180 4XZ -0.00018 -0.00092 -0.00110 -0.00015 -0.00024 181 4YZ 0.00241 0.00271 0.00633 0.00335 0.00488 182 18 H 1S 0.01852 0.00732 0.02995 0.02227 0.05615 183 2S 0.02366 0.01407 0.05714 0.04130 0.06259 184 19 H 1S -0.01194 -0.00524 -0.02337 -0.01546 -0.04403 185 2S -0.01053 -0.01174 -0.03154 -0.02740 -0.04452 86 87 88 89 90 86 3PX 0.06116 87 3PY 0.01161 0.07789 88 3PZ -0.02324 -0.02571 0.08337 89 4XX -0.00226 -0.00318 0.00263 0.00101 90 4YY -0.00241 0.00066 -0.00254 -0.00006 0.00119 91 4ZZ 0.00073 0.00331 -0.00294 -0.00025 0.00009 92 4XY -0.00104 0.00150 0.00265 0.00002 -0.00020 93 4XZ 0.00321 0.00111 -0.00102 -0.00016 -0.00039 94 4YZ -0.00160 0.00058 0.00227 -0.00021 0.00007 95 7 C 1S 0.01164 -0.00441 0.00488 0.00091 -0.00187 96 2S -0.01986 0.02358 0.00130 -0.00278 0.00271 97 2PX 0.05176 -0.05495 -0.02706 0.00935 -0.00295 98 2PY -0.07142 -0.00045 -0.07528 0.00292 0.00948 99 2PZ -0.02254 -0.06013 -0.00489 0.00217 -0.00492 100 3S -0.01461 0.01322 0.00821 -0.00366 0.00163 101 3PX 0.00168 -0.00559 -0.02067 0.00232 0.00326 102 3PY 0.00848 -0.00196 -0.00663 0.00294 -0.00174 103 3PZ -0.00539 -0.01249 0.01448 -0.00061 -0.00342 104 4XX 0.00039 -0.00255 0.00177 0.00035 -0.00042 105 4YY -0.00201 -0.00213 0.00246 0.00017 0.00036 106 4ZZ 0.00482 0.00345 -0.00313 -0.00031 -0.00025 107 4XY -0.00016 0.00040 0.00481 0.00005 -0.00019 108 4XZ 0.00197 0.00010 0.00155 0.00012 -0.00024 109 4YZ 0.00153 0.00286 0.00058 -0.00044 -0.00004 110 8 C 1S -0.01604 0.01401 -0.00119 -0.00135 0.00067 111 2S 0.01322 -0.01526 -0.00076 0.00213 -0.00131 112 2PX -0.03706 0.04223 0.01096 -0.00417 0.00549 113 2PY 0.01440 -0.00667 0.00911 0.00122 -0.00090 114 2PZ 0.00757 0.02542 0.00049 -0.00317 0.00145 115 3S 0.02780 -0.02832 0.00537 0.00441 -0.00347 116 3PX -0.02614 0.02009 0.01112 -0.00334 0.00468 117 3PY 0.00072 -0.02290 -0.00230 0.00047 0.00057 118 3PZ 0.00365 0.01897 -0.01047 -0.00312 0.00064 119 4XX -0.00010 -0.00115 0.00131 -0.00017 -0.00023 120 4YY -0.00170 0.00136 -0.00128 -0.00002 0.00023 121 4ZZ 0.00045 0.00095 0.00018 -0.00003 0.00011 122 4XY 0.00159 0.00139 0.00181 -0.00030 -0.00006 123 4XZ 0.00262 0.00009 0.00046 0.00020 -0.00003 124 4YZ -0.00023 0.00167 0.00155 -0.00012 -0.00005 125 9 C 1S 0.00406 -0.00330 0.00138 0.00028 0.00003 126 2S -0.01021 0.00926 -0.00747 -0.00064 0.00040 127 2PX 0.00058 -0.00899 0.00147 0.00354 0.00033 128 2PY 0.01171 -0.00051 -0.00930 -0.00016 0.00108 129 2PZ 0.02005 -0.01557 0.00534 0.00023 0.00021 130 3S -0.01837 0.00903 -0.00906 -0.00080 0.00164 131 3PX -0.00190 -0.00981 0.00221 0.00300 0.00015 132 3PY -0.00016 -0.00993 -0.00301 0.00032 0.00121 133 3PZ 0.01231 -0.00569 0.00032 -0.00002 -0.00035 134 4XX 0.00024 -0.00018 0.00054 -0.00012 0.00004 135 4YY 0.00083 -0.00135 -0.00067 0.00006 -0.00004 136 4ZZ 0.00037 0.00087 -0.00015 0.00015 0.00000 137 4XY -0.00157 0.00142 -0.00031 -0.00018 0.00023 138 4XZ 0.00075 0.00018 0.00075 -0.00007 -0.00002 139 4YZ -0.00041 0.00179 0.00001 -0.00007 0.00000 140 10 H 1S 0.00659 -0.01446 -0.00932 0.00074 -0.00064 141 2S 0.00385 -0.02595 -0.00615 0.00112 -0.00032 142 11 H 1S -0.01753 0.02021 -0.00272 -0.00295 0.00533 143 2S -0.01587 0.02699 0.00235 -0.00264 0.00345 144 12 H 1S 0.00771 0.01731 0.01024 -0.00123 0.00086 145 2S 0.00776 0.02662 0.01478 -0.00118 0.00046 146 13 H 1S 0.00710 -0.00557 0.00291 0.00073 -0.00001 147 2S 0.00799 -0.00456 0.00520 0.00069 -0.00034 148 14 C 1S 0.00203 0.00140 0.00239 -0.00319 0.00332 149 2S -0.00861 -0.00104 -0.00794 0.00519 -0.00734 150 2PX 0.07619 0.02865 -0.05290 -0.00622 -0.00918 151 2PY 0.03947 0.04850 -0.05327 -0.00155 0.00375 152 2PZ -0.04254 -0.06644 0.11506 0.00866 -0.00513 153 3S 0.01661 -0.00556 0.00662 0.00641 -0.01126 154 3PX 0.05062 0.02362 -0.04034 -0.00407 -0.00426 155 3PY 0.03047 0.02845 -0.03852 -0.00267 0.00144 156 3PZ -0.03391 -0.04806 0.08167 0.00644 -0.00277 157 4XX 0.00409 0.00182 -0.00425 -0.00030 0.00000 158 4YY -0.00191 -0.00030 -0.00076 0.00014 0.00048 159 4ZZ -0.00223 -0.00108 0.00481 -0.00002 0.00001 160 4XY 0.00139 0.00381 -0.00046 -0.00042 -0.00016 161 4XZ -0.00065 -0.00076 0.00333 0.00008 -0.00046 162 4YZ -0.00009 0.00289 -0.00184 -0.00011 -0.00006 163 15 H 1S -0.01297 -0.00026 -0.00866 0.00425 0.00260 164 2S -0.00930 -0.01070 -0.01197 0.00270 0.00401 165 16 H 1S -0.01878 0.00817 -0.00935 -0.00001 -0.00086 166 2S -0.01261 0.01522 0.00049 -0.00179 0.00031 167 17 C 1S 0.00554 -0.00126 0.00302 0.00052 -0.00179 168 2S -0.01446 0.00321 -0.00694 -0.00088 0.00364 169 2PX -0.03579 0.01211 -0.00930 0.00308 0.00443 170 2PY 0.07761 -0.01720 0.04882 0.00482 -0.00565 171 2PZ 0.03272 0.01344 0.01742 -0.00415 -0.00679 172 3S -0.03203 0.00104 -0.02408 -0.00179 0.00736 173 3PX -0.01860 -0.00405 -0.00453 0.00292 0.00282 174 3PY 0.03069 -0.01146 0.02695 0.00301 -0.00290 175 3PZ 0.02060 0.00769 0.00040 -0.00318 -0.00433 176 4XX 0.00209 -0.00267 -0.00002 0.00033 -0.00012 177 4YY -0.00158 0.00159 0.00123 -0.00026 -0.00003 178 4ZZ 0.00243 0.00095 0.00061 0.00002 -0.00014 179 4XY 0.00130 0.00141 0.00275 -0.00013 -0.00023 180 4XZ 0.00201 -0.00087 0.00138 -0.00001 -0.00021 181 4YZ 0.00008 0.00304 0.00069 -0.00009 0.00022 182 18 H 1S 0.02842 0.01094 0.02519 0.00002 -0.00217 183 2S 0.02287 0.02062 0.02584 -0.00077 -0.00191 184 19 H 1S 0.02066 -0.01951 0.00335 0.00084 -0.00044 185 2S 0.02081 -0.02471 -0.00147 0.00192 -0.00137 91 92 93 94 95 91 4ZZ 0.00125 92 4XY 0.00020 0.00124 93 4XZ 0.00017 0.00024 0.00069 94 4YZ 0.00009 0.00045 -0.00004 0.00079 95 7 C 1S -0.00184 -0.00318 -0.00234 -0.00489 2.05313 96 2S 0.00262 0.00634 0.00414 0.00913 -0.06411 97 2PX -0.00419 0.00255 0.00334 -0.00648 0.00564 98 2PY -0.00561 -0.00453 -0.00613 -0.00515 -0.00659 99 2PZ 0.00799 -0.00899 -0.00163 -0.00334 -0.00090 100 3S 0.00440 0.00875 0.00359 0.00961 -0.15863 101 3PX -0.00328 0.00005 -0.00103 -0.00116 -0.01128 102 3PY -0.00338 -0.00006 0.00045 -0.00383 0.03229 103 3PZ 0.00446 -0.00484 -0.00064 -0.00080 0.01212 104 4XX 0.00010 -0.00003 0.00005 -0.00029 -0.01469 105 4YY -0.00061 -0.00006 -0.00028 0.00004 -0.01563 106 4ZZ 0.00024 -0.00027 0.00016 -0.00026 -0.01321 107 4XY -0.00040 0.00027 -0.00001 0.00013 0.00138 108 4XZ -0.00019 0.00032 0.00027 0.00008 -0.00219 109 4YZ 0.00013 -0.00012 0.00018 0.00039 -0.00250 110 8 C 1S -0.00031 -0.00047 -0.00093 0.00025 0.01260 111 2S 0.00065 0.00124 0.00159 -0.00051 -0.02027 112 2PX -0.00326 -0.00188 -0.00449 0.00052 0.05912 113 2PY -0.00013 0.00025 0.00094 -0.00079 -0.01947 114 2PZ -0.00057 -0.00263 -0.00339 0.00128 0.02658 115 3S 0.00081 0.00096 0.00373 -0.00283 -0.00395 116 3PX -0.00171 -0.00092 -0.00243 0.00099 0.01639 117 3PY -0.00122 -0.00036 0.00010 -0.00105 -0.00721 118 3PZ 0.00101 -0.00206 -0.00220 0.00140 0.00630 119 4XX 0.00040 -0.00003 0.00017 0.00019 -0.00427 120 4YY -0.00024 -0.00009 -0.00026 -0.00004 0.00205 121 4ZZ -0.00016 0.00014 0.00000 -0.00005 0.00115 122 4XY 0.00008 0.00000 0.00000 -0.00007 0.00324 123 4XZ -0.00019 0.00036 0.00019 0.00022 -0.00385 124 4YZ 0.00012 -0.00014 -0.00008 0.00011 0.00136 125 9 C 1S -0.00014 -0.00034 0.00021 0.00000 -0.00304 126 2S 0.00001 0.00074 -0.00065 0.00016 0.00440 127 2PX -0.00251 0.00008 -0.00093 0.00310 -0.00326 128 2PY -0.00061 -0.00108 0.00023 -0.00168 0.00796 129 2PZ -0.00026 -0.00096 0.00086 -0.00154 -0.00509 130 3S -0.00054 0.00134 -0.00123 0.00051 0.00926 131 3PX -0.00236 0.00042 -0.00072 0.00208 -0.00840 132 3PY -0.00186 -0.00030 -0.00020 -0.00135 0.00758 133 3PZ -0.00012 -0.00010 0.00071 -0.00108 -0.00537 134 4XX -0.00001 -0.00006 0.00000 -0.00005 -0.00027 135 4YY -0.00005 0.00005 -0.00014 0.00020 -0.00067 136 4ZZ -0.00002 -0.00004 0.00021 -0.00022 -0.00081 137 4XY -0.00011 -0.00004 -0.00014 -0.00005 0.00146 138 4XZ 0.00003 -0.00003 0.00013 -0.00020 0.00009 139 4YZ 0.00001 0.00000 -0.00006 0.00005 0.00027 140 10 H 1S -0.00050 0.00025 -0.00138 0.00142 -0.00083 141 2S -0.00117 -0.00029 -0.00181 0.00171 0.00028 142 11 H 1S 0.00152 0.00150 -0.00243 0.00475 -0.00596 143 2S 0.00239 0.00415 -0.00140 0.00494 -0.00900 144 12 H 1S -0.00073 -0.00039 -0.00122 0.00062 0.00954 145 2S -0.00051 0.00070 -0.00075 0.00129 0.01033 146 13 H 1S -0.00022 -0.00021 0.00082 -0.00082 -0.00383 147 2S 0.00042 -0.00064 0.00151 -0.00146 -0.00318 148 14 C 1S 0.00062 0.00042 -0.00376 0.00116 -0.00431 149 2S -0.00179 -0.00065 0.00696 -0.00263 0.00824 150 2PX 0.00102 -0.00060 0.00754 -0.00355 0.01175 151 2PY -0.00013 -0.01321 -0.00185 -0.00681 0.00663 152 2PZ -0.01299 -0.00088 -0.00409 -0.00082 0.00813 153 3S -0.00165 0.00060 0.00830 -0.00490 0.02177 154 3PX 0.00283 -0.00098 0.00416 -0.00265 0.01008 155 3PY 0.00185 -0.00571 0.00062 -0.00328 0.00125 156 3PZ -0.00781 0.00203 -0.00300 0.00060 0.00402 157 4XX -0.00007 -0.00043 0.00014 -0.00019 0.00054 158 4YY 0.00011 -0.00014 -0.00023 0.00001 -0.00007 159 4ZZ 0.00010 0.00053 -0.00014 0.00039 -0.00122 160 4XY 0.00052 0.00090 0.00033 0.00036 -0.00179 161 4XZ -0.00020 0.00037 0.00031 0.00019 -0.00042 162 4YZ 0.00043 0.00040 0.00032 0.00019 -0.00092 163 15 H 1S -0.00246 -0.00800 -0.00174 -0.00359 0.00623 164 2S -0.00241 -0.00796 -0.00334 -0.00265 0.00696 165 16 H 1S 0.00485 0.00729 0.00396 0.00367 -0.00909 166 2S 0.00476 0.00759 0.00242 0.00437 -0.01231 167 17 C 1S -0.00001 0.00054 0.00082 -0.00058 0.02135 168 2S -0.00003 -0.00095 -0.00152 0.00113 -0.04135 169 2PX -0.00675 0.00255 -0.00170 -0.00060 -0.03602 170 2PY -0.00513 0.00503 0.00243 -0.00352 0.07833 171 2PZ 0.00894 -0.00488 0.00216 -0.00032 0.01817 172 3S -0.00037 -0.00331 -0.00384 0.00121 -0.03162 173 3PX -0.00527 0.00154 -0.00135 -0.00074 -0.01128 174 3PY -0.00331 0.00452 0.00164 -0.00102 0.02246 175 3PZ 0.00689 -0.00346 0.00188 0.00013 0.00394 176 4XX -0.00020 0.00009 0.00007 -0.00022 0.00165 177 4YY 0.00031 0.00002 0.00003 0.00031 -0.00415 178 4ZZ -0.00010 0.00013 0.00010 -0.00010 0.00266 179 4XY 0.00005 -0.00001 0.00000 0.00001 0.00378 180 4XZ 0.00017 -0.00012 0.00003 -0.00005 0.00125 181 4YZ -0.00026 0.00029 0.00001 0.00012 -0.00151 182 18 H 1S -0.00022 0.00089 0.00081 -0.00063 0.01297 183 2S -0.00006 0.00137 0.00077 0.00001 0.01507 184 19 H 1S 0.00011 -0.00012 0.00019 -0.00046 0.01222 185 2S -0.00018 -0.00084 0.00054 -0.00133 0.01383 96 97 98 99 100 96 2S 0.33457 97 2PX -0.00749 0.38242 98 2PY 0.01330 -0.02001 0.42099 99 2PZ 0.00147 0.01646 0.02005 0.37319 100 3S 0.24259 -0.01761 -0.06175 -0.03152 0.24773 101 3PX 0.02438 0.08720 0.06125 -0.04235 0.02304 102 3PY -0.05641 0.05708 0.06891 -0.01743 -0.07185 103 3PZ -0.01652 -0.05107 -0.03509 0.16579 -0.02311 104 4XX -0.00750 0.00752 -0.00553 0.00740 -0.00561 105 4YY -0.00451 -0.00342 0.00624 -0.00765 -0.00354 106 4ZZ -0.01104 -0.00199 -0.00637 -0.00212 -0.00682 107 4XY -0.00383 -0.00286 -0.00589 -0.00893 -0.00076 108 4XZ 0.00429 0.00702 -0.00501 -0.00389 0.00340 109 4YZ 0.00564 -0.00973 -0.00598 -0.00203 0.00404 110 8 C 1S -0.02449 -0.05907 0.01690 -0.02540 0.01910 111 2S 0.03941 0.11683 -0.03316 0.04961 -0.00789 112 2PX -0.11820 -0.22043 0.09071 -0.14344 -0.10678 113 2PY 0.04170 0.09588 -0.01586 0.03809 0.02294 114 2PZ -0.05755 -0.12891 0.02051 -0.01924 -0.03989 115 3S 0.01125 0.17248 -0.04574 0.07489 -0.08581 116 3PX -0.03770 -0.13534 0.05744 -0.08439 -0.03212 117 3PY 0.01652 0.05347 0.02114 0.02056 0.02090 118 3PZ -0.01522 -0.08648 0.00781 0.01071 0.01687 119 4XX 0.00743 -0.00113 -0.00582 0.00931 0.00792 120 4YY -0.00412 -0.00545 0.00890 -0.00384 -0.00449 121 4ZZ -0.00255 -0.00030 0.00010 -0.00760 -0.00160 122 4XY -0.00645 -0.00515 -0.00715 -0.00494 -0.00426 123 4XZ 0.00750 0.01014 -0.00493 -0.00444 0.00599 124 4YZ -0.00250 -0.00536 -0.00387 0.00151 -0.00355 125 9 C 1S 0.00523 0.00632 -0.00737 0.00567 0.01070 126 2S -0.01158 -0.01279 0.02116 -0.01864 -0.01498 127 2PX 0.01614 0.00360 0.00058 0.00170 0.02138 128 2PY -0.02277 -0.02527 0.02185 -0.01249 -0.02681 129 2PZ 0.00798 0.02043 -0.01125 0.00636 0.03162 130 3S -0.00969 -0.01859 0.04027 -0.03098 0.00342 131 3PX 0.02050 0.02281 0.00671 0.00096 0.01483 132 3PY -0.01696 -0.00482 0.03223 -0.02820 -0.01184 133 3PZ 0.00250 0.01901 -0.00634 -0.00605 0.00566 134 4XX -0.00001 -0.00152 -0.00014 -0.00063 0.00051 135 4YY 0.00085 0.00186 -0.00116 0.00106 0.00028 136 4ZZ 0.00140 0.00332 0.00091 0.00007 0.00124 137 4XY -0.00328 -0.00610 0.00509 -0.00529 -0.00404 138 4XZ 0.00020 0.00197 -0.00142 0.00032 0.00012 139 4YZ -0.00060 -0.00259 0.00067 -0.00109 -0.00033 140 10 H 1S 0.00065 0.00048 -0.00247 0.00241 0.00861 141 2S -0.00317 -0.00179 0.00226 0.00548 0.00303 142 11 H 1S 0.01323 -0.01089 -0.02246 -0.02020 0.03514 143 2S 0.02065 -0.01973 -0.04298 -0.04413 0.03568 144 12 H 1S -0.02046 -0.02636 -0.00769 -0.02280 -0.03589 145 2S -0.02178 -0.03914 -0.02893 -0.04966 -0.02961 146 13 H 1S 0.00898 0.02050 -0.00450 0.00483 0.01967 147 2S 0.00990 0.02190 -0.01296 0.01972 0.01753 148 14 C 1S 0.00942 -0.01074 -0.00691 -0.01049 0.01293 149 2S -0.01835 0.02375 0.01566 0.02352 -0.02927 150 2PX -0.02622 0.01713 0.01603 0.03323 -0.04746 151 2PY -0.01360 -0.00035 0.00347 0.01233 -0.06296 152 2PZ -0.01823 0.03387 0.01810 0.01264 -0.04891 153 3S -0.04355 0.09135 -0.03032 0.04665 -0.05160 154 3PX -0.01955 0.02092 -0.01176 0.03207 -0.02845 155 3PY -0.00672 -0.00912 -0.01133 0.00366 -0.01967 156 3PZ -0.01015 0.03708 -0.00103 -0.00622 -0.01542 157 4XX -0.00082 0.00111 0.00113 -0.00104 -0.00264 158 4YY 0.00041 0.00029 0.00098 -0.00034 0.00086 159 4ZZ 0.00237 -0.00376 -0.00461 -0.00143 0.00456 160 4XY 0.00336 -0.00305 -0.00473 -0.00677 0.00660 161 4XZ 0.00087 -0.00210 -0.00285 -0.00218 0.00142 162 4YZ 0.00196 -0.00236 -0.00284 -0.00323 0.00399 163 15 H 1S -0.01227 0.01539 0.01456 0.01821 -0.03844 164 2S -0.01201 0.01539 0.02647 0.02940 -0.03839 165 16 H 1S 0.01885 -0.02015 -0.02084 -0.02480 0.05643 166 2S 0.02451 -0.03713 -0.03906 -0.04597 0.06367 167 17 C 1S -0.04312 0.03693 -0.07770 -0.01741 -0.00119 168 2S 0.07579 -0.06952 0.15155 0.03139 0.01439 169 2PX 0.07449 0.05042 0.19006 -0.08011 0.02765 170 2PY -0.15909 0.18439 -0.18858 -0.14850 -0.09150 171 2PZ -0.03618 -0.07559 -0.15259 0.17910 -0.02822 172 3S 0.07525 -0.10035 0.19318 0.02857 0.01757 173 3PX 0.02480 0.05699 0.10154 -0.06433 0.00496 174 3PY -0.05266 0.10212 -0.06743 -0.08422 -0.02627 175 3PZ -0.01052 -0.05385 -0.09504 0.13376 -0.01204 176 4XX -0.00417 0.01152 -0.00320 -0.00145 -0.00307 177 4YY 0.00705 -0.00834 -0.00181 0.00422 0.00554 178 4ZZ -0.00579 0.00350 -0.00685 -0.00658 -0.00318 179 4XY -0.00715 -0.00519 -0.00887 -0.00298 -0.00403 180 4XZ -0.00297 -0.00042 -0.00490 0.00443 -0.00270 181 4YZ 0.00280 -0.00284 0.00442 -0.01089 0.00140 182 18 H 1S -0.02882 0.00757 -0.03736 -0.01844 -0.03129 183 2S -0.03139 -0.01192 -0.06238 -0.04440 -0.01999 184 19 H 1S -0.02883 0.02689 -0.03304 -0.00027 -0.02079 185 2S -0.03103 0.06662 -0.04652 0.01989 -0.02109 101 102 103 104 105 101 3PX 0.06723 102 3PY 0.00240 0.06589 103 3PZ -0.03731 -0.01560 0.09904 104 4XX -0.00250 0.00237 0.00370 0.00140 105 4YY 0.00191 0.00149 -0.00351 -0.00042 0.00117 106 4ZZ -0.00232 0.00101 0.00058 0.00016 -0.00002 107 4XY -0.00067 0.00002 -0.00273 -0.00023 0.00027 108 4XZ 0.00102 0.00098 -0.00276 0.00007 -0.00015 109 4YZ -0.00256 -0.00305 0.00192 -0.00038 0.00000 110 8 C 1S 0.01414 -0.01686 0.00124 -0.00479 0.00208 111 2S 0.00263 0.01494 0.00583 0.00846 -0.00382 112 2PX -0.03700 0.01519 -0.01844 0.00046 0.00589 113 2PY 0.01818 -0.01270 0.00838 0.00666 -0.00881 114 2PZ -0.00990 -0.01628 -0.00612 -0.00852 0.00402 115 3S -0.03895 0.06770 0.02494 0.01753 -0.00617 116 3PX -0.00914 -0.00313 -0.00545 -0.00042 0.00378 117 3PY 0.01907 -0.01097 -0.01110 0.00120 -0.00308 118 3PZ 0.00947 -0.03195 0.00972 -0.00625 0.00077 119 4XX -0.00106 -0.00385 0.00540 0.00006 -0.00044 120 4YY 0.00066 0.00218 -0.00231 -0.00052 0.00056 121 4ZZ -0.00011 0.00063 -0.00317 0.00025 -0.00009 122 4XY -0.00267 -0.00166 -0.00108 0.00000 0.00002 123 4XZ 0.00363 -0.00052 -0.00407 -0.00018 -0.00009 124 4YZ -0.00291 -0.00094 0.00272 0.00032 -0.00020 125 9 C 1S 0.00574 -0.01011 0.00735 0.00066 -0.00135 126 2S -0.00353 0.01342 -0.01534 -0.00210 0.00274 127 2PX 0.01822 0.01429 0.01255 0.00214 0.00096 128 2PY 0.00235 0.01368 -0.01289 -0.00414 0.00538 129 2PZ 0.01761 -0.01343 0.00531 0.00123 -0.00334 130 3S 0.00333 0.00856 -0.02779 -0.00422 0.00341 131 3PX 0.01775 0.01104 0.00185 0.00104 0.00104 132 3PY 0.00941 0.00634 -0.02634 -0.00366 0.00366 133 3PZ 0.00623 -0.00279 -0.00436 0.00083 -0.00150 134 4XX 0.00012 -0.00140 0.00024 -0.00001 -0.00008 135 4YY 0.00022 -0.00051 -0.00071 -0.00002 0.00005 136 4ZZ 0.00154 0.00102 0.00032 0.00023 -0.00023 137 4XY -0.00109 0.00080 -0.00180 -0.00011 0.00028 138 4XZ 0.00055 -0.00048 0.00001 -0.00002 -0.00010 139 4YZ -0.00018 -0.00047 -0.00016 -0.00014 -0.00006 140 10 H 1S 0.00411 -0.00401 0.00022 -0.00058 0.00084 141 2S 0.00358 -0.00355 -0.00123 -0.00120 0.00211 142 11 H 1S -0.01605 -0.01434 -0.01770 0.00045 -0.00151 143 2S -0.02328 -0.01647 -0.02601 0.00002 -0.00112 144 12 H 1S -0.00913 -0.00415 -0.00605 0.00228 -0.00182 145 2S -0.01497 -0.00425 -0.01432 0.00003 -0.00026 146 13 H 1S 0.01208 0.00057 0.00484 0.00149 -0.00187 147 2S 0.00831 -0.00118 0.01506 0.00235 -0.00263 148 14 C 1S 0.00425 -0.00873 -0.00153 -0.00131 0.00079 149 2S -0.00953 0.02031 0.00408 0.00258 -0.00151 150 2PX -0.05394 0.08204 0.02168 0.00375 -0.00686 151 2PY 0.00416 -0.00005 0.01314 -0.00050 -0.00362 152 2PZ -0.01581 0.06144 0.00536 0.00503 0.00432 153 3S -0.01777 0.04619 0.01428 0.00632 -0.00379 154 3PX -0.02951 0.03578 0.01837 0.00293 -0.00522 155 3PY -0.00367 -0.00526 0.00663 -0.00057 -0.00287 156 3PZ -0.00123 0.03060 -0.00754 0.00330 0.00338 157 4XX 0.00012 0.00158 -0.00033 -0.00011 -0.00014 158 4YY 0.00254 -0.00327 -0.00082 -0.00016 0.00016 159 4ZZ -0.00115 -0.00199 0.00017 -0.00003 0.00014 160 4XY -0.00148 -0.00071 -0.00244 -0.00016 -0.00020 161 4XZ -0.00204 0.00102 -0.00039 0.00009 0.00005 162 4YZ -0.00013 -0.00245 -0.00134 -0.00014 -0.00014 163 15 H 1S 0.02146 -0.01707 0.00421 -0.00001 0.00066 164 2S 0.02147 -0.01420 0.00840 0.00003 0.00114 165 16 H 1S 0.00654 -0.03569 -0.01511 -0.00176 0.00035 166 2S -0.00091 -0.03557 -0.01951 -0.00201 0.00020 167 17 C 1S -0.00066 -0.00690 -0.00420 0.00177 -0.00352 168 2S -0.00158 0.02092 0.00845 -0.00416 0.00603 169 2PX 0.06704 0.03535 -0.06735 -0.01253 0.00859 170 2PY 0.01646 0.04893 -0.06689 0.00340 0.00533 171 2PZ -0.07512 -0.03174 0.12399 0.00028 -0.00366 172 3S 0.02114 -0.00788 0.00370 -0.00715 0.00730 173 3PX 0.04637 0.02240 -0.05449 -0.00596 0.00521 174 3PY 0.01086 0.03559 -0.04529 0.00139 0.00300 175 3PZ -0.05720 -0.02204 0.08636 0.00228 -0.00451 176 4XX 0.00180 0.00209 -0.00216 0.00063 -0.00016 177 4YY -0.00225 -0.00326 0.00323 -0.00031 -0.00010 178 4ZZ 0.00013 0.00086 -0.00239 0.00002 0.00008 179 4XY -0.00289 -0.00046 0.00120 -0.00017 0.00024 180 4XZ -0.00233 0.00035 0.00294 0.00027 0.00002 181 4YZ 0.00144 0.00143 -0.00474 -0.00068 0.00059 182 18 H 1S -0.01085 0.02025 0.00299 -0.00418 0.00567 183 2S -0.01166 0.00642 -0.00392 -0.00382 0.00389 184 19 H 1S -0.00743 0.00874 -0.00211 0.00646 -0.00097 185 2S 0.00042 0.00675 0.00143 0.00692 -0.00287 106 107 108 109 110 106 4ZZ 0.00112 107 4XY 0.00026 0.00101 108 4XZ 0.00004 0.00021 0.00072 109 4YZ 0.00020 0.00031 -0.00024 0.00108 110 8 C 1S 0.00079 0.00260 -0.00333 0.00197 2.05499 111 2S -0.00146 -0.00506 0.00630 -0.00421 -0.05254 112 2PX 0.00309 0.00566 -0.00711 0.00730 -0.00066 113 2PY 0.00007 0.00544 0.00407 0.00290 -0.00399 114 2PZ 0.00790 0.00554 0.00539 -0.00144 -0.00161 115 3S -0.00238 -0.00903 0.00535 -0.00420 -0.25629 116 3PX -0.00013 0.00262 -0.00428 0.00477 0.00414 117 3PY -0.00033 0.00329 0.00258 -0.00067 0.01775 118 3PZ 0.00443 0.00277 0.00239 -0.00037 0.02639 119 4XX -0.00022 -0.00008 -0.00006 0.00029 -0.01480 120 4YY 0.00018 0.00010 0.00000 -0.00021 -0.01621 121 4ZZ 0.00002 0.00024 -0.00017 0.00018 -0.01651 122 4XY 0.00043 0.00038 0.00020 -0.00005 -0.00079 123 4XZ 0.00000 0.00023 0.00069 -0.00006 -0.00155 124 4YZ 0.00026 0.00026 0.00003 0.00040 -0.00206 125 9 C 1S -0.00057 0.00052 -0.00012 0.00107 0.01272 126 2S 0.00061 -0.00116 0.00057 -0.00253 -0.02475 127 2PX -0.00058 -0.00048 -0.00183 0.00438 -0.00809 128 2PY 0.00109 -0.00504 0.00234 -0.00612 -0.06085 129 2PZ -0.00032 0.00161 -0.00068 0.00124 0.02485 130 3S 0.00039 0.00050 0.00012 -0.00272 0.03073 131 3PX -0.00103 -0.00018 -0.00050 0.00226 -0.00663 132 3PY 0.00024 -0.00013 0.00132 -0.00338 0.00020 133 3PZ -0.00019 0.00014 0.00017 -0.00023 -0.00942 134 4XX -0.00004 0.00013 -0.00007 0.00010 0.00161 135 4YY 0.00009 -0.00010 0.00034 -0.00020 -0.00534 136 4ZZ -0.00010 0.00001 -0.00019 0.00019 0.00215 137 4XY 0.00005 0.00011 -0.00016 0.00006 -0.00075 138 4XZ 0.00000 0.00009 0.00009 -0.00010 0.00103 139 4YZ 0.00019 0.00036 0.00005 0.00019 0.00341 140 10 H 1S -0.00003 -0.00104 -0.00013 -0.00011 -0.00805 141 2S -0.00047 -0.00149 -0.00022 -0.00056 -0.01370 142 11 H 1S 0.00041 0.00080 0.00078 -0.00030 -0.00109 143 2S 0.00040 0.00123 0.00055 0.00067 0.00075 144 12 H 1S 0.00391 0.00460 0.00475 0.00138 -0.05769 145 2S 0.00391 0.00527 0.00291 0.00278 -0.01743 146 13 H 1S -0.00056 0.00058 -0.00104 0.00125 0.01198 147 2S -0.00069 0.00031 -0.00124 0.00163 0.01697 148 14 C 1S -0.00071 -0.00057 -0.00111 0.00040 0.00160 149 2S 0.00145 0.00105 0.00217 -0.00074 -0.00391 150 2PX 0.00781 -0.00160 0.00318 0.00115 -0.00593 151 2PY 0.00558 -0.00225 -0.00034 0.00285 -0.00053 152 2PZ -0.00603 0.00698 0.00509 -0.00418 -0.00465 153 3S 0.00257 0.00117 0.00440 -0.00308 -0.01642 154 3PX 0.00502 -0.00266 0.00123 0.00024 -0.00637 155 3PY 0.00399 -0.00147 -0.00032 0.00198 -0.00014 156 3PZ -0.00505 0.00451 0.00342 -0.00400 -0.00531 157 4XX 0.00041 -0.00012 0.00003 0.00021 0.00015 158 4YY -0.00017 -0.00013 -0.00020 -0.00005 0.00001 159 4ZZ -0.00030 0.00024 0.00000 0.00003 0.00018 160 4XY 0.00014 0.00011 0.00011 0.00011 0.00031 161 4XZ -0.00005 0.00033 0.00022 0.00006 0.00024 162 4YZ 0.00012 -0.00003 -0.00002 0.00011 0.00028 163 15 H 1S -0.00008 -0.00059 -0.00059 0.00004 -0.00116 164 2S -0.00072 -0.00199 -0.00142 -0.00022 -0.00155 165 16 H 1S -0.00085 -0.00031 -0.00123 0.00032 0.00309 166 2S -0.00061 0.00050 -0.00075 0.00077 0.00442 167 17 C 1S 0.00252 0.00343 0.00156 -0.00123 -0.00408 168 2S -0.00554 -0.00648 -0.00340 0.00202 0.00746 169 2PX -0.00315 0.00709 0.00018 0.00278 0.01097 170 2PY 0.00641 0.00768 0.00532 -0.00253 -0.00825 171 2PZ 0.00705 0.00275 -0.00530 0.01196 0.00444 172 3S -0.00636 -0.00702 -0.00569 0.00190 0.02326 173 3PX -0.00207 0.00360 0.00133 -0.00108 0.00291 174 3PY 0.00153 0.00355 0.00367 -0.00243 -0.00802 175 3PZ 0.00394 -0.00079 -0.00364 0.00696 -0.00277 176 4XX -0.00005 -0.00023 0.00030 -0.00060 -0.00190 177 4YY -0.00008 0.00010 -0.00013 0.00051 0.00064 178 4ZZ 0.00039 0.00039 0.00012 0.00006 0.00010 179 4XY 0.00049 0.00060 -0.00016 0.00049 0.00145 180 4XZ 0.00010 -0.00020 -0.00004 0.00005 -0.00021 181 4YZ 0.00000 0.00043 -0.00003 0.00043 0.00149 182 18 H 1S 0.00287 0.00448 -0.00129 0.00614 0.00749 183 2S 0.00375 0.00604 -0.00042 0.00578 0.00846 184 19 H 1S -0.00148 -0.00628 0.00137 -0.00525 -0.00971 185 2S -0.00057 -0.00474 0.00234 -0.00556 -0.01427 111 112 113 114 115 111 2S 0.30371 112 2PX -0.00624 0.38999 113 2PY 0.00469 0.00482 0.40961 114 2PZ 0.01459 0.01721 0.00078 0.38943 115 3S 0.36162 0.03675 0.01640 -0.13474 0.65245 116 3PX 0.00417 0.23246 -0.00123 -0.00963 0.03491 117 3PY -0.01314 -0.02744 0.18541 0.03840 -0.07043 118 3PZ -0.01924 -0.01336 0.00607 0.22285 -0.16492 119 4XX -0.00582 -0.00706 0.00651 -0.00689 -0.00636 120 4YY -0.00225 0.00333 -0.00959 0.01238 -0.00625 121 4ZZ -0.00224 0.00915 0.00638 -0.00616 0.00257 122 4XY 0.00188 0.00485 0.00314 0.00989 0.00024 123 4XZ 0.00348 -0.01110 0.00879 0.00841 -0.00003 124 4YZ 0.00422 0.00997 0.01234 0.00491 0.00736 125 9 C 1S -0.02155 0.00583 0.06497 -0.02561 -0.00345 126 2S 0.04045 -0.01140 -0.13092 0.05434 0.00750 127 2PX 0.01820 0.04998 -0.03691 -0.01262 0.00850 128 2PY 0.12639 -0.03398 -0.27563 0.12193 0.10272 129 2PZ -0.04834 -0.01001 0.09805 -0.02136 -0.06083 130 3S -0.01855 -0.02741 -0.12867 0.05475 -0.10151 131 3PX 0.00964 0.01001 -0.01199 -0.00718 0.00267 132 3PY 0.01726 -0.02198 -0.09127 0.07311 -0.02625 133 3PZ -0.00170 -0.00682 0.03776 -0.01477 0.01154 134 4XX -0.00345 0.00213 0.00654 -0.00262 -0.00261 135 4YY 0.00984 -0.00221 -0.00235 0.00935 0.00871 136 4ZZ -0.00449 0.00032 0.00556 -0.00818 -0.00443 137 4XY 0.00090 0.01077 -0.00172 0.00092 0.00314 138 4XZ -0.00201 -0.00372 0.00348 0.00040 -0.00344 139 4YZ -0.00628 0.00148 0.01053 0.00535 -0.00960 140 10 H 1S 0.01890 -0.00394 -0.03810 0.01220 0.03315 141 2S 0.02628 -0.00729 -0.06534 0.02121 0.04085 142 11 H 1S 0.00431 -0.00361 -0.00450 0.00050 -0.00143 143 2S 0.00304 0.00718 -0.01369 -0.00918 0.01202 144 12 H 1S 0.11256 0.10150 0.17348 0.17116 0.09721 145 2S 0.03582 0.08089 0.12804 0.12795 0.02630 146 13 H 1S -0.02730 -0.00383 0.03584 -0.03312 -0.03845 147 2S -0.03149 -0.00382 0.05824 -0.05394 -0.02941 148 14 C 1S -0.00414 0.00850 -0.00170 0.00525 -0.01136 149 2S 0.00793 -0.01851 0.00395 -0.01125 0.02708 150 2PX 0.01129 -0.02692 0.00761 -0.01475 0.07570 151 2PY -0.00064 0.00119 -0.00022 -0.00028 0.01429 152 2PZ 0.01104 -0.01993 0.00483 -0.00995 0.03705 153 3S 0.02761 -0.07749 0.02019 -0.03386 0.07474 154 3PX 0.01167 -0.03054 0.00924 -0.01679 0.05435 155 3PY -0.00329 0.00183 0.00148 0.00239 0.00056 156 3PZ 0.00981 -0.02352 0.00541 -0.00487 0.01783 157 4XX -0.00017 -0.00019 -0.00025 0.00048 0.00068 158 4YY -0.00020 0.00067 -0.00027 0.00024 -0.00222 159 4ZZ -0.00070 0.00123 0.00019 0.00059 -0.00233 160 4XY -0.00083 0.00114 0.00010 0.00106 -0.00219 161 4XZ -0.00036 0.00069 0.00012 0.00039 0.00002 162 4YZ -0.00060 0.00091 -0.00013 0.00082 -0.00217 163 15 H 1S 0.00238 -0.00323 -0.00084 -0.00285 -0.00129 164 2S 0.00424 -0.00283 -0.00302 -0.00507 0.00649 165 16 H 1S -0.00614 0.01144 -0.00153 0.00693 -0.03173 166 2S -0.00989 0.02064 -0.00045 0.01535 -0.03727 167 17 C 1S 0.00985 -0.01288 0.01170 -0.00149 0.00998 168 2S -0.01904 0.02928 -0.02780 -0.00142 -0.01592 169 2PX -0.02353 0.02175 -0.03287 0.01519 -0.08404 170 2PY 0.02088 -0.04066 0.01027 -0.00463 0.03821 171 2PZ -0.01383 0.00687 0.00433 -0.02045 0.00229 172 3S -0.03724 0.05363 -0.04341 0.02003 -0.07712 173 3PX -0.00718 -0.00572 -0.01274 0.01878 -0.04500 174 3PY 0.01289 -0.03514 -0.00163 -0.00954 0.02549 175 3PZ -0.00301 -0.00287 0.01239 -0.03161 0.02998 176 4XX 0.00374 -0.00581 0.00454 -0.00333 0.00747 177 4YY -0.00149 0.00084 -0.00080 0.00088 -0.00341 178 4ZZ -0.00007 0.00159 -0.00075 0.00021 0.00070 179 4XY -0.00268 0.00650 -0.00368 0.00217 -0.00325 180 4XZ 0.00064 -0.00159 0.00089 0.00048 0.00237 181 4YZ -0.00284 0.00667 -0.00281 0.00116 -0.00495 182 18 H 1S -0.01695 0.02312 -0.02029 0.00240 -0.02251 183 2S -0.01610 0.03988 -0.01463 0.01777 -0.03077 184 19 H 1S 0.02065 -0.03332 0.02077 -0.00980 0.05440 185 2S 0.02923 -0.06319 0.04147 -0.01372 0.05895 116 117 118 119 120 116 3PX 0.16127 117 3PY -0.02396 0.12262 118 3PZ -0.01361 0.03585 0.16327 119 4XX -0.00280 0.00296 -0.00053 0.00120 120 4YY 0.00110 -0.00224 0.00597 -0.00051 0.00131 121 4ZZ 0.00502 0.00148 -0.00437 0.00001 -0.00031 122 4XY 0.00236 0.00176 0.00453 -0.00023 0.00010 123 4XZ -0.00683 0.00512 0.00400 -0.00016 0.00014 124 4YZ 0.00524 0.00311 0.00185 0.00000 -0.00014 125 9 C 1S 0.00632 0.01700 -0.00039 0.00282 -0.00606 126 2S -0.01125 -0.04041 0.00825 -0.00608 0.01111 127 2PX 0.02216 -0.02024 -0.00436 -0.00239 0.00202 128 2PY -0.01269 -0.12086 0.06075 -0.00770 0.00438 129 2PZ 0.00533 0.04215 -0.00366 0.00380 -0.00970 130 3S -0.02710 -0.01596 0.02407 -0.00444 0.01066 131 3PX -0.00060 -0.00370 -0.00527 -0.00177 0.00255 132 3PY -0.01601 -0.01852 0.03917 -0.00358 0.00306 133 3PZ 0.00213 0.01054 -0.01116 0.00076 -0.00397 134 4XX 0.00217 0.00222 -0.00017 0.00035 -0.00056 135 4YY -0.00174 -0.00059 0.00540 -0.00026 0.00018 136 4ZZ 0.00008 0.00247 -0.00449 0.00016 -0.00030 137 4XY 0.00668 -0.00158 -0.00084 -0.00031 0.00023 138 4XZ -0.00162 0.00240 -0.00009 0.00009 -0.00002 139 4YZ -0.00028 0.00568 0.00375 0.00011 0.00026 140 10 H 1S 0.00061 -0.02721 0.01638 -0.00011 -0.00153 141 2S -0.00112 -0.03690 0.01537 -0.00094 -0.00078 142 11 H 1S -0.00624 0.00216 0.00088 -0.00029 0.00040 143 2S -0.00372 -0.01088 -0.01441 -0.00112 0.00057 144 12 H 1S 0.05145 0.07672 0.07998 -0.00408 0.00166 145 2S 0.03402 0.05016 0.05309 -0.00341 0.00178 146 13 H 1S 0.00166 0.01927 -0.02155 0.00096 -0.00231 147 2S 0.00317 0.02401 -0.02813 0.00265 -0.00461 148 14 C 1S 0.00772 -0.00396 0.00325 0.00000 -0.00008 149 2S -0.01807 0.00685 -0.00848 0.00000 -0.00001 150 2PX -0.03958 0.00167 -0.01224 0.00063 -0.00084 151 2PY -0.00557 -0.00275 0.00460 0.00005 -0.00028 152 2PZ -0.02359 0.01840 -0.02747 -0.00061 0.00115 153 3S -0.06046 0.00966 -0.02771 0.00058 -0.00215 154 3PX -0.03056 -0.00170 -0.01080 0.00078 -0.00150 155 3PY -0.00018 0.00132 0.00769 0.00064 -0.00081 156 3PZ -0.01969 0.01288 -0.01691 -0.00076 0.00048 157 4XX -0.00075 -0.00007 0.00057 -0.00006 0.00005 158 4YY 0.00127 -0.00001 0.00044 -0.00005 0.00003 159 4ZZ 0.00133 -0.00026 0.00024 0.00011 -0.00007 160 4XY 0.00067 -0.00092 0.00088 0.00002 -0.00007 161 4XZ 0.00019 0.00018 -0.00022 0.00004 -0.00003 162 4YZ 0.00082 -0.00071 0.00108 0.00002 -0.00004 163 15 H 1S 0.00034 0.00396 0.00007 -0.00033 0.00034 164 2S 0.00077 0.00217 -0.00242 -0.00045 0.00058 165 16 H 1S 0.01584 -0.00570 0.01037 0.00015 -0.00031 166 2S 0.02003 -0.00606 0.01374 0.00013 -0.00044 167 17 C 1S -0.00867 0.00555 0.00148 -0.00014 -0.00106 168 2S 0.01913 -0.01257 -0.00557 0.00020 0.00228 169 2PX 0.02442 0.00470 0.00336 -0.00363 0.00619 170 2PY -0.05007 0.00065 -0.03054 -0.00541 -0.00154 171 2PZ 0.00050 -0.02545 -0.00045 0.00723 -0.00434 172 3S 0.04256 -0.00912 0.02041 -0.00024 0.00369 173 3PX -0.00205 0.01282 0.00472 -0.00321 0.00385 174 3PY -0.03385 0.00049 -0.02284 -0.00288 -0.00025 175 3PZ -0.00580 -0.01534 -0.01278 0.00515 -0.00377 176 4XX -0.00422 0.00228 -0.00293 -0.00014 -0.00023 177 4YY 0.00145 -0.00103 0.00152 0.00035 -0.00007 178 4ZZ 0.00036 -0.00098 -0.00076 -0.00022 -0.00001 179 4XY 0.00329 -0.00282 0.00071 -0.00008 0.00006 180 4XZ -0.00181 -0.00024 -0.00006 0.00011 -0.00014 181 4YZ 0.00423 -0.00157 -0.00025 -0.00028 0.00027 182 18 H 1S 0.00590 -0.01845 -0.00930 -0.00053 0.00049 183 2S 0.01927 -0.01631 0.00364 -0.00072 0.00046 184 19 H 1S -0.02961 0.00830 -0.01139 -0.00047 -0.00199 185 2S -0.04773 0.02172 -0.01089 0.00016 -0.00246 121 122 123 124 125 121 4ZZ 0.00095 122 4XY 0.00014 0.00104 123 4XZ -0.00027 -0.00002 0.00139 124 4YZ 0.00012 0.00040 0.00011 0.00122 125 9 C 1S 0.00158 -0.00068 0.00028 0.00379 2.05359 126 2S -0.00359 0.00132 -0.00047 -0.00702 -0.06288 127 2PX -0.00073 -0.01199 0.00501 -0.00059 0.00109 128 2PY -0.00441 0.00142 -0.00218 -0.00778 0.00554 129 2PZ 0.00936 -0.00099 -0.00130 -0.00689 -0.00175 130 3S -0.00375 -0.00031 -0.00027 -0.00895 -0.16833 131 3PX -0.00168 -0.00777 0.00499 0.00001 -0.00270 132 3PY -0.00156 0.00177 0.00009 -0.00423 -0.00495 133 3PZ 0.00433 0.00136 -0.00103 -0.00275 -0.00130 134 4XX 0.00033 0.00022 -0.00023 0.00023 -0.01209 135 4YY -0.00032 0.00015 0.00040 0.00027 -0.01576 136 4ZZ 0.00040 -0.00045 0.00002 -0.00029 -0.01980 137 4XY 0.00022 0.00037 -0.00044 0.00024 -0.00105 138 4XZ 0.00008 0.00028 0.00006 -0.00026 -0.00331 139 4YZ -0.00012 0.00019 0.00037 0.00057 0.00094 140 10 H 1S 0.00018 -0.00140 -0.00039 -0.00125 0.01336 141 2S -0.00048 -0.00153 -0.00060 -0.00187 0.01591 142 11 H 1S 0.00079 0.00025 0.00006 0.00022 -0.00803 143 2S 0.00107 0.00096 0.00050 0.00104 -0.01085 144 12 H 1S 0.00179 0.00797 0.00636 0.01199 0.00895 145 2S 0.00180 0.00655 0.00538 0.00951 0.00681 146 13 H 1S 0.00462 -0.00289 -0.00014 -0.00615 -0.06256 147 2S 0.00431 -0.00295 -0.00044 -0.00354 -0.01604 148 14 C 1S 0.00011 0.00046 0.00050 0.00038 0.00021 149 2S -0.00038 -0.00099 -0.00083 -0.00080 -0.00040 150 2PX 0.00014 -0.00020 -0.00230 -0.00102 -0.00067 151 2PY 0.00005 0.00018 -0.00125 0.00034 -0.00013 152 2PZ -0.00082 -0.00200 0.00091 -0.00130 -0.00218 153 3S -0.00042 -0.00046 0.00038 -0.00187 0.00197 154 3PX 0.00009 0.00048 -0.00122 -0.00036 0.00018 155 3PY 0.00039 0.00096 -0.00110 -0.00002 0.00204 156 3PZ -0.00026 -0.00094 0.00178 -0.00117 -0.00049 157 4XX 0.00000 -0.00001 0.00000 -0.00003 -0.00010 158 4YY 0.00000 -0.00001 0.00005 0.00002 0.00000 159 4ZZ 0.00004 0.00013 0.00005 0.00009 0.00014 160 4XY 0.00015 0.00023 0.00012 0.00002 0.00001 161 4XZ 0.00005 0.00009 0.00002 0.00001 0.00004 162 4YZ 0.00006 0.00013 0.00005 0.00005 0.00000 163 15 H 1S -0.00055 -0.00086 -0.00016 0.00004 -0.00013 164 2S -0.00086 -0.00139 -0.00020 0.00024 -0.00100 165 16 H 1S 0.00050 0.00107 0.00053 0.00049 0.00087 166 2S 0.00106 0.00213 0.00079 0.00080 0.00091 167 17 C 1S 0.00058 0.00153 0.00113 0.00064 0.00136 168 2S -0.00098 -0.00324 -0.00230 -0.00121 -0.00308 169 2PX -0.00049 -0.00540 0.00199 -0.00468 -0.00847 170 2PY 0.00291 0.00584 0.00617 -0.00065 -0.00143 171 2PZ -0.00203 0.00028 -0.00546 0.00495 0.00770 172 3S -0.00106 -0.00283 -0.00359 -0.00177 -0.00090 173 3PX -0.00029 -0.00209 0.00260 -0.00298 -0.00642 174 3PY 0.00112 0.00167 0.00379 -0.00156 -0.00391 175 3PZ -0.00106 -0.00042 -0.00379 0.00351 0.00418 176 4XX 0.00010 0.00006 0.00034 -0.00006 0.00046 177 4YY -0.00011 -0.00006 -0.00014 0.00011 0.00017 178 4ZZ 0.00016 0.00024 0.00010 0.00003 -0.00006 179 4XY 0.00010 0.00030 -0.00025 0.00021 -0.00024 180 4XZ -0.00006 0.00013 -0.00003 0.00015 0.00018 181 4YZ 0.00019 0.00001 0.00003 -0.00008 -0.00030 182 18 H 1S 0.00031 0.00062 -0.00034 0.00042 -0.00153 183 2S 0.00092 0.00210 -0.00016 0.00124 -0.00005 184 19 H 1S 0.00048 0.00196 0.00136 0.00035 0.00209 185 2S -0.00010 0.00115 0.00264 0.00034 0.00312 126 127 128 129 130 126 2S 0.32521 127 2PX -0.00409 0.35702 128 2PY -0.00597 0.01365 0.39978 129 2PZ 0.00164 0.02912 0.00749 0.41332 130 3S 0.26535 0.01527 -0.00436 0.01105 0.26520 131 3PX 0.00815 0.21837 -0.01891 -0.02433 0.01774 132 3PY 0.00984 -0.02159 0.13716 0.00979 0.02186 133 3PZ 0.01749 -0.03547 0.00572 0.15712 0.00314 134 4XX -0.01367 -0.00749 -0.00043 0.00348 -0.01059 135 4YY -0.00557 0.00127 0.00960 -0.00896 -0.00506 136 4ZZ 0.00234 0.00895 -0.00750 0.01338 0.00413 137 4XY 0.00249 -0.00692 -0.00025 -0.00333 0.00078 138 4XZ 0.00712 -0.00646 -0.00392 0.00738 0.00582 139 4YZ -0.00159 -0.00163 -0.01348 -0.00873 -0.00102 140 10 H 1S -0.02768 0.01601 0.04012 0.01285 -0.04315 141 2S -0.02868 0.02304 0.08001 0.01561 -0.03937 142 11 H 1S 0.01719 -0.01381 -0.01704 -0.01941 0.05092 143 2S 0.02305 -0.01974 -0.02563 -0.04221 0.04485 144 12 H 1S -0.01849 -0.01080 -0.03592 -0.00933 -0.04685 145 2S -0.01454 -0.01451 -0.05635 -0.01969 -0.03077 146 13 H 1S 0.12018 0.07763 -0.05003 0.24670 0.10924 147 2S 0.03397 0.06659 -0.04663 0.20028 0.03545 148 14 C 1S -0.00022 0.00271 -0.00179 -0.00053 -0.00262 149 2S 0.00019 -0.00483 0.00357 0.00142 0.00316 150 2PX 0.00116 -0.02952 0.00793 0.00704 -0.00299 151 2PY 0.00099 -0.01515 0.00213 0.00397 0.00162 152 2PZ 0.00218 0.02349 -0.00403 -0.01162 0.01639 153 3S -0.00748 -0.01993 0.01008 0.01701 -0.00734 154 3PX -0.00126 -0.02643 0.00247 0.00773 -0.00694 155 3PY -0.00346 -0.01859 0.00580 0.01422 -0.00307 156 3PZ -0.00039 0.01717 0.00013 -0.00358 0.00961 157 4XX 0.00033 -0.00040 0.00025 -0.00030 0.00010 158 4YY 0.00004 0.00062 -0.00006 -0.00008 0.00011 159 4ZZ -0.00043 0.00019 -0.00061 0.00031 -0.00035 160 4XY 0.00000 -0.00187 0.00032 0.00063 -0.00011 161 4XZ -0.00012 -0.00043 -0.00004 0.00023 0.00015 162 4YZ 0.00005 -0.00089 -0.00004 0.00012 -0.00005 163 15 H 1S 0.00042 0.00718 -0.00163 -0.00252 0.00315 164 2S 0.00223 0.01542 -0.00573 -0.00984 0.00167 165 16 H 1S -0.00136 -0.00332 0.00017 0.00278 -0.00425 166 2S -0.00137 -0.00962 -0.00040 0.00513 -0.00213 167 17 C 1S -0.00321 -0.00207 -0.00596 0.00282 -0.00389 168 2S 0.00715 0.00525 0.01359 -0.00676 0.00942 169 2PX 0.02093 -0.00056 0.03573 -0.01248 0.04983 170 2PY 0.00230 -0.01367 0.00652 0.00434 0.00340 171 2PZ -0.02166 0.01646 -0.03575 0.01037 -0.02915 172 3S 0.00792 -0.00512 0.02776 -0.00382 0.01515 173 3PX 0.01529 -0.00872 0.02143 -0.01361 0.03256 174 3PY 0.00649 -0.00467 0.00865 -0.00291 0.01025 175 3PZ -0.01540 0.01657 -0.03679 0.00762 -0.02580 176 4XX -0.00077 -0.00020 -0.00195 0.00082 -0.00159 177 4YY -0.00042 -0.00023 -0.00032 0.00023 -0.00033 178 4ZZ 0.00023 -0.00059 0.00056 -0.00004 0.00010 179 4XY 0.00031 0.00021 0.00095 -0.00068 0.00048 180 4XZ -0.00062 0.00001 -0.00066 0.00014 -0.00132 181 4YZ 0.00102 -0.00040 0.00135 -0.00047 0.00209 182 18 H 1S 0.00207 -0.00003 0.00592 -0.00175 0.00842 183 2S 0.00069 -0.00597 0.00577 -0.00079 0.00616 184 19 H 1S -0.00470 -0.00245 -0.00902 0.00427 -0.01706 185 2S -0.00759 0.00141 -0.02138 0.00513 -0.01765 131 132 133 134 135 131 3PX 0.14396 132 3PY -0.01977 0.06654 133 3PZ -0.03719 0.00572 0.07245 134 4XX -0.00558 -0.00002 0.00167 0.00094 135 4YY 0.00133 0.00302 -0.00343 0.00019 0.00139 136 4ZZ 0.00478 -0.00271 0.00406 -0.00003 -0.00080 137 4XY -0.00445 0.00035 -0.00003 0.00010 0.00003 138 4XZ -0.00398 -0.00013 0.00396 -0.00008 -0.00052 139 4YZ 0.00094 -0.00360 -0.00380 0.00001 0.00000 140 10 H 1S 0.00788 0.01162 0.00710 0.00067 0.00913 141 2S 0.00928 0.02518 0.00744 0.00067 0.00838 142 11 H 1S -0.01198 -0.01413 -0.01759 -0.00065 0.00065 143 2S -0.01107 -0.01747 -0.02108 -0.00099 0.00070 144 12 H 1S -0.00459 -0.01112 0.00137 0.00077 0.00599 145 2S -0.00400 -0.01578 -0.00474 0.00056 0.00275 146 13 H 1S 0.03028 -0.01464 0.09118 -0.00406 -0.00946 147 2S 0.02434 -0.01806 0.06939 -0.00093 -0.00814 148 14 C 1S 0.00209 -0.00109 0.00028 0.00013 0.00019 149 2S -0.00355 0.00190 0.00048 -0.00026 -0.00049 150 2PX -0.02650 -0.00418 0.00998 -0.00010 -0.00134 151 2PY -0.01350 -0.00657 0.00087 0.00024 -0.00044 152 2PZ 0.02580 0.01236 -0.01037 -0.00083 0.00077 153 3S -0.01274 0.00144 0.01067 -0.00019 -0.00100 154 3PX -0.02206 -0.00768 0.00860 0.00007 -0.00106 155 3PY -0.01760 -0.00115 0.00668 0.00066 -0.00051 156 3PZ 0.01904 0.01043 -0.00466 -0.00054 0.00094 157 4XX -0.00035 -0.00009 0.00013 0.00000 0.00003 158 4YY 0.00057 0.00009 -0.00024 0.00000 0.00003 159 4ZZ 0.00009 -0.00010 -0.00001 0.00004 -0.00002 160 4XY -0.00172 -0.00003 0.00071 0.00004 -0.00008 161 4XZ -0.00033 0.00028 0.00014 0.00003 -0.00003 162 4YZ -0.00093 -0.00036 0.00019 0.00002 -0.00003 163 15 H 1S 0.00714 -0.00056 -0.00462 -0.00012 0.00043 164 2S 0.01394 -0.00343 -0.00741 -0.00042 0.00085 165 16 H 1S -0.00443 -0.00083 0.00256 0.00027 -0.00023 166 2S -0.00962 -0.00057 0.00373 0.00052 -0.00022 167 17 C 1S -0.00165 -0.00344 0.00072 0.00003 0.00035 168 2S 0.00373 0.00699 -0.00316 -0.00010 -0.00067 169 2PX 0.00949 0.03991 -0.00798 -0.00015 0.00018 170 2PY -0.00446 0.01504 0.00980 -0.00058 0.00105 171 2PZ -0.00328 -0.04178 -0.00575 0.00060 -0.00181 172 3S -0.00299 0.01886 -0.00260 0.00078 -0.00046 173 3PX 0.00391 0.02918 -0.00527 -0.00035 0.00090 174 3PY 0.00141 0.01239 0.00299 -0.00077 0.00062 175 3PZ 0.00177 -0.03686 -0.00232 0.00010 -0.00148 176 4XX 0.00052 -0.00057 0.00093 -0.00004 0.00006 177 4YY -0.00051 -0.00085 -0.00024 0.00006 -0.00004 178 4ZZ -0.00052 0.00034 0.00028 0.00000 0.00000 179 4XY -0.00063 0.00005 -0.00056 0.00003 -0.00006 180 4XZ -0.00019 -0.00088 0.00007 -0.00001 0.00002 181 4YZ -0.00031 0.00147 -0.00011 0.00004 -0.00008 182 18 H 1S -0.00254 0.00389 -0.00216 0.00010 -0.00059 183 2S -0.00796 0.00314 -0.00144 0.00048 -0.00038 184 19 H 1S -0.00017 -0.00662 0.00695 -0.00037 0.00053 185 2S 0.00524 -0.01033 0.00560 -0.00060 0.00083 136 137 138 139 140 136 4ZZ 0.00147 137 4XY -0.00032 0.00060 138 4XZ 0.00041 0.00001 0.00063 139 4YZ -0.00010 0.00007 0.00003 0.00097 140 10 H 1S -0.00594 0.00204 -0.00301 -0.00039 0.21477 141 2S -0.00617 0.00112 -0.00374 -0.00279 0.15787 142 11 H 1S -0.00237 0.00021 -0.00105 0.00012 -0.01923 143 2S -0.00294 0.00098 -0.00133 0.00055 -0.01724 144 12 H 1S -0.00323 0.00288 -0.00010 0.00545 -0.00969 145 2S -0.00196 0.00230 0.00017 0.00587 -0.01922 146 13 H 1S 0.01304 -0.00261 0.00690 -0.00454 -0.02099 147 2S 0.01132 -0.00295 0.00477 -0.00331 -0.02403 148 14 C 1S -0.00037 0.00020 -0.00005 0.00013 0.00145 149 2S 0.00082 -0.00045 0.00016 -0.00027 -0.00327 150 2PX 0.00147 -0.00050 0.00054 -0.00023 -0.00892 151 2PY 0.00028 0.00050 0.00031 -0.00007 -0.00253 152 2PZ -0.00074 -0.00091 -0.00053 -0.00041 0.00224 153 3S 0.00202 -0.00240 0.00153 -0.00106 -0.01043 154 3PX 0.00111 -0.00074 0.00083 -0.00032 -0.00995 155 3PY 0.00030 0.00029 0.00054 -0.00027 -0.00250 156 3PZ -0.00060 -0.00101 -0.00026 -0.00038 0.00381 157 4XX -0.00001 0.00002 -0.00002 0.00001 0.00031 158 4YY -0.00003 0.00003 -0.00001 -0.00001 0.00013 159 4ZZ -0.00002 -0.00001 0.00003 0.00003 -0.00031 160 4XY 0.00006 0.00003 0.00006 0.00007 -0.00075 161 4XZ 0.00000 0.00001 0.00002 0.00001 -0.00029 162 4YZ 0.00002 0.00003 0.00001 0.00005 -0.00034 163 15 H 1S -0.00028 0.00005 -0.00019 -0.00024 0.00357 164 2S -0.00067 0.00001 -0.00063 -0.00022 0.00688 165 16 H 1S 0.00020 0.00023 0.00017 0.00035 -0.00184 166 2S -0.00017 0.00051 0.00028 0.00052 -0.00383 167 17 C 1S 0.00007 -0.00071 0.00040 0.00006 -0.00088 168 2S -0.00003 0.00160 -0.00085 -0.00034 0.00234 169 2PX -0.00047 0.00291 -0.00063 -0.00022 0.00357 170 2PY -0.00054 -0.00141 0.00145 -0.00037 0.00077 171 2PZ 0.00070 -0.00163 -0.00016 0.00005 -0.00276 172 3S -0.00074 0.00277 -0.00075 -0.00041 0.00625 173 3PX -0.00087 0.00135 -0.00016 0.00017 0.00207 174 3PY -0.00020 -0.00089 0.00053 -0.00040 0.00057 175 3PZ 0.00117 -0.00150 -0.00024 0.00002 -0.00337 176 4XX 0.00010 -0.00020 0.00009 -0.00002 -0.00021 177 4YY -0.00004 0.00001 -0.00002 0.00002 0.00000 178 4ZZ -0.00003 0.00005 0.00003 -0.00001 0.00003 179 4XY -0.00011 0.00015 -0.00004 0.00001 0.00012 180 4XZ -0.00003 -0.00011 0.00002 0.00001 0.00002 181 4YZ -0.00003 0.00029 -0.00003 0.00002 -0.00009 182 18 H 1S -0.00039 0.00080 -0.00005 -0.00016 0.00055 183 2S -0.00075 0.00123 0.00006 0.00025 -0.00088 184 19 H 1S 0.00026 -0.00154 0.00049 -0.00005 -0.00041 185 2S 0.00062 -0.00256 0.00067 0.00030 -0.00176 141 142 143 144 145 141 2S 0.13375 142 11 H 1S -0.01994 0.21858 143 2S -0.01667 0.16489 0.14610 144 12 H 1S -0.01544 0.00300 0.00241 0.21175 145 2S -0.02378 0.00801 0.01691 0.14753 0.12155 146 13 H 1S -0.02276 -0.01037 -0.02120 -0.02171 -0.02063 147 2S -0.02639 -0.01803 -0.02815 -0.02074 -0.01888 148 14 C 1S 0.00318 0.00667 0.00481 0.00337 0.00571 149 2S -0.00635 -0.01537 -0.01184 -0.00722 -0.01117 150 2PX -0.01940 -0.01706 -0.03124 -0.00932 -0.01599 151 2PY -0.00594 0.01352 -0.00048 -0.00080 -0.00381 152 2PZ 0.00883 -0.00029 -0.01720 -0.00618 -0.01153 153 3S -0.01685 -0.02576 -0.02356 -0.01641 -0.01899 154 3PX -0.01665 -0.00163 -0.00915 -0.00722 -0.00947 155 3PY -0.00512 0.00291 -0.00296 0.00003 -0.00271 156 3PZ 0.00857 0.00479 -0.00221 -0.00282 -0.00449 157 4XX 0.00018 -0.00025 -0.00104 -0.00006 -0.00021 158 4YY 0.00051 0.00099 0.00133 0.00015 0.00025 159 4ZZ -0.00025 0.00033 0.00119 0.00067 0.00119 160 4XY -0.00154 0.00013 0.00181 0.00095 0.00185 161 4XZ -0.00044 -0.00031 0.00009 0.00038 0.00056 162 4YZ -0.00076 0.00068 0.00202 0.00061 0.00114 163 15 H 1S 0.00667 0.00580 0.00106 -0.00260 -0.00573 164 2S 0.01212 0.00884 0.00041 -0.00389 -0.00778 165 16 H 1S -0.00362 -0.00326 0.01628 0.00555 0.01093 166 2S -0.00600 0.01096 0.02742 0.01190 0.01858 167 17 C 1S -0.00247 0.00325 0.00597 0.00703 0.00468 168 2S 0.00556 -0.00669 -0.01087 -0.01633 -0.01145 169 2PX 0.00851 -0.00242 -0.00261 -0.01618 -0.00779 170 2PY -0.00013 0.00971 0.01968 0.01411 0.03635 171 2PZ -0.00757 0.00255 0.00552 -0.00723 0.00670 172 3S 0.01269 -0.01565 -0.02094 -0.01792 -0.01715 173 3PX 0.00651 -0.00031 -0.00062 -0.00359 -0.00087 174 3PY 0.00060 0.00759 0.01233 -0.00218 0.01012 175 3PZ -0.00723 0.00333 0.00526 -0.00800 -0.00088 176 4XX -0.00031 -0.00039 -0.00067 0.00059 -0.00017 177 4YY -0.00010 0.00062 0.00096 -0.00029 0.00009 178 4ZZ -0.00008 0.00060 0.00121 0.00067 0.00154 179 4XY 0.00016 0.00081 0.00161 0.00055 0.00213 180 4XZ -0.00001 -0.00005 -0.00018 0.00063 0.00081 181 4YZ -0.00012 0.00085 0.00167 0.00023 0.00177 182 18 H 1S 0.00052 0.00562 0.01152 -0.00302 0.01770 183 2S -0.00244 0.01069 0.01795 0.01094 0.02681 184 19 H 1S -0.00073 -0.00294 -0.00604 0.00596 0.00054 185 2S -0.00272 -0.00366 -0.00839 0.00803 -0.00104 146 147 148 149 150 146 13 H 1S 0.21423 147 2S 0.15560 0.12852 148 14 C 1S -0.00094 -0.00216 2.05330 149 2S 0.00231 0.00480 -0.06269 0.31898 150 2PX 0.00359 0.00842 -0.00172 0.00053 0.40447 151 2PY 0.00075 0.00235 0.00026 0.00085 -0.01941 152 2PZ -0.00266 -0.00587 -0.00084 -0.00170 0.03328 153 3S 0.01014 0.01671 -0.17405 0.28935 0.07278 154 3PX 0.00376 0.00837 0.00346 -0.01015 0.20372 155 3PY 0.00395 0.00583 -0.00062 0.00176 0.01890 156 3PZ -0.00074 -0.00391 0.00120 -0.00595 -0.02118 157 4XX -0.00024 -0.00037 -0.01778 -0.00254 0.01004 158 4YY -0.00004 -0.00016 -0.01938 -0.00005 -0.01494 159 4ZZ 0.00010 0.00016 -0.01546 -0.00805 -0.00371 160 4XY 0.00013 0.00021 0.00228 -0.00488 0.00704 161 4XZ 0.00004 0.00006 -0.00360 0.00804 0.00465 162 4YZ -0.00005 0.00000 -0.00405 0.00839 -0.00429 163 15 H 1S -0.00070 -0.00124 -0.05966 0.11675 -0.15610 164 2S -0.00333 -0.00481 -0.01153 0.03272 -0.12247 165 16 H 1S 0.00064 0.00128 -0.06042 0.11794 -0.08308 166 2S -0.00006 -0.00041 -0.01367 0.03590 -0.05957 167 17 C 1S 0.00121 0.00232 -0.00199 0.00397 0.00117 168 2S -0.00253 -0.00433 0.00392 -0.00828 -0.00065 169 2PX -0.00794 -0.01887 -0.00383 0.01015 -0.03975 170 2PY 0.00039 -0.00356 -0.00403 0.00666 -0.01163 171 2PZ 0.00972 0.02224 -0.00385 0.00941 0.04242 172 3S -0.00661 -0.01006 0.01170 -0.02354 -0.06579 173 3PX -0.00972 -0.01725 -0.00383 0.00742 -0.03694 174 3PY -0.00076 -0.00419 -0.00161 0.00278 0.01466 175 3PZ 0.01038 0.01937 -0.00292 0.00601 0.04840 176 4XX 0.00066 0.00076 -0.00031 0.00045 0.00076 177 4YY -0.00007 0.00013 0.00020 -0.00052 -0.00098 178 4ZZ -0.00016 -0.00031 -0.00016 0.00012 0.00035 179 4XY -0.00053 -0.00052 -0.00005 0.00000 -0.00102 180 4XZ 0.00001 0.00035 -0.00010 0.00015 0.00095 181 4YZ -0.00039 -0.00098 0.00018 -0.00040 -0.00199 182 18 H 1S -0.00123 -0.00202 -0.00161 0.00356 -0.00293 183 2S -0.00339 -0.00420 -0.00116 0.00276 -0.01177 184 19 H 1S 0.00289 0.00465 0.00208 -0.00607 0.00785 185 2S 0.00503 0.00748 -0.00420 0.00577 0.00930 151 152 153 154 155 151 2PY 0.40023 152 2PZ 0.02808 0.37139 153 3S -0.00542 0.04609 0.31573 154 3PX 0.01560 -0.02209 0.03201 0.11443 155 3PY 0.17723 -0.02831 -0.00053 0.02550 0.08818 156 3PZ -0.03271 0.21677 0.02298 -0.03461 -0.04195 157 4XX 0.00870 -0.00167 -0.00067 0.00567 0.00476 158 4YY 0.00393 -0.00609 -0.00224 -0.00670 0.00126 159 4ZZ -0.01108 0.00213 -0.00620 -0.00258 -0.00532 160 4XY -0.01411 -0.00917 -0.00338 0.00385 -0.00448 161 4XZ -0.00876 0.00491 0.00859 0.00080 -0.00394 162 4YZ -0.00538 -0.01180 0.00600 -0.00151 -0.00123 163 15 H 1S 0.21429 0.02448 0.07953 -0.07164 0.08183 164 2S 0.17840 0.02454 0.00387 -0.05377 0.06610 165 16 H 1S -0.18727 -0.16753 0.08010 -0.04154 -0.07060 166 2S -0.16197 -0.13479 0.01155 -0.02805 -0.05996 167 17 C 1S 0.00493 0.00438 0.01033 -0.00122 0.00449 168 2S -0.01276 -0.00815 -0.02076 0.00246 -0.00964 169 2PX -0.00577 0.05033 -0.01828 -0.05656 -0.01643 170 2PY -0.02035 0.04839 0.07426 0.00247 -0.01256 171 2PZ 0.05535 -0.05886 0.02558 0.03381 0.03954 172 3S -0.00500 -0.05293 -0.06691 -0.03191 -0.00623 173 3PX -0.00689 0.04017 -0.00592 -0.03775 -0.01381 174 3PY -0.04049 0.04662 0.04026 0.00621 -0.02180 175 3PZ 0.03440 -0.05036 0.01644 0.03752 0.02709 176 4XX -0.00138 0.00223 0.00337 0.00143 -0.00096 177 4YY 0.00016 -0.00132 -0.00211 -0.00095 0.00035 178 4ZZ 0.00093 -0.00053 0.00133 0.00025 0.00067 179 4XY 0.00129 0.00005 0.00020 -0.00089 0.00086 180 4XZ 0.00052 -0.00010 0.00205 0.00170 0.00037 181 4YZ 0.00050 0.00000 -0.00172 -0.00213 0.00006 182 18 H 1S 0.00913 0.00290 0.02071 -0.00284 0.00431 183 2S 0.01763 0.00033 0.01217 -0.00928 0.00961 184 19 H 1S -0.01422 0.00028 0.01648 0.02407 -0.00636 185 2S 0.00481 0.01172 0.03027 0.02172 0.00087 156 157 158 159 160 156 3PZ 0.14040 157 4XX -0.00332 0.00079 158 4YY -0.00255 -0.00007 0.00086 159 4ZZ 0.00323 -0.00024 0.00012 0.00085 160 4XY -0.00398 -0.00015 -0.00033 0.00052 0.00126 161 4XZ 0.00341 -0.00018 -0.00033 0.00014 0.00025 162 4YZ -0.00586 -0.00024 0.00025 -0.00001 0.00044 163 15 H 1S 0.00162 0.00042 0.00768 -0.00734 -0.01326 164 2S 0.00303 0.00124 0.00611 -0.00539 -0.01135 165 16 H 1S -0.06876 -0.00609 0.00370 0.00271 0.00782 166 2S -0.05252 -0.00500 0.00220 0.00428 0.00886 167 17 C 1S 0.00245 0.00007 -0.00031 0.00000 0.00016 168 2S -0.00433 -0.00024 0.00040 -0.00022 -0.00040 169 2PX 0.02390 0.00003 0.00066 -0.00072 -0.00147 170 2PY 0.05348 -0.00035 -0.00075 0.00082 0.00183 171 2PZ -0.05982 0.00160 -0.00124 -0.00006 -0.00054 172 3S -0.02975 -0.00058 0.00353 -0.00041 -0.00190 173 3PX 0.02656 -0.00026 0.00094 -0.00059 -0.00154 174 3PY 0.04266 -0.00063 -0.00160 0.00112 0.00215 175 3PZ -0.04721 0.00143 -0.00118 -0.00042 -0.00004 176 4XX 0.00261 -0.00002 -0.00001 -0.00007 -0.00007 177 4YY -0.00151 -0.00006 -0.00001 0.00016 0.00011 178 4ZZ -0.00016 0.00007 -0.00003 -0.00001 0.00012 179 4XY -0.00042 0.00000 -0.00003 0.00011 0.00007 180 4XZ 0.00021 -0.00001 -0.00003 0.00001 -0.00004 181 4YZ -0.00007 0.00003 0.00002 0.00005 0.00018 182 18 H 1S 0.00010 0.00034 -0.00044 0.00043 0.00063 183 2S -0.00226 0.00020 -0.00023 0.00074 0.00116 184 19 H 1S 0.01471 -0.00046 0.00014 -0.00007 0.00015 185 2S 0.01723 0.00003 0.00017 -0.00098 -0.00131 161 162 163 164 165 161 4XZ 0.00062 162 4YZ 0.00020 0.00078 163 15 H 1S -0.00329 0.00067 0.21527 164 2S -0.00470 -0.00197 0.15686 0.13144 165 16 H 1S 0.00451 0.01164 -0.03500 -0.06009 0.21440 166 2S 0.00298 0.00851 -0.06181 -0.06778 0.15751 167 17 C 1S 0.00027 0.00004 0.00201 -0.00457 -0.00150 168 2S -0.00051 -0.00018 -0.00587 0.00675 0.00327 169 2PX 0.00003 -0.00161 0.01325 -0.00248 -0.00846 170 2PY 0.00180 0.00004 -0.00509 -0.01699 -0.00012 171 2PZ -0.00048 0.00052 0.00771 -0.00368 -0.00558 172 3S -0.00253 0.00047 0.01689 0.03069 0.02102 173 3PX -0.00007 -0.00111 0.01471 0.00715 -0.00534 174 3PY 0.00194 -0.00029 -0.02507 -0.02681 0.00103 175 3PZ -0.00046 0.00052 -0.00204 -0.00345 -0.00299 176 4XX -0.00002 -0.00007 -0.00009 0.00056 -0.00056 177 4YY 0.00006 0.00008 -0.00037 -0.00080 0.00084 178 4ZZ 0.00003 0.00005 -0.00002 -0.00075 0.00009 179 4XY 0.00009 0.00005 0.00036 -0.00077 0.00009 180 4XZ 0.00000 -0.00001 0.00017 0.00049 -0.00034 181 4YZ 0.00007 0.00009 0.00006 -0.00093 0.00059 182 18 H 1S 0.00062 0.00015 0.00151 -0.00905 -0.00049 183 2S 0.00080 0.00068 0.00600 -0.00893 0.00099 184 19 H 1S -0.00012 0.00019 -0.00560 0.00872 0.00161 185 2S -0.00043 -0.00044 0.00915 0.01743 -0.00913 166 167 168 169 170 166 2S 0.13098 167 17 C 1S -0.00100 2.05321 168 2S 0.00222 -0.06287 0.32022 169 2PX -0.01841 -0.00074 0.00102 0.39795 170 2PY 0.00716 0.00123 0.00190 -0.02057 0.40625 171 2PZ -0.00956 0.00022 -0.00131 0.03112 0.02732 172 3S 0.01384 -0.17032 0.28183 0.02847 -0.06412 173 3PX -0.01121 0.00344 -0.00777 0.18821 0.01363 174 3PY 0.00615 -0.00367 0.01222 0.00729 0.18994 175 3PZ -0.00542 -0.00104 0.00247 -0.03835 -0.01959 176 4XX -0.00065 -0.01835 -0.00194 -0.01051 0.00856 177 4YY 0.00106 -0.01857 -0.00097 0.00433 -0.00825 178 4ZZ 0.00039 -0.01572 -0.00763 0.00223 0.00929 179 4XY 0.00055 0.00174 -0.00414 0.00459 0.00805 180 4XZ -0.00016 -0.00473 0.00976 -0.00955 0.00793 181 4YZ 0.00105 -0.00339 0.00740 0.01407 0.00637 182 18 H 1S 0.00043 -0.06054 0.11858 0.11221 0.17036 183 2S 0.00496 -0.01393 0.03664 0.10204 0.13231 184 19 H 1S 0.00664 -0.05995 0.11723 -0.22695 0.07861 185 2S -0.00811 -0.01168 0.03264 -0.18574 0.05770 171 172 173 174 175 171 2PZ 0.37150 172 3S -0.02536 0.29714 173 3PX -0.03844 0.00905 0.10154 174 3PY -0.02034 -0.02802 0.01810 0.09954 175 3PZ 0.21061 -0.01505 -0.05184 -0.02886 0.13447 176 4XX -0.00980 -0.00261 -0.00283 0.00458 -0.00458 177 4YY 0.00856 0.00103 0.00010 -0.00431 0.00492 178 4ZZ 0.00238 -0.00700 0.00136 0.00389 0.00011 179 4XY 0.01269 -0.00472 0.00078 0.00242 0.00550 180 4XZ 0.00472 0.00652 -0.00493 0.00321 0.00348 181 4YZ 0.00273 0.00659 0.00623 0.00351 -0.00118 182 18 H 1S 0.16906 0.07853 0.03673 0.07438 0.06651 183 2S 0.14174 0.01291 0.03406 0.05393 0.05265 184 19 H 1S -0.11478 0.08413 -0.08985 0.04109 -0.03903 185 2S -0.09781 0.01009 -0.06936 0.02904 -0.03241 176 177 178 179 180 176 4XX 0.00106 177 4YY -0.00043 0.00074 178 4ZZ 0.00023 0.00006 0.00062 179 4XY -0.00044 0.00024 0.00044 0.00090 180 4XZ 0.00027 -0.00015 -0.00010 0.00004 0.00076 181 4YZ -0.00047 0.00015 0.00018 0.00043 -0.00002 182 18 H 1S -0.00440 0.00171 0.00311 0.00880 0.00604 183 2S -0.00476 0.00221 0.00403 0.00892 0.00261 184 19 H 1S 0.01030 -0.00659 -0.00296 -0.00683 0.00911 185 2S 0.00947 -0.00586 -0.00170 -0.00605 0.00557 181 182 183 184 185 181 4YZ 0.00105 182 18 H 1S 0.01105 0.21476 183 2S 0.00890 0.15789 0.13173 184 19 H 1S -0.00525 -0.03490 -0.06215 0.21544 185 2S -0.00688 -0.06019 -0.06863 0.15685 0.13149 Full Mulliken population analysis: 1 2 3 4 5 1 1 S 1S 2.15421 2 2S -0.15813 2.35892 3 2PX 0.00000 0.00000 2.07475 4 2PY 0.00000 0.00000 0.00000 2.05267 5 2PZ 0.00000 0.00000 0.00000 0.00000 2.05103 6 3S 0.00041 -0.13998 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.07149 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 -0.05033 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.05023 10 4S 0.00196 -0.06222 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.00690 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 -0.00276 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00351 14 5XX 0.00006 -0.00379 0.00000 0.00000 0.00000 15 5YY 0.00006 -0.00276 0.00000 0.00000 0.00000 16 5ZZ 0.00006 -0.00425 0.00000 0.00000 0.00000 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00000 0.00001 0.00000 -0.00024 -0.00007 22 2PX 0.00000 0.00002 -0.00007 -0.00002 0.00000 23 2PY 0.00001 -0.00076 -0.00002 -0.00129 -0.00085 24 2PZ 0.00000 -0.00018 0.00000 -0.00082 0.00003 25 3S -0.00013 0.00472 -0.00002 -0.00013 -0.00032 26 3PX -0.00001 0.00029 -0.00033 -0.00009 0.00000 27 3PY 0.00017 -0.00497 -0.00009 -0.00326 -0.00320 28 3PZ 0.00002 -0.00049 0.00000 -0.00305 -0.00003 29 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 30 4YY 0.00001 -0.00054 -0.00001 -0.00023 -0.00034 31 4ZZ 0.00000 -0.00003 0.00000 -0.00011 0.00001 32 4XY 0.00000 0.00000 -0.00010 0.00000 0.00000 33 4XZ 0.00000 0.00000 -0.00003 0.00000 0.00000 34 4YZ 0.00000 -0.00031 0.00000 -0.00045 0.00000 35 3 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 0.00001 -0.00001 -0.00001 -0.00001 37 2PX 0.00000 0.00000 -0.00002 -0.00005 -0.00003 38 2PY 0.00000 -0.00005 -0.00007 -0.00007 -0.00007 39 2PZ 0.00000 -0.00001 -0.00005 -0.00006 -0.00001 40 3S -0.00006 0.00271 -0.00063 0.00037 -0.00023 41 3PX -0.00002 0.00085 -0.00010 -0.00046 -0.00040 42 3PY 0.00005 -0.00162 -0.00098 -0.00062 -0.00117 43 3PZ 0.00001 -0.00003 -0.00091 -0.00095 -0.00007 44 4XX 0.00000 -0.00002 0.00001 -0.00001 0.00001 45 4YY 0.00000 -0.00004 -0.00002 -0.00001 -0.00003 46 4ZZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 47 4XY 0.00000 -0.00004 0.00000 -0.00003 -0.00002 48 4XZ 0.00000 -0.00002 0.00000 -0.00002 0.00000 49 4YZ 0.00000 -0.00004 -0.00005 -0.00004 -0.00001 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 -0.00002 0.00000 0.00002 0.00000 56 3PX 0.00000 0.00006 0.00002 -0.00001 0.00003 57 3PY 0.00000 -0.00004 -0.00002 0.00002 0.00000 58 3PZ 0.00000 0.00000 0.00002 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00000 0.00004 0.00007 -0.00002 0.00000 71 3PX 0.00000 -0.00003 0.00011 0.00005 0.00000 72 3PY -0.00001 0.00017 0.00009 0.00001 0.00000 73 3PZ 0.00000 0.00004 -0.00001 0.00000 0.00001 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00000 -0.00001 0.00003 0.00000 0.00000 86 3PX 0.00000 -0.00007 0.00004 0.00000 0.00000 87 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S 0.00000 0.00004 0.00012 0.00001 0.00002 101 3PX -0.00001 0.00017 0.00032 0.00003 0.00010 102 3PY 0.00000 0.00005 0.00001 0.00001 0.00001 103 3PZ 0.00000 0.00009 -0.00005 -0.00001 0.00000 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00003 -0.00004 0.00000 -0.00005 112 2PX 0.00000 -0.00008 -0.00018 -0.00001 -0.00031 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 -0.00018 -0.00035 -0.00001 -0.00036 115 3S 0.00001 0.00031 -0.00138 -0.00006 -0.00079 116 3PX -0.00003 0.00083 -0.00016 -0.00004 -0.00090 117 3PY 0.00000 -0.00012 -0.00007 -0.00017 -0.00004 118 3PZ 0.00001 0.00014 -0.00207 -0.00008 -0.00081 119 4XX 0.00000 -0.00001 0.00001 0.00000 -0.00001 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 -0.00001 -0.00002 0.00000 -0.00001 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 -0.00003 -0.00002 0.00000 -0.00004 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S -0.00001 0.00019 0.00006 -0.00001 0.00005 131 3PX -0.00001 0.00020 -0.00001 0.00001 0.00008 132 3PY 0.00000 0.00010 0.00004 0.00000 0.00005 133 3PZ -0.00001 0.00036 0.00013 -0.00006 0.00006 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00016 -0.00001 0.00001 0.00013 146 13 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 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 1.32782 7 3PX 0.00000 0.77087 8 3PY 0.00000 0.00000 0.58465 9 3PZ 0.00000 0.00000 0.00000 0.58485 10 4S 0.38236 0.00000 0.00000 0.00000 0.52122 11 4PX 0.00000 0.14443 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.04753 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.05987 0.00000 14 5XX -0.01543 0.00000 0.00000 0.00000 0.00949 15 5YY -0.02207 0.00000 0.00000 0.00000 -0.03038 16 5ZZ -0.00990 0.00000 0.00000 0.00000 0.00250 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 O 1S 0.00041 -0.00001 -0.00096 -0.00032 0.00117 21 2S -0.00734 0.00022 0.01610 0.00482 -0.02049 22 2PX -0.00039 0.00691 0.00084 0.00006 -0.00116 23 2PY 0.02786 0.00097 0.04746 0.03926 -0.01136 24 2PZ 0.00624 0.00000 0.03789 -0.00001 -0.00333 25 3S -0.07293 0.00041 -0.02338 -0.00316 -0.05825 26 3PX -0.00155 0.00472 0.00159 0.00002 -0.00392 27 3PY 0.03796 0.00174 0.03454 0.04992 -0.03353 28 3PZ 0.00340 -0.00004 0.04833 0.00283 -0.01072 29 4XX -0.00018 0.00000 -0.00054 -0.00029 0.00085 30 4YY 0.00687 0.00019 0.00445 0.00667 -0.00126 31 4ZZ 0.00074 0.00001 0.00399 -0.00060 -0.00008 32 4XY -0.00001 0.00224 0.00003 0.00000 -0.00004 33 4XZ 0.00000 0.00073 0.00002 0.00000 -0.00001 34 4YZ 0.00215 0.00005 0.00410 -0.00001 -0.00021 35 3 O 1S 0.00019 -0.00021 -0.00001 -0.00010 0.00138 36 2S -0.00405 0.00297 0.00061 0.00125 -0.01843 37 2PX -0.00041 0.00152 0.00677 0.00416 -0.00672 38 2PY 0.00463 0.00969 0.00759 0.01014 0.00199 39 2PZ 0.00248 0.00714 0.00955 0.00078 -0.00662 40 3S -0.04213 0.01505 -0.01875 0.00330 -0.10611 41 3PX -0.00752 -0.00179 0.00718 0.00630 -0.02402 42 3PY 0.01042 0.01855 0.00740 0.02197 0.00341 43 3PZ 0.00283 0.01842 0.01808 -0.00271 -0.02833 44 4XX 0.00072 -0.00077 0.00048 -0.00022 0.00350 45 4YY 0.00116 0.00100 0.00037 0.00111 0.00173 46 4ZZ 0.00062 0.00067 0.00150 -0.00003 -0.00047 47 4XY 0.00055 -0.00005 0.00030 0.00039 -0.00007 48 4XZ 0.00030 0.00000 0.00049 0.00001 0.00000 49 4YZ 0.00072 0.00146 0.00063 0.00010 -0.00020 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 51 2S -0.00001 -0.00003 -0.00003 -0.00001 0.00059 52 2PX -0.00008 -0.00011 0.00005 -0.00013 0.00009 53 2PY 0.00001 -0.00001 -0.00004 0.00000 0.00010 54 2PZ -0.00002 -0.00006 -0.00002 -0.00001 0.00043 55 3S -0.00019 -0.00118 -0.00090 -0.00031 0.00327 56 3PX -0.00178 -0.00108 0.00059 -0.00194 -0.00103 57 3PY 0.00011 -0.00045 -0.00058 -0.00020 -0.00081 58 3PZ -0.00021 -0.00092 -0.00008 -0.00001 0.00233 59 4XX 0.00000 0.00000 0.00000 0.00000 -0.00002 60 4YY 0.00000 0.00000 0.00000 0.00000 -0.00002 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00006 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 66 2S 0.00006 -0.00040 -0.00004 0.00000 0.00127 67 2PX 0.00005 -0.00099 -0.00039 -0.00006 0.00247 68 2PY -0.00014 -0.00068 -0.00014 -0.00004 -0.00039 69 2PZ -0.00002 0.00002 -0.00003 -0.00001 -0.00010 70 3S 0.00142 -0.00061 0.00104 -0.00016 0.00351 71 3PX 0.00148 -0.00326 -0.00161 -0.00029 0.00716 72 3PY -0.00098 -0.00122 0.00013 -0.00035 -0.00074 73 3PZ -0.00039 0.00076 -0.00004 -0.00006 -0.00117 74 4XX -0.00002 0.00001 -0.00001 -0.00001 -0.00040 75 4YY 0.00001 0.00004 0.00003 0.00001 0.00004 76 4ZZ 0.00000 -0.00002 -0.00001 0.00000 0.00030 77 4XY 0.00002 0.00011 0.00002 0.00000 -0.00001 78 4XZ 0.00000 0.00001 0.00002 -0.00002 -0.00001 79 4YZ 0.00000 0.00001 0.00000 0.00000 -0.00001 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00004 81 2S -0.00002 -0.00007 0.00000 0.00000 -0.00059 82 2PX -0.00005 -0.00022 0.00000 0.00000 -0.00011 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00015 84 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 85 3S -0.00004 -0.00222 -0.00005 0.00001 0.00028 86 3PX -0.00021 -0.00288 -0.00022 0.00014 0.00091 87 3PY 0.00012 -0.00002 -0.00027 0.00000 0.00062 88 3PZ 0.00002 -0.00001 0.00000 -0.00004 -0.00005 89 4XX 0.00000 0.00000 0.00000 0.00000 -0.00005 90 4YY 0.00000 0.00000 0.00000 0.00000 -0.00006 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 96 2S -0.00007 -0.00047 -0.00003 -0.00010 -0.00020 97 2PX -0.00032 -0.00112 -0.00007 -0.00046 0.00061 98 2PY 0.00001 -0.00010 0.00001 -0.00002 0.00034 99 2PZ -0.00010 0.00010 0.00002 0.00000 -0.00059 100 3S 0.00125 -0.00497 -0.00070 -0.00026 0.01278 101 3PX -0.00031 -0.01022 -0.00134 -0.00153 0.01490 102 3PY 0.00008 -0.00032 0.00018 0.00031 0.00207 103 3PZ -0.00147 0.00121 0.00011 0.00045 -0.00276 104 4XX 0.00000 0.00021 0.00002 0.00005 -0.00023 105 4YY 0.00000 -0.00002 0.00000 0.00000 -0.00011 106 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00008 107 4XY 0.00000 0.00002 0.00000 0.00001 -0.00002 108 4XZ 0.00001 0.00011 0.00001 0.00000 -0.00003 109 4YZ 0.00000 0.00001 0.00000 0.00000 -0.00001 110 8 C 1S 0.00004 -0.00039 -0.00001 -0.00036 0.00166 111 2S -0.00207 0.00605 0.00018 0.00671 -0.01215 112 2PX 0.00246 0.00857 0.00058 0.02063 -0.00663 113 2PY 0.00001 0.00025 0.00053 0.00031 -0.00032 114 2PZ 0.00626 0.02421 0.00065 0.02042 -0.00523 115 3S -0.01778 0.03529 0.00189 0.00946 -0.10992 116 3PX -0.00126 0.00178 0.00086 0.02686 -0.01260 117 3PY 0.00032 0.00114 0.00186 0.00007 -0.00176 118 3PZ -0.00660 0.04150 0.00213 0.01159 -0.05158 119 4XX 0.00065 -0.00050 -0.00003 0.00091 0.00177 120 4YY -0.00031 -0.00027 0.00000 -0.00048 -0.00029 121 4ZZ 0.00045 0.00190 0.00005 0.00049 -0.00062 122 4XY 0.00001 0.00000 0.00014 0.00001 0.00000 123 4XZ 0.00128 0.00064 0.00002 0.00172 0.00016 124 4YZ 0.00001 0.00004 0.00019 0.00002 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00010 126 2S -0.00013 -0.00005 -0.00005 -0.00032 -0.00111 127 2PX -0.00031 0.00002 -0.00004 -0.00021 -0.00079 128 2PY -0.00010 -0.00017 0.00001 -0.00022 -0.00063 129 2PZ -0.00035 -0.00014 0.00004 -0.00041 -0.00158 130 3S -0.00150 -0.00159 0.00044 -0.00038 0.00315 131 3PX -0.00428 -0.00009 -0.00030 -0.00337 -0.00373 132 3PY -0.00087 -0.00160 -0.00007 -0.00133 0.00007 133 3PZ -0.00330 -0.00247 0.00161 -0.00026 -0.00016 134 4XX 0.00001 0.00000 0.00000 0.00003 0.00013 135 4YY -0.00001 -0.00001 0.00000 -0.00003 -0.00006 136 4ZZ 0.00001 0.00004 0.00000 0.00003 0.00007 137 4XY 0.00000 0.00002 0.00000 0.00004 -0.00004 138 4XZ 0.00001 0.00001 0.00002 0.00002 -0.00002 139 4YZ 0.00000 0.00004 0.00000 0.00006 -0.00005 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 141 2S -0.00001 0.00000 0.00001 0.00000 -0.00044 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 143 2S -0.00001 0.00064 0.00027 0.00010 -0.00188 144 12 H 1S -0.00023 -0.00009 0.00000 -0.00058 -0.00140 145 2S -0.00315 -0.00021 -0.00009 -0.00642 -0.00839 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00008 147 2S 0.00009 0.00007 -0.00003 0.00043 0.00077 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00001 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 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 0.00000 0.00001 0.00012 154 3PX 0.00001 0.00008 0.00000 0.00000 0.00006 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 156 3PZ 0.00000 -0.00001 0.00000 -0.00001 -0.00002 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00001 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 -0.00013 169 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00003 170 2PY 0.00000 0.00001 0.00000 0.00000 -0.00009 171 2PZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 172 3S -0.00003 0.00012 0.00001 0.00008 -0.00009 173 3PX -0.00014 -0.00069 -0.00018 -0.00018 0.00002 174 3PY 0.00002 0.00044 0.00003 0.00014 -0.00019 175 3PZ -0.00004 -0.00054 -0.00008 0.00000 0.00049 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00001 0.00000 0.00001 0.00011 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00002 0.00000 0.00000 0.00007 11 12 13 14 15 11 4PX 0.08606 12 4PY 0.00000 0.07301 13 4PZ 0.00000 0.00000 0.05614 14 5XX 0.00000 0.00000 0.00000 0.01015 15 5YY 0.00000 0.00000 0.00000 -0.00296 0.02916 16 5ZZ 0.00000 0.00000 0.00000 0.00073 -0.00588 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 O 1S 0.00001 0.00049 0.00010 0.00000 -0.00039 21 2S -0.00009 -0.00646 -0.00137 -0.00053 0.00646 22 2PX 0.01096 0.00076 0.00021 0.00003 0.00011 23 2PY 0.00022 -0.00082 0.00654 -0.00106 -0.00060 24 2PZ -0.00002 0.00540 0.00797 -0.00042 0.01570 25 3S -0.00017 -0.02660 -0.00607 -0.00306 0.01408 26 3PX 0.02483 0.00185 0.00051 -0.00001 0.00016 27 3PY 0.00052 0.00059 0.01390 -0.00503 -0.00246 28 3PZ -0.00005 0.01103 0.02622 -0.00238 0.02321 29 4XX 0.00000 0.00074 0.00019 0.00008 -0.00026 30 4YY 0.00005 -0.00077 0.00217 -0.00015 -0.00084 31 4ZZ 0.00000 0.00265 -0.00110 -0.00001 0.00105 32 4XY 0.00078 0.00000 0.00001 0.00001 0.00001 33 4XZ 0.00025 0.00001 0.00000 0.00000 0.00001 34 4YZ 0.00000 0.00003 0.00031 -0.00014 0.00134 35 3 O 1S 0.00029 0.00063 -0.00010 0.00001 -0.00003 36 2S -0.00432 -0.00708 0.00078 -0.00018 0.00081 37 2PX -0.00059 0.00277 0.00078 -0.00030 0.00283 38 2PY 0.00126 -0.00098 0.00077 0.00153 -0.00103 39 2PZ 0.00098 0.00207 0.00160 0.00014 0.00274 40 3S -0.00945 -0.03773 0.00197 -0.00216 0.00793 41 3PX -0.00204 0.00524 0.00089 -0.00174 0.00884 42 3PY 0.00176 0.00445 0.00116 0.00564 -0.00216 43 3PZ 0.00230 0.00268 0.00576 0.00014 0.00923 44 4XX -0.00048 0.00116 -0.00012 0.00001 -0.00027 45 4YY 0.00068 -0.00018 0.00049 0.00011 -0.00021 46 4ZZ 0.00034 0.00123 -0.00028 0.00002 0.00016 47 4XY 0.00005 0.00001 0.00002 -0.00003 0.00012 48 4XZ 0.00000 0.00007 0.00000 -0.00003 0.00016 49 4YZ 0.00007 -0.00001 0.00002 0.00014 0.00005 50 4 C 1S 0.00002 0.00005 0.00001 0.00000 0.00000 51 2S -0.00020 -0.00094 -0.00020 0.00000 0.00000 52 2PX -0.00021 0.00189 0.00007 0.00000 0.00001 53 2PY -0.00020 -0.00082 -0.00024 0.00000 0.00000 54 2PZ -0.00022 -0.00023 0.00002 0.00000 0.00000 55 3S -0.00146 -0.00177 -0.00039 -0.00006 -0.00004 56 3PX -0.00051 0.00603 0.00029 -0.00017 0.00060 57 3PY -0.00069 -0.00055 -0.00077 -0.00011 -0.00003 58 3PZ -0.00069 -0.00085 0.00022 0.00001 -0.00016 59 4XX 0.00002 0.00007 0.00000 0.00000 0.00000 60 4YY -0.00002 0.00003 0.00001 0.00000 0.00000 61 4ZZ 0.00001 -0.00007 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 64 4YZ -0.00001 0.00001 0.00000 0.00000 0.00000 65 5 C 1S 0.00007 -0.00005 0.00000 0.00000 0.00000 66 2S -0.00142 0.00108 0.00000 0.00001 0.00000 67 2PX -0.00139 -0.00023 -0.00020 0.00007 -0.00004 68 2PY -0.00196 0.00060 -0.00015 0.00000 0.00001 69 2PZ -0.00006 -0.00020 -0.00045 0.00000 0.00000 70 3S -0.00040 0.00099 0.00001 0.00026 -0.00022 71 3PX -0.00081 0.00201 -0.00021 0.00026 -0.00046 72 3PY -0.00198 -0.00018 -0.00023 0.00033 -0.00014 73 3PZ 0.00021 -0.00043 -0.00108 0.00003 0.00003 74 4XX -0.00008 0.00037 -0.00004 0.00000 0.00001 75 4YY 0.00015 -0.00003 0.00000 0.00000 0.00000 76 4ZZ -0.00003 -0.00019 0.00001 0.00000 0.00000 77 4XY 0.00005 -0.00012 0.00000 0.00001 0.00000 78 4XZ 0.00001 0.00001 -0.00002 0.00000 0.00000 79 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 80 6 C 1S 0.00008 -0.00001 0.00000 0.00000 0.00000 81 2S -0.00086 0.00018 -0.00001 0.00000 0.00000 82 2PX -0.00054 0.00027 0.00000 -0.00001 0.00000 83 2PY 0.00014 0.00043 0.00000 0.00000 0.00000 84 2PZ -0.00002 0.00000 0.00008 0.00000 0.00000 85 3S -0.00287 0.00087 0.00001 -0.00038 0.00001 86 3PX -0.00293 0.00006 0.00009 -0.00014 0.00010 87 3PY 0.00013 0.00213 0.00001 0.00008 -0.00002 88 3PZ -0.00009 -0.00002 -0.00029 0.00000 0.00000 89 4XX -0.00015 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00006 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00030 0.00003 0.00001 0.00000 0.00000 96 2S -0.00337 -0.00022 -0.00032 0.00002 0.00000 97 2PX -0.00447 -0.00037 -0.00179 0.00014 -0.00001 98 2PY -0.00012 -0.00002 0.00011 0.00001 0.00000 99 2PZ -0.00020 0.00019 0.00042 0.00000 0.00000 100 3S -0.00405 -0.00266 0.00080 0.00012 -0.00007 101 3PX -0.00646 -0.00194 -0.00232 0.00066 -0.00076 102 3PY 0.00085 0.00056 0.00075 0.00000 0.00002 103 3PZ -0.00019 0.00005 0.00085 0.00006 0.00025 104 4XX 0.00031 0.00009 -0.00010 0.00001 0.00000 105 4YY -0.00021 -0.00001 -0.00001 0.00000 0.00000 106 4ZZ 0.00001 0.00000 0.00002 0.00000 0.00000 107 4XY 0.00001 0.00001 -0.00001 0.00000 0.00000 108 4XZ 0.00012 0.00001 -0.00001 0.00000 0.00000 109 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00022 -0.00003 0.00104 0.00000 0.00000 111 2S -0.00016 0.00020 -0.00868 0.00028 -0.00026 112 2PX -0.00042 0.00045 -0.00086 -0.00031 -0.00045 113 2PY 0.00014 0.00129 0.00011 -0.00002 0.00000 114 2PZ 0.00613 0.00050 -0.00133 0.00193 -0.00086 115 3S 0.00550 0.00221 -0.03964 0.00087 -0.00299 116 3PX -0.00375 0.00045 -0.00706 -0.00093 -0.00424 117 3PY 0.00024 -0.00376 -0.00093 0.00011 -0.00017 118 3PZ 0.00792 0.00159 -0.00081 0.00253 -0.00184 119 4XX -0.00036 -0.00003 0.00070 0.00001 -0.00001 120 4YY -0.00018 -0.00002 -0.00010 -0.00002 0.00001 121 4ZZ 0.00094 0.00006 -0.00014 0.00006 -0.00002 122 4XY 0.00000 0.00010 -0.00001 0.00000 0.00000 123 4XZ 0.00000 0.00001 0.00007 0.00000 -0.00004 124 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 125 9 C 1S 0.00004 0.00002 0.00005 0.00000 0.00000 126 2S -0.00013 -0.00001 -0.00056 0.00000 0.00001 127 2PX 0.00002 0.00090 -0.00077 -0.00001 0.00000 128 2PY -0.00041 0.00002 -0.00006 0.00000 0.00001 129 2PZ -0.00044 0.00084 -0.00050 -0.00002 0.00001 130 3S -0.00109 -0.00007 0.00502 -0.00011 0.00049 131 3PX 0.00008 0.00184 -0.00230 -0.00014 0.00019 132 3PY -0.00096 -0.00024 0.00272 -0.00018 0.00042 133 3PZ -0.00169 0.00191 0.00063 -0.00034 0.00037 134 4XX 0.00003 -0.00005 0.00005 0.00000 0.00000 135 4YY -0.00006 0.00008 0.00002 0.00000 0.00000 136 4ZZ 0.00009 -0.00009 -0.00005 0.00000 0.00000 137 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 138 4XZ 0.00000 0.00004 0.00001 0.00000 0.00000 139 4YZ 0.00003 0.00000 -0.00001 0.00000 0.00000 140 10 H 1S 0.00000 0.00005 0.00001 0.00000 0.00000 141 2S -0.00003 0.00072 0.00009 0.00000 0.00001 142 11 H 1S 0.00026 -0.00002 0.00003 0.00000 0.00000 143 2S 0.00170 -0.00108 0.00016 0.00001 0.00003 144 12 H 1S -0.00034 0.00027 -0.00135 -0.00001 0.00000 145 2S -0.00048 0.00155 -0.00227 -0.00026 0.00034 146 13 H 1S 0.00005 -0.00010 -0.00003 0.00000 0.00000 147 2S 0.00016 -0.00053 -0.00007 0.00001 -0.00002 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00001 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00008 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 153 3S -0.00029 -0.00004 0.00004 0.00000 0.00000 154 3PX 0.00054 -0.00005 0.00003 0.00001 0.00000 155 3PY 0.00005 -0.00003 0.00000 0.00000 0.00000 156 3PZ -0.00021 0.00000 -0.00003 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00001 -0.00001 0.00000 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00003 -0.00002 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00006 -0.00001 0.00000 0.00000 0.00000 169 2PX -0.00033 -0.00008 -0.00007 0.00000 0.00000 170 2PY 0.00033 -0.00001 0.00008 0.00000 0.00000 171 2PZ -0.00032 -0.00002 0.00001 0.00000 0.00000 172 3S 0.00075 -0.00009 0.00028 -0.00001 0.00000 173 3PX -0.00203 -0.00045 -0.00012 0.00001 0.00004 174 3PY 0.00165 0.00002 0.00033 -0.00002 -0.00001 175 3PZ -0.00163 -0.00017 0.00016 0.00001 0.00000 176 4XX -0.00003 0.00000 -0.00001 0.00000 0.00000 177 4YY 0.00002 0.00000 0.00001 0.00000 0.00000 178 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 179 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00002 0.00001 0.00000 0.00000 0.00000 183 2S 0.00020 0.00018 0.00002 0.00000 0.00000 184 19 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 185 2S -0.00025 -0.00005 -0.00001 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01868 17 5XY 0.00000 0.02405 18 5XZ 0.00000 0.00000 0.01611 19 5YZ 0.00000 0.00000 0.00000 0.02055 20 2 O 1S 0.00002 0.00000 0.00000 -0.00036 2.07969 21 2S -0.00035 0.00002 0.00000 0.00569 -0.04352 22 2PX 0.00005 0.00982 0.00306 0.00000 0.00000 23 2PY 0.00249 0.00024 -0.00009 0.01436 0.00000 24 2PZ -0.00016 -0.00004 0.00005 -0.00132 0.00000 25 3S -0.00165 -0.00005 -0.00001 0.00390 -0.04233 26 3PX 0.00016 0.01752 0.00566 0.00000 0.00000 27 3PY 0.00752 0.00008 -0.00011 0.00643 0.00000 28 3PZ -0.00467 -0.00006 -0.00006 0.00192 0.00000 29 4XX 0.00005 0.00000 0.00000 -0.00010 -0.00040 30 4YY 0.00091 0.00002 -0.00001 0.00172 -0.00049 31 4ZZ -0.00018 -0.00001 0.00000 -0.00014 -0.00044 32 4XY 0.00001 0.00120 0.00051 0.00000 0.00000 33 4XZ 0.00000 0.00054 0.00003 0.00000 0.00000 34 4YZ -0.00003 0.00000 0.00000 0.00000 0.00000 35 3 O 1S 0.00000 -0.00005 -0.00001 -0.00006 0.00000 36 2S 0.00003 0.00106 0.00037 0.00155 0.00000 37 2PX -0.00024 0.00051 -0.00013 0.00170 0.00000 38 2PY -0.00030 0.00318 0.00263 0.00288 0.00000 39 2PZ -0.00033 0.00283 -0.00003 -0.00017 0.00000 40 3S -0.00107 0.00457 0.00006 0.00413 0.00000 41 3PX -0.00151 0.00003 -0.00001 0.00201 0.00000 42 3PY -0.00168 0.00315 0.00365 0.00257 0.00001 43 3PZ -0.00252 0.00496 0.00002 0.00003 0.00000 44 4XX 0.00006 -0.00013 0.00003 -0.00011 0.00000 45 4YY 0.00015 -0.00011 0.00024 0.00005 0.00000 46 4ZZ -0.00004 0.00014 -0.00002 -0.00003 0.00000 47 4XY -0.00001 0.00001 0.00000 0.00005 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00007 0.00000 49 4YZ -0.00003 0.00045 0.00006 0.00010 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00006 -0.00014 -0.00007 -0.00006 0.00000 56 3PX -0.00024 -0.00002 -0.00007 0.00010 0.00000 57 3PY 0.00012 -0.00008 0.00000 -0.00001 0.00000 58 3PZ 0.00005 -0.00004 -0.00001 -0.00001 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 67 2PX -0.00001 -0.00003 0.00000 -0.00002 0.00000 68 2PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 69 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 70 3S -0.00004 0.00013 -0.00002 -0.00002 0.00000 71 3PX -0.00008 -0.00043 -0.00002 -0.00009 0.00000 72 3PY -0.00004 0.00027 -0.00002 -0.00001 0.00000 73 3PZ -0.00001 0.00008 0.00008 -0.00005 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00009 -0.00004 0.00000 0.00000 0.00000 86 3PX -0.00006 -0.00003 0.00001 0.00000 0.00000 87 3PY 0.00002 -0.00010 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX -0.00002 0.00003 0.00004 0.00001 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S -0.00011 0.00027 -0.00016 0.00000 0.00000 101 3PX 0.00022 0.00043 -0.00027 0.00001 0.00000 102 3PY -0.00007 -0.00016 -0.00011 -0.00005 -0.00001 103 3PZ -0.00015 0.00001 0.00001 -0.00001 0.00001 104 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S -0.00003 0.00000 -0.00005 0.00000 0.00000 111 2S 0.00135 0.00000 0.00194 0.00000 0.00000 112 2PX 0.00367 -0.00005 0.00205 -0.00003 0.00000 113 2PY 0.00000 0.00029 0.00006 0.00077 0.00000 114 2PZ 0.00139 -0.00006 0.00513 -0.00001 0.00000 115 3S 0.00733 -0.00034 0.00586 -0.00019 0.00000 116 3PX 0.00942 0.00000 0.00062 -0.00010 -0.00001 117 3PY 0.00050 0.00148 0.00022 0.00187 0.00002 118 3PZ 0.00192 -0.00034 0.00317 -0.00004 -0.00001 119 4XX -0.00001 0.00001 0.00000 0.00001 0.00000 120 4YY -0.00001 0.00000 -0.00005 0.00000 0.00000 121 4ZZ 0.00004 0.00000 0.00011 0.00001 0.00000 122 4XY 0.00000 0.00001 0.00001 0.00002 0.00000 123 4XZ 0.00014 0.00000 0.00021 -0.00001 0.00000 124 4YZ 0.00002 0.00004 0.00001 -0.00002 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 -0.00001 0.00002 0.00000 127 2PX 0.00002 0.00000 0.00001 0.00003 0.00000 128 2PY -0.00001 0.00001 -0.00001 0.00003 0.00000 129 2PZ 0.00001 0.00001 0.00000 0.00004 0.00000 130 3S -0.00064 -0.00003 -0.00029 -0.00013 0.00000 131 3PX 0.00009 0.00002 0.00000 0.00018 0.00000 132 3PY -0.00078 -0.00003 -0.00032 0.00000 0.00000 133 3PZ -0.00009 0.00008 -0.00008 0.00000 0.00000 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00001 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S -0.00001 0.00006 0.00000 0.00001 0.00000 144 12 H 1S 0.00004 0.00000 -0.00002 0.00002 0.00000 145 2S 0.00004 -0.00008 -0.00019 0.00015 0.00000 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00002 0.00000 0.00001 -0.00002 0.00000 148 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00001 0.00000 0.00000 0.00000 173 3PX -0.00003 0.00000 -0.00002 0.00001 0.00000 174 3PY 0.00002 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2S 0.52065 22 2PX 0.00000 0.74551 23 2PY 0.00000 0.00000 0.57618 24 2PZ 0.00000 0.00000 0.00000 0.66296 25 3S 0.46061 0.00000 0.00000 0.00000 0.79254 26 3PX 0.00000 0.26983 0.00000 0.00000 0.00000 27 3PY 0.00000 0.00000 0.16311 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.22422 0.00000 29 4XX -0.00518 0.00000 0.00000 0.00000 -0.00791 30 4YY -0.00134 0.00000 0.00000 0.00000 -0.01041 31 4ZZ -0.00351 0.00000 0.00000 0.00000 -0.00756 32 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 33 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 3 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 0.00000 0.00000 0.00000 0.00010 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00017 38 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00052 39 2PZ 0.00000 0.00000 0.00000 0.00000 0.00003 40 3S 0.00013 -0.00037 -0.00037 -0.00004 0.00227 41 3PX 0.00005 0.00000 -0.00003 -0.00002 0.00179 42 3PY -0.00007 -0.00064 -0.00204 -0.00007 -0.00499 43 3PZ 0.00001 -0.00003 0.00001 0.00013 0.00036 44 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 45 4YY 0.00000 0.00000 0.00000 0.00000 -0.00015 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 -0.00004 56 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 57 3PY 0.00000 0.00000 0.00001 0.00000 -0.00004 58 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00001 -0.00002 -0.00001 0.00000 -0.00009 71 3PX -0.00001 0.00003 0.00005 -0.00001 -0.00017 72 3PY 0.00000 -0.00007 -0.00005 0.00000 0.00012 73 3PZ 0.00000 0.00001 0.00000 0.00000 -0.00001 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00001 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 83 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00003 0.00005 0.00003 -0.00001 0.00040 86 3PX 0.00005 -0.00002 0.00005 0.00001 0.00000 87 3PY 0.00000 -0.00014 -0.00003 -0.00002 -0.00029 88 3PZ -0.00001 0.00002 -0.00001 -0.00001 0.00001 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 -0.00007 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 100 3S 0.00003 0.00059 -0.00003 -0.00008 0.00057 101 3PX -0.00011 0.00084 -0.00007 -0.00048 -0.00058 102 3PY 0.00012 -0.00034 -0.00005 -0.00011 0.00047 103 3PZ -0.00015 0.00018 -0.00001 0.00023 -0.00037 104 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 -0.00001 0.00003 112 2PX 0.00000 -0.00001 0.00000 -0.00002 0.00000 113 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00020 114 2PZ 0.00000 -0.00003 0.00000 -0.00005 -0.00024 115 3S 0.00024 -0.00192 0.00081 -0.00191 0.00068 116 3PX 0.00020 -0.00008 0.00033 -0.00207 0.00051 117 3PY -0.00035 0.00091 -0.00011 0.00156 -0.00102 118 3PZ 0.00045 -0.00311 0.00061 -0.00114 0.00085 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 121 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 122 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 123 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 124 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00000 0.00000 -0.00001 0.00002 0.00006 131 3PX 0.00000 0.00000 0.00000 0.00001 0.00004 132 3PY 0.00000 0.00002 -0.00001 0.00006 0.00005 133 3PZ 0.00001 0.00000 -0.00003 0.00002 0.00025 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00001 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00006 -0.00005 0.00001 0.00000 0.00029 146 13 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 14 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 -0.00001 154 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S -0.00001 0.00004 0.00000 0.00001 -0.00003 173 3PX -0.00002 0.00002 0.00001 0.00007 0.00009 174 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 175 3PZ -0.00002 0.00005 0.00001 0.00001 -0.00010 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 3PX 0.39307 27 3PY 0.00000 0.19121 28 3PZ 0.00000 0.00000 0.30807 29 4XX 0.00000 0.00000 0.00000 0.00045 30 4YY 0.00000 0.00000 0.00000 0.00004 0.00398 31 4ZZ 0.00000 0.00000 0.00000 0.00006 -0.00039 32 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 33 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 3 O 1S 0.00001 0.00001 0.00000 0.00000 0.00000 36 2S -0.00009 -0.00015 -0.00002 0.00000 0.00000 37 2PX 0.00000 0.00004 -0.00002 0.00000 0.00000 38 2PY -0.00051 -0.00206 -0.00005 0.00000 0.00000 39 2PZ -0.00002 0.00002 0.00011 0.00000 0.00000 40 3S -0.00394 -0.00268 -0.00049 -0.00002 -0.00017 41 3PX 0.00048 0.00027 -0.00021 -0.00001 -0.00010 42 3PY -0.00440 -0.01283 -0.00045 0.00009 -0.00004 43 3PZ -0.00024 0.00016 0.00181 0.00000 -0.00001 44 4XX 0.00004 -0.00001 0.00001 0.00000 0.00000 45 4YY 0.00014 0.00009 0.00002 0.00000 0.00000 46 4ZZ 0.00000 0.00003 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00005 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 49 4YZ -0.00001 -0.00001 0.00003 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00004 0.00000 0.00001 0.00000 0.00000 56 3PX 0.00002 0.00002 0.00010 0.00000 0.00000 57 3PY 0.00002 0.00009 -0.00006 0.00000 0.00000 58 3PZ 0.00001 -0.00007 0.00001 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00001 0.00001 0.00000 0.00000 0.00000 67 2PX 0.00002 0.00002 -0.00001 0.00000 0.00000 68 2PY 0.00002 0.00003 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00028 -0.00012 -0.00002 0.00000 0.00000 71 3PX 0.00029 0.00037 -0.00009 0.00000 0.00001 72 3PY -0.00073 -0.00029 0.00000 0.00000 -0.00001 73 3PZ 0.00014 -0.00001 0.00001 0.00000 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00001 0.00000 0.00000 0.00000 82 2PX 0.00001 0.00001 0.00001 0.00000 0.00000 83 2PY -0.00003 -0.00001 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00068 0.00038 -0.00013 -0.00001 0.00000 86 3PX -0.00002 0.00017 0.00009 0.00000 0.00001 87 3PY -0.00120 -0.00017 -0.00016 0.00002 0.00000 88 3PZ 0.00020 -0.00005 -0.00010 0.00000 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00023 -0.00002 0.00000 0.00000 0.00000 97 2PX -0.00008 -0.00008 0.00000 0.00000 0.00000 98 2PY -0.00004 -0.00001 -0.00002 0.00000 0.00000 99 2PZ -0.00021 0.00001 -0.00002 0.00000 0.00000 100 3S 0.00473 -0.00024 -0.00046 0.00000 -0.00001 101 3PX 0.00489 -0.00042 -0.00224 0.00004 -0.00001 102 3PY -0.00180 -0.00037 -0.00059 0.00000 0.00001 103 3PZ 0.00101 -0.00011 0.00097 0.00000 -0.00004 104 4XX -0.00005 0.00000 -0.00004 0.00000 0.00000 105 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 107 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00002 -0.00001 0.00002 0.00000 0.00000 111 2S -0.00032 0.00011 -0.00075 0.00000 0.00000 112 2PX -0.00020 0.00027 -0.00122 0.00000 0.00000 113 2PY -0.00001 -0.00004 -0.00044 0.00000 0.00000 114 2PZ -0.00172 0.00013 -0.00228 0.00000 0.00000 115 3S -0.01256 0.00506 -0.01164 0.00002 0.00026 116 3PX 0.00024 0.00179 -0.00920 0.00001 0.00014 117 3PY 0.00414 0.00012 0.00663 -0.00002 -0.00011 118 3PZ -0.01490 0.00297 -0.00482 0.00003 0.00017 119 4XX 0.00001 -0.00003 -0.00002 0.00000 0.00000 120 4YY 0.00002 0.00000 0.00005 0.00000 0.00000 121 4ZZ -0.00002 0.00003 -0.00005 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00003 0.00000 0.00000 123 4XZ 0.00000 0.00001 -0.00005 0.00000 0.00000 124 4YZ 0.00004 0.00000 0.00010 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 130 3S 0.00011 -0.00028 0.00051 0.00000 -0.00001 131 3PX 0.00000 0.00004 0.00016 0.00000 0.00000 132 3PY 0.00032 -0.00012 0.00086 0.00000 -0.00001 133 3PZ 0.00002 -0.00029 0.00030 0.00000 -0.00001 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S -0.00006 -0.00003 0.00000 0.00000 0.00000 144 12 H 1S 0.00001 0.00001 -0.00005 0.00000 0.00000 145 2S -0.00035 0.00007 0.00008 0.00000 0.00001 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00001 -0.00002 0.00000 0.00000 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00002 0.00000 0.00000 0.00000 0.00000 154 3PX -0.00012 -0.00001 0.00000 0.00000 0.00000 155 3PY 0.00002 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00002 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00001 0.00000 0.00001 0.00000 0.00000 172 3S 0.00043 0.00001 0.00012 0.00000 0.00000 173 3PX 0.00041 0.00010 0.00075 0.00000 -0.00001 174 3PY 0.00002 0.00004 -0.00005 0.00000 0.00000 175 3PZ 0.00074 0.00007 0.00009 0.00000 -0.00001 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00001 -0.00007 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00003 0.00001 0.00001 0.00000 0.00000 31 32 33 34 35 31 4ZZ 0.00225 32 4XY 0.00000 0.00246 33 4XZ 0.00000 0.00000 0.00085 34 4YZ 0.00000 0.00000 0.00000 0.00193 35 3 O 1S 0.00000 0.00000 0.00000 0.00000 2.07882 36 2S 0.00000 0.00000 0.00000 0.00000 -0.04280 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 38 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 39 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 3S 0.00005 -0.00007 0.00000 -0.00001 -0.04528 41 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 42 3PY 0.00013 -0.00008 0.00001 -0.00001 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00000 -0.00053 45 4YY 0.00000 0.00000 0.00000 0.00000 -0.00048 46 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00039 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 -0.00007 56 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 57 3PY 0.00000 0.00000 0.00000 0.00000 -0.00006 58 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 67 2PX 0.00000 0.00000 0.00000 0.00000 -0.00041 68 2PY 0.00000 0.00000 0.00000 0.00000 -0.00007 69 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00006 70 3S 0.00000 0.00000 0.00000 0.00000 0.00181 71 3PX 0.00000 0.00000 0.00000 0.00000 0.00029 72 3PY 0.00000 -0.00001 0.00000 0.00000 0.00027 73 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00024 74 4XX 0.00000 0.00000 0.00000 0.00000 -0.00007 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 78 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00006 79 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S -0.00001 0.00000 0.00000 0.00000 -0.00005 86 3PX 0.00000 0.00000 0.00000 0.00000 -0.00008 87 3PY 0.00000 -0.00001 0.00000 0.00000 -0.00006 88 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S -0.00002 0.00002 0.00003 0.00000 0.00000 101 3PX -0.00008 0.00002 0.00004 -0.00002 0.00001 102 3PY -0.00002 0.00002 -0.00001 0.00000 0.00000 103 3PZ 0.00002 0.00001 0.00001 0.00001 0.00000 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 115 3S -0.00022 -0.00011 -0.00011 -0.00006 -0.00003 116 3PX -0.00016 0.00000 0.00000 -0.00008 -0.00001 117 3PY 0.00020 0.00001 0.00006 0.00001 0.00002 118 3PZ -0.00003 -0.00016 -0.00011 0.00000 -0.00005 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 3PY 0.00001 0.00000 0.00000 0.00001 0.00000 133 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00015 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 146 13 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 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.51002 37 2PX 0.00000 0.61256 38 2PY 0.00000 0.00000 0.68967 39 2PZ 0.00000 0.00000 0.00000 0.70204 40 3S 0.48811 0.00000 0.00000 0.00000 0.90960 41 3PX 0.00000 0.19481 0.00000 0.00000 0.00000 42 3PY 0.00000 0.00000 0.23791 0.00000 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.25323 0.00000 44 4XX -0.00068 0.00000 0.00000 0.00000 -0.00659 45 4YY -0.00259 0.00000 0.00000 0.00000 -0.00593 46 4ZZ -0.00603 0.00000 0.00000 0.00000 -0.01176 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 51 2S -0.00001 0.00001 -0.00003 -0.00008 -0.00058 52 2PX -0.00002 0.00000 -0.00002 0.00001 -0.00110 53 2PY 0.00000 -0.00001 -0.00001 -0.00006 -0.00028 54 2PZ -0.00004 0.00000 -0.00009 -0.00024 -0.00110 55 3S 0.00111 -0.00021 -0.00022 -0.00263 0.00590 56 3PX -0.00056 0.00005 0.00000 0.00092 -0.00385 57 3PY 0.00086 -0.00033 -0.00003 -0.00051 0.00338 58 3PZ -0.00008 0.00000 -0.00170 -0.00474 -0.00122 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00004 61 4ZZ 0.00000 0.00001 0.00000 0.00000 -0.00004 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 63 4XZ 0.00000 0.00000 0.00000 0.00001 0.00001 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 65 5 C 1S -0.00001 -0.00018 -0.00001 -0.00005 0.00165 66 2S 0.00048 0.01036 0.00112 0.00225 -0.01379 67 2PX 0.00861 0.03245 0.00382 0.00987 0.00566 68 2PY 0.00131 0.00491 -0.00048 0.00131 0.00226 69 2PZ 0.00145 0.00941 0.00097 -0.00014 -0.00216 70 3S -0.02599 0.00948 -0.00112 0.00411 -0.09397 71 3PX -0.00358 0.00493 0.00325 0.00304 -0.02164 72 3PY -0.00326 0.00347 0.00366 0.00063 -0.00736 73 3PZ 0.00277 0.00265 0.00057 0.00362 -0.00007 74 4XX 0.00196 0.00076 0.00148 0.00224 0.00440 75 4YY -0.00020 -0.00028 0.00011 -0.00006 -0.00118 76 4ZZ 0.00002 0.00005 -0.00011 0.00003 0.00016 77 4XY 0.00041 0.00172 0.00042 0.00050 0.00036 78 4XZ 0.00145 0.00228 0.00056 -0.00008 0.00169 79 4YZ 0.00013 0.00065 0.00011 -0.00003 0.00015 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 81 2S -0.00001 -0.00006 -0.00002 0.00000 -0.00029 82 2PX -0.00004 -0.00020 -0.00005 -0.00001 -0.00219 83 2PY 0.00000 -0.00006 -0.00001 0.00000 0.00034 84 2PZ -0.00001 -0.00001 0.00000 0.00000 -0.00054 85 3S 0.00084 -0.00165 -0.00081 -0.00049 0.00399 86 3PX 0.00132 -0.00156 0.00003 -0.00078 0.00189 87 3PY 0.00094 -0.00186 0.00048 0.00006 0.00472 88 3PZ -0.00028 -0.00080 -0.00020 -0.00009 -0.00263 89 4XX 0.00000 0.00002 0.00000 0.00000 0.00009 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 91 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 92 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 93 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 97 2PX 0.00000 0.00000 0.00000 0.00000 -0.00007 98 2PY 0.00000 0.00000 0.00000 0.00000 -0.00013 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00003 100 3S 0.00002 -0.00005 -0.00031 -0.00019 -0.00122 101 3PX -0.00012 0.00013 0.00010 -0.00062 -0.00174 102 3PY 0.00005 -0.00005 0.00001 -0.00027 -0.00051 103 3PZ 0.00004 -0.00035 -0.00021 0.00031 0.00080 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 106 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 111 2S 0.00000 0.00000 0.00000 -0.00001 0.00011 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00007 113 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 114 2PZ 0.00000 0.00000 -0.00002 -0.00004 -0.00001 115 3S 0.00062 -0.00008 -0.00044 0.00035 0.00732 116 3PX 0.00014 0.00012 -0.00016 -0.00047 0.00084 117 3PY -0.00035 0.00014 0.00021 0.00019 -0.00176 118 3PZ 0.00085 -0.00018 -0.00092 0.00074 0.00851 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 127 2PX 0.00000 0.00000 0.00000 0.00000 -0.00003 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00024 130 3S 0.00001 -0.00003 0.00000 -0.00030 0.00022 131 3PX -0.00003 0.00008 0.00000 -0.00023 -0.00016 132 3PY 0.00000 0.00000 -0.00012 0.00001 0.00005 133 3PZ -0.00021 -0.00010 -0.00001 -0.00093 -0.00156 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 141 2S 0.00005 0.00000 0.00010 0.00013 0.00064 142 11 H 1S -0.00009 -0.00011 -0.00010 -0.00001 -0.00292 143 2S -0.00238 -0.00217 -0.00217 -0.00018 -0.00815 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 0.00003 0.00006 -0.00001 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00001 148 14 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 -0.00001 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00002 0.00008 0.00002 0.00000 0.00028 154 3PX -0.00002 -0.00012 0.00001 0.00000 -0.00048 155 3PY -0.00001 0.00009 0.00000 0.00000 0.00012 156 3PZ 0.00000 -0.00001 0.00000 0.00001 -0.00003 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00004 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00002 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 174 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00003 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 3PX 0.25492 42 3PY 0.00000 0.33222 43 3PZ 0.00000 0.00000 0.36968 44 4XX 0.00000 0.00000 0.00000 0.00143 45 4YY 0.00000 0.00000 0.00000 0.00011 0.00130 46 4ZZ 0.00000 0.00000 0.00000 -0.00011 -0.00015 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00000 0.00003 0.00011 0.00000 0.00000 51 2S 0.00019 -0.00097 -0.00292 0.00000 0.00001 52 2PX -0.00002 -0.00032 -0.00012 0.00000 0.00000 53 2PY -0.00024 -0.00003 -0.00129 0.00000 0.00000 54 2PZ 0.00021 -0.00186 -0.00479 -0.00001 0.00001 55 3S -0.00046 -0.00113 -0.01322 -0.00004 0.00008 56 3PX 0.00094 -0.00005 0.00256 0.00000 -0.00004 57 3PY -0.00099 -0.00076 -0.00168 -0.00003 -0.00002 58 3PZ 0.00055 -0.00612 -0.01508 -0.00008 0.00029 59 4XX -0.00002 -0.00001 -0.00004 0.00000 0.00000 60 4YY 0.00006 -0.00001 0.00000 0.00000 0.00000 61 4ZZ 0.00014 -0.00003 0.00008 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00004 0.00000 0.00000 63 4XZ 0.00001 0.00007 0.00027 0.00000 0.00000 64 4YZ 0.00003 0.00000 -0.00001 0.00000 0.00000 65 5 C 1S -0.00190 -0.00011 -0.00050 -0.00015 0.00000 66 2S 0.02120 0.00178 0.00472 0.00201 -0.00017 67 2PX 0.03325 0.00316 0.01414 0.00005 -0.00051 68 2PY 0.00604 -0.00376 0.00194 0.00042 0.00003 69 2PZ 0.01262 0.00117 -0.00546 0.00158 0.00004 70 3S 0.01553 -0.00368 0.00850 0.00237 -0.00016 71 3PX 0.00279 0.00503 0.00386 0.00006 -0.00039 72 3PY 0.00483 0.00919 0.00089 0.00019 -0.00015 73 3PZ 0.00422 0.00093 0.01051 0.00102 0.00029 74 4XX 0.00075 0.00223 0.00375 -0.00005 -0.00015 75 4YY -0.00103 -0.00031 -0.00023 0.00001 0.00002 76 4ZZ 0.00048 -0.00039 -0.00103 0.00002 0.00003 77 4XY 0.00088 0.00152 0.00041 0.00000 -0.00001 78 4XZ 0.00111 0.00037 0.00042 0.00010 -0.00004 79 4YZ 0.00050 0.00038 0.00017 -0.00001 0.00000 80 6 C 1S 0.00009 0.00002 0.00000 0.00000 0.00000 81 2S -0.00253 -0.00075 0.00015 0.00001 0.00000 82 2PX -0.00464 -0.00103 -0.00047 0.00008 -0.00001 83 2PY -0.00105 0.00010 0.00004 0.00002 0.00000 84 2PZ -0.00065 -0.00007 -0.00001 0.00001 0.00000 85 3S -0.00770 -0.00427 -0.00240 0.00011 -0.00007 86 3PX -0.00550 -0.00003 -0.00282 0.00015 0.00010 87 3PY -0.00558 0.00394 0.00046 -0.00001 -0.00009 88 3PZ -0.00353 -0.00077 -0.00041 0.00008 -0.00001 89 4XX 0.00049 0.00004 0.00013 0.00000 0.00000 90 4YY -0.00020 -0.00002 0.00000 0.00000 0.00000 91 4ZZ -0.00004 -0.00001 0.00000 0.00000 0.00000 92 4XY -0.00003 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00014 0.00004 0.00000 0.00000 0.00000 94 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00005 0.00001 -0.00009 0.00000 0.00000 97 2PX -0.00002 -0.00013 -0.00013 0.00000 0.00000 98 2PY -0.00006 0.00001 -0.00016 0.00000 0.00000 99 2PZ -0.00010 -0.00005 0.00003 0.00000 0.00000 100 3S -0.00014 -0.00215 -0.00177 0.00004 0.00003 101 3PX 0.00065 0.00021 -0.00366 0.00008 0.00003 102 3PY -0.00042 0.00002 -0.00174 0.00006 0.00002 103 3PZ -0.00168 -0.00113 0.00141 -0.00003 -0.00003 104 4XX 0.00001 0.00001 -0.00001 0.00000 0.00000 105 4YY -0.00001 -0.00001 0.00001 0.00000 0.00000 106 4ZZ -0.00001 0.00001 0.00001 0.00000 0.00000 107 4XY -0.00001 -0.00001 -0.00001 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S -0.00002 -0.00022 -0.00056 0.00000 0.00000 112 2PX 0.00008 -0.00007 -0.00008 0.00000 0.00000 113 2PY 0.00001 -0.00010 -0.00033 0.00000 0.00000 114 2PZ -0.00004 -0.00117 -0.00188 0.00000 0.00000 115 3S -0.00056 -0.00238 0.00430 -0.00014 -0.00006 116 3PX 0.00064 -0.00070 -0.00195 0.00000 0.00000 117 3PY 0.00058 0.00047 0.00075 -0.00003 0.00003 118 3PZ -0.00088 -0.00394 0.00432 -0.00032 -0.00016 119 4XX 0.00000 -0.00002 -0.00007 0.00000 0.00000 120 4YY 0.00000 0.00002 -0.00001 0.00000 0.00000 121 4ZZ 0.00000 0.00002 0.00010 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 124 4YZ 0.00000 0.00002 0.00011 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S -0.00001 0.00000 -0.00022 0.00000 0.00000 127 2PX 0.00005 0.00000 -0.00025 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ -0.00009 -0.00001 -0.00106 0.00000 0.00000 130 3S -0.00022 -0.00002 -0.00183 0.00001 0.00001 131 3PX 0.00060 -0.00001 -0.00119 0.00000 0.00000 132 3PY 0.00000 -0.00074 0.00007 0.00000 0.00000 133 3PZ -0.00059 -0.00004 -0.00458 0.00001 0.00000 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 136 4ZZ 0.00000 0.00000 -0.00005 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 139 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 140 10 H 1S 0.00001 0.00001 0.00004 0.00000 0.00000 141 2S 0.00006 0.00092 0.00134 0.00000 -0.00002 142 11 H 1S -0.00203 -0.00197 -0.00019 0.00008 0.00005 143 2S -0.00764 -0.00812 -0.00084 -0.00001 0.00041 144 12 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 145 2S 0.00000 0.00039 0.00087 0.00000 0.00000 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 -0.00012 0.00000 0.00000 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00003 0.00000 0.00000 0.00000 0.00000 150 2PX -0.00008 -0.00001 0.00000 0.00000 0.00000 151 2PY 0.00005 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 153 3S 0.00097 0.00021 0.00000 -0.00001 0.00000 154 3PX -0.00129 0.00010 -0.00001 -0.00002 0.00001 155 3PY 0.00089 -0.00009 0.00001 -0.00001 0.00000 156 3PZ -0.00008 -0.00001 0.00015 0.00000 0.00000 157 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00007 -0.00001 0.00000 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00010 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00001 -0.00003 0.00000 0.00000 173 3PX 0.00001 -0.00001 0.00008 0.00000 0.00000 174 3PY -0.00004 0.00005 -0.00007 0.00000 0.00000 175 3PZ 0.00008 0.00000 -0.00001 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4ZZ 0.00218 47 4XY 0.00000 0.00087 48 4XZ 0.00000 0.00000 0.00121 49 4YZ 0.00000 0.00000 0.00000 0.00157 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 2.05366 51 2S 0.00000 0.00000 0.00001 0.00001 -0.01414 52 2PX 0.00001 0.00000 0.00000 0.00001 0.00000 53 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00001 0.00000 0.00005 0.00006 0.00000 55 3S -0.00026 0.00000 -0.00001 0.00009 -0.03000 56 3PX 0.00018 0.00000 0.00000 0.00005 0.00000 57 3PY -0.00003 0.00000 -0.00001 0.00000 0.00000 58 3PZ -0.00032 0.00000 0.00004 0.00013 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 -0.00095 60 4YY 0.00000 0.00000 0.00000 0.00000 -0.00164 61 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00125 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00001 -0.00002 -0.00008 -0.00001 0.00000 66 2S 0.00026 0.00020 0.00108 0.00008 -0.00017 67 2PX 0.00125 -0.00016 0.00208 0.00018 -0.00008 68 2PY 0.00003 0.00063 0.00045 0.00009 -0.00018 69 2PZ -0.00002 0.00013 0.00001 0.00002 -0.00119 70 3S 0.00129 -0.00008 0.00048 -0.00001 -0.00079 71 3PX 0.00139 -0.00002 0.00011 0.00008 -0.00016 72 3PY 0.00009 0.00062 0.00010 0.00013 0.00023 73 3PZ -0.00041 0.00003 0.00018 -0.00003 -0.00156 74 4XX 0.00017 0.00004 0.00008 0.00001 0.00000 75 4YY -0.00001 0.00001 -0.00004 0.00001 0.00000 76 4ZZ -0.00003 0.00001 0.00000 0.00000 -0.00010 77 4XY 0.00001 0.00000 0.00009 0.00005 0.00000 78 4XZ 0.00000 -0.00002 0.00000 0.00000 -0.00002 79 4YZ 0.00000 0.00003 0.00000 0.00000 -0.00005 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00003 -0.00001 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 85 3S -0.00009 0.00000 -0.00005 -0.00003 0.00008 86 3PX -0.00014 0.00001 -0.00004 -0.00002 0.00007 87 3PY 0.00001 0.00002 -0.00005 0.00001 0.00022 88 3PZ 0.00003 0.00002 0.00002 0.00000 0.00004 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S -0.00001 -0.00002 -0.00002 -0.00004 0.00001 101 3PX -0.00008 0.00002 0.00001 -0.00003 0.00000 102 3PY -0.00005 0.00000 -0.00002 0.00000 0.00002 103 3PZ 0.00002 -0.00002 -0.00001 0.00001 0.00000 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 3S 0.00004 0.00000 0.00000 0.00004 0.00006 116 3PX -0.00005 0.00000 0.00001 -0.00002 0.00001 117 3PY 0.00005 0.00000 0.00001 0.00004 0.00019 118 3PZ 0.00017 0.00000 0.00000 0.00008 0.00000 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 -0.00079 127 2PX 0.00000 0.00000 0.00000 0.00000 -0.00053 128 2PY 0.00000 0.00000 0.00000 0.00000 -0.00171 129 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00146 130 3S -0.00006 0.00000 -0.00001 0.00000 -0.00053 131 3PX -0.00002 0.00000 0.00000 0.00000 -0.00030 132 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00098 133 3PZ -0.00006 0.00000 -0.00002 0.00000 -0.00079 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 135 4YY 0.00000 0.00000 0.00000 0.00000 -0.00002 136 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 137 4XY 0.00000 0.00000 0.00000 0.00000 -0.00006 138 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00005 139 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00019 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00216 141 2S 0.00000 0.00000 0.00000 -0.00001 -0.00132 142 11 H 1S 0.00000 0.00011 0.00001 0.00000 0.00000 143 2S 0.00006 0.00021 0.00002 0.00002 0.00010 144 12 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 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00019 148 14 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 0.00000 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.33084 52 2PX 0.00000 0.34833 53 2PY 0.00000 0.00000 0.42098 54 2PZ 0.00000 0.00000 0.00000 0.40471 55 3S 0.21308 0.00000 0.00000 0.00000 0.25491 56 3PX 0.00000 0.12125 0.00000 0.00000 0.00000 57 3PY 0.00000 0.00000 0.07606 0.00000 0.00000 58 3PZ 0.00000 0.00000 0.00000 0.09149 0.00000 59 4XX -0.01007 0.00000 0.00000 0.00000 -0.00693 60 4YY 0.00294 0.00000 0.00000 0.00000 0.00365 61 4ZZ -0.00394 0.00000 0.00000 0.00000 -0.00295 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00022 -0.00005 -0.00017 -0.00113 0.00164 66 2S 0.00532 0.00126 0.00297 0.02345 -0.00513 67 2PX 0.00172 0.00154 0.00051 0.00573 0.00233 68 2PY 0.00382 0.00057 -0.00089 0.01250 0.00243 69 2PZ 0.02308 0.00558 0.01000 0.05583 0.03006 70 3S 0.00945 -0.00040 0.00652 0.02319 -0.02804 71 3PX 0.00191 0.00271 0.00038 0.00249 0.00237 72 3PY -0.00064 0.00096 0.00116 0.00636 0.00129 73 3PZ 0.01535 0.00224 0.00489 0.01350 0.01279 74 4XX -0.00043 0.00002 -0.00016 -0.00098 -0.00090 75 4YY -0.00024 -0.00007 -0.00001 -0.00046 -0.00075 76 4ZZ 0.00230 0.00041 0.00128 0.00115 0.00308 77 4XY 0.00002 0.00010 0.00001 0.00012 0.00004 78 4XZ 0.00029 0.00077 0.00015 0.00063 0.00003 79 4YZ 0.00083 0.00011 0.00018 0.00140 0.00061 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00007 81 2S -0.00006 -0.00007 -0.00010 -0.00008 -0.00087 82 2PX -0.00007 -0.00003 -0.00013 -0.00013 -0.00110 83 2PY -0.00017 -0.00001 -0.00015 -0.00021 -0.00149 84 2PZ -0.00005 0.00001 0.00000 -0.00003 -0.00100 85 3S -0.00118 -0.00013 -0.00202 -0.00078 0.00008 86 3PX -0.00022 0.00006 -0.00111 0.00081 0.00162 87 3PY -0.00310 0.00001 -0.00183 -0.00197 -0.00357 88 3PZ -0.00034 0.00029 0.00071 0.00006 -0.00122 89 4XX 0.00000 -0.00001 -0.00001 0.00000 -0.00005 90 4YY 0.00000 0.00001 0.00001 0.00000 -0.00008 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 92 4XY 0.00000 0.00001 0.00001 0.00001 -0.00001 93 4XZ 0.00000 0.00000 0.00001 0.00001 0.00004 94 4YZ 0.00001 0.00003 0.00003 0.00002 0.00010 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 96 2S 0.00000 -0.00001 -0.00002 0.00000 -0.00026 97 2PX 0.00000 0.00000 -0.00001 0.00000 0.00001 98 2PY -0.00002 -0.00003 -0.00007 0.00000 -0.00066 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 100 3S -0.00034 -0.00024 -0.00114 0.00001 -0.00140 101 3PX -0.00001 0.00000 -0.00022 0.00004 0.00014 102 3PY -0.00066 0.00016 -0.00071 -0.00019 -0.00214 103 3PZ 0.00002 -0.00002 -0.00004 -0.00021 0.00012 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 105 4YY 0.00000 0.00000 0.00000 0.00000 -0.00005 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 107 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00008 111 2S -0.00009 -0.00002 -0.00031 -0.00001 -0.00020 112 2PX -0.00002 -0.00001 -0.00009 -0.00002 -0.00009 113 2PY -0.00039 -0.00018 -0.00087 -0.00005 -0.00419 114 2PZ 0.00000 -0.00001 0.00003 0.00000 -0.00034 115 3S -0.00132 -0.00066 -0.00315 0.00017 -0.00244 116 3PX -0.00009 -0.00107 -0.00033 -0.00007 -0.00060 117 3PY -0.00319 -0.00129 -0.00538 -0.00013 -0.01181 118 3PZ -0.00004 -0.00006 0.00066 -0.00042 -0.00128 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 120 4YY 0.00003 0.00004 0.00011 0.00001 0.00015 121 4ZZ 0.00000 0.00000 -0.00001 0.00000 -0.00004 122 4XY 0.00001 0.00000 0.00005 0.00001 0.00006 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00001 0.00001 0.00000 0.00002 125 9 C 1S -0.00079 -0.00051 -0.00167 -0.00150 -0.00007 126 2S 0.01428 0.00652 0.02143 0.02019 0.00907 127 2PX 0.00673 0.01194 0.01635 0.01837 0.00607 128 2PY 0.02302 0.01710 0.01016 0.02625 0.01273 129 2PZ 0.01889 0.01761 0.02247 0.00480 0.01054 130 3S 0.01348 0.00647 0.01733 0.01195 -0.00271 131 3PX 0.00345 0.03195 0.00717 0.00850 0.00533 132 3PY 0.01126 0.00697 -0.00123 0.00699 0.00439 133 3PZ 0.01081 0.00924 0.00487 0.00021 0.00527 134 4XX -0.00038 0.00000 -0.00031 -0.00007 -0.00017 135 4YY 0.00009 0.00025 -0.00131 0.00080 0.00069 136 4ZZ 0.00000 0.00033 0.00110 -0.00092 -0.00037 137 4XY 0.00047 0.00026 0.00017 0.00092 0.00015 138 4XZ 0.00041 0.00022 0.00102 0.00001 0.00014 139 4YZ 0.00172 0.00111 0.00070 0.00031 0.00057 140 10 H 1S 0.03353 0.00231 0.09307 0.00412 0.04373 141 2S 0.01390 0.00145 0.05500 0.00288 0.02675 142 11 H 1S -0.00011 -0.00007 -0.00001 -0.00042 -0.00424 143 2S -0.00174 -0.00093 -0.00015 -0.00616 -0.01394 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00012 145 2S 0.00011 0.00007 0.00029 0.00006 0.00090 146 13 H 1S -0.00019 -0.00010 -0.00007 -0.00052 -0.00210 147 2S -0.00266 -0.00107 -0.00047 -0.00747 -0.00556 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00004 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00013 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00002 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 153 3S 0.00004 0.00003 0.00003 0.00011 0.00063 154 3PX 0.00010 0.00008 0.00010 0.00015 0.00099 155 3PY -0.00002 -0.00013 -0.00002 -0.00004 -0.00010 156 3PZ -0.00007 -0.00010 -0.00007 -0.00003 -0.00047 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00008 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00001 0.00000 0.00000 0.00006 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00001 0.00000 0.00000 -0.00002 173 3PX 0.00000 0.00000 0.00001 0.00000 -0.00002 174 3PY 0.00000 0.00001 0.00001 0.00000 0.00003 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 3PX 0.14131 57 3PY 0.00000 0.05504 58 3PZ 0.00000 0.00000 0.07970 59 4XX 0.00000 0.00000 0.00000 0.00097 60 4YY 0.00000 0.00000 0.00000 -0.00007 0.00156 61 4ZZ 0.00000 0.00000 0.00000 0.00009 -0.00026 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00002 0.00052 -0.00015 0.00000 0.00001 66 2S 0.00019 -0.00013 0.01037 -0.00011 -0.00031 67 2PX 0.00132 0.00010 0.00302 0.00002 -0.00005 68 2PY 0.00070 0.00016 0.00825 -0.00009 -0.00001 69 2PZ 0.00290 0.00524 0.01564 -0.00052 -0.00061 70 3S -0.00210 -0.00060 0.00702 -0.00003 -0.00131 71 3PX 0.00220 0.00006 0.00205 -0.00007 -0.00008 72 3PY 0.00084 -0.00170 0.00443 -0.00006 -0.00029 73 3PZ 0.00124 0.00259 0.00163 -0.00052 -0.00092 74 4XX -0.00016 0.00004 -0.00205 0.00001 0.00001 75 4YY -0.00018 -0.00034 -0.00026 0.00001 0.00001 76 4ZZ 0.00060 0.00054 0.00142 -0.00005 -0.00003 77 4XY 0.00017 -0.00001 0.00003 0.00000 0.00000 78 4XZ 0.00081 -0.00003 0.00011 0.00000 -0.00002 79 4YZ 0.00003 0.00015 0.00025 -0.00002 0.00000 80 6 C 1S 0.00009 0.00012 0.00009 0.00000 0.00000 81 2S -0.00179 -0.00100 -0.00123 0.00000 0.00000 82 2PX -0.00015 -0.00098 -0.00109 0.00000 0.00001 83 2PY -0.00157 0.00031 -0.00239 0.00001 0.00002 84 2PZ 0.00003 0.00021 -0.00039 0.00000 -0.00001 85 3S -0.00198 -0.00110 -0.00244 0.00009 0.00012 86 3PX 0.00003 -0.00096 0.00204 0.00000 0.00006 87 3PY -0.00262 0.00026 -0.00482 0.00013 0.00010 88 3PZ 0.00051 0.00154 0.00008 0.00003 -0.00009 89 4XX -0.00011 -0.00008 -0.00002 0.00000 0.00000 90 4YY 0.00010 0.00004 -0.00009 0.00000 0.00000 91 4ZZ 0.00004 -0.00001 0.00009 0.00000 0.00000 92 4XY 0.00001 0.00002 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00002 0.00002 0.00000 0.00000 94 4YZ 0.00011 0.00007 0.00003 0.00000 0.00000 95 7 C 1S 0.00001 0.00003 0.00000 0.00000 0.00000 96 2S -0.00032 -0.00093 0.00005 0.00000 0.00000 97 2PX 0.00023 -0.00019 0.00001 0.00000 0.00000 98 2PY -0.00050 -0.00141 0.00008 0.00000 0.00000 99 2PZ -0.00005 -0.00001 -0.00029 0.00000 0.00000 100 3S -0.00099 -0.00366 0.00013 0.00001 -0.00003 101 3PX 0.00021 -0.00032 0.00003 0.00000 0.00002 102 3PY 0.00047 -0.00124 -0.00040 0.00001 0.00003 103 3PZ -0.00004 -0.00005 -0.00171 0.00000 0.00000 104 4XX -0.00001 -0.00001 0.00001 0.00000 0.00000 105 4YY 0.00002 0.00005 -0.00002 0.00000 0.00000 106 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 107 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 -0.00019 0.00002 0.00000 0.00000 111 2S 0.00001 -0.00035 -0.00017 0.00000 0.00004 112 2PX -0.00074 -0.00056 -0.00013 0.00000 0.00001 113 2PY -0.00129 -0.00264 -0.00049 0.00000 0.00021 114 2PZ -0.00015 -0.00033 0.00008 0.00000 -0.00001 115 3S -0.00168 -0.00027 0.00018 0.00000 0.00035 116 3PX -0.00499 -0.00182 -0.00019 -0.00001 0.00005 117 3PY -0.00348 -0.00561 -0.00072 -0.00002 0.00102 118 3PZ -0.00028 0.00016 -0.00148 0.00001 -0.00007 119 4XX -0.00001 -0.00004 -0.00001 0.00000 0.00000 120 4YY 0.00019 0.00025 0.00001 0.00000 0.00000 121 4ZZ -0.00010 -0.00001 0.00001 0.00000 0.00000 122 4XY 0.00013 0.00015 0.00002 0.00000 0.00000 123 4XZ -0.00002 -0.00001 0.00001 0.00000 0.00000 124 4YZ 0.00002 0.00002 -0.00004 0.00000 0.00000 125 9 C 1S -0.00021 -0.00050 -0.00087 0.00001 -0.00001 126 2S 0.00250 0.00945 0.00957 -0.00036 0.00006 127 2PX 0.03093 0.00741 0.00855 0.00000 0.00040 128 2PY 0.00717 -0.00051 0.00805 -0.00010 -0.00113 129 2PZ 0.00782 0.00207 -0.00049 -0.00025 0.00122 130 3S 0.00494 0.00699 0.00508 -0.00026 -0.00058 131 3PX 0.05964 0.00670 0.00726 -0.00063 0.00031 132 3PY 0.00488 0.00153 0.00145 0.00026 -0.00082 133 3PZ 0.00814 -0.00155 0.00430 0.00023 0.00027 134 4XX -0.00060 0.00020 0.00034 0.00000 0.00000 135 4YY 0.00046 -0.00085 0.00038 0.00000 0.00009 136 4ZZ 0.00037 0.00022 -0.00095 0.00003 -0.00023 137 4XY 0.00039 -0.00001 0.00015 0.00000 0.00002 138 4XZ 0.00031 0.00013 -0.00001 0.00000 -0.00006 139 4YZ 0.00020 -0.00001 -0.00002 -0.00004 -0.00003 140 10 H 1S 0.00103 0.04271 0.00195 -0.00073 0.00627 141 2S 0.00072 0.03602 0.00284 -0.00076 0.00515 142 11 H 1S -0.00036 0.00027 -0.00302 0.00000 0.00000 143 2S -0.00115 0.00047 -0.00957 0.00008 -0.00013 144 12 H 1S 0.00005 0.00018 0.00005 0.00000 0.00000 145 2S 0.00051 0.00117 0.00048 0.00000 -0.00002 146 13 H 1S -0.00045 -0.00017 -0.00223 0.00001 -0.00002 147 2S -0.00131 -0.00027 -0.01008 0.00012 -0.00046 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00007 0.00000 0.00000 150 2PX 0.00005 0.00003 0.00024 0.00000 0.00000 151 2PY -0.00008 0.00002 -0.00001 0.00000 0.00000 152 2PZ -0.00012 0.00000 -0.00007 0.00000 0.00000 153 3S 0.00028 0.00013 0.00098 0.00000 0.00000 154 3PX 0.00049 0.00023 0.00151 -0.00001 -0.00001 155 3PY -0.00087 -0.00002 -0.00031 0.00000 0.00000 156 3PZ -0.00084 -0.00008 -0.00039 0.00001 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY -0.00001 0.00000 -0.00001 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00006 -0.00004 -0.00007 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 166 2S 0.00016 0.00003 0.00006 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00001 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00001 0.00001 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00013 0.00012 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00007 0.00000 0.00000 0.00000 174 3PY 0.00012 0.00008 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 -0.00010 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00004 -0.00001 0.00000 0.00000 0.00000 61 62 63 64 65 61 4ZZ 0.00138 62 4XY 0.00000 0.00049 63 4XZ 0.00000 0.00000 0.00046 64 4YZ 0.00000 0.00000 0.00000 0.00095 65 5 C 1S -0.00008 0.00000 -0.00001 -0.00003 2.05281 66 2S 0.00198 0.00007 0.00025 0.00059 -0.01192 67 2PX 0.00039 0.00006 0.00042 0.00010 0.00000 68 2PY 0.00124 0.00001 0.00008 0.00017 0.00000 69 2PZ 0.00072 0.00018 0.00028 0.00154 0.00000 70 3S 0.00248 0.00003 0.00020 0.00026 -0.04211 71 3PX 0.00014 0.00003 0.00022 0.00001 0.00000 72 3PY 0.00084 -0.00001 0.00000 0.00017 0.00000 73 3PZ 0.00059 0.00003 0.00003 0.00018 0.00000 74 4XX -0.00003 0.00000 0.00001 0.00000 -0.00105 75 4YY -0.00005 0.00000 0.00001 0.00000 -0.00123 76 4ZZ 0.00005 0.00000 0.00003 -0.00005 -0.00120 77 4XY -0.00003 0.00000 -0.00002 0.00000 0.00000 78 4XZ 0.00001 0.00002 -0.00005 -0.00001 0.00000 79 4YZ -0.00002 0.00000 -0.00001 -0.00002 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00001 -0.00020 82 2PX -0.00001 0.00001 0.00001 0.00002 -0.00046 83 2PY -0.00002 0.00002 0.00002 0.00003 -0.00082 84 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00001 85 3S -0.00015 0.00003 0.00000 0.00006 0.00113 86 3PX 0.00002 0.00001 0.00000 0.00003 0.00123 87 3PY -0.00020 0.00004 0.00000 0.00004 0.00124 88 3PZ 0.00001 0.00004 0.00000 0.00000 -0.00007 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 -0.00005 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S 0.00001 0.00000 0.00000 0.00000 0.00001 101 3PX 0.00000 -0.00001 0.00000 0.00000 -0.00005 102 3PY -0.00002 0.00004 0.00000 0.00000 -0.00018 103 3PZ 0.00000 0.00000 0.00000 -0.00002 0.00004 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00001 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY -0.00002 0.00003 0.00000 0.00001 0.00000 114 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 3S -0.00012 0.00005 -0.00001 0.00000 0.00013 116 3PX 0.00001 -0.00002 0.00000 0.00001 0.00004 117 3PY -0.00032 0.00008 -0.00001 0.00000 0.00011 118 3PZ 0.00001 0.00000 -0.00001 -0.00002 0.00010 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S -0.00001 -0.00006 -0.00005 -0.00019 0.00000 126 2S -0.00004 0.00049 0.00040 0.00170 0.00000 127 2PX 0.00017 0.00023 0.00023 0.00113 0.00000 128 2PY 0.00047 0.00016 0.00077 0.00060 0.00000 129 2PZ -0.00102 0.00103 0.00004 0.00039 0.00000 130 3S 0.00041 0.00016 0.00017 0.00064 -0.00009 131 3PX 0.00046 0.00035 0.00031 0.00021 0.00000 132 3PY 0.00017 -0.00001 0.00011 -0.00002 0.00002 133 3PZ -0.00098 0.00016 -0.00002 -0.00001 -0.00021 134 4XX 0.00002 0.00001 0.00000 -0.00004 0.00000 135 4YY -0.00020 0.00002 -0.00005 -0.00003 0.00000 136 4ZZ 0.00007 -0.00002 0.00002 -0.00003 0.00000 137 4XY -0.00004 0.00000 0.00000 0.00002 0.00000 138 4XZ 0.00002 0.00001 0.00000 0.00002 0.00000 139 4YZ -0.00002 0.00003 0.00002 0.00001 0.00000 140 10 H 1S -0.00123 0.00031 0.00004 0.00060 0.00000 141 2S -0.00283 0.00004 0.00001 0.00011 0.00021 142 11 H 1S 0.00005 0.00000 0.00001 0.00001 -0.00178 143 2S 0.00020 0.00001 0.00003 0.00006 -0.00170 144 12 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 13 H 1S 0.00010 -0.00001 0.00002 0.00000 0.00000 147 2S 0.00089 -0.00003 0.00008 -0.00006 0.00000 148 14 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 0.00011 154 3PX 0.00001 0.00000 0.00000 0.00000 0.00008 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00003 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00002 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.32138 67 2PX 0.00000 0.33607 68 2PY 0.00000 0.00000 0.41450 69 2PZ 0.00000 0.00000 0.00000 0.41227 70 3S 0.25550 0.00000 0.00000 0.00000 0.40419 71 3PX 0.00000 0.06642 0.00000 0.00000 0.00000 72 3PY 0.00000 0.00000 0.09580 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.07824 0.00000 74 4XX -0.00526 0.00000 0.00000 0.00000 -0.00751 75 4YY -0.00224 0.00000 0.00000 0.00000 0.00105 76 4ZZ -0.00242 0.00000 0.00000 0.00000 -0.00229 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S -0.00016 -0.00044 -0.00088 -0.00001 -0.00053 81 2S 0.00506 0.00899 0.01803 0.00010 0.00548 82 2PX 0.00869 0.00441 0.02558 -0.00007 0.01939 83 2PY 0.01682 0.02649 0.02975 0.00059 0.02434 84 2PZ 0.00031 0.00014 0.00095 0.00135 0.00048 85 3S -0.00328 0.00795 0.02245 0.00054 -0.02294 86 3PX -0.00119 -0.00017 0.00451 0.00032 -0.00808 87 3PY -0.00001 0.01070 0.00432 -0.00004 -0.00922 88 3PZ 0.00041 0.00024 0.00064 0.00358 0.00163 89 4XX 0.00005 -0.00029 0.00054 0.00001 -0.00003 90 4YY 0.00120 0.00133 -0.00027 -0.00002 0.00280 91 4ZZ -0.00020 -0.00027 -0.00052 0.00000 -0.00081 92 4XY 0.00141 0.00043 0.00172 0.00007 0.00093 93 4XZ 0.00004 0.00003 0.00008 0.00037 0.00004 94 4YZ -0.00001 0.00003 -0.00002 0.00075 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 96 2S -0.00005 -0.00002 -0.00018 -0.00003 -0.00007 97 2PX 0.00001 0.00000 0.00002 0.00001 -0.00004 98 2PY -0.00018 -0.00006 -0.00051 -0.00012 -0.00395 99 2PZ -0.00007 -0.00001 -0.00022 -0.00001 -0.00048 100 3S -0.00120 -0.00025 -0.00381 -0.00113 -0.00543 101 3PX 0.00046 -0.00045 0.00090 0.00016 0.00157 102 3PY 0.00097 0.00052 0.00124 -0.00116 0.00449 103 3PZ -0.00053 -0.00001 -0.00138 -0.00005 -0.00077 104 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00007 105 4YY 0.00001 0.00001 0.00006 0.00001 0.00016 106 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 107 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 109 4YZ 0.00000 0.00000 0.00003 0.00000 0.00005 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00013 111 2S -0.00002 -0.00001 -0.00003 -0.00004 -0.00104 112 2PX 0.00000 0.00002 -0.00003 -0.00004 -0.00047 113 2PY -0.00005 -0.00004 0.00004 -0.00013 -0.00069 114 2PZ -0.00005 -0.00003 -0.00010 0.00005 0.00023 115 3S -0.00150 -0.00023 -0.00046 -0.00050 -0.00781 116 3PX -0.00008 -0.00012 -0.00032 -0.00069 -0.00136 117 3PY -0.00107 0.00037 0.00057 -0.00124 -0.00134 118 3PZ -0.00117 -0.00025 -0.00097 0.00071 -0.00033 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00003 121 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00001 122 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00001 0.00000 0.00004 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 126 2S -0.00009 -0.00004 0.00000 -0.00037 -0.00017 127 2PX -0.00006 0.00001 -0.00002 -0.00020 -0.00101 128 2PY -0.00002 -0.00001 -0.00001 -0.00008 0.00034 129 2PZ -0.00029 -0.00009 0.00004 -0.00079 -0.00051 130 3S -0.00031 -0.00066 -0.00050 -0.00344 0.00247 131 3PX -0.00034 -0.00013 -0.00024 -0.00104 -0.00293 132 3PY -0.00019 -0.00004 0.00016 -0.00072 0.00067 133 3PZ -0.00030 -0.00080 -0.00029 -0.00213 0.00362 134 4XX 0.00000 0.00000 0.00000 0.00001 -0.00003 135 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00017 136 4ZZ 0.00003 0.00003 -0.00001 0.00018 0.00042 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00001 0.00000 0.00000 0.00006 0.00003 139 4YZ 0.00000 0.00000 0.00000 0.00001 0.00002 140 10 H 1S -0.00013 -0.00001 -0.00024 -0.00026 -0.00323 141 2S -0.00282 -0.00014 -0.00398 -0.00380 -0.01236 142 11 H 1S 0.03012 0.01105 0.04614 0.04123 0.04660 143 2S 0.01601 0.00601 0.02757 0.02541 0.03736 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00001 0.00002 0.00000 0.00000 0.00015 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 147 2S 0.00012 0.00004 -0.00001 0.00044 0.00085 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00009 149 2S -0.00006 -0.00017 -0.00007 -0.00002 -0.00170 150 2PX -0.00013 -0.00032 -0.00026 -0.00004 -0.00356 151 2PY -0.00009 -0.00013 -0.00003 -0.00001 -0.00230 152 2PZ -0.00001 -0.00001 -0.00003 -0.00001 -0.00048 153 3S -0.00155 -0.00320 -0.00165 -0.00044 -0.01140 154 3PX -0.00087 -0.00165 -0.00245 -0.00030 -0.00705 155 3PY -0.00035 -0.00034 0.00013 0.00011 -0.00285 156 3PZ -0.00024 -0.00028 -0.00038 -0.00032 -0.00200 157 4XX 0.00001 0.00002 0.00002 0.00000 0.00013 158 4YY 0.00000 0.00001 0.00000 0.00000 0.00018 159 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00009 160 4XY 0.00002 0.00006 0.00003 0.00000 0.00019 161 4XZ 0.00000 -0.00001 -0.00001 0.00000 -0.00005 162 4YZ 0.00000 0.00001 0.00000 0.00000 0.00002 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00011 164 2S 0.00011 0.00024 0.00019 0.00001 0.00201 165 16 H 1S -0.00001 -0.00002 0.00000 0.00000 -0.00043 166 2S -0.00050 -0.00079 -0.00029 0.00004 -0.00302 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00002 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00012 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 172 3S 0.00004 0.00003 0.00013 0.00001 0.00085 173 3PX 0.00001 0.00000 0.00003 0.00000 0.00012 174 3PY 0.00007 0.00005 0.00022 0.00003 0.00156 175 3PZ 0.00001 0.00000 0.00002 0.00000 0.00010 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 -0.00005 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00002 71 72 73 74 75 71 3PX 0.05221 72 3PY 0.00000 0.08982 73 3PZ 0.00000 0.00000 0.06428 74 4XX 0.00000 0.00000 0.00000 0.00264 75 4YY 0.00000 0.00000 0.00000 -0.00021 0.00121 76 4ZZ 0.00000 0.00000 0.00000 -0.00028 -0.00008 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S -0.00032 -0.00104 -0.00002 -0.00001 -0.00004 81 2S 0.00455 0.01031 -0.00007 0.00020 0.00096 82 2PX -0.00028 0.01930 0.00042 -0.00052 0.00182 83 2PY 0.01739 0.00612 0.00058 0.00059 -0.00034 84 2PZ 0.00012 0.00080 0.00749 0.00000 0.00006 85 3S 0.00195 0.00932 -0.00007 0.00056 0.00113 86 3PX 0.00287 0.00041 -0.00029 -0.00039 0.00087 87 3PY 0.00826 -0.00004 0.00003 0.00203 -0.00064 88 3PZ -0.00004 0.00113 0.00718 -0.00008 0.00012 89 4XX -0.00011 0.00028 0.00007 0.00003 -0.00008 90 4YY 0.00089 0.00013 0.00006 -0.00011 0.00002 91 4ZZ -0.00068 -0.00048 -0.00004 0.00000 0.00000 92 4XY -0.00005 0.00019 0.00001 -0.00001 0.00000 93 4XZ -0.00001 0.00002 0.00010 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00025 0.00000 0.00001 95 7 C 1S 0.00002 0.00007 0.00000 0.00000 0.00000 96 2S -0.00028 -0.00082 0.00010 0.00000 0.00001 97 2PX 0.00011 -0.00024 0.00007 0.00000 0.00000 98 2PY -0.00105 -0.00342 -0.00057 0.00000 0.00004 99 2PZ -0.00021 -0.00129 0.00009 0.00000 0.00002 100 3S -0.00109 -0.00934 -0.00202 -0.00002 0.00013 101 3PX -0.00100 0.00124 0.00031 -0.00002 0.00003 102 3PY 0.00006 0.00313 -0.00088 -0.00022 0.00030 103 3PZ -0.00010 -0.00289 -0.00052 -0.00001 0.00011 104 4XX 0.00000 -0.00017 -0.00001 0.00000 0.00000 105 4YY 0.00006 0.00031 0.00015 0.00000 0.00000 106 4ZZ -0.00002 0.00001 -0.00005 0.00000 0.00000 107 4XY -0.00002 0.00005 -0.00001 0.00000 0.00000 108 4XZ -0.00001 0.00003 0.00000 0.00000 0.00000 109 4YZ -0.00001 0.00011 0.00000 0.00000 0.00000 110 8 C 1S 0.00002 0.00011 0.00010 0.00000 0.00000 111 2S -0.00015 -0.00062 -0.00085 0.00000 0.00000 112 2PX -0.00005 -0.00061 -0.00065 0.00000 0.00000 113 2PY -0.00022 0.00077 -0.00078 0.00000 0.00000 114 2PZ 0.00030 0.00019 0.00085 0.00000 -0.00001 115 3S -0.00070 -0.00164 -0.00025 0.00011 -0.00006 116 3PX -0.00081 -0.00102 -0.00132 0.00004 0.00001 117 3PY 0.00078 0.00219 -0.00031 -0.00005 0.00008 118 3PZ 0.00015 0.00005 0.00251 0.00010 -0.00017 119 4XX 0.00002 -0.00004 -0.00008 0.00000 0.00000 120 4YY -0.00006 0.00010 -0.00007 0.00000 0.00000 121 4ZZ 0.00000 -0.00012 0.00009 0.00000 0.00000 122 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 123 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 124 4YZ 0.00000 0.00005 0.00001 0.00000 0.00000 125 9 C 1S 0.00001 -0.00002 0.00012 0.00000 0.00000 126 2S -0.00022 0.00027 -0.00220 0.00000 0.00000 127 2PX -0.00005 -0.00010 -0.00097 0.00000 0.00000 128 2PY 0.00008 -0.00056 0.00000 0.00000 0.00000 129 2PZ -0.00012 0.00137 -0.00327 0.00000 0.00000 130 3S -0.00146 -0.00054 -0.00586 -0.00007 -0.00001 131 3PX -0.00051 -0.00051 -0.00201 0.00001 -0.00011 132 3PY 0.00013 -0.00160 -0.00067 -0.00002 0.00001 133 3PZ -0.00092 0.00122 -0.00324 -0.00012 0.00002 134 4XX -0.00001 -0.00001 0.00003 0.00000 0.00000 135 4YY -0.00004 0.00001 -0.00034 0.00000 0.00000 136 4ZZ 0.00012 -0.00004 0.00075 0.00000 0.00000 137 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 138 4XZ -0.00001 -0.00001 0.00009 0.00000 0.00000 139 4YZ 0.00001 -0.00004 0.00000 0.00000 0.00000 140 10 H 1S -0.00008 -0.00116 -0.00210 0.00000 0.00002 141 2S -0.00031 -0.00408 -0.00575 0.00022 0.00031 142 11 H 1S 0.00673 0.02322 0.01739 -0.00110 0.00101 143 2S 0.00484 0.01874 0.01428 -0.00187 0.00159 144 12 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 145 2S 0.00007 0.00002 0.00023 0.00000 0.00000 146 13 H 1S 0.00001 -0.00001 0.00018 0.00000 0.00000 147 2S 0.00021 -0.00009 0.00213 0.00000 0.00000 148 14 C 1S 0.00005 0.00004 0.00000 0.00000 0.00000 149 2S -0.00082 -0.00070 0.00003 0.00001 0.00000 150 2PX -0.00158 -0.00263 0.00111 0.00002 0.00000 151 2PY 0.00053 -0.00036 -0.00018 0.00004 -0.00001 152 2PZ 0.00070 -0.00084 0.00003 0.00002 -0.00001 153 3S -0.00488 -0.00525 0.00010 0.00019 -0.00013 154 3PX -0.00309 -0.00427 0.00196 -0.00006 0.00007 155 3PY 0.00244 -0.00002 -0.00050 0.00028 -0.00008 156 3PZ 0.00139 -0.00197 0.00053 0.00018 -0.00009 157 4XX 0.00002 0.00015 0.00005 0.00000 0.00000 158 4YY 0.00009 0.00009 -0.00003 0.00000 0.00000 159 4ZZ -0.00004 -0.00009 -0.00001 0.00000 0.00000 160 4XY 0.00019 0.00006 0.00000 0.00000 0.00000 161 4XZ -0.00001 -0.00004 0.00000 0.00000 0.00000 162 4YZ 0.00004 0.00000 0.00000 0.00000 0.00000 163 15 H 1S 0.00006 0.00011 -0.00001 0.00000 0.00000 164 2S 0.00111 0.00145 -0.00003 -0.00001 0.00001 165 16 H 1S -0.00057 0.00005 -0.00025 0.00000 0.00000 166 2S -0.00255 -0.00039 -0.00058 -0.00003 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00002 0.00006 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 170 2PY 0.00005 0.00026 -0.00002 0.00000 0.00000 171 2PZ 0.00001 0.00000 0.00001 0.00000 0.00000 172 3S 0.00030 0.00148 0.00009 0.00000 0.00000 173 3PX -0.00008 0.00006 0.00009 0.00000 0.00000 174 3PY 0.00033 0.00229 -0.00009 0.00000 0.00000 175 3PZ 0.00011 -0.00012 0.00002 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 -0.00010 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 76 77 78 79 80 76 4ZZ 0.00165 77 4XY 0.00000 0.00188 78 4XZ 0.00000 0.00000 0.00201 79 4YZ 0.00000 0.00000 0.00000 0.00174 80 6 C 1S 0.00000 -0.00009 0.00000 0.00000 2.05312 81 2S -0.00038 0.00168 0.00000 0.00005 -0.01436 82 2PX -0.00033 0.00046 -0.00001 0.00011 0.00000 83 2PY -0.00061 0.00192 0.00007 0.00009 0.00000 84 2PZ 0.00001 0.00009 0.00045 0.00074 0.00000 85 3S -0.00096 0.00094 0.00004 0.00001 -0.02871 86 3PX -0.00016 -0.00006 0.00000 -0.00004 0.00000 87 3PY -0.00112 0.00024 0.00004 0.00002 0.00000 88 3PZ -0.00003 0.00002 0.00031 0.00026 0.00000 89 4XX -0.00001 -0.00002 0.00000 -0.00001 -0.00123 90 4YY 0.00000 0.00001 -0.00001 0.00002 -0.00122 91 4ZZ 0.00001 -0.00003 0.00000 0.00000 -0.00108 92 4XY -0.00002 0.00007 0.00000 0.00000 0.00000 93 4XZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 94 4YZ 0.00000 -0.00001 -0.00001 -0.00006 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00001 -0.00028 97 2PX 0.00000 0.00000 0.00000 0.00000 -0.00024 98 2PY 0.00000 0.00000 0.00000 0.00004 -0.00078 99 2PZ 0.00000 0.00000 0.00000 0.00001 -0.00068 100 3S 0.00005 0.00000 0.00000 0.00010 -0.00017 101 3PX 0.00000 -0.00004 -0.00001 -0.00002 -0.00034 102 3PY 0.00002 0.00000 0.00002 0.00016 0.00044 103 3PZ -0.00003 -0.00001 0.00000 0.00001 -0.00024 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 -0.00002 106 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 107 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 108 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 109 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00009 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 3S -0.00009 0.00001 0.00000 0.00002 0.00004 116 3PX -0.00008 0.00000 -0.00001 -0.00003 0.00012 117 3PY -0.00010 0.00005 -0.00003 -0.00001 0.00000 118 3PZ -0.00005 0.00002 0.00001 0.00006 0.00003 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00002 0.00000 0.00001 0.00001 0.00000 127 2PX 0.00005 0.00000 -0.00001 0.00000 0.00000 128 2PY 0.00001 0.00000 0.00001 0.00000 0.00000 129 2PZ 0.00007 0.00000 0.00007 0.00002 0.00000 130 3S 0.00022 0.00001 0.00008 0.00004 0.00000 131 3PX 0.00032 -0.00001 0.00006 0.00002 0.00003 132 3PY 0.00003 0.00000 0.00002 -0.00002 0.00000 133 3PZ 0.00019 -0.00001 0.00023 0.00004 0.00000 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00001 0.00000 0.00000 0.00004 0.00000 141 2S -0.00042 0.00001 -0.00002 0.00012 0.00000 142 11 H 1S 0.00017 0.00094 0.00102 0.00347 0.00000 143 2S 0.00012 0.00024 0.00023 0.00073 0.00014 144 12 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 13 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 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 -0.00085 150 2PX 0.00000 0.00003 0.00002 0.00002 -0.00290 151 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00100 153 3S 0.00007 -0.00002 0.00001 0.00004 -0.00187 154 3PX 0.00010 0.00006 0.00008 0.00008 -0.00236 155 3PY -0.00005 -0.00001 -0.00002 0.00000 -0.00003 156 3PZ -0.00001 -0.00003 0.00006 0.00002 -0.00076 157 4XX 0.00000 0.00000 0.00000 0.00000 -0.00015 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00018 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00020 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00003 -0.00002 0.00000 0.00000 0.00021 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00009 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00014 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00003 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00001 81 82 83 84 85 81 2S 0.33783 82 2PX 0.00000 0.41525 83 2PY 0.00000 0.00000 0.38665 84 2PZ 0.00000 0.00000 0.00000 0.37817 85 3S 0.20039 0.00000 0.00000 0.00000 0.25457 86 3PX 0.00000 0.02778 0.00000 0.00000 0.00000 87 3PY 0.00000 0.00000 0.07520 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.08021 0.00000 89 4XX -0.00339 0.00000 0.00000 0.00000 -0.00252 90 4YY -0.00482 0.00000 0.00000 0.00000 -0.00220 91 4ZZ -0.00710 0.00000 0.00000 0.00000 -0.00426 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S -0.00028 -0.00023 -0.00075 -0.00070 0.00012 96 2S 0.00725 0.00420 0.01353 0.01257 0.00325 97 2PX 0.00409 -0.00050 0.00696 0.00929 0.00765 98 2PY 0.01425 0.00503 0.01035 0.02425 0.01544 99 2PZ 0.01233 0.00828 0.02625 0.00547 0.01468 100 3S 0.00687 0.00504 0.01749 0.01791 0.00667 101 3PX 0.00488 0.00875 0.00410 0.00131 0.00352 102 3PY -0.00128 0.00909 -0.00012 0.01474 0.00308 103 3PZ 0.00571 0.00390 0.01010 -0.00030 0.00290 104 4XX -0.00029 -0.00003 -0.00033 -0.00030 -0.00119 105 4YY 0.00042 0.00029 -0.00065 0.00101 0.00125 106 4ZZ 0.00042 0.00028 0.00108 -0.00061 0.00092 107 4XY 0.00051 0.00007 0.00029 0.00091 0.00035 108 4XZ 0.00034 0.00008 0.00057 0.00006 0.00009 109 4YZ 0.00135 0.00083 0.00059 0.00041 0.00072 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 111 2S -0.00005 -0.00011 -0.00003 -0.00010 -0.00123 112 2PX -0.00015 -0.00025 -0.00006 -0.00033 -0.00390 113 2PY 0.00000 0.00002 0.00000 0.00000 0.00005 114 2PZ -0.00009 -0.00020 -0.00005 -0.00008 -0.00237 115 3S -0.00057 -0.00356 -0.00046 -0.00287 -0.00663 116 3PX -0.00156 -0.00272 -0.00011 -0.00417 -0.01418 117 3PY -0.00002 0.00049 -0.00052 0.00016 0.00026 118 3PZ -0.00049 -0.00276 -0.00044 -0.00019 -0.00676 119 4XX 0.00000 -0.00001 0.00000 0.00002 0.00002 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 121 4ZZ 0.00000 0.00001 0.00001 0.00000 0.00004 122 4XY 0.00000 0.00000 0.00000 0.00001 0.00003 123 4XZ 0.00001 0.00003 0.00001 0.00002 0.00005 124 4YZ 0.00000 0.00001 0.00000 0.00001 0.00003 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 126 2S 0.00000 0.00000 0.00000 -0.00001 -0.00028 127 2PX -0.00002 -0.00003 -0.00002 -0.00003 -0.00076 128 2PY 0.00000 0.00000 0.00000 -0.00001 0.00004 129 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00037 130 3S -0.00030 -0.00038 -0.00013 -0.00018 -0.00222 131 3PX -0.00086 -0.00040 -0.00065 -0.00057 -0.00267 132 3PY -0.00001 -0.00011 -0.00004 -0.00003 0.00031 133 3PZ -0.00003 -0.00016 0.00013 0.00017 -0.00068 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 136 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00004 137 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 138 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00008 141 2S 0.00009 0.00007 0.00030 0.00000 0.00121 142 11 H 1S -0.00011 -0.00002 -0.00037 -0.00006 -0.00361 143 2S -0.00226 0.00009 -0.00583 -0.00140 -0.01195 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00008 145 2S 0.00008 0.00012 0.00010 0.00016 0.00108 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 148 14 C 1S -0.00088 -0.00292 -0.00004 -0.00100 -0.00003 149 2S 0.01564 0.03607 0.00048 0.01257 0.00550 150 2PX 0.03817 0.03332 0.00313 0.05066 0.01592 151 2PY 0.00036 0.00312 0.01025 -0.00163 0.00003 152 2PZ 0.01256 0.05071 -0.00152 0.00029 0.00791 153 3S 0.02534 0.04576 0.00084 0.01426 0.00035 154 3PX 0.02442 0.00284 0.00188 0.02639 0.00526 155 3PY 0.00008 0.00175 0.01552 -0.00110 -0.00031 156 3PZ 0.00747 0.02692 -0.00102 0.01408 0.00538 157 4XX 0.00175 -0.00102 0.00010 0.00262 0.00136 158 4YY -0.00072 -0.00120 0.00002 -0.00040 -0.00119 159 4ZZ -0.00033 0.00026 0.00000 -0.00031 0.00002 160 4XY 0.00004 0.00003 0.00174 0.00004 0.00001 161 4XZ 0.00144 0.00221 0.00006 -0.00005 0.00036 162 4YZ 0.00004 0.00010 0.00061 0.00000 0.00002 163 15 H 1S -0.00022 -0.00055 -0.00012 -0.00007 -0.00141 164 2S -0.00326 -0.00629 -0.00278 -0.00028 -0.00506 165 16 H 1S -0.00023 -0.00039 -0.00004 -0.00028 -0.00226 166 2S -0.00345 -0.00352 -0.00123 -0.00381 -0.00576 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00004 168 2S -0.00006 0.00000 -0.00018 -0.00007 -0.00100 169 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 170 2PY -0.00018 0.00000 -0.00041 -0.00023 -0.00252 171 2PZ -0.00006 0.00000 -0.00014 0.00000 -0.00173 172 3S -0.00197 0.00000 -0.00391 -0.00018 -0.00435 173 3PX 0.00000 -0.00004 0.00000 0.00000 0.00000 174 3PY -0.00228 0.00000 -0.00261 -0.00112 -0.00449 175 3PZ -0.00076 0.00000 -0.00086 0.00024 -0.00281 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00011 177 4YY 0.00001 0.00000 0.00003 0.00003 0.00014 178 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00011 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00001 0.00000 0.00005 0.00001 0.00013 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 183 2S 0.00009 0.00001 0.00028 0.00013 0.00171 184 19 H 1S 0.00000 0.00000 -0.00001 0.00000 -0.00066 185 2S -0.00027 0.00013 -0.00096 -0.00025 -0.00442 86 87 88 89 90 86 3PX 0.06116 87 3PY 0.00000 0.07789 88 3PZ 0.00000 0.00000 0.08337 89 4XX 0.00000 0.00000 0.00000 0.00101 90 4YY 0.00000 0.00000 0.00000 -0.00002 0.00119 91 4ZZ 0.00000 0.00000 0.00000 -0.00008 0.00003 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00049 -0.00034 0.00035 0.00000 -0.00002 96 2S -0.00385 0.00826 0.00043 -0.00024 0.00040 97 2PX 0.00744 0.00577 0.00269 -0.00003 0.00030 98 2PY 0.00750 -0.00001 0.01353 -0.00030 -0.00084 99 2PZ 0.00224 0.01080 -0.00015 -0.00021 0.00086 100 3S -0.00323 0.00528 0.00311 -0.00082 0.00041 101 3PX 0.00070 0.00096 0.00336 -0.00022 -0.00059 102 3PY -0.00146 -0.00040 0.00195 -0.00084 0.00037 103 3PZ 0.00088 0.00367 0.00342 0.00017 0.00106 104 4XX 0.00004 -0.00073 0.00048 0.00001 -0.00004 105 4YY -0.00036 -0.00045 0.00076 0.00002 0.00003 106 4ZZ 0.00086 0.00111 -0.00061 -0.00003 -0.00005 107 4XY 0.00001 0.00000 0.00025 0.00000 -0.00001 108 4XZ -0.00013 0.00000 -0.00001 0.00000 -0.00003 109 4YZ 0.00008 0.00000 -0.00001 -0.00006 0.00000 110 8 C 1S -0.00023 0.00006 -0.00001 0.00000 0.00000 111 2S 0.00142 -0.00048 -0.00007 0.00001 0.00000 112 2PX 0.00256 -0.00125 -0.00093 0.00003 -0.00001 113 2PY -0.00043 -0.00015 -0.00023 0.00000 0.00000 114 2PZ -0.00064 -0.00063 -0.00002 0.00002 0.00000 115 3S 0.00620 -0.00187 0.00101 0.00022 -0.00011 116 3PX 0.00435 -0.00191 -0.00301 0.00030 -0.00034 117 3PY -0.00007 -0.00290 0.00018 -0.00002 -0.00001 118 3PZ -0.00099 -0.00152 0.00077 0.00031 -0.00004 119 4XX -0.00001 -0.00004 0.00013 0.00000 0.00000 120 4YY -0.00012 0.00002 -0.00008 0.00000 0.00000 121 4ZZ 0.00005 0.00003 0.00001 0.00000 0.00000 122 4XY 0.00003 -0.00002 0.00004 0.00000 0.00000 123 4XZ 0.00013 0.00000 0.00002 0.00000 0.00000 124 4YZ 0.00000 -0.00002 0.00002 0.00000 0.00000 125 9 C 1S 0.00002 0.00001 0.00001 0.00000 0.00000 126 2S -0.00044 -0.00019 -0.00038 0.00000 0.00000 127 2PX -0.00001 -0.00016 -0.00006 0.00000 0.00000 128 2PY 0.00021 0.00000 -0.00020 0.00000 0.00000 129 2PZ -0.00088 -0.00033 -0.00021 0.00000 0.00000 130 3S -0.00217 -0.00052 -0.00129 -0.00001 0.00002 131 3PX 0.00014 -0.00076 -0.00042 -0.00009 0.00000 132 3PY -0.00001 -0.00050 -0.00028 0.00001 0.00001 133 3PZ -0.00236 -0.00053 -0.00005 0.00000 0.00001 134 4XX 0.00001 0.00000 0.00003 0.00000 0.00000 135 4YY 0.00002 0.00001 -0.00002 0.00000 0.00000 136 4ZZ 0.00002 -0.00002 -0.00001 0.00000 0.00000 137 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 138 4XZ 0.00002 0.00000 0.00002 0.00000 0.00000 139 4YZ 0.00001 -0.00001 0.00000 0.00000 0.00000 140 10 H 1S 0.00003 0.00016 -0.00005 0.00000 0.00000 141 2S 0.00012 0.00212 -0.00026 0.00000 0.00000 142 11 H 1S -0.00070 -0.00304 0.00018 0.00000 0.00005 143 2S -0.00147 -0.00946 -0.00035 -0.00016 0.00035 144 12 H 1S 0.00004 0.00006 0.00006 0.00000 0.00000 145 2S 0.00039 0.00075 0.00075 0.00000 0.00000 146 13 H 1S 0.00001 0.00000 0.00001 0.00000 0.00000 147 2S 0.00015 0.00004 0.00015 0.00000 0.00000 148 14 C 1S -0.00023 0.00002 -0.00016 -0.00013 0.00001 149 2S 0.00418 -0.00005 0.00227 0.00144 -0.00072 150 2PX -0.00434 0.00091 0.00947 -0.00154 -0.00118 151 2PY 0.00126 0.01179 -0.00100 0.00007 0.00002 152 2PZ 0.00761 -0.00125 0.01621 0.00222 -0.00039 153 3S -0.00863 -0.00030 -0.00203 0.00212 -0.00294 154 3PX 0.00627 0.00114 0.01098 -0.00132 -0.00163 155 3PY 0.00147 0.01651 -0.00110 0.00014 -0.00003 156 3PZ 0.00923 -0.00137 0.03469 0.00185 -0.00062 157 4XX -0.00133 0.00009 0.00122 -0.00008 0.00000 158 4YY 0.00073 -0.00001 0.00017 0.00002 0.00004 159 4ZZ 0.00093 -0.00005 -0.00073 -0.00001 0.00000 160 4XY 0.00001 0.00052 -0.00001 0.00002 0.00000 161 4XZ 0.00002 -0.00001 0.00025 0.00002 -0.00005 162 4YZ 0.00000 0.00023 0.00001 0.00001 0.00000 163 15 H 1S 0.00216 -0.00002 0.00048 0.00005 0.00001 164 2S 0.00333 -0.00209 0.00142 0.00031 0.00034 165 16 H 1S 0.00262 -0.00047 0.00118 0.00000 0.00000 166 2S 0.00379 -0.00190 -0.00013 -0.00018 0.00002 167 17 C 1S 0.00000 -0.00002 0.00003 0.00000 0.00000 168 2S 0.00000 0.00039 -0.00047 0.00000 0.00002 169 2PX -0.00108 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00179 -0.00367 -0.00001 0.00005 171 2PZ 0.00000 -0.00101 -0.00021 0.00000 0.00004 172 3S 0.00000 0.00027 -0.00346 -0.00005 0.00041 173 3PX -0.00282 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00325 -0.00657 -0.00024 0.00036 175 3PZ 0.00000 -0.00187 0.00001 0.00014 0.00038 176 4XX 0.00000 -0.00021 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00020 0.00011 0.00000 0.00000 178 4ZZ 0.00000 0.00010 0.00002 0.00000 0.00000 179 4XY -0.00004 0.00000 0.00000 0.00000 0.00000 180 4XZ -0.00003 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00018 0.00001 0.00000 0.00000 182 18 H 1S 0.00003 0.00007 0.00011 0.00000 0.00000 183 2S 0.00020 0.00124 0.00102 0.00000 -0.00001 184 19 H 1S -0.00035 -0.00092 0.00005 0.00000 0.00000 185 2S -0.00144 -0.00471 -0.00009 0.00003 -0.00004 91 92 93 94 95 91 4ZZ 0.00125 92 4XY 0.00000 0.00124 93 4XZ 0.00000 0.00000 0.00069 94 4YZ 0.00000 0.00000 0.00000 0.00079 95 7 C 1S -0.00002 -0.00003 -0.00002 -0.00009 2.05313 96 2S 0.00036 0.00053 0.00033 0.00131 -0.01404 97 2PX 0.00040 0.00005 0.00006 0.00070 0.00000 98 2PY 0.00097 0.00031 0.00066 0.00060 0.00000 99 2PZ -0.00058 0.00097 0.00009 0.00034 0.00000 100 3S 0.00110 0.00037 0.00014 0.00070 -0.02923 101 3PX 0.00058 0.00000 -0.00007 0.00006 0.00000 102 3PY 0.00109 0.00000 -0.00002 0.00000 0.00000 103 3PZ -0.00087 0.00025 0.00000 -0.00001 0.00000 104 4XX 0.00001 0.00000 0.00000 -0.00004 -0.00116 105 4YY -0.00012 0.00000 -0.00004 0.00000 -0.00124 106 4ZZ 0.00001 -0.00004 0.00001 -0.00003 -0.00104 107 4XY -0.00006 0.00000 0.00000 0.00002 0.00000 108 4XZ -0.00001 0.00000 0.00000 0.00001 0.00000 109 4YZ 0.00001 -0.00001 0.00002 0.00005 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00001 0.00000 -0.00018 112 2PX 0.00002 0.00001 0.00004 0.00000 -0.00108 113 2PY 0.00000 0.00000 0.00000 0.00000 -0.00012 114 2PZ 0.00000 0.00001 0.00002 0.00000 -0.00023 115 3S 0.00004 0.00001 0.00011 -0.00003 -0.00019 116 3PX 0.00018 0.00002 0.00013 -0.00002 -0.00157 117 3PY 0.00004 -0.00001 0.00000 -0.00002 -0.00024 118 3PZ -0.00006 0.00004 0.00008 -0.00001 -0.00028 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00007 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 123 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00005 124 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S -0.00001 -0.00001 -0.00002 0.00000 0.00005 131 3PX 0.00011 0.00000 0.00002 0.00003 0.00008 132 3PY -0.00004 0.00000 0.00000 0.00000 0.00011 133 3PZ 0.00001 0.00000 -0.00002 -0.00002 0.00005 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S -0.00001 0.00000 0.00000 -0.00001 0.00000 142 11 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 143 2S 0.00016 -0.00008 0.00001 0.00016 0.00000 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00013 146 13 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 14 C 1S 0.00001 0.00000 -0.00015 -0.00001 0.00000 149 2S -0.00028 0.00002 0.00128 0.00005 0.00000 150 2PX 0.00024 0.00002 0.00167 0.00012 0.00000 151 2PY 0.00000 0.00207 0.00006 0.00063 0.00000 152 2PZ -0.00035 0.00003 -0.00010 0.00000 0.00000 153 3S -0.00047 -0.00001 0.00061 0.00004 0.00010 154 3PX 0.00118 0.00000 0.00010 0.00003 0.00012 155 3PY -0.00008 0.00078 -0.00001 0.00027 0.00001 156 3PZ -0.00118 -0.00002 0.00023 0.00000 0.00005 157 4XX -0.00002 0.00002 0.00004 0.00001 0.00000 158 4YY 0.00001 0.00000 -0.00002 0.00000 0.00000 159 4ZZ 0.00001 -0.00002 0.00000 0.00000 0.00000 160 4XY -0.00002 -0.00019 -0.00002 -0.00006 0.00000 161 4XZ -0.00001 -0.00002 0.00002 0.00000 0.00000 162 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 163 15 H 1S -0.00001 0.00008 -0.00001 0.00001 0.00000 164 2S -0.00018 0.00033 -0.00008 0.00004 0.00002 165 16 H 1S 0.00004 0.00004 0.00005 0.00002 0.00000 166 2S 0.00046 0.00017 0.00012 0.00009 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 -0.00084 169 2PX 0.00000 0.00000 0.00000 0.00000 -0.00066 170 2PY 0.00002 0.00000 0.00000 0.00003 -0.00308 171 2PZ -0.00001 0.00000 0.00000 0.00000 -0.00017 172 3S -0.00001 0.00000 0.00000 0.00003 -0.00207 173 3PX 0.00000 0.00004 -0.00002 0.00000 -0.00061 174 3PY 0.00034 0.00000 0.00000 0.00006 -0.00260 175 3PZ -0.00027 0.00000 0.00000 0.00000 -0.00011 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 177 4YY 0.00000 0.00000 0.00000 0.00000 -0.00018 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 179 4XY 0.00000 0.00000 0.00000 0.00000 -0.00013 180 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 181 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00021 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 0.00000 -0.00001 0.00020 96 97 98 99 100 96 2S 0.33457 97 2PX 0.00000 0.38242 98 2PY 0.00000 0.00000 0.42099 99 2PZ 0.00000 0.00000 0.00000 0.37319 100 3S 0.19705 0.00000 0.00000 0.00000 0.24773 101 3PX 0.00000 0.04969 0.00000 0.00000 0.00000 102 3PY 0.00000 0.00000 0.03926 0.00000 0.00000 103 3PZ 0.00000 0.00000 0.00000 0.09446 0.00000 104 4XX -0.00533 0.00000 0.00000 0.00000 -0.00353 105 4YY -0.00320 0.00000 0.00000 0.00000 -0.00223 106 4ZZ -0.00784 0.00000 0.00000 0.00000 -0.00429 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S -0.00021 -0.00108 -0.00011 -0.00022 0.00094 111 2S 0.00521 0.02015 0.00198 0.00405 -0.00229 112 2PX 0.02039 0.03979 0.00788 0.01702 0.02102 113 2PY 0.00249 0.00833 -0.00064 0.00156 0.00156 114 2PZ 0.00470 0.01530 0.00084 -0.00027 0.00371 115 3S 0.00327 0.03395 0.00312 0.00697 -0.04318 116 3PX 0.01662 0.01568 0.00617 0.01239 0.01634 117 3PY 0.00252 0.00575 0.00333 0.00105 0.00368 118 3PZ 0.00317 0.01270 0.00040 0.00134 -0.00406 119 4XX 0.00142 -0.00023 0.00064 0.00140 0.00218 120 4YY -0.00029 -0.00059 0.00002 -0.00020 -0.00095 121 4ZZ -0.00022 -0.00004 0.00000 -0.00006 -0.00035 122 4XY 0.00053 0.00056 0.00035 0.00033 0.00018 123 4XZ 0.00084 0.00151 0.00033 0.00003 0.00035 124 4YZ 0.00010 0.00036 0.00009 0.00000 0.00007 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00006 126 2S -0.00004 -0.00005 -0.00013 -0.00007 -0.00078 127 2PX -0.00006 -0.00001 0.00000 -0.00001 -0.00064 128 2PY -0.00014 -0.00016 -0.00019 -0.00008 -0.00126 129 2PZ -0.00003 -0.00008 -0.00007 -0.00002 -0.00092 130 3S -0.00050 -0.00056 -0.00189 -0.00090 0.00055 131 3PX -0.00147 -0.00022 0.00045 -0.00004 -0.00217 132 3PY -0.00190 -0.00032 -0.00229 -0.00181 -0.00271 133 3PZ -0.00017 -0.00078 -0.00041 0.00004 -0.00080 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 135 4YY 0.00000 0.00001 0.00001 0.00001 0.00001 136 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00005 137 4XY 0.00001 0.00002 0.00004 0.00003 0.00010 138 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 139 4YZ 0.00000 0.00001 0.00000 0.00000 0.00001 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00004 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00007 143 2S 0.00008 0.00000 0.00022 0.00014 0.00099 144 12 H 1S -0.00012 -0.00027 -0.00001 -0.00019 -0.00234 145 2S -0.00213 -0.00316 -0.00037 -0.00317 -0.00719 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00006 147 2S 0.00006 0.00009 0.00008 0.00012 0.00068 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00006 149 2S -0.00005 -0.00011 -0.00004 -0.00010 -0.00138 150 2PX -0.00012 -0.00010 -0.00006 -0.00023 -0.00186 151 2PY -0.00003 0.00000 0.00000 -0.00004 -0.00128 152 2PZ -0.00008 -0.00023 -0.00006 -0.00007 -0.00184 153 3S -0.00206 -0.00359 0.00062 -0.00175 -0.00777 154 3PX -0.00184 -0.00105 0.00049 -0.00246 -0.00564 155 3PY -0.00033 0.00038 -0.00009 -0.00015 -0.00202 156 3PZ -0.00091 -0.00284 0.00004 0.00027 -0.00292 157 4XX 0.00000 0.00000 0.00000 0.00001 -0.00012 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00003 159 4ZZ 0.00001 0.00002 0.00001 0.00001 0.00020 160 4XY 0.00001 0.00001 0.00000 0.00003 0.00010 161 4XZ 0.00000 0.00001 0.00001 0.00001 0.00004 162 4YZ 0.00000 0.00001 0.00000 0.00001 0.00006 163 15 H 1S 0.00000 -0.00001 0.00000 -0.00001 -0.00056 164 2S -0.00030 -0.00042 -0.00001 -0.00053 -0.00376 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 166 2S 0.00009 0.00013 0.00011 0.00018 0.00172 167 17 C 1S -0.00088 -0.00068 -0.00306 -0.00016 -0.00008 168 2S 0.01579 0.00829 0.03863 0.00186 0.00523 169 2PX 0.00888 0.00205 0.03187 -0.00312 0.00292 170 2PY 0.04055 0.03092 0.04513 0.01236 0.02067 171 2PZ 0.00214 -0.00294 0.01270 0.01788 0.00148 172 3S 0.02737 0.01060 0.04363 0.00150 0.01027 173 3PX 0.00581 0.00997 0.01540 -0.00227 0.00124 174 3PY 0.02637 0.01549 0.00528 0.00634 0.01410 175 3PZ 0.00122 -0.00190 0.00716 0.03054 0.00150 176 4XX -0.00057 -0.00006 -0.00065 -0.00007 -0.00085 177 4YY 0.00203 0.00183 -0.00050 0.00046 0.00186 178 4ZZ -0.00061 -0.00024 -0.00101 0.00007 -0.00084 179 4XY 0.00111 0.00019 0.00176 0.00019 0.00025 180 4XZ 0.00011 0.00000 0.00031 0.00028 0.00004 181 4YZ 0.00022 0.00018 0.00043 0.00147 0.00004 182 18 H 1S -0.00023 -0.00001 -0.00056 -0.00014 -0.00231 183 2S -0.00344 0.00008 -0.00631 -0.00226 -0.00524 184 19 H 1S -0.00023 -0.00032 -0.00040 0.00000 -0.00154 185 2S -0.00341 -0.00523 -0.00380 -0.00019 -0.00554 101 102 103 104 105 101 3PX 0.06723 102 3PY 0.00000 0.06589 103 3PZ 0.00000 0.00000 0.09904 104 4XX 0.00000 0.00000 0.00000 0.00140 105 4YY 0.00000 0.00000 0.00000 -0.00014 0.00117 106 4ZZ 0.00000 0.00000 0.00000 0.00005 -0.00001 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00135 0.00056 0.00006 -0.00008 0.00000 111 2S 0.00116 -0.00228 0.00122 0.00162 -0.00027 112 2PX 0.00429 0.00163 0.00271 -0.00009 -0.00063 113 2PY 0.00195 -0.00200 0.00043 0.00073 0.00002 114 2PZ 0.00145 -0.00083 -0.00077 0.00128 -0.00020 115 3S -0.01982 -0.01192 0.00600 0.00482 -0.00130 116 3PX 0.00010 -0.00056 0.00132 0.00013 -0.00133 117 3PY 0.00339 -0.00484 -0.00093 0.00019 -0.00022 118 3PZ -0.00230 -0.00269 0.00377 0.00136 -0.00013 119 4XX -0.00033 0.00061 0.00117 0.00001 -0.00005 120 4YY 0.00023 -0.00016 -0.00039 -0.00006 0.00002 121 4ZZ -0.00004 -0.00008 -0.00033 0.00004 0.00000 122 4XY 0.00008 0.00016 0.00004 0.00000 0.00000 123 4XZ 0.00015 0.00002 0.00031 -0.00004 -0.00001 124 4YZ 0.00010 0.00004 0.00007 -0.00003 0.00000 125 9 C 1S 0.00005 0.00015 0.00007 0.00000 0.00000 126 2S -0.00025 -0.00150 -0.00106 0.00000 0.00001 127 2PX -0.00018 0.00095 -0.00052 0.00000 -0.00001 128 2PY 0.00016 -0.00097 -0.00083 -0.00002 0.00004 129 2PZ -0.00072 -0.00086 -0.00004 0.00000 0.00002 130 3S 0.00049 -0.00196 -0.00394 -0.00017 0.00018 131 3PX 0.00047 0.00231 -0.00024 -0.00004 -0.00008 132 3PY 0.00197 -0.00106 -0.00534 -0.00034 0.00034 133 3PZ -0.00081 -0.00056 -0.00015 -0.00005 0.00011 134 4XX 0.00000 0.00013 0.00001 0.00000 0.00000 135 4YY 0.00002 0.00005 -0.00005 0.00000 0.00000 136 4ZZ 0.00009 -0.00009 0.00001 0.00000 0.00000 137 4XY 0.00001 0.00003 0.00006 0.00000 0.00000 138 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 139 4YZ 0.00001 -0.00002 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 141 2S 0.00002 0.00013 -0.00001 0.00000 0.00000 142 11 H 1S 0.00000 0.00010 0.00007 0.00000 0.00000 143 2S 0.00001 0.00104 0.00099 0.00000 -0.00001 144 12 H 1S -0.00127 -0.00009 -0.00066 0.00002 0.00000 145 2S -0.00471 -0.00021 -0.00356 0.00000 -0.00002 146 13 H 1S 0.00007 0.00000 0.00004 0.00000 0.00000 147 2S 0.00036 0.00007 0.00095 0.00001 -0.00001 148 14 C 1S -0.00005 0.00005 0.00002 0.00000 0.00000 149 2S 0.00090 -0.00099 -0.00037 0.00001 0.00000 150 2PX 0.00272 -0.00341 -0.00166 0.00002 -0.00001 151 2PY -0.00017 0.00000 -0.00052 0.00000 0.00000 152 2PZ 0.00121 -0.00244 -0.00023 0.00003 0.00001 153 3S 0.00352 -0.00475 -0.00271 0.00028 -0.00012 154 3PX 0.00327 -0.00485 -0.00459 0.00021 -0.00036 155 3PY 0.00050 -0.00042 -0.00086 -0.00003 -0.00007 156 3PZ 0.00031 -0.00396 0.00066 0.00030 0.00023 157 4XX -0.00001 -0.00008 0.00003 0.00000 0.00000 158 4YY -0.00018 0.00008 0.00005 0.00000 0.00000 159 4ZZ 0.00011 0.00010 -0.00001 0.00000 0.00000 160 4XY 0.00003 0.00000 0.00008 0.00000 0.00000 161 4XZ 0.00008 -0.00003 0.00001 0.00000 0.00000 162 4YZ 0.00000 -0.00001 0.00002 0.00000 0.00000 163 15 H 1S -0.00092 0.00001 -0.00012 0.00000 0.00000 164 2S -0.00374 0.00002 -0.00096 0.00000 0.00002 165 16 H 1S -0.00003 0.00013 0.00008 0.00000 0.00000 166 2S 0.00004 0.00119 0.00093 -0.00001 0.00000 167 17 C 1S 0.00004 -0.00080 -0.00011 0.00002 -0.00015 168 2S 0.00037 0.01047 0.00098 -0.00057 0.00174 169 2PX 0.01172 0.00536 -0.00237 -0.00006 0.00189 170 2PY 0.00250 -0.00383 0.00504 -0.00069 -0.00148 171 2PZ -0.00265 0.00239 0.02831 -0.00001 0.00040 172 3S -0.00531 -0.00423 0.00046 -0.00197 0.00245 173 3PX 0.02209 0.00517 -0.00292 -0.00070 0.00124 174 3PY 0.00251 0.00324 0.00519 -0.00058 -0.00103 175 3PZ -0.00307 0.00253 0.04817 -0.00022 0.00053 176 4XX -0.00021 0.00088 -0.00021 0.00003 -0.00004 177 4YY 0.00054 -0.00112 0.00038 -0.00007 -0.00003 178 4ZZ -0.00002 0.00034 -0.00013 0.00000 0.00001 179 4XY 0.00029 0.00001 -0.00003 0.00000 -0.00006 180 4XZ 0.00005 -0.00001 0.00018 0.00000 0.00000 181 4YZ -0.00003 0.00002 0.00063 -0.00005 0.00007 182 18 H 1S 0.00012 0.00355 0.00026 -0.00001 0.00008 183 2S 0.00029 0.00243 -0.00075 -0.00027 0.00046 184 19 H 1S 0.00101 0.00124 0.00003 0.00006 -0.00001 185 2S -0.00012 0.00206 -0.00005 0.00069 -0.00029 106 107 108 109 110 106 4ZZ 0.00112 107 4XY 0.00000 0.00101 108 4XZ 0.00000 0.00000 0.00072 109 4YZ 0.00000 0.00000 0.00000 0.00108 110 8 C 1S 0.00000 -0.00002 -0.00004 -0.00001 2.05499 111 2S -0.00012 0.00042 0.00071 0.00016 -0.01151 112 2PX -0.00041 0.00062 0.00106 0.00049 0.00000 113 2PY 0.00000 0.00027 0.00027 0.00007 0.00000 114 2PZ -0.00007 0.00037 0.00004 0.00000 0.00000 115 3S -0.00052 0.00039 0.00032 0.00009 -0.04722 116 3PX 0.00005 0.00008 0.00017 0.00016 0.00000 117 3PY -0.00004 0.00032 0.00009 -0.00003 0.00000 118 3PZ -0.00047 0.00009 0.00018 0.00001 0.00000 119 4XX -0.00003 0.00001 -0.00001 -0.00003 -0.00117 120 4YY 0.00001 0.00000 0.00000 0.00000 -0.00128 121 4ZZ 0.00000 -0.00002 0.00000 0.00000 -0.00131 122 4XY -0.00003 -0.00002 -0.00002 0.00000 0.00000 123 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 124 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00001 -0.00023 127 2PX 0.00000 0.00000 0.00000 0.00002 -0.00002 128 2PY 0.00000 0.00004 0.00001 0.00004 -0.00130 129 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00020 130 3S 0.00002 -0.00001 0.00000 0.00006 0.00155 131 3PX 0.00006 0.00000 0.00000 0.00008 -0.00006 132 3PY 0.00002 0.00001 0.00005 0.00013 0.00002 133 3PZ 0.00001 0.00001 0.00000 0.00000 0.00037 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 -0.00011 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00004 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00002 0.00001 0.00004 0.00000 -0.00177 145 2S 0.00033 0.00005 0.00014 0.00002 -0.00158 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00019 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00001 0.00000 0.00000 150 2PX 0.00004 -0.00001 0.00002 0.00000 0.00000 151 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00002 0.00003 0.00003 -0.00001 0.00000 153 3S 0.00011 0.00002 0.00012 -0.00004 0.00000 154 3PX 0.00047 -0.00006 0.00005 0.00001 0.00000 155 3PY 0.00019 0.00001 -0.00001 -0.00001 0.00000 156 3PZ -0.00033 0.00014 0.00012 -0.00007 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00001 -0.00012 -0.00001 -0.00002 0.00000 168 2S -0.00059 0.00101 0.00012 0.00016 0.00000 169 2PX -0.00022 0.00027 0.00000 0.00018 0.00000 170 2PY -0.00095 0.00152 0.00034 0.00025 0.00000 171 2PZ 0.00007 0.00018 0.00033 0.00161 0.00000 172 3S -0.00168 0.00043 0.00008 0.00006 0.00011 173 3PX -0.00039 0.00036 0.00003 -0.00002 0.00004 174 3PY -0.00061 0.00009 0.00008 0.00003 0.00010 175 3PZ -0.00021 -0.00002 0.00023 0.00093 -0.00001 176 4XX 0.00000 0.00000 0.00000 -0.00005 0.00000 177 4YY -0.00001 -0.00003 0.00001 0.00006 0.00000 178 4ZZ 0.00003 -0.00004 0.00000 0.00000 0.00000 179 4XY -0.00005 -0.00002 0.00000 -0.00005 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 181 4YZ 0.00000 -0.00004 0.00000 -0.00008 0.00000 182 18 H 1S 0.00001 -0.00001 0.00000 0.00006 0.00000 183 2S 0.00031 -0.00003 0.00000 0.00025 0.00002 184 19 H 1S 0.00000 0.00008 0.00000 0.00001 0.00000 185 2S -0.00004 0.00025 0.00001 0.00004 0.00000 111 112 113 114 115 111 2S 0.30371 112 2PX 0.00000 0.38999 113 2PY 0.00000 0.00000 0.40961 114 2PZ 0.00000 0.00000 0.00000 0.38943 115 3S 0.29373 0.00000 0.00000 0.00000 0.65245 116 3PX 0.00000 0.13245 0.00000 0.00000 0.00000 117 3PY 0.00000 0.00000 0.10564 0.00000 0.00000 118 3PZ 0.00000 0.00000 0.00000 0.12697 0.00000 119 4XX -0.00414 0.00000 0.00000 0.00000 -0.00401 120 4YY -0.00160 0.00000 0.00000 0.00000 -0.00394 121 4ZZ -0.00159 0.00000 0.00000 0.00000 0.00162 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S -0.00020 -0.00001 -0.00139 -0.00021 -0.00017 126 2S 0.00561 0.00020 0.02539 0.00398 0.00223 127 2PX 0.00032 0.00360 0.00100 -0.00013 0.00016 128 2PY 0.02451 0.00092 0.06303 0.01395 0.02213 129 2PZ 0.00354 -0.00010 0.01121 -0.00067 0.00495 130 3S -0.00552 0.00053 0.02772 0.00445 -0.05189 131 3PX 0.00042 0.00197 0.00039 -0.00009 0.00013 132 3PY 0.00832 0.00072 0.01494 0.01002 -0.01449 133 3PZ 0.00031 -0.00008 0.00518 -0.00218 -0.00241 134 4XX -0.00020 0.00001 -0.00060 -0.00009 -0.00054 135 4YY 0.00219 0.00008 0.00064 0.00141 0.00255 136 4ZZ -0.00036 0.00000 -0.00075 -0.00001 -0.00097 137 4XY 0.00002 0.00117 0.00007 0.00002 0.00004 138 4XZ 0.00002 0.00015 0.00006 0.00000 0.00002 139 4YZ 0.00068 0.00003 0.00169 0.00019 0.00053 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00007 141 2S 0.00012 0.00001 0.00044 0.00000 0.00125 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00001 -0.00001 0.00003 0.00002 0.00019 144 12 H 1S 0.02979 0.01336 0.04081 0.04089 0.03609 145 2S 0.01682 0.00785 0.02219 0.02253 0.01835 146 13 H 1S -0.00014 0.00000 -0.00029 -0.00026 -0.00234 147 2S -0.00289 -0.00003 -0.00411 -0.00369 -0.00684 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00003 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00013 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00005 153 3S 0.00004 0.00014 -0.00001 0.00004 0.00104 154 3PX 0.00005 0.00017 -0.00001 0.00008 0.00176 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00003 0.00011 0.00000 0.00001 0.00043 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00003 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 -0.00007 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 168 2S -0.00006 -0.00015 -0.00013 0.00000 -0.00077 169 2PX -0.00012 -0.00017 -0.00026 -0.00002 -0.00370 170 2PY -0.00010 -0.00032 -0.00006 -0.00001 -0.00148 171 2PZ -0.00001 -0.00001 0.00001 -0.00002 0.00002 172 3S -0.00180 -0.00236 -0.00168 -0.00016 -0.01179 173 3PX -0.00076 0.00039 -0.00110 -0.00034 -0.00991 174 3PY -0.00119 -0.00304 0.00007 -0.00015 -0.00494 175 3PZ -0.00006 0.00005 0.00020 -0.00086 0.00121 176 4XX 0.00001 0.00003 0.00003 0.00000 0.00036 177 4YY 0.00000 0.00000 0.00000 0.00000 -0.00015 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 179 4XY 0.00001 0.00005 0.00003 0.00000 0.00010 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 181 4YZ 0.00000 0.00001 0.00000 0.00000 0.00003 182 18 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00037 183 2S -0.00045 -0.00074 -0.00044 0.00008 -0.00320 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 185 2S 0.00011 0.00029 0.00014 0.00002 0.00160 116 117 118 119 120 116 3PX 0.16127 117 3PY 0.00000 0.12262 118 3PZ 0.00000 0.00000 0.16327 119 4XX 0.00000 0.00000 0.00000 0.00120 120 4YY 0.00000 0.00000 0.00000 -0.00017 0.00131 121 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00010 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S -0.00006 -0.00179 -0.00002 0.00000 -0.00012 126 2S 0.00049 0.01949 0.00150 -0.00036 0.00248 127 2PX 0.00436 0.00066 -0.00005 0.00001 0.00007 128 2PY 0.00041 0.01978 0.00833 -0.00071 0.00118 129 2PZ 0.00007 0.00578 -0.00054 -0.00013 0.00147 130 3S 0.00134 0.00881 0.00502 -0.00093 0.00312 131 3PX -0.00030 0.00020 -0.00011 -0.00003 0.00012 132 3PY 0.00086 0.00158 0.00882 -0.00133 0.00112 133 3PZ 0.00004 0.00237 -0.00476 -0.00011 0.00078 134 4XX -0.00004 -0.00083 -0.00002 0.00001 -0.00005 135 4YY 0.00008 0.00021 0.00106 -0.00002 0.00006 136 4ZZ 0.00000 -0.00097 -0.00040 0.00000 -0.00005 137 4XY 0.00089 0.00002 -0.00001 0.00000 0.00001 138 4XZ 0.00008 0.00002 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00027 0.00037 -0.00001 -0.00006 140 10 H 1S 0.00000 0.00025 0.00000 0.00000 0.00000 141 2S 0.00002 0.00287 -0.00004 0.00000 -0.00001 142 11 H 1S 0.00001 -0.00001 0.00000 0.00000 0.00000 143 2S 0.00006 0.00033 0.00042 0.00000 0.00000 144 12 H 1S 0.00966 0.02574 0.02726 -0.00064 0.00042 145 2S 0.00727 0.01916 0.02060 -0.00122 0.00068 146 13 H 1S 0.00002 -0.00232 -0.00252 0.00000 -0.00001 147 2S 0.00011 -0.00675 -0.00766 0.00015 -0.00040 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00008 0.00000 0.00003 0.00000 0.00000 150 2PX 0.00022 0.00000 0.00006 0.00000 0.00000 151 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00011 -0.00001 0.00008 0.00000 0.00000 153 3S 0.00196 -0.00004 0.00067 0.00000 0.00000 154 3PX 0.00188 0.00002 0.00061 0.00000 0.00000 155 3PY 0.00000 0.00002 -0.00006 0.00000 0.00000 156 3PZ 0.00111 -0.00010 0.00047 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 -0.00001 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00010 0.00001 -0.00006 0.00000 0.00000 167 17 C 1S 0.00012 0.00007 0.00000 0.00000 0.00000 168 2S -0.00201 -0.00116 0.00011 0.00000 0.00001 169 2PX -0.00165 0.00041 -0.00006 -0.00002 0.00004 170 2PY -0.00433 -0.00003 -0.00049 0.00003 0.00001 171 2PZ -0.00001 -0.00040 -0.00001 0.00001 0.00000 172 3S -0.00938 -0.00177 -0.00083 -0.00001 0.00016 173 3PX 0.00034 0.00358 -0.00028 -0.00028 0.00040 174 3PY -0.00946 -0.00005 -0.00117 0.00029 0.00002 175 3PZ 0.00034 -0.00079 -0.00182 0.00011 -0.00007 176 4XX 0.00037 0.00023 0.00006 0.00000 0.00000 177 4YY -0.00015 -0.00007 -0.00003 0.00000 0.00000 178 4ZZ -0.00002 -0.00006 0.00001 0.00000 0.00000 179 4XY 0.00017 0.00011 0.00001 0.00000 0.00000 180 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00006 0.00001 0.00000 0.00000 0.00000 182 18 H 1S -0.00017 -0.00088 -0.00006 0.00000 0.00000 183 2S -0.00217 -0.00303 0.00010 -0.00002 0.00001 184 19 H 1S 0.00018 0.00004 0.00002 0.00000 0.00000 185 2S 0.00272 0.00088 0.00018 0.00000 -0.00001 121 122 123 124 125 121 4ZZ 0.00095 122 4XY 0.00000 0.00104 123 4XZ 0.00000 0.00000 0.00139 124 4YZ 0.00000 0.00000 0.00000 0.00122 125 9 C 1S 0.00001 0.00000 0.00000 -0.00005 2.05359 126 2S -0.00029 0.00003 0.00000 0.00076 -0.01377 127 2PX -0.00001 0.00130 0.00021 0.00001 0.00000 128 2PY -0.00059 0.00005 0.00004 0.00125 0.00000 129 2PZ -0.00001 0.00002 0.00000 0.00025 0.00000 130 3S -0.00082 0.00000 0.00000 0.00049 -0.03102 131 3PX -0.00006 0.00104 0.00025 0.00000 0.00000 132 3PY -0.00061 0.00002 0.00000 0.00020 0.00000 133 3PZ -0.00039 -0.00001 0.00001 0.00027 0.00000 134 4XX 0.00001 0.00000 0.00000 -0.00001 -0.00096 135 4YY -0.00005 0.00001 -0.00001 -0.00006 -0.00125 136 4ZZ 0.00001 -0.00001 0.00000 0.00000 -0.00157 137 4XY 0.00000 -0.00007 -0.00004 -0.00001 0.00000 138 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 139 4YZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00021 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00046 0.00109 0.00089 0.00298 0.00000 145 2S 0.00069 0.00022 0.00018 0.00058 0.00008 146 13 H 1S 0.00003 0.00000 0.00000 0.00005 -0.00211 147 2S 0.00036 0.00002 0.00000 0.00017 -0.00149 148 14 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 0.00001 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00002 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00004 0.00000 0.00001 0.00000 170 2PY 0.00000 0.00004 -0.00001 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 172 3S -0.00003 0.00009 -0.00002 0.00001 0.00000 173 3PX -0.00002 0.00011 0.00003 0.00004 0.00000 174 3PY -0.00007 0.00007 -0.00005 -0.00001 0.00000 175 3PZ -0.00001 0.00001 0.00008 0.00007 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00004 0.00000 0.00001 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 2S 0.32521 127 2PX 0.00000 0.35702 128 2PY 0.00000 0.00000 0.39978 129 2PZ 0.00000 0.00000 0.00000 0.41332 130 3S 0.21554 0.00000 0.00000 0.00000 0.26520 131 3PX 0.00000 0.12442 0.00000 0.00000 0.00000 132 3PY 0.00000 0.00000 0.07815 0.00000 0.00000 133 3PZ 0.00000 0.00000 0.00000 0.08952 0.00000 134 4XX -0.00971 0.00000 0.00000 0.00000 -0.00667 135 4YY -0.00396 0.00000 0.00000 0.00000 -0.00319 136 4ZZ 0.00166 0.00000 0.00000 0.00000 0.00260 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00019 -0.00007 -0.00054 -0.00006 -0.00300 141 2S -0.00298 -0.00078 -0.00786 -0.00050 -0.00995 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00014 143 2S 0.00012 0.00006 0.00007 0.00030 0.00155 144 12 H 1S -0.00011 -0.00004 -0.00047 -0.00001 -0.00308 145 2S -0.00144 -0.00037 -0.00569 -0.00020 -0.00752 146 13 H 1S 0.03341 0.00838 0.00348 0.08658 0.04149 147 2S 0.01628 0.00511 0.00231 0.05001 0.02508 148 14 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 0.00001 153 3S 0.00000 0.00001 0.00000 -0.00001 -0.00005 154 3PX 0.00000 0.00004 0.00000 -0.00001 -0.00010 155 3PY 0.00000 -0.00001 0.00000 0.00001 0.00001 156 3PZ 0.00000 -0.00003 0.00000 0.00000 0.00013 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00002 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00009 170 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 172 3S 0.00002 0.00001 0.00009 0.00000 0.00031 173 3PX 0.00007 0.00002 0.00014 0.00003 0.00090 174 3PY -0.00005 -0.00003 -0.00009 -0.00001 -0.00049 175 3PZ -0.00004 -0.00003 -0.00012 0.00000 -0.00036 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00001 0.00000 0.00006 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 -0.00005 131 132 133 134 135 131 3PX 0.14396 132 3PY 0.00000 0.06654 133 3PZ 0.00000 0.00000 0.07245 134 4XX 0.00000 0.00000 0.00000 0.00094 135 4YY 0.00000 0.00000 0.00000 0.00006 0.00139 136 4ZZ 0.00000 0.00000 0.00000 -0.00001 -0.00027 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00046 -0.00197 -0.00039 0.00000 0.00011 141 2S -0.00119 -0.00943 -0.00090 0.00005 0.00096 142 11 H 1S 0.00005 0.00005 0.00017 0.00000 0.00000 143 2S 0.00035 0.00053 0.00163 0.00000 0.00000 144 12 H 1S -0.00020 -0.00193 0.00002 0.00000 0.00007 145 2S -0.00039 -0.00618 -0.00018 0.00004 0.00032 146 13 H 1S 0.00451 0.00140 0.04414 -0.00060 -0.00125 147 2S 0.00409 0.00195 0.03790 -0.00034 -0.00290 148 14 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 0.00004 0.00000 -0.00002 0.00000 0.00000 151 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00004 0.00001 0.00001 0.00000 0.00000 153 3S 0.00018 0.00001 -0.00014 0.00000 0.00000 154 3PX 0.00055 -0.00008 -0.00026 0.00000 0.00000 155 3PY -0.00018 0.00000 0.00007 0.00000 0.00000 156 3PZ -0.00057 0.00011 0.00011 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00004 -0.00001 0.00002 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00003 0.00000 -0.00001 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00002 0.00006 0.00001 0.00000 0.00000 169 2PX -0.00002 0.00027 0.00002 0.00000 0.00000 170 2PY -0.00003 -0.00015 0.00003 0.00000 0.00000 171 2PZ 0.00001 -0.00014 0.00000 0.00000 0.00000 172 3S 0.00008 0.00091 0.00004 0.00000 0.00000 173 3PX -0.00006 0.00189 0.00010 0.00000 0.00001 174 3PY 0.00009 -0.00115 0.00010 0.00000 -0.00001 175 3PZ -0.00003 -0.00119 -0.00003 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 183 2S 0.00008 0.00009 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00003 -0.00007 -0.00001 0.00000 0.00000 136 137 138 139 140 136 4ZZ 0.00147 137 4XY 0.00000 0.00060 138 4XZ 0.00000 0.00000 0.00063 139 4YZ 0.00000 0.00000 0.00000 0.00097 140 10 H 1S -0.00001 0.00001 -0.00001 0.00000 0.21477 141 2S -0.00044 0.00003 -0.00004 -0.00008 0.10392 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 143 2S -0.00002 0.00000 0.00000 0.00000 -0.00061 144 12 H 1S 0.00000 0.00001 0.00000 0.00001 0.00000 145 2S -0.00012 0.00005 0.00000 0.00005 0.00000 146 13 H 1S 0.00549 0.00008 0.00111 0.00047 -0.00001 147 2S 0.00480 0.00002 0.00018 0.00008 -0.00067 148 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 2S 0.13375 142 11 H 1S -0.00070 0.21858 143 2S -0.00274 0.10854 0.14610 144 12 H 1S 0.00000 0.00000 0.00000 0.21175 145 2S -0.00011 0.00000 0.00002 0.09712 0.12155 146 13 H 1S -0.00063 0.00000 0.00000 -0.00001 -0.00080 147 2S -0.00376 0.00000 -0.00012 -0.00080 -0.00330 148 14 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 149 2S 0.00000 -0.00001 -0.00039 0.00000 0.00000 150 2PX -0.00001 -0.00001 -0.00082 0.00000 0.00000 151 2PY 0.00000 -0.00001 0.00002 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00005 0.00000 0.00000 153 3S -0.00009 -0.00051 -0.00278 0.00000 -0.00003 154 3PX -0.00014 -0.00007 -0.00137 0.00000 -0.00004 155 3PY 0.00006 -0.00015 0.00056 0.00000 0.00000 156 3PZ 0.00007 -0.00002 0.00004 0.00000 -0.00002 157 4XX 0.00000 0.00000 -0.00003 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00005 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00004 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00001 0.00001 0.00001 0.00000 -0.00001 165 16 H 1S 0.00000 0.00000 0.00057 0.00000 0.00000 166 2S -0.00002 0.00039 0.00452 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 168 2S 0.00000 0.00000 0.00000 -0.00001 -0.00041 169 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00030 170 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00056 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00012 172 3S 0.00001 0.00000 -0.00003 -0.00039 -0.00212 173 3PX 0.00000 0.00000 0.00000 -0.00022 -0.00018 174 3PY 0.00000 0.00000 -0.00006 0.00005 -0.00087 175 3PZ 0.00000 0.00000 -0.00001 -0.00023 -0.00009 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 179 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 181 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00065 183 2S 0.00000 0.00000 0.00000 0.00040 0.00455 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00001 -0.00002 146 147 148 149 150 146 13 H 1S 0.21423 147 2S 0.10243 0.12852 148 14 C 1S 0.00000 0.00000 2.05330 149 2S 0.00000 0.00000 -0.01373 0.31898 150 2PX 0.00000 0.00000 0.00000 0.00000 0.40447 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 -0.03207 0.23503 0.00000 154 3PX 0.00000 0.00001 0.00000 0.00000 0.11607 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00141 -0.00180 0.00000 158 4YY 0.00000 0.00000 -0.00153 -0.00004 0.00000 159 4ZZ 0.00000 0.00000 -0.00122 -0.00572 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 15 H 1S 0.00000 0.00000 -0.00202 0.03254 0.03520 164 2S 0.00000 0.00000 -0.00107 0.01570 0.01961 165 16 H 1S 0.00000 0.00000 -0.00206 0.03295 0.01057 166 2S 0.00000 0.00000 -0.00127 0.01724 0.00537 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 172 3S 0.00000 -0.00005 0.00001 -0.00030 -0.00045 173 3PX 0.00000 -0.00013 0.00001 -0.00013 0.00006 174 3PY 0.00000 0.00005 0.00000 -0.00009 -0.00025 175 3PZ 0.00000 0.00013 0.00001 -0.00017 -0.00076 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00014 0.00002 151 152 153 154 155 151 2PY 0.40023 152 2PZ 0.00000 0.37139 153 3S 0.00000 0.00000 0.31573 154 3PX 0.00000 0.00000 0.00000 0.11443 155 3PY 0.10098 0.00000 0.00000 0.00000 0.08818 156 3PZ 0.00000 0.12350 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00042 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00141 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00391 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 15 H 1S 0.06376 0.00068 0.03024 0.02225 0.03353 164 2S 0.03770 0.00049 0.00274 0.01883 0.03054 165 16 H 1S 0.04842 0.04022 0.03049 0.00726 0.02510 166 2S 0.02969 0.02294 0.00819 0.00553 0.02402 167 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 168 2S 0.00000 0.00000 -0.00026 0.00004 -0.00030 169 2PX 0.00000 -0.00002 0.00013 0.00010 0.00028 170 2PY 0.00001 -0.00003 -0.00093 -0.00004 0.00029 171 2PZ -0.00003 0.00003 -0.00029 -0.00053 -0.00112 172 3S -0.00006 -0.00061 -0.00423 -0.00179 -0.00063 173 3PX 0.00012 -0.00063 0.00033 -0.00051 0.00124 174 3PY 0.00093 -0.00132 -0.00408 -0.00056 0.00216 175 3PZ -0.00098 0.00092 -0.00153 -0.00310 -0.00404 176 4XX 0.00000 0.00000 0.00003 0.00001 -0.00002 177 4YY 0.00000 0.00000 -0.00003 -0.00002 0.00001 178 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00002 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 180 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 181 4YZ 0.00000 0.00000 -0.00002 -0.00003 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00000 0.00008 -0.00008 0.00014 184 19 H 1S -0.00001 0.00000 0.00024 0.00010 -0.00027 185 2S 0.00013 0.00019 0.00291 0.00036 0.00015 156 157 158 159 160 156 3PZ 0.14040 157 4XX 0.00000 0.00079 158 4YY 0.00000 -0.00002 0.00086 159 4ZZ 0.00000 -0.00008 0.00004 0.00085 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00126 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 15 H 1S 0.00006 0.00010 0.00258 -0.00090 0.00376 164 2S 0.00013 0.00047 0.00247 -0.00191 0.00075 165 16 H 1S 0.02270 -0.00097 0.00105 0.00071 0.00109 166 2S 0.01954 -0.00182 0.00086 0.00166 0.00029 167 17 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 168 2S -0.00012 0.00000 0.00000 0.00000 0.00000 169 2PX -0.00038 0.00000 0.00000 0.00000 0.00000 170 2PY -0.00152 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00109 0.00000 0.00000 0.00000 0.00000 172 3S -0.00277 0.00000 0.00004 0.00000 -0.00001 173 3PX -0.00220 0.00000 -0.00002 0.00001 0.00000 174 3PY -0.00636 0.00001 0.00004 -0.00003 -0.00002 175 3PZ 0.00349 -0.00003 0.00004 0.00001 0.00000 176 4XX 0.00005 0.00000 0.00000 0.00000 0.00000 177 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00003 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00038 0.00000 0.00000 0.00000 0.00000 185 2S 0.00182 0.00000 0.00000 -0.00002 0.00000 161 162 163 164 165 161 4XZ 0.00062 162 4YZ 0.00000 0.00078 163 15 H 1S 0.00009 0.00002 0.21527 164 2S 0.00003 -0.00002 0.10326 0.13144 165 16 H 1S 0.00058 0.00305 -0.00058 -0.00861 0.21440 166 2S 0.00009 0.00052 -0.00885 -0.02654 0.10369 167 17 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 168 2S 0.00000 0.00000 0.00000 0.00016 0.00000 169 2PX 0.00000 0.00000 -0.00001 0.00005 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00023 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00008 0.00000 172 3S -0.00001 0.00000 0.00024 0.00294 0.00000 173 3PX 0.00000 0.00002 -0.00046 -0.00093 0.00000 174 3PY -0.00003 0.00001 0.00053 0.00234 0.00000 175 3PZ 0.00000 -0.00001 0.00007 0.00045 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 177 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 178 4ZZ 0.00000 0.00000 0.00000 -0.00002 0.00000 179 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 181 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 183 2S 0.00000 0.00000 0.00000 -0.00012 0.00000 184 19 H 1S 0.00000 0.00000 -0.00001 0.00054 0.00000 185 2S 0.00000 -0.00001 0.00057 0.00409 -0.00001 166 167 168 169 170 166 2S 0.13098 167 17 C 1S 0.00000 2.05321 168 2S 0.00000 -0.01377 0.32022 169 2PX 0.00001 0.00000 0.00000 0.39795 170 2PY 0.00000 0.00000 0.00000 0.00000 0.40625 171 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 172 3S 0.00010 -0.03138 0.22892 0.00000 0.00000 173 3PX 0.00009 0.00000 0.00000 0.10723 0.00000 174 3PY -0.00009 0.00000 0.00000 0.00000 0.10822 175 3PZ 0.00007 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 -0.00145 -0.00138 0.00000 0.00000 177 4YY 0.00000 -0.00147 -0.00069 0.00000 0.00000 178 4ZZ 0.00000 -0.00124 -0.00542 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 -0.00207 0.03321 0.01679 0.04249 183 2S 0.00000 -0.00130 0.01761 0.01081 0.02335 184 19 H 1S 0.00000 -0.00204 0.03277 0.07231 0.00948 185 2S -0.00011 -0.00109 0.01568 0.04194 0.00493 171 172 173 174 175 171 2PZ 0.37150 172 3S 0.00000 0.29714 173 3PX 0.00000 0.00000 0.10154 174 3PY 0.00000 0.00000 0.00000 0.09954 175 3PZ 0.11999 0.00000 0.00000 0.00000 0.13447 176 4XX 0.00000 -0.00164 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00065 0.00000 0.00000 0.00000 178 4ZZ 0.00000 -0.00441 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.04021 0.02992 0.00754 0.02546 0.02171 183 2S 0.02386 0.00915 0.00788 0.02080 0.01937 184 19 H 1S 0.01805 0.03203 0.03934 0.00681 0.00843 185 2S 0.01090 0.00715 0.03422 0.00543 0.00789 176 177 178 179 180 176 4XX 0.00106 177 4YY -0.00014 0.00074 178 4ZZ 0.00008 0.00002 0.00062 179 4XY 0.00000 0.00000 0.00000 0.00090 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00076 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S -0.00077 0.00046 0.00080 0.00138 0.00090 183 2S -0.00175 0.00086 0.00156 0.00033 0.00009 184 19 H 1S 0.00379 -0.00103 -0.00054 0.00111 0.00192 185 2S 0.00391 -0.00213 -0.00063 0.00023 0.00028 181 182 183 184 185 181 4YZ 0.00105 182 18 H 1S 0.00276 0.21476 183 2S 0.00052 0.10394 0.13173 184 19 H 1S 0.00042 -0.00059 -0.00894 0.21544 185 2S 0.00013 -0.00866 -0.02696 0.10325 0.13149 Gross orbital populations: 1 1 1 S 1S 1.99864 2 2S 1.98961 3 2PX 1.98956 4 2PY 1.98764 5 2PZ 1.98771 6 3S 1.46431 7 3PX 1.01856 8 3PY 0.80476 9 3PZ 0.82069 10 4S 0.33528 11 4PX 0.22708 12 4PY 0.09539 13 4PZ 0.11462 14 5XX -0.00650 15 5YY 0.04202 16 5ZZ 0.02273 17 5XY 0.07514 18 5XZ 0.04976 19 5YZ 0.06984 20 2 O 1S 1.99267 21 2S 0.92468 22 2PX 1.04245 23 2PY 0.86094 24 2PZ 0.95023 25 3S 1.01225 26 3PX 0.68949 27 3PY 0.44717 28 3PZ 0.60483 29 4XX -0.01224 30 4YY 0.01037 31 4ZZ -0.00356 32 4XY 0.00673 33 4XZ 0.00229 34 4YZ 0.00862 35 3 O 1S 1.99250 36 2S 0.90940 37 2PX 0.89350 38 2PY 0.97584 39 2PZ 0.99561 40 3S 1.02690 41 3PX 0.50325 42 3PY 0.60358 43 3PZ 0.64549 44 4XX 0.00509 45 4YY -0.00176 46 4ZZ -0.00901 47 4XY 0.00400 48 4XZ 0.00673 49 4YZ 0.00597 50 4 C 1S 1.99194 51 2S 0.71111 52 2PX 0.59317 53 2PY 0.75062 54 2PZ 0.71838 55 3S 0.50535 56 3PX 0.37702 57 3PY 0.22510 58 3PZ 0.20418 59 4XX -0.02056 60 4YY 0.01476 61 4ZZ -0.00266 62 4XY 0.00414 63 4XZ 0.00445 64 4YZ 0.00918 65 5 C 1S 1.99300 66 2S 0.69056 67 2PX 0.60002 68 2PY 0.71728 69 2PZ 0.71485 70 3S 0.58769 71 3PX 0.16891 72 3PY 0.26454 73 3PZ 0.24148 74 4XX 0.00105 75 4YY 0.00021 76 4ZZ 0.00237 77 4XY 0.01518 78 4XZ 0.01519 79 4YZ 0.01339 80 6 C 1S 1.99200 81 2S 0.71625 82 2PX 0.73121 83 2PY 0.67969 84 2PZ 0.65594 85 3S 0.42250 86 3PX 0.11908 87 3PY 0.18857 88 3PZ 0.25660 89 4XX -0.00257 90 4YY -0.00548 91 4ZZ -0.01134 92 4XY 0.01159 93 4XZ 0.00689 94 4YZ 0.00723 95 7 C 1S 1.99208 96 2S 0.71200 97 2PX 0.67546 98 2PY 0.74547 99 2PZ 0.64467 100 3S 0.43587 101 3PX 0.16060 102 3PY 0.11988 103 3PZ 0.28878 104 4XX -0.00545 105 4YY -0.00120 106 4ZZ -0.01373 107 4XY 0.00995 108 4XZ 0.00649 109 4YZ 0.00979 110 8 C 1S 1.99278 111 2S 0.67631 112 2PX 0.68208 113 2PY 0.72517 114 2PZ 0.67808 115 3S 0.70716 116 3PX 0.32702 117 3PY 0.31422 118 3PZ 0.34138 119 4XX -0.00389 120 4YY 0.00222 121 4ZZ 0.00042 122 4XY 0.00802 123 4XZ 0.01069 124 4YZ 0.00970 125 9 C 1S 1.99198 126 2S 0.70524 127 2PX 0.60792 128 2PY 0.72017 129 2PZ 0.73634 130 3S 0.52087 131 3PX 0.38318 132 3PY 0.17611 133 3PZ 0.26309 134 4XX -0.02012 135 4YY -0.00209 136 4ZZ 0.01122 137 4XY 0.00568 138 4XZ 0.00478 139 4YZ 0.00958 140 10 H 1S 0.52988 141 2S 0.31590 142 11 H 1S 0.53040 143 2S 0.31435 144 12 H 1S 0.52101 145 2S 0.29386 146 13 H 1S 0.52872 147 2S 0.31300 148 14 C 1S 1.99169 149 2S 0.70245 150 2PX 0.72161 151 2PY 0.70334 152 2PZ 0.64639 153 3S 0.60806 154 3PX 0.32540 155 3PY 0.32982 156 3PZ 0.38217 157 4XX -0.00036 158 4YY 0.00278 159 4ZZ -0.01053 160 4XY 0.00996 161 4XZ 0.00548 162 4YZ 0.00547 163 15 H 1S 0.53095 164 2S 0.31671 165 16 H 1S 0.52993 166 2S 0.31854 167 17 C 1S 1.99169 168 2S 0.70345 169 2PX 0.69886 170 2PY 0.73016 171 2PZ 0.64158 172 3S 0.60260 173 3PX 0.33917 174 3PY 0.30522 175 3PZ 0.38347 176 4XX 0.00070 177 4YY 0.00255 178 4ZZ -0.01134 179 4XY 0.00782 180 4XZ 0.00496 181 4YZ 0.00814 182 18 H 1S 0.53058 183 2S 0.31891 184 19 H 1S 0.53133 185 2S 0.31627 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 S 14.827924 0.330639 -0.005219 -0.007297 -0.000948 -0.008624 2 O 0.330639 8.270606 -0.029353 0.000138 -0.000885 -0.000190 3 O -0.005219 -0.029353 8.569763 -0.054207 0.165247 -0.038854 4 C -0.007297 0.000138 -0.054207 4.968027 0.341513 -0.037363 5 C -0.000948 -0.000885 0.165247 0.341513 4.997070 0.325074 6 C -0.008624 -0.000190 -0.038854 -0.037363 0.325074 4.679388 7 C -0.015051 0.005145 -0.015634 -0.018646 -0.031089 0.418067 8 C 0.010074 -0.043903 0.011738 -0.063965 -0.022004 -0.055179 9 C -0.021108 0.002163 -0.013936 0.659998 -0.030182 -0.021654 10 H 0.000404 0.000003 0.003306 0.365505 -0.039957 0.003845 11 H 0.000238 -0.000094 -0.037975 -0.040722 0.375754 -0.039717 12 H -0.022872 0.000065 0.001350 0.003976 0.000487 0.003658 13 H 0.000878 -0.000027 -0.000112 -0.033865 0.003906 0.000357 14 C 0.000322 -0.000164 0.000780 0.002579 -0.062469 0.621613 15 H -0.000063 -0.000001 -0.000097 -0.000259 0.005337 -0.013689 16 H 0.000027 0.000000 0.000149 0.000342 -0.009318 -0.014848 17 C -0.002758 0.002849 0.000145 0.000459 0.008297 -0.044756 18 H 0.000567 -0.000101 0.000001 0.000005 -0.000165 0.004975 19 H -0.000282 0.000051 -0.000004 -0.000040 0.000028 -0.013938 7 8 9 10 11 12 1 S -0.015051 0.010074 -0.021108 0.000404 0.000238 -0.022872 2 O 0.005145 -0.043903 0.002163 0.000003 -0.000094 0.000065 3 O -0.015634 0.011738 -0.013936 0.003306 -0.037975 0.001350 4 C -0.018646 -0.063965 0.659998 0.365505 -0.040722 0.003976 5 C -0.031089 -0.022004 -0.030182 -0.039957 0.375754 0.000487 6 C 0.418067 -0.055179 -0.021654 0.003845 -0.039717 0.003658 7 C 4.665141 0.272022 -0.035449 0.000186 0.003705 -0.028730 8 C 0.272022 5.819206 0.282916 0.004960 0.001053 0.361366 9 C -0.035449 0.282916 4.982239 -0.039475 0.004996 -0.027245 10 H 0.000186 0.004960 -0.039475 0.556360 -0.004063 -0.000113 11 H 0.003705 0.001053 0.004996 -0.004063 0.581770 0.000019 12 H -0.028730 0.361366 -0.027245 -0.000113 0.000019 0.527536 13 H 0.002557 -0.039154 0.369670 -0.005068 -0.000127 -0.004916 14 C -0.057753 0.011156 -0.000220 -0.000105 -0.005465 -0.000097 15 H -0.011324 0.000046 -0.000030 0.000006 0.000015 -0.000006 16 H 0.004646 -0.000221 0.000016 -0.000024 0.005474 0.000002 17 C 0.651800 -0.073658 0.001156 0.000007 -0.000109 -0.005205 18 H -0.013446 -0.011356 0.000245 0.000000 0.000002 0.005607 19 H -0.015488 0.006260 -0.000167 0.000000 -0.000006 -0.000010 13 14 15 16 17 18 1 S 0.000878 0.000322 -0.000063 0.000027 -0.002758 0.000567 2 O -0.000027 -0.000164 -0.000001 0.000000 0.002849 -0.000101 3 O -0.000112 0.000780 -0.000097 0.000149 0.000145 0.000001 4 C -0.033865 0.002579 -0.000259 0.000342 0.000459 0.000005 5 C 0.003906 -0.062469 0.005337 -0.009318 0.008297 -0.000165 6 C 0.000357 0.621613 -0.013689 -0.014848 -0.044756 0.004975 7 C 0.002557 -0.057753 -0.011324 0.004646 0.651800 -0.013446 8 C -0.039154 0.011156 0.000046 -0.000221 -0.073658 -0.011356 9 C 0.369670 -0.000220 -0.000030 0.000016 0.001156 0.000245 10 H -0.005068 -0.000105 0.000006 -0.000024 0.000007 0.000000 11 H -0.000127 -0.005465 0.000015 0.005474 -0.000109 0.000002 12 H -0.004916 -0.000097 -0.000006 0.000002 -0.005205 0.005607 13 H 0.547621 0.000010 0.000000 0.000000 0.000006 -0.000015 14 C 0.000010 5.236784 0.348366 0.353983 -0.031838 0.000133 15 H 0.000000 0.348366 0.553225 -0.044586 0.005648 -0.000125 16 H 0.000000 0.353983 -0.044586 0.552764 0.000185 0.000002 17 C 0.000006 -0.031838 0.005648 0.000185 5.191165 0.353944 18 H -0.000015 0.000133 -0.000125 0.000002 0.353944 0.554367 19 H 0.000003 0.006129 0.005192 -0.000113 0.351703 -0.045153 19 1 S -0.000282 2 O 0.000051 3 O -0.000004 4 C -0.000040 5 C 0.000028 6 C -0.013938 7 C -0.015488 8 C 0.006260 9 C -0.000167 10 H 0.000000 11 H -0.000006 12 H -0.000010 13 H 0.000003 14 C 0.006129 15 H 0.005192 16 H -0.000113 17 C 0.351703 18 H -0.045153 19 H 0.553435 Mulliken charges: 1 1 S 0.913150 2 O -0.536940 3 O -0.557087 4 C -0.086180 5 C -0.025697 6 C 0.231836 7 C 0.219341 8 C -0.471358 9 C -0.113935 10 H 0.154224 11 H 0.155250 12 H 0.185128 13 H 0.158276 14 C -0.423746 15 H 0.152344 16 H 0.151521 17 C -0.409042 18 H 0.150514 19 H 0.152401 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 S 0.913150 2 O -0.536940 3 O -0.557087 4 C 0.068044 5 C 0.129554 6 C 0.231836 7 C 0.219341 8 C -0.286230 9 C 0.044341 14 C -0.119881 17 C -0.106127 Electronic spatial extent (au): = 1491.8013 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -2.2258 Y= -1.8303 Z= 3.0322 Tot= 4.1832 Quadrupole moment (field-independent basis, Debye-Ang): XX= -69.7583 YY= -67.7968 ZZ= -69.2335 XY= -2.0323 XZ= 7.1564 YZ= 4.0466 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.8287 YY= 1.1327 ZZ= -0.3040 XY= -2.0323 XZ= 7.1564 YZ= 4.0466 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 3.0290 YYY= -9.7756 ZZZ= 2.2494 XYY= -10.6643 XXY= 3.2535 XXZ= -6.7744 XZZ= 4.9794 YZZ= -2.8014 YYZ= 7.0825 XYZ= 1.2019 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -818.8740 YYYY= -620.5707 ZZZZ= -450.0227 XXXY= -12.4094 XXXZ= 17.2646 YYYX= -1.5205 YYYZ= 14.7363 ZZZX= 11.1484 ZZZY= 2.0379 XXYY= -250.0375 XXZZ= -214.9819 YYZZ= -180.0783 XXYZ= 10.3700 YYXZ= 9.3538 ZZXY= 4.8157 N-N= 7.376394649542D+02 E-N=-3.492040237599D+03 KE= 8.527553257188D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -89.017918 120.980352 2 O -19.175860 29.026221 3 O -19.128451 29.028151 4 O -10.264573 15.893444 5 O -10.232616 15.887560 6 O -10.217016 15.882134 7 O -10.213939 15.879999 8 O -10.212861 15.881584 9 O -10.208489 15.881441 10 O -10.193592 15.878549 11 O -10.192447 15.878531 12 O -8.060320 18.512890 13 O -6.025632 17.503197 14 O -6.023048 17.505762 15 O -6.017154 17.523919 16 O -1.074518 2.525614 17 O -1.013074 2.728656 18 O -0.869647 1.586024 19 O -0.800543 1.618465 20 O -0.787404 1.726139 21 O -0.723988 1.803354 22 O -0.679284 1.587914 23 O -0.640874 2.080998 24 O -0.619733 1.517394 25 O -0.566634 1.479126 26 O -0.529009 1.169575 27 O -0.512127 1.553966 28 O -0.489552 1.548407 29 O -0.486925 1.367354 30 O -0.459180 1.322513 31 O -0.441931 1.946417 32 O -0.436810 1.470716 33 O -0.419083 1.296319 34 O -0.413368 1.641204 35 O -0.400181 1.711003 36 O -0.383446 1.606580 37 O -0.365065 1.856860 38 O -0.356758 1.475961 39 O -0.326661 1.429434 40 O -0.299672 1.911972 41 O -0.293169 2.065148 42 O -0.272743 1.752350 43 O -0.247987 1.646046 44 O -0.224836 1.808422 45 V -0.043945 1.399798 46 V -0.023780 1.640390 47 V 0.016903 2.584749 48 V 0.045276 1.948506 49 V 0.075402 0.988651 50 V 0.087365 1.688205 51 V 0.105117 1.497443 52 V 0.108048 1.032854 53 V 0.121259 2.016591 54 V 0.135623 1.288712 55 V 0.156395 1.146495 56 V 0.160504 1.220461 57 V 0.181320 1.407733 58 V 0.190539 1.564432 59 V 0.194126 1.512894 60 V 0.222854 1.909317 61 V 0.250140 1.624157 62 V 0.255058 2.016195 63 V 0.302928 1.889461 64 V 0.322269 1.348069 65 V 0.335091 1.671282 66 V 0.351364 2.125922 67 V 0.370531 2.040149 68 V 0.386837 1.858771 69 V 0.414143 1.988383 70 V 0.420405 2.198523 71 V 0.440598 2.123864 72 V 0.473595 1.804721 73 V 0.487596 1.964785 74 V 0.514334 2.018726 75 V 0.530236 2.158398 76 V 0.537155 2.010599 77 V 0.555693 2.300019 78 V 0.573554 2.238361 79 V 0.585118 2.415672 80 V 0.594901 2.412013 81 V 0.628054 2.334848 82 V 0.635622 2.262081 83 V 0.637029 2.344107 84 V 0.659378 2.140807 85 V 0.667857 2.262472 86 V 0.682649 2.542592 87 V 0.685603 2.321627 88 V 0.740349 2.576245 89 V 0.765311 2.478722 90 V 0.782949 2.573370 91 V 0.795196 2.529127 92 V 0.813401 2.568584 93 V 0.815045 2.613346 94 V 0.828432 2.604440 95 V 0.836620 2.636835 96 V 0.847763 2.468536 97 V 0.858318 2.758176 98 V 0.869315 2.724669 99 V 0.891042 2.556817 100 V 0.909848 2.660063 101 V 0.933381 2.486707 102 V 0.952924 2.622235 103 V 0.962588 2.514124 104 V 0.976764 2.614693 105 V 0.992947 2.735910 106 V 1.001740 2.683881 107 V 1.031569 2.829509 108 V 1.060577 2.675057 109 V 1.085429 2.835435 110 V 1.088492 3.023963 111 V 1.116463 3.131804 112 V 1.147685 2.572100 113 V 1.163194 2.842461 114 V 1.182772 2.661562 115 V 1.201009 2.797128 116 V 1.210320 3.223915 117 V 1.228292 2.568792 118 V 1.293133 2.679428 119 V 1.330143 2.605388 120 V 1.347978 2.568626 121 V 1.396511 2.655558 122 V 1.416422 2.646226 123 V 1.454408 2.826681 124 V 1.522488 2.750760 125 V 1.579635 2.916266 126 V 1.593741 2.816783 127 V 1.630637 2.820788 128 V 1.659346 2.930034 129 V 1.692688 2.970696 130 V 1.711403 3.122772 131 V 1.742707 2.957795 132 V 1.755430 3.169889 133 V 1.765964 3.014918 134 V 1.819627 3.083007 135 V 1.835157 3.056129 136 V 1.845409 3.150206 137 V 1.851604 2.973946 138 V 1.870430 3.319276 139 V 1.909388 3.260167 140 V 1.921802 3.314646 141 V 1.934995 3.382867 142 V 1.970166 3.555893 143 V 1.977441 3.480607 144 V 2.029956 3.625049 145 V 2.036722 3.448101 146 V 2.059354 3.404804 147 V 2.088118 3.489620 148 V 2.123235 3.512908 149 V 2.160530 3.521299 150 V 2.172333 3.554125 151 V 2.191612 3.546693 152 V 2.212011 3.777020 153 V 2.224230 3.662549 154 V 2.264871 3.843067 155 V 2.308961 3.754711 156 V 2.339671 3.804390 157 V 2.383223 3.954234 158 V 2.406181 4.018922 159 V 2.419815 4.062806 160 V 2.480339 3.925164 161 V 2.485997 4.039448 162 V 2.511915 4.127618 163 V 2.557839 4.207992 164 V 2.571555 4.123074 165 V 2.656435 4.318857 166 V 2.681090 4.525288 167 V 2.750845 4.434019 168 V 2.756698 4.419392 169 V 2.821411 4.618864 170 V 2.828211 4.965125 171 V 2.874879 4.593013 172 V 2.914394 4.620927 173 V 3.071753 4.938279 174 V 3.151833 4.926615 175 V 3.773300 10.333745 176 V 4.004614 12.001210 177 V 4.072775 10.975104 178 V 4.130373 10.371273 179 V 4.155392 10.122481 180 V 4.204672 10.317634 181 V 4.293396 10.397730 182 V 4.372102 10.228896 183 V 4.448997 10.472159 184 V 4.625081 10.381696 185 V 4.858534 11.890538 Total kinetic energy from orbitals= 8.527553257188D+02 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 0.032006460 -0.028150004 0.008259741 2 8 -0.003222743 0.032318300 -0.014697386 3 8 0.007632651 0.007967625 -0.002789797 4 6 -0.003163623 0.001960631 0.000672494 5 6 -0.004877160 -0.000485389 0.000922771 6 6 -0.002778942 -0.005166838 -0.001811898 7 6 -0.004835507 0.000904957 0.001299554 8 6 -0.011962979 -0.000438686 0.002621139 9 6 -0.006769385 -0.006069318 0.001277959 10 1 -0.000101817 -0.004006527 0.004534080 11 1 -0.000993765 0.006721713 0.010869900 12 1 0.000482715 -0.003216550 -0.010272436 13 1 0.000171915 -0.004375349 0.000441945 14 6 -0.006224588 0.002143675 -0.003720386 15 1 0.000729964 0.003788117 0.003620500 16 1 0.002369736 -0.006102603 -0.002257148 17 6 -0.000295537 0.005547869 0.001224445 18 1 0.006047243 -0.001656499 0.003893244 19 1 -0.004214637 -0.001685126 -0.004088720 ------------------------------------------------------------------- Cartesian Forces: Max 0.032318300 RMS 0.008600685 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.035096662 RMS 0.005702272 Search for a local minimum. Step number 1 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00859 0.01180 0.01251 0.01289 0.01765 Eigenvalues --- 0.01912 0.02063 0.02942 0.02943 0.02970 Eigenvalues --- 0.02970 0.04927 0.05168 0.05389 0.06953 Eigenvalues --- 0.08018 0.08269 0.10584 0.11367 0.12622 Eigenvalues --- 0.14126 0.15991 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.18132 0.20708 0.21643 Eigenvalues --- 0.24989 0.25000 0.28277 0.28593 0.29762 Eigenvalues --- 0.31001 0.31956 0.32769 0.33193 0.33870 Eigenvalues --- 0.35618 0.35744 0.35871 0.35906 0.35995 Eigenvalues --- 0.36057 0.37371 0.51696 0.58221 0.58707 Eigenvalues --- 0.93238 RFO step: Lambda=-1.37289035D-02 EMin= 8.59050616D-03 Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.04189441 RMS(Int)= 0.00137213 Iteration 2 RMS(Cart)= 0.00137705 RMS(Int)= 0.00076413 Iteration 3 RMS(Cart)= 0.00000196 RMS(Int)= 0.00076413 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00076413 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.75176 0.03510 0.00000 0.03710 0.03710 2.78885 R2 3.21631 0.00254 0.00000 0.01015 0.01045 3.22676 R3 3.55216 0.01734 0.00000 0.06965 0.07039 3.62255 R4 2.72938 0.01642 0.00000 0.04672 0.04622 2.77561 R5 2.86167 0.00125 0.00000 0.00132 0.00110 2.86277 R6 2.53723 -0.00807 0.00000 -0.01613 -0.01645 2.52078 R7 2.03992 0.00417 0.00000 0.01113 0.01113 2.05105 R8 2.88488 -0.00393 0.00000 -0.01349 -0.01366 2.87122 R9 2.09458 -0.01130 0.00000 -0.03310 -0.03310 2.06148 R10 2.80492 -0.00111 0.00000 -0.00169 -0.00182 2.80311 R11 2.51978 0.00372 0.00000 0.00619 0.00619 2.52598 R12 2.85317 0.00385 0.00000 0.01383 0.01389 2.86706 R13 2.52376 0.00181 0.00000 0.00304 0.00304 2.52680 R14 2.82037 0.00840 0.00000 0.02366 0.02360 2.84398 R15 2.08715 -0.00917 0.00000 -0.02652 -0.02652 2.06063 R16 2.04684 0.00194 0.00000 0.00523 0.00523 2.05207 R17 2.04484 0.00344 0.00000 0.00928 0.00928 2.05412 R18 2.04284 0.00410 0.00000 0.01100 0.01100 2.05384 R19 2.04089 0.00468 0.00000 0.01252 0.01252 2.05341 R20 2.04228 0.00412 0.00000 0.01106 0.01106 2.05334 A1 1.94587 -0.00105 0.00000 -0.04622 -0.04998 1.89589 A2 1.86504 -0.00146 0.00000 -0.02943 -0.03263 1.83241 A3 1.69111 -0.01206 0.00000 -0.07705 -0.07633 1.61479 A4 2.03543 0.00583 0.00000 0.03553 0.03581 2.07124 A5 2.00652 -0.00226 0.00000 -0.02613 -0.02622 1.98030 A6 2.07754 0.00563 0.00000 0.03859 0.03862 2.11617 A7 2.19883 -0.00338 0.00000 -0.01273 -0.01273 2.18610 A8 1.86502 0.00196 0.00000 0.03338 0.03298 1.89800 A9 1.89062 0.00075 0.00000 0.01791 0.01794 1.90856 A10 1.80307 0.00279 0.00000 0.02879 0.02959 1.83265 A11 1.89748 0.00333 0.00000 0.00700 0.00546 1.90294 A12 2.00230 -0.00273 0.00000 -0.02949 -0.03060 1.97170 A13 1.99576 -0.00546 0.00000 -0.04745 -0.04803 1.94773 A14 1.96048 -0.00353 0.00000 -0.02946 -0.02984 1.93064 A15 2.13048 -0.00134 0.00000 0.00291 0.00308 2.13356 A16 2.19221 0.00487 0.00000 0.02650 0.02663 2.21885 A17 1.96168 -0.00088 0.00000 -0.01585 -0.01596 1.94571 A18 2.18192 0.00411 0.00000 0.02169 0.02175 2.20367 A19 2.13935 -0.00325 0.00000 -0.00596 -0.00594 2.13341 A20 1.80784 0.00604 0.00000 0.03954 0.03819 1.84604 A21 1.83002 0.00606 0.00000 0.04960 0.04937 1.87939 A22 1.92215 -0.00880 0.00000 -0.07041 -0.07019 1.85196 A23 1.92824 -0.00242 0.00000 0.00137 0.00028 1.92852 A24 1.97249 -0.00107 0.00000 -0.01452 -0.01411 1.95838 A25 1.98885 0.00100 0.00000 0.00097 0.00139 1.99023 A26 2.02690 -0.00122 0.00000 -0.01918 -0.01911 2.00779 A27 2.18518 -0.00325 0.00000 -0.01258 -0.01265 2.17253 A28 2.07110 0.00448 0.00000 0.03181 0.03174 2.10284 A29 2.15362 -0.00167 0.00000 -0.00958 -0.00959 2.14404 A30 2.15654 -0.00487 0.00000 -0.02799 -0.02799 2.12855 A31 1.97296 0.00653 0.00000 0.03762 0.03762 2.01058 A32 2.15742 -0.00472 0.00000 -0.02713 -0.02713 2.13028 A33 2.15407 -0.00221 0.00000 -0.01272 -0.01272 2.14135 A34 1.97155 0.00693 0.00000 0.03993 0.03992 2.01148 D1 -1.88277 0.00499 0.00000 0.06222 0.05966 -1.82311 D2 0.05796 -0.00259 0.00000 -0.01968 -0.01810 0.03986 D3 0.92412 -0.00582 0.00000 -0.09689 -0.09689 0.82722 D4 2.94656 -0.00361 0.00000 -0.05939 -0.05709 2.88947 D5 -1.18997 -0.00359 0.00000 -0.06703 -0.06609 -1.25607 D6 -1.08257 0.00042 0.00000 -0.00878 -0.01085 -1.09342 D7 0.93988 0.00264 0.00000 0.02872 0.02895 0.96883 D8 3.08653 0.00266 0.00000 0.02107 0.01995 3.10648 D9 -1.03891 -0.00023 0.00000 0.00024 0.00016 -1.03875 D10 1.00267 0.00507 0.00000 0.03508 0.03479 1.03746 D11 3.12575 0.00060 0.00000 0.00413 0.00381 3.12956 D12 1.10972 -0.00113 0.00000 -0.02125 -0.02109 1.08862 D13 -0.92732 -0.00475 0.00000 -0.06356 -0.06378 -0.99110 D14 3.09674 0.00207 0.00000 0.01949 0.01915 3.11589 D15 -2.00745 -0.00108 0.00000 -0.00984 -0.00970 -2.01715 D16 2.23870 -0.00469 0.00000 -0.05216 -0.05239 2.18632 D17 -0.02042 0.00212 0.00000 0.03090 0.03054 0.01012 D18 0.03330 -0.00193 0.00000 0.00668 0.00610 0.03940 D19 -3.11323 -0.00092 0.00000 0.01939 0.01875 -3.09448 D20 -3.13468 -0.00184 0.00000 -0.00483 -0.00502 -3.13970 D21 0.00197 -0.00083 0.00000 0.00788 0.00764 0.00961 D22 -1.12869 0.00005 0.00000 0.01727 0.01743 -1.11126 D23 2.00843 -0.00016 0.00000 0.00465 0.00518 2.01360 D24 0.89187 0.00453 0.00000 0.07005 0.07001 0.96188 D25 -2.25419 0.00432 0.00000 0.05743 0.05775 -2.19644 D26 -3.12857 -0.00076 0.00000 -0.00287 -0.00256 -3.13113 D27 0.00855 -0.00097 0.00000 -0.01549 -0.01482 -0.00627 D28 -0.02208 0.00106 0.00000 -0.02319 -0.02220 -0.04428 D29 3.09609 0.00050 0.00000 -0.02916 -0.02848 3.06761 D30 3.12417 0.00130 0.00000 -0.00996 -0.00911 3.11506 D31 -0.04085 0.00074 0.00000 -0.01593 -0.01539 -0.05624 D32 -3.13689 -0.00004 0.00000 0.00333 0.00335 -3.13354 D33 -0.00790 0.00021 0.00000 0.00914 0.00916 0.00126 D34 -0.00038 -0.00030 0.00000 -0.01118 -0.01120 -0.01158 D35 3.12861 -0.00005 0.00000 -0.00537 -0.00539 3.12322 D36 1.09572 0.00597 0.00000 0.05740 0.05791 1.15363 D37 -0.85594 -0.00298 0.00000 -0.01960 -0.01961 -0.87555 D38 -3.10765 -0.00141 0.00000 -0.01010 -0.01025 -3.11790 D39 -2.02310 0.00640 0.00000 0.06277 0.06345 -1.95965 D40 2.30842 -0.00255 0.00000 -0.01423 -0.01406 2.29436 D41 0.05671 -0.00098 0.00000 -0.00474 -0.00470 0.05201 D42 -3.12586 0.00042 0.00000 0.00642 0.00660 -3.11926 D43 -0.00385 0.00067 0.00000 0.01223 0.01241 0.00856 D44 -0.00997 -0.00015 0.00000 -0.00019 -0.00037 -0.01035 D45 3.11204 0.00010 0.00000 0.00562 0.00544 3.11748 D46 -1.05614 -0.00547 0.00000 -0.04293 -0.04300 -1.09914 D47 2.09005 -0.00639 0.00000 -0.05464 -0.05498 2.03507 D48 0.88119 0.00348 0.00000 0.02801 0.02798 0.90918 D49 -2.25580 0.00256 0.00000 0.01630 0.01600 -2.23980 D50 3.12405 0.00075 0.00000 0.01006 0.01005 3.13410 D51 -0.01294 -0.00017 0.00000 -0.00166 -0.00193 -0.01487 Item Value Threshold Converged? Maximum Force 0.035097 0.000450 NO RMS Force 0.005702 0.000300 NO Maximum Displacement 0.163014 0.001800 NO RMS Displacement 0.041911 0.001200 NO Predicted change in Energy=-7.526525D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.688039 0.113844 -0.221171 2 8 0 1.696976 1.488430 -0.758211 3 8 0 0.672664 -0.847848 -1.200874 4 6 0 -0.492717 -1.982624 0.598215 5 6 0 -0.657603 -1.210380 -0.694613 6 6 0 -1.453009 0.054326 -0.418256 7 6 0 -0.810994 0.850927 0.655774 8 6 0 0.414308 0.149359 1.211001 9 6 0 0.088746 -1.275790 1.568616 10 1 0 -0.798464 -3.021083 0.676642 11 1 0 -1.110464 -1.803747 -1.490146 12 1 0 0.882167 0.713954 2.018093 13 1 0 0.331441 -1.666084 2.552469 14 6 0 -2.561521 0.362590 -1.098633 15 1 0 -3.133893 1.268060 -0.914068 16 1 0 -2.950837 -0.278693 -1.885030 17 6 0 -1.202183 2.053614 1.089845 18 1 0 -0.666949 2.587089 1.870659 19 1 0 -2.065588 2.572339 0.682273 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.475798 0.000000 3 O 1.707529 2.589085 0.000000 4 C 3.134051 4.322369 2.425398 0.000000 5 C 2.734914 3.582132 1.468789 1.514910 0.000000 6 C 3.147788 3.477734 2.438216 2.470737 1.519384 7 C 2.749089 2.948844 2.921339 2.851951 2.469020 8 C 1.916969 2.704837 2.622653 2.396571 2.574732 9 C 2.773474 3.954926 2.862546 1.333939 2.384014 10 H 4.100798 5.349929 3.226800 1.085371 2.275704 11 H 3.622026 4.388152 2.043763 2.185146 1.090889 12 H 2.454357 2.995262 3.583973 3.343335 3.665068 13 H 3.563928 4.772447 3.856621 2.144421 3.424824 14 C 4.346329 4.417941 3.454789 3.557987 2.502473 15 H 5.006331 4.838404 4.364539 4.453062 3.510390 16 H 4.943853 5.098491 3.731189 3.887447 2.746645 17 C 3.719524 3.484231 4.144988 4.127501 3.759590 18 H 4.004830 3.702182 4.798716 4.746762 4.582737 19 H 4.577130 4.172139 4.768852 4.819614 4.264645 6 7 8 9 10 6 C 0.000000 7 C 1.483339 0.000000 8 C 2.479996 1.517181 0.000000 9 C 2.844974 2.483090 1.504968 0.000000 10 H 3.329471 3.872086 3.436286 2.151467 0.000000 11 H 2.172262 3.426652 3.665480 3.327592 2.504840 12 H 3.438597 2.177491 1.090439 2.188750 4.309816 13 H 3.869015 3.352305 2.258813 1.085908 2.575158 14 C 1.336689 2.526017 3.772988 4.101515 4.208232 15 H 2.131748 2.834478 4.284523 4.797947 5.136277 16 H 2.122691 3.508654 4.592694 4.707541 4.326151 17 C 2.516830 1.337125 2.500782 3.602867 5.107473 18 H 3.503128 2.123900 2.747143 3.947675 5.735379 19 H 2.815458 2.130251 3.507174 4.498317 5.735155 11 12 13 14 15 11 H 0.000000 12 H 4.755747 0.000000 13 H 4.294273 2.500687 0.000000 14 C 2.636639 4.657942 5.080876 0.000000 15 H 3.723188 5.003333 5.712672 1.086991 0.000000 16 H 2.422539 5.559823 5.691187 1.086844 1.835408 17 C 4.641551 2.645912 4.281054 3.081688 2.892104 18 H 5.547175 2.435186 4.421665 4.165872 3.947195 19 H 4.978131 3.731925 5.216091 2.881071 2.321793 16 17 18 19 16 H 0.000000 17 C 4.165012 0.000000 18 H 5.247289 1.086619 0.000000 19 H 3.937397 1.086581 1.835393 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.720867 0.140095 -0.275849 2 8 0 1.671222 1.460777 -0.932593 3 8 0 0.730773 -0.941588 -1.150680 4 6 0 -0.368823 -1.953503 0.759678 5 6 0 -0.578554 -1.306056 -0.593754 6 6 0 -1.417843 -0.051742 -0.418204 7 6 0 -0.793415 0.860345 0.570979 8 6 0 0.464237 0.256376 1.167110 9 6 0 0.197238 -1.142213 1.654540 10 1 0 -0.634062 -2.991345 0.934496 11 1 0 -1.018281 -1.984117 -1.326497 12 1 0 0.920179 0.907378 1.913682 13 1 0 0.466495 -1.434160 2.665215 14 6 0 -2.545432 0.153880 -1.105955 15 1 0 -3.149381 1.050620 -0.993464 16 1 0 -2.919738 -0.568733 -1.826340 17 6 0 -1.224538 2.081782 0.902835 18 1 0 -0.700416 2.701935 1.624947 19 1 0 -2.111859 2.530166 0.464348 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3581104 1.1014880 0.9457981 Standard basis: 6-31G(d) (6D, 7F) There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.7840765825 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.27D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.998997 -0.024082 0.008031 0.036874 Ang= -5.13 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.173430191 A.U. after 13 cycles NFock= 13 Conv=0.62D-08 -V/T= 2.0066 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 -0.008579953 -0.006179968 -0.000750368 2 8 0.003927759 0.009803061 -0.003386688 3 8 0.002168879 -0.003192766 -0.001323476 4 6 -0.000788429 -0.000018198 -0.006023226 5 6 -0.001881851 -0.001868262 0.001356464 6 6 0.002294328 0.000657518 0.000009761 7 6 0.001302713 -0.001559890 -0.002019261 8 6 -0.003708186 -0.003118462 0.007516200 9 6 0.002113994 0.004196483 0.004185106 10 1 -0.000306586 0.000359826 0.000746740 11 1 0.001391948 0.000402114 -0.001150421 12 1 0.000955994 0.000539252 0.000100979 13 1 0.000328421 -0.000320153 -0.000092816 14 6 -0.003097763 0.000495623 -0.001539286 15 1 0.000992388 -0.000100733 0.001488814 16 1 0.001679055 -0.000934645 0.000285209 17 6 0.000532450 0.004028861 0.001618240 18 1 0.001141980 -0.001395860 -0.000371780 19 1 -0.000467142 -0.001793802 -0.000650192 ------------------------------------------------------------------- Cartesian Forces: Max 0.009803061 RMS 0.002909378 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.010387198 RMS 0.001663720 Search for a local minimum. Step number 2 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -6.11D-03 DEPred=-7.53D-03 R= 8.12D-01 TightC=F SS= 1.41D+00 RLast= 3.26D-01 DXNew= 5.0454D-01 9.7745D-01 Trust test= 8.12D-01 RLast= 3.26D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00863 0.01201 0.01264 0.01267 0.01762 Eigenvalues --- 0.01974 0.02074 0.02937 0.02942 0.02968 Eigenvalues --- 0.02970 0.05176 0.05280 0.05612 0.07422 Eigenvalues --- 0.08211 0.09148 0.10528 0.11331 0.13249 Eigenvalues --- 0.13818 0.15075 0.15983 0.16000 0.16000 Eigenvalues --- 0.16000 0.16042 0.18667 0.20474 0.21879 Eigenvalues --- 0.24829 0.24996 0.28303 0.28551 0.29766 Eigenvalues --- 0.31146 0.32021 0.32715 0.33241 0.34063 Eigenvalues --- 0.35611 0.35754 0.35875 0.35910 0.36010 Eigenvalues --- 0.36058 0.37230 0.52510 0.58204 0.58686 Eigenvalues --- 0.87910 RFO step: Lambda=-1.18566926D-03 EMin= 8.63156566D-03 Quartic linear search produced a step of -0.09305. Iteration 1 RMS(Cart)= 0.01396516 RMS(Int)= 0.00014790 Iteration 2 RMS(Cart)= 0.00016721 RMS(Int)= 0.00006366 Iteration 3 RMS(Cart)= 0.00000002 RMS(Int)= 0.00006366 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.78885 0.01039 -0.00345 0.01681 0.01336 2.80221 R2 3.22676 -0.00044 -0.00097 -0.00103 -0.00200 3.22476 R3 3.62255 0.00148 -0.00655 0.02192 0.01534 3.63789 R4 2.77561 -0.00007 -0.00430 0.00622 0.00195 2.77756 R5 2.86277 -0.00130 -0.00010 -0.00310 -0.00319 2.85958 R6 2.52078 0.00467 0.00153 0.00560 0.00716 2.52794 R7 2.05105 -0.00020 -0.00104 0.00151 0.00047 2.05153 R8 2.87122 0.00000 0.00127 -0.00122 0.00004 2.87126 R9 2.06148 0.00004 0.00308 -0.00591 -0.00283 2.05866 R10 2.80311 0.00111 0.00017 0.00231 0.00245 2.80555 R11 2.52598 0.00011 -0.00058 0.00129 0.00071 2.52669 R12 2.86706 -0.00182 -0.00129 -0.00423 -0.00552 2.86153 R13 2.52680 0.00060 -0.00028 0.00148 0.00119 2.52800 R14 2.84398 -0.00282 -0.00220 -0.00240 -0.00459 2.83938 R15 2.06063 0.00076 0.00247 -0.00274 -0.00027 2.06036 R16 2.05207 0.00010 -0.00049 0.00122 0.00073 2.05280 R17 2.05412 -0.00035 -0.00086 0.00079 -0.00007 2.05404 R18 2.05384 -0.00026 -0.00102 0.00135 0.00033 2.05417 R19 2.05341 -0.00039 -0.00117 0.00129 0.00013 2.05354 R20 2.05334 -0.00024 -0.00103 0.00140 0.00037 2.05371 A1 1.89589 0.00200 0.00465 0.02092 0.02555 1.92144 A2 1.83241 0.00364 0.00304 0.02120 0.02415 1.85656 A3 1.61479 0.00268 0.00710 0.00533 0.01224 1.62702 A4 2.07124 -0.00211 -0.00333 -0.00854 -0.01193 2.05931 A5 1.98030 0.00145 0.00244 0.00460 0.00702 1.98732 A6 2.11617 -0.00014 -0.00359 0.00605 0.00243 2.11859 A7 2.18610 -0.00132 0.00118 -0.01025 -0.00909 2.17701 A8 1.89800 0.00090 -0.00307 0.00510 0.00202 1.90002 A9 1.90856 -0.00029 -0.00167 0.00342 0.00175 1.91031 A10 1.83265 -0.00136 -0.00275 -0.00672 -0.00951 1.82315 A11 1.90294 -0.00123 -0.00051 -0.00333 -0.00367 1.89927 A12 1.97170 0.00070 0.00285 0.00350 0.00645 1.97815 A13 1.94773 0.00128 0.00447 -0.00167 0.00283 1.95057 A14 1.93064 0.00068 0.00278 0.00121 0.00397 1.93461 A15 2.13356 -0.00095 -0.00029 -0.00481 -0.00514 2.12841 A16 2.21885 0.00027 -0.00248 0.00383 0.00131 2.22016 A17 1.94571 0.00053 0.00149 -0.00027 0.00123 1.94695 A18 2.20367 0.00128 -0.00202 0.00822 0.00616 2.20983 A19 2.13341 -0.00181 0.00055 -0.00819 -0.00766 2.12575 A20 1.84604 -0.00331 -0.00355 -0.01771 -0.02114 1.82489 A21 1.87939 0.00046 -0.00459 0.00849 0.00391 1.88330 A22 1.85196 0.00102 0.00653 -0.01251 -0.00600 1.84596 A23 1.92852 0.00108 -0.00003 0.00436 0.00442 1.93294 A24 1.95838 0.00076 0.00131 0.00555 0.00664 1.96502 A25 1.99023 -0.00030 -0.00013 0.00901 0.00879 1.99902 A26 2.00779 -0.00119 0.00178 -0.00448 -0.00272 2.00507 A27 2.17253 0.00040 0.00118 -0.00298 -0.00182 2.17071 A28 2.10284 0.00079 -0.00295 0.00738 0.00441 2.10726 A29 2.14404 -0.00100 0.00089 -0.00738 -0.00649 2.13754 A30 2.12855 -0.00146 0.00260 -0.01338 -0.01078 2.11777 A31 2.01058 0.00246 -0.00350 0.02080 0.01729 2.02787 A32 2.13028 -0.00116 0.00252 -0.01153 -0.00901 2.12127 A33 2.14135 -0.00132 0.00118 -0.00976 -0.00858 2.13277 A34 2.01148 0.00248 -0.00372 0.02138 0.01765 2.02913 D1 -1.82311 -0.00306 -0.00555 -0.01071 -0.01634 -1.83945 D2 0.03986 0.00210 0.00168 0.01690 0.01850 0.05836 D3 0.82722 0.00199 0.00902 0.01153 0.02067 0.84790 D4 2.88947 0.00177 0.00531 0.01167 0.01690 2.90637 D5 -1.25607 0.00224 0.00615 0.01993 0.02604 -1.23003 D6 -1.09342 -0.00144 0.00101 -0.01501 -0.01401 -1.10743 D7 0.96883 -0.00166 -0.00269 -0.01487 -0.01779 0.95104 D8 3.10648 -0.00119 -0.00186 -0.00661 -0.00864 3.09783 D9 -1.03875 -0.00068 -0.00001 -0.01284 -0.01287 -1.05162 D10 1.03746 -0.00180 -0.00324 -0.01187 -0.01509 1.02236 D11 3.12956 -0.00121 -0.00035 -0.01584 -0.01618 3.11338 D12 1.08862 0.00018 0.00196 0.00796 0.00989 1.09851 D13 -0.99110 0.00072 0.00594 0.00280 0.00874 -0.98237 D14 3.11589 -0.00052 -0.00178 0.00498 0.00323 3.11912 D15 -2.01715 0.00028 0.00090 -0.00341 -0.00259 -2.01973 D16 2.18632 0.00081 0.00487 -0.00857 -0.00374 2.18257 D17 0.01012 -0.00042 -0.00284 -0.00639 -0.00925 0.00087 D18 0.03940 0.00082 -0.00057 -0.00274 -0.00329 0.03611 D19 -3.09448 0.00100 -0.00175 0.00910 0.00737 -3.08711 D20 -3.13970 0.00075 0.00047 0.00957 0.00997 -3.12973 D21 0.00961 0.00093 -0.00071 0.02141 0.02063 0.03024 D22 -1.11126 -0.00089 -0.00162 -0.00104 -0.00264 -1.11390 D23 2.01360 -0.00072 -0.00048 0.01289 0.01236 2.02597 D24 0.96188 -0.00070 -0.00651 0.00517 -0.00134 0.96054 D25 -2.19644 -0.00053 -0.00537 0.01910 0.01367 -2.18277 D26 -3.13113 0.00021 0.00024 0.00606 0.00627 -3.12486 D27 -0.00627 0.00038 0.00138 0.01999 0.02128 0.01501 D28 -0.04428 -0.00099 0.00207 -0.01166 -0.00968 -0.05396 D29 3.06761 -0.00088 0.00265 -0.02114 -0.01860 3.04901 D30 3.11506 -0.00115 0.00085 -0.02634 -0.02559 3.08947 D31 -0.05624 -0.00105 0.00143 -0.03581 -0.03451 -0.09075 D32 -3.13354 -0.00053 -0.00031 -0.02175 -0.02204 3.12761 D33 0.00126 -0.00034 -0.00085 -0.01492 -0.01575 -0.01449 D34 -0.01158 -0.00034 0.00104 -0.00545 -0.00443 -0.01601 D35 3.12322 -0.00014 0.00050 0.00138 0.00186 3.12508 D36 1.15363 -0.00024 -0.00539 0.00949 0.00403 1.15766 D37 -0.87555 0.00051 0.00182 0.00716 0.00897 -0.86658 D38 -3.11790 -0.00058 0.00095 -0.01298 -0.01209 -3.12999 D39 -1.95965 -0.00040 -0.00590 0.01820 0.01219 -1.94746 D40 2.29436 0.00036 0.00131 0.01587 0.01713 2.31149 D41 0.05201 -0.00073 0.00044 -0.00427 -0.00393 0.04808 D42 -3.11926 0.00020 -0.00061 0.01403 0.01340 -3.10586 D43 0.00856 0.00044 -0.00115 0.02228 0.02112 0.02968 D44 -0.01035 0.00036 0.00003 0.00377 0.00381 -0.00653 D45 3.11748 0.00059 -0.00051 0.01202 0.01153 3.12900 D46 -1.09914 0.00211 0.00400 0.01427 0.01827 -1.08087 D47 2.03507 0.00193 0.00512 0.00289 0.00801 2.04308 D48 0.90918 -0.00100 -0.00260 0.00024 -0.00239 0.90679 D49 -2.23980 -0.00118 -0.00149 -0.01113 -0.01265 -2.25245 D50 3.13410 0.00071 -0.00094 0.01884 0.01789 -3.13120 D51 -0.01487 0.00053 0.00018 0.00746 0.00762 -0.00725 Item Value Threshold Converged? Maximum Force 0.010387 0.000450 NO RMS Force 0.001664 0.000300 NO Maximum Displacement 0.049844 0.001800 NO RMS Displacement 0.013943 0.001200 NO Predicted change in Energy=-6.666620D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.669844 0.127653 -0.223644 2 8 0 1.715735 1.509938 -0.758500 3 8 0 0.675234 -0.849024 -1.207970 4 6 0 -0.495006 -1.980979 0.591370 5 6 0 -0.656221 -1.209761 -0.700559 6 6 0 -1.450743 0.054750 -0.420680 7 6 0 -0.812909 0.851694 0.657367 8 6 0 0.401950 0.148053 1.224801 9 6 0 0.076987 -1.276665 1.574367 10 1 0 -0.804808 -3.018245 0.673080 11 1 0 -1.102373 -1.798042 -1.501591 12 1 0 0.877164 0.713856 2.026538 13 1 0 0.318159 -1.676554 2.555163 14 6 0 -2.567115 0.352402 -1.093633 15 1 0 -3.148950 1.248047 -0.891755 16 1 0 -2.943146 -0.296769 -1.880263 17 6 0 -1.189595 2.062331 1.084053 18 1 0 -0.640573 2.587432 1.861055 19 1 0 -2.053514 2.578164 0.673386 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.482866 0.000000 3 O 1.706471 2.617130 0.000000 4 C 3.130040 4.346956 2.426603 0.000000 5 C 2.725198 3.609196 1.469820 1.513224 0.000000 6 C 3.127651 3.501182 2.440576 2.466146 1.519403 7 C 2.732120 2.971869 2.930272 2.851221 2.473482 8 C 1.925088 2.741213 2.643335 2.395526 2.582711 9 C 2.782471 3.986593 2.877877 1.337729 2.391100 10 H 4.101791 5.376524 3.230231 1.085622 2.275868 11 H 3.609243 4.408702 2.036354 2.186971 1.089394 12 H 2.456683 3.015524 3.597973 3.347342 3.672687 13 H 3.578266 4.804927 3.869558 2.147184 3.430312 14 C 4.331191 4.449158 3.459671 3.546483 2.499275 15 H 4.992237 4.873552 4.372881 4.435052 3.505863 16 H 4.919776 5.121299 3.721510 3.865090 2.730436 17 C 3.691808 3.484406 4.148126 4.132016 3.765091 18 H 3.966675 3.684461 4.791607 4.743804 4.580479 19 H 4.546764 4.171168 4.767723 4.818865 4.264801 6 7 8 9 10 6 C 0.000000 7 C 1.484634 0.000000 8 C 2.479675 1.514258 0.000000 9 C 2.843737 2.482482 1.502537 0.000000 10 H 3.325183 3.869980 3.433090 2.150113 0.000000 11 H 2.173147 3.430159 3.671987 3.335303 2.511301 12 H 3.441286 2.179444 1.090295 2.192468 4.311549 13 H 3.870669 3.357527 2.259663 1.086295 2.569714 14 C 1.337067 2.528346 3.772565 4.094309 4.193836 15 H 2.128327 2.830894 4.277697 4.781485 5.113214 16 H 2.116887 3.506628 4.585734 4.692107 4.300986 17 C 2.522459 1.337757 2.493450 3.604655 5.111675 18 H 3.503879 2.119281 2.728048 3.940600 5.732528 19 H 2.815658 2.126042 3.498400 4.495610 5.734027 11 12 13 14 15 11 H 0.000000 12 H 4.761921 0.000000 13 H 4.299991 2.511174 0.000000 14 C 2.633688 4.661456 5.074957 0.000000 15 H 3.720086 5.001139 5.696962 1.086953 0.000000 16 H 2.405340 5.556907 5.675643 1.087018 1.845524 17 C 4.647111 2.641621 4.291475 3.092528 2.899301 18 H 5.545542 2.416857 4.425216 4.175776 3.957761 19 H 4.978592 3.727672 5.221929 2.887933 2.327844 16 17 18 19 16 H 0.000000 17 C 4.174620 0.000000 18 H 5.255275 1.086687 0.000000 19 H 3.946873 1.086778 1.845818 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.709885 0.093976 -0.270408 2 8 0 1.742918 1.423667 -0.925940 3 8 0 0.710121 -0.970263 -1.153532 4 6 0 -0.435214 -1.943483 0.751581 5 6 0 -0.614025 -1.290366 -0.601679 6 6 0 -1.412174 -0.009459 -0.426119 7 6 0 -0.767236 0.882522 0.570155 8 6 0 0.457184 0.237093 1.184316 9 6 0 0.143375 -1.152463 1.662099 10 1 0 -0.738705 -2.970760 0.928127 11 1 0 -1.065478 -1.949161 -1.342596 12 1 0 0.937823 0.873684 1.927606 13 1 0 0.396925 -1.462914 2.671736 14 6 0 -2.537095 0.222659 -1.110532 15 1 0 -3.121460 1.130157 -0.982348 16 1 0 -2.917962 -0.495210 -1.832483 17 6 0 -1.145754 2.124554 0.892140 18 1 0 -0.591359 2.718731 1.613590 19 1 0 -2.016627 2.598297 0.446905 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3513931 1.1021378 0.9451435 Standard basis: 6-31G(d) (6D, 7F) There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.1176289855 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.19D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999875 -0.000419 0.002405 0.015603 Ang= -1.81 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.174110167 A.U. after 12 cycles NFock= 12 Conv=0.87D-08 -V/T= 2.0066 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 0.001869466 -0.004017904 -0.001544626 2 8 -0.001322570 0.002187622 -0.000015658 3 8 0.000974550 -0.000013177 0.000744660 4 6 0.000035174 0.000382092 -0.002067674 5 6 -0.001080026 -0.000366031 0.001051641 6 6 0.001195188 0.000484382 0.001088390 7 6 -0.000101527 -0.001123319 -0.000615332 8 6 -0.003053606 -0.001203823 0.002734063 9 6 0.001526502 0.002296494 -0.000141840 10 1 -0.000034920 0.000333765 0.000122106 11 1 0.000045183 -0.000404724 -0.000991751 12 1 0.000600895 0.000405134 0.000200261 13 1 -0.000005506 0.000126644 -0.000319337 14 6 -0.001650010 0.000133445 -0.000514462 15 1 0.000485828 -0.000346935 0.000287321 16 1 0.000588541 0.000220732 0.000309314 17 6 -0.000361793 0.001979131 0.000310796 18 1 -0.000206165 -0.000700609 -0.000384820 19 1 0.000494795 -0.000372920 -0.000253053 ------------------------------------------------------------------- Cartesian Forces: Max 0.004017904 RMS 0.001173039 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002388928 RMS 0.000584923 Search for a local minimum. Step number 3 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 1 2 3 DE= -6.80D-04 DEPred=-6.67D-04 R= 1.02D+00 TightC=F SS= 1.41D+00 RLast= 1.21D-01 DXNew= 8.4853D-01 3.6169D-01 Trust test= 1.02D+00 RLast= 1.21D-01 DXMaxT set to 5.05D-01 ITU= 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00839 0.01184 0.01233 0.01260 0.01760 Eigenvalues --- 0.01971 0.02049 0.02936 0.02942 0.02967 Eigenvalues --- 0.02995 0.04793 0.05280 0.05621 0.07524 Eigenvalues --- 0.08357 0.09000 0.10433 0.11314 0.12957 Eigenvalues --- 0.14116 0.15979 0.15993 0.16000 0.16000 Eigenvalues --- 0.16028 0.16787 0.18026 0.21177 0.22108 Eigenvalues --- 0.24997 0.25328 0.28303 0.28642 0.29791 Eigenvalues --- 0.30940 0.32110 0.32846 0.33245 0.34383 Eigenvalues --- 0.35638 0.35763 0.35887 0.35939 0.36042 Eigenvalues --- 0.36255 0.37150 0.51763 0.58152 0.58675 Eigenvalues --- 0.84950 RFO step: Lambda=-2.63886680D-04 EMin= 8.39193386D-03 Quartic linear search produced a step of 0.04564. Iteration 1 RMS(Cart)= 0.01509727 RMS(Int)= 0.00009706 Iteration 2 RMS(Cart)= 0.00014064 RMS(Int)= 0.00001781 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001781 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.80221 0.00200 0.00061 0.00537 0.00598 2.80819 R2 3.22476 -0.00094 -0.00009 -0.00250 -0.00259 3.22218 R3 3.63789 0.00144 0.00070 0.01226 0.01296 3.65085 R4 2.77756 0.00025 0.00009 0.00176 0.00184 2.77940 R5 2.85958 -0.00144 -0.00015 -0.00570 -0.00585 2.85373 R6 2.52794 0.00112 0.00033 0.00292 0.00325 2.53119 R7 2.05153 -0.00030 0.00002 -0.00056 -0.00054 2.05099 R8 2.87126 0.00024 0.00000 0.00054 0.00053 2.87179 R9 2.05866 0.00093 -0.00013 0.00180 0.00167 2.06032 R10 2.80555 -0.00068 0.00011 -0.00211 -0.00200 2.80355 R11 2.52669 0.00044 0.00003 0.00104 0.00107 2.52777 R12 2.86153 -0.00003 -0.00025 -0.00109 -0.00133 2.86020 R13 2.52800 0.00074 0.00005 0.00160 0.00165 2.52965 R14 2.83938 -0.00239 -0.00021 -0.00772 -0.00793 2.83146 R15 2.06036 0.00062 -0.00001 0.00136 0.00135 2.06171 R16 2.05280 -0.00034 0.00003 -0.00075 -0.00072 2.05208 R17 2.05404 -0.00049 0.00000 -0.00127 -0.00127 2.05277 R18 2.05417 -0.00056 0.00001 -0.00135 -0.00133 2.05283 R19 2.05354 -0.00072 0.00001 -0.00181 -0.00181 2.05174 R20 2.05371 -0.00047 0.00002 -0.00109 -0.00108 2.05264 A1 1.92144 -0.00027 0.00117 -0.00180 -0.00064 1.92080 A2 1.85656 -0.00217 0.00110 -0.01369 -0.01260 1.84396 A3 1.62702 0.00035 0.00056 0.00177 0.00229 1.62931 A4 2.05931 -0.00011 -0.00054 -0.00033 -0.00091 2.05840 A5 1.98732 0.00026 0.00032 0.00288 0.00319 1.99051 A6 2.11859 -0.00003 0.00011 0.00081 0.00091 2.11951 A7 2.17701 -0.00022 -0.00042 -0.00358 -0.00400 2.17301 A8 1.90002 -0.00033 0.00009 -0.00541 -0.00531 1.89471 A9 1.91031 0.00017 0.00008 0.00357 0.00363 1.91393 A10 1.82315 -0.00025 -0.00043 -0.00373 -0.00415 1.81900 A11 1.89927 -0.00032 -0.00017 -0.00234 -0.00251 1.89676 A12 1.97815 0.00042 0.00029 0.00440 0.00468 1.98284 A13 1.95057 0.00030 0.00013 0.00333 0.00346 1.95402 A14 1.93461 0.00041 0.00018 0.00297 0.00312 1.93774 A15 2.12841 0.00000 -0.00023 -0.00143 -0.00167 2.12674 A16 2.22016 -0.00041 0.00006 -0.00152 -0.00147 2.21869 A17 1.94695 -0.00002 0.00006 0.00053 0.00055 1.94750 A18 2.20983 -0.00031 0.00028 -0.00036 -0.00012 2.20970 A19 2.12575 0.00033 -0.00035 -0.00071 -0.00110 2.12465 A20 1.82489 -0.00012 -0.00097 -0.00920 -0.01015 1.81474 A21 1.88330 -0.00081 0.00018 -0.00352 -0.00334 1.87996 A22 1.84596 0.00013 -0.00027 -0.00500 -0.00525 1.84071 A23 1.93294 0.00038 0.00020 0.00547 0.00563 1.93856 A24 1.96502 0.00005 0.00030 0.00376 0.00396 1.96898 A25 1.99902 0.00027 0.00040 0.00597 0.00632 2.00534 A26 2.00507 0.00009 -0.00012 0.00115 0.00103 2.00610 A27 2.17071 -0.00002 -0.00008 -0.00141 -0.00150 2.16922 A28 2.10726 -0.00007 0.00020 0.00026 0.00046 2.10772 A29 2.13754 -0.00034 -0.00030 -0.00358 -0.00387 2.13367 A30 2.11777 -0.00020 -0.00049 -0.00376 -0.00425 2.11352 A31 2.02787 0.00054 0.00079 0.00734 0.00812 2.03599 A32 2.12127 -0.00027 -0.00041 -0.00392 -0.00434 2.11694 A33 2.13277 -0.00023 -0.00039 -0.00330 -0.00370 2.12907 A34 2.02913 0.00051 0.00081 0.00721 0.00801 2.03715 D1 -1.83945 0.00200 -0.00075 0.02456 0.02380 -1.81564 D2 0.05836 -0.00025 0.00084 0.01016 0.01100 0.06936 D3 0.84790 -0.00022 0.00094 -0.01076 -0.00981 0.83809 D4 2.90637 -0.00023 0.00077 -0.01075 -0.00996 2.89641 D5 -1.23003 -0.00028 0.00119 -0.00845 -0.00727 -1.23730 D6 -1.10743 0.00034 -0.00064 -0.00700 -0.00766 -1.11508 D7 0.95104 0.00033 -0.00081 -0.00699 -0.00780 0.94324 D8 3.09783 0.00028 -0.00039 -0.00469 -0.00512 3.09271 D9 -1.05162 0.00031 -0.00059 -0.00822 -0.00879 -1.06040 D10 1.02236 -0.00017 -0.00069 -0.01216 -0.01285 1.00951 D11 3.11338 0.00012 -0.00074 -0.00854 -0.00929 3.10409 D12 1.09851 0.00025 0.00045 0.00280 0.00325 1.10176 D13 -0.98237 0.00043 0.00040 0.00300 0.00340 -0.97896 D14 3.11912 -0.00002 0.00015 -0.00271 -0.00257 3.11655 D15 -2.01973 0.00013 -0.00012 -0.00175 -0.00188 -2.02161 D16 2.18257 0.00030 -0.00017 -0.00155 -0.00173 2.18085 D17 0.00087 -0.00015 -0.00042 -0.00726 -0.00770 -0.00683 D18 0.03611 0.00021 -0.00015 0.00229 0.00213 0.03825 D19 -3.08711 0.00006 0.00034 0.00234 0.00267 -3.08444 D20 -3.12973 0.00035 0.00045 0.00709 0.00753 -3.12221 D21 0.03024 0.00020 0.00094 0.00713 0.00806 0.03829 D22 -1.11390 0.00018 -0.00012 0.00855 0.00844 -1.10547 D23 2.02597 0.00013 0.00056 0.01494 0.01551 2.04148 D24 0.96054 -0.00031 -0.00006 0.00270 0.00264 0.96318 D25 -2.18277 -0.00036 0.00062 0.00909 0.00971 -2.17306 D26 -3.12486 0.00021 0.00029 0.00901 0.00929 -3.11556 D27 0.01501 0.00016 0.00097 0.01540 0.01636 0.03138 D28 -0.05396 -0.00039 -0.00044 -0.01176 -0.01221 -0.06617 D29 3.04901 -0.00050 -0.00085 -0.02764 -0.02850 3.02051 D30 3.08947 -0.00035 -0.00117 -0.01857 -0.01974 3.06973 D31 -0.09075 -0.00045 -0.00158 -0.03444 -0.03603 -0.12678 D32 3.12761 -0.00007 -0.00101 -0.00934 -0.01033 3.11727 D33 -0.01449 -0.00017 -0.00072 -0.01171 -0.01242 -0.02691 D34 -0.01601 -0.00012 -0.00020 -0.00184 -0.00205 -0.01806 D35 3.12508 -0.00022 0.00009 -0.00421 -0.00414 3.12095 D36 1.15766 -0.00034 0.00018 0.00711 0.00728 1.16494 D37 -0.86658 0.00050 0.00041 0.01369 0.01411 -0.85247 D38 -3.12999 -0.00023 -0.00055 -0.00230 -0.00288 -3.13286 D39 -1.94746 -0.00023 0.00056 0.02210 0.02263 -1.92482 D40 2.31149 0.00061 0.00078 0.02867 0.02946 2.34095 D41 0.04808 -0.00012 -0.00018 0.01268 0.01248 0.06056 D42 -3.10586 -0.00007 0.00061 0.00565 0.00626 -3.09960 D43 0.02968 -0.00021 0.00096 0.00226 0.00323 0.03290 D44 -0.00653 -0.00019 0.00017 -0.01169 -0.01152 -0.01805 D45 3.12900 -0.00033 0.00053 -0.01508 -0.01455 3.11445 D46 -1.08087 -0.00003 0.00083 0.00177 0.00261 -1.07826 D47 2.04308 0.00011 0.00037 0.00172 0.00207 2.04515 D48 0.90679 -0.00044 -0.00011 -0.00828 -0.00842 0.89837 D49 -2.25245 -0.00029 -0.00058 -0.00834 -0.00895 -2.26140 D50 -3.13120 0.00019 0.00082 0.00686 0.00769 -3.12351 D51 -0.00725 0.00034 0.00035 0.00680 0.00716 -0.00009 Item Value Threshold Converged? Maximum Force 0.002389 0.000450 NO RMS Force 0.000585 0.000300 NO Maximum Displacement 0.061191 0.001800 NO RMS Displacement 0.015094 0.001200 NO Predicted change in Energy=-1.340006D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.665657 0.133025 -0.216836 2 8 0 1.686893 1.523374 -0.741007 3 8 0 0.681386 -0.848976 -1.203881 4 6 0 -0.493591 -1.982080 0.583046 5 6 0 -0.654261 -1.208988 -0.704202 6 6 0 -1.450321 0.053383 -0.417591 7 6 0 -0.814656 0.850239 0.660343 8 6 0 0.393210 0.143449 1.236844 9 6 0 0.073915 -1.281252 1.573450 10 1 0 -0.803731 -3.019079 0.663074 11 1 0 -1.094072 -1.793560 -1.512623 12 1 0 0.871562 0.708610 2.038139 13 1 0 0.314380 -1.688321 2.551038 14 6 0 -2.573666 0.345745 -1.082340 15 1 0 -3.159591 1.234885 -0.867567 16 1 0 -2.943180 -0.302402 -1.871920 17 6 0 -1.177090 2.072238 1.069362 18 1 0 -0.624333 2.594560 1.844251 19 1 0 -2.028393 2.593432 0.641005 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.486028 0.000000 3 O 1.705102 2.617889 0.000000 4 C 3.126633 4.335417 2.420249 0.000000 5 C 2.724067 3.598356 1.470796 1.510131 0.000000 6 C 3.123454 3.479596 2.444725 2.461650 1.519684 7 C 2.726865 2.945274 2.932712 2.851507 2.475505 8 C 1.931946 2.736733 2.650489 2.394106 2.587265 9 C 2.781896 3.977982 2.875665 1.339448 2.392313 10 H 4.099741 5.367358 3.224971 1.085337 2.273370 11 H 3.606507 4.396727 2.034652 2.188137 1.090276 12 H 2.459023 3.008697 3.601795 3.349739 3.677737 13 H 3.578321 4.799619 3.865050 2.147581 3.429958 14 C 4.331998 4.433473 3.469509 3.538219 2.498859 15 H 4.992050 4.856712 4.382771 4.422748 3.503695 16 H 4.916328 5.103920 3.725923 3.853397 2.724815 17 C 3.673699 3.432359 4.141867 4.140190 3.766341 18 H 3.943513 3.629431 4.780581 4.749039 4.578481 19 H 4.520564 4.105890 4.753596 4.826416 4.261012 6 7 8 9 10 6 C 0.000000 7 C 1.483573 0.000000 8 C 2.478684 1.513554 0.000000 9 C 2.840562 2.483260 1.498342 0.000000 10 H 3.320533 3.869335 3.429791 2.149206 0.000000 11 H 2.176513 3.433588 3.677442 3.339236 2.513931 12 H 3.442539 2.182135 1.091009 2.193565 4.311969 13 H 3.867876 3.360616 2.255816 1.085913 2.566222 14 C 1.337636 2.526969 3.771192 4.087790 4.183441 15 H 2.126035 2.825098 4.271085 4.769179 5.097955 16 H 2.114305 3.503078 4.581997 4.683117 4.287630 17 C 2.522193 1.338632 2.492813 3.614556 5.121130 18 H 3.500823 2.116723 2.722551 3.947507 5.739365 19 H 2.811875 2.124206 3.495940 4.505811 5.744612 11 12 13 14 15 11 H 0.000000 12 H 4.767859 0.000000 13 H 4.302110 2.513722 0.000000 14 C 2.636469 4.662473 5.067511 0.000000 15 H 3.722088 4.997028 5.683350 1.086280 0.000000 16 H 2.402467 5.555445 5.665248 1.086312 1.849002 17 C 4.649509 2.644804 4.308323 3.092090 2.895370 18 H 5.544804 2.414975 4.441149 4.173967 3.953506 19 H 4.975617 3.730184 5.241204 2.884326 2.324016 16 17 18 19 16 H 0.000000 17 C 4.172425 0.000000 18 H 5.251607 1.085732 0.000000 19 H 3.941762 1.086209 1.849104 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.707088 0.088323 -0.278840 2 8 0 1.718991 1.427592 -0.922654 3 8 0 0.705081 -0.974422 -1.158571 4 6 0 -0.437570 -1.945316 0.741249 5 6 0 -0.621367 -1.287234 -0.605465 6 6 0 -1.412012 -0.003343 -0.415870 7 6 0 -0.756930 0.883475 0.576809 8 6 0 0.461075 0.227677 1.191005 9 6 0 0.147775 -1.161684 1.656352 10 1 0 -0.746310 -2.970858 0.917036 11 1 0 -1.075744 -1.939386 -1.351750 12 1 0 0.953857 0.859807 1.931194 13 1 0 0.405800 -1.482293 2.661260 14 6 0 -2.547139 0.231766 -1.083312 15 1 0 -3.129013 1.137230 -0.936470 16 1 0 -2.930897 -0.482192 -1.806545 17 6 0 -1.111815 2.137106 0.884059 18 1 0 -0.545121 2.724132 1.600349 19 1 0 -1.970660 2.620350 0.427210 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3506467 1.1098842 0.9464979 Standard basis: 6-31G(d) (6D, 7F) There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.5350319885 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.12D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999992 -0.001188 -0.003149 0.001975 Ang= -0.45 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.174281031 A.U. after 11 cycles NFock= 11 Conv=0.91D-08 -V/T= 2.0066 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 0.000582609 0.000244546 -0.002465690 2 8 -0.000157081 -0.000773970 0.000559258 3 8 0.001362168 0.000440984 0.000744731 4 6 -0.000011756 -0.000045554 0.000502720 5 6 -0.000512949 0.000293169 0.000345615 6 6 0.000217315 0.000256485 0.000322365 7 6 0.000441025 -0.000487934 -0.000022640 8 6 -0.001587553 -0.000625044 0.001506890 9 6 0.000199886 0.000638225 -0.000815535 10 1 0.000169209 0.000006102 -0.000076645 11 1 -0.000214029 -0.000103727 -0.000163223 12 1 0.000014737 0.000031971 0.000026522 13 1 -0.000052322 -0.000082290 -0.000097963 14 6 -0.000114380 -0.000190952 0.000129493 15 1 -0.000102506 -0.000192928 -0.000080436 16 1 -0.000135275 0.000330963 0.000006177 17 6 -0.000067683 0.000061960 -0.000483477 18 1 -0.000359218 0.000007431 -0.000007103 19 1 0.000327805 0.000190565 0.000068938 ------------------------------------------------------------------- Cartesian Forces: Max 0.002465690 RMS 0.000571157 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001472423 RMS 0.000273889 Search for a local minimum. Step number 4 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 1 2 3 4 DE= -1.71D-04 DEPred=-1.34D-04 R= 1.28D+00 TightC=F SS= 1.41D+00 RLast= 9.42D-02 DXNew= 8.4853D-01 2.8270D-01 Trust test= 1.28D+00 RLast= 9.42D-02 DXMaxT set to 5.05D-01 ITU= 1 1 1 0 Eigenvalues --- 0.00663 0.01113 0.01206 0.01276 0.01766 Eigenvalues --- 0.01947 0.02057 0.02842 0.02945 0.02973 Eigenvalues --- 0.02996 0.04643 0.05297 0.05612 0.07543 Eigenvalues --- 0.08372 0.08677 0.10340 0.11318 0.12997 Eigenvalues --- 0.14727 0.15985 0.15996 0.16000 0.16006 Eigenvalues --- 0.16188 0.16590 0.17707 0.21310 0.22435 Eigenvalues --- 0.24995 0.25498 0.28267 0.28879 0.29826 Eigenvalues --- 0.30820 0.32181 0.32860 0.33294 0.33312 Eigenvalues --- 0.35633 0.35744 0.35873 0.35900 0.35990 Eigenvalues --- 0.36065 0.37393 0.53353 0.58149 0.58648 Eigenvalues --- 0.90927 En-DIIS/RFO-DIIS IScMMF= 0 using points: 4 3 RFO step: Lambda=-2.03241995D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.39478 -0.39478 Iteration 1 RMS(Cart)= 0.01677877 RMS(Int)= 0.00009557 Iteration 2 RMS(Cart)= 0.00014802 RMS(Int)= 0.00001729 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001729 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.80819 -0.00092 0.00236 -0.00026 0.00210 2.81028 R2 3.22218 -0.00110 -0.00102 -0.00359 -0.00461 3.21756 R3 3.65085 0.00147 0.00512 0.01033 0.01545 3.66630 R4 2.77940 0.00073 0.00073 0.00324 0.00397 2.78337 R5 2.85373 0.00000 -0.00231 -0.00017 -0.00248 2.85126 R6 2.53119 -0.00044 0.00128 -0.00089 0.00039 2.53158 R7 2.05099 -0.00006 -0.00021 -0.00001 -0.00022 2.05077 R8 2.87179 -0.00003 0.00021 -0.00034 -0.00013 2.87166 R9 2.06032 0.00026 0.00066 0.00026 0.00092 2.06124 R10 2.80355 -0.00042 -0.00079 -0.00143 -0.00222 2.80133 R11 2.52777 0.00026 0.00042 0.00059 0.00102 2.52878 R12 2.86020 -0.00018 -0.00053 -0.00138 -0.00190 2.85831 R13 2.52965 0.00014 0.00065 0.00026 0.00092 2.53056 R14 2.83146 -0.00073 -0.00313 -0.00191 -0.00505 2.82641 R15 2.06171 0.00004 0.00053 -0.00026 0.00027 2.06198 R16 2.05208 -0.00007 -0.00028 -0.00004 -0.00032 2.05176 R17 2.05277 -0.00012 -0.00050 -0.00022 -0.00072 2.05205 R18 2.05283 -0.00016 -0.00053 -0.00028 -0.00081 2.05202 R19 2.05174 -0.00018 -0.00071 -0.00034 -0.00106 2.05068 R20 2.05264 -0.00019 -0.00042 -0.00046 -0.00088 2.05176 A1 1.92080 0.00015 -0.00025 0.00396 0.00371 1.92451 A2 1.84396 -0.00031 -0.00498 0.00059 -0.00438 1.83958 A3 1.62931 -0.00018 0.00090 -0.00106 -0.00018 1.62913 A4 2.05840 0.00018 -0.00036 0.00058 0.00019 2.05859 A5 1.99051 -0.00013 0.00126 -0.00115 0.00010 1.99062 A6 2.11951 0.00004 0.00036 0.00093 0.00129 2.12080 A7 2.17301 0.00008 -0.00158 0.00014 -0.00144 2.17157 A8 1.89471 -0.00009 -0.00210 -0.00085 -0.00293 1.89179 A9 1.91393 0.00006 0.00143 0.00290 0.00431 1.91825 A10 1.81900 0.00003 -0.00164 0.00091 -0.00073 1.81827 A11 1.89676 0.00005 -0.00099 -0.00071 -0.00171 1.89505 A12 1.98284 -0.00001 0.00185 -0.00056 0.00129 1.98412 A13 1.95402 -0.00004 0.00137 -0.00144 -0.00006 1.95396 A14 1.93774 -0.00010 0.00123 -0.00050 0.00068 1.93841 A15 2.12674 0.00021 -0.00066 0.00063 -0.00002 2.12672 A16 2.21869 -0.00011 -0.00058 -0.00016 -0.00073 2.21796 A17 1.94750 0.00007 0.00022 0.00032 0.00047 1.94797 A18 2.20970 -0.00046 -0.00005 -0.00180 -0.00187 2.20784 A19 2.12465 0.00039 -0.00043 0.00117 0.00071 2.12537 A20 1.81474 -0.00013 -0.00401 -0.00582 -0.00982 1.80492 A21 1.87996 -0.00013 -0.00132 -0.00001 -0.00131 1.87865 A22 1.84071 0.00002 -0.00207 -0.00065 -0.00271 1.83800 A23 1.93856 0.00017 0.00222 0.00347 0.00564 1.94420 A24 1.96898 -0.00001 0.00156 0.00053 0.00202 1.97100 A25 2.00534 0.00004 0.00249 0.00136 0.00381 2.00915 A26 2.00610 0.00019 0.00041 0.00137 0.00176 2.00786 A27 2.16922 -0.00022 -0.00059 -0.00219 -0.00277 2.16644 A28 2.10772 0.00003 0.00018 0.00075 0.00094 2.10866 A29 2.13367 0.00003 -0.00153 -0.00008 -0.00161 2.13206 A30 2.11352 0.00030 -0.00168 0.00165 -0.00003 2.11349 A31 2.03599 -0.00033 0.00321 -0.00157 0.00164 2.03763 A32 2.11694 0.00015 -0.00171 0.00058 -0.00113 2.11580 A33 2.12907 0.00018 -0.00146 0.00089 -0.00057 2.12850 A34 2.03715 -0.00033 0.00316 -0.00146 0.00170 2.03884 D1 -1.81564 0.00043 0.00940 0.00212 0.01152 -1.80413 D2 0.06936 0.00005 0.00434 0.00305 0.00738 0.07674 D3 0.83809 -0.00001 -0.00387 0.00017 -0.00369 0.83439 D4 2.89641 0.00006 -0.00393 0.00126 -0.00266 2.89375 D5 -1.23730 0.00005 -0.00287 0.00250 -0.00039 -1.23769 D6 -1.11508 -0.00005 -0.00302 -0.00376 -0.00677 -1.12186 D7 0.94324 0.00001 -0.00308 -0.00267 -0.00574 0.93749 D8 3.09271 0.00000 -0.00202 -0.00144 -0.00347 3.08924 D9 -1.06040 -0.00005 -0.00347 -0.00385 -0.00732 -1.06772 D10 1.00951 -0.00002 -0.00507 -0.00353 -0.00863 1.00089 D11 3.10409 -0.00001 -0.00367 -0.00327 -0.00695 3.09714 D12 1.10176 0.00010 0.00128 0.00322 0.00450 1.10627 D13 -0.97896 0.00005 0.00134 0.00063 0.00198 -0.97698 D14 3.11655 0.00007 -0.00101 0.00347 0.00246 3.11901 D15 -2.02161 0.00012 -0.00074 0.00767 0.00692 -2.01469 D16 2.18085 0.00007 -0.00068 0.00508 0.00440 2.18524 D17 -0.00683 0.00009 -0.00304 0.00792 0.00488 -0.00195 D18 0.03825 0.00003 0.00084 -0.00180 -0.00097 0.03728 D19 -3.08444 -0.00001 0.00105 0.00218 0.00322 -3.08122 D20 -3.12221 0.00000 0.00297 -0.00640 -0.00343 -3.12564 D21 0.03829 -0.00003 0.00318 -0.00241 0.00076 0.03905 D22 -1.10547 0.00003 0.00333 0.00783 0.01117 -1.09430 D23 2.04148 0.00006 0.00612 0.01314 0.01926 2.06074 D24 0.96318 -0.00002 0.00104 0.00807 0.00911 0.97229 D25 -2.17306 0.00001 0.00383 0.01337 0.01721 -2.15585 D26 -3.11556 -0.00002 0.00367 0.00579 0.00945 -3.10611 D27 0.03138 0.00001 0.00646 0.01109 0.01755 0.04892 D28 -0.06617 -0.00018 -0.00482 -0.01269 -0.01752 -0.08369 D29 3.02051 -0.00017 -0.01125 -0.01897 -0.03022 2.99029 D30 3.06973 -0.00021 -0.00779 -0.01834 -0.02614 3.04359 D31 -0.12678 -0.00020 -0.01422 -0.02462 -0.03884 -0.16562 D32 3.11727 -0.00011 -0.00408 -0.00792 -0.01199 3.10528 D33 -0.02691 -0.00010 -0.00490 -0.00662 -0.01152 -0.03842 D34 -0.01806 -0.00007 -0.00081 -0.00171 -0.00253 -0.02059 D35 3.12095 -0.00006 -0.00163 -0.00041 -0.00205 3.11890 D36 1.16494 0.00008 0.00287 0.00951 0.01236 1.17729 D37 -0.85247 0.00023 0.00557 0.01110 0.01669 -0.83578 D38 -3.13286 0.00003 -0.00114 0.00568 0.00451 -3.12835 D39 -1.92482 0.00010 0.00893 0.01554 0.02446 -1.90037 D40 2.34095 0.00025 0.01163 0.01713 0.02879 2.36974 D41 0.06056 0.00005 0.00493 0.01170 0.01662 0.07718 D42 -3.09960 -0.00018 0.00247 -0.00358 -0.00111 -3.10070 D43 0.03290 -0.00020 0.00127 -0.00289 -0.00161 0.03129 D44 -0.01805 -0.00018 -0.00455 -0.01047 -0.01502 -0.03307 D45 3.11445 -0.00020 -0.00575 -0.00978 -0.01553 3.09892 D46 -1.07826 -0.00001 0.00103 0.00241 0.00344 -1.07482 D47 2.04515 0.00002 0.00082 -0.00145 -0.00064 2.04452 D48 0.89837 -0.00016 -0.00332 -0.00273 -0.00608 0.89229 D49 -2.26140 -0.00013 -0.00353 -0.00659 -0.01016 -2.27156 D50 -3.12351 0.00002 0.00304 0.00242 0.00547 -3.11803 D51 -0.00009 0.00006 0.00283 -0.00144 0.00139 0.00130 Item Value Threshold Converged? Maximum Force 0.001472 0.000450 NO RMS Force 0.000274 0.000300 YES Maximum Displacement 0.070258 0.001800 NO RMS Displacement 0.016775 0.001200 NO Predicted change in Energy=-4.926280D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.665087 0.139347 -0.209167 2 8 0 1.678549 1.535042 -0.722421 3 8 0 0.689823 -0.843911 -1.199681 4 6 0 -0.492681 -1.984499 0.574871 5 6 0 -0.650532 -1.205523 -0.707633 6 6 0 -1.450961 0.052520 -0.414592 7 6 0 -0.815039 0.850110 0.661029 8 6 0 0.383807 0.138479 1.247677 9 6 0 0.067350 -1.286886 1.572055 10 1 0 -0.796310 -3.023787 0.648325 11 1 0 -1.086488 -1.785815 -1.521863 12 1 0 0.861032 0.701420 2.051401 13 1 0 0.306486 -1.701893 2.546438 14 6 0 -2.584102 0.336618 -1.067271 15 1 0 -3.177371 1.217033 -0.839066 16 1 0 -2.952913 -0.309707 -1.858083 17 6 0 -1.163410 2.083069 1.050496 18 1 0 -0.612350 2.604745 1.826246 19 1 0 -1.999856 2.611919 0.603826 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.487137 0.000000 3 O 1.702661 2.620072 0.000000 4 C 3.127523 4.334095 2.418324 0.000000 5 C 2.723827 3.596601 1.472897 1.508820 0.000000 6 C 3.124018 3.476558 2.450083 2.459021 1.519615 7 C 2.722765 2.932754 2.931989 2.854180 2.475061 8 C 1.940122 2.740079 2.654864 2.393310 2.588327 9 C 2.785616 3.977922 2.875104 1.339655 2.391434 10 H 4.098681 5.365333 3.221114 1.085221 2.272874 11 H 3.605632 4.394613 2.036237 2.188236 1.090764 12 H 2.464264 3.009543 3.603733 3.350647 3.678794 13 H 3.581804 4.800599 3.862187 2.146068 3.428009 14 C 4.339454 4.441321 3.482781 3.529626 2.499245 15 H 5.000758 4.867720 4.396899 4.410963 3.502994 16 H 4.924074 5.113049 3.740106 3.844079 2.725249 17 C 3.655845 3.394156 4.130978 4.149844 3.764160 18 H 3.925278 3.590011 4.769184 4.758300 4.576040 19 H 4.495151 4.055768 4.736008 4.837301 4.255992 6 7 8 9 10 6 C 0.000000 7 C 1.482398 0.000000 8 C 2.477277 1.512550 0.000000 9 C 2.836555 2.485021 1.495671 0.000000 10 H 3.319943 3.873963 3.428094 2.148491 0.000000 11 H 2.176779 3.433191 3.678998 3.339551 2.515252 12 H 3.442020 2.182764 1.091154 2.193869 4.311910 13 H 3.864490 3.365309 2.253825 1.085744 2.562499 14 C 1.338175 2.525921 3.769182 4.078236 4.175139 15 H 2.125268 2.822327 4.266119 4.755138 5.085896 16 H 2.114412 3.501658 4.580428 4.673620 4.277762 17 C 2.520376 1.339117 2.492828 3.625381 5.135804 18 H 3.498353 2.116024 2.722046 3.958711 5.753409 19 H 2.808734 2.123920 3.494896 4.517908 5.762958 11 12 13 14 15 11 H 0.000000 12 H 4.769421 0.000000 13 H 4.300988 2.515650 0.000000 14 C 2.637085 4.661346 5.056671 0.000000 15 H 3.722244 4.992931 5.667366 1.085899 0.000000 16 H 2.403224 5.554514 5.653466 1.085882 1.849246 17 C 4.646634 2.647476 4.327167 3.090857 2.894219 18 H 5.541810 2.417477 4.462070 4.171888 3.950819 19 H 4.969191 3.732313 5.263262 2.882865 2.326841 16 17 18 19 16 H 0.000000 17 C 4.169836 0.000000 18 H 5.248481 1.085173 0.000000 19 H 3.937666 1.085743 1.849199 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.707157 0.070134 -0.281643 2 8 0 1.727683 1.417770 -0.910160 3 8 0 0.695448 -0.976947 -1.164321 4 6 0 -0.460496 -1.946898 0.725463 5 6 0 -0.637789 -1.275245 -0.613935 6 6 0 -1.413760 0.015224 -0.409505 7 6 0 -0.741812 0.889713 0.581080 8 6 0 0.460634 0.210835 1.198376 9 6 0 0.132372 -1.177380 1.647973 10 1 0 -0.776544 -2.971559 0.892457 11 1 0 -1.100711 -1.914544 -1.366774 12 1 0 0.964325 0.831323 1.941280 13 1 0 0.388661 -1.513351 2.648112 14 6 0 -2.557946 0.261576 -1.058243 15 1 0 -3.133543 1.167130 -0.891398 16 1 0 -2.954104 -0.442614 -1.783719 17 6 0 -1.063968 2.156161 0.873589 18 1 0 -0.487693 2.732045 1.590433 19 1 0 -1.903361 2.658926 0.402968 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3519433 1.1138843 0.9447722 Standard basis: 6-31G(d) (6D, 7F) There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.6340325332 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.12D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999976 -0.002380 -0.001416 0.006327 Ang= -0.79 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.174349321 A.U. after 12 cycles NFock= 12 Conv=0.34D-08 -V/T= 2.0066 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 0.000483724 0.001607281 -0.001808685 2 8 -0.000018409 -0.001936276 0.000623260 3 8 0.000570329 0.000615415 0.000561418 4 6 -0.000069353 -0.000195890 0.000912712 5 6 -0.000440583 0.000170445 -0.000399337 6 6 -0.000213165 0.000091629 -0.000370387 7 6 0.000407922 -0.000081234 0.000509108 8 6 -0.000799421 0.000137602 0.000622843 9 6 0.000066042 -0.000083842 -0.000525582 10 1 0.000097779 -0.000050980 -0.000174844 11 1 -0.000052303 0.000050366 0.000126849 12 1 -0.000164534 -0.000108023 -0.000008441 13 1 0.000010995 -0.000031590 0.000085125 14 6 0.000717023 -0.000327668 0.000450438 15 1 -0.000289464 -0.000008499 -0.000120216 16 1 -0.000319677 0.000177891 -0.000163744 17 6 0.000120351 -0.000691829 -0.000563413 18 1 -0.000189529 0.000324669 0.000167660 19 1 0.000082275 0.000340536 0.000075236 ------------------------------------------------------------------- Cartesian Forces: Max 0.001936276 RMS 0.000542322 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002032393 RMS 0.000268363 Search for a local minimum. Step number 5 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 1 2 3 4 5 DE= -6.83D-05 DEPred=-4.93D-05 R= 1.39D+00 TightC=F SS= 1.41D+00 RLast= 9.48D-02 DXNew= 8.4853D-01 2.8428D-01 Trust test= 1.39D+00 RLast= 9.48D-02 DXMaxT set to 5.05D-01 ITU= 1 1 1 1 0 Eigenvalues --- 0.00451 0.01092 0.01202 0.01275 0.01764 Eigenvalues --- 0.01983 0.02072 0.02751 0.02946 0.02969 Eigenvalues --- 0.02978 0.04701 0.05291 0.05713 0.07543 Eigenvalues --- 0.08437 0.08484 0.10365 0.11424 0.13190 Eigenvalues --- 0.14916 0.15970 0.15990 0.15996 0.16001 Eigenvalues --- 0.16076 0.16281 0.17627 0.21242 0.22228 Eigenvalues --- 0.24902 0.25002 0.28254 0.28838 0.29808 Eigenvalues --- 0.31187 0.32104 0.32879 0.33216 0.34211 Eigenvalues --- 0.35644 0.35779 0.35891 0.35938 0.36057 Eigenvalues --- 0.36550 0.37886 0.53224 0.58324 0.58958 Eigenvalues --- 0.95529 En-DIIS/RFO-DIIS IScMMF= 0 using points: 5 4 3 RFO step: Lambda=-1.25898496D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.83261 -1.02986 0.19724 Iteration 1 RMS(Cart)= 0.01524363 RMS(Int)= 0.00008333 Iteration 2 RMS(Cart)= 0.00012727 RMS(Int)= 0.00001245 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001245 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.81028 -0.00203 0.00057 -0.00203 -0.00147 2.80882 R2 3.21756 -0.00066 -0.00333 -0.00124 -0.00458 3.21298 R3 3.66630 0.00099 0.01031 0.00391 0.01421 3.68051 R4 2.78337 0.00033 0.00294 0.00015 0.00309 2.78646 R5 2.85126 0.00047 -0.00091 0.00133 0.00043 2.85169 R6 2.53158 -0.00029 -0.00032 0.00055 0.00024 2.53182 R7 2.05077 0.00001 -0.00008 -0.00005 -0.00012 2.05065 R8 2.87166 -0.00019 -0.00021 -0.00090 -0.00111 2.87055 R9 2.06124 -0.00010 0.00044 -0.00047 -0.00003 2.06121 R10 2.80133 0.00009 -0.00145 0.00104 -0.00041 2.80092 R11 2.52878 -0.00021 0.00064 -0.00078 -0.00014 2.52864 R12 2.85831 -0.00025 -0.00132 -0.00100 -0.00232 2.85599 R13 2.53056 -0.00012 0.00044 -0.00020 0.00024 2.53080 R14 2.82641 0.00004 -0.00264 -0.00007 -0.00271 2.82370 R15 2.06198 -0.00013 -0.00004 -0.00025 -0.00029 2.06170 R16 2.05176 0.00009 -0.00012 0.00037 0.00024 2.05200 R17 2.05205 0.00013 -0.00035 0.00050 0.00015 2.05220 R18 2.05202 0.00012 -0.00041 0.00053 0.00012 2.05214 R19 2.05068 0.00018 -0.00052 0.00074 0.00022 2.05090 R20 2.05176 0.00007 -0.00052 0.00044 -0.00008 2.05168 A1 1.92451 -0.00002 0.00322 -0.00213 0.00108 1.92559 A2 1.83958 0.00013 -0.00116 -0.00008 -0.00124 1.83834 A3 1.62913 -0.00024 -0.00060 -0.00074 -0.00136 1.62777 A4 2.05859 0.00033 0.00034 0.00203 0.00236 2.06095 A5 1.99062 -0.00014 -0.00054 0.00036 -0.00019 1.99043 A6 2.12080 -0.00007 0.00090 -0.00131 -0.00042 2.12039 A7 2.17157 0.00021 -0.00041 0.00089 0.00047 2.17204 A8 1.89179 -0.00008 -0.00139 -0.00060 -0.00197 1.88982 A9 1.91825 -0.00006 0.00288 -0.00102 0.00185 1.92009 A10 1.81827 0.00010 0.00021 -0.00014 0.00006 1.81833 A11 1.89505 0.00012 -0.00093 -0.00025 -0.00119 1.89386 A12 1.98412 -0.00004 0.00015 0.00087 0.00102 1.98514 A13 1.95396 -0.00005 -0.00074 0.00101 0.00029 1.95425 A14 1.93841 -0.00011 -0.00005 0.00028 0.00019 1.93860 A15 2.12672 0.00009 0.00031 -0.00035 -0.00004 2.12668 A16 2.21796 0.00002 -0.00032 0.00003 -0.00029 2.21767 A17 1.94797 0.00006 0.00028 0.00054 0.00075 1.94872 A18 2.20784 -0.00032 -0.00153 -0.00112 -0.00266 2.20518 A19 2.12537 0.00025 0.00081 0.00018 0.00098 2.12634 A20 1.80492 -0.00007 -0.00617 -0.00114 -0.00730 1.79762 A21 1.87865 -0.00004 -0.00043 -0.00182 -0.00223 1.87641 A22 1.83800 0.00005 -0.00122 0.00092 -0.00031 1.83769 A23 1.94420 0.00011 0.00358 0.00164 0.00519 1.94939 A24 1.97100 -0.00003 0.00090 0.00028 0.00118 1.97218 A25 2.00915 -0.00004 0.00193 -0.00022 0.00171 2.01086 A26 2.00786 0.00009 0.00126 0.00023 0.00148 2.00934 A27 2.16644 -0.00004 -0.00201 0.00057 -0.00144 2.16500 A28 2.10866 -0.00005 0.00069 -0.00078 -0.00008 2.10857 A29 2.13206 0.00012 -0.00058 0.00041 -0.00017 2.13189 A30 2.11349 0.00033 0.00082 0.00133 0.00215 2.11564 A31 2.03763 -0.00045 -0.00024 -0.00174 -0.00198 2.03565 A32 2.11580 0.00026 -0.00009 0.00139 0.00130 2.11710 A33 2.12850 0.00020 0.00026 0.00059 0.00084 2.12934 A34 2.03884 -0.00047 -0.00017 -0.00198 -0.00215 2.03669 D1 -1.80413 -0.00004 0.00490 -0.00029 0.00460 -1.79952 D2 0.07674 0.00000 0.00398 -0.00107 0.00290 0.07965 D3 0.83439 -0.00009 -0.00114 -0.00163 -0.00276 0.83164 D4 2.89375 -0.00001 -0.00025 -0.00112 -0.00137 2.89238 D5 -1.23769 -0.00005 0.00111 -0.00183 -0.00073 -1.23842 D6 -1.12186 -0.00001 -0.00413 0.00087 -0.00324 -1.12510 D7 0.93749 0.00007 -0.00324 0.00138 -0.00185 0.93564 D8 3.08924 0.00003 -0.00188 0.00066 -0.00121 3.08803 D9 -1.06772 -0.00002 -0.00436 0.00161 -0.00275 -1.07047 D10 1.00089 0.00004 -0.00465 0.00037 -0.00430 0.99658 D11 3.09714 0.00001 -0.00396 0.00097 -0.00300 3.09414 D12 1.10627 -0.00004 0.00311 -0.00231 0.00080 1.10706 D13 -0.97698 0.00000 0.00098 -0.00061 0.00038 -0.97659 D14 3.11901 0.00001 0.00256 -0.00237 0.00019 3.11921 D15 -2.01469 0.00001 0.00613 0.00067 0.00680 -2.00790 D16 2.18524 0.00006 0.00400 0.00238 0.00638 2.19163 D17 -0.00195 0.00006 0.00558 0.00061 0.00619 0.00424 D18 0.03728 0.00001 -0.00123 0.00249 0.00126 0.03853 D19 -3.08122 -0.00002 0.00215 0.00121 0.00335 -3.07788 D20 -3.12564 -0.00005 -0.00434 -0.00062 -0.00496 -3.13060 D21 0.03905 -0.00008 -0.00096 -0.00191 -0.00287 0.03618 D22 -1.09430 0.00003 0.00763 0.00151 0.00913 -1.08517 D23 2.06074 0.00007 0.01298 0.00456 0.01754 2.07828 D24 0.97229 -0.00002 0.00707 0.00005 0.00711 0.97940 D25 -2.15585 0.00002 0.01241 0.00310 0.01552 -2.14033 D26 -3.10611 -0.00002 0.00604 0.00171 0.00774 -3.09837 D27 0.04892 0.00001 0.01138 0.00477 0.01615 0.06508 D28 -0.08369 -0.00003 -0.01218 -0.00175 -0.01394 -0.09762 D29 2.99029 -0.00006 -0.01954 -0.00854 -0.02806 2.96223 D30 3.04359 -0.00007 -0.01787 -0.00501 -0.02289 3.02071 D31 -0.16562 -0.00010 -0.02523 -0.01180 -0.03701 -0.20263 D32 3.10528 -0.00009 -0.00795 -0.00428 -0.01224 3.09304 D33 -0.03842 -0.00006 -0.00714 -0.00326 -0.01040 -0.04883 D34 -0.02059 -0.00004 -0.00170 -0.00071 -0.00241 -0.02299 D35 3.11890 -0.00001 -0.00089 0.00031 -0.00057 3.11832 D36 1.17729 0.00003 0.00885 0.00084 0.00968 1.18697 D37 -0.83578 0.00006 0.01111 0.00284 0.01396 -0.82183 D38 -3.12835 0.00004 0.00433 0.00140 0.00572 -3.12263 D39 -1.90037 0.00008 0.01590 0.00732 0.02323 -1.87714 D40 2.36974 0.00011 0.01816 0.00932 0.02751 2.39725 D41 0.07718 0.00009 0.01138 0.00788 0.01927 0.09645 D42 -3.10070 -0.00007 -0.00216 0.00263 0.00047 -3.10023 D43 0.03129 -0.00009 -0.00198 0.00099 -0.00100 0.03029 D44 -0.03307 -0.00011 -0.01023 -0.00479 -0.01501 -0.04808 D45 3.09892 -0.00013 -0.01006 -0.00643 -0.01648 3.08244 D46 -1.07482 -0.00004 0.00235 -0.00213 0.00022 -1.07460 D47 2.04452 -0.00001 -0.00094 -0.00087 -0.00181 2.04270 D48 0.89229 -0.00009 -0.00340 -0.00366 -0.00708 0.88522 D49 -2.27156 -0.00006 -0.00669 -0.00240 -0.00911 -2.28067 D50 -3.11803 -0.00006 0.00304 -0.00190 0.00114 -3.11690 D51 0.00130 -0.00003 -0.00025 -0.00065 -0.00090 0.00040 Item Value Threshold Converged? Maximum Force 0.002032 0.000450 NO RMS Force 0.000268 0.000300 YES Maximum Displacement 0.064142 0.001800 NO RMS Displacement 0.015242 0.001200 NO Predicted change in Energy=-2.341533D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.665545 0.144801 -0.201482 2 8 0 1.675470 1.542404 -0.707326 3 8 0 0.695747 -0.836216 -1.195415 4 6 0 -0.492342 -1.987015 0.568491 5 6 0 -0.648005 -1.201892 -0.710797 6 6 0 -1.452032 0.051876 -0.412368 7 6 0 -0.815920 0.849605 0.662737 8 6 0 0.375277 0.134420 1.257428 9 6 0 0.062626 -1.292706 1.570964 10 1 0 -0.788519 -3.028932 0.633702 11 1 0 -1.079844 -1.778255 -1.529971 12 1 0 0.849315 0.694561 2.064778 13 1 0 0.301911 -1.713997 2.542754 14 6 0 -2.593319 0.328194 -1.053943 15 1 0 -3.194765 1.199947 -0.813816 16 1 0 -2.963567 -0.315432 -1.846371 17 6 0 -1.151186 2.092071 1.033474 18 1 0 -0.603021 2.616085 1.809863 19 1 0 -1.973252 2.628763 0.569884 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.486361 0.000000 3 O 1.700237 2.618382 0.000000 4 C 3.129533 4.334042 2.418110 0.000000 5 C 2.724976 3.595790 1.474531 1.509048 0.000000 6 C 3.126084 3.477060 2.452514 2.457674 1.519030 7 C 2.720531 2.926442 2.929139 2.856570 2.474556 8 C 1.947644 2.744663 2.657305 2.393300 2.589737 9 C 2.788789 3.978658 2.874383 1.339779 2.391584 10 H 4.097871 5.363461 3.218185 1.085156 2.272773 11 H 3.605578 4.392639 2.037668 2.189128 1.090746 12 H 2.470709 3.014288 3.604958 3.351085 3.679989 13 H 3.584056 4.801440 3.859989 2.145482 3.427854 14 C 4.347212 4.451631 3.491965 3.522298 2.498632 15 H 5.011078 4.883422 4.407682 4.401202 3.502204 16 H 4.934182 5.125392 3.753070 3.838319 2.727117 17 C 3.640186 3.364893 4.117520 4.158032 3.761099 18 H 3.911412 3.560976 4.757823 4.768834 4.575226 19 H 4.472797 4.015546 4.716557 4.847525 4.250922 6 7 8 9 10 6 C 0.000000 7 C 1.482181 0.000000 8 C 2.476709 1.511322 0.000000 9 C 2.834730 2.487210 1.494237 0.000000 10 H 3.320526 3.878742 3.427864 2.148811 0.000000 11 H 2.176452 3.432677 3.680393 3.340179 2.516057 12 H 3.441728 2.182376 1.091002 2.193618 4.312178 13 H 3.863595 3.369876 2.252574 1.085873 2.561752 14 C 1.338098 2.525472 3.767299 4.070810 4.168422 15 H 2.125170 2.821676 4.262698 4.744585 5.076292 16 H 2.115660 3.502187 4.580808 4.668092 4.271379 17 C 2.518603 1.339243 2.492517 3.635787 5.149371 18 H 3.497756 2.116997 2.724135 3.972254 5.769227 19 H 2.806570 2.124487 3.494288 4.530438 5.780759 11 12 13 14 15 11 H 0.000000 12 H 4.770608 0.000000 13 H 4.301217 2.515803 0.000000 14 C 2.637108 4.659654 5.048676 0.000000 15 H 3.722292 4.989619 5.655473 1.085980 0.000000 16 H 2.405904 5.554749 5.646570 1.085946 1.848241 17 C 4.642819 2.649269 4.344603 3.090036 2.895614 18 H 5.540043 2.422088 4.483931 4.170986 3.950478 19 H 4.962799 3.733996 5.284708 2.883386 2.334145 16 17 18 19 16 H 0.000000 17 C 4.168248 0.000000 18 H 5.247286 1.085291 0.000000 19 H 3.935389 1.085700 1.848038 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.707836 0.051887 -0.283250 2 8 0 1.741393 1.404212 -0.899172 3 8 0 0.683909 -0.975769 -1.169987 4 6 0 -0.484489 -1.948089 0.710624 5 6 0 -0.654993 -1.262367 -0.622770 6 6 0 -1.415844 0.034136 -0.404511 7 6 0 -0.728025 0.895372 0.586467 8 6 0 0.459685 0.194799 1.205043 9 6 0 0.117376 -1.193265 1.639606 10 1 0 -0.806912 -2.972440 0.866548 11 1 0 -1.125416 -1.888784 -1.381738 12 1 0 0.971498 0.802877 1.952421 13 1 0 0.372602 -1.543225 2.635351 14 6 0 -2.566946 0.292234 -1.036063 15 1 0 -3.137413 1.197527 -0.850685 16 1 0 -2.976894 -0.400897 -1.764616 17 6 0 -1.018733 2.172572 0.865433 18 1 0 -0.434711 2.740027 1.582908 19 1 0 -1.838729 2.694821 0.382103 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3537633 1.1162530 0.9429897 Standard basis: 6-31G(d) (6D, 7F) There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.6927321092 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.15D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999976 -0.002505 -0.001160 0.006417 Ang= -0.80 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.174383972 A.U. after 12 cycles NFock= 12 Conv=0.36D-08 -V/T= 2.0066 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 0.000154193 0.001218973 -0.000663476 2 8 0.000111720 -0.001286960 0.000274595 3 8 0.000004597 0.000316447 0.000121876 4 6 0.000082443 -0.000087779 0.000519408 5 6 0.000006866 0.000137720 -0.000243368 6 6 -0.000288707 -0.000099378 -0.000261238 7 6 0.000350243 0.000019631 0.000323465 8 6 -0.000323618 0.000340157 0.000084524 9 6 -0.000130812 -0.000381969 -0.000232537 10 1 -0.000006945 -0.000044768 -0.000099241 11 1 0.000031431 0.000015910 0.000163628 12 1 -0.000108114 -0.000092110 0.000004750 13 1 0.000018166 0.000013934 0.000040302 14 6 0.000394432 -0.000091781 0.000281307 15 1 -0.000144007 0.000060934 -0.000080702 16 1 -0.000151127 0.000033349 -0.000091452 17 6 0.000100799 -0.000389130 -0.000283296 18 1 -0.000051598 0.000170641 0.000100114 19 1 -0.000049964 0.000146179 0.000041342 ------------------------------------------------------------------- Cartesian Forces: Max 0.001286960 RMS 0.000315764 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001302985 RMS 0.000162580 Search for a local minimum. Step number 6 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 1 2 3 4 5 6 DE= -3.47D-05 DEPred=-2.34D-05 R= 1.48D+00 TightC=F SS= 1.41D+00 RLast= 8.61D-02 DXNew= 8.4853D-01 2.5839D-01 Trust test= 1.48D+00 RLast= 8.61D-02 DXMaxT set to 5.05D-01 ITU= 1 1 1 1 1 0 Eigenvalues --- 0.00376 0.01160 0.01211 0.01269 0.01763 Eigenvalues --- 0.01991 0.02046 0.02765 0.02953 0.02962 Eigenvalues --- 0.02981 0.04616 0.05282 0.05780 0.07536 Eigenvalues --- 0.08319 0.08503 0.10332 0.11478 0.13260 Eigenvalues --- 0.14487 0.15216 0.15987 0.15995 0.16000 Eigenvalues --- 0.16035 0.16190 0.17687 0.20805 0.21937 Eigenvalues --- 0.24711 0.25035 0.28251 0.28731 0.29804 Eigenvalues --- 0.31202 0.31707 0.32861 0.33243 0.34723 Eigenvalues --- 0.35647 0.35780 0.35891 0.35949 0.36053 Eigenvalues --- 0.36958 0.38438 0.52735 0.58296 0.58913 Eigenvalues --- 0.84728 En-DIIS/RFO-DIIS IScMMF= 0 using points: 6 5 4 3 RFO step: Lambda=-4.40916788D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.50581 -0.58346 -0.05348 0.13113 Iteration 1 RMS(Cart)= 0.00662197 RMS(Int)= 0.00001399 Iteration 2 RMS(Cart)= 0.00001972 RMS(Int)= 0.00000683 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000683 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.80882 -0.00130 -0.00169 -0.00057 -0.00226 2.80655 R2 3.21298 -0.00019 -0.00162 -0.00008 -0.00170 3.21128 R3 3.68051 0.00039 0.00429 0.00128 0.00557 3.68608 R4 2.78646 0.00001 0.00101 -0.00030 0.00071 2.78717 R5 2.85169 0.00027 0.00118 -0.00029 0.00089 2.85258 R6 2.53182 -0.00024 -0.00034 -0.00006 -0.00039 2.53142 R7 2.05065 0.00004 0.00003 0.00002 0.00005 2.05070 R8 2.87055 -0.00007 -0.00062 0.00001 -0.00060 2.86995 R9 2.06121 -0.00014 -0.00031 -0.00009 -0.00040 2.06081 R10 2.80092 0.00011 0.00023 0.00004 0.00027 2.80119 R11 2.52864 -0.00014 -0.00029 -0.00006 -0.00035 2.52828 R12 2.85599 -0.00023 -0.00085 -0.00068 -0.00154 2.85444 R13 2.53080 -0.00011 -0.00017 0.00002 -0.00015 2.53066 R14 2.82370 0.00030 0.00006 0.00028 0.00034 2.82404 R15 2.06170 -0.00009 -0.00034 0.00008 -0.00026 2.06144 R16 2.05200 0.00003 0.00024 -0.00012 0.00012 2.05213 R17 2.05220 0.00011 0.00030 0.00008 0.00037 2.05258 R18 2.05214 0.00010 0.00030 0.00001 0.00031 2.05245 R19 2.05090 0.00013 0.00043 -0.00002 0.00041 2.05131 R20 2.05168 0.00009 0.00017 0.00009 0.00026 2.05194 A1 1.92559 -0.00004 0.00034 -0.00099 -0.00065 1.92493 A2 1.83834 0.00030 0.00136 0.00054 0.00190 1.84024 A3 1.62777 -0.00015 -0.00097 -0.00007 -0.00103 1.62674 A4 2.06095 0.00017 0.00130 0.00032 0.00163 2.06258 A5 1.99043 -0.00006 -0.00052 0.00008 -0.00045 1.98998 A6 2.12039 -0.00006 -0.00043 -0.00035 -0.00079 2.11960 A7 2.17204 0.00013 0.00087 0.00034 0.00121 2.17325 A8 1.88982 -0.00001 -0.00007 0.00004 -0.00004 1.88978 A9 1.92009 -0.00002 0.00012 0.00016 0.00030 1.92039 A10 1.81833 0.00004 0.00063 -0.00042 0.00021 1.81853 A11 1.89386 0.00008 -0.00014 -0.00012 -0.00026 1.89360 A12 1.98514 -0.00008 -0.00020 -0.00039 -0.00058 1.98456 A13 1.95425 -0.00001 -0.00030 0.00072 0.00041 1.95466 A14 1.93860 -0.00010 -0.00037 -0.00018 -0.00055 1.93805 A15 2.12668 0.00012 0.00020 0.00059 0.00079 2.12747 A16 2.21767 -0.00003 0.00010 -0.00036 -0.00026 2.21741 A17 1.94872 0.00004 0.00027 0.00017 0.00044 1.94916 A18 2.20518 -0.00017 -0.00119 -0.00049 -0.00166 2.20352 A19 2.12634 0.00012 0.00058 0.00034 0.00093 2.12728 A20 1.79762 0.00000 -0.00160 -0.00012 -0.00173 1.79589 A21 1.87641 -0.00002 -0.00059 -0.00122 -0.00181 1.87461 A22 1.83769 0.00003 0.00074 0.00018 0.00091 1.83860 A23 1.94939 0.00004 0.00145 0.00072 0.00218 1.95157 A24 1.97218 -0.00002 -0.00008 0.00035 0.00031 1.97249 A25 2.01086 -0.00003 -0.00026 -0.00008 -0.00032 2.01054 A26 2.00934 0.00002 0.00048 0.00011 0.00059 2.00993 A27 2.16500 0.00002 -0.00032 0.00026 -0.00006 2.16494 A28 2.10857 -0.00004 -0.00018 -0.00039 -0.00057 2.10801 A29 2.13189 0.00008 0.00055 0.00006 0.00060 2.13250 A30 2.11564 0.00011 0.00165 -0.00028 0.00137 2.11701 A31 2.03565 -0.00020 -0.00219 0.00022 -0.00197 2.03368 A32 2.11710 0.00012 0.00131 0.00001 0.00132 2.11842 A33 2.12934 0.00007 0.00096 -0.00025 0.00071 2.13005 A34 2.03669 -0.00020 -0.00227 0.00025 -0.00202 2.03467 D1 -1.79952 -0.00028 -0.00169 -0.00394 -0.00562 -1.80515 D2 0.07965 -0.00002 -0.00055 -0.00356 -0.00410 0.07554 D3 0.83164 -0.00005 0.00018 0.00108 0.00126 0.83290 D4 2.89238 -0.00001 0.00082 0.00131 0.00213 2.89450 D5 -1.23842 -0.00004 0.00062 0.00067 0.00129 -1.23713 D6 -1.12510 0.00000 -0.00011 0.00206 0.00195 -1.12315 D7 0.93564 0.00003 0.00053 0.00229 0.00282 0.93846 D8 3.08803 0.00000 0.00033 0.00164 0.00198 3.09001 D9 -1.07047 -0.00004 0.00033 0.00258 0.00290 -1.06757 D10 0.99658 0.00004 0.00018 0.00255 0.00273 0.99932 D11 3.09414 0.00004 0.00024 0.00323 0.00348 3.09762 D12 1.10706 0.00001 -0.00037 0.00145 0.00108 1.10814 D13 -0.97659 -0.00001 -0.00041 0.00130 0.00089 -0.97570 D14 3.11921 0.00000 0.00024 0.00073 0.00098 3.12018 D15 -2.00790 0.00001 0.00315 -0.00126 0.00189 -2.00601 D16 2.19163 -0.00001 0.00311 -0.00141 0.00170 2.19333 D17 0.00424 0.00000 0.00376 -0.00198 0.00178 0.00603 D18 0.03853 -0.00002 0.00043 -0.00204 -0.00160 0.03693 D19 -3.07788 -0.00002 0.00109 -0.00104 0.00005 -3.07782 D20 -3.13060 -0.00003 -0.00323 0.00076 -0.00247 -3.13307 D21 0.03618 -0.00003 -0.00257 0.00175 -0.00082 0.03536 D22 -1.08517 0.00001 0.00264 0.00232 0.00496 -1.08020 D23 2.07828 0.00001 0.00534 0.00042 0.00576 2.08405 D24 0.97940 0.00003 0.00254 0.00239 0.00493 0.98434 D25 -2.14033 0.00003 0.00524 0.00050 0.00573 -2.13460 D26 -3.09837 -0.00002 0.00196 0.00232 0.00428 -3.09409 D27 0.06508 -0.00002 0.00466 0.00042 0.00508 0.07016 D28 -0.09762 -0.00001 -0.00409 -0.00413 -0.00821 -0.10584 D29 2.96223 0.00000 -0.00811 -0.00390 -0.01199 2.95023 D30 3.02071 -0.00001 -0.00696 -0.00209 -0.00905 3.01165 D31 -0.20263 0.00000 -0.01098 -0.00186 -0.01283 -0.21546 D32 3.09304 0.00001 -0.00390 0.00240 -0.00151 3.09153 D33 -0.04883 0.00000 -0.00274 0.00063 -0.00212 -0.05095 D34 -0.02299 0.00001 -0.00075 0.00017 -0.00057 -0.02356 D35 3.11832 0.00000 0.00041 -0.00160 -0.00118 3.11714 D36 1.18697 0.00003 0.00298 0.00222 0.00521 1.19218 D37 -0.82183 0.00003 0.00392 0.00338 0.00730 -0.81453 D38 -3.12263 0.00006 0.00292 0.00251 0.00544 -3.11718 D39 -1.87714 0.00003 0.00688 0.00204 0.00893 -1.86820 D40 2.39725 0.00003 0.00782 0.00321 0.01102 2.40827 D41 0.09645 0.00006 0.00682 0.00234 0.00917 0.10562 D42 -3.10023 -0.00004 -0.00050 -0.00066 -0.00116 -3.10139 D43 0.03029 0.00000 -0.00080 0.00099 0.00019 0.03047 D44 -0.04808 -0.00003 -0.00492 -0.00042 -0.00533 -0.05342 D45 3.08244 0.00001 -0.00522 0.00123 -0.00399 3.07845 D46 -1.07460 -0.00002 -0.00050 0.00068 0.00019 -1.07441 D47 2.04270 -0.00002 -0.00114 -0.00027 -0.00140 2.04130 D48 0.88522 -0.00001 -0.00200 0.00022 -0.00178 0.88344 D49 -2.28067 0.00000 -0.00265 -0.00073 -0.00337 -2.28404 D50 -3.11690 -0.00003 -0.00086 0.00134 0.00048 -3.11642 D51 0.00040 -0.00002 -0.00150 0.00039 -0.00111 -0.00071 Item Value Threshold Converged? Maximum Force 0.001303 0.000450 NO RMS Force 0.000163 0.000300 YES Maximum Displacement 0.025114 0.001800 NO RMS Displacement 0.006623 0.001200 NO Predicted change in Energy=-5.527923D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.667039 0.145739 -0.197290 2 8 0 1.681751 1.542756 -0.701112 3 8 0 0.696959 -0.830147 -1.194458 4 6 0 -0.490980 -1.988534 0.565475 5 6 0 -0.646932 -1.199833 -0.712132 6 6 0 -1.453737 0.051037 -0.410679 7 6 0 -0.816100 0.849768 0.662974 8 6 0 0.371622 0.133292 1.260977 9 6 0 0.060428 -1.295252 1.570343 10 1 0 -0.783873 -3.031682 0.626126 11 1 0 -1.076723 -1.775118 -1.532861 12 1 0 0.843193 0.691734 2.070762 13 1 0 0.299622 -1.718406 2.541420 14 6 0 -2.598269 0.324508 -1.047284 15 1 0 -3.202308 1.193764 -0.803742 16 1 0 -2.970315 -0.317917 -1.840066 17 6 0 -1.146634 2.095795 1.025641 18 1 0 -0.600187 2.622244 1.801899 19 1 0 -1.964435 2.634537 0.556594 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.485164 0.000000 3 O 1.699339 2.616080 0.000000 4 C 3.129533 4.335322 2.418765 0.000000 5 C 2.725819 3.597872 1.474907 1.509520 0.000000 6 C 3.129496 3.484374 2.452812 2.457565 1.518712 7 C 2.720604 2.929201 2.926006 2.858526 2.473944 8 C 1.950590 2.748239 2.657672 2.393732 2.589949 9 C 2.789656 3.980262 2.875000 1.339572 2.391476 10 H 4.096460 5.363427 3.217786 1.085183 2.272742 11 H 3.605783 4.394232 2.037998 2.188985 1.090536 12 H 2.474043 3.018394 3.605436 3.351081 3.680081 13 H 3.584047 4.802028 3.860527 2.145316 3.427898 14 C 4.352849 4.463466 3.494769 3.520202 2.498731 15 H 5.017637 4.897588 4.410574 4.399213 3.502520 16 H 4.941533 5.138195 3.758735 3.837277 2.729125 17 C 3.635249 3.359656 4.109600 4.162137 3.759085 18 H 3.907704 3.554940 4.751815 4.774930 4.575021 19 H 4.466548 4.008550 4.706722 4.852209 4.248279 6 7 8 9 10 6 C 0.000000 7 C 1.482323 0.000000 8 C 2.476517 1.510506 0.000000 9 C 2.833662 2.488520 1.494419 0.000000 10 H 3.320668 3.881759 3.428596 2.149321 0.000000 11 H 2.176299 3.432149 3.680390 3.339650 2.515142 12 H 3.441500 2.181764 1.090865 2.193457 4.312556 13 H 3.862652 3.371782 2.252444 1.085938 2.562617 14 C 1.337911 2.525273 3.766283 4.067464 4.166094 15 H 2.125518 2.821981 4.261531 4.740984 5.074224 16 H 2.116432 3.502762 4.581333 4.665993 4.269327 17 C 2.517611 1.339165 2.492369 3.640453 5.155796 18 H 3.497879 2.117886 2.726149 3.979549 5.777808 19 H 2.805512 2.124944 3.494215 4.535526 5.788315 11 12 13 14 15 11 H 0.000000 12 H 4.770486 0.000000 13 H 4.300850 2.515107 0.000000 14 C 2.638052 4.658403 5.044805 0.000000 15 H 3.723438 4.988074 5.651049 1.086178 0.000000 16 H 2.409046 5.554891 5.643694 1.086109 1.847422 17 C 4.640559 2.650108 4.351709 3.088967 2.895876 18 H 5.539360 2.425387 4.494195 4.170104 3.949805 19 H 4.959729 3.734964 5.292787 2.882777 2.336380 16 17 18 19 16 H 0.000000 17 C 4.167025 0.000000 18 H 5.246520 1.085509 0.000000 19 H 3.933543 1.085839 1.847189 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.708889 0.042950 -0.282071 2 8 0 1.754581 1.395377 -0.894090 3 8 0 0.677822 -0.972478 -1.172890 4 6 0 -0.494553 -1.948594 0.704117 5 6 0 -0.662517 -1.256191 -0.626678 6 6 0 -1.418294 0.041877 -0.402389 7 6 0 -0.722894 0.898413 0.587585 8 6 0 0.457900 0.189046 1.207386 9 6 0 0.109172 -1.199418 1.636159 10 1 0 -0.819726 -2.972960 0.854318 11 1 0 -1.135357 -1.877819 -1.387776 12 1 0 0.971595 0.791574 1.957762 13 1 0 0.363186 -1.554262 2.630555 14 6 0 -2.571694 0.305336 -1.027099 15 1 0 -3.139212 1.211554 -0.836117 16 1 0 -2.988224 -0.383057 -1.756654 17 6 0 -1.001202 2.179637 0.860299 18 1 0 -0.414760 2.745058 1.577734 19 1 0 -1.814447 2.708883 0.372880 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3555293 1.1157891 0.9414468 Standard basis: 6-31G(d) (6D, 7F) There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.6463306393 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.17D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999995 -0.000958 -0.000137 0.002930 Ang= -0.35 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.174392244 A.U. after 10 cycles NFock= 10 Conv=0.90D-08 -V/T= 2.0066 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 0.000103773 0.000192406 0.000104858 2 8 0.000016313 -0.000194951 -0.000016164 3 8 -0.000271766 0.000079822 -0.000130466 4 6 -0.000028778 0.000042450 0.000073576 5 6 0.000193616 -0.000037942 -0.000009170 6 6 -0.000017678 -0.000012335 -0.000185731 7 6 0.000088096 -0.000099527 0.000153812 8 6 -0.000149246 0.000163134 -0.000016684 9 6 0.000028181 -0.000146780 -0.000015318 10 1 -0.000026195 -0.000003131 0.000000488 11 1 0.000015283 -0.000020319 0.000024199 12 1 0.000004033 -0.000028980 -0.000001897 13 1 0.000024345 0.000017715 0.000004340 14 6 -0.000005881 0.000053680 -0.000005820 15 1 0.000002543 -0.000007906 0.000022993 16 1 0.000008841 -0.000032617 0.000005687 17 6 -0.000008709 0.000061662 0.000011518 18 1 0.000024723 -0.000010573 0.000000748 19 1 -0.000001493 -0.000015811 -0.000020970 ------------------------------------------------------------------- Cartesian Forces: Max 0.000271766 RMS 0.000084137 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000178032 RMS 0.000037376 Search for a local minimum. Step number 7 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 1 2 3 4 5 6 7 DE= -8.27D-06 DEPred=-5.53D-06 R= 1.50D+00 TightC=F SS= 1.41D+00 RLast= 3.59D-02 DXNew= 8.4853D-01 1.0781D-01 Trust test= 1.50D+00 RLast= 3.59D-02 DXMaxT set to 5.05D-01 ITU= 1 1 1 1 1 1 0 Eigenvalues --- 0.00350 0.01119 0.01179 0.01274 0.01768 Eigenvalues --- 0.01993 0.02054 0.02765 0.02955 0.02974 Eigenvalues --- 0.03008 0.04576 0.05280 0.05556 0.07519 Eigenvalues --- 0.08172 0.08527 0.10322 0.11468 0.12947 Eigenvalues --- 0.14711 0.15424 0.15986 0.15995 0.16001 Eigenvalues --- 0.16040 0.16260 0.17522 0.20788 0.21736 Eigenvalues --- 0.24840 0.25017 0.28232 0.28660 0.29892 Eigenvalues --- 0.30804 0.31482 0.32933 0.33288 0.34197 Eigenvalues --- 0.35651 0.35767 0.35890 0.35945 0.36052 Eigenvalues --- 0.36342 0.37777 0.52755 0.58220 0.58725 Eigenvalues --- 0.80411 En-DIIS/RFO-DIIS IScMMF= 0 using points: 7 6 5 4 3 RFO step: Lambda=-3.83432719D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.10777 0.00310 -0.24864 0.16389 -0.02612 Iteration 1 RMS(Cart)= 0.00140282 RMS(Int)= 0.00000246 Iteration 2 RMS(Cart)= 0.00000115 RMS(Int)= 0.00000230 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000230 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.80655 -0.00018 -0.00054 -0.00001 -0.00055 2.80600 R2 3.21128 0.00010 -0.00012 0.00023 0.00011 3.21140 R3 3.68608 0.00003 0.00039 0.00052 0.00091 3.68699 R4 2.78717 -0.00014 -0.00008 -0.00024 -0.00032 2.78685 R5 2.85258 0.00005 0.00033 -0.00003 0.00030 2.85288 R6 2.53142 -0.00002 0.00002 -0.00018 -0.00016 2.53126 R7 2.05070 0.00001 0.00001 0.00002 0.00003 2.05072 R8 2.86995 -0.00001 -0.00016 -0.00003 -0.00019 2.86976 R9 2.06081 -0.00001 -0.00013 0.00008 -0.00005 2.06077 R10 2.80119 0.00008 0.00024 0.00007 0.00031 2.80149 R11 2.52828 -0.00001 -0.00017 0.00011 -0.00006 2.52823 R12 2.85444 -0.00011 -0.00020 -0.00029 -0.00048 2.85396 R13 2.53066 0.00003 -0.00007 0.00011 0.00004 2.53069 R14 2.82404 0.00008 0.00022 -0.00007 0.00015 2.82420 R15 2.06144 -0.00001 -0.00006 0.00001 -0.00005 2.06138 R16 2.05213 0.00000 0.00007 -0.00006 0.00000 2.05213 R17 2.05258 0.00000 0.00012 -0.00010 0.00002 2.05260 R18 2.05245 0.00001 0.00012 -0.00007 0.00005 2.05250 R19 2.05131 0.00001 0.00017 -0.00012 0.00004 2.05136 R20 2.05194 0.00000 0.00011 -0.00009 0.00002 2.05196 A1 1.92493 -0.00005 -0.00048 -0.00024 -0.00071 1.92422 A2 1.84024 0.00008 0.00034 0.00040 0.00074 1.84098 A3 1.62674 -0.00002 -0.00018 0.00006 -0.00012 1.62662 A4 2.06258 0.00001 0.00039 -0.00017 0.00021 2.06279 A5 1.98998 0.00001 0.00000 0.00009 0.00009 1.99007 A6 2.11960 -0.00001 -0.00029 0.00004 -0.00025 2.11935 A7 2.17325 0.00000 0.00028 -0.00012 0.00016 2.17341 A8 1.88978 0.00004 0.00004 0.00076 0.00080 1.89058 A9 1.92039 -0.00003 -0.00026 -0.00039 -0.00065 1.91974 A10 1.81853 -0.00001 0.00002 -0.00002 0.00001 1.81854 A11 1.89360 0.00000 0.00001 0.00002 0.00003 1.89363 A12 1.98456 -0.00001 0.00000 -0.00034 -0.00034 1.98422 A13 1.95466 0.00000 0.00018 -0.00001 0.00016 1.95482 A14 1.93805 -0.00002 -0.00005 -0.00026 -0.00030 1.93775 A15 2.12747 0.00002 0.00004 0.00027 0.00030 2.12777 A16 2.21741 0.00000 0.00000 -0.00002 -0.00002 2.21739 A17 1.94916 0.00002 0.00008 0.00017 0.00026 1.94942 A18 2.20352 -0.00001 -0.00022 -0.00019 -0.00041 2.20311 A19 2.12728 -0.00001 0.00008 -0.00006 0.00002 2.12730 A20 1.79589 -0.00001 0.00009 0.00000 0.00009 1.79598 A21 1.87461 -0.00001 -0.00035 -0.00050 -0.00085 1.87375 A22 1.83860 0.00000 0.00030 -0.00020 0.00011 1.83871 A23 1.95157 0.00002 0.00018 0.00036 0.00054 1.95211 A24 1.97249 0.00001 -0.00001 0.00027 0.00026 1.97276 A25 2.01054 -0.00001 -0.00021 -0.00003 -0.00024 2.01030 A26 2.00993 -0.00001 0.00001 -0.00009 -0.00008 2.00985 A27 2.16494 0.00003 0.00018 0.00009 0.00027 2.16520 A28 2.10801 -0.00002 -0.00019 0.00000 -0.00019 2.10782 A29 2.13250 0.00000 0.00017 -0.00009 0.00008 2.13258 A30 2.11701 -0.00003 0.00028 -0.00025 0.00003 2.11703 A31 2.03368 0.00003 -0.00045 0.00034 -0.00011 2.03357 A32 2.11842 -0.00001 0.00033 -0.00022 0.00010 2.11853 A33 2.13005 -0.00002 0.00015 -0.00017 -0.00002 2.13003 A34 2.03467 0.00003 -0.00048 0.00039 -0.00009 2.03458 D1 -1.80515 -0.00011 -0.00106 -0.00223 -0.00329 -1.80843 D2 0.07554 -0.00004 -0.00085 -0.00181 -0.00266 0.07288 D3 0.83290 -0.00003 0.00008 0.00089 0.00097 0.83387 D4 2.89450 -0.00002 0.00018 0.00109 0.00127 2.89577 D5 -1.23713 -0.00004 -0.00008 0.00067 0.00060 -1.23654 D6 -1.12315 0.00001 0.00058 0.00106 0.00164 -1.12151 D7 0.93846 0.00002 0.00069 0.00125 0.00193 0.94039 D8 3.09001 0.00001 0.00042 0.00083 0.00126 3.09126 D9 -1.06757 0.00004 0.00079 0.00165 0.00244 -1.06513 D10 0.99932 0.00005 0.00067 0.00190 0.00257 1.00189 D11 3.09762 0.00004 0.00076 0.00168 0.00244 3.10006 D12 1.10814 -0.00002 -0.00033 -0.00031 -0.00064 1.10751 D13 -0.97570 -0.00001 -0.00005 -0.00028 -0.00032 -0.97603 D14 3.12018 -0.00001 -0.00028 -0.00003 -0.00031 3.11987 D15 -2.00601 -0.00001 -0.00005 -0.00052 -0.00057 -2.00658 D16 2.19333 0.00000 0.00024 -0.00049 -0.00025 2.19307 D17 0.00603 0.00000 0.00001 -0.00025 -0.00024 0.00579 D18 0.03693 0.00003 0.00016 0.00037 0.00052 0.03746 D19 -3.07782 0.00002 0.00000 0.00034 0.00035 -3.07747 D20 -3.13307 0.00002 -0.00015 0.00059 0.00044 -3.13263 D21 0.03536 0.00001 -0.00030 0.00057 0.00027 0.03563 D22 -1.08020 -0.00005 0.00023 -0.00041 -0.00018 -1.08039 D23 2.08405 -0.00003 0.00032 0.00014 0.00045 2.08450 D24 0.98434 -0.00001 0.00013 0.00029 0.00042 0.98476 D25 -2.13460 0.00001 0.00022 0.00084 0.00106 -2.13354 D26 -3.09409 -0.00002 0.00026 -0.00014 0.00012 -3.09398 D27 0.07016 0.00000 0.00035 0.00040 0.00075 0.07091 D28 -0.10584 0.00001 -0.00034 -0.00056 -0.00089 -0.10673 D29 2.95023 -0.00001 -0.00098 -0.00155 -0.00254 2.94769 D30 3.01165 -0.00001 -0.00043 -0.00113 -0.00156 3.01009 D31 -0.21546 -0.00003 -0.00108 -0.00213 -0.00321 -0.21867 D32 3.09153 -0.00003 -0.00014 -0.00086 -0.00100 3.09053 D33 -0.05095 0.00000 -0.00012 0.00003 -0.00008 -0.05103 D34 -0.02356 0.00000 -0.00003 -0.00022 -0.00026 -0.02382 D35 3.11714 0.00003 -0.00002 0.00068 0.00066 3.11780 D36 1.19218 -0.00001 0.00012 0.00019 0.00032 1.19249 D37 -0.81453 0.00000 0.00040 0.00062 0.00102 -0.81351 D38 -3.11718 -0.00001 0.00052 0.00008 0.00061 -3.11658 D39 -1.86820 0.00001 0.00076 0.00115 0.00191 -1.86629 D40 2.40827 0.00002 0.00104 0.00157 0.00261 2.41089 D41 0.10562 0.00001 0.00116 0.00104 0.00220 0.10782 D42 -3.10139 0.00002 0.00024 0.00049 0.00074 -3.10065 D43 0.03047 0.00000 0.00022 0.00007 0.00029 0.03076 D44 -0.05342 0.00000 -0.00047 -0.00059 -0.00106 -0.05448 D45 3.07845 -0.00001 -0.00050 -0.00101 -0.00151 3.07694 D46 -1.07441 -0.00001 -0.00036 -0.00047 -0.00083 -1.07524 D47 2.04130 0.00000 -0.00021 -0.00044 -0.00065 2.04065 D48 0.88344 -0.00002 -0.00036 -0.00057 -0.00092 0.88251 D49 -2.28404 -0.00001 -0.00021 -0.00054 -0.00075 -2.28478 D50 -3.11642 0.00000 -0.00038 0.00014 -0.00023 -3.11665 D51 -0.00071 0.00001 -0.00022 0.00017 -0.00006 -0.00077 Item Value Threshold Converged? Maximum Force 0.000178 0.000450 YES RMS Force 0.000037 0.000300 YES Maximum Displacement 0.005244 0.001800 NO RMS Displacement 0.001403 0.001200 NO Predicted change in Energy=-7.926554D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.667328 0.145663 -0.196131 2 8 0 1.684142 1.542466 -0.699626 3 8 0 0.696431 -0.827920 -1.194855 4 6 0 -0.490730 -1.988642 0.565008 5 6 0 -0.646750 -1.199340 -0.712408 6 6 0 -1.454167 0.050942 -0.410643 7 6 0 -0.816487 0.849583 0.663276 8 6 0 0.370730 0.133183 1.261728 9 6 0 0.060414 -1.295825 1.570227 10 1 0 -0.783442 -3.031898 0.624913 11 1 0 -1.076085 -1.774732 -1.533268 12 1 0 0.841892 0.691206 2.072003 13 1 0 0.299961 -1.719256 2.541098 14 6 0 -2.599278 0.323895 -1.046362 15 1 0 -3.204064 1.192352 -0.801778 16 1 0 -2.971617 -0.318636 -1.838960 17 6 0 -1.145968 2.096391 1.024287 18 1 0 -0.599504 2.623293 1.800259 19 1 0 -1.962685 2.635558 0.553819 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.484873 0.000000 3 O 1.699398 2.615255 0.000000 4 C 3.129187 4.335678 2.419452 0.000000 5 C 2.725900 3.598711 1.474735 1.509680 0.000000 6 C 3.130290 3.486709 2.452031 2.457643 1.518614 7 C 2.720922 2.930995 2.924993 2.858548 2.473742 8 C 1.951071 2.749190 2.657932 2.393674 2.589999 9 C 2.789280 3.980531 2.875610 1.339486 2.391613 10 H 4.096008 5.363598 3.218555 1.085197 2.272748 11 H 3.605852 4.395182 2.037840 2.188872 1.090512 12 H 2.474549 3.019264 3.605726 3.350896 3.680103 13 H 3.583301 4.801780 3.861219 2.145389 3.428101 14 C 4.354146 4.466859 3.494342 3.519988 2.498827 15 H 5.019245 4.901793 4.410201 4.398751 3.502575 16 H 4.943103 5.141778 3.758832 3.837028 2.729426 17 C 3.634473 3.359796 4.107386 4.162663 3.758612 18 H 3.906757 3.554244 4.749845 4.775733 4.574740 19 H 4.465310 4.008157 4.703662 4.852835 4.247524 6 7 8 9 10 6 C 0.000000 7 C 1.482486 0.000000 8 C 2.476658 1.510251 0.000000 9 C 2.834004 2.488833 1.494500 0.000000 10 H 3.320564 3.881811 3.428613 2.149340 0.000000 11 H 2.176308 3.432088 3.680410 3.339561 2.514727 12 H 3.441708 2.181700 1.090838 2.193348 4.312457 13 H 3.863074 3.372181 2.252405 1.085941 2.562920 14 C 1.337880 2.525382 3.766245 4.067431 4.165545 15 H 2.125546 2.822126 4.261343 4.740701 5.073376 16 H 2.116443 3.502928 4.581451 4.665905 4.268556 17 C 2.517513 1.339185 2.492174 3.641501 5.156575 18 H 3.497932 2.117984 2.726172 3.980941 5.778967 19 H 2.805177 2.124961 3.493972 4.536715 5.789277 11 12 13 14 15 11 H 0.000000 12 H 4.770478 0.000000 13 H 4.300819 2.514770 0.000000 14 C 2.638452 4.658408 5.044792 0.000000 15 H 3.723837 4.987937 5.650705 1.086188 0.000000 16 H 2.409711 5.555021 5.643569 1.086137 1.847393 17 C 4.640212 2.650252 4.353227 3.088922 2.896128 18 H 5.539148 2.425784 4.496178 4.170081 3.949926 19 H 4.959098 3.735109 5.294644 2.882641 2.336987 16 17 18 19 16 H 0.000000 17 C 4.166957 0.000000 18 H 5.246501 1.085532 0.000000 19 H 3.933268 1.085849 1.847166 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.709032 0.040693 -0.281871 2 8 0 1.758320 1.392938 -0.893306 3 8 0 0.675506 -0.970992 -1.174213 4 6 0 -0.496662 -1.948398 0.703138 5 6 0 -0.664320 -1.254848 -0.627280 6 6 0 -1.418951 0.043600 -0.402002 7 6 0 -0.721994 0.898934 0.588159 8 6 0 0.457650 0.188029 1.207764 9 6 0 0.108143 -1.200646 1.635501 10 1 0 -0.822938 -2.972551 0.852490 11 1 0 -1.137825 -1.875821 -1.388465 12 1 0 0.972023 0.789352 1.958602 13 1 0 0.362445 -1.556358 2.629516 14 6 0 -2.572837 0.308267 -1.025237 15 1 0 -3.139849 1.214482 -0.832687 16 1 0 -2.990844 -0.379497 -1.754582 17 6 0 -0.997509 2.181064 0.859548 18 1 0 -0.410021 2.745988 1.576554 19 1 0 -1.809217 2.711748 0.371108 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3559917 1.1154388 0.9411540 Standard basis: 6-31G(d) (6D, 7F) There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.6298144279 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.17D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000195 -0.000102 0.000671 Ang= -0.08 deg. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.174393354 A.U. after 9 cycles NFock= 9 Conv=0.37D-08 -V/T= 2.0066 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 0.000058410 -0.000037187 0.000207596 2 8 0.000004636 0.000073374 -0.000065235 3 8 -0.000212599 -0.000028511 -0.000111372 4 6 -0.000010128 0.000011361 -0.000059258 5 6 0.000163279 -0.000024521 0.000003931 6 6 -0.000023548 -0.000012258 -0.000016769 7 6 0.000041492 -0.000046008 0.000011026 8 6 -0.000053113 0.000052715 -0.000026528 9 6 0.000015123 -0.000027294 0.000033758 10 1 -0.000012589 0.000001869 0.000006270 11 1 0.000003728 -0.000019319 0.000001058 12 1 0.000017413 0.000000839 -0.000007082 13 1 0.000005971 0.000002858 0.000000174 14 6 -0.000064003 0.000026151 -0.000009210 15 1 0.000025727 0.000003887 0.000015181 16 1 0.000030095 -0.000018138 0.000005277 17 6 -0.000002884 0.000099764 0.000021598 18 1 0.000015817 -0.000029969 0.000002520 19 1 -0.000002827 -0.000029615 -0.000012935 ------------------------------------------------------------------- Cartesian Forces: Max 0.000212599 RMS 0.000056352 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000130353 RMS 0.000024825 Search for a local minimum. Step number 8 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 1 2 3 4 5 6 7 8 DE= -1.11D-06 DEPred=-7.93D-07 R= 1.40D+00 TightC=F SS= 1.41D+00 RLast= 1.01D-02 DXNew= 8.4853D-01 3.0291D-02 Trust test= 1.40D+00 RLast= 1.01D-02 DXMaxT set to 5.05D-01 ITU= 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00294 0.00840 0.01181 0.01275 0.01767 Eigenvalues --- 0.02031 0.02114 0.02762 0.02957 0.02979 Eigenvalues --- 0.03129 0.04621 0.05113 0.05305 0.07479 Eigenvalues --- 0.08124 0.08406 0.10274 0.11487 0.13069 Eigenvalues --- 0.14877 0.15852 0.15980 0.15992 0.16001 Eigenvalues --- 0.16044 0.16253 0.17304 0.21309 0.21625 Eigenvalues --- 0.24822 0.24956 0.28118 0.28875 0.29289 Eigenvalues --- 0.30836 0.32067 0.32442 0.33029 0.33395 Eigenvalues --- 0.35646 0.35760 0.35871 0.35925 0.35993 Eigenvalues --- 0.36055 0.37721 0.53571 0.58317 0.58790 Eigenvalues --- 0.87210 En-DIIS/RFO-DIIS IScMMF= 0 using points: 8 7 6 5 4 RFO step: Lambda=-1.56629023D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.73533 -0.61775 -0.30623 0.28967 -0.10101 Iteration 1 RMS(Cart)= 0.00146274 RMS(Int)= 0.00000227 Iteration 2 RMS(Cart)= 0.00000118 RMS(Int)= 0.00000204 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000204 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.80600 0.00009 -0.00018 0.00008 -0.00010 2.80591 R2 3.21140 0.00013 0.00028 0.00038 0.00066 3.21206 R3 3.68699 -0.00004 0.00020 -0.00013 0.00007 3.68706 R4 2.78685 -0.00011 -0.00034 -0.00024 -0.00058 2.78626 R5 2.85288 -0.00002 0.00000 0.00003 0.00003 2.85291 R6 2.53126 0.00004 -0.00017 0.00017 0.00000 2.53126 R7 2.05072 0.00000 0.00003 -0.00001 0.00002 2.05074 R8 2.86976 0.00003 -0.00001 0.00004 0.00003 2.86979 R9 2.06077 0.00001 0.00002 0.00001 0.00003 2.06079 R10 2.80149 0.00003 0.00011 0.00010 0.00021 2.80170 R11 2.52823 0.00000 0.00005 -0.00006 -0.00001 2.52821 R12 2.85396 -0.00005 -0.00029 -0.00009 -0.00038 2.85358 R13 2.53069 0.00004 0.00006 0.00006 0.00012 2.53081 R14 2.82420 0.00003 0.00015 0.00002 0.00017 2.82437 R15 2.06138 0.00000 0.00001 -0.00003 -0.00001 2.06137 R16 2.05213 0.00000 -0.00006 0.00007 0.00001 2.05214 R17 2.05260 -0.00001 -0.00004 0.00002 -0.00003 2.05257 R18 2.05250 0.00000 -0.00003 0.00004 0.00001 2.05251 R19 2.05136 -0.00001 -0.00007 0.00007 0.00000 2.05136 R20 2.05196 -0.00001 -0.00003 0.00001 -0.00002 2.05194 A1 1.92422 -0.00003 -0.00043 -0.00032 -0.00075 1.92347 A2 1.84098 0.00003 0.00056 0.00000 0.00056 1.84154 A3 1.62662 0.00000 0.00003 -0.00001 0.00001 1.62662 A4 2.06279 -0.00001 -0.00008 0.00009 0.00001 2.06279 A5 1.99007 0.00001 0.00006 0.00008 0.00014 1.99021 A6 2.11935 0.00000 -0.00007 -0.00006 -0.00013 2.11922 A7 2.17341 -0.00001 0.00002 -0.00001 0.00001 2.17342 A8 1.89058 0.00002 0.00066 0.00014 0.00080 1.89138 A9 1.91974 -0.00001 -0.00036 -0.00014 -0.00051 1.91923 A10 1.81854 -0.00001 -0.00006 0.00009 0.00004 1.81858 A11 1.89363 -0.00001 0.00004 -0.00016 -0.00011 1.89352 A12 1.98422 -0.00001 -0.00038 0.00004 -0.00034 1.98388 A13 1.95482 0.00001 0.00011 0.00004 0.00014 1.95497 A14 1.93775 0.00000 -0.00025 0.00002 -0.00024 1.93751 A15 2.12777 0.00001 0.00032 -0.00006 0.00027 2.12804 A16 2.21739 -0.00001 -0.00006 0.00004 -0.00002 2.21737 A17 1.94942 0.00001 0.00015 0.00000 0.00015 1.94957 A18 2.20311 0.00001 -0.00018 0.00008 -0.00010 2.20301 A19 2.12730 -0.00002 0.00002 -0.00011 -0.00010 2.12720 A20 1.79598 0.00000 0.00025 -0.00007 0.00018 1.79616 A21 1.87375 -0.00001 -0.00055 -0.00017 -0.00072 1.87303 A22 1.83871 -0.00001 -0.00003 -0.00017 -0.00020 1.83850 A23 1.95211 0.00001 0.00025 0.00021 0.00045 1.95256 A24 1.97276 0.00000 0.00021 0.00000 0.00021 1.97297 A25 2.01030 0.00001 -0.00015 0.00013 -0.00002 2.01028 A26 2.00985 -0.00001 -0.00009 -0.00002 -0.00011 2.00974 A27 2.16520 0.00001 0.00018 0.00000 0.00018 2.16538 A28 2.10782 0.00000 -0.00009 0.00001 -0.00008 2.10774 A29 2.13258 -0.00001 0.00000 -0.00008 -0.00008 2.13250 A30 2.11703 -0.00003 -0.00023 0.00000 -0.00023 2.11680 A31 2.03357 0.00004 0.00023 0.00009 0.00032 2.03389 A32 2.11853 -0.00002 -0.00013 -0.00002 -0.00015 2.11838 A33 2.13003 -0.00002 -0.00015 -0.00003 -0.00018 2.12986 A34 2.03458 0.00004 0.00027 0.00005 0.00033 2.03491 D1 -1.80843 -0.00005 -0.00278 -0.00103 -0.00382 -1.81225 D2 0.07288 -0.00003 -0.00224 -0.00110 -0.00334 0.06954 D3 0.83387 -0.00002 0.00101 0.00024 0.00125 0.83512 D4 2.89577 -0.00001 0.00117 0.00036 0.00154 2.89731 D5 -1.23654 -0.00001 0.00069 0.00033 0.00102 -1.23552 D6 -1.12151 0.00001 0.00136 0.00058 0.00194 -1.11957 D7 0.94039 0.00001 0.00152 0.00071 0.00223 0.94262 D8 3.09126 0.00001 0.00103 0.00068 0.00171 3.09297 D9 -1.06513 0.00002 0.00192 0.00099 0.00291 -1.06223 D10 1.00189 0.00002 0.00215 0.00080 0.00296 1.00484 D11 3.10006 0.00002 0.00207 0.00083 0.00289 3.10295 D12 1.10751 0.00001 -0.00004 0.00011 0.00007 1.10757 D13 -0.97603 0.00000 -0.00001 0.00029 0.00028 -0.97574 D14 3.11987 0.00000 0.00010 0.00033 0.00043 3.12030 D15 -2.00658 0.00000 -0.00078 -0.00005 -0.00083 -2.00741 D16 2.19307 0.00000 -0.00075 0.00013 -0.00061 2.19246 D17 0.00579 0.00000 -0.00064 0.00018 -0.00047 0.00532 D18 0.03746 0.00001 -0.00014 -0.00045 -0.00059 0.03687 D19 -3.07747 0.00001 -0.00004 -0.00021 -0.00025 -3.07773 D20 -3.13263 0.00001 0.00062 -0.00029 0.00034 -3.13229 D21 0.03563 0.00001 0.00072 -0.00005 0.00067 0.03630 D22 -1.08039 -0.00001 -0.00015 0.00065 0.00051 -1.07988 D23 2.08450 -0.00001 -0.00035 0.00054 0.00019 2.08469 D24 0.98476 0.00001 0.00047 0.00065 0.00112 0.98587 D25 -2.13354 0.00000 0.00026 0.00054 0.00080 -2.13274 D26 -3.09398 0.00000 0.00008 0.00061 0.00069 -3.09328 D27 0.07091 -0.00001 -0.00012 0.00050 0.00038 0.07128 D28 -0.10673 -0.00001 -0.00076 -0.00114 -0.00190 -0.10863 D29 2.94769 -0.00001 -0.00104 -0.00147 -0.00251 2.94519 D30 3.01009 -0.00001 -0.00053 -0.00102 -0.00156 3.00853 D31 -0.21867 -0.00001 -0.00081 -0.00135 -0.00217 -0.22084 D32 3.09053 0.00001 0.00018 0.00006 0.00024 3.09078 D33 -0.05103 0.00000 0.00049 -0.00034 0.00015 -0.05088 D34 -0.02382 0.00000 -0.00006 -0.00007 -0.00012 -0.02394 D35 3.11780 0.00000 0.00025 -0.00046 -0.00022 3.11759 D36 1.19249 0.00000 0.00027 0.00072 0.00098 1.19348 D37 -0.81351 0.00001 0.00066 0.00086 0.00152 -0.81199 D38 -3.11658 0.00000 0.00046 0.00048 0.00094 -3.11564 D39 -1.86629 0.00000 0.00054 0.00102 0.00156 -1.86474 D40 2.41089 0.00001 0.00093 0.00117 0.00210 2.41299 D41 0.10782 0.00000 0.00074 0.00078 0.00152 0.10933 D42 -3.10065 0.00000 0.00021 -0.00018 0.00003 -3.10062 D43 0.03076 0.00000 0.00026 -0.00012 0.00015 0.03091 D44 -0.05448 0.00000 -0.00009 -0.00053 -0.00062 -0.05510 D45 3.07694 0.00000 -0.00004 -0.00047 -0.00051 3.07643 D46 -1.07524 0.00000 -0.00028 0.00011 -0.00017 -1.07541 D47 2.04065 0.00000 -0.00037 -0.00013 -0.00049 2.04016 D48 0.88251 0.00000 -0.00017 0.00003 -0.00014 0.88238 D49 -2.28478 0.00000 -0.00025 -0.00020 -0.00045 -2.28524 D50 -3.11665 0.00001 0.00022 0.00036 0.00059 -3.11607 D51 -0.00077 0.00001 0.00014 0.00013 0.00027 -0.00050 Item Value Threshold Converged? Maximum Force 0.000130 0.000450 YES RMS Force 0.000025 0.000300 YES Maximum Displacement 0.005289 0.001800 NO RMS Displacement 0.001463 0.001200 NO Predicted change in Energy=-3.639398D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.667623 0.145361 -0.194640 2 8 0 1.686941 1.542284 -0.697560 3 8 0 0.695699 -0.825581 -1.195528 4 6 0 -0.490141 -1.988801 0.564213 5 6 0 -0.646519 -1.198912 -0.712816 6 6 0 -1.454861 0.050616 -0.410330 7 6 0 -0.816726 0.849630 0.663195 8 6 0 0.369887 0.133164 1.262262 9 6 0 0.060051 -1.296187 1.570094 10 1 0 -0.782707 -3.032141 0.623543 11 1 0 -1.075498 -1.774425 -1.533796 12 1 0 0.840805 0.690954 2.072830 13 1 0 0.299509 -1.719848 2.540891 14 6 0 -2.600598 0.323001 -1.045152 15 1 0 -3.205626 1.191094 -0.799939 16 1 0 -2.972924 -0.319745 -1.837589 17 6 0 -1.145153 2.097170 1.022860 18 1 0 -0.598397 2.624175 1.798555 19 1 0 -1.961246 2.636474 0.551493 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.484821 0.000000 3 O 1.699748 2.614827 0.000000 4 C 3.128331 4.335933 2.419914 0.000000 5 C 2.725956 3.599920 1.474428 1.509696 0.000000 6 C 3.131359 3.489771 2.451360 2.457568 1.518630 7 C 2.721005 2.932537 2.923802 2.858871 2.473642 8 C 1.951111 2.749755 2.658210 2.393670 2.590067 9 C 2.788662 3.980696 2.876488 1.339485 2.391732 10 H 4.095127 5.363752 3.219256 1.085206 2.272692 11 H 3.606055 4.396694 2.037614 2.188662 1.090525 12 H 2.474413 3.019234 3.605981 3.350885 3.680157 13 H 3.582440 4.801462 3.862319 2.145493 3.428258 14 C 4.355759 4.471069 3.493913 3.519732 2.499018 15 H 5.020807 4.906224 4.409514 4.398466 3.502678 16 H 4.944723 5.145985 3.758578 3.836484 2.729507 17 C 3.633673 3.359837 4.105175 4.163479 3.758373 18 H 3.905405 3.553005 4.747634 4.776491 4.574417 19 H 4.464421 4.008324 4.700773 4.853605 4.247020 6 7 8 9 10 6 C 0.000000 7 C 1.482598 0.000000 8 C 2.476709 1.510052 0.000000 9 C 2.833887 2.489123 1.494592 0.000000 10 H 3.320252 3.882122 3.428643 2.149356 0.000000 11 H 2.176434 3.432113 3.680486 3.339508 2.514296 12 H 3.441831 2.181664 1.090831 2.193411 4.312500 13 H 3.862909 3.372527 2.252443 1.085945 2.563109 14 C 1.337873 2.525468 3.766163 4.066981 4.164882 15 H 2.125479 2.822092 4.261008 4.740071 5.072726 16 H 2.116305 3.502934 4.581330 4.665262 4.267471 17 C 2.517606 1.339246 2.491983 3.642370 5.157582 18 H 3.497987 2.117951 2.725861 3.981832 5.780011 19 H 2.805030 2.124904 3.493699 4.537512 5.790280 11 12 13 14 15 11 H 0.000000 12 H 4.770541 0.000000 13 H 4.300778 2.514766 0.000000 14 C 2.638920 4.658375 5.044160 0.000000 15 H 3.724285 4.987640 5.649841 1.086174 0.000000 16 H 2.410106 5.554945 5.642711 1.086142 1.847566 17 C 4.640107 2.650267 4.354434 3.089121 2.896398 18 H 5.538941 2.425669 4.497536 4.170237 3.950131 19 H 4.958731 3.735105 5.295872 2.882743 2.337515 16 17 18 19 16 H 0.000000 17 C 4.167060 0.000000 18 H 5.246578 1.085531 0.000000 19 H 3.933247 1.085837 1.847342 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.709150 0.037651 -0.281590 2 8 0 1.762767 1.389796 -0.892757 3 8 0 0.672561 -0.970032 -1.175569 4 6 0 -0.498923 -1.947863 0.702583 5 6 0 -0.666519 -1.253618 -0.627499 6 6 0 -1.419914 0.045391 -0.401209 7 6 0 -0.720630 0.900095 0.588024 8 6 0 0.457636 0.187427 1.207742 9 6 0 0.106614 -1.201045 1.635217 10 1 0 -0.826608 -2.971613 0.851689 11 1 0 -1.141057 -1.874098 -1.388461 12 1 0 0.973110 0.787850 1.958537 13 1 0 0.360784 -1.557241 2.629097 14 6 0 -2.574328 0.311310 -1.022915 15 1 0 -3.140046 1.218141 -0.829536 16 1 0 -2.993794 -0.376103 -1.751760 17 6 0 -0.992944 2.183282 0.857940 18 1 0 -0.403898 2.747455 1.574259 19 1 0 -1.803474 2.715215 0.368929 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3565545 1.1150930 0.9407811 Standard basis: 6-31G(d) (6D, 7F) There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.6086879644 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.17D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000015 -0.000141 0.000823 Ang= -0.10 deg. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.174393933 A.U. after 9 cycles NFock= 9 Conv=0.41D-08 -V/T= 2.0066 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 0.000012860 -0.000074246 0.000141301 2 8 0.000001132 0.000109680 -0.000039244 3 8 -0.000099572 -0.000065562 -0.000061879 4 6 -0.000017256 0.000007032 -0.000019807 5 6 0.000096673 0.000001305 -0.000005833 6 6 0.000008155 0.000030338 0.000031507 7 6 -0.000048078 -0.000010972 -0.000021420 8 6 0.000025263 -0.000023850 -0.000033205 9 6 0.000025584 0.000015061 0.000009745 10 1 0.000002203 0.000002263 0.000007780 11 1 -0.000005598 -0.000002664 -0.000006484 12 1 0.000008970 0.000009331 -0.000000433 13 1 -0.000005310 -0.000004488 -0.000006044 14 6 -0.000025790 -0.000000013 -0.000005421 15 1 0.000006004 0.000001175 0.000009229 16 1 0.000008084 0.000001074 0.000004665 17 6 0.000003563 0.000023918 0.000002894 18 1 0.000000182 -0.000012604 -0.000002146 19 1 0.000002931 -0.000006779 -0.000005205 ------------------------------------------------------------------- Cartesian Forces: Max 0.000141301 RMS 0.000036917 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000116123 RMS 0.000017753 Search for a local minimum. Step number 9 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 1 2 3 4 5 6 7 8 9 DE= -5.80D-07 DEPred=-3.64D-07 R= 1.59D+00 Trust test= 1.59D+00 RLast= 1.05D-02 DXMaxT set to 5.05D-01 ITU= 0 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00270 0.00736 0.01181 0.01273 0.01771 Eigenvalues --- 0.02018 0.02130 0.02754 0.02958 0.02971 Eigenvalues --- 0.03176 0.04550 0.05124 0.05357 0.07553 Eigenvalues --- 0.08065 0.08437 0.10265 0.11460 0.13018 Eigenvalues --- 0.14248 0.15096 0.15991 0.15996 0.16002 Eigenvalues --- 0.16018 0.16417 0.17471 0.20827 0.21759 Eigenvalues --- 0.24702 0.24880 0.27886 0.28718 0.28938 Eigenvalues --- 0.30837 0.31563 0.32793 0.33241 0.34074 Eigenvalues --- 0.35642 0.35759 0.35827 0.35916 0.35955 Eigenvalues --- 0.36055 0.37678 0.52893 0.58160 0.58812 Eigenvalues --- 0.84711 En-DIIS/RFO-DIIS IScMMF= 0 using points: 9 8 7 6 5 RFO step: Lambda=-5.90972348D-08. DidBck=F Rises=F RFO-DIIS coefs: 1.41384 -0.43685 -0.03604 0.07226 -0.01321 Iteration 1 RMS(Cart)= 0.00070459 RMS(Int)= 0.00000028 Iteration 2 RMS(Cart)= 0.00000024 RMS(Int)= 0.00000019 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.80591 0.00012 0.00009 0.00004 0.00013 2.80603 R2 3.21206 0.00008 0.00031 0.00020 0.00051 3.21257 R3 3.68706 -0.00005 -0.00013 -0.00017 -0.00030 3.68676 R4 2.78626 -0.00006 -0.00023 -0.00012 -0.00035 2.78591 R5 2.85291 -0.00001 -0.00004 0.00005 0.00001 2.85292 R6 2.53126 0.00001 0.00003 -0.00003 0.00000 2.53126 R7 2.05074 0.00000 0.00000 0.00000 0.00000 2.05074 R8 2.86979 0.00003 0.00004 0.00007 0.00011 2.86991 R9 2.06079 0.00001 0.00003 0.00000 0.00003 2.06083 R10 2.80170 -0.00003 0.00006 -0.00015 -0.00009 2.80162 R11 2.52821 0.00001 0.00001 0.00000 0.00001 2.52822 R12 2.85358 0.00002 -0.00008 0.00009 0.00000 2.85359 R13 2.53081 0.00000 0.00006 -0.00003 0.00003 2.53084 R14 2.82437 -0.00001 0.00001 -0.00001 0.00000 2.82437 R15 2.06137 0.00001 0.00001 0.00002 0.00002 2.06140 R16 2.05214 0.00000 0.00000 -0.00001 -0.00001 2.05212 R17 2.05257 0.00000 -0.00003 0.00002 -0.00001 2.05256 R18 2.05251 -0.00001 -0.00001 0.00000 -0.00002 2.05249 R19 2.05136 -0.00001 -0.00002 0.00000 -0.00003 2.05133 R20 2.05194 0.00000 -0.00003 0.00001 -0.00001 2.05192 A1 1.92347 -0.00001 -0.00024 0.00003 -0.00021 1.92326 A2 1.84154 0.00000 0.00009 0.00007 0.00016 1.84170 A3 1.62662 0.00001 0.00005 0.00002 0.00007 1.62669 A4 2.06279 -0.00002 -0.00007 -0.00009 -0.00016 2.06263 A5 1.99021 0.00001 0.00008 -0.00002 0.00006 1.99027 A6 2.11922 0.00001 -0.00001 0.00003 0.00003 2.11925 A7 2.17342 -0.00001 -0.00006 -0.00002 -0.00008 2.17334 A8 1.89138 0.00001 0.00029 0.00006 0.00035 1.89173 A9 1.91923 0.00001 -0.00019 0.00013 -0.00006 1.91918 A10 1.81858 -0.00001 0.00000 0.00002 0.00002 1.81860 A11 1.89352 -0.00002 -0.00005 -0.00010 -0.00015 1.89337 A12 1.98388 0.00000 -0.00009 -0.00003 -0.00011 1.98377 A13 1.95497 0.00000 0.00004 -0.00007 -0.00003 1.95493 A14 1.93751 0.00001 -0.00006 -0.00002 -0.00008 1.93743 A15 2.12804 0.00001 0.00006 0.00008 0.00013 2.12817 A16 2.21737 -0.00001 0.00001 -0.00006 -0.00005 2.21732 A17 1.94957 0.00000 0.00004 0.00000 0.00003 1.94960 A18 2.20301 0.00000 0.00003 -0.00006 -0.00003 2.20298 A19 2.12720 0.00000 -0.00008 0.00005 -0.00004 2.12717 A20 1.79616 0.00001 0.00008 0.00012 0.00020 1.79636 A21 1.87303 0.00000 -0.00020 -0.00011 -0.00031 1.87272 A22 1.83850 -0.00001 -0.00014 -0.00001 -0.00016 1.83834 A23 1.95256 0.00000 0.00011 0.00005 0.00016 1.95273 A24 1.97297 0.00000 0.00008 -0.00005 0.00003 1.97299 A25 2.01028 0.00000 0.00004 0.00001 0.00005 2.01033 A26 2.00974 0.00000 -0.00006 -0.00002 -0.00008 2.00966 A27 2.16538 -0.00001 0.00005 -0.00004 0.00002 2.16540 A28 2.10774 0.00001 0.00000 0.00006 0.00007 2.10781 A29 2.13250 -0.00001 -0.00007 -0.00002 -0.00009 2.13241 A30 2.11680 0.00000 -0.00015 0.00007 -0.00008 2.11672 A31 2.03389 0.00001 0.00022 -0.00005 0.00017 2.03406 A32 2.11838 -0.00001 -0.00013 0.00003 -0.00009 2.11828 A33 2.12986 -0.00001 -0.00010 0.00002 -0.00008 2.12977 A34 2.03491 0.00001 0.00023 -0.00005 0.00018 2.03509 D1 -1.81225 0.00000 -0.00111 -0.00037 -0.00148 -1.81373 D2 0.06954 0.00000 -0.00104 -0.00029 -0.00133 0.06821 D3 0.83512 0.00000 0.00038 0.00025 0.00064 0.83576 D4 2.89731 0.00000 0.00046 0.00032 0.00078 2.89809 D5 -1.23552 0.00000 0.00032 0.00026 0.00059 -1.23493 D6 -1.11957 0.00001 0.00061 0.00020 0.00081 -1.11876 D7 0.94262 0.00001 0.00069 0.00027 0.00096 0.94358 D8 3.09297 0.00001 0.00055 0.00021 0.00076 3.09373 D9 -1.06223 0.00001 0.00094 0.00021 0.00115 -1.06107 D10 1.00484 0.00000 0.00095 0.00020 0.00115 1.00599 D11 3.10295 0.00000 0.00089 0.00020 0.00109 3.10405 D12 1.10757 0.00001 -0.00001 0.00001 0.00000 1.10757 D13 -0.97574 0.00000 0.00008 -0.00013 -0.00005 -0.97580 D14 3.12030 0.00001 0.00013 0.00005 0.00018 3.12048 D15 -2.00741 0.00001 -0.00035 0.00008 -0.00028 -2.00768 D16 2.19246 0.00000 -0.00026 -0.00006 -0.00032 2.19214 D17 0.00532 0.00000 -0.00021 0.00012 -0.00009 0.00523 D18 0.03687 0.00001 -0.00015 0.00006 -0.00008 0.03679 D19 -3.07773 0.00000 -0.00007 -0.00008 -0.00015 -3.07788 D20 -3.13229 0.00001 0.00021 -0.00001 0.00020 -3.13209 D21 0.03630 0.00000 0.00028 -0.00015 0.00013 0.03643 D22 -1.07988 0.00000 0.00004 0.00016 0.00020 -1.07968 D23 2.08469 0.00000 -0.00004 0.00035 0.00031 2.08500 D24 0.98587 0.00000 0.00025 0.00025 0.00051 0.98638 D25 -2.13274 0.00000 0.00017 0.00045 0.00062 -2.13212 D26 -3.09328 0.00000 0.00013 0.00010 0.00023 -3.09305 D27 0.07128 0.00000 0.00005 0.00029 0.00035 0.07163 D28 -0.10863 -0.00001 -0.00046 -0.00028 -0.00074 -0.10937 D29 2.94519 -0.00001 -0.00064 -0.00052 -0.00116 2.94403 D30 3.00853 -0.00001 -0.00038 -0.00049 -0.00086 3.00767 D31 -0.22084 -0.00001 -0.00055 -0.00073 -0.00128 -0.22212 D32 3.09078 0.00000 0.00005 -0.00020 -0.00015 3.09063 D33 -0.05088 0.00000 0.00005 -0.00016 -0.00011 -0.05098 D34 -0.02394 0.00000 -0.00004 0.00003 -0.00001 -0.02396 D35 3.11759 0.00000 -0.00004 0.00007 0.00003 3.11762 D36 1.19348 0.00000 0.00022 0.00013 0.00035 1.19383 D37 -0.81199 0.00000 0.00036 0.00017 0.00053 -0.81146 D38 -3.11564 0.00000 0.00013 0.00016 0.00029 -3.11535 D39 -1.86474 0.00000 0.00038 0.00037 0.00075 -1.86399 D40 2.41299 0.00000 0.00052 0.00040 0.00093 2.41391 D41 0.10933 0.00000 0.00029 0.00039 0.00068 0.11002 D42 -3.10062 0.00000 0.00007 0.00000 0.00007 -3.10055 D43 0.03091 0.00000 0.00003 0.00000 0.00003 0.03094 D44 -0.05510 0.00000 -0.00012 -0.00026 -0.00038 -0.05548 D45 3.07643 0.00000 -0.00016 -0.00026 -0.00042 3.07601 D46 -1.07541 -0.00001 -0.00006 -0.00017 -0.00023 -1.07564 D47 2.04016 0.00000 -0.00013 -0.00003 -0.00016 2.04000 D48 0.88238 0.00000 -0.00002 -0.00006 -0.00009 0.88229 D49 -2.28524 0.00000 -0.00009 0.00007 -0.00002 -2.28526 D50 -3.11607 0.00000 0.00024 -0.00008 0.00015 -3.11591 D51 -0.00050 0.00001 0.00017 0.00006 0.00022 -0.00028 Item Value Threshold Converged? Maximum Force 0.000116 0.000450 YES RMS Force 0.000018 0.000300 YES Maximum Displacement 0.002484 0.001800 NO RMS Displacement 0.000705 0.001200 YES Predicted change in Energy=-8.817359D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.667791 0.145165 -0.193847 2 8 0 1.688256 1.542277 -0.696393 3 8 0 0.695517 -0.824748 -1.195851 4 6 0 -0.489935 -1.988798 0.563823 5 6 0 -0.646303 -1.198689 -0.713075 6 6 0 -1.455093 0.050540 -0.410252 7 6 0 -0.816886 0.849645 0.663098 8 6 0 0.369573 0.133130 1.262414 9 6 0 0.059937 -1.296322 1.569976 10 1 0 -0.782490 -3.032149 0.622999 11 1 0 -1.075204 -1.774192 -1.534124 12 1 0 0.840380 0.690892 2.073083 13 1 0 0.299199 -1.720128 2.540749 14 6 0 -2.601225 0.322578 -1.044521 15 1 0 -3.206435 1.190398 -0.798807 16 1 0 -2.973583 -0.320235 -1.836875 17 6 0 -1.144839 2.097502 1.022152 18 1 0 -0.597965 2.624513 1.797741 19 1 0 -1.960576 2.636903 0.550296 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.484888 0.000000 3 O 1.700018 2.614918 0.000000 4 C 3.127882 4.336029 2.420075 0.000000 5 C 2.725908 3.600463 1.474241 1.509700 0.000000 6 C 3.131803 3.491103 2.451208 2.457489 1.518689 7 C 2.721078 2.933205 2.923465 2.858935 2.473585 8 C 1.950951 2.749827 2.658353 2.393609 2.590039 9 C 2.788217 3.980640 2.876829 1.339487 2.391784 10 H 4.094685 5.363838 3.219525 1.085206 2.272712 11 H 3.606147 4.397439 2.037480 2.188602 1.090542 12 H 2.474146 3.018899 3.606117 3.350871 3.680138 13 H 3.581952 4.801235 3.862766 2.145496 3.428301 14 C 4.356560 4.473086 3.493961 3.519485 2.499165 15 H 5.021610 4.908391 4.409500 4.398116 3.502765 16 H 4.945553 5.148048 3.758689 3.836139 2.729623 17 C 3.633340 3.359777 4.104388 4.163750 3.758248 18 H 3.904771 3.552287 4.746798 4.776699 4.574210 19 H 4.464029 4.008293 4.699669 4.853873 4.246785 6 7 8 9 10 6 C 0.000000 7 C 1.482551 0.000000 8 C 2.476700 1.510053 0.000000 9 C 2.833841 2.489261 1.494591 0.000000 10 H 3.320087 3.882154 3.428570 2.149313 0.000000 11 H 2.176476 3.432059 3.680473 3.339512 2.514223 12 H 3.441831 2.181694 1.090844 2.193451 4.312480 13 H 3.862799 3.372677 2.252478 1.085937 2.563049 14 C 1.337878 2.525396 3.766096 4.066720 4.164446 15 H 2.125429 2.821918 4.260784 4.739630 5.072174 16 H 2.116256 3.502831 4.581248 4.664935 4.266890 17 C 2.517558 1.339261 2.491973 3.642752 5.157901 18 H 3.497891 2.117899 2.725746 3.982167 5.780302 19 H 2.804896 2.124863 3.493650 4.537894 5.790624 11 12 13 14 15 11 H 0.000000 12 H 4.770539 0.000000 13 H 4.300756 2.514876 0.000000 14 C 2.639108 4.658299 5.043735 0.000000 15 H 3.724463 4.987381 5.649183 1.086171 0.000000 16 H 2.410289 5.554859 5.642198 1.086133 1.847652 17 C 4.639980 2.650302 4.354960 3.089102 2.896361 18 H 5.538743 2.425601 4.498096 4.170180 3.950045 19 H 4.958472 3.735130 5.296433 2.882702 2.337652 16 17 18 19 16 H 0.000000 17 C 4.166989 0.000000 18 H 5.246478 1.085518 0.000000 19 H 3.933120 1.085831 1.847426 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.709197 0.036380 -0.281423 2 8 0 1.764639 1.388567 -0.892494 3 8 0 0.671395 -0.969855 -1.176140 4 6 0 -0.499816 -1.947517 0.702478 5 6 0 -0.667330 -1.253150 -0.627555 6 6 0 -1.420312 0.046102 -0.400891 7 6 0 -0.720161 0.900608 0.587828 8 6 0 0.457689 0.187291 1.207592 9 6 0 0.106120 -1.201026 1.635117 10 1 0 -0.828083 -2.971065 0.851683 11 1 0 -1.142383 -1.873458 -1.388360 12 1 0 0.973629 0.787500 1.958256 13 1 0 0.360143 -1.557360 2.628977 14 6 0 -2.575124 0.312344 -1.021732 15 1 0 -3.140407 1.219327 -0.827816 16 1 0 -2.995246 -0.374986 -1.750264 17 6 0 -0.991147 2.184255 0.856970 18 1 0 -0.401444 2.748172 1.572928 19 1 0 -1.801141 2.716653 0.367591 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3568541 1.1149507 0.9405883 Standard basis: 6-31G(d) (6D, 7F) There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.5988894536 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.17D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000037 -0.000066 0.000323 Ang= 0.04 deg. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.174394070 A.U. after 8 cycles NFock= 8 Conv=0.59D-08 -V/T= 2.0066 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 -0.000001053 -0.000014796 0.000059142 2 8 -0.000002590 0.000038487 -0.000010198 3 8 -0.000037402 -0.000040987 -0.000013976 4 6 -0.000004663 -0.000003240 0.000004879 5 6 0.000032668 0.000014185 -0.000024927 6 6 0.000003837 0.000010269 0.000024335 7 6 -0.000027511 0.000006065 -0.000014214 8 6 0.000039807 -0.000015407 -0.000025555 9 6 0.000001261 0.000010100 0.000000769 10 1 0.000004078 -0.000000275 0.000000971 11 1 -0.000006474 0.000001722 -0.000002677 12 1 0.000000084 0.000004463 -0.000000465 13 1 -0.000003604 -0.000004327 -0.000001850 14 6 0.000000203 -0.000012189 0.000003256 15 1 -0.000002961 -0.000001234 0.000002004 16 1 -0.000003449 0.000006797 -0.000002149 17 6 0.000009611 -0.000005513 -0.000003327 18 1 -0.000004644 0.000002781 0.000001953 19 1 0.000002802 0.000003097 0.000002028 ------------------------------------------------------------------- Cartesian Forces: Max 0.000059142 RMS 0.000016419 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000039239 RMS 0.000007811 Search for a local minimum. Step number 10 out of a maximum of 114 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 1 2 3 4 5 6 7 8 9 10 DE= -1.37D-07 DEPred=-8.82D-08 R= 1.55D+00 Trust test= 1.55D+00 RLast= 4.57D-03 DXMaxT set to 5.05D-01 ITU= 0 0 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00246 0.00816 0.01180 0.01274 0.01772 Eigenvalues --- 0.02015 0.02190 0.02772 0.02957 0.02980 Eigenvalues --- 0.03216 0.04627 0.05073 0.05417 0.07487 Eigenvalues --- 0.07705 0.08320 0.10411 0.11324 0.13006 Eigenvalues --- 0.13579 0.14945 0.15992 0.15998 0.16005 Eigenvalues --- 0.16014 0.16490 0.17486 0.19534 0.21642 Eigenvalues --- 0.24788 0.24958 0.27425 0.28492 0.28847 Eigenvalues --- 0.30401 0.30744 0.32696 0.33162 0.33452 Eigenvalues --- 0.35617 0.35674 0.35788 0.35900 0.35942 Eigenvalues --- 0.36055 0.36444 0.52778 0.58106 0.58753 Eigenvalues --- 0.78993 En-DIIS/RFO-DIIS IScMMF= 0 using points: 10 9 8 7 6 RFO step: Lambda=-1.51168683D-08. DidBck=F Rises=F RFO-DIIS coefs: 1.59683 -0.68899 0.00378 0.10665 -0.01827 Iteration 1 RMS(Cart)= 0.00041891 RMS(Int)= 0.00000011 Iteration 2 RMS(Cart)= 0.00000007 RMS(Int)= 0.00000010 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.80603 0.00004 0.00009 -0.00001 0.00008 2.80611 R2 3.21257 0.00004 0.00020 0.00009 0.00029 3.21286 R3 3.68676 -0.00003 -0.00016 -0.00016 -0.00033 3.68644 R4 2.78591 -0.00002 -0.00012 -0.00007 -0.00019 2.78572 R5 2.85292 0.00001 -0.00001 0.00005 0.00004 2.85296 R6 2.53126 0.00000 0.00001 -0.00001 0.00000 2.53127 R7 2.05074 0.00000 0.00000 0.00000 0.00000 2.05074 R8 2.86991 0.00001 0.00007 -0.00001 0.00006 2.86996 R9 2.06083 0.00000 0.00001 0.00001 0.00002 2.06084 R10 2.80162 -0.00001 -0.00009 0.00004 -0.00006 2.80156 R11 2.52822 0.00000 0.00001 0.00000 0.00001 2.52823 R12 2.85359 0.00002 0.00005 0.00000 0.00005 2.85364 R13 2.53084 0.00000 0.00000 0.00001 0.00001 2.53084 R14 2.82437 0.00000 -0.00002 0.00003 0.00001 2.82438 R15 2.06140 0.00000 0.00002 0.00000 0.00001 2.06141 R16 2.05212 0.00000 -0.00001 0.00000 0.00000 2.05212 R17 2.05256 0.00000 0.00000 0.00000 0.00000 2.05256 R18 2.05249 0.00000 -0.00001 0.00001 0.00000 2.05249 R19 2.05133 0.00000 -0.00001 0.00001 0.00000 2.05133 R20 2.05192 0.00000 0.00000 0.00000 -0.00001 2.05192 A1 1.92326 0.00000 0.00000 -0.00005 -0.00005 1.92320 A2 1.84170 -0.00001 0.00001 0.00000 0.00001 1.84171 A3 1.62669 0.00000 0.00003 0.00000 0.00003 1.62672 A4 2.06263 -0.00001 -0.00008 0.00001 -0.00007 2.06256 A5 1.99027 0.00000 0.00001 0.00000 0.00001 1.99027 A6 2.11925 0.00000 0.00004 -0.00001 0.00003 2.11928 A7 2.17334 0.00000 -0.00004 0.00001 -0.00004 2.17330 A8 1.89173 0.00000 0.00007 0.00000 0.00007 1.89180 A9 1.91918 0.00001 0.00008 0.00002 0.00010 1.91928 A10 1.81860 0.00000 0.00001 0.00005 0.00006 1.81866 A11 1.89337 -0.00001 -0.00009 -0.00007 -0.00015 1.89322 A12 1.98377 0.00000 -0.00001 0.00001 -0.00001 1.98376 A13 1.95493 0.00000 -0.00004 -0.00001 -0.00005 1.95488 A14 1.93743 0.00001 -0.00001 0.00001 0.00000 1.93744 A15 2.12817 0.00000 0.00004 -0.00004 0.00000 2.12817 A16 2.21732 0.00000 -0.00003 0.00002 -0.00001 2.21731 A17 1.94960 0.00000 -0.00001 -0.00001 -0.00002 1.94958 A18 2.20298 0.00000 0.00000 0.00004 0.00003 2.20301 A19 2.12717 0.00000 0.00000 -0.00003 -0.00003 2.12714 A20 1.79636 0.00001 0.00006 -0.00001 0.00005 1.79641 A21 1.87272 0.00000 -0.00008 0.00005 -0.00003 1.87269 A22 1.83834 0.00000 -0.00007 0.00002 -0.00005 1.83829 A23 1.95273 0.00000 0.00005 -0.00002 0.00002 1.95275 A24 1.97299 0.00000 -0.00002 -0.00002 -0.00004 1.97295 A25 2.01033 0.00000 0.00004 0.00000 0.00004 2.01037 A26 2.00966 0.00000 -0.00002 0.00001 -0.00001 2.00965 A27 2.16540 -0.00001 -0.00003 -0.00001 -0.00004 2.16536 A28 2.10781 0.00000 0.00005 0.00000 0.00005 2.10786 A29 2.13241 0.00000 -0.00004 0.00000 -0.00004 2.13237 A30 2.11672 0.00001 0.00000 0.00005 0.00005 2.11676 A31 2.03406 -0.00001 0.00005 -0.00005 0.00000 2.03406 A32 2.11828 0.00000 -0.00003 0.00005 0.00002 2.11831 A33 2.12977 0.00000 -0.00002 0.00001 -0.00001 2.12976 A34 2.03509 -0.00001 0.00005 -0.00006 -0.00001 2.03508 D1 -1.81373 0.00001 -0.00035 0.00002 -0.00033 -1.81406 D2 0.06821 0.00000 -0.00032 0.00001 -0.00032 0.06790 D3 0.83576 0.00000 0.00020 -0.00006 0.00014 0.83590 D4 2.89809 0.00000 0.00025 -0.00007 0.00018 2.89827 D5 -1.23493 0.00000 0.00023 -0.00005 0.00018 -1.23475 D6 -1.11876 0.00000 0.00020 -0.00001 0.00018 -1.11858 D7 0.94358 0.00000 0.00025 -0.00002 0.00022 0.94380 D8 3.09373 0.00000 0.00022 0.00000 0.00023 3.09396 D9 -1.06107 0.00000 0.00026 0.00002 0.00028 -1.06080 D10 1.00599 -0.00001 0.00024 -0.00004 0.00019 1.00619 D11 3.10405 0.00000 0.00023 -0.00002 0.00022 3.10426 D12 1.10757 0.00000 0.00007 -0.00003 0.00004 1.10761 D13 -0.97580 0.00000 -0.00001 -0.00002 -0.00003 -0.97583 D14 3.12048 0.00000 0.00012 0.00004 0.00016 3.12064 D15 -2.00768 0.00000 0.00000 -0.00001 -0.00001 -2.00769 D16 2.19214 0.00000 -0.00008 0.00000 -0.00008 2.19205 D17 0.00523 0.00000 0.00004 0.00006 0.00011 0.00534 D18 0.03679 0.00000 -0.00007 -0.00003 -0.00010 0.03669 D19 -3.07788 0.00000 -0.00010 -0.00001 -0.00011 -3.07799 D20 -3.13209 0.00000 0.00001 -0.00005 -0.00004 -3.13213 D21 0.03643 0.00000 -0.00002 -0.00003 -0.00005 0.03638 D22 -1.07968 0.00000 0.00018 0.00012 0.00030 -1.07938 D23 2.08500 0.00000 0.00024 0.00024 0.00047 2.08548 D24 0.98638 0.00000 0.00025 0.00010 0.00036 0.98674 D25 -2.13212 0.00000 0.00031 0.00022 0.00053 -2.13160 D26 -3.09305 0.00000 0.00014 0.00006 0.00020 -3.09286 D27 0.07163 0.00000 0.00020 0.00017 0.00037 0.07200 D28 -0.10937 0.00000 -0.00034 -0.00012 -0.00046 -0.10983 D29 2.94403 0.00000 -0.00046 -0.00020 -0.00066 2.94337 D30 3.00767 0.00000 -0.00040 -0.00024 -0.00064 3.00703 D31 -0.22212 0.00000 -0.00051 -0.00033 -0.00084 -0.22296 D32 3.09063 0.00000 -0.00005 -0.00021 -0.00026 3.09036 D33 -0.05098 0.00000 -0.00011 -0.00015 -0.00026 -0.05124 D34 -0.02396 0.00000 0.00002 -0.00008 -0.00006 -0.02402 D35 3.11762 0.00000 -0.00004 -0.00002 -0.00006 3.11756 D36 1.19383 0.00000 0.00019 0.00009 0.00028 1.19411 D37 -0.81146 0.00000 0.00022 0.00005 0.00027 -0.81118 D38 -3.11535 0.00000 0.00013 0.00010 0.00023 -3.11512 D39 -1.86399 0.00000 0.00030 0.00017 0.00047 -1.86352 D40 2.41391 0.00000 0.00033 0.00013 0.00046 2.41437 D41 0.11002 0.00000 0.00024 0.00018 0.00042 0.11044 D42 -3.10055 0.00000 -0.00005 0.00001 -0.00003 -3.10059 D43 0.03094 0.00000 -0.00002 -0.00001 -0.00003 0.03091 D44 -0.05548 0.00000 -0.00017 -0.00008 -0.00026 -0.05574 D45 3.07601 0.00000 -0.00014 -0.00010 -0.00025 3.07577 D46 -1.07564 0.00000 -0.00004 0.00003 -0.00002 -1.07565 D47 2.04000 0.00000 -0.00002 0.00001 -0.00001 2.03999 D48 0.88229 0.00000 0.00001 0.00003 0.00004 0.88233 D49 -2.28526 0.00000 0.00003 0.00001 0.00005 -2.28521 D50 -3.11591 0.00000 0.00007 -0.00002 0.00005 -3.11587 D51 -0.00028 0.00000 0.00009 -0.00004 0.00005 -0.00023 Item Value Threshold Converged? Maximum Force 0.000039 0.000450 YES RMS Force 0.000008 0.000300 YES Maximum Displacement 0.001459 0.001800 YES RMS Displacement 0.000419 0.001200 YES Predicted change in Energy=-2.208727D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4849 -DE/DX = 0.0 ! ! R2 R(1,3) 1.7 -DE/DX = 0.0 ! ! R3 R(1,8) 1.951 -DE/DX = 0.0 ! ! R4 R(3,5) 1.4742 -DE/DX = 0.0 ! ! R5 R(4,5) 1.5097 -DE/DX = 0.0 ! ! R6 R(4,9) 1.3395 -DE/DX = 0.0 ! ! R7 R(4,10) 1.0852 -DE/DX = 0.0 ! ! R8 R(5,6) 1.5187 -DE/DX = 0.0 ! ! R9 R(5,11) 1.0905 -DE/DX = 0.0 ! ! R10 R(6,7) 1.4826 -DE/DX = 0.0 ! ! R11 R(6,14) 1.3379 -DE/DX = 0.0 ! ! R12 R(7,8) 1.5101 -DE/DX = 0.0 ! ! R13 R(7,17) 1.3393 -DE/DX = 0.0 ! ! R14 R(8,9) 1.4946 -DE/DX = 0.0 ! ! R15 R(8,12) 1.0908 -DE/DX = 0.0 ! ! R16 R(9,13) 1.0859 -DE/DX = 0.0 ! ! R17 R(14,15) 1.0862 -DE/DX = 0.0 ! ! R18 R(14,16) 1.0861 -DE/DX = 0.0 ! ! R19 R(17,18) 1.0855 -DE/DX = 0.0 ! ! R20 R(17,19) 1.0858 -DE/DX = 0.0 ! ! A1 A(2,1,3) 110.1945 -DE/DX = 0.0 ! ! A2 A(2,1,8) 105.5215 -DE/DX = 0.0 ! ! A3 A(3,1,8) 93.2025 -DE/DX = 0.0 ! ! A4 A(1,3,5) 118.1803 -DE/DX = 0.0 ! ! A5 A(5,4,9) 114.0339 -DE/DX = 0.0 ! ! A6 A(5,4,10) 121.4241 -DE/DX = 0.0 ! ! A7 A(9,4,10) 124.5232 -DE/DX = 0.0 ! ! A8 A(3,5,4) 108.3882 -DE/DX = 0.0 ! ! A9 A(3,5,6) 109.9607 -DE/DX = 0.0 ! ! A10 A(3,5,11) 104.198 -DE/DX = 0.0 ! ! A11 A(4,5,6) 108.482 -DE/DX = 0.0 ! ! A12 A(4,5,11) 113.6616 -DE/DX = 0.0 ! ! A13 A(6,5,11) 112.0095 -DE/DX = 0.0 ! ! A14 A(5,6,7) 111.0067 -DE/DX = 0.0 ! ! A15 A(5,6,14) 121.9351 -DE/DX = 0.0 ! ! A16 A(7,6,14) 127.0431 -DE/DX = 0.0 ! ! A17 A(6,7,8) 111.7041 -DE/DX = 0.0 ! ! A18 A(6,7,17) 126.2214 -DE/DX = 0.0 ! ! A19 A(8,7,17) 121.8778 -DE/DX = 0.0 ! ! A20 A(1,8,7) 102.9238 -DE/DX = 0.0 ! ! A21 A(1,8,9) 107.2992 -DE/DX = 0.0 ! ! A22 A(1,8,12) 105.3294 -DE/DX = 0.0 ! ! A23 A(7,8,9) 111.883 -DE/DX = 0.0 ! ! A24 A(7,8,12) 113.0442 -DE/DX = 0.0 ! ! A25 A(9,8,12) 115.1831 -DE/DX = 0.0 ! ! A26 A(4,9,8) 115.1451 -DE/DX = 0.0 ! ! A27 A(4,9,13) 124.0682 -DE/DX = 0.0 ! ! A28 A(8,9,13) 120.7686 -DE/DX = 0.0 ! ! A29 A(6,14,15) 122.1779 -DE/DX = 0.0 ! ! A30 A(6,14,16) 121.2791 -DE/DX = 0.0 ! ! A31 A(15,14,16) 116.543 -DE/DX = 0.0 ! ! A32 A(7,17,18) 121.3688 -DE/DX = 0.0 ! ! A33 A(7,17,19) 122.027 -DE/DX = 0.0 ! ! A34 A(18,17,19) 116.6018 -DE/DX = 0.0 ! ! D1 D(2,1,3,5) -103.9194 -DE/DX = 0.0 ! ! D2 D(8,1,3,5) 3.9082 -DE/DX = 0.0 ! ! D3 D(2,1,8,7) 47.8853 -DE/DX = 0.0 ! ! D4 D(2,1,8,9) 166.0485 -DE/DX = 0.0 ! ! D5 D(2,1,8,12) -70.7565 -DE/DX = 0.0 ! ! D6 D(3,1,8,7) -64.1003 -DE/DX = 0.0 ! ! D7 D(3,1,8,9) 54.0629 -DE/DX = 0.0 ! ! D8 D(3,1,8,12) 177.2579 -DE/DX = 0.0 ! ! D9 D(1,3,5,4) -60.7951 -DE/DX = 0.0 ! ! D10 D(1,3,5,6) 57.6392 -DE/DX = 0.0 ! ! D11 D(1,3,5,11) 177.8487 -DE/DX = 0.0 ! ! D12 D(9,4,5,3) 63.4591 -DE/DX = 0.0 ! ! D13 D(9,4,5,6) -55.9091 -DE/DX = 0.0 ! ! D14 D(9,4,5,11) 178.7905 -DE/DX = 0.0 ! ! D15 D(10,4,5,3) -115.0317 -DE/DX = 0.0 ! ! D16 D(10,4,5,6) 125.6001 -DE/DX = 0.0 ! ! D17 D(10,4,5,11) 0.2996 -DE/DX = 0.0 ! ! D18 D(5,4,9,8) 2.1077 -DE/DX = 0.0 ! ! D19 D(5,4,9,13) -176.3496 -DE/DX = 0.0 ! ! D20 D(10,4,9,8) -179.4554 -DE/DX = 0.0 ! ! D21 D(10,4,9,13) 2.0873 -DE/DX = 0.0 ! ! D22 D(3,5,6,7) -61.8611 -DE/DX = 0.0 ! ! D23 D(3,5,6,14) 119.4619 -DE/DX = 0.0 ! ! D24 D(4,5,6,7) 56.5153 -DE/DX = 0.0 ! ! D25 D(4,5,6,14) -122.1616 -DE/DX = 0.0 ! ! D26 D(11,5,6,7) -177.219 -DE/DX = 0.0 ! ! D27 D(11,5,6,14) 4.1041 -DE/DX = 0.0 ! ! D28 D(5,6,7,8) -6.2665 -DE/DX = 0.0 ! ! D29 D(5,6,7,17) 168.6804 -DE/DX = 0.0 ! ! D30 D(14,6,7,8) 172.3268 -DE/DX = 0.0 ! ! D31 D(14,6,7,17) -12.7263 -DE/DX = 0.0 ! ! D32 D(5,6,14,15) 177.0799 -DE/DX = 0.0 ! ! D33 D(5,6,14,16) -2.9211 -DE/DX = 0.0 ! ! D34 D(7,6,14,15) -1.3727 -DE/DX = 0.0 ! ! D35 D(7,6,14,16) 178.6263 -DE/DX = 0.0 ! ! D36 D(6,7,8,1) 68.4012 -DE/DX = 0.0 ! ! D37 D(6,7,8,9) -46.4931 -DE/DX = 0.0 ! ! D38 D(6,7,8,12) -178.4965 -DE/DX = 0.0 ! ! D39 D(17,7,8,1) -106.7987 -DE/DX = 0.0 ! ! D40 D(17,7,8,9) 138.3069 -DE/DX = 0.0 ! ! D41 D(17,7,8,12) 6.3035 -DE/DX = 0.0 ! ! D42 D(6,7,17,18) -177.6485 -DE/DX = 0.0 ! ! D43 D(6,7,17,19) 1.7727 -DE/DX = 0.0 ! ! D44 D(8,7,17,18) -3.1788 -DE/DX = 0.0 ! ! D45 D(8,7,17,19) 176.2425 -DE/DX = 0.0 ! ! D46 D(1,8,9,4) -61.6295 -DE/DX = 0.0 ! ! D47 D(1,8,9,13) 116.8832 -DE/DX = 0.0 ! ! D48 D(7,8,9,4) 50.5516 -DE/DX = 0.0 ! ! D49 D(7,8,9,13) -130.9357 -DE/DX = 0.0 ! ! D50 D(12,8,9,4) -178.5287 -DE/DX = 0.0 ! ! D51 D(12,8,9,13) -0.0159 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.667791 0.145165 -0.193847 2 8 0 1.688256 1.542277 -0.696393 3 8 0 0.695517 -0.824748 -1.195851 4 6 0 -0.489935 -1.988798 0.563823 5 6 0 -0.646303 -1.198689 -0.713075 6 6 0 -1.455093 0.050540 -0.410252 7 6 0 -0.816886 0.849645 0.663098 8 6 0 0.369573 0.133130 1.262414 9 6 0 0.059937 -1.296322 1.569976 10 1 0 -0.782490 -3.032149 0.622999 11 1 0 -1.075204 -1.774192 -1.534124 12 1 0 0.840380 0.690892 2.073083 13 1 0 0.299199 -1.720128 2.540749 14 6 0 -2.601225 0.322578 -1.044521 15 1 0 -3.206435 1.190398 -0.798807 16 1 0 -2.973583 -0.320235 -1.836875 17 6 0 -1.144839 2.097502 1.022152 18 1 0 -0.597965 2.624513 1.797741 19 1 0 -1.960576 2.636903 0.550296 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.484888 0.000000 3 O 1.700018 2.614918 0.000000 4 C 3.127882 4.336029 2.420075 0.000000 5 C 2.725908 3.600463 1.474241 1.509700 0.000000 6 C 3.131803 3.491103 2.451208 2.457489 1.518689 7 C 2.721078 2.933205 2.923465 2.858935 2.473585 8 C 1.950951 2.749827 2.658353 2.393609 2.590039 9 C 2.788217 3.980640 2.876829 1.339487 2.391784 10 H 4.094685 5.363838 3.219525 1.085206 2.272712 11 H 3.606147 4.397439 2.037480 2.188602 1.090542 12 H 2.474146 3.018899 3.606117 3.350871 3.680138 13 H 3.581952 4.801235 3.862766 2.145496 3.428301 14 C 4.356560 4.473086 3.493961 3.519485 2.499165 15 H 5.021610 4.908391 4.409500 4.398116 3.502765 16 H 4.945553 5.148048 3.758689 3.836139 2.729623 17 C 3.633340 3.359777 4.104388 4.163750 3.758248 18 H 3.904771 3.552287 4.746798 4.776699 4.574210 19 H 4.464029 4.008293 4.699669 4.853873 4.246785 6 7 8 9 10 6 C 0.000000 7 C 1.482551 0.000000 8 C 2.476700 1.510053 0.000000 9 C 2.833841 2.489261 1.494591 0.000000 10 H 3.320087 3.882154 3.428570 2.149313 0.000000 11 H 2.176476 3.432059 3.680473 3.339512 2.514223 12 H 3.441831 2.181694 1.090844 2.193451 4.312480 13 H 3.862799 3.372677 2.252478 1.085937 2.563049 14 C 1.337878 2.525396 3.766096 4.066720 4.164446 15 H 2.125429 2.821918 4.260784 4.739630 5.072174 16 H 2.116256 3.502831 4.581248 4.664935 4.266890 17 C 2.517558 1.339261 2.491973 3.642752 5.157901 18 H 3.497891 2.117899 2.725746 3.982167 5.780302 19 H 2.804896 2.124863 3.493650 4.537894 5.790624 11 12 13 14 15 11 H 0.000000 12 H 4.770539 0.000000 13 H 4.300756 2.514876 0.000000 14 C 2.639108 4.658299 5.043735 0.000000 15 H 3.724463 4.987381 5.649183 1.086171 0.000000 16 H 2.410289 5.554859 5.642198 1.086133 1.847652 17 C 4.639980 2.650302 4.354960 3.089102 2.896361 18 H 5.538743 2.425601 4.498096 4.170180 3.950045 19 H 4.958472 3.735130 5.296433 2.882702 2.337652 16 17 18 19 16 H 0.000000 17 C 4.166989 0.000000 18 H 5.246478 1.085518 0.000000 19 H 3.933120 1.085831 1.847426 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.709197 0.036380 -0.281423 2 8 0 1.764639 1.388567 -0.892494 3 8 0 0.671395 -0.969855 -1.176140 4 6 0 -0.499816 -1.947517 0.702478 5 6 0 -0.667330 -1.253150 -0.627555 6 6 0 -1.420312 0.046102 -0.400891 7 6 0 -0.720161 0.900608 0.587828 8 6 0 0.457689 0.187291 1.207592 9 6 0 0.106120 -1.201026 1.635117 10 1 0 -0.828083 -2.971065 0.851683 11 1 0 -1.142383 -1.873458 -1.388360 12 1 0 0.973629 0.787500 1.958256 13 1 0 0.360143 -1.557360 2.628977 14 6 0 -2.575124 0.312344 -1.021732 15 1 0 -3.140407 1.219327 -0.827816 16 1 0 -2.995246 -0.374986 -1.750264 17 6 0 -0.991147 2.184255 0.856970 18 1 0 -0.401444 2.748172 1.572928 19 1 0 -1.801141 2.716653 0.367591 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3568541 1.1149507 0.9405883 ********************************************************************** 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -89.02055 -19.17556 -19.13072 -10.26278 -10.23141 Alpha occ. eigenvalues -- -10.21480 -10.21316 -10.21260 -10.20801 -10.19529 Alpha occ. eigenvalues -- -10.19408 -8.06197 -6.02730 -6.02441 -6.01937 Alpha occ. eigenvalues -- -1.06297 -0.99943 -0.86781 -0.79700 -0.78737 Alpha occ. eigenvalues -- -0.72057 -0.67799 -0.63950 -0.61836 -0.56344 Alpha occ. eigenvalues -- -0.52662 -0.50801 -0.48794 -0.48372 -0.45502 Alpha occ. eigenvalues -- -0.44094 -0.42962 -0.42016 -0.41298 -0.39875 Alpha occ. eigenvalues -- -0.37990 -0.36170 -0.35405 -0.32507 -0.29649 Alpha occ. eigenvalues -- -0.29244 -0.27495 -0.24871 -0.22646 Alpha virt. eigenvalues -- -0.04540 -0.02665 0.00607 0.03943 0.07723 Alpha virt. eigenvalues -- 0.08725 0.09941 0.10802 0.11742 0.14015 Alpha virt. eigenvalues -- 0.15577 0.15893 0.17658 0.19314 0.19738 Alpha virt. eigenvalues -- 0.21346 0.25208 0.25856 0.30007 0.32287 Alpha virt. eigenvalues -- 0.33293 0.35193 0.36611 0.38936 0.40492 Alpha virt. eigenvalues -- 0.41497 0.42869 0.47559 0.49049 0.51815 Alpha virt. eigenvalues -- 0.53002 0.54000 0.55786 0.56891 0.58092 Alpha virt. eigenvalues -- 0.59231 0.62541 0.63135 0.63918 0.65845 Alpha virt. eigenvalues -- 0.66542 0.67939 0.68603 0.73649 0.75951 Alpha virt. eigenvalues -- 0.77836 0.80135 0.81522 0.81924 0.82654 Alpha virt. eigenvalues -- 0.83671 0.84863 0.85336 0.86763 0.89041 Alpha virt. eigenvalues -- 0.91260 0.93213 0.94936 0.95610 0.96985 Alpha virt. eigenvalues -- 0.98323 0.99813 1.02394 1.06489 1.08332 Alpha virt. eigenvalues -- 1.08909 1.11320 1.14346 1.15969 1.17624 Alpha virt. eigenvalues -- 1.19408 1.19703 1.23451 1.30654 1.32643 Alpha virt. eigenvalues -- 1.33771 1.40977 1.42356 1.45816 1.53515 Alpha virt. eigenvalues -- 1.55902 1.58705 1.62968 1.66206 1.69885 Alpha virt. eigenvalues -- 1.71060 1.73667 1.74773 1.75773 1.81438 Alpha virt. eigenvalues -- 1.83289 1.84237 1.85221 1.86526 1.89672 Alpha virt. eigenvalues -- 1.91417 1.93065 1.97135 1.98633 2.02153 Alpha virt. eigenvalues -- 2.03499 2.05121 2.09030 2.12165 2.15837 Alpha virt. eigenvalues -- 2.17264 2.17347 2.19934 2.22017 2.25082 Alpha virt. eigenvalues -- 2.30335 2.34407 2.36402 2.40108 2.41178 Alpha virt. eigenvalues -- 2.46920 2.48984 2.50068 2.55791 2.57525 Alpha virt. eigenvalues -- 2.65264 2.68619 2.73729 2.74882 2.79411 Alpha virt. eigenvalues -- 2.82940 2.88127 2.91919 3.06228 3.14016 Alpha virt. eigenvalues -- 3.74912 3.97880 4.07130 4.11988 4.15282 Alpha virt. eigenvalues -- 4.19824 4.28884 4.37297 4.44487 4.62725 Alpha virt. eigenvalues -- 4.84673 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -89.02055 -19.17556 -19.13072 -10.26278 -10.23141 1 1 S 1S 0.99612 0.00001 0.00002 0.00000 0.00000 2 2S 0.01485 0.00007 0.00000 -0.00008 -0.00005 3 2PX -0.00010 0.00004 -0.00001 -0.00008 0.00012 4 2PY 0.00003 0.00006 -0.00001 -0.00002 0.00000 5 2PZ -0.00002 0.00003 0.00000 0.00004 -0.00008 6 3S -0.02418 0.00005 0.00082 0.00004 -0.00030 7 3PX 0.00019 -0.00007 0.00003 0.00065 -0.00086 8 3PY 0.00003 -0.00017 0.00020 0.00019 0.00006 9 3PZ -0.00006 0.00005 -0.00003 -0.00028 0.00063 10 4S 0.00270 -0.00307 -0.00365 -0.00090 0.00482 11 4PX -0.00011 0.00141 0.00095 0.00042 -0.00223 12 4PY -0.00008 0.00020 -0.00158 0.00001 0.00044 13 4PZ 0.00009 0.00058 0.00058 0.00000 0.00070 14 5XX 0.00847 0.00030 -0.00009 -0.00039 0.00032 15 5YY 0.00854 0.00020 0.00001 -0.00024 0.00008 16 5ZZ 0.00850 0.00026 -0.00007 -0.00033 0.00024 17 5XY -0.00001 0.00008 -0.00002 -0.00007 0.00008 18 5XZ 0.00002 0.00008 -0.00001 0.00013 -0.00030 19 5YZ -0.00002 0.00015 -0.00008 -0.00003 -0.00002 20 2 O 1S 0.00003 -0.00005 0.99278 0.00000 0.00008 21 2S 0.00009 -0.00023 0.02576 -0.00004 0.00035 22 2PX 0.00000 0.00002 -0.00003 -0.00001 -0.00005 23 2PY 0.00009 0.00000 -0.00084 -0.00002 -0.00001 24 2PZ -0.00004 0.00002 0.00039 0.00000 -0.00003 25 3S -0.00001 0.00133 0.01206 0.00019 -0.00194 26 3PX 0.00001 -0.00024 -0.00025 -0.00006 0.00044 27 3PY -0.00017 -0.00037 -0.00054 0.00000 0.00037 28 3PZ 0.00006 0.00003 0.00024 0.00002 -0.00016 29 4XX 0.00011 -0.00013 -0.00801 0.00000 0.00020 30 4YY -0.00012 -0.00010 -0.00801 0.00001 0.00019 31 4ZZ 0.00006 -0.00014 -0.00802 0.00001 0.00024 32 4XY -0.00001 0.00001 0.00003 0.00001 -0.00007 33 4XZ 0.00000 -0.00004 -0.00001 -0.00001 -0.00005 34 4YZ 0.00012 -0.00002 0.00000 0.00000 -0.00001 35 3 O 1S 0.00000 0.99271 -0.00005 -0.00029 0.00013 36 2S 0.00005 0.02564 -0.00022 -0.00112 0.00061 37 2PX 0.00004 -0.00029 -0.00001 0.00004 0.00006 38 2PY 0.00001 0.00029 -0.00004 -0.00004 0.00006 39 2PZ 0.00000 0.00067 0.00001 -0.00006 -0.00004 40 3S 0.00009 0.01307 0.00120 0.00838 -0.00436 41 3PX 0.00002 -0.00007 0.00013 -0.00180 0.00060 42 3PY 0.00013 0.00032 0.00045 0.00030 -0.00057 43 3PZ 0.00016 0.00034 0.00009 0.00165 -0.00089 44 4XX 0.00000 -0.00832 -0.00013 -0.00103 0.00026 45 4YY -0.00003 -0.00821 -0.00012 -0.00068 0.00028 46 4ZZ -0.00001 -0.00826 -0.00013 -0.00057 0.00035 47 4XY -0.00004 0.00000 0.00002 -0.00016 0.00002 48 4XZ -0.00007 0.00005 0.00000 0.00007 0.00007 49 4YZ -0.00004 0.00001 0.00003 0.00010 0.00004 50 4 C 1S 0.00001 0.00002 0.00001 0.00220 0.00013 51 2S 0.00005 0.00016 0.00001 -0.00046 0.00017 52 2PX 0.00001 0.00000 0.00002 0.00004 -0.00004 53 2PY 0.00000 0.00004 0.00002 0.00014 -0.00014 54 2PZ 0.00000 -0.00004 0.00000 -0.00010 0.00010 55 3S -0.00012 -0.00060 0.00029 0.01265 -0.00665 56 3PX -0.00004 -0.00003 0.00008 0.00144 -0.00108 57 3PY -0.00003 -0.00045 0.00014 0.00626 -0.00398 58 3PZ 0.00006 0.00012 0.00006 -0.00335 0.00129 59 4XX 0.00001 0.00000 0.00003 -0.00013 0.00000 60 4YY 0.00001 0.00004 0.00001 0.00001 0.00001 61 4ZZ 0.00001 0.00001 0.00001 -0.00021 -0.00005 62 4XY -0.00002 -0.00002 0.00000 0.00019 -0.00003 63 4XZ 0.00001 0.00002 0.00000 -0.00003 0.00003 64 4YZ 0.00001 0.00005 0.00000 -0.00002 0.00008 65 5 C 1S 0.00000 0.00001 0.00000 0.99352 0.00008 66 2S 0.00002 0.00008 0.00002 0.05167 -0.00167 67 2PX -0.00004 0.00028 -0.00001 0.00089 -0.00020 68 2PY -0.00001 0.00005 -0.00002 0.00052 -0.00019 69 2PZ 0.00001 -0.00012 0.00000 0.00042 -0.00026 70 3S 0.00008 -0.00121 -0.00035 -0.03429 0.01181 71 3PX -0.00008 -0.00090 0.00003 -0.00284 0.00173 72 3PY -0.00007 -0.00005 -0.00024 -0.00626 0.00401 73 3PZ -0.00007 0.00074 -0.00005 -0.00692 0.00442 74 4XX -0.00005 0.00037 0.00001 -0.00837 -0.00031 75 4YY -0.00002 0.00008 -0.00003 -0.00838 -0.00029 76 4ZZ 0.00000 0.00014 -0.00001 -0.00829 -0.00028 77 4XY -0.00003 0.00003 -0.00001 0.00020 -0.00005 78 4XZ -0.00001 -0.00017 0.00000 0.00017 -0.00002 79 4YZ 0.00001 -0.00004 0.00001 0.00017 -0.00001 80 6 C 1S 0.00001 0.00001 -0.00002 0.00230 0.00006 81 2S 0.00006 0.00011 -0.00008 -0.00035 0.00015 82 2PX 0.00001 0.00001 -0.00004 -0.00004 -0.00001 83 2PY -0.00001 -0.00006 -0.00001 0.00007 0.00003 84 2PZ -0.00001 -0.00001 0.00001 0.00009 -0.00005 85 3S -0.00027 -0.00041 0.00041 0.00893 -0.00416 86 3PX -0.00015 -0.00015 0.00046 0.00741 -0.00413 87 3PY 0.00000 0.00023 -0.00013 -0.00705 0.00393 88 3PZ 0.00002 -0.00014 -0.00007 0.00045 -0.00027 89 4XX -0.00001 -0.00004 -0.00003 0.00009 -0.00010 90 4YY 0.00002 -0.00002 -0.00003 -0.00020 0.00001 91 4ZZ 0.00003 0.00004 -0.00005 -0.00013 0.00004 92 4XY 0.00000 0.00001 0.00001 -0.00005 0.00010 93 4XZ -0.00001 0.00001 -0.00001 0.00009 0.00004 94 4YZ -0.00001 0.00001 0.00001 -0.00001 0.00001 95 7 C 1S 0.00000 -0.00004 0.00000 -0.00004 0.00763 96 2S 0.00002 -0.00016 -0.00003 -0.00001 0.00022 97 2PX -0.00004 -0.00003 0.00004 0.00001 -0.00013 98 2PY 0.00002 0.00001 0.00006 0.00010 -0.00003 99 2PZ 0.00000 0.00001 -0.00002 0.00008 -0.00019 100 3S -0.00022 0.00075 -0.00042 -0.00476 0.00712 101 3PX -0.00014 0.00027 -0.00033 -0.00383 0.00539 102 3PY -0.00002 -0.00031 0.00004 0.00399 -0.00483 103 3PZ -0.00013 -0.00019 -0.00011 -0.00099 0.00225 104 4XX -0.00003 -0.00005 0.00002 -0.00004 -0.00026 105 4YY -0.00004 -0.00005 -0.00003 -0.00012 -0.00002 106 4ZZ -0.00001 -0.00005 0.00004 -0.00006 -0.00015 107 4XY 0.00001 -0.00002 0.00002 0.00007 0.00000 108 4XZ 0.00000 -0.00003 -0.00003 0.00004 -0.00011 109 4YZ 0.00000 0.00002 -0.00001 0.00005 0.00009 110 8 C 1S -0.00004 -0.00002 -0.00004 -0.00075 0.99326 111 2S -0.00013 -0.00010 -0.00025 -0.00167 0.05152 112 2PX 0.00008 0.00004 0.00000 -0.00001 0.00001 113 2PY 0.00000 -0.00001 0.00000 0.00023 -0.00037 114 2PZ -0.00005 -0.00002 0.00002 0.00045 -0.00067 115 3S 0.00076 0.00036 0.00170 0.01159 -0.02878 116 3PX -0.00015 0.00036 0.00005 -0.00418 0.00444 117 3PY -0.00009 0.00012 0.00001 -0.00311 0.00272 118 3PZ -0.00015 -0.00034 -0.00078 -0.00424 0.00468 119 4XX -0.00003 -0.00002 -0.00004 -0.00038 -0.00871 120 4YY -0.00004 -0.00005 -0.00004 -0.00024 -0.00862 121 4ZZ -0.00002 0.00000 -0.00001 -0.00042 -0.00853 122 4XY -0.00001 -0.00001 0.00000 0.00003 0.00008 123 4XZ -0.00003 -0.00004 -0.00003 0.00017 0.00003 124 4YZ -0.00001 0.00000 0.00000 0.00000 0.00014 125 9 C 1S 0.00001 -0.00002 0.00002 0.00006 0.00748 126 2S 0.00005 -0.00009 0.00008 0.00013 0.00001 127 2PX 0.00000 0.00000 0.00002 0.00001 -0.00002 128 2PY -0.00003 -0.00002 -0.00001 -0.00003 -0.00008 129 2PZ 0.00002 -0.00001 -0.00002 0.00013 -0.00006 130 3S -0.00037 0.00071 -0.00061 -0.00783 0.00994 131 3PX -0.00008 -0.00003 -0.00001 0.00097 -0.00047 132 3PY -0.00011 0.00021 -0.00009 -0.00220 0.00359 133 3PZ 0.00007 -0.00032 0.00048 0.00432 -0.00417 134 4XX -0.00001 -0.00004 0.00004 0.00002 -0.00024 135 4YY -0.00001 -0.00002 0.00003 -0.00006 -0.00038 136 4ZZ -0.00001 0.00001 0.00002 0.00007 -0.00006 137 4XY -0.00001 0.00000 -0.00002 0.00002 -0.00009 138 4XZ 0.00000 -0.00002 0.00000 0.00001 0.00004 139 4YZ 0.00002 -0.00001 0.00002 0.00002 0.00003 140 10 H 1S 0.00001 -0.00003 0.00000 0.00000 -0.00013 141 2S -0.00001 -0.00012 0.00002 0.00154 -0.00094 142 11 H 1S -0.00002 0.00012 0.00000 -0.00014 0.00004 143 2S -0.00005 0.00010 -0.00002 0.00073 0.00146 144 12 H 1S -0.00002 -0.00001 -0.00006 0.00010 -0.00012 145 2S -0.00012 -0.00008 0.00020 0.00178 0.00096 146 13 H 1S 0.00002 0.00000 -0.00001 -0.00018 0.00000 147 2S 0.00001 0.00008 -0.00014 -0.00104 0.00109 148 14 C 1S 0.00000 0.00000 0.00000 -0.00004 -0.00005 149 2S 0.00000 -0.00001 0.00000 -0.00016 -0.00011 150 2PX 0.00000 -0.00002 0.00001 -0.00001 -0.00006 151 2PY 0.00000 0.00001 0.00000 0.00006 -0.00001 152 2PZ 0.00000 0.00002 0.00001 0.00000 -0.00002 153 3S 0.00000 -0.00001 0.00014 0.00372 -0.00160 154 3PX 0.00001 0.00003 0.00001 0.00105 -0.00024 155 3PY 0.00000 -0.00012 -0.00002 0.00116 -0.00079 156 3PZ -0.00004 -0.00006 0.00008 0.00164 -0.00079 157 4XX 0.00001 -0.00001 0.00000 -0.00008 0.00001 158 4YY 0.00000 -0.00002 0.00000 -0.00002 -0.00003 159 4ZZ 0.00000 0.00000 0.00001 0.00000 -0.00007 160 4XY 0.00000 -0.00001 0.00000 0.00006 -0.00006 161 4XZ 0.00000 0.00001 0.00001 0.00008 0.00001 162 4YZ 0.00000 0.00000 -0.00001 0.00008 -0.00001 163 15 H 1S 0.00000 0.00001 0.00000 -0.00017 0.00007 164 2S -0.00001 0.00007 -0.00001 -0.00053 0.00043 165 16 H 1S 0.00000 -0.00002 0.00000 0.00003 -0.00005 166 2S -0.00002 -0.00006 0.00001 0.00058 -0.00038 167 17 C 1S 0.00001 0.00000 0.00001 -0.00005 0.00004 168 2S 0.00001 0.00001 0.00000 -0.00016 -0.00011 169 2PX 0.00002 -0.00001 0.00004 0.00001 -0.00005 170 2PY -0.00002 0.00000 -0.00002 0.00006 0.00004 171 2PZ -0.00001 0.00000 -0.00003 0.00000 -0.00005 172 3S -0.00003 0.00006 -0.00002 -0.00128 0.00208 173 3PX -0.00001 -0.00004 0.00004 0.00077 -0.00088 174 3PY -0.00001 -0.00001 0.00000 0.00025 -0.00086 175 3PZ 0.00005 0.00004 0.00007 0.00062 -0.00092 176 4XX 0.00002 -0.00001 0.00004 -0.00003 -0.00002 177 4YY 0.00003 0.00000 0.00003 0.00001 -0.00001 178 4ZZ 0.00002 -0.00001 0.00003 -0.00008 0.00001 179 4XY 0.00000 0.00001 -0.00001 -0.00008 0.00006 180 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00008 181 4YZ -0.00001 -0.00001 0.00000 0.00002 0.00006 182 18 H 1S 0.00000 0.00000 0.00000 -0.00005 0.00003 183 2S 0.00001 0.00001 -0.00003 -0.00033 0.00043 184 19 H 1S 0.00000 0.00001 0.00000 0.00005 -0.00011 185 2S 0.00002 -0.00002 0.00003 0.00046 -0.00035 6 7 8 9 10 O O O O O Eigenvalues -- -10.21480 -10.21316 -10.21260 -10.20801 -10.19529 1 1 S 1S -0.00001 -0.00001 -0.00001 0.00000 0.00000 2 2S -0.00019 -0.00011 -0.00006 -0.00002 -0.00001 3 2PX 0.00001 -0.00001 -0.00003 -0.00001 0.00000 4 2PY 0.00000 0.00000 -0.00001 -0.00003 0.00000 5 2PZ 0.00003 0.00002 0.00000 0.00000 0.00001 6 3S -0.00080 -0.00043 -0.00026 -0.00009 -0.00001 7 3PX 0.00004 0.00009 0.00020 0.00009 0.00004 8 3PY -0.00003 0.00004 0.00012 0.00016 0.00001 9 3PZ -0.00019 -0.00019 -0.00001 0.00004 -0.00005 10 4S 0.00394 0.00158 0.00146 0.00016 -0.00001 11 4PX -0.00191 -0.00095 -0.00069 -0.00016 0.00001 12 4PY 0.00076 -0.00069 0.00025 -0.00021 0.00001 13 4PZ -0.00001 0.00055 -0.00014 -0.00001 0.00000 14 5XX -0.00001 -0.00014 -0.00014 -0.00004 -0.00002 15 5YY -0.00014 -0.00014 0.00000 -0.00009 -0.00003 16 5ZZ -0.00022 -0.00012 -0.00006 0.00000 -0.00003 17 5XY 0.00000 0.00011 0.00002 -0.00004 -0.00001 18 5XZ -0.00002 -0.00005 -0.00001 -0.00001 0.00003 19 5YZ 0.00001 0.00000 -0.00003 0.00003 0.00000 20 2 O 1S 0.00005 -0.00002 0.00006 -0.00001 0.00000 21 2S 0.00027 -0.00009 0.00026 -0.00003 0.00000 22 2PX 0.00008 -0.00005 -0.00003 -0.00001 0.00000 23 2PY -0.00003 0.00000 -0.00004 0.00000 0.00000 24 2PZ -0.00004 0.00000 0.00001 0.00000 0.00000 25 3S -0.00172 0.00040 -0.00125 0.00014 0.00001 26 3PX -0.00001 0.00020 0.00019 0.00004 -0.00001 27 3PY 0.00042 -0.00002 0.00032 -0.00002 0.00000 28 3PZ -0.00005 0.00003 -0.00013 0.00003 0.00000 29 4XX 0.00018 -0.00008 0.00018 -0.00002 0.00000 30 4YY 0.00011 -0.00007 0.00015 -0.00002 0.00000 31 4ZZ 0.00008 -0.00006 0.00019 -0.00002 0.00000 32 4XY -0.00005 -0.00002 -0.00002 0.00000 0.00000 33 4XZ -0.00006 -0.00001 0.00001 0.00000 0.00000 34 4YZ -0.00004 -0.00002 0.00002 -0.00001 0.00000 35 3 O 1S 0.00009 0.00002 -0.00005 -0.00008 0.00000 36 2S 0.00037 0.00008 -0.00026 -0.00039 0.00001 37 2PX 0.00004 0.00003 0.00011 0.00004 -0.00002 38 2PY 0.00007 0.00001 -0.00006 0.00005 0.00001 39 2PZ -0.00001 -0.00002 -0.00003 -0.00011 0.00000 40 3S -0.00200 -0.00042 0.00097 0.00145 0.00006 41 3PX -0.00025 -0.00039 -0.00071 -0.00037 0.00003 42 3PY -0.00068 -0.00010 0.00013 -0.00016 -0.00004 43 3PZ -0.00019 -0.00006 0.00030 0.00061 0.00009 44 4XX 0.00027 0.00009 -0.00006 -0.00025 0.00001 45 4YY 0.00020 0.00002 -0.00016 -0.00033 0.00002 46 4ZZ 0.00025 0.00006 -0.00023 -0.00012 0.00004 47 4XY -0.00001 0.00001 -0.00011 0.00005 0.00001 48 4XZ -0.00003 -0.00005 -0.00011 -0.00007 -0.00002 49 4YZ -0.00003 -0.00001 0.00006 -0.00011 0.00000 50 4 C 1S -0.00025 0.08132 -0.00119 0.98949 -0.00001 51 2S 0.00004 0.00345 -0.00066 0.04967 0.00001 52 2PX 0.00003 -0.00014 0.00006 0.00006 0.00001 53 2PY -0.00003 -0.00020 -0.00013 0.00043 0.00002 54 2PZ -0.00004 -0.00021 0.00002 -0.00022 -0.00001 55 3S -0.00109 0.00571 0.00391 -0.01633 0.00039 56 3PX -0.00021 0.00144 0.00022 -0.00123 0.00016 57 3PY -0.00083 0.00272 0.00273 -0.00315 0.00024 58 3PZ 0.00002 0.00117 -0.00081 -0.00017 -0.00005 59 4XX 0.00001 -0.00095 -0.00025 -0.00932 0.00001 60 4YY -0.00002 -0.00094 0.00001 -0.00908 0.00002 61 4ZZ 0.00003 -0.00105 -0.00011 -0.00917 0.00003 62 4XY -0.00001 -0.00001 -0.00007 0.00021 0.00002 63 4XZ 0.00002 -0.00006 0.00006 0.00012 -0.00001 64 4YZ 0.00000 -0.00003 -0.00008 0.00005 -0.00001 65 5 C 1S -0.00017 -0.00020 -0.00240 -0.00234 0.00006 66 2S -0.00025 0.00005 0.00038 0.00026 -0.00008 67 2PX 0.00005 0.00000 0.00003 0.00000 0.00009 68 2PY -0.00008 0.00012 0.00001 -0.00001 0.00000 69 2PZ 0.00002 -0.00004 0.00004 0.00003 0.00005 70 3S 0.00139 -0.00130 -0.00090 0.00014 -0.00024 71 3PX -0.00056 -0.00043 -0.00135 0.00030 -0.00038 72 3PY 0.00054 -0.00040 0.00031 -0.00199 -0.00015 73 3PZ 0.00000 -0.00032 -0.00148 0.00060 -0.00043 74 4XX -0.00003 0.00000 -0.00012 -0.00006 0.00002 75 4YY 0.00001 0.00005 -0.00024 -0.00016 0.00004 76 4ZZ -0.00003 0.00010 -0.00004 -0.00023 -0.00003 77 4XY -0.00001 0.00003 0.00021 0.00005 -0.00005 78 4XZ 0.00006 0.00008 0.00005 0.00002 0.00003 79 4YZ 0.00003 0.00003 -0.00002 0.00018 0.00003 80 6 C 1S 0.06663 -0.00078 0.99033 0.00104 -0.02461 81 2S 0.00309 -0.00010 0.04962 -0.00050 -0.00175 82 2PX -0.00009 0.00004 0.00026 -0.00001 0.00037 83 2PY -0.00016 -0.00003 -0.00018 0.00021 -0.00008 84 2PZ -0.00022 -0.00007 0.00017 -0.00006 0.00020 85 3S 0.00384 0.00043 -0.01706 0.00304 0.00532 86 3PX 0.00168 -0.00043 -0.00071 0.00150 -0.00125 87 3PY 0.00259 0.00029 -0.00126 -0.00240 0.00049 88 3PZ 0.00277 -0.00029 -0.00156 0.00070 -0.00052 89 4XX -0.00089 -0.00001 -0.00876 -0.00019 -0.00007 90 4YY -0.00089 0.00006 -0.00919 -0.00007 -0.00002 91 4ZZ -0.00097 -0.00003 -0.00914 -0.00014 0.00001 92 4XY -0.00007 -0.00001 -0.00014 -0.00011 0.00006 93 4XZ -0.00015 0.00000 0.00031 0.00007 -0.00010 94 4YZ -0.00015 0.00002 -0.00002 -0.00006 -0.00004 95 7 C 1S 0.99044 0.00259 -0.06692 -0.00002 0.00029 96 2S 0.04978 -0.00014 -0.00361 0.00005 0.00001 97 2PX 0.00034 -0.00003 0.00014 0.00006 0.00006 98 2PY -0.00030 0.00017 0.00019 0.00000 -0.00003 99 2PZ -0.00013 -0.00015 0.00021 0.00005 0.00002 100 3S -0.01829 0.00046 0.00594 -0.00073 -0.00107 101 3PX 0.00023 0.00081 -0.00186 -0.00051 -0.00034 102 3PY 0.00133 -0.00187 -0.00221 0.00115 0.00077 103 3PZ 0.00174 0.00072 -0.00245 -0.00018 0.00014 104 4XX -0.00914 -0.00010 0.00037 0.00003 0.00001 105 4YY -0.00869 -0.00005 0.00024 -0.00003 0.00002 106 4ZZ -0.00917 -0.00014 0.00028 0.00005 0.00002 107 4XY -0.00014 -0.00001 -0.00008 -0.00001 0.00003 108 4XZ 0.00000 0.00007 -0.00011 0.00003 0.00003 109 4YZ 0.00013 -0.00007 -0.00020 0.00000 0.00004 110 8 C 1S -0.00767 -0.00767 0.00047 0.00052 -0.00001 111 2S 0.00000 -0.00027 -0.00014 -0.00013 -0.00015 112 2PX 0.00014 0.00008 0.00003 -0.00002 -0.00003 113 2PY 0.00000 0.00007 -0.00007 0.00007 0.00002 114 2PZ -0.00006 -0.00004 0.00002 -0.00007 0.00002 115 3S 0.00069 0.00222 0.00060 -0.00046 0.00118 116 3PX -0.00127 -0.00014 -0.00041 -0.00023 -0.00050 117 3PY 0.00096 -0.00179 -0.00009 0.00044 -0.00019 118 3PZ 0.00040 0.00088 0.00039 -0.00009 -0.00048 119 4XX -0.00018 -0.00002 0.00004 0.00001 -0.00001 120 4YY 0.00000 -0.00024 0.00009 0.00010 -0.00004 121 4ZZ 0.00004 -0.00007 -0.00002 0.00007 -0.00003 122 4XY 0.00018 -0.00008 -0.00003 0.00007 0.00000 123 4XZ -0.00012 0.00001 0.00009 0.00005 0.00003 124 4YZ 0.00004 0.00018 0.00004 0.00001 -0.00001 125 9 C 1S -0.00270 0.98943 0.00106 -0.08184 0.00000 126 2S -0.00044 0.04956 0.00015 -0.00474 0.00001 127 2PX 0.00006 0.00010 0.00008 0.00015 -0.00001 128 2PY -0.00011 0.00034 0.00007 0.00012 -0.00001 129 2PZ 0.00002 -0.00033 0.00005 0.00031 0.00000 130 3S 0.00173 -0.01644 -0.00228 0.00793 -0.00048 131 3PX -0.00047 0.00064 0.00040 -0.00131 0.00007 132 3PY 0.00064 -0.00095 -0.00061 -0.00062 -0.00011 133 3PZ -0.00105 0.00323 0.00115 -0.00311 0.00032 134 4XX -0.00004 -0.00934 -0.00001 0.00058 0.00001 135 4YY -0.00002 -0.00921 0.00002 0.00048 -0.00001 136 4ZZ -0.00009 -0.00907 -0.00001 0.00054 0.00000 137 4XY -0.00004 0.00010 0.00002 -0.00008 -0.00001 138 4XZ 0.00010 0.00016 0.00000 -0.00006 0.00001 139 4YZ -0.00008 0.00004 0.00003 -0.00006 0.00000 140 10 H 1S -0.00003 -0.00003 0.00008 -0.00049 0.00001 141 2S -0.00025 0.00071 0.00078 0.00129 0.00009 142 11 H 1S -0.00006 -0.00004 -0.00008 -0.00006 -0.00008 143 2S -0.00003 0.00003 -0.00059 -0.00030 -0.00024 144 12 H 1S 0.00002 -0.00003 -0.00003 -0.00003 0.00001 145 2S -0.00039 -0.00016 -0.00003 0.00022 0.00017 146 13 H 1S 0.00004 -0.00047 -0.00003 0.00002 -0.00001 147 2S 0.00037 0.00125 -0.00028 0.00039 -0.00009 148 14 C 1S 0.00137 -0.00002 0.02407 0.00005 0.99241 149 2S -0.00006 0.00001 0.00066 0.00004 0.04937 150 2PX -0.00001 -0.00002 -0.00039 -0.00001 0.00012 151 2PY -0.00003 -0.00001 0.00009 -0.00002 -0.00004 152 2PZ -0.00004 0.00000 -0.00022 0.00001 0.00007 153 3S 0.00075 -0.00050 0.00415 0.00046 -0.01302 154 3PX 0.00042 -0.00019 0.00138 0.00028 -0.00087 155 3PY -0.00084 0.00007 0.00021 0.00080 0.00014 156 3PZ -0.00023 -0.00010 0.00119 0.00024 -0.00052 157 4XX 0.00004 0.00000 -0.00060 0.00005 -0.00934 158 4YY 0.00001 0.00001 -0.00045 -0.00001 -0.00953 159 4ZZ -0.00006 0.00000 -0.00042 0.00000 -0.00959 160 4XY -0.00009 0.00000 0.00009 0.00004 -0.00015 161 4XZ 0.00003 0.00000 -0.00012 -0.00001 0.00026 162 4YZ 0.00001 0.00000 0.00000 0.00004 0.00009 163 15 H 1S 0.00002 0.00000 -0.00013 -0.00005 -0.00033 164 2S 0.00037 -0.00001 -0.00036 -0.00026 0.00223 165 16 H 1S -0.00006 0.00002 -0.00004 0.00005 -0.00033 166 2S -0.00019 -0.00001 0.00015 0.00040 0.00214 167 17 C 1S 0.01988 0.00007 -0.00158 -0.00004 -0.00169 168 2S 0.00045 -0.00004 -0.00016 -0.00004 -0.00009 169 2PX -0.00005 0.00000 0.00003 0.00001 0.00003 170 2PY 0.00040 -0.00005 -0.00003 0.00002 0.00002 171 2PZ 0.00007 0.00003 0.00004 0.00003 0.00004 172 3S 0.00406 0.00117 0.00019 -0.00044 -0.00016 173 3PX 0.00005 -0.00006 0.00059 -0.00007 -0.00012 174 3PY -0.00161 -0.00051 -0.00023 0.00013 0.00014 175 3PZ -0.00079 -0.00064 0.00035 0.00002 -0.00011 176 4XX -0.00035 0.00002 0.00004 -0.00002 -0.00001 177 4YY -0.00055 0.00002 0.00013 0.00000 -0.00001 178 4ZZ -0.00032 0.00001 0.00000 -0.00002 -0.00002 179 4XY 0.00005 -0.00002 -0.00009 -0.00001 -0.00002 180 4XZ -0.00004 -0.00001 0.00005 0.00001 0.00000 181 4YZ -0.00001 0.00005 0.00000 0.00000 -0.00001 182 18 H 1S -0.00004 0.00000 -0.00004 0.00002 0.00002 183 2S 0.00009 0.00031 -0.00007 -0.00002 0.00005 184 19 H 1S -0.00012 -0.00006 0.00001 -0.00001 -0.00001 185 2S -0.00029 -0.00011 0.00035 -0.00001 -0.00022 11 12 13 14 15 O O O O O Eigenvalues -- -10.19408 -8.06197 -6.02730 -6.02441 -6.01937 1 1 S 1S 0.00000 -0.27981 -0.00104 -0.00067 -0.00328 2 2S 0.00000 1.02278 0.00400 0.00282 0.01226 3 2PX 0.00000 -0.00976 0.49072 -0.30717 0.80431 4 2PY 0.00001 0.00439 0.75613 -0.28729 -0.57185 5 2PZ 0.00001 -0.00474 0.41072 0.89701 0.09206 6 3S -0.00012 0.07565 -0.00016 0.00160 -0.00108 7 3PX 0.00000 -0.00293 0.01635 -0.01042 0.02398 8 3PY -0.00003 0.00089 0.02588 -0.01080 -0.01772 9 3PZ -0.00004 -0.00033 0.01240 0.02898 0.00308 10 4S 0.00053 -0.01702 -0.00173 -0.00708 -0.00582 11 4PX -0.00022 0.00322 -0.00272 0.00513 -0.00430 12 4PY 0.00016 -0.00008 -0.00497 0.00102 0.00312 13 4PZ -0.00001 -0.00105 -0.00307 -0.00636 -0.00060 14 5XX 0.00002 -0.01581 -0.00133 0.00142 -0.00067 15 5YY 0.00004 -0.01508 0.00170 -0.00168 -0.00056 16 5ZZ 0.00004 -0.01565 -0.00016 -0.00010 0.00045 17 5XY 0.00005 0.00067 -0.00149 -0.00013 0.00071 18 5XZ -0.00001 -0.00003 -0.00140 -0.00153 -0.00015 19 5YZ -0.00004 -0.00020 -0.00167 0.00123 0.00066 20 2 O 1S 0.00001 -0.00023 -0.00023 0.00007 0.00006 21 2S 0.00006 -0.00024 0.00023 -0.00115 -0.00083 22 2PX 0.00003 0.00009 -0.00007 0.00013 0.00002 23 2PY -0.00004 -0.00012 -0.00005 0.00019 0.00023 24 2PZ -0.00001 0.00006 -0.00005 -0.00015 -0.00009 25 3S -0.00029 0.00038 -0.00187 0.00670 0.00503 26 3PX -0.00003 -0.00044 -0.00006 -0.00071 -0.00082 27 3PY 0.00017 0.00201 0.00273 -0.00448 -0.00291 28 3PZ -0.00002 -0.00081 -0.00156 0.00172 0.00133 29 4XX 0.00001 -0.00021 0.00011 -0.00071 -0.00040 30 4YY -0.00001 -0.00036 -0.00018 0.00033 -0.00048 31 4ZZ 0.00001 -0.00020 -0.00038 -0.00091 -0.00045 32 4XY -0.00001 0.00005 0.00029 0.00001 0.00070 33 4XZ 0.00000 0.00001 -0.00006 0.00006 -0.00030 34 4YZ 0.00001 0.00009 0.00071 0.00008 -0.00010 35 3 O 1S 0.00002 -0.00007 -0.00011 -0.00003 -0.00022 36 2S 0.00009 0.00006 -0.00144 -0.00015 -0.00107 37 2PX 0.00000 -0.00005 0.00000 -0.00014 0.00007 38 2PY 0.00002 -0.00003 -0.00018 -0.00021 -0.00014 39 2PZ 0.00001 0.00007 -0.00026 -0.00005 -0.00005 40 3S -0.00056 -0.00027 0.00511 -0.00049 0.00567 41 3PX 0.00007 -0.00021 0.00259 0.00246 -0.00063 42 3PY -0.00011 -0.00091 0.00343 0.00181 0.00141 43 3PZ -0.00012 -0.00166 0.00391 -0.00026 0.00125 44 4XX 0.00005 -0.00043 -0.00012 -0.00003 -0.00094 45 4YY 0.00006 -0.00020 -0.00034 0.00034 -0.00018 46 4ZZ 0.00005 -0.00028 -0.00018 -0.00065 -0.00072 47 4XY -0.00001 -0.00038 0.00091 0.00040 0.00005 48 4XZ 0.00001 -0.00014 0.00072 0.00010 -0.00031 49 4YZ 0.00000 -0.00035 0.00089 0.00003 0.00039 50 4 C 1S 0.00002 -0.00003 0.00011 -0.00002 -0.00007 51 2S -0.00002 -0.00003 0.00043 0.00002 -0.00040 52 2PX -0.00001 -0.00017 0.00008 -0.00011 0.00003 53 2PY -0.00003 -0.00016 0.00016 -0.00016 0.00018 54 2PZ 0.00002 0.00007 -0.00023 0.00007 0.00007 55 3S -0.00036 -0.00663 0.00069 -0.00710 0.00792 56 3PX -0.00008 -0.00129 -0.00039 -0.00155 0.00164 57 3PY -0.00016 -0.00413 0.00050 -0.00388 0.00418 58 3PZ 0.00009 0.00005 0.00044 0.00111 0.00031 59 4XX -0.00003 -0.00010 0.00015 -0.00005 -0.00007 60 4YY -0.00001 -0.00024 0.00027 -0.00012 0.00008 61 4ZZ -0.00002 -0.00010 0.00016 -0.00015 -0.00003 62 4XY -0.00002 0.00001 -0.00012 -0.00002 0.00006 63 4XZ 0.00000 -0.00003 0.00003 -0.00001 0.00003 64 4YZ 0.00001 0.00002 -0.00001 0.00005 0.00003 65 5 C 1S -0.00003 -0.00022 0.00011 -0.00031 0.00020 66 2S -0.00020 -0.00126 0.00072 -0.00169 0.00113 67 2PX -0.00001 -0.00013 -0.00012 -0.00016 -0.00020 68 2PY 0.00002 -0.00022 0.00005 -0.00004 0.00023 69 2PZ -0.00003 -0.00023 0.00035 -0.00020 0.00008 70 3S 0.00141 0.00730 -0.00223 0.01208 -0.00728 71 3PX 0.00008 0.00257 -0.00141 0.00354 -0.00125 72 3PY 0.00055 0.00342 -0.00261 0.00320 -0.00271 73 3PZ 0.00044 0.00458 -0.00394 0.00405 -0.00209 74 4XX -0.00004 0.00000 -0.00013 -0.00011 0.00000 75 4YY -0.00001 -0.00018 -0.00002 -0.00029 0.00011 76 4ZZ -0.00003 -0.00025 0.00022 -0.00021 0.00022 77 4XY -0.00001 0.00010 -0.00020 0.00005 -0.00008 78 4XZ -0.00001 0.00000 -0.00013 -0.00006 -0.00007 79 4YZ 0.00001 -0.00003 0.00004 0.00001 0.00002 80 6 C 1S 0.00019 -0.00007 0.00003 0.00003 0.00010 81 2S -0.00001 -0.00017 0.00002 0.00030 0.00045 82 2PX 0.00003 -0.00017 0.00018 -0.00002 0.00015 83 2PY -0.00006 0.00003 -0.00009 -0.00001 -0.00013 84 2PZ 0.00001 0.00011 -0.00012 -0.00006 -0.00001 85 3S -0.00079 -0.00299 0.00336 -0.00690 -0.00141 86 3PX -0.00068 -0.00336 0.00155 -0.00642 -0.00125 87 3PY 0.00053 0.00106 0.00032 0.00149 -0.00249 88 3PZ -0.00021 -0.00246 0.00290 -0.00330 -0.00258 89 4XX 0.00001 -0.00022 0.00008 -0.00015 0.00012 90 4YY 0.00003 -0.00020 0.00015 -0.00001 0.00021 91 4ZZ 0.00003 -0.00019 0.00018 -0.00009 0.00011 92 4XY 0.00003 0.00003 -0.00003 0.00003 -0.00010 93 4XZ 0.00005 -0.00008 0.00010 -0.00014 -0.00009 94 4YZ 0.00003 0.00006 -0.00003 -0.00004 -0.00006 95 7 C 1S -0.02041 -0.00017 -0.00005 -0.00016 -0.00008 96 2S -0.00147 -0.00101 -0.00011 -0.00101 -0.00005 97 2PX 0.00010 0.00001 -0.00024 -0.00003 -0.00043 98 2PY -0.00042 -0.00012 -0.00011 0.00017 0.00054 99 2PZ -0.00011 0.00010 -0.00003 0.00008 0.00006 100 3S 0.00492 0.00936 -0.00128 0.00952 -0.00222 101 3PX -0.00040 0.00388 0.00156 0.00505 -0.00300 102 3PY 0.00155 -0.00453 0.00399 -0.01017 -0.00337 103 3PZ 0.00033 -0.00059 0.00184 -0.00234 -0.00263 104 4XX -0.00001 0.00008 -0.00011 0.00015 -0.00047 105 4YY -0.00012 -0.00002 -0.00018 -0.00005 -0.00047 106 4ZZ 0.00002 -0.00020 -0.00014 -0.00009 -0.00004 107 4XY 0.00005 -0.00019 0.00001 -0.00019 0.00021 108 4XZ -0.00007 -0.00003 -0.00001 0.00002 0.00022 109 4YZ -0.00005 0.00010 -0.00003 0.00016 -0.00004 110 8 C 1S 0.00011 0.00034 -0.00007 0.00049 -0.00035 111 2S -0.00004 0.00210 -0.00029 0.00329 -0.00217 112 2PX 0.00001 -0.00022 0.00019 -0.00016 0.00037 113 2PY -0.00007 -0.00026 0.00037 -0.00043 -0.00009 114 2PZ -0.00005 -0.00029 0.00039 -0.00031 0.00045 115 3S -0.00049 -0.01188 0.00074 -0.01624 0.00946 116 3PX 0.00009 0.00524 -0.00215 0.00516 -0.00210 117 3PY 0.00039 0.00363 -0.00386 0.00550 -0.00046 118 3PZ 0.00037 0.00396 -0.00316 0.00613 -0.00543 119 4XX 0.00004 0.00010 -0.00025 -0.00007 -0.00025 120 4YY 0.00005 0.00025 -0.00002 0.00048 -0.00042 121 4ZZ 0.00001 0.00018 -0.00007 0.00003 0.00011 122 4XY -0.00006 0.00009 -0.00008 0.00019 -0.00009 123 4XZ 0.00005 0.00027 0.00012 0.00071 -0.00042 124 4YZ 0.00001 0.00014 0.00009 0.00004 -0.00011 125 9 C 1S -0.00002 -0.00018 -0.00004 -0.00014 0.00008 126 2S 0.00000 -0.00102 -0.00006 -0.00094 0.00046 127 2PX -0.00001 -0.00004 -0.00012 0.00002 -0.00014 128 2PY 0.00002 0.00018 -0.00023 0.00033 0.00008 129 2PZ 0.00000 0.00002 0.00018 -0.00019 -0.00019 130 3S 0.00031 0.01068 -0.00177 0.01140 -0.00637 131 3PX 0.00003 -0.00057 0.00030 0.00047 0.00254 132 3PY 0.00008 0.00235 -0.00018 0.00288 -0.00074 133 3PZ -0.00027 -0.00582 0.00073 -0.00593 0.00627 134 4XX 0.00001 -0.00026 -0.00017 -0.00008 0.00014 135 4YY 0.00002 -0.00007 -0.00009 -0.00002 -0.00001 136 4ZZ 0.00002 0.00002 -0.00019 0.00022 -0.00008 137 4XY 0.00001 0.00017 -0.00004 0.00022 -0.00004 138 4XZ 0.00000 -0.00009 0.00005 -0.00019 -0.00015 139 4YZ -0.00001 -0.00011 0.00009 -0.00019 0.00001 140 10 H 1S 0.00000 -0.00012 0.00000 -0.00009 0.00007 141 2S -0.00003 -0.00113 0.00008 -0.00101 0.00097 142 11 H 1S -0.00001 0.00036 -0.00046 0.00001 -0.00001 143 2S 0.00014 0.00177 -0.00167 0.00128 -0.00067 144 12 H 1S -0.00005 -0.00034 0.00040 -0.00032 -0.00002 145 2S -0.00024 -0.00074 0.00360 -0.00105 0.00130 146 13 H 1S 0.00001 0.00009 0.00003 0.00002 -0.00036 147 2S 0.00010 0.00146 -0.00019 0.00133 -0.00236 148 14 C 1S 0.00168 -0.00001 0.00000 -0.00002 0.00000 149 2S 0.00007 -0.00004 0.00000 -0.00011 0.00003 150 2PX -0.00002 -0.00002 -0.00002 -0.00005 -0.00004 151 2PY -0.00004 0.00003 -0.00003 0.00000 -0.00002 152 2PZ -0.00004 -0.00005 -0.00001 -0.00007 -0.00001 153 3S -0.00022 -0.00215 0.00103 -0.00300 -0.00086 154 3PX -0.00015 -0.00067 0.00057 -0.00080 -0.00052 155 3PY 0.00008 0.00010 -0.00023 0.00030 0.00113 156 3PZ -0.00002 -0.00003 -0.00026 -0.00033 0.00034 157 4XX -0.00004 0.00002 0.00001 0.00003 -0.00005 158 4YY -0.00004 -0.00003 0.00001 -0.00005 -0.00003 159 4ZZ -0.00005 0.00002 -0.00006 -0.00005 0.00000 160 4XY -0.00002 -0.00003 0.00000 -0.00003 0.00004 161 4XZ 0.00000 0.00007 -0.00006 0.00005 0.00000 162 4YZ -0.00001 -0.00002 0.00002 -0.00001 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00001 -0.00005 164 2S -0.00019 0.00009 0.00019 -0.00002 -0.00060 165 16 H 1S 0.00001 0.00004 -0.00002 0.00005 0.00009 166 2S 0.00002 0.00012 -0.00010 0.00011 0.00033 167 17 C 1S 0.99251 -0.00001 -0.00003 -0.00002 0.00003 168 2S 0.04937 0.00002 -0.00007 -0.00009 -0.00002 169 2PX 0.00000 -0.00008 -0.00014 0.00003 0.00024 170 2PY -0.00014 0.00005 0.00008 -0.00013 -0.00027 171 2PZ -0.00001 0.00005 0.00003 0.00002 -0.00012 172 3S -0.01308 0.00135 -0.00201 0.00577 0.00255 173 3PX -0.00018 -0.00074 -0.00045 -0.00063 0.00065 174 3PY 0.00099 -0.00034 0.00077 -0.00210 -0.00108 175 3PZ 0.00023 -0.00041 -0.00009 -0.00079 0.00042 176 4XX -0.00958 -0.00007 -0.00010 -0.00003 0.00010 177 4YY -0.00925 -0.00007 -0.00001 0.00002 0.00026 178 4ZZ -0.00963 -0.00006 -0.00009 -0.00003 0.00013 179 4XY -0.00013 0.00010 0.00006 0.00007 -0.00010 180 4XZ 0.00015 0.00002 0.00000 0.00004 0.00001 181 4YZ 0.00013 -0.00001 0.00004 -0.00001 -0.00001 182 18 H 1S -0.00033 0.00004 0.00002 0.00000 -0.00003 183 2S 0.00216 0.00023 0.00001 0.00032 -0.00026 184 19 H 1S -0.00034 -0.00004 0.00002 -0.00016 -0.00004 185 2S 0.00222 -0.00034 -0.00015 -0.00042 0.00032 16 17 18 19 20 O O O O O Eigenvalues -- -1.06297 -0.99943 -0.86781 -0.79700 -0.78737 1 1 S 1S 0.03882 0.01978 -0.00088 -0.00974 -0.01736 2 2S -0.17351 -0.08985 0.00420 0.04415 0.07781 3 2PX 0.02820 -0.02172 0.00290 -0.01111 -0.02727 4 2PY -0.02378 -0.08631 -0.01098 -0.01436 -0.03069 5 2PZ 0.03400 0.01504 -0.02675 0.01698 0.01336 6 3S 0.35481 0.18259 -0.00804 -0.09367 -0.16959 7 3PX -0.06196 0.04520 -0.00739 0.02597 0.06477 8 3PY 0.04908 0.18549 0.02433 0.03348 0.06995 9 3PZ -0.06877 -0.03293 0.05940 -0.03917 -0.03122 10 4S -0.02465 0.01486 -0.00821 -0.02397 -0.03662 11 4PX 0.03349 -0.00411 0.00309 0.00000 -0.00263 12 4PY -0.01371 -0.01993 -0.00178 -0.00166 0.00097 13 4PZ 0.00879 0.00707 -0.00294 -0.00109 -0.00263 14 5XX -0.01255 -0.03050 0.00416 -0.00179 -0.00889 15 5YY 0.01855 0.03302 -0.00459 0.00782 0.01683 16 5ZZ -0.01067 -0.01103 0.00256 -0.00384 -0.00555 17 5XY 0.01449 -0.01228 -0.00793 -0.00317 -0.00364 18 5XZ 0.00953 -0.01105 -0.01500 0.00669 0.00137 19 5YZ -0.00861 -0.03952 -0.00522 -0.00441 -0.01896 20 2 O 1S -0.10678 -0.15250 0.00417 -0.01961 -0.04637 21 2S 0.22982 0.33819 -0.00948 0.04262 0.10397 22 2PX -0.00768 -0.00329 -0.00267 0.00020 0.00892 23 2PY -0.08914 -0.10632 0.00591 -0.00158 -0.00574 24 2PZ 0.03845 0.05250 0.00501 -0.00147 0.00011 25 3S 0.22757 0.31286 -0.00845 0.05360 0.11879 26 3PX -0.00898 -0.00116 -0.00084 -0.00064 0.00352 27 3PY -0.03643 -0.03437 0.00259 -0.00085 -0.00198 28 3PZ 0.01546 0.01852 0.00180 -0.00008 0.00110 29 4XX -0.00622 -0.00603 0.00045 -0.00087 -0.00200 30 4YY 0.01075 0.01050 -0.00118 -0.00102 -0.00131 31 4ZZ -0.00258 -0.00139 0.00048 -0.00117 -0.00160 32 4XY 0.00243 0.00119 -0.00002 0.00000 -0.00045 33 4XZ -0.00063 -0.00031 -0.00021 0.00005 0.00050 34 4YZ -0.00817 -0.00868 -0.00002 0.00021 -0.00020 35 3 O 1S -0.14573 0.12924 0.06390 -0.00722 0.02174 36 2S 0.31069 -0.28520 -0.13930 0.01523 -0.04778 37 2PX -0.01098 0.04067 -0.02318 -0.03559 -0.08486 38 2PY 0.03662 -0.00448 -0.01303 -0.00411 -0.04842 39 2PZ 0.06346 -0.04848 -0.00273 -0.01720 -0.01060 40 3S 0.34827 -0.29803 -0.18010 0.02417 -0.06988 41 3PX -0.00537 0.02244 -0.00437 -0.01765 -0.03795 42 3PY 0.02995 -0.00384 -0.01005 -0.00164 -0.02526 43 3PZ 0.04519 -0.03114 -0.01124 -0.00553 -0.00820 44 4XX 0.00377 -0.00525 0.00083 0.00243 0.00493 45 4YY -0.00368 0.00438 0.00174 -0.00058 -0.00173 46 4ZZ -0.00080 0.00023 0.00278 -0.00268 -0.00025 47 4XY 0.00900 -0.00439 -0.00328 -0.00069 -0.00111 48 4XZ 0.00051 0.00360 -0.00251 -0.00218 -0.00635 49 4YZ 0.00821 -0.00320 -0.00252 -0.00051 -0.00467 50 4 C 1S -0.01432 0.01824 -0.07535 0.07389 -0.09458 51 2S 0.02685 -0.03335 0.14513 -0.14127 0.18574 52 2PX 0.00554 -0.00483 0.01617 -0.04084 -0.00035 53 2PY 0.01291 -0.01363 0.05381 -0.03507 0.02903 54 2PZ -0.01236 0.01552 0.01317 -0.05673 -0.02572 55 3S 0.02055 -0.01594 0.08149 -0.10606 0.10917 56 3PX 0.00457 -0.00306 -0.00155 -0.00239 -0.00644 57 3PY 0.00470 0.00009 -0.00318 -0.00637 -0.01435 58 3PZ -0.00175 0.00018 0.00511 -0.00347 -0.00399 59 4XX -0.00079 0.00156 -0.00564 0.00485 -0.00747 60 4YY 0.00089 -0.00051 0.00225 -0.00074 0.00056 61 4ZZ 0.00237 -0.00237 -0.00086 0.00287 0.00226 62 4XY 0.00100 -0.00100 0.00354 -0.00602 0.00252 63 4XZ -0.00002 0.00008 0.00399 -0.00358 0.00347 64 4YZ -0.00191 0.00201 0.00084 -0.00452 -0.00383 65 5 C 1S -0.04849 0.05697 -0.05194 -0.03021 -0.10112 66 2S 0.09458 -0.10873 0.09164 0.06149 0.19788 67 2PX 0.05540 -0.05725 -0.04122 -0.03674 -0.02164 68 2PY 0.01688 -0.01559 0.01910 0.05391 -0.02044 69 2PZ -0.01274 0.01568 0.05853 -0.04500 0.03261 70 3S 0.01660 -0.05678 0.11491 0.04312 0.18069 71 3PX -0.00484 0.00211 0.00026 -0.01894 -0.00893 72 3PY -0.00885 -0.00307 0.02161 0.00243 0.00614 73 3PZ -0.00416 -0.00768 0.02551 -0.01316 0.02066 74 4XX 0.00840 -0.00770 -0.00806 0.00137 -0.00574 75 4YY -0.00377 0.00404 0.00229 0.00450 -0.00272 76 4ZZ -0.00231 0.00229 0.00240 -0.00675 0.00289 77 4XY 0.00441 -0.00388 -0.00469 -0.00390 -0.00247 78 4XZ -0.00435 0.00472 0.00418 -0.00262 0.00210 79 4YZ -0.00013 0.00021 0.00136 0.00375 -0.00091 80 6 C 1S -0.01454 0.01593 -0.08760 -0.11529 -0.03635 81 2S 0.02454 -0.03233 0.17101 0.22713 0.07342 82 2PX 0.01347 -0.01398 0.01859 -0.04328 -0.01826 83 2PY -0.00971 0.01367 0.00267 0.02189 -0.07221 84 2PZ -0.00056 0.00283 0.02628 -0.02396 -0.04256 85 3S 0.02233 -0.00203 0.07569 0.13440 0.03475 86 3PX 0.02037 0.00582 0.00347 0.01311 0.00169 87 3PY -0.00813 0.00005 0.01092 -0.00431 -0.00624 88 3PZ 0.00244 0.00559 0.01384 0.00466 0.00229 89 4XX 0.00126 -0.00149 -0.00174 -0.00066 -0.00088 90 4YY 0.00089 -0.00174 -0.00092 -0.00341 0.00166 91 4ZZ -0.00108 0.00064 -0.00293 -0.00623 -0.00453 92 4XY -0.00230 0.00283 -0.00073 -0.00241 -0.00690 93 4XZ 0.00018 0.00009 0.00713 0.00604 -0.00093 94 4YZ 0.00118 -0.00083 0.00373 0.00451 -0.00268 95 7 C 1S -0.01182 0.00440 -0.10212 -0.05648 0.09349 96 2S 0.01665 -0.00871 0.19899 0.10920 -0.18429 97 2PX 0.00697 0.00324 0.01147 -0.05892 -0.03109 98 2PY -0.00807 0.00648 -0.02875 0.02547 -0.05388 99 2PZ -0.00350 0.00347 -0.00340 -0.04520 -0.03676 100 3S 0.01208 -0.00539 0.09446 0.07743 -0.11244 101 3PX -0.00368 -0.00011 -0.00369 -0.00555 -0.00547 102 3PY 0.01168 0.01607 -0.01190 -0.01282 0.01163 103 3PZ -0.00406 0.00570 -0.00652 -0.01373 0.00305 104 4XX 0.00020 0.00100 -0.00291 -0.00435 0.00250 105 4YY -0.00070 -0.00077 0.00164 0.00021 0.00044 106 4ZZ -0.00079 -0.00023 -0.00480 -0.00136 0.00707 107 4XY -0.00096 0.00028 -0.00286 0.00368 0.00593 108 4XZ -0.00047 -0.00084 0.00665 0.00306 -0.00277 109 4YZ 0.00090 -0.00122 0.00328 0.00708 -0.00038 110 8 C 1S -0.02145 0.00084 -0.09767 0.06525 0.07765 111 2S 0.02827 -0.00273 0.17757 -0.12178 -0.14508 112 2PX 0.00538 0.00922 -0.04608 -0.01427 0.00895 113 2PY -0.00393 0.00960 -0.01860 0.06447 -0.04813 114 2PZ -0.01841 -0.00111 -0.01299 -0.01856 0.02038 115 3S 0.06923 0.00609 0.17093 -0.12592 -0.15493 116 3PX 0.00273 0.00119 -0.01528 0.00106 0.00008 117 3PY -0.00757 -0.00271 -0.00884 0.02784 -0.01286 118 3PZ -0.02689 -0.00387 -0.02193 0.01028 0.01194 119 4XX -0.00091 0.00092 -0.00061 0.00464 -0.00106 120 4YY -0.00159 -0.00063 0.00198 -0.00451 0.00382 121 4ZZ 0.00188 0.00049 -0.00375 0.00220 -0.00056 122 4XY 0.00012 0.00014 0.00057 -0.00535 0.00456 123 4XZ -0.00203 -0.00184 0.00456 0.00218 -0.00202 124 4YZ 0.00085 -0.00123 -0.00129 -0.00066 -0.00042 125 9 C 1S -0.01052 0.00927 -0.08806 0.10923 -0.03030 126 2S 0.01820 -0.01506 0.16962 -0.21043 0.05725 127 2PX 0.00015 0.00307 -0.01599 0.00714 -0.03705 128 2PY 0.00311 0.00085 0.02171 -0.00086 -0.06711 129 2PZ -0.01085 0.01067 -0.05224 0.04457 -0.03613 130 3S 0.00001 -0.01667 0.10004 -0.14276 0.06064 131 3PX -0.00022 -0.00362 0.00212 -0.00200 -0.01057 132 3PY -0.00099 -0.00297 0.00023 0.00337 -0.00481 133 3PZ 0.00532 0.00528 0.00433 -0.00190 -0.01789 134 4XX -0.00114 0.00093 -0.00654 0.00849 -0.00199 135 4YY -0.00016 0.00071 0.00158 0.00055 -0.00569 136 4ZZ 0.00098 -0.00136 0.00089 -0.00107 0.00306 137 4XY 0.00044 -0.00056 0.00327 -0.00457 0.00075 138 4XZ -0.00010 -0.00008 0.00428 -0.00407 0.00510 139 4YZ -0.00029 0.00017 -0.00190 0.00101 0.00485 140 10 H 1S 0.00316 -0.00470 0.02718 -0.03395 0.04989 141 2S 0.00056 0.00017 -0.00134 -0.00600 0.00522 142 11 H 1S 0.01583 -0.02157 0.01909 0.02419 0.06321 143 2S -0.00004 -0.00452 0.00641 0.00154 0.01656 144 12 H 1S 0.00544 0.00183 0.04276 -0.03556 -0.05137 145 2S 0.00454 0.00413 0.01158 -0.01191 -0.00897 146 13 H 1S 0.00202 -0.00177 0.03289 -0.05421 0.01292 147 2S -0.00195 -0.00056 -0.00144 -0.00765 0.00664 148 14 C 1S -0.00266 0.00408 -0.03995 -0.09625 -0.03244 149 2S 0.00511 -0.00754 0.07556 0.18349 0.06172 150 2PX 0.00357 -0.00432 0.03422 0.06277 0.02090 151 2PY -0.00130 0.00222 -0.00698 -0.01326 -0.01993 152 2PZ 0.00134 -0.00163 0.02066 0.03373 0.00453 153 3S 0.01282 -0.00182 0.05825 0.15331 0.05521 154 3PX 0.00279 0.00041 0.00748 0.01296 0.00512 155 3PY 0.00034 -0.00105 -0.00779 0.00010 -0.00797 156 3PZ 0.00346 0.00067 -0.00004 0.00891 -0.00157 157 4XX 0.00013 -0.00009 0.00188 0.00227 0.00076 158 4YY -0.00020 0.00033 -0.00127 -0.00227 -0.00022 159 4ZZ -0.00004 0.00042 -0.00155 -0.00435 -0.00189 160 4XY -0.00020 0.00034 -0.00200 -0.00391 -0.00268 161 4XZ 0.00031 -0.00022 0.00399 0.00745 0.00204 162 4YZ -0.00002 -0.00002 0.00081 0.00338 0.00045 163 15 H 1S 0.00038 -0.00096 0.01726 0.04704 0.01096 164 2S -0.00072 0.00083 0.00521 0.00788 0.00104 165 16 H 1S 0.00101 -0.00178 0.01541 0.04681 0.02073 166 2S 0.00035 0.00019 -0.00125 0.01017 0.00329 167 17 C 1S -0.00233 0.00010 -0.04666 -0.04743 0.08234 168 2S 0.00393 -0.00100 0.08857 0.09056 -0.15843 169 2PX 0.00087 0.00012 0.01019 -0.00286 -0.02057 170 2PY -0.00243 0.00105 -0.04552 -0.03428 0.05782 171 2PZ -0.00075 0.00047 -0.00891 -0.01610 0.00625 172 3S -0.00625 -0.00915 0.06816 0.07649 -0.13120 173 3PX 0.00187 0.00054 0.00521 -0.00256 -0.00220 174 3PY 0.00343 0.00437 -0.00874 -0.00852 0.01149 175 3PZ 0.00301 -0.00055 0.00186 -0.00386 -0.00122 176 4XX -0.00025 -0.00010 -0.00230 -0.00218 0.00284 177 4YY 0.00023 -0.00028 0.00409 0.00251 -0.00449 178 4ZZ -0.00038 -0.00023 -0.00305 -0.00246 0.00464 179 4XY -0.00025 0.00000 -0.00231 -0.00085 0.00382 180 4XZ -0.00007 -0.00012 0.00203 0.00258 -0.00439 181 4YZ 0.00014 0.00003 0.00214 0.00276 -0.00276 182 18 H 1S 0.00054 0.00006 0.01907 0.01922 -0.04398 183 2S -0.00127 0.00000 0.00022 0.00350 -0.00905 184 19 H 1S 0.00095 -0.00005 0.01911 0.02732 -0.03768 185 2S 0.00111 -0.00021 0.00392 0.00665 -0.00563 21 22 23 24 25 O O O O O Eigenvalues -- -0.72057 -0.67799 -0.63950 -0.61836 -0.56344 1 1 S 1S 0.02621 -0.00386 0.04410 0.01552 -0.01393 2 2S -0.11769 0.01703 -0.19658 -0.06999 0.06191 3 2PX 0.02153 0.00572 0.01345 -0.00773 0.01506 4 2PY 0.03151 -0.02566 0.03916 -0.00836 -0.00903 5 2PZ -0.01880 -0.03734 -0.01005 -0.05163 0.00178 6 3S 0.26167 -0.04042 0.45682 0.15899 -0.14860 7 3PX -0.05364 -0.01413 -0.03753 0.01757 -0.03644 8 3PY -0.07402 0.06247 -0.09374 0.02155 0.02234 9 3PZ 0.04399 0.08945 0.02272 0.12677 -0.00374 10 4S 0.07542 -0.00881 0.14892 0.06767 -0.05618 11 4PX -0.00051 -0.00412 0.00141 -0.00031 -0.00800 12 4PY -0.00223 0.00776 -0.01378 -0.00220 0.00750 13 4PZ 0.00729 0.00230 0.01485 0.01744 -0.00762 14 5XX 0.00482 0.00636 0.00453 -0.00507 0.00394 15 5YY -0.01782 -0.00458 -0.01847 -0.00725 0.00573 16 5ZZ 0.00567 0.00058 -0.00350 0.00527 -0.00158 17 5XY 0.00503 -0.01171 0.00451 -0.00674 -0.00408 18 5XZ -0.00357 -0.01747 0.00171 -0.01838 -0.00171 19 5YZ 0.01397 -0.00553 0.01515 0.00126 0.00627 20 2 O 1S 0.04732 -0.00167 0.07239 0.02522 -0.01893 21 2S -0.10481 0.00577 -0.16112 -0.05519 0.04192 22 2PX -0.00410 -0.00485 -0.00655 0.00499 -0.01289 23 2PY -0.01461 0.00930 -0.06137 -0.01407 0.03702 24 2PZ 0.00653 0.01497 0.02487 0.03537 -0.00738 25 3S -0.13622 -0.00192 -0.22541 -0.08381 0.06374 26 3PX -0.00107 -0.00102 -0.00261 0.00410 -0.00669 27 3PY -0.00590 0.00673 -0.02543 -0.00300 0.01763 28 3PZ 0.00071 0.00633 0.00838 0.01636 -0.00108 29 4XX 0.00175 0.00098 0.00238 0.00070 -0.00024 30 4YY 0.00361 -0.00115 0.00765 0.00105 -0.00340 31 4ZZ 0.00202 0.00191 0.00276 0.00333 -0.00027 32 4XY 0.00035 0.00013 0.00028 -0.00090 0.00096 33 4XZ -0.00013 -0.00033 -0.00046 -0.00018 -0.00076 34 4YZ -0.00105 -0.00090 -0.00281 -0.00264 0.00107 35 3 O 1S 0.01339 0.02852 0.05763 0.02467 -0.02302 36 2S -0.02965 -0.06267 -0.12999 -0.05631 0.05196 37 2PX 0.09795 -0.11409 0.13593 -0.05774 0.01616 38 2PY 0.06104 -0.03069 0.08156 -0.05743 -0.04475 39 2PZ 0.01861 0.00122 0.06984 0.00682 -0.00188 40 3S -0.03725 -0.09977 -0.18953 -0.08108 0.08223 41 3PX 0.04768 -0.05736 0.06883 -0.03325 0.00891 42 3PY 0.02720 -0.01559 0.03898 -0.03402 -0.02503 43 3PZ 0.00855 -0.00311 0.03081 0.00557 0.00018 44 4XX -0.00326 0.00496 -0.00189 0.00410 -0.00382 45 4YY 0.00300 -0.00091 0.00462 -0.00174 -0.00114 46 4ZZ 0.00268 0.00031 0.00745 0.00136 0.00012 47 4XY 0.00063 -0.00346 0.00146 0.00185 0.00197 48 4XZ 0.00617 -0.00684 0.00526 -0.00238 0.00019 49 4YZ 0.00426 -0.00133 0.00493 -0.00314 -0.00256 50 4 C 1S 0.04322 0.07126 -0.06521 -0.00522 -0.07637 51 2S -0.08640 -0.13937 0.13312 0.01164 0.15535 52 2PX 0.00956 -0.04168 -0.03926 -0.03117 -0.03566 53 2PY 0.00431 0.01545 -0.01960 -0.04207 -0.09492 54 2PZ 0.03701 -0.11500 -0.06021 -0.09869 -0.04133 55 3S -0.05868 -0.13344 0.08991 0.01000 0.16171 56 3PX 0.00693 -0.00676 -0.01978 -0.00530 -0.01611 57 3PY 0.00953 0.00467 -0.02653 -0.01416 -0.03528 58 3PZ 0.00662 -0.01564 -0.01299 -0.02823 -0.02072 59 4XX 0.00417 0.00356 -0.00478 -0.00046 -0.00623 60 4YY -0.00039 0.00061 0.00206 -0.00150 0.00478 61 4ZZ -0.00189 0.00422 -0.00407 0.00426 -0.00668 62 4XY -0.00045 -0.00584 0.00027 0.00008 0.00461 63 4XZ -0.00001 -0.00257 0.00060 -0.00063 -0.00371 64 4YZ 0.00359 -0.00589 -0.00572 -0.00468 -0.00333 65 5 C 1S 0.05284 -0.08131 -0.02427 -0.06411 0.03765 66 2S -0.11070 0.16602 0.04176 0.13759 -0.07661 67 2PX -0.04657 -0.02106 -0.08652 -0.02405 0.09020 68 2PY 0.04853 0.04038 -0.01985 -0.11921 -0.11949 69 2PZ -0.00092 -0.03130 0.12247 -0.05650 0.06908 70 3S -0.10182 0.16544 0.09171 0.13297 -0.10529 71 3PX -0.00702 -0.00229 -0.01246 -0.02946 0.03549 72 3PY 0.01117 0.01204 0.01225 -0.03531 -0.03958 73 3PZ -0.00644 0.00803 0.05256 -0.02193 0.02029 74 4XX 0.00109 -0.00389 -0.01210 -0.00099 0.00198 75 4YY 0.00478 0.00050 0.00489 -0.00532 -0.00301 76 4ZZ -0.00309 -0.00520 0.00238 0.00115 0.00624 77 4XY -0.00389 0.00185 -0.00302 0.00288 0.00315 78 4XZ 0.00260 -0.00089 0.00852 0.00488 -0.00193 79 4YZ 0.00104 0.00718 -0.00126 -0.00024 -0.00777 80 6 C 1S -0.05739 -0.01331 -0.02017 0.06439 0.05215 81 2S 0.11641 0.02924 0.04305 -0.13066 -0.11075 82 2PX -0.09876 0.12414 0.05533 -0.10005 -0.03809 83 2PY 0.01628 -0.07900 -0.02679 -0.08130 0.09521 84 2PZ -0.05619 0.03408 0.04278 -0.11690 0.04589 85 3S 0.07762 0.01273 0.01825 -0.12596 -0.09144 86 3PX 0.01190 0.02003 -0.00341 -0.03230 -0.02185 87 3PY -0.01666 -0.01653 0.00777 -0.00506 0.01184 88 3PZ 0.00264 0.00222 0.01046 -0.02883 -0.00418 89 4XX 0.00287 -0.00162 -0.00392 0.00376 0.00558 90 4YY -0.00927 0.00373 0.00350 0.00536 -0.00216 91 4ZZ -0.00388 -0.00086 -0.00218 0.00072 0.00536 92 4XY -0.00129 -0.00223 0.00074 -0.00391 0.00386 93 4XZ 0.00499 -0.00144 0.00016 -0.00417 0.00419 94 4YZ -0.00347 0.00273 0.00036 -0.00388 -0.00240 95 7 C 1S 0.05937 -0.01126 -0.00949 0.06531 -0.05677 96 2S -0.12004 0.02220 0.02016 -0.13228 0.11968 97 2PX 0.02080 0.07902 -0.03225 0.06277 0.08762 98 2PY -0.11538 -0.12693 0.00442 0.13213 -0.03026 99 2PZ -0.03219 -0.00362 -0.05046 0.09812 0.05326 100 3S -0.08334 0.02302 0.01854 -0.12471 0.09695 101 3PX -0.01704 0.01868 0.00046 0.00627 0.01150 102 3PY 0.01646 -0.03342 -0.00655 0.04184 -0.02746 103 3PZ -0.00464 -0.00417 -0.01073 0.02586 -0.00263 104 4XX 0.00832 0.00316 -0.00189 0.00572 0.00233 105 4YY -0.00455 -0.00348 0.00143 0.00294 -0.00807 106 4ZZ 0.00651 0.00068 -0.00174 0.00109 -0.00417 107 4XY 0.00202 -0.00164 0.00187 -0.00353 -0.00224 108 4XZ 0.00292 0.00280 -0.00305 -0.00322 0.00345 109 4YZ -0.00215 -0.00010 0.00482 -0.00478 -0.00326 110 8 C 1S -0.04824 -0.07428 0.06039 -0.04886 -0.03351 111 2S 0.09258 0.14569 -0.12441 0.09837 0.06704 112 2PX 0.04848 -0.00763 0.04013 0.11878 -0.06505 113 2PY -0.04295 0.04971 0.02835 0.04491 0.14346 114 2PZ -0.00631 -0.02615 -0.11819 0.04328 -0.04991 115 3S 0.12552 0.15769 -0.11614 0.11758 0.08943 116 3PX 0.01163 0.00267 0.01110 0.05037 -0.02436 117 3PY -0.02214 0.00394 0.00191 0.02820 0.06203 118 3PZ -0.01232 -0.01614 -0.04047 0.01529 -0.01731 119 4XX -0.00211 0.00033 0.00487 -0.00282 0.00353 120 4YY -0.00241 -0.00829 -0.00590 -0.00114 -0.00565 121 4ZZ 0.00228 0.00159 0.00453 0.00187 -0.00082 122 4XY 0.00355 0.00021 -0.00422 0.00116 -0.00401 123 4XZ -0.00358 0.00433 -0.00580 -0.00464 0.00651 124 4YZ 0.00186 0.00277 0.00246 0.00552 0.00288 125 9 C 1S -0.01963 0.07581 0.06931 0.03459 0.07312 126 2S 0.03889 -0.14915 -0.14067 -0.07103 -0.15014 127 2PX 0.03124 0.03660 -0.04367 0.04458 -0.06358 128 2PY 0.04632 0.11192 -0.07584 0.04057 -0.02760 129 2PZ 0.01231 0.00820 -0.07317 0.01243 -0.09849 130 3S 0.01489 -0.13768 -0.11523 -0.04992 -0.14280 131 3PX 0.00604 0.00164 -0.01621 0.00788 -0.02261 132 3PY 0.00368 0.02006 -0.02096 0.01173 -0.00900 133 3PZ 0.01225 -0.00032 -0.03157 -0.00874 -0.03779 134 4XX -0.00120 0.00483 0.00670 0.00252 0.00499 135 4YY 0.00164 0.00647 -0.00309 0.00380 0.00685 136 4ZZ -0.00144 -0.00270 0.00158 -0.00107 -0.00381 137 4XY 0.00107 -0.00224 -0.00008 0.00277 0.00082 138 4XZ -0.00200 -0.00472 -0.00107 -0.00349 -0.00132 139 4YZ -0.00411 -0.00414 0.00615 0.00071 0.00709 140 10 H 1S -0.03101 -0.05947 0.06151 0.02039 0.11585 141 2S -0.00670 -0.02015 0.01778 0.01058 0.05835 142 11 H 1S -0.03822 0.06212 0.00361 0.10497 -0.04079 143 2S -0.00818 0.02233 0.00424 0.04284 -0.01285 144 12 H 1S 0.03087 0.05649 -0.06804 0.09050 0.03463 145 2S 0.00552 0.02126 -0.02813 0.03570 0.01049 146 13 H 1S 0.01490 -0.06411 -0.07743 -0.02471 -0.11392 147 2S 0.00143 -0.02191 -0.02984 -0.00530 -0.05804 148 14 C 1S -0.10917 0.08235 0.04597 -0.05880 -0.05387 149 2S 0.21158 -0.16129 -0.09120 0.11706 0.11011 150 2PX 0.03771 0.00349 0.01522 -0.04621 -0.09650 151 2PY -0.01375 -0.01865 -0.00566 -0.02383 0.05471 152 2PZ 0.01787 -0.00956 0.01154 -0.04573 -0.02699 153 3S 0.20236 -0.14125 -0.09100 0.10484 0.10540 154 3PX 0.00611 0.00603 0.00661 -0.01574 -0.04375 155 3PY -0.00145 -0.00805 -0.00588 -0.01373 0.02532 156 3PZ 0.00408 -0.00173 0.00228 -0.01763 -0.00972 157 4XX 0.00011 0.00218 0.00176 -0.00397 -0.00492 158 4YY -0.00097 -0.00060 -0.00080 0.00371 0.00390 159 4ZZ -0.00470 0.00319 0.00195 -0.00309 -0.00070 160 4XY -0.00388 0.00168 0.00084 -0.00265 0.00022 161 4XZ 0.00636 -0.00371 -0.00098 -0.00028 0.00013 162 4YZ 0.00481 -0.00513 -0.00360 0.00476 0.00622 163 15 H 1S 0.06309 -0.06887 -0.03965 0.04804 0.08875 164 2S 0.00984 -0.02480 -0.01183 0.02514 0.03567 165 16 H 1S 0.06785 -0.05329 -0.04027 0.07613 0.05894 166 2S 0.01589 -0.01692 -0.01595 0.03295 0.02771 167 17 C 1S 0.11323 0.08414 -0.01286 -0.06632 0.05873 168 2S -0.21915 -0.16524 0.02757 0.13307 -0.12042 169 2PX -0.01272 0.01778 -0.00907 0.01740 0.05319 170 2PY 0.04428 0.00064 -0.00081 0.05680 -0.10742 171 2PZ 0.00468 0.01026 -0.01312 0.03560 0.00053 172 3S -0.21128 -0.13601 0.02626 0.11535 -0.10997 173 3PX -0.00005 0.00945 -0.00743 0.00700 0.02530 174 3PY 0.00927 -0.00709 0.00320 0.02153 -0.04642 175 3PZ 0.00187 0.00251 -0.00261 0.01501 -0.00028 176 4XX 0.00353 0.00160 -0.00003 0.00173 -0.00194 177 4YY -0.00273 0.00051 0.00037 -0.00402 0.00487 178 4ZZ 0.00550 0.00299 0.00014 -0.00113 -0.00098 179 4XY 0.00307 0.00071 0.00017 -0.00176 -0.00134 180 4XZ -0.00696 -0.00654 0.00064 0.00688 -0.00749 181 4YZ -0.00354 -0.00232 0.00124 -0.00020 -0.00096 182 18 H 1S -0.06991 -0.05454 0.00411 0.08151 -0.06570 183 2S -0.01666 -0.01749 -0.00110 0.03500 -0.03111 184 19 H 1S -0.06514 -0.06950 0.01422 0.05506 -0.09377 185 2S -0.00990 -0.02460 0.00102 0.02597 -0.03942 26 27 28 29 30 O O O O O Eigenvalues -- -0.52662 -0.50801 -0.48794 -0.48372 -0.45502 1 1 S 1S -0.00624 0.01412 -0.01454 -0.00489 0.00452 2 2S 0.02788 -0.06384 0.06331 0.02095 -0.02050 3 2PX 0.02447 -0.02461 0.01415 0.05646 -0.05133 4 2PY 0.00386 -0.04525 0.01975 -0.04758 0.00220 5 2PZ -0.02209 -0.09753 -0.02254 -0.05440 -0.02630 6 3S -0.06653 0.15011 -0.16354 -0.05597 0.04881 7 3PX -0.06100 0.06148 -0.03452 -0.14459 0.13335 8 3PY -0.01147 0.11741 -0.05263 0.12399 -0.00632 9 3PZ 0.05635 0.24774 0.05934 0.13943 0.06836 10 4S -0.04127 0.07968 -0.05856 -0.01284 0.02247 11 4PX -0.00973 0.00417 -0.00336 -0.04662 0.04139 12 4PY 0.00068 0.00721 0.00445 0.03984 -0.01829 13 4PZ 0.00980 0.05843 0.00617 0.03036 0.02165 14 5XX 0.01228 -0.00186 -0.00202 0.01847 -0.01270 15 5YY 0.00053 0.00126 0.00063 -0.00678 0.01005 16 5ZZ -0.00938 -0.01103 0.01119 -0.00766 -0.00360 17 5XY 0.00593 -0.01184 0.00655 -0.01897 0.00714 18 5XZ -0.00885 -0.02947 -0.00263 -0.00718 -0.01104 19 5YZ -0.00963 -0.01296 0.00973 0.00329 -0.00093 20 2 O 1S -0.01948 0.02511 -0.03757 0.00518 0.00121 21 2S 0.04189 -0.05404 0.08080 -0.00911 -0.00626 22 2PX -0.00828 0.01658 0.00219 -0.07055 0.06543 23 2PY 0.04203 -0.02715 0.10984 0.02730 0.00309 24 2PZ -0.00745 0.10374 -0.03512 0.06418 0.03393 25 3S 0.07583 -0.09381 0.14408 -0.03147 0.00899 26 3PX -0.00307 0.01189 0.00124 -0.04108 0.03951 27 3PY 0.01761 -0.00783 0.05233 0.02072 0.00010 28 3PZ -0.00143 0.05490 -0.01502 0.03509 0.02316 29 4XX -0.00070 0.00096 -0.00158 0.00238 -0.00238 30 4YY -0.00403 -0.00116 -0.00840 -0.00343 -0.00277 31 4ZZ -0.00104 0.00657 -0.00149 0.00524 0.00073 32 4XY 0.00088 -0.00197 0.00017 0.00514 -0.00525 33 4XZ -0.00054 0.00011 0.00013 -0.00302 0.00200 34 4YZ 0.00036 -0.00739 0.00306 -0.00386 -0.00215 35 3 O 1S 0.01602 0.01235 -0.02210 -0.00110 -0.01089 36 2S -0.03503 -0.02288 0.04769 0.00548 0.02368 37 2PX -0.06780 -0.23714 0.04931 -0.17469 -0.01050 38 2PY -0.01241 -0.14816 -0.02825 0.07261 -0.12620 39 2PZ 0.10702 0.03174 0.01381 0.01018 -0.00427 40 3S -0.06691 -0.06800 0.09785 -0.00329 0.04705 41 3PX -0.03438 -0.12750 0.03029 -0.10177 0.00222 42 3PY -0.00812 -0.08400 -0.01864 0.04759 -0.08322 43 3PZ 0.06154 0.01729 0.01371 0.00540 0.00422 44 4XX -0.00461 0.00262 -0.00519 -0.00156 -0.00032 45 4YY -0.00291 -0.00458 -0.00300 0.00129 -0.00603 46 4ZZ 0.00906 0.00366 0.00137 -0.00053 0.00162 47 4XY -0.00352 -0.00321 0.00033 -0.00942 0.00220 48 4XZ -0.00618 -0.00812 0.00073 -0.00677 0.00040 49 4YZ 0.00081 -0.00491 -0.00187 0.00562 -0.00665 50 4 C 1S 0.01412 0.00840 -0.03399 -0.02206 -0.01013 51 2S -0.02716 -0.01378 0.06800 0.04856 0.01998 52 2PX 0.08124 0.06323 -0.04145 0.04060 0.11550 53 2PY 0.21567 -0.03748 -0.07974 -0.07620 0.17128 54 2PZ -0.05650 0.01590 -0.06824 0.18488 0.05530 55 3S -0.05629 -0.03428 0.10704 0.04751 0.03405 56 3PX 0.02376 0.02053 -0.00507 0.01080 0.04878 57 3PY 0.05951 -0.02909 -0.01471 -0.03825 0.06279 58 3PZ -0.01685 0.00618 -0.02668 0.06970 0.00668 59 4XX 0.00039 0.00212 -0.00196 0.00010 0.00063 60 4YY -0.00254 -0.00338 0.00537 0.00384 -0.00686 61 4ZZ -0.00193 0.00341 -0.00711 -0.00558 -0.00025 62 4XY -0.00008 0.00268 0.00343 0.00331 0.00158 63 4XZ -0.00189 -0.00191 -0.00347 -0.00054 0.00028 64 4YZ 0.00032 0.00093 -0.00456 0.00150 0.00507 65 5 C 1S -0.00452 -0.00276 0.03163 0.02950 0.01520 66 2S 0.00157 0.00410 -0.06431 -0.06848 -0.03079 67 2PX 0.12422 0.18024 0.04169 0.06970 0.05155 68 2PY 0.05508 -0.05713 -0.00235 0.21726 -0.02519 69 2PZ 0.13528 -0.10044 0.10847 -0.05667 -0.00017 70 3S 0.03967 0.02193 -0.12250 -0.06409 -0.05709 71 3PX 0.06055 0.07394 0.00978 0.03103 0.00459 72 3PY 0.05399 -0.01466 -0.02504 0.09049 -0.01345 73 3PZ 0.07460 -0.02171 0.01412 -0.00950 -0.02980 74 4XX 0.00260 0.00996 0.00360 0.00874 0.00927 75 4YY -0.00775 -0.00479 0.00186 0.00343 -0.00862 76 4ZZ 0.00073 -0.00119 -0.00065 -0.00689 0.00401 77 4XY 0.00090 0.00554 -0.00521 -0.00013 -0.00728 78 4XZ 0.00019 -0.00660 -0.00338 -0.00814 0.00168 79 4YZ -0.00156 -0.00033 -0.00781 -0.00559 -0.00226 80 6 C 1S 0.03489 0.00570 -0.05981 -0.02339 -0.02108 81 2S -0.07107 -0.00845 0.12478 0.05128 0.04538 82 2PX 0.04430 0.01266 -0.10391 0.04247 -0.20267 83 2PY -0.01678 0.17611 0.07594 -0.06214 0.00717 84 2PZ 0.03015 0.05043 -0.00249 -0.10269 -0.11530 85 3S -0.07597 -0.01201 0.14907 0.03986 0.02472 86 3PX -0.00925 -0.02631 0.05093 0.03418 -0.03235 87 3PY 0.01012 0.05912 -0.00089 -0.02113 -0.00399 88 3PZ 0.00878 -0.00603 0.04705 -0.03117 -0.00658 89 4XX 0.00514 0.00187 -0.00212 0.00446 -0.00117 90 4YY -0.00080 0.00083 -0.00537 -0.00752 -0.00377 91 4ZZ 0.00125 0.00103 -0.00598 -0.00313 -0.00058 92 4XY -0.00345 0.00082 -0.00284 -0.00060 0.00087 93 4XZ 0.00151 -0.00145 0.00042 -0.00058 0.00158 94 4YZ -0.00549 0.00362 -0.00420 -0.00106 -0.00169 95 7 C 1S 0.03296 -0.02144 0.05962 0.02699 -0.00887 96 2S -0.06826 0.04610 -0.12527 -0.06011 0.02411 97 2PX 0.01371 -0.10592 -0.07270 0.12635 -0.00628 98 2PY -0.04862 0.03668 -0.06523 -0.02300 0.16591 99 2PZ -0.00984 -0.12354 -0.07217 -0.01921 0.09923 100 3S -0.07703 0.05856 -0.13797 -0.06080 -0.03231 101 3PX -0.00271 -0.02584 -0.04299 0.03291 -0.02913 102 3PY 0.00990 0.00179 0.06891 0.01847 0.07261 103 3PZ -0.00272 -0.03911 0.00655 -0.02035 0.03765 104 4XX -0.00050 0.00085 0.00783 0.00410 -0.00148 105 4YY 0.00621 -0.00371 0.00032 -0.00168 -0.00013 106 4ZZ -0.00097 -0.00090 0.00694 0.00212 -0.00088 107 4XY -0.00348 0.00024 0.00304 0.00142 0.00312 108 4XZ -0.00445 -0.00046 0.00516 -0.00271 0.00091 109 4YZ -0.00116 0.00151 -0.00066 0.00467 -0.00031 110 8 C 1S 0.00123 0.02281 -0.04497 0.00350 0.00966 111 2S -0.00974 -0.05084 0.09262 -0.01251 -0.02377 112 2PX -0.04330 0.12020 0.13816 0.06314 0.01266 113 2PY -0.13099 -0.03710 -0.00437 0.13477 0.00680 114 2PZ -0.09315 -0.06639 0.11653 -0.12008 0.00942 115 3S 0.02111 -0.04869 0.14237 0.02418 -0.00778 116 3PX -0.04229 0.05613 0.05500 0.00803 0.00068 117 3PY -0.06987 -0.02036 -0.01146 0.04993 0.03094 118 3PZ -0.07263 -0.03317 0.03472 -0.07043 -0.00731 119 4XX -0.00284 0.00216 -0.00322 0.00021 0.00168 120 4YY 0.00193 -0.00111 -0.00291 -0.00418 0.00769 121 4ZZ -0.00379 0.00392 0.00244 0.00605 -0.00699 122 4XY 0.00211 -0.00122 0.00861 -0.00081 -0.00147 123 4XZ -0.00270 -0.00630 0.00328 -0.00052 -0.00285 124 4YZ 0.00175 -0.00177 0.00948 0.00179 0.00407 125 9 C 1S 0.00602 -0.01161 0.03995 0.00996 -0.01042 126 2S -0.01401 0.02385 -0.08526 -0.01714 0.01919 127 2PX -0.02572 0.05198 0.03274 -0.05798 -0.06187 128 2PY 0.08446 -0.06680 0.07749 -0.18422 -0.03947 129 2PZ -0.20270 0.02973 -0.05755 -0.02289 -0.19362 130 3S -0.02944 0.03509 -0.10467 -0.04336 0.02707 131 3PX -0.00501 0.02011 0.00934 -0.01110 -0.01156 132 3PY 0.02556 -0.02457 0.02664 -0.06365 -0.00037 133 3PZ -0.06582 0.00810 -0.02371 0.01309 -0.07210 134 4XX -0.00134 -0.00086 0.00336 0.00236 -0.00097 135 4YY -0.00421 -0.00394 0.00666 -0.00071 -0.00378 136 4ZZ -0.00021 0.00372 -0.00550 0.00073 -0.00218 137 4XY -0.00049 0.00104 0.00529 0.00196 0.00173 138 4XZ -0.00210 -0.00224 -0.00317 0.00043 -0.00050 139 4YZ 0.00018 -0.00025 0.00413 0.00438 0.00680 140 10 H 1S -0.13511 0.00086 0.08115 0.07125 -0.10378 141 2S -0.08998 -0.00452 0.05796 0.04132 -0.08228 142 11 H 1S -0.08843 0.01191 -0.08804 -0.09511 -0.02249 143 2S -0.03884 0.00904 -0.07019 -0.05589 -0.02645 144 12 H 1S -0.08298 -0.02900 0.12964 0.01247 0.00043 145 2S -0.03027 -0.01907 0.08867 0.01907 -0.00075 146 13 H 1S -0.11912 0.04450 -0.08295 0.00291 -0.09761 147 2S -0.07770 0.02767 -0.05027 -0.00543 -0.07704 148 14 C 1S -0.03155 0.00094 0.01924 -0.00142 0.00005 149 2S 0.06537 -0.00120 -0.04133 0.00276 0.00025 150 2PX -0.11419 -0.00759 0.17496 0.05233 0.21584 151 2PY 0.04547 0.12675 0.04415 -0.07896 -0.12386 152 2PZ -0.04696 0.05312 0.15386 -0.04642 0.07665 153 3S 0.06345 -0.02852 0.00754 0.01967 0.01688 154 3PX -0.04180 -0.00966 0.07967 0.02110 0.08122 155 3PY 0.01221 0.05626 0.01943 -0.03407 -0.05184 156 3PZ -0.02205 0.01737 0.06807 -0.02204 0.02364 157 4XX -0.00380 0.00089 0.00530 0.00285 0.00351 158 4YY 0.00527 -0.00006 -0.00739 -0.00271 -0.00968 159 4ZZ -0.00061 -0.00127 -0.00134 -0.00093 -0.00013 160 4XY -0.00104 0.00007 -0.00184 0.00148 0.00190 161 4XZ -0.00163 -0.00140 0.00245 0.00048 0.00446 162 4YZ 0.00492 0.00077 -0.00810 -0.00005 -0.00589 163 15 H 1S 0.07850 0.06240 -0.03493 -0.05601 -0.12578 164 2S 0.05005 0.03903 -0.02336 -0.04055 -0.09996 165 16 H 1S 0.05284 -0.05894 -0.13383 0.03122 -0.03765 166 2S 0.02440 -0.03413 -0.09141 0.01313 -0.03593 167 17 C 1S -0.03000 0.01501 -0.01113 -0.00988 0.00146 168 2S 0.06128 -0.03046 0.02268 0.02149 -0.00257 169 2PX -0.04004 -0.07545 -0.09098 0.07679 0.12340 170 2PY 0.11537 -0.07281 0.15731 0.10956 -0.17311 171 2PZ 0.01061 -0.10768 -0.01259 0.06515 0.05225 172 3S 0.06023 -0.03656 -0.02787 0.01240 -0.02373 173 3PX -0.01183 -0.03350 -0.03819 0.03656 0.05310 174 3PY 0.04236 -0.02639 0.07137 0.04629 -0.05183 175 3PZ 0.00650 -0.04457 -0.00922 0.03117 0.02472 176 4XX 0.00313 -0.00111 0.00479 0.00324 -0.00632 177 4YY -0.00419 0.00191 -0.00599 -0.00397 0.00404 178 4ZZ 0.00126 -0.00121 0.00275 0.00319 -0.00279 179 4XY 0.00006 -0.00141 0.00099 0.00039 0.00234 180 4XZ 0.00539 -0.00360 0.00606 0.00281 -0.00488 181 4YZ -0.00057 0.00051 -0.00120 0.00278 0.00256 182 18 H 1S 0.05023 -0.09336 0.03054 0.08964 0.00255 183 2S 0.02426 -0.05524 0.02990 0.05689 -0.00359 184 19 H 1S 0.07276 0.02241 0.09528 -0.00798 -0.12412 185 2S 0.04562 0.01554 0.06454 -0.00419 -0.09484 31 32 33 34 35 O O O O O Eigenvalues -- -0.44094 -0.42962 -0.42016 -0.41298 -0.39875 1 1 S 1S 0.01114 0.00339 0.00120 0.00571 0.00089 2 2S -0.04718 -0.01403 -0.00593 -0.02785 -0.00797 3 2PX -0.10286 -0.04322 0.03646 -0.09533 -0.03983 4 2PY -0.07896 -0.00307 0.03094 0.05707 0.07288 5 2PZ 0.04113 0.02085 -0.01809 -0.06759 -0.05773 6 3S 0.13443 0.04171 0.01013 0.05373 -0.00669 7 3PX 0.26794 0.11364 -0.09675 0.24905 0.10378 8 3PY 0.20940 0.00864 -0.08218 -0.15187 -0.19497 9 3PZ -0.11029 -0.05496 0.04818 0.17890 0.15322 10 4S 0.02020 -0.00338 0.01724 0.07058 0.08355 11 4PX 0.07836 0.04283 -0.03103 0.09432 0.04721 12 4PY 0.01622 0.00131 -0.02207 -0.03858 -0.01445 13 4PZ -0.02333 0.00919 0.01170 0.04522 0.02350 14 5XX -0.02575 -0.00699 0.01306 -0.00412 -0.00199 15 5YY 0.01270 0.01025 -0.00007 0.00725 -0.01052 16 5ZZ -0.00219 -0.00782 -0.01104 -0.00890 0.01420 17 5XY -0.00402 0.01365 -0.00172 0.02314 0.00327 18 5XZ -0.00422 0.00966 -0.00532 -0.02351 -0.00606 19 5YZ -0.01904 -0.00080 0.00398 0.01122 0.03944 20 2 O 1S 0.05970 0.01070 -0.01580 -0.02741 -0.03614 21 2S -0.12505 -0.02373 0.03081 0.05401 0.07396 22 2PX 0.10845 0.06264 -0.04440 0.17886 0.07470 23 2PY -0.25422 -0.05313 0.08054 0.15210 0.24489 24 2PZ 0.09604 0.01870 -0.01950 0.00465 -0.04327 25 3S -0.24872 -0.03824 0.07556 0.12809 0.14845 26 3PX 0.06341 0.03789 -0.02564 0.11416 0.04525 27 3PY -0.12824 -0.02957 0.04174 0.08150 0.13858 28 3PZ 0.04607 0.00963 -0.00491 0.01398 -0.01577 29 4XX 0.00045 -0.00078 -0.00072 -0.00324 -0.00119 30 4YY 0.01750 0.00361 -0.00647 -0.01312 -0.01677 31 4ZZ 0.00421 0.00005 -0.00163 0.00052 0.00103 32 4XY -0.00830 -0.00454 0.00295 -0.01369 -0.00607 33 4XZ 0.00414 0.00219 -0.00211 0.00576 0.00241 34 4YZ -0.00723 -0.00112 0.00142 0.00038 0.00463 35 3 O 1S -0.02406 0.00975 0.01511 -0.01437 -0.01244 36 2S 0.05710 -0.02677 -0.03156 0.03013 0.02885 37 2PX -0.07457 -0.04453 0.03478 0.02036 0.14105 38 2PY -0.08195 0.00700 -0.05056 -0.21174 -0.04560 39 2PZ -0.18584 0.14805 0.08772 0.03781 -0.11279 40 3S 0.08516 -0.01420 -0.06938 0.06647 0.03754 41 3PX -0.03243 -0.02454 0.01773 0.02078 0.09872 42 3PY -0.04441 0.01082 -0.03685 -0.14131 -0.03882 43 3PZ -0.12155 0.10101 0.05742 0.03109 -0.08091 44 4XX 0.00673 -0.00326 -0.00089 -0.00010 0.00524 45 4YY 0.00027 -0.00529 -0.00016 -0.01177 -0.00214 46 4ZZ -0.01197 0.00691 0.00766 0.00332 -0.00546 47 4XY 0.00139 -0.00318 0.00290 -0.00007 0.00173 48 4XZ -0.00066 -0.00800 0.00197 0.00165 0.00966 49 4YZ -0.00662 0.00095 -0.00018 -0.00778 -0.00295 50 4 C 1S -0.01050 -0.00101 0.02207 0.00782 -0.00050 51 2S 0.02075 0.00314 -0.04285 -0.02399 -0.00026 52 2PX -0.01576 -0.01946 -0.00142 -0.03954 0.06163 53 2PY 0.01666 0.07228 -0.04649 -0.13695 0.13554 54 2PZ 0.07961 -0.12710 -0.06595 -0.03545 0.16575 55 3S 0.04376 0.02661 -0.08521 -0.00996 -0.03261 56 3PX -0.01347 0.00663 0.00058 -0.00301 0.00999 57 3PY 0.02172 0.03398 -0.03651 -0.04081 0.03514 58 3PZ 0.02231 -0.01589 -0.02306 -0.01535 0.06735 59 4XX -0.00276 -0.00175 0.00226 0.00031 0.00071 60 4YY 0.00382 -0.00452 -0.00340 0.00463 -0.00898 61 4ZZ -0.00271 0.00501 0.00582 -0.00344 0.00228 62 4XY -0.00023 -0.00603 -0.00007 0.00116 -0.00493 63 4XZ -0.00061 -0.00167 -0.00017 -0.00368 0.00647 64 4YZ 0.00392 -0.01005 -0.00004 -0.00333 0.00599 65 5 C 1S 0.01637 -0.02762 -0.00680 0.02389 -0.01259 66 2S -0.03064 0.06599 0.01295 -0.04930 0.02170 67 2PX 0.02342 0.10890 0.00842 0.06034 -0.16107 68 2PY 0.01710 0.12532 -0.14079 0.02435 0.02993 69 2PZ -0.05089 0.24315 -0.04681 0.02691 -0.07872 70 3S -0.08798 0.09921 -0.00043 -0.09464 0.08096 71 3PX 0.02220 0.03127 0.01274 0.03686 -0.04616 72 3PY -0.01576 0.04131 -0.07752 -0.00538 0.02337 73 3PZ -0.05177 0.10226 -0.00890 0.01102 -0.02427 74 4XX 0.00003 0.00183 0.00140 0.00630 -0.00856 75 4YY -0.00203 -0.00163 -0.00094 0.00120 0.00100 76 4ZZ 0.00559 -0.00598 -0.00091 -0.00527 0.00561 77 4XY -0.00107 -0.00499 0.00315 -0.00634 -0.00246 78 4XZ -0.00930 -0.00669 0.00600 -0.00574 0.00368 79 4YZ 0.00167 -0.00858 0.00373 0.00059 0.01194 80 6 C 1S -0.01205 -0.01157 -0.00803 -0.01526 -0.00224 81 2S 0.02224 0.02328 0.01822 0.03628 0.00518 82 2PX 0.00415 0.07083 -0.10271 0.07039 0.11552 83 2PY 0.02506 -0.06278 0.09088 -0.00333 -0.04928 84 2PZ 0.05843 0.05367 0.00114 0.08010 0.06632 85 3S 0.06213 0.08149 0.01345 0.06988 0.02454 86 3PX 0.05738 0.00542 0.02307 0.01400 -0.00659 87 3PY -0.03057 0.01127 -0.00592 -0.02901 -0.00442 88 3PZ 0.05378 0.02757 0.02704 0.01990 0.00879 89 4XX 0.00005 0.00183 0.00351 0.00064 -0.00362 90 4YY -0.00477 0.00365 -0.00454 -0.00514 0.00716 91 4ZZ 0.00158 -0.00466 -0.00143 0.00584 -0.00189 92 4XY -0.00270 -0.00823 -0.00227 0.00726 -0.00252 93 4XZ 0.00104 -0.00209 0.00159 0.00737 -0.00311 94 4YZ -0.00163 -0.00428 -0.00334 0.00367 0.00184 95 7 C 1S 0.01395 0.00516 0.00110 -0.01927 0.00040 96 2S -0.02607 -0.00685 -0.00288 0.04557 0.00335 97 2PX 0.02830 -0.04597 0.10229 -0.02448 0.01380 98 2PY -0.18946 0.07092 -0.10656 -0.13355 -0.03884 99 2PZ 0.03398 0.02216 0.02722 -0.02931 -0.04393 100 3S -0.03411 -0.06211 0.00658 0.08948 -0.00326 101 3PX -0.01942 0.01648 0.00133 -0.01475 0.01513 102 3PY -0.00789 -0.00037 0.04638 -0.02818 -0.04578 103 3PZ 0.03537 0.02784 0.00936 0.00573 -0.01232 104 4XX 0.00178 -0.00391 0.00250 -0.00362 0.00174 105 4YY -0.00017 0.00048 -0.00207 0.00344 -0.00085 106 4ZZ 0.00371 0.00332 0.00094 -0.00019 0.00050 107 4XY 0.00199 0.00867 0.00459 0.00145 0.00367 108 4XZ 0.00574 0.00046 0.00111 0.00154 0.00171 109 4YZ -0.00130 0.00771 0.00353 0.00326 0.00306 110 8 C 1S -0.01243 0.03030 0.01230 0.00613 0.00874 111 2S 0.02594 -0.06603 -0.02553 -0.01308 -0.01793 112 2PX -0.11986 0.09401 -0.10677 -0.04734 0.09875 113 2PY 0.03688 0.14273 -0.04159 -0.05868 0.16497 114 2PZ 0.04691 0.16221 -0.15024 -0.03922 -0.01901 115 3S 0.06013 -0.12732 -0.00904 -0.01800 -0.05345 116 3PX -0.06025 0.03600 -0.07274 -0.01292 0.07110 117 3PY 0.01464 0.05871 -0.00825 -0.04188 0.08726 118 3PZ 0.01398 0.07229 -0.08550 -0.01896 -0.00095 119 4XX 0.00560 -0.00048 0.00081 0.00568 0.00654 120 4YY -0.00356 -0.00037 -0.00179 -0.00436 -0.00250 121 4ZZ -0.00584 0.00380 0.00062 -0.00269 0.00137 122 4XY 0.00576 0.00197 -0.00881 -0.00454 0.00233 123 4XZ 0.00484 0.00611 -0.00405 -0.00048 0.00324 124 4YZ -0.00016 0.00623 -0.00849 -0.00277 0.00825 125 9 C 1S 0.00329 0.00947 -0.01065 0.01075 -0.00401 126 2S -0.00378 -0.02303 0.01528 -0.03123 0.00338 127 2PX -0.10150 0.03139 0.05526 0.06069 -0.10553 128 2PY 0.02428 -0.07364 0.00118 0.04133 -0.20168 129 2PZ -0.06991 0.17073 0.10191 0.08692 -0.07328 130 3S -0.03037 -0.03896 0.06642 -0.01855 0.03048 131 3PX -0.05154 0.02177 0.01956 0.01800 -0.04048 132 3PY 0.00846 -0.00118 0.00085 0.01178 -0.06446 133 3PZ -0.00851 0.06247 0.01858 0.01306 -0.04179 134 4XX 0.00073 0.00078 -0.00323 -0.00060 0.00243 135 4YY 0.00482 -0.00600 -0.00305 0.00193 -0.00591 136 4ZZ -0.00736 0.01063 0.00548 -0.00079 -0.00024 137 4XY -0.00146 -0.00248 -0.00459 -0.00165 0.00151 138 4XZ 0.00328 0.00533 -0.00119 -0.00241 0.00343 139 4YZ 0.00300 0.00157 -0.00773 -0.00430 0.00640 140 10 H 1S 0.01264 -0.05170 -0.00413 0.07974 -0.09005 141 2S 0.01233 -0.04424 -0.00344 0.07661 -0.08802 142 11 H 1S -0.01071 -0.15360 0.07241 -0.06002 0.08691 143 2S -0.01317 -0.13906 0.05201 -0.03112 0.07273 144 12 H 1S 0.01548 0.12080 -0.12511 -0.05857 0.07975 145 2S 0.01678 0.11402 -0.08458 -0.03625 0.06503 146 13 H 1S -0.06455 0.11166 0.08218 0.03749 -0.01495 147 2S -0.05465 0.10270 0.07173 0.04203 -0.01001 148 14 C 1S -0.00141 -0.00496 -0.00940 0.00133 0.01215 149 2S 0.00158 0.01325 0.01932 -0.00165 -0.02489 150 2PX -0.01502 -0.08197 0.07737 -0.04141 -0.12183 151 2PY 0.07969 0.08197 0.14214 -0.19071 0.14169 152 2PZ 0.05653 0.01648 0.15340 -0.13379 0.01601 153 3S 0.05061 -0.00449 0.07160 -0.00893 -0.06490 154 3PX 0.00909 -0.05237 0.03757 -0.02326 -0.05550 155 3PY 0.03436 0.02996 0.05574 -0.06650 0.05473 156 3PZ 0.03097 -0.00382 0.06613 -0.05082 -0.00142 157 4XX 0.00022 -0.00111 0.00240 -0.00310 -0.00053 158 4YY 0.00063 0.00400 -0.00193 -0.00184 0.00714 159 4ZZ -0.00064 -0.00076 -0.00380 0.00640 -0.00193 160 4XY -0.00304 -0.00443 -0.00629 0.01023 -0.00659 161 4XZ -0.00073 -0.00237 -0.00131 0.00473 -0.00493 162 4YZ -0.00129 -0.00041 -0.00508 0.00523 0.00000 163 15 H 1S 0.05141 0.07424 0.06803 -0.10779 0.11171 164 2S 0.03500 0.05111 0.03902 -0.09547 0.10284 165 16 H 1S -0.04872 -0.01899 -0.12967 0.14528 -0.04571 166 2S -0.03666 -0.02795 -0.10862 0.12266 -0.03345 167 17 C 1S 0.00367 0.00300 0.00591 -0.00179 0.00796 168 2S -0.00455 -0.00785 -0.01129 0.00474 -0.02024 169 2PX -0.00753 0.11572 0.19097 0.00264 -0.00114 170 2PY 0.17585 -0.07124 0.11220 0.08043 0.03937 171 2PZ 0.09984 0.08688 0.19826 0.05434 -0.00502 172 3S -0.04532 0.01443 -0.07206 -0.00687 0.00772 173 3PX -0.01146 0.04060 0.07479 -0.00224 0.00952 174 3PY 0.07207 -0.04759 0.06436 0.04783 -0.00501 175 3PZ 0.04267 0.02878 0.08383 0.02284 -0.01352 176 4XX 0.00468 -0.00404 -0.00007 0.00048 0.00163 177 4YY -0.00246 0.00178 -0.00235 -0.00078 -0.00159 178 4ZZ 0.00452 0.00043 0.00523 0.00200 0.00065 179 4XY 0.00337 0.00586 0.00901 0.00323 -0.00029 180 4XZ 0.00631 -0.00112 0.00274 0.00240 0.00055 181 4YZ -0.00105 0.00450 0.00720 0.00119 0.00088 182 18 H 1S 0.09212 0.05230 0.17530 0.05260 0.00491 183 2S 0.07549 0.05087 0.13866 0.04008 0.01576 184 19 H 1S 0.03055 -0.10180 -0.11128 0.00321 0.01005 185 2S 0.02987 -0.07670 -0.07934 -0.01030 0.01891 36 37 38 39 40 O O O O O Eigenvalues -- -0.37990 -0.36170 -0.35405 -0.32507 -0.29649 1 1 S 1S -0.00600 0.00617 0.00003 -0.00456 -0.00584 2 2S 0.02826 -0.02647 -0.00005 0.01760 0.03034 3 2PX 0.04717 -0.03832 0.00202 -0.05532 0.00869 4 2PY -0.06006 0.05908 -0.03224 -0.00542 -0.01800 5 2PZ -0.00593 0.03657 -0.08353 0.01848 0.03021 6 3S -0.06078 0.07174 -0.00079 -0.05996 -0.05004 7 3PX -0.12414 0.10106 -0.00627 0.15010 -0.02113 8 3PY 0.16165 -0.15937 0.08541 0.01626 0.04655 9 3PZ 0.01574 -0.09825 0.22510 -0.04918 -0.08360 10 4S -0.07089 0.02172 0.00360 0.00306 -0.13750 11 4PX -0.04793 0.05905 0.00652 0.05808 0.00329 12 4PY 0.01867 -0.03291 0.04560 -0.01030 -0.00140 13 4PZ 0.01131 -0.02232 0.07662 -0.06613 0.06098 14 5XX -0.01297 0.02031 0.00253 -0.00690 -0.01356 15 5YY 0.03294 -0.00981 0.01704 -0.00906 0.08032 16 5ZZ -0.01584 -0.01408 -0.01752 0.01591 -0.06518 17 5XY -0.02123 0.02450 0.00035 -0.00437 0.03208 18 5XZ 0.00154 -0.00471 -0.00321 -0.01818 0.02432 19 5YZ 0.01844 -0.00552 0.02966 -0.00390 0.03404 20 2 O 1S 0.01477 -0.00964 -0.00305 0.00616 0.00343 21 2S -0.03155 0.01812 0.00716 -0.01457 -0.01390 22 2PX -0.12355 0.13789 0.01592 0.10016 0.00579 23 2PY -0.04888 0.01265 0.12799 -0.04195 0.02691 24 2PZ 0.14640 -0.13022 0.22294 -0.06023 0.36455 25 3S -0.05747 0.04969 0.00726 -0.03167 0.02685 26 3PX -0.08057 0.09294 0.01109 0.06216 0.00503 27 3PY -0.02024 -0.00144 0.08480 -0.02035 0.02346 28 3PZ 0.09883 -0.08266 0.15342 -0.03976 0.27184 29 4XX -0.00019 -0.00107 -0.00042 0.00062 -0.00424 30 4YY -0.00094 0.00234 -0.01320 0.00253 -0.01173 31 4ZZ 0.00668 -0.00791 0.01356 -0.00304 0.01125 32 4XY 0.00822 -0.00932 -0.00107 -0.00768 -0.00041 33 4XZ -0.00518 0.00425 0.00015 0.00269 -0.00099 34 4YZ -0.00855 0.00716 -0.01236 0.00381 -0.01810 35 3 O 1S -0.02308 0.03345 -0.03677 -0.01262 0.00175 36 2S 0.04926 -0.07399 0.07690 0.02723 -0.01168 37 2PX 0.14268 -0.08477 0.01120 0.09565 0.18209 38 2PY -0.16005 0.00769 0.00302 -0.07885 -0.09559 39 2PZ -0.02008 0.26635 -0.12539 -0.20829 0.29440 40 3S 0.10507 -0.13024 0.18902 0.03235 0.03615 41 3PX 0.09518 -0.05675 0.00973 0.06843 0.14737 42 3PY -0.11166 0.00528 -0.00004 -0.05855 -0.06780 43 3PZ -0.01130 0.19128 -0.07714 -0.15228 0.22991 44 4XX -0.00556 0.00157 -0.00322 0.00196 -0.00440 45 4YY -0.00248 -0.00414 -0.00529 -0.00003 -0.00923 46 4ZZ 0.00055 0.01412 -0.00778 -0.00878 0.01051 47 4XY 0.00706 -0.00126 -0.00378 -0.00055 0.00204 48 4XZ 0.00362 -0.00480 0.00061 0.00110 0.00722 49 4YZ -0.00684 0.00406 0.00076 -0.00905 0.00369 50 4 C 1S 0.00032 0.00869 0.00531 -0.00998 0.00760 51 2S 0.00063 -0.01644 -0.01802 0.02529 -0.02039 52 2PX 0.01972 0.02355 -0.17045 0.02583 -0.01404 53 2PY 0.15683 -0.02090 -0.02170 0.00231 -0.03077 54 2PZ -0.09727 0.05451 -0.01976 -0.14462 0.09200 55 3S 0.01306 -0.03533 0.01529 0.04876 -0.02239 56 3PX 0.01419 0.02430 -0.08739 0.02644 0.00994 57 3PY 0.05537 -0.01533 0.02353 0.00046 -0.02033 58 3PZ -0.02149 0.03123 0.00099 -0.07215 0.05605 59 4XX -0.00102 -0.00072 -0.00281 0.00073 -0.00099 60 4YY -0.01431 -0.00233 0.00863 0.00015 0.00331 61 4ZZ 0.01141 0.00413 -0.00322 -0.00026 -0.00268 62 4XY -0.00721 0.00009 -0.00348 0.00096 0.00256 63 4XZ 0.00224 -0.00315 -0.00088 0.00199 -0.00293 64 4YZ -0.00124 0.00046 -0.00369 -0.00595 0.00506 65 5 C 1S 0.00608 -0.01633 0.00153 -0.00516 -0.00170 66 2S -0.00909 0.03434 0.00162 0.01202 -0.00026 67 2PX 0.00682 0.08359 -0.08911 -0.02277 -0.05552 68 2PY -0.17417 0.03871 0.13201 0.03356 0.03340 69 2PZ 0.13973 -0.05966 0.10664 0.13666 -0.08686 70 3S -0.05636 0.05380 -0.00391 0.03175 0.02297 71 3PX 0.00899 0.01995 -0.06096 0.00653 -0.01168 72 3PY -0.11397 0.01581 0.04622 0.01595 0.01540 73 3PZ 0.05055 -0.00934 0.02012 0.03083 -0.01417 74 4XX 0.00041 0.01063 0.00091 -0.01132 0.00257 75 4YY -0.00689 -0.00370 -0.00240 0.00575 0.00533 76 4ZZ 0.00644 -0.00814 -0.00039 0.00122 -0.00794 77 4XY -0.00579 0.00197 -0.00471 -0.00931 -0.00103 78 4XZ 0.00256 0.00410 -0.01239 0.00212 0.01108 79 4YZ 0.00096 -0.00112 -0.00402 -0.01032 0.00640 80 6 C 1S -0.00071 0.01569 0.01004 -0.00291 -0.00784 81 2S 0.00009 -0.02815 -0.02591 0.00852 0.02641 82 2PX -0.09883 -0.10942 -0.09812 0.09506 0.13116 83 2PY 0.03970 -0.05350 -0.21574 0.00859 0.04357 84 2PZ 0.06473 -0.12887 -0.03001 -0.22709 -0.11098 85 3S -0.01820 -0.10926 -0.04541 0.00419 -0.01149 86 3PX 0.00737 0.01061 -0.04308 0.07303 0.03388 87 3PY -0.05545 -0.03121 -0.09214 0.02080 0.01519 88 3PZ 0.04214 -0.01943 0.01017 -0.11105 -0.09201 89 4XX 0.00066 0.00620 0.00134 0.00169 -0.00478 90 4YY -0.00335 -0.00467 0.00391 0.00531 0.00487 91 4ZZ 0.00138 0.00087 -0.00512 -0.00650 0.00149 92 4XY 0.00690 -0.00575 -0.00949 -0.00249 -0.00113 93 4XZ 0.00727 0.00020 -0.00550 0.00457 0.00093 94 4YZ -0.00328 -0.00332 -0.00599 -0.00905 0.00031 95 7 C 1S -0.00431 -0.00026 0.01098 0.00334 0.00491 96 2S 0.00622 0.00509 -0.02718 0.00209 -0.01214 97 2PX 0.07017 0.16571 0.03715 0.24728 0.01279 98 2PY -0.11785 -0.05257 0.10433 0.10744 0.02928 99 2PZ -0.02738 0.16548 0.17679 -0.11994 -0.07204 100 3S 0.04434 -0.03113 -0.07599 -0.04778 -0.03373 101 3PX -0.01923 0.00756 0.00101 0.12751 -0.01571 102 3PY 0.00489 0.04619 -0.01189 0.05688 -0.00412 103 3PZ -0.03464 0.05185 0.06151 -0.08302 -0.08827 104 4XX 0.00889 0.00659 0.00082 -0.00216 -0.00848 105 4YY -0.00590 -0.00474 0.00578 0.00266 0.00111 106 4ZZ -0.00286 -0.00164 -0.00813 0.00193 0.00777 107 4XY 0.00034 -0.01161 -0.00644 -0.00507 0.00206 108 4XZ 0.00269 0.00342 -0.00635 0.00144 0.00153 109 4YZ -0.00410 -0.00989 -0.00531 -0.00553 -0.00168 110 8 C 1S 0.00642 -0.01829 0.00129 -0.01738 0.00937 111 2S -0.01376 0.03205 -0.00064 0.03550 -0.01407 112 2PX -0.01288 -0.18713 -0.07676 -0.03514 -0.07883 113 2PY 0.19147 0.17490 -0.07956 -0.00798 -0.04100 114 2PZ -0.07680 -0.04101 -0.09493 -0.09540 0.15799 115 3S -0.01403 0.14081 0.00047 0.08609 -0.08271 116 3PX -0.01297 -0.14373 -0.02532 0.00372 -0.09637 117 3PY 0.14134 0.05561 0.00829 0.00536 0.05251 118 3PZ -0.05826 -0.03970 -0.04328 -0.06060 0.06657 119 4XX 0.00374 0.00245 0.00421 -0.00795 -0.00598 120 4YY -0.00779 -0.00549 -0.00099 0.00497 0.00426 121 4ZZ 0.00633 -0.00191 -0.00350 -0.00032 -0.00096 122 4XY 0.00133 -0.00649 -0.00305 -0.00564 0.00678 123 4XZ 0.00394 0.00472 -0.01159 0.00403 0.00524 124 4YZ -0.00262 0.00106 -0.00875 -0.00864 -0.00203 125 9 C 1S -0.00060 0.00894 0.00050 -0.00159 -0.01301 126 2S -0.00479 -0.02264 -0.00347 0.00815 0.02820 127 2PX -0.03926 -0.07602 -0.03990 0.11267 -0.07409 128 2PY -0.14409 -0.08674 0.10761 0.02419 0.09311 129 2PZ 0.11902 0.06310 0.09391 0.02009 -0.04044 130 3S 0.02537 -0.05557 0.01714 0.00359 0.07289 131 3PX -0.01623 -0.03693 -0.03038 0.07422 -0.02984 132 3PY -0.01537 -0.04621 0.06169 0.00498 0.08355 133 3PZ 0.04401 0.03428 0.03921 0.00666 -0.00958 134 4XX -0.00086 -0.00204 0.00259 -0.00327 -0.00085 135 4YY -0.00859 0.00044 0.00001 -0.00095 0.00624 136 4ZZ 0.01250 0.00199 -0.00082 0.00723 -0.00788 137 4XY -0.00623 -0.00555 -0.00057 -0.00188 0.00325 138 4XZ 0.00690 0.00149 0.00156 -0.00045 -0.00066 139 4YZ -0.00230 0.00017 -0.00899 -0.00384 0.00360 140 10 H 1S -0.12654 0.00136 0.04668 -0.00642 0.02908 141 2S -0.12337 0.00130 0.05634 -0.00877 0.03588 142 11 H 1S -0.00396 0.00273 -0.09054 -0.07782 0.05878 143 2S -0.00399 -0.01285 -0.10342 -0.08465 0.06647 144 12 H 1S 0.02366 -0.00133 -0.11677 -0.05075 0.03283 145 2S 0.01862 -0.00282 -0.12793 -0.06080 0.05003 146 13 H 1S 0.11035 0.03769 0.03203 0.03908 -0.05946 147 2S 0.11112 0.03666 0.03453 0.04028 -0.07213 148 14 C 1S -0.00478 -0.01022 -0.00388 -0.00689 0.00738 149 2S 0.00916 0.02055 0.00778 0.01591 -0.01452 150 2PX 0.04585 0.10261 -0.01837 0.10226 0.03708 151 2PY -0.13388 0.02189 0.04522 0.10303 0.09361 152 2PZ 0.00140 0.07129 0.11951 -0.07852 -0.10523 153 3S 0.05609 0.07629 0.01663 0.03590 -0.04183 154 3PX 0.03296 0.07131 -0.01330 0.06090 0.02945 155 3PY -0.04201 -0.00538 0.00758 0.05906 0.06071 156 3PZ 0.02344 0.03560 0.05953 -0.06734 -0.07568 157 4XX -0.00254 0.00146 -0.00211 0.00735 0.00576 158 4YY -0.00399 -0.00189 0.00350 0.00014 0.00137 159 4ZZ 0.00462 -0.00415 -0.00265 -0.00901 -0.00482 160 4XY 0.00686 -0.00460 -0.01102 -0.00224 -0.00003 161 4XZ 0.00581 -0.00189 -0.00277 -0.00583 -0.00422 162 4YZ 0.00033 -0.00365 -0.00642 0.00014 0.00244 163 15 H 1S -0.08756 0.00649 0.06376 0.02834 0.02472 164 2S -0.08460 0.02183 0.07001 0.02532 0.02740 165 16 H 1S 0.05308 -0.06540 -0.07925 -0.03993 -0.00994 166 2S 0.05618 -0.06882 -0.08775 -0.05677 -0.00416 167 17 C 1S 0.01100 0.00722 -0.01318 -0.00318 0.00179 168 2S -0.02260 -0.01313 0.02529 0.01063 -0.00550 169 2PX -0.09609 -0.16690 -0.05431 0.09780 0.04682 170 2PY 0.12091 0.03679 -0.11299 0.02941 0.01358 171 2PZ -0.06283 -0.09523 -0.03264 -0.15515 -0.04332 172 3S -0.06338 -0.06675 0.08072 0.00670 0.01243 173 3PX -0.03140 -0.05575 -0.01595 0.06794 0.04980 174 3PY 0.06992 0.02834 -0.06190 0.01852 -0.00264 175 3PZ -0.01847 -0.01149 -0.00916 -0.09404 -0.02470 176 4XX 0.00642 0.00643 -0.00075 0.00320 -0.00044 177 4YY -0.00215 -0.00047 0.00177 -0.00449 -0.00160 178 4ZZ 0.00057 -0.00353 -0.00583 0.00170 0.00165 179 4XY -0.00609 -0.01321 -0.00507 -0.01017 -0.00069 180 4XZ 0.00179 0.00129 -0.00218 -0.00275 -0.00072 181 4YZ -0.00475 -0.01347 -0.00697 0.00352 0.00245 182 18 H 1S -0.03259 -0.11133 -0.07389 -0.02775 0.00435 183 2S -0.03127 -0.11735 -0.08478 -0.03541 0.00630 184 19 H 1S 0.09542 0.13511 0.02305 0.02107 -0.00824 185 2S 0.08546 0.14722 0.02557 0.03250 0.00319 41 42 43 44 45 O O O O V Eigenvalues -- -0.29244 -0.27495 -0.24871 -0.22646 -0.04540 1 1 S 1S 0.00496 -0.01491 -0.01061 0.00827 0.00152 2 2S -0.02297 0.06959 0.05395 -0.04277 -0.00763 3 2PX -0.02257 0.02379 0.04361 -0.08652 -0.00351 4 2PY 0.01408 -0.04455 -0.03314 0.04473 0.01582 5 2PZ -0.02224 0.02567 0.01430 0.03474 0.05928 6 3S 0.05125 -0.15956 -0.10132 0.07866 0.01501 7 3PX 0.05929 -0.06458 -0.12155 0.24293 0.00837 8 3PY -0.04134 0.11926 0.08787 -0.12330 -0.04334 9 3PZ 0.05891 -0.06988 -0.03648 -0.10390 -0.16974 10 4S 0.08134 -0.20072 -0.23649 0.19331 0.03186 11 4PX 0.05529 0.02131 0.00961 0.07322 0.03095 12 4PY 0.11782 0.08741 0.06012 -0.05945 -0.01812 13 4PZ 0.02825 -0.00512 -0.05731 0.01427 -0.21853 14 5XX 0.03368 0.00716 0.01053 0.00075 0.01715 15 5YY -0.02959 0.01720 -0.00462 0.00946 -0.00995 16 5ZZ -0.00436 -0.01232 0.00894 -0.02654 -0.00716 17 5XY 0.02209 0.05981 0.04892 -0.03606 -0.02408 18 5XZ 0.02175 -0.00152 -0.03585 0.04279 -0.02578 19 5YZ 0.03654 0.02063 -0.01409 0.01269 0.02717 20 2 O 1S 0.00050 0.00188 0.00253 0.00422 0.00773 21 2S 0.00452 -0.00020 -0.00376 -0.01793 -0.01396 22 2PX 0.17623 0.31019 0.28749 -0.22377 0.02514 23 2PY 0.18079 -0.00305 -0.13348 0.11875 0.08495 24 2PZ 0.09685 0.19718 -0.09341 0.12339 0.06564 25 3S -0.05433 -0.01945 -0.00985 -0.00636 -0.07415 26 3PX 0.11800 0.23266 0.21820 -0.18778 0.01811 27 3PY 0.12679 0.00049 -0.09424 0.09366 0.08319 28 3PZ 0.06166 0.14066 -0.06655 0.09815 0.07283 29 4XX 0.00444 -0.00194 -0.00104 0.00065 0.00474 30 4YY -0.00768 -0.00154 0.00967 -0.01100 -0.00104 31 4ZZ 0.01041 0.00926 -0.00498 0.00213 0.00414 32 4XY -0.01003 -0.01586 -0.01472 0.00847 -0.00078 33 4XZ 0.00613 0.00848 0.00564 -0.00476 -0.00109 34 4YZ -0.00323 -0.00966 0.00287 -0.00240 -0.00057 35 3 O 1S 0.00093 -0.01080 -0.01453 0.01252 0.02972 36 2S -0.00505 0.01047 0.02206 -0.02555 -0.05867 37 2PX -0.13630 0.08141 0.01703 -0.10761 0.05543 38 2PY 0.37014 0.22731 -0.05932 0.10947 -0.06595 39 2PZ -0.06598 -0.01028 0.15067 -0.01898 -0.05786 40 3S 0.03319 0.10819 0.13124 -0.06310 -0.24643 41 3PX -0.09259 0.07023 0.00226 -0.08958 0.06106 42 3PY 0.27799 0.16633 -0.04284 0.08287 -0.06085 43 3PZ -0.04111 0.01452 0.13666 -0.02276 -0.06572 44 4XX -0.00231 -0.00977 -0.00833 0.00783 0.01070 45 4YY 0.00792 -0.00001 -0.00797 0.00261 0.00606 46 4ZZ -0.00662 -0.00397 0.00377 -0.00403 -0.00031 47 4XY -0.00195 0.00043 0.00202 -0.00128 -0.00022 48 4XZ -0.00421 0.00187 -0.00010 -0.00324 -0.00079 49 4YZ 0.01159 0.00727 0.00485 -0.00048 -0.00278 50 4 C 1S -0.01850 0.00147 0.01268 0.00099 -0.00647 51 2S 0.05125 0.00120 -0.03260 -0.00203 0.03226 52 2PX -0.12782 0.23703 -0.14037 0.12259 0.02304 53 2PY 0.13234 -0.08264 0.02153 -0.05350 0.01074 54 2PZ -0.07439 -0.08035 0.11311 -0.02450 -0.03296 55 3S 0.05508 -0.04075 -0.05282 0.00247 0.02889 56 3PX -0.11076 0.15224 -0.09341 0.08927 0.03430 57 3PY 0.04976 -0.08242 0.02997 -0.03909 -0.04192 58 3PZ -0.05112 -0.06052 0.08927 0.00084 -0.01094 59 4XX -0.00696 0.00885 -0.00152 0.00281 -0.00592 60 4YY -0.00325 -0.00492 0.00169 0.00176 0.00339 61 4ZZ 0.00998 -0.00379 -0.00053 -0.00366 0.00541 62 4XY -0.00248 0.00389 -0.00065 0.00219 0.00328 63 4XZ -0.00157 0.00763 -0.00256 0.00083 -0.00675 64 4YZ 0.00316 -0.00435 0.00416 -0.00065 0.00393 65 5 C 1S 0.00263 -0.00112 0.00927 -0.00215 -0.01293 66 2S -0.00847 -0.00866 -0.02585 0.01030 0.01637 67 2PX 0.07170 -0.06385 -0.03923 0.05382 0.08769 68 2PY -0.17491 -0.02248 -0.01127 0.01112 0.01091 69 2PZ 0.04060 0.00073 -0.04208 -0.03463 -0.02242 70 3S -0.01927 0.04827 -0.03195 -0.00507 0.12269 71 3PX 0.01781 -0.03264 -0.03873 0.00187 0.13682 72 3PY -0.04009 0.03017 -0.02436 -0.01219 0.02383 73 3PZ 0.00594 0.02237 0.03722 -0.00406 0.00553 74 4XX -0.00951 -0.00522 0.00861 0.00300 -0.01144 75 4YY -0.00160 0.00530 -0.00644 -0.00111 0.00930 76 4ZZ 0.01125 -0.00368 -0.00236 -0.00109 -0.00217 77 4XY 0.01958 0.00092 0.00427 0.00067 -0.00254 78 4XZ -0.00079 0.01225 -0.00440 -0.00138 0.00873 79 4YZ -0.01032 -0.00008 0.00945 -0.00015 -0.00556 80 6 C 1S 0.02102 -0.00057 0.00274 -0.00047 -0.00184 81 2S -0.05372 0.01059 -0.00673 -0.00268 0.01449 82 2PX -0.04946 -0.02572 -0.07763 -0.08725 0.11964 83 2PY 0.22082 -0.04048 -0.04582 -0.06455 0.09290 84 2PZ -0.02793 0.05086 0.12490 0.11698 -0.17168 85 3S -0.08554 -0.03704 0.00327 -0.00763 -0.04620 86 3PX 0.03486 -0.01420 -0.06170 -0.04086 0.12219 87 3PY 0.11919 0.00116 -0.03234 -0.04961 0.08679 88 3PZ 0.00352 0.03582 0.07052 0.05629 -0.18720 89 4XX -0.00146 0.00388 0.00854 0.01133 0.02165 90 4YY -0.00415 -0.00169 0.00344 -0.00346 -0.00247 91 4ZZ 0.00417 0.00048 -0.01057 -0.01047 -0.01807 92 4XY 0.00643 0.00125 0.00792 0.00583 0.00788 93 4XZ 0.00389 -0.00073 -0.00318 -0.00467 -0.00764 94 4YZ -0.00378 0.00437 0.00190 0.00337 0.00624 95 7 C 1S -0.00207 -0.00937 0.00712 -0.00774 0.01383 96 2S 0.00643 0.03585 -0.00856 0.01044 -0.03440 97 2PX -0.00080 -0.00376 0.07120 0.12538 0.09467 98 2PY -0.02315 -0.05154 0.10386 0.01379 0.09410 99 2PZ -0.07990 0.05688 -0.18776 -0.08665 -0.17942 100 3S -0.01274 -0.00996 -0.04268 0.04953 -0.10009 101 3PX -0.00100 -0.03486 0.03222 0.08719 0.08099 102 3PY 0.01402 0.01935 0.06728 -0.01346 0.09972 103 3PZ -0.02367 0.03601 -0.10254 -0.08605 -0.22390 104 4XX 0.00032 0.00513 0.00174 -0.00258 0.00085 105 4YY -0.00525 -0.00037 0.00911 0.00527 -0.01365 106 4ZZ 0.00426 -0.00139 -0.00838 -0.00540 0.01115 107 4XY 0.00178 -0.00251 0.00750 0.00993 -0.01503 108 4XZ 0.00357 -0.00017 0.00055 0.00515 -0.00836 109 4YZ -0.00387 0.00450 -0.00386 -0.01044 0.01446 110 8 C 1S 0.01123 -0.01211 -0.01970 0.01660 -0.01466 111 2S -0.02136 0.01682 0.02276 -0.01004 0.01859 112 2PX -0.02925 0.01090 0.11646 -0.13129 0.03799 113 2PY 0.02827 0.01838 -0.04507 0.00425 -0.01159 114 2PZ 0.02645 -0.05151 -0.07796 0.13788 -0.03947 115 3S -0.04787 0.09440 0.16838 -0.20446 0.16079 116 3PX -0.03631 -0.02152 0.08616 -0.09316 -0.00862 117 3PY -0.00409 -0.00722 -0.05646 0.07610 0.02671 118 3PZ 0.01108 -0.07241 -0.13003 0.11627 -0.11424 119 4XX 0.00213 -0.00405 -0.00845 -0.00458 -0.01421 120 4YY -0.00305 0.00326 -0.00016 0.00875 0.00007 121 4ZZ 0.00284 -0.00212 0.00624 -0.00417 0.01055 122 4XY 0.00632 -0.00854 0.00448 -0.00057 0.00746 123 4XZ -0.00047 0.00663 -0.00134 0.01125 0.00178 124 4YZ -0.00214 0.00299 -0.00185 -0.00538 -0.00526 125 9 C 1S -0.00419 0.00111 -0.00649 -0.00898 -0.00664 126 2S 0.01001 -0.00695 0.01470 0.02127 0.03784 127 2PX -0.14569 0.25030 -0.09178 0.08282 -0.11678 128 2PY 0.05266 -0.11798 0.04189 0.02935 0.07691 129 2PZ 0.06767 -0.08940 0.01908 -0.05741 0.03152 130 3S 0.03520 0.01424 -0.00450 0.07630 0.01567 131 3PX -0.10129 0.17600 -0.05360 0.08454 -0.10321 132 3PY 0.02682 -0.08589 0.02633 0.05171 0.08478 133 3PZ 0.03908 -0.07725 0.03418 -0.03813 0.10298 134 4XX 0.00288 -0.00844 0.00463 -0.00505 -0.00179 135 4YY -0.00549 0.00188 -0.00309 0.00752 0.00072 136 4ZZ 0.00298 0.00503 -0.00451 -0.00155 0.00676 137 4XY -0.00064 -0.00359 0.00731 -0.00318 0.00421 138 4XZ 0.00641 -0.00535 0.00071 -0.00138 -0.00145 139 4YZ -0.00180 0.00367 -0.00410 0.00514 -0.00028 140 10 H 1S -0.05454 -0.00634 0.01427 0.01201 0.00075 141 2S -0.07740 -0.01416 0.02712 0.01556 -0.02199 142 11 H 1S 0.03234 0.03837 0.03401 -0.00320 -0.00880 143 2S 0.04333 0.05666 0.05619 -0.01320 0.00373 144 12 H 1S 0.00863 -0.00016 0.00387 0.01604 0.01234 145 2S 0.02827 0.02087 0.01739 0.01629 0.04828 146 13 H 1S 0.02201 0.01081 -0.00948 -0.03040 0.00122 147 2S 0.02425 0.01459 -0.02358 -0.04225 -0.03073 148 14 C 1S -0.01022 0.00226 0.00092 -0.00274 -0.00303 149 2S 0.02024 -0.00429 -0.00332 0.00509 0.00605 150 2PX 0.09575 -0.03749 -0.10627 -0.11658 -0.14954 151 2PY -0.01880 -0.02453 -0.08744 -0.11742 -0.15331 152 2PZ -0.06228 0.05435 0.14688 0.18613 0.23185 153 3S 0.07115 -0.00139 -0.01179 0.01996 0.02992 154 3PX 0.06533 -0.01855 -0.08659 -0.10033 -0.18181 155 3PY 0.00149 -0.03597 -0.06987 -0.08791 -0.19442 156 3PZ -0.03232 0.03795 0.11152 0.15120 0.29105 157 4XX 0.00189 -0.00231 -0.00570 -0.00555 0.00906 158 4YY -0.00547 0.00118 0.00176 0.00105 -0.00229 159 4ZZ 0.00118 0.00156 0.00329 0.00386 -0.00704 160 4XY 0.00921 -0.00210 -0.00093 -0.00152 0.00365 161 4XZ 0.00351 0.00040 0.00299 0.00342 -0.00471 162 4YZ 0.00356 -0.00114 -0.00286 -0.00337 0.00411 163 15 H 1S -0.06021 0.00730 0.00051 -0.00220 -0.00265 164 2S -0.08153 0.02027 -0.00640 -0.01380 0.00834 165 16 H 1S 0.03731 -0.00678 0.00026 -0.00137 -0.00100 166 2S 0.04561 -0.00784 0.00462 -0.00394 -0.01358 167 17 C 1S 0.00722 0.00275 -0.00794 0.00395 -0.00454 168 2S -0.01521 -0.00138 0.02771 -0.01238 0.00366 169 2PX 0.03293 -0.05399 0.16362 0.13698 -0.19775 170 2PY 0.05230 -0.00650 0.03418 0.08892 -0.09760 171 2PZ -0.01587 0.04381 -0.16426 -0.19199 0.22046 172 3S -0.03713 -0.03760 0.00082 0.01138 0.04544 173 3PX 0.01637 -0.03189 0.10516 0.12762 -0.24458 174 3PY 0.03092 0.00511 0.04719 0.05937 -0.10691 175 3PZ -0.02250 0.05131 -0.11566 -0.15089 0.28175 176 4XX 0.00052 0.00141 0.00198 0.00281 0.00101 177 4YY -0.00019 0.00109 -0.00287 -0.00323 -0.00601 178 4ZZ 0.00282 -0.00074 0.00274 0.00000 0.00285 179 4XY 0.00104 -0.00001 -0.00192 -0.00615 -0.00423 180 4XZ 0.00032 0.00102 -0.00203 -0.00185 -0.00366 181 4YZ 0.00384 -0.00328 0.00887 0.00216 0.00803 182 18 H 1S 0.02394 -0.00743 0.01581 -0.01385 0.00130 183 2S 0.03841 -0.01566 0.01177 -0.01656 0.00491 184 19 H 1S -0.00802 0.01447 -0.02048 0.01996 -0.01021 185 2S -0.01215 0.02118 -0.03759 0.02456 -0.05224 46 47 48 49 50 V V V V V Eigenvalues -- -0.02665 0.00607 0.03943 0.07723 0.08725 1 1 S 1S 0.01217 -0.01340 -0.01141 -0.00792 -0.00696 2 2S -0.05318 0.04447 0.04790 0.02906 0.03335 3 2PX 0.07632 -0.07131 -0.11469 -0.01278 -0.03670 4 2PY -0.03240 -0.07899 -0.10156 0.01139 -0.04146 5 2PZ -0.08336 -0.15308 0.04802 -0.01327 0.01973 6 3S 0.14743 -0.20759 -0.15344 -0.11656 -0.08150 7 3PX -0.22304 0.21762 0.33310 0.03623 0.11159 8 3PY 0.09633 0.23677 0.30257 -0.03740 0.12433 9 3PZ 0.24857 0.44583 -0.14517 0.03654 -0.05484 10 4S 0.19749 0.10266 -0.10237 -0.04361 -0.17626 11 4PX -0.20887 0.06841 0.56521 0.06022 0.21885 12 4PY 0.16388 0.23806 0.59849 -0.04877 0.23793 13 4PZ 0.13840 0.59046 -0.29281 0.11954 -0.19001 14 5XX 0.00012 -0.00998 0.05819 -0.00859 -0.01502 15 5YY -0.02130 0.00829 -0.08232 0.02161 -0.02392 16 5ZZ 0.01766 -0.00628 0.04225 -0.01192 0.05354 17 5XY 0.01187 0.04513 -0.00219 0.01702 0.01335 18 5XZ 0.01471 0.09757 0.00185 0.00188 -0.01347 19 5YZ 0.01315 -0.01227 0.10425 -0.02463 0.04857 20 2 O 1S 0.00892 -0.00451 0.03858 -0.01057 0.01020 21 2S -0.00736 0.02126 -0.04864 0.02328 -0.00623 22 2PX 0.09565 -0.08090 -0.15758 -0.03465 -0.07412 23 2PY 0.00842 -0.15021 0.11466 -0.06769 0.02931 24 2PZ -0.12307 -0.19499 -0.08914 0.01155 0.00226 25 3S -0.11862 -0.00277 -0.48491 0.09406 -0.16157 26 3PX 0.10022 -0.07779 -0.18429 -0.03530 -0.08366 27 3PY 0.01859 -0.15013 0.16843 -0.06754 0.05557 28 3PZ -0.12679 -0.23686 -0.09974 0.00892 -0.00627 29 4XX 0.00463 0.00432 0.02110 -0.00333 0.00461 30 4YY 0.00462 0.00409 0.01628 -0.00105 0.00812 31 4ZZ 0.00564 0.00077 0.02135 -0.00226 0.00961 32 4XY -0.00003 0.00190 -0.00079 0.00015 -0.00083 33 4XZ 0.00202 0.00642 -0.00080 0.00145 0.00076 34 4YZ 0.00128 -0.00029 0.00409 0.00048 0.00088 35 3 O 1S 0.01419 -0.06771 -0.02737 0.00643 0.01013 36 2S -0.02939 0.10948 0.04394 -0.01989 -0.01319 37 2PX 0.10124 0.11376 0.09024 0.07645 0.16545 38 2PY 0.00129 0.11763 0.06078 0.01734 0.01386 39 2PZ -0.10130 0.16201 0.17045 -0.05151 0.06312 40 3S -0.11893 0.62615 0.29450 -0.05255 -0.12183 41 3PX 0.11326 0.06712 0.14015 0.09155 0.24931 42 3PY -0.00593 0.14377 0.08918 0.00790 0.04133 43 3PZ -0.09997 0.17500 0.17436 -0.08482 0.04214 44 4XX -0.00394 -0.03358 -0.00973 -0.00361 0.01098 45 4YY 0.00823 -0.01784 -0.00628 -0.00608 0.00148 46 4ZZ 0.00253 -0.01398 -0.01131 0.00399 -0.00082 47 4XY 0.00049 -0.00857 0.00516 -0.00513 0.00242 48 4XZ 0.00250 0.00020 -0.01188 0.00129 -0.00203 49 4YZ -0.00136 0.00240 0.00012 0.00079 -0.00332 50 4 C 1S -0.00253 -0.01024 0.02813 0.03267 -0.01296 51 2S 0.00505 0.02249 -0.04361 -0.05031 0.05048 52 2PX 0.32728 -0.02590 0.13579 0.00789 -0.10665 53 2PY -0.12112 0.01777 -0.05373 0.14679 0.03069 54 2PZ -0.11714 -0.00328 0.01188 -0.03524 -0.00252 55 3S 0.06311 0.01426 -0.38990 -0.52566 -0.11312 56 3PX 0.43087 -0.04680 0.19796 0.04847 -0.20934 57 3PY -0.11568 -0.02555 -0.08252 0.29385 -0.08218 58 3PZ -0.14392 -0.06341 0.03400 -0.06044 0.02380 59 4XX -0.01337 0.00470 -0.00519 -0.00233 -0.00093 60 4YY 0.00638 -0.00610 0.00928 0.01779 -0.00471 61 4ZZ 0.00758 -0.00181 0.00022 -0.01100 0.00483 62 4XY -0.00701 0.00186 -0.00060 0.00915 0.00463 63 4XZ -0.00824 0.00499 -0.00309 -0.00738 -0.00206 64 4YZ 0.00660 0.00225 0.00121 -0.00419 -0.00372 65 5 C 1S -0.00631 0.02848 -0.00958 0.02088 -0.03955 66 2S 0.02382 -0.05800 -0.00016 -0.03828 0.05781 67 2PX 0.02635 -0.14081 0.01455 0.09926 0.08865 68 2PY 0.01690 -0.04685 0.00648 0.13918 0.02747 69 2PZ -0.00084 0.04356 0.01965 0.06853 -0.06301 70 3S -0.03509 -0.22217 0.18179 -0.35390 0.54036 71 3PX 0.09291 -0.21449 0.08794 0.22867 0.17406 72 3PY -0.05042 -0.03381 0.03592 0.32619 0.10012 73 3PZ -0.08038 0.11637 0.19716 0.21654 -0.05524 74 4XX -0.00660 0.00428 0.00813 -0.00667 -0.01615 75 4YY 0.01258 0.00493 -0.00318 -0.00192 0.00891 76 4ZZ -0.00523 -0.00674 -0.01013 0.01197 0.00112 77 4XY -0.01593 0.00779 -0.00150 0.00660 0.00338 78 4XZ 0.01442 0.00747 0.00702 0.01412 0.01165 79 4YZ -0.00209 -0.00667 0.01128 0.00638 -0.00980 80 6 C 1S -0.01823 -0.00090 0.00258 0.02123 0.00901 81 2S 0.03982 -0.00593 0.00832 -0.03632 -0.01100 82 2PX 0.04763 0.07808 -0.09185 0.00593 0.14253 83 2PY -0.06606 0.07142 -0.09869 0.05949 0.15480 84 2PZ -0.02444 -0.11446 0.12052 -0.05786 -0.22148 85 3S 0.18436 -0.01822 -0.18562 -0.27394 -0.11098 86 3PX 0.09739 0.10816 -0.16592 0.04565 0.08456 87 3PY -0.08989 0.11461 -0.13971 0.08576 0.26513 88 3PZ -0.02272 -0.17506 0.06011 -0.06956 -0.35962 89 4XX -0.00059 0.00489 -0.00362 0.00692 0.00146 90 4YY -0.00093 0.00123 0.00171 -0.00459 -0.01136 91 4ZZ 0.00134 -0.01004 0.00036 0.00193 0.01017 92 4XY -0.00309 0.00986 -0.00329 -0.00999 -0.01113 93 4XZ -0.00269 -0.00150 0.00249 0.00167 -0.00772 94 4YZ 0.00557 0.00208 -0.00206 -0.00097 0.00711 95 7 C 1S 0.01803 -0.02029 0.01149 0.01525 -0.00467 96 2S -0.03042 0.04104 -0.03511 -0.02399 0.00093 97 2PX -0.10488 0.12091 -0.00893 -0.05418 -0.20854 98 2PY 0.01380 -0.01218 0.03906 -0.00569 -0.11720 99 2PZ 0.03860 -0.05269 -0.05914 0.06475 0.27240 100 3S -0.16394 0.23904 -0.05021 -0.20002 0.24318 101 3PX -0.18037 0.18774 -0.02670 -0.03775 -0.26031 102 3PY 0.05281 -0.05023 -0.14537 -0.00767 -0.28040 103 3PZ 0.08539 -0.03454 -0.17230 0.11584 0.39454 104 4XX -0.00711 -0.00340 0.00932 -0.00059 -0.00381 105 4YY 0.00728 -0.00720 0.00550 0.00878 0.00107 106 4ZZ 0.00446 0.01206 -0.01472 -0.00280 0.00654 107 4XY 0.00523 -0.00482 -0.00055 -0.00715 -0.00451 108 4XZ -0.00088 0.00369 -0.00514 0.00011 0.00372 109 4YZ -0.00709 0.00156 0.00327 -0.00168 -0.00552 110 8 C 1S 0.02077 0.03684 -0.03275 0.03008 -0.04418 111 2S -0.05720 -0.02824 0.06181 -0.04086 0.08209 112 2PX -0.07187 -0.12721 0.11931 -0.07146 0.10556 113 2PY 0.00478 0.01828 -0.05895 -0.05556 -0.00896 114 2PZ 0.09044 0.09362 -0.16511 -0.14211 -0.05555 115 3S -0.02514 -0.49237 0.29536 -0.49546 0.45293 116 3PX -0.15027 -0.10417 0.26210 -0.21477 0.41673 117 3PY -0.00778 -0.06803 0.05574 -0.25156 0.05886 118 3PZ 0.09607 0.29447 -0.30442 -0.26955 0.04339 119 4XX 0.01067 0.00982 -0.00234 0.00342 0.01787 120 4YY -0.01298 0.00807 0.00229 0.00369 -0.00976 121 4ZZ 0.00651 -0.00821 -0.00359 -0.00183 -0.01395 122 4XY 0.01352 -0.00370 0.01919 0.00576 -0.00120 123 4XZ -0.02108 0.00385 0.00322 0.00572 -0.00426 124 4YZ -0.00029 -0.00860 -0.01100 0.01749 0.00795 125 9 C 1S 0.00098 -0.01411 -0.01483 0.04882 0.01667 126 2S 0.00049 0.03401 0.05034 -0.08820 -0.04391 127 2PX -0.28305 0.04939 -0.06480 -0.04540 0.05883 128 2PY 0.09919 0.00447 0.07666 0.03618 -0.07992 129 2PZ 0.11242 -0.03082 0.00550 -0.13109 -0.01341 130 3S -0.07488 0.12159 0.16204 -0.66777 0.00851 131 3PX -0.37708 0.06707 -0.16093 -0.09655 -0.03562 132 3PY 0.11393 -0.05951 0.11557 0.06539 -0.10989 133 3PZ 0.18687 -0.05565 -0.00664 -0.33229 -0.21594 134 4XX -0.01508 0.00232 -0.00750 -0.00101 0.00403 135 4YY 0.00805 0.00050 0.00688 -0.01193 0.00139 136 4ZZ 0.00514 -0.00265 0.00673 0.01835 -0.00088 137 4XY -0.01127 -0.00264 0.00240 -0.00657 0.00417 138 4XZ -0.00860 0.00274 -0.00022 0.00330 0.00467 139 4YZ 0.01215 0.00566 -0.00651 -0.01226 -0.00872 140 10 H 1S 0.00068 -0.01944 0.03321 0.06634 -0.00840 141 2S 0.00618 -0.08676 0.20078 0.76472 -0.14726 142 11 H 1S -0.01238 0.03063 0.03740 0.05996 0.00557 143 2S -0.04836 0.09701 0.17420 0.78062 -0.15601 144 12 H 1S -0.01037 -0.03510 -0.02459 0.05927 -0.03997 145 2S -0.00762 -0.05193 -0.02574 0.81492 -0.46495 146 13 H 1S -0.00912 -0.02380 0.01370 0.07842 0.03011 147 2S -0.03521 -0.09002 0.03047 0.90291 0.18003 148 14 C 1S 0.00439 0.00494 -0.00020 0.01246 -0.02299 149 2S -0.00839 -0.01055 0.00390 -0.01960 0.03683 150 2PX -0.04306 -0.05872 0.07446 0.03806 -0.12282 151 2PY -0.02410 -0.05348 0.06256 -0.00978 -0.04814 152 2PZ 0.02161 0.09206 -0.08823 0.09879 0.11915 153 3S 0.00670 -0.05786 -0.03744 -0.19753 0.23482 154 3PX -0.04192 -0.07872 0.11274 0.16042 -0.30670 155 3PY -0.01622 -0.11372 0.11454 -0.00527 -0.05674 156 3PZ 0.01691 0.15570 -0.11431 0.23395 0.18770 157 4XX 0.00235 0.00627 -0.00770 0.00085 0.01483 158 4YY 0.00038 0.00117 0.00297 0.00095 -0.00903 159 4ZZ -0.00093 -0.00661 0.00641 -0.00128 -0.01041 160 4XY -0.00307 0.00116 -0.00419 0.00348 0.00526 161 4XZ -0.00173 -0.00355 0.00476 -0.00403 -0.00807 162 4YZ 0.00009 0.00125 -0.00362 0.00508 0.00840 163 15 H 1S 0.01155 0.01146 0.00273 0.00183 -0.01800 164 2S 0.02359 0.06535 0.00365 0.11263 -0.31347 165 16 H 1S -0.00572 -0.00907 -0.00075 0.01219 -0.00622 166 2S -0.03397 0.01531 0.03631 0.35668 -0.14127 167 17 C 1S -0.00446 0.00867 -0.01128 0.01362 -0.02411 168 2S 0.01446 -0.01868 0.01384 -0.02141 0.03430 169 2PX 0.08848 -0.04944 -0.04924 0.02767 0.09794 170 2PY 0.02320 0.00232 -0.05017 -0.05227 0.11462 171 2PZ -0.10969 0.07281 0.04929 -0.07693 -0.12258 172 3S -0.01850 -0.03753 0.22473 -0.22407 0.40629 173 3PX 0.10120 -0.09417 -0.03538 0.02901 0.16986 174 3PY 0.05261 -0.01312 -0.10661 -0.18513 0.27524 175 3PZ -0.13046 0.10090 0.04358 -0.17220 -0.26514 176 4XX -0.00192 0.00099 0.00216 0.00068 -0.00835 177 4YY 0.00181 -0.00173 -0.00323 -0.00131 0.01100 178 4ZZ 0.00060 0.00296 -0.00212 0.00071 -0.00801 179 4XY 0.00412 -0.00578 0.00122 0.00494 0.01198 180 4XZ 0.00123 -0.00166 -0.00257 0.00395 0.00505 181 4YZ -0.00201 0.00194 0.00525 -0.00418 -0.01374 182 18 H 1S 0.00545 -0.00391 0.00414 0.00958 -0.00764 183 2S 0.01584 -0.01358 0.00826 0.32237 -0.24804 184 19 H 1S -0.00826 0.01047 -0.01935 0.00709 -0.01657 185 2S -0.03338 0.04129 -0.06955 0.12710 -0.31538 51 52 53 54 55 V V V V V Eigenvalues -- 0.09941 0.10802 0.11742 0.14015 0.15577 1 1 S 1S -0.02323 0.00557 0.02368 0.00159 0.00160 2 2S 0.10306 -0.02808 -0.09606 -0.00085 -0.00038 3 2PX -0.06333 0.02611 0.06405 -0.01090 -0.00868 4 2PY 0.06773 -0.00962 -0.04762 0.00124 0.00707 5 2PZ -0.03093 0.00581 -0.01091 -0.02028 -0.01974 6 3S -0.28371 0.06000 0.32025 0.03905 0.04439 7 3PX 0.20121 -0.08457 -0.20323 0.03494 0.04124 8 3PY -0.20565 0.02824 0.14671 -0.00166 -0.02375 9 3PZ 0.09897 -0.02998 0.03343 0.07402 0.06532 10 4S -0.53927 0.18837 0.41814 -0.07115 -0.12619 11 4PX 0.11147 -0.02055 -0.22679 0.03116 -0.05922 12 4PY -0.63637 0.22595 0.36091 -0.10876 -0.08639 13 4PZ 0.19854 0.12854 -0.04534 -0.04840 0.01846 14 5XX -0.06559 0.02428 0.04700 0.01376 -0.03132 15 5YY 0.08007 -0.01868 -0.04474 0.01451 0.01566 16 5ZZ -0.00834 -0.01568 -0.00563 -0.02455 0.01048 17 5XY 0.00876 0.00595 -0.00886 -0.00772 -0.00319 18 5XZ -0.00355 0.02140 0.02784 -0.02420 0.00529 19 5YZ -0.06495 -0.00044 0.03947 -0.00052 0.00424 20 2 O 1S -0.05415 0.01194 0.03470 -0.00509 -0.00692 21 2S 0.08200 -0.01356 -0.05955 0.00739 0.00669 22 2PX -0.05366 0.01562 0.07521 -0.01816 0.00678 23 2PY -0.19283 0.03139 0.14039 -0.01586 -0.01714 24 2PZ 0.10630 -0.03079 -0.08940 -0.01438 -0.00565 25 3S 0.64509 -0.16030 -0.38498 0.06837 0.09962 26 3PX -0.06343 0.01594 0.08959 -0.01357 0.00863 27 3PY -0.28226 0.04834 0.18006 -0.01659 -0.03630 28 3PZ 0.13939 -0.05993 -0.11511 0.01149 0.00869 29 4XX -0.02346 0.00750 0.01401 -0.00266 -0.00587 30 4YY -0.01407 0.00494 0.00617 -0.00271 -0.00325 31 4ZZ -0.02088 0.00362 0.01165 -0.00075 -0.00185 32 4XY -0.00186 0.00223 0.00291 -0.00145 -0.00035 33 4XZ 0.00051 0.00187 0.00003 -0.00149 -0.00035 34 4YZ -0.00549 0.00230 0.00042 -0.00314 -0.00174 35 3 O 1S -0.00997 0.00013 0.01552 -0.01705 0.00038 36 2S 0.03482 -0.01030 -0.03978 0.02703 0.00705 37 2PX 0.03535 -0.00775 -0.00572 -0.03718 0.02785 38 2PY 0.17898 -0.04221 -0.12961 -0.02674 0.04013 39 2PZ -0.01511 -0.01861 -0.04131 0.00043 -0.02233 40 3S 0.00071 0.05827 -0.09748 0.19650 0.00753 41 3PX 0.03771 0.01753 -0.03119 -0.09824 0.02339 42 3PY 0.18474 -0.00068 -0.13634 -0.06999 0.07494 43 3PZ -0.04111 0.01696 -0.07444 0.04752 -0.00200 44 4XX 0.00580 -0.00562 -0.00437 -0.00005 0.01104 45 4YY -0.00364 0.00092 0.00573 -0.01321 0.00030 46 4ZZ 0.00589 -0.00338 -0.00122 0.00000 0.00216 47 4XY -0.00692 0.00332 0.00318 -0.00561 0.00272 48 4XZ 0.00359 0.00118 -0.00206 -0.00212 -0.00374 49 4YZ -0.00204 0.00346 0.00662 -0.00023 -0.00124 50 4 C 1S 0.01952 0.00654 0.02931 -0.00178 0.09263 51 2S -0.02993 -0.01281 -0.04368 0.01063 -0.13341 52 2PX 0.09528 -0.01614 -0.00983 0.01377 0.05730 53 2PY -0.00390 0.00113 0.12547 -0.06212 0.21118 54 2PZ -0.01290 0.03421 0.05396 -0.00872 0.00266 55 3S -0.44468 0.08888 -0.39672 0.05041 -1.47902 56 3PX 0.15730 0.07647 -0.02909 0.09364 0.27291 57 3PY -0.05093 0.09876 0.38609 -0.14978 0.84483 58 3PZ -0.01947 0.22909 0.00313 0.02231 -0.03969 59 4XX -0.00725 0.00245 0.00571 0.00329 0.00231 60 4YY 0.00369 0.00335 0.00614 0.00007 0.00191 61 4ZZ 0.00448 -0.00015 -0.00737 0.00025 0.01254 62 4XY -0.00567 0.00305 0.00215 -0.00138 0.00255 63 4XZ -0.00697 0.00471 0.00462 0.00899 0.00353 64 4YZ 0.00048 0.00187 -0.00677 -0.00854 -0.00316 65 5 C 1S -0.00718 -0.02432 0.01748 -0.03921 -0.05929 66 2S 0.00948 0.01874 -0.00085 0.08302 0.12015 67 2PX 0.01355 -0.07703 0.06909 -0.18660 -0.01591 68 2PY 0.02028 -0.10183 0.08939 0.11679 -0.07948 69 2PZ 0.03780 -0.09626 0.11329 0.04782 0.02168 70 3S 0.05035 0.53682 -0.62036 0.46917 0.66818 71 3PX 0.09596 -0.22506 0.27423 -0.46948 -0.26586 72 3PY 0.05300 -0.37060 0.09756 0.24929 -0.42242 73 3PZ 0.15995 -0.30360 0.28804 0.11584 -0.14721 74 4XX -0.00492 -0.00140 -0.00427 0.00273 -0.00393 75 4YY 0.00286 -0.00467 -0.00133 -0.01080 -0.00368 76 4ZZ 0.00071 -0.00100 0.00680 -0.00179 -0.00329 77 4XY 0.00575 0.00028 0.00280 0.00695 0.00342 78 4XZ 0.00637 -0.00201 -0.00692 0.00078 0.00456 79 4YZ 0.00620 0.00657 0.01473 -0.00692 0.00610 80 6 C 1S 0.00009 0.02164 -0.01409 0.03644 0.00648 81 2S 0.01608 -0.05824 0.02764 -0.05308 -0.00339 82 2PX -0.02591 -0.02223 0.02189 -0.06233 0.00973 83 2PY -0.00693 -0.08018 0.03742 0.09461 0.05326 84 2PZ 0.08496 -0.01942 0.08796 -0.00588 -0.00379 85 3S -0.06092 0.15459 0.15645 -0.47875 0.05501 86 3PX -0.08613 0.11042 0.04752 -0.11508 0.26502 87 3PY -0.09696 0.05222 -0.20131 0.18438 0.21515 88 3PZ 0.02879 0.15602 -0.03017 -0.03906 0.18038 89 4XX 0.00567 0.00373 0.00835 -0.00787 -0.00124 90 4YY -0.00197 0.00069 -0.00084 0.02906 0.01079 91 4ZZ -0.00354 0.00387 -0.00957 -0.01140 -0.00006 92 4XY -0.00658 0.00828 -0.01198 -0.01540 0.00145 93 4XZ 0.00431 0.01008 -0.00282 -0.01308 0.00053 94 4YZ -0.00574 0.00276 -0.01567 0.00543 0.00561 95 7 C 1S 0.00302 -0.01374 0.02938 0.03454 -0.00310 96 2S -0.01168 0.04099 -0.06422 -0.04882 0.03716 97 2PX 0.08308 -0.00983 0.08308 -0.10945 -0.04885 98 2PY 0.01954 -0.03834 0.04484 0.06417 0.04249 99 2PZ -0.06246 -0.08179 0.01964 -0.06222 -0.01954 100 3S 0.25969 -0.04124 -0.17892 -0.51826 -0.23956 101 3PX 0.14973 0.22636 -0.02663 -0.24480 -0.16645 102 3PY -0.05547 0.10500 0.05358 0.24673 0.35607 103 3PZ -0.12629 0.11029 -0.11751 -0.10936 0.05668 104 4XX 0.00229 -0.00494 -0.00480 0.01725 0.00316 105 4YY 0.01136 0.00600 -0.00125 -0.01233 -0.00951 106 4ZZ -0.00809 -0.00638 0.01049 0.00060 0.00515 107 4XY -0.00431 -0.01263 0.00997 -0.01749 0.00421 108 4XZ 0.00284 -0.01071 0.00165 0.01320 0.00581 109 4YZ 0.00516 -0.00735 0.00708 -0.01922 -0.00393 110 8 C 1S -0.04637 0.04006 0.02665 -0.05861 -0.02541 111 2S 0.09210 -0.05222 -0.09136 0.09121 -0.00844 112 2PX 0.12023 -0.13890 -0.10961 -0.15300 0.03275 113 2PY 0.02889 -0.09324 0.09030 0.07874 0.11054 114 2PZ -0.04270 -0.04801 0.22399 -0.03143 0.07841 115 3S 0.43024 -0.74114 0.11219 0.77581 0.83295 116 3PX 0.37818 -0.38882 -0.23643 -0.40966 -0.00252 117 3PY 0.08508 -0.49628 0.17046 0.24392 0.24290 118 3PZ 0.17777 -0.24566 0.34966 -0.17645 0.12858 119 4XX 0.00193 0.00076 -0.01082 -0.01005 -0.00319 120 4YY -0.00697 -0.00278 0.00366 -0.00344 0.00897 121 4ZZ -0.00506 0.00755 0.00706 0.00253 -0.01322 122 4XY 0.00183 0.00609 -0.00030 0.00475 0.00102 123 4XZ 0.01138 0.00757 -0.00541 -0.01079 -0.00554 124 4YZ 0.00718 0.00256 -0.00438 0.00346 -0.00167 125 9 C 1S 0.02378 0.02341 -0.01478 -0.00141 -0.03713 126 2S -0.06687 -0.01490 0.05634 0.01097 0.07818 127 2PX -0.18643 0.01455 0.14516 0.01469 0.00823 128 2PY 0.01391 -0.00595 -0.01178 -0.02438 -0.01489 129 2PZ 0.05150 -0.10719 -0.04291 0.03408 -0.00919 130 3S -0.13143 -0.69304 0.03438 0.04172 0.24354 131 3PX -0.35360 0.08791 0.26136 0.05032 -0.03728 132 3PY -0.02421 0.07143 -0.14853 -0.09889 -0.35279 133 3PZ -0.12774 -0.07629 0.10781 0.06650 0.15701 134 4XX -0.00161 0.00091 0.00094 -0.00999 -0.00190 135 4YY -0.00078 0.00087 0.00175 0.01263 -0.00512 136 4ZZ 0.00486 -0.00064 0.00001 0.00036 -0.00040 137 4XY 0.00387 -0.00546 -0.00537 -0.00484 -0.00279 138 4XZ -0.00705 0.00135 0.00935 -0.00310 -0.00114 139 4YZ -0.00352 -0.00314 0.00894 -0.00228 -0.00270 140 10 H 1S 0.00408 0.00986 0.03431 0.00107 0.05562 141 2S 0.21881 0.05324 0.65673 -0.19202 1.70438 142 11 H 1S 0.04549 -0.00953 0.04009 -0.02859 -0.01637 143 2S 0.23721 -0.75660 0.75756 -0.21799 -0.72080 144 12 H 1S 0.00761 0.06523 -0.00047 -0.01461 -0.02950 145 2S -0.50021 1.01721 -0.31104 -0.14176 -0.64876 146 13 H 1S 0.01230 0.00910 -0.01706 0.01053 -0.01541 147 2S 0.27207 0.43022 -0.24863 -0.13821 -0.38503 148 14 C 1S -0.03974 -0.08221 -0.02608 0.01661 -0.02081 149 2S 0.07803 0.13416 0.04592 -0.03849 0.02410 150 2PX -0.01918 -0.09773 -0.02480 -0.02286 -0.05101 151 2PY 0.09826 -0.00731 0.14554 0.18420 -0.09568 152 2PZ -0.01745 -0.10327 0.04705 0.09869 -0.07216 153 3S 0.46627 1.18894 0.33683 -0.17508 0.53989 154 3PX -0.14114 -0.32129 -0.11197 -0.00994 -0.06283 155 3PY 0.26951 -0.09381 0.46460 0.55181 -0.30441 156 3PZ -0.03888 -0.32507 0.17314 0.37642 -0.17248 157 4XX -0.00411 -0.00344 -0.00333 -0.00114 0.00046 158 4YY -0.00255 -0.00307 -0.00494 0.00126 -0.00184 159 4ZZ 0.00228 -0.00722 0.00300 0.00412 -0.00073 160 4XY -0.00169 -0.00774 0.00469 0.01025 0.00731 161 4XZ 0.00289 -0.00119 0.00279 0.00672 0.00469 162 4YZ -0.00278 -0.00511 -0.00104 0.00794 0.00264 163 15 H 1S -0.02012 -0.02117 -0.03117 -0.03974 -0.03619 164 2S -0.57073 -0.58864 -0.73362 -0.66136 0.03348 165 16 H 1S -0.01768 -0.06277 0.00238 0.05680 0.01283 166 2S -0.13163 -1.04844 0.27598 0.89506 -0.59356 167 17 C 1S -0.06216 -0.02598 -0.05361 0.01671 0.05715 168 2S 0.11801 0.04957 0.07766 -0.03505 -0.08529 169 2PX -0.04379 -0.13779 -0.02800 -0.17628 0.00663 170 2PY 0.06895 0.00912 0.08375 -0.00336 -0.05892 171 2PZ 0.05276 -0.07264 0.05636 -0.15259 -0.00912 172 3S 0.80418 0.25862 0.77489 -0.26072 -0.97379 173 3PX -0.12405 -0.41236 0.01939 -0.53410 0.03212 174 3PY 0.29168 0.08704 0.24504 -0.05814 -0.06781 175 3PZ 0.14159 -0.24099 0.19094 -0.47774 -0.01124 176 4XX -0.00322 -0.00379 -0.00110 -0.00228 0.00194 177 4YY -0.00432 -0.00130 -0.00368 0.00101 0.00485 178 4ZZ -0.00260 0.00149 -0.00360 0.00544 0.00394 179 4XY -0.00490 -0.00025 -0.01142 0.01260 0.00098 180 4XZ -0.00192 -0.00350 -0.00188 0.00531 0.00131 181 4YZ 0.00363 0.00258 -0.00507 0.01147 0.00277 182 18 H 1S -0.02747 -0.01270 -0.06247 0.07040 0.03787 183 2S -0.60699 0.24347 -0.70948 0.99934 0.51679 184 19 H 1S -0.02691 -0.01769 0.00010 -0.05109 0.02229 185 2S -0.57218 -0.66206 -0.38926 -0.73237 0.50187 56 57 58 59 60 V V V V V Eigenvalues -- 0.15893 0.17658 0.19314 0.19738 0.21346 1 1 S 1S 0.01264 -0.00356 -0.00297 -0.00523 0.00101 2 2S -0.03860 0.01330 0.00481 0.00692 0.00157 3 2PX 0.00508 0.00888 0.01118 0.00165 0.00900 4 2PY -0.01820 -0.00136 0.01864 0.00261 -0.00873 5 2PZ -0.00408 -0.01078 0.02496 0.01004 -0.02191 6 3S 0.21111 -0.05014 -0.05998 -0.11782 0.03300 7 3PX -0.01513 -0.02581 -0.03757 0.00213 -0.02401 8 3PY 0.05725 -0.00006 -0.06172 -0.00423 0.02439 9 3PZ 0.02259 0.02306 -0.09208 -0.03356 0.05595 10 4S 0.05114 -0.07672 0.02273 0.11715 -0.07700 11 4PX -0.10696 0.03527 0.07093 -0.08876 -0.06112 12 4PY 0.14475 0.07649 -0.00017 -0.16767 0.09860 13 4PZ -0.09088 0.21831 0.05199 0.01868 0.32032 14 5XX 0.02408 -0.04039 0.00329 -0.03591 -0.04450 15 5YY -0.01929 0.01220 -0.00604 0.03771 0.01459 16 5ZZ 0.00474 0.02226 -0.01156 -0.00949 0.03018 17 5XY 0.00165 0.01033 -0.00319 -0.02238 0.00846 18 5XZ -0.00037 0.02872 -0.00719 -0.00715 0.06286 19 5YZ 0.01517 0.01663 -0.02224 0.03540 0.02837 20 2 O 1S 0.01254 -0.00332 -0.00306 -0.00061 -0.00345 21 2S -0.01743 0.00353 0.00676 -0.02145 0.00664 22 2PX 0.00770 0.00543 -0.00246 0.03694 0.02152 23 2PY 0.06647 -0.03290 -0.00985 -0.02375 -0.01500 24 2PZ -0.01568 -0.03047 0.02666 -0.04790 -0.03557 25 3S -0.14713 0.04292 0.02070 0.07420 0.04617 26 3PX 0.02334 0.00090 -0.01537 0.03530 0.02064 27 3PY 0.07440 -0.04911 -0.01233 -0.01375 -0.04601 28 3PZ -0.02693 -0.03928 0.01591 -0.01193 -0.05914 29 4XX 0.00670 -0.00399 -0.00014 -0.00919 -0.00287 30 4YY 0.00563 -0.00088 0.00084 -0.01218 0.00087 31 4ZZ 0.00516 0.00044 -0.00396 -0.00301 0.00111 32 4XY -0.00067 0.00201 0.00135 -0.00101 0.00377 33 4XZ 0.00055 0.00081 0.00017 -0.00424 0.00305 34 4YZ -0.00230 0.00143 0.00273 0.00229 -0.00139 35 3 O 1S -0.01455 0.02930 -0.01099 0.00131 0.05040 36 2S 0.03055 -0.03501 0.00019 0.00468 -0.05644 37 2PX -0.07520 0.18986 -0.06100 -0.02399 0.25767 38 2PY -0.04982 0.04410 -0.02419 0.00959 0.07763 39 2PZ 0.02921 -0.04321 -0.02647 0.08113 -0.06638 40 3S 0.15182 -0.36069 0.21580 -0.03975 -0.68634 41 3PX -0.11059 0.36734 -0.10958 -0.02507 0.53901 42 3PY -0.04671 0.10741 0.01634 -0.03876 0.14132 43 3PZ 0.07222 -0.07134 0.02927 0.11995 -0.17644 44 4XX -0.00278 0.02300 -0.00594 0.01050 0.02806 45 4YY -0.00061 0.00983 -0.00611 -0.00293 0.02150 46 4ZZ -0.00237 0.00570 -0.00891 0.00102 0.01423 47 4XY 0.00385 0.00629 0.00183 -0.00523 0.01325 48 4XZ 0.00211 0.00316 -0.00337 0.01088 0.00402 49 4YZ 0.00023 -0.00133 -0.00034 -0.00732 -0.00277 50 4 C 1S -0.01493 -0.00536 0.05429 -0.04659 -0.01521 51 2S 0.04978 0.01591 -0.10130 0.01534 0.02688 52 2PX 0.05628 -0.03069 0.03253 -0.00191 -0.07823 53 2PY 0.05368 -0.05163 0.03874 0.12662 0.05324 54 2PZ 0.01972 0.04866 -0.01981 -0.20457 0.04246 55 3S -0.14073 0.32825 -0.61320 0.91488 0.46778 56 3PX 0.14643 0.05880 0.22875 -0.08258 -0.07155 57 3PY -0.06947 -0.05455 0.47901 0.42535 0.31872 58 3PZ 0.30105 0.46033 -0.04705 -0.83803 0.40287 59 4XX 0.00299 -0.00497 -0.00031 0.00685 -0.00660 60 4YY -0.00040 0.00965 -0.00520 0.00783 0.00334 61 4ZZ -0.00629 0.00256 0.01686 -0.03212 0.00513 62 4XY -0.00102 0.00317 0.00033 0.00843 0.00549 63 4XZ 0.00369 -0.00488 0.00885 -0.00464 -0.01438 64 4YZ -0.00100 -0.00394 0.00396 0.02433 -0.01282 65 5 C 1S -0.01364 -0.09586 -0.03250 0.05921 -0.07096 66 2S -0.02952 0.16586 0.06055 -0.06851 0.10718 67 2PX -0.14866 0.07559 -0.10946 -0.07068 0.34187 68 2PY -0.08881 0.02594 -0.15543 0.11033 0.04328 69 2PZ -0.06526 -0.17243 0.00294 -0.28827 -0.10361 70 3S 0.70401 1.43019 0.53962 -1.00882 1.11642 71 3PX -0.41288 0.12411 -0.44374 -0.19957 0.72001 72 3PY -0.15753 -0.10580 -0.39484 0.30108 0.30575 73 3PZ -0.03221 -0.45293 -0.11204 -0.93704 -0.36252 74 4XX 0.00557 -0.01848 0.00315 0.00451 -0.01231 75 4YY -0.01314 0.00031 0.00078 -0.00404 -0.00538 76 4ZZ 0.00102 0.00934 -0.01150 0.01357 0.01574 77 4XY -0.00464 0.00190 0.00168 -0.00505 -0.01202 78 4XZ -0.00292 0.00480 -0.00058 -0.00020 0.01046 79 4YZ -0.00606 0.01178 -0.00192 -0.01792 0.00725 80 6 C 1S -0.00669 -0.01025 -0.00578 -0.01397 0.02809 81 2S 0.03251 0.04340 0.01675 -0.01283 -0.02393 82 2PX -0.04159 -0.03996 -0.03337 -0.02364 -0.14361 83 2PY 0.03764 0.10960 0.04736 0.00173 -0.09966 84 2PZ 0.00739 0.15708 -0.09951 0.00810 0.03460 85 3S -0.09139 0.14863 0.21041 0.35641 -0.35590 86 3PX -0.29962 -0.03047 -0.21702 -0.29258 -0.62325 87 3PY 0.17058 0.20999 0.21128 -0.08884 0.09726 88 3PZ -0.10980 0.34835 -0.30819 -0.07960 0.08412 89 4XX -0.00991 0.00930 -0.00001 -0.01549 0.01098 90 4YY 0.00905 0.00259 0.00376 -0.00333 -0.00866 91 4ZZ -0.00126 -0.00821 0.00073 0.01062 0.00764 92 4XY 0.01076 -0.02336 0.00015 0.00294 -0.00060 93 4XZ -0.00336 -0.01105 0.00474 -0.01540 0.00868 94 4YZ 0.00310 -0.00683 0.00254 0.00956 0.00725 95 7 C 1S 0.00679 0.01905 0.00273 -0.00656 -0.02084 96 2S -0.00356 -0.02954 -0.01168 -0.02033 0.04283 97 2PX -0.01621 0.15996 -0.01209 -0.01965 0.07361 98 2PY 0.02471 0.07619 -0.10119 -0.00345 -0.02353 99 2PZ -0.08726 0.06003 0.02816 -0.01230 -0.11930 100 3S 0.02028 -0.29179 -0.20158 0.22390 0.33588 101 3PX -0.06201 0.23279 0.07656 -0.09633 0.42303 102 3PY -0.07623 0.14771 -0.41834 -0.19140 -0.48031 103 3PZ -0.32506 0.14086 0.03244 0.01152 -0.10890 104 4XX 0.00088 0.00509 -0.00234 0.01633 0.01034 105 4YY -0.00374 -0.00040 -0.00308 -0.01463 0.00341 106 4ZZ 0.00949 0.00153 -0.00137 -0.00668 -0.01096 107 4XY 0.00241 0.01524 -0.00197 0.01378 -0.01157 108 4XZ 0.00727 0.00792 -0.00426 0.00128 -0.00092 109 4YZ -0.00245 0.01230 -0.00136 -0.00403 -0.01423 110 8 C 1S -0.05111 0.03443 0.02697 0.06040 0.00430 111 2S 0.06604 -0.04336 -0.04512 -0.04701 0.03556 112 2PX -0.04345 -0.01281 -0.04128 0.07108 -0.07828 113 2PY -0.00366 -0.05401 -0.06756 0.26207 0.05889 114 2PZ 0.15726 -0.04078 -0.14090 -0.11880 0.10484 115 3S 0.77318 -0.63635 -0.43968 -1.23552 -0.31530 116 3PX 0.03553 -0.01015 -0.20729 0.34444 0.19339 117 3PY 0.09548 -0.06021 -0.46779 1.11637 -0.01297 118 3PZ 0.54380 -0.15449 -0.40565 -0.24697 0.40765 119 4XX -0.00675 -0.00130 0.00439 0.00060 0.00260 120 4YY -0.00664 0.01346 0.00130 0.02175 -0.00460 121 4ZZ 0.00361 -0.00781 -0.00175 -0.00986 0.00386 122 4XY 0.00302 -0.00730 0.00301 0.01051 -0.00031 123 4XZ -0.00421 -0.00185 0.00442 -0.00624 0.00955 124 4YZ 0.00512 -0.00871 0.00287 -0.01262 -0.00878 125 9 C 1S 0.08196 0.00398 -0.03812 -0.06371 0.02130 126 2S -0.10072 0.00345 0.08114 0.04777 -0.02160 127 2PX -0.04595 0.01397 -0.03470 0.03476 0.09791 128 2PY 0.04237 0.08796 -0.07425 0.21653 -0.00508 129 2PZ -0.23860 -0.02181 0.06927 -0.09836 0.05208 130 3S -1.47075 -0.31736 0.27242 1.31730 -0.49822 131 3PX -0.21154 0.13030 0.03805 0.17597 0.28676 132 3PY 0.15277 0.40524 -0.35270 0.91508 0.08831 133 3PZ -0.81953 -0.01485 0.56278 -0.31550 0.26819 134 4XX -0.00241 0.00420 -0.00164 0.00192 0.00862 135 4YY 0.01539 -0.00267 -0.00574 -0.03295 0.00196 136 4ZZ 0.00242 -0.00316 -0.00209 0.01637 -0.00277 137 4XY 0.00101 0.00374 -0.00620 -0.01367 0.00094 138 4XZ 0.00212 -0.00213 -0.00670 0.00813 0.00798 139 4YZ 0.00558 -0.00136 -0.00971 0.00835 0.00126 140 10 H 1S -0.01036 0.03970 0.01309 0.04199 0.03535 141 2S 0.01539 -0.20910 0.80767 0.34985 0.09776 142 11 H 1S -0.03250 0.01594 -0.06309 -0.03713 0.01484 143 2S -0.65775 -0.94753 -0.87649 -0.33856 -0.17928 144 12 H 1S -0.01716 -0.03926 0.06781 -0.02330 -0.02325 145 2S -0.76699 0.34201 0.98279 -0.16723 -0.38288 146 13 H 1S 0.04401 -0.01656 -0.03074 0.04282 -0.01373 147 2S 1.66017 0.20436 -0.83940 0.24388 -0.19016 148 14 C 1S 0.04879 -0.00631 0.06686 0.02039 0.03228 149 2S -0.07277 0.02257 -0.07374 -0.04869 -0.02118 150 2PX 0.03585 -0.01475 0.11343 -0.06227 0.14923 151 2PY -0.03235 0.15427 0.01054 0.03630 -0.11346 152 2PZ -0.00790 0.08881 0.08419 -0.02790 -0.00462 153 3S -0.83434 0.11313 -1.32367 -0.37452 -0.92658 154 3PX 0.00187 -0.04492 -0.03228 -0.23497 0.22371 155 3PY -0.12347 0.57115 0.04324 0.13634 -0.31188 156 3PZ -0.08635 0.21232 0.14371 -0.12902 -0.26021 157 4XX 0.00334 -0.00549 0.00854 0.00302 -0.00732 158 4YY 0.00410 -0.00971 0.00399 -0.00513 0.00291 159 4ZZ 0.00193 0.01642 -0.00123 0.00249 0.00814 160 4XY -0.00007 0.01934 -0.00099 -0.00593 -0.01183 161 4XZ 0.00300 0.01377 -0.00294 -0.00126 -0.00322 162 4YZ -0.00112 0.00597 0.00007 -0.00064 -0.00116 163 15 H 1S 0.02526 -0.09752 0.04092 0.01379 0.04914 164 2S 0.52783 -0.85719 0.56032 -0.06016 0.95397 165 16 H 1S 0.02285 0.09179 0.03094 -0.01329 0.00280 166 2S 0.24915 0.71224 0.80534 0.02516 0.07040 167 17 C 1S -0.01746 0.02581 -0.07023 -0.00332 -0.02075 168 2S 0.01967 -0.04526 0.08102 -0.01919 0.02398 169 2PX 0.04952 0.11388 0.03215 -0.07151 -0.13556 170 2PY 0.05634 -0.05905 0.13699 0.09095 0.04690 171 2PZ 0.08878 0.11806 0.04070 0.00202 -0.09061 172 3S 0.41382 -0.41198 1.38219 0.28867 0.66603 173 3PX 0.15158 0.36508 0.14038 -0.10338 -0.58694 174 3PY 0.10482 -0.16731 0.04421 0.16071 -0.08100 175 3PZ 0.29013 0.33131 0.05335 -0.06611 -0.38010 176 4XX -0.00387 0.00940 -0.00533 0.00504 -0.00136 177 4YY -0.00071 -0.00421 -0.00142 0.00167 -0.00224 178 4ZZ 0.00298 -0.00189 -0.00453 -0.00689 0.00200 179 4XY 0.00336 -0.01698 0.00440 -0.00297 0.00707 180 4XZ -0.00088 0.00136 0.00141 -0.00179 -0.00387 181 4YZ 0.00926 -0.00860 -0.00103 0.00093 0.01684 182 18 H 1S 0.01419 -0.04534 -0.03560 -0.01862 0.04401 183 2S -0.53425 -0.32537 -0.86279 -0.10001 0.48939 184 19 H 1S -0.03774 0.07882 -0.03950 0.00024 -0.06886 185 2S 0.00039 0.93630 -0.54251 -0.35647 -0.99300 61 62 63 64 65 V V V V V Eigenvalues -- 0.25208 0.25856 0.30007 0.32287 0.33293 1 1 S 1S -0.00147 -0.00150 -0.04042 0.00634 -0.00701 2 2S -0.01219 0.00955 0.05122 0.01032 0.01949 3 2PX 0.00299 -0.02051 0.16822 -0.01665 0.06662 4 2PY 0.00874 0.01094 -0.08038 0.01597 -0.01514 5 2PZ 0.05432 -0.01589 -0.04691 -0.03977 -0.01369 6 3S -0.07820 -0.01088 -0.93094 0.20127 -0.12653 7 3PX 0.00008 0.07519 -0.68760 0.05369 -0.28230 8 3PY -0.02860 -0.04379 0.34367 -0.06860 0.05653 9 3PZ -0.19949 0.05413 0.19288 0.15834 0.04398 10 4S 0.33042 -0.07135 1.24795 -0.54181 0.03474 11 4PX -0.23370 -0.02524 0.68645 0.25133 0.53282 12 4PY 0.19387 -0.04689 -0.50374 0.17532 0.15210 13 4PZ 0.03501 0.13418 -0.33036 -0.20589 0.08908 14 5XX -0.03363 -0.01026 0.05919 0.02981 0.06054 15 5YY -0.03639 0.01525 -0.02460 0.02140 -0.01558 16 5ZZ 0.06261 -0.00039 -0.08072 -0.02526 -0.05505 17 5XY -0.00183 0.01704 -0.08045 0.04171 0.02630 18 5XZ 0.02610 0.01363 -0.00262 -0.04490 0.03842 19 5YZ -0.02137 -0.00019 -0.01757 -0.00597 -0.02522 20 2 O 1S 0.01178 -0.00734 0.00794 -0.00383 0.00082 21 2S -0.01130 0.00899 -0.04773 0.04122 0.01189 22 2PX 0.03439 -0.01335 0.05860 -0.07191 -0.03670 23 2PY 0.03865 -0.03194 -0.04405 -0.01626 -0.00964 24 2PZ 0.05680 -0.01599 0.02334 0.00992 0.01634 25 3S -0.18587 0.09816 -0.07959 -0.02954 -0.06739 26 3PX 0.04393 -0.00845 -0.04902 -0.04532 -0.07119 27 3PY 0.06442 -0.04929 0.05722 -0.03490 -0.01390 28 3PZ -0.01163 -0.00786 0.03589 0.02138 -0.02278 29 4XX 0.00824 -0.00727 0.00534 0.01057 0.01297 30 4YY 0.00889 -0.00331 -0.03446 0.00957 0.00075 31 4ZZ -0.00102 -0.00073 -0.00317 0.01228 0.00023 32 4XY 0.00126 -0.00159 0.02012 -0.00513 0.01007 33 4XZ 0.00387 0.00255 -0.01493 0.00115 0.00195 34 4YZ 0.00928 0.00021 0.00373 -0.00565 -0.00225 35 3 O 1S -0.00028 0.00664 0.01049 -0.00133 0.01049 36 2S -0.00684 -0.00128 -0.04603 0.01133 -0.07128 37 2PX -0.07257 0.02952 -0.00271 0.04087 0.09027 38 2PY -0.01736 0.09258 0.02994 0.01629 -0.00141 39 2PZ 0.04181 -0.00007 0.01871 -0.01140 0.00442 40 3S 0.03901 -0.15705 -0.15285 -0.05253 0.01058 41 3PX -0.12515 0.06483 -0.19112 0.12258 0.14216 42 3PY 0.03531 0.16583 0.01153 0.03068 0.06955 43 3PZ 0.00642 -0.06007 -0.04677 -0.02074 0.08173 44 4XX -0.00341 0.00132 -0.02634 0.00005 -0.02112 45 4YY 0.01231 0.01351 0.00469 -0.01198 -0.00703 46 4ZZ -0.01443 -0.00489 -0.00317 0.01406 -0.01102 47 4XY 0.00676 0.00062 -0.02332 -0.00272 -0.00167 48 4XZ -0.00059 0.00526 -0.02197 0.00980 0.00875 49 4YZ -0.00539 0.00242 -0.00075 0.00591 0.00926 50 4 C 1S 0.00780 0.04406 0.00177 -0.01416 -0.00063 51 2S -0.03557 -0.04971 -0.06178 0.05412 -0.01629 52 2PX 0.07241 -0.09729 -0.02697 0.00438 -0.10771 53 2PY 0.06426 -0.07926 0.02177 0.00737 0.06116 54 2PZ 0.02409 0.03573 0.10325 -0.04131 -0.20966 55 3S -0.28822 -1.46900 0.29228 0.31219 -0.45627 56 3PX 0.06059 -0.68537 0.22279 -0.01881 -0.64320 57 3PY 0.21764 -0.80780 0.03207 0.16959 0.25751 58 3PZ 0.01918 -0.19146 0.66327 0.00053 -1.69537 59 4XX -0.00068 0.00524 -0.00203 0.00418 0.00504 60 4YY -0.01645 -0.00814 -0.00595 0.00179 -0.01341 61 4ZZ 0.00903 -0.00014 -0.00197 0.00055 0.00278 62 4XY -0.01029 -0.00410 -0.00341 0.00687 -0.00047 63 4XZ -0.00241 -0.00377 -0.00389 0.00357 0.00072 64 4YZ 0.01142 0.01510 -0.00376 -0.01005 0.02038 65 5 C 1S 0.03911 0.03290 -0.01289 -0.00900 0.04157 66 2S -0.01826 -0.06060 0.00935 0.01725 -0.02452 67 2PX 0.01383 0.13404 -0.02885 -0.01586 0.05046 68 2PY -0.14846 -0.18120 -0.05853 0.09806 0.02797 69 2PZ 0.00262 -0.05856 0.05453 0.02792 -0.24339 70 3S -0.94792 -0.41181 0.28014 0.05247 -1.68082 71 3PX 0.27818 0.79627 0.06934 0.38814 0.44171 72 3PY -0.76063 -0.82104 -0.22849 0.55751 0.00132 73 3PZ 0.00675 0.20603 0.36946 0.21174 -1.10241 74 4XX 0.00854 -0.01172 -0.00188 -0.00067 -0.00906 75 4YY 0.00932 0.03314 -0.00124 -0.01280 0.00417 76 4ZZ -0.01059 -0.01262 -0.00495 0.00985 0.00226 77 4XY -0.01237 -0.00602 0.00577 0.00383 -0.01087 78 4XZ -0.01175 -0.01918 0.00624 0.00300 -0.00277 79 4YZ -0.00598 0.01096 0.00878 -0.00788 -0.01756 80 6 C 1S -0.04559 -0.13830 -0.01897 -0.04739 0.02358 81 2S -0.01091 0.16280 -0.00268 0.09299 -0.05070 82 2PX 0.00388 0.09709 -0.04911 -0.22572 -0.02125 83 2PY -0.17389 -0.07012 0.02369 0.13238 -0.17862 84 2PZ -0.12996 0.02436 -0.00469 -0.03786 0.02262 85 3S 1.53863 2.93157 0.51211 2.32255 -0.90632 86 3PX -0.04032 -0.09194 -0.25115 -1.43818 0.63377 87 3PY -0.75103 -0.18700 0.02284 0.42227 -1.37625 88 3PZ -0.55870 -0.15048 -0.29176 -0.50373 0.05916 89 4XX 0.00008 0.00185 -0.00714 0.00748 -0.00615 90 4YY -0.00926 -0.01236 -0.00091 0.00712 -0.00689 91 4ZZ -0.00507 -0.00807 -0.00666 0.00249 0.00350 92 4XY 0.00339 -0.00539 -0.00379 -0.00432 0.00320 93 4XZ 0.00076 -0.00409 -0.00448 0.00531 -0.01335 94 4YZ -0.00851 -0.01441 -0.00365 0.00755 0.01162 95 7 C 1S -0.08931 0.11191 -0.00616 -0.03479 -0.02161 96 2S 0.06027 -0.13996 -0.10720 0.08910 0.02011 97 2PX 0.17942 0.00657 -0.08771 -0.10574 -0.07925 98 2PY -0.00222 0.09914 0.05680 0.23527 0.05273 99 2PZ 0.12747 0.06256 0.06556 -0.01670 -0.12812 100 3S 2.52681 -2.14704 0.37800 1.83866 0.76335 101 3PX 0.76904 0.14655 0.13266 -0.29426 -0.83779 102 3PY 0.10165 -0.12128 -0.13637 1.80699 0.65412 103 3PZ 0.66193 0.12419 -0.07507 0.27816 -0.82759 104 4XX -0.00757 0.00072 -0.01031 0.00342 -0.01439 105 4YY 0.00320 0.00995 -0.02230 0.00822 0.01842 106 4ZZ -0.00421 0.00793 -0.00488 0.00129 -0.01026 107 4XY -0.00524 0.00306 0.00420 -0.00321 -0.00789 108 4XZ -0.01102 0.01048 0.00052 0.01042 -0.00030 109 4YZ -0.00290 0.00611 -0.00146 0.00301 -0.00278 110 8 C 1S 0.04168 -0.03315 0.01466 -0.02846 -0.05923 111 2S 0.02484 0.08596 -0.04505 -0.00545 0.01737 112 2PX 0.18857 -0.10873 -0.02785 -0.09514 -0.11222 113 2PY -0.07977 0.02116 0.03970 -0.00452 -0.09531 114 2PZ 0.05580 -0.04529 0.07980 -0.05935 0.14023 115 3S -1.16682 0.24261 -0.32652 0.73138 2.07275 116 3PX 0.93024 -0.28838 -0.01607 -0.59357 -0.66712 117 3PY -0.72975 0.55478 0.34129 -0.79573 -0.61506 118 3PZ 0.65060 -0.05418 -0.01479 -0.62768 0.13258 119 4XX 0.02289 -0.00961 -0.00966 -0.01680 -0.00269 120 4YY -0.00480 0.02239 -0.01168 -0.00031 -0.01293 121 4ZZ -0.00400 -0.01482 0.01485 0.00617 0.00690 122 4XY -0.01355 0.00496 -0.00059 -0.00293 0.01090 123 4XZ 0.00949 -0.01129 -0.01925 -0.01377 0.01496 124 4YZ -0.01541 0.01466 -0.00434 0.00685 0.02325 125 9 C 1S 0.01382 -0.03180 0.01340 0.00826 -0.00075 126 2S -0.05159 0.01045 -0.08642 0.04079 0.00495 127 2PX -0.06648 0.02607 -0.02994 0.05616 -0.06346 128 2PY -0.02419 -0.00202 0.06545 -0.04585 -0.21264 129 2PZ -0.04818 -0.10826 -0.00344 0.05067 -0.00268 130 3S -0.37636 1.29035 -0.27901 -0.62253 0.45813 131 3PX -0.29095 -0.26113 0.34095 0.01971 -0.52508 132 3PY -0.02844 -0.28932 0.53067 -0.32214 -1.74641 133 3PZ -0.10407 -1.04319 0.16633 0.49873 -0.21378 134 4XX 0.01355 -0.00373 0.00503 -0.01229 -0.00682 135 4YY -0.00676 0.00917 -0.00084 -0.00112 0.00467 136 4ZZ -0.01513 -0.00421 -0.01559 0.01183 0.00440 137 4XY 0.00897 0.00155 -0.00091 0.00042 -0.00781 138 4XZ -0.00318 -0.00195 -0.00566 -0.00277 0.00381 139 4YZ 0.01187 -0.01492 0.00883 -0.00011 -0.02069 140 10 H 1S -0.05558 -0.04367 -0.00807 0.01777 -0.07665 141 2S 0.35335 -0.44427 -0.01890 0.00642 0.30474 142 11 H 1S -0.05726 -0.00243 0.04086 0.03075 -0.10904 143 2S -0.07419 0.04470 0.04894 0.58030 -0.32044 144 12 H 1S -0.05772 -0.00354 -0.05764 0.03873 0.12970 145 2S -0.22209 -0.15591 -0.10432 0.82949 -0.02399 146 13 H 1S -0.05990 0.02254 -0.06858 0.04044 0.08967 147 2S 0.28210 0.47618 0.08235 -0.35671 -0.26588 148 14 C 1S 0.02579 0.04749 0.01318 0.05726 -0.01595 149 2S -0.01385 -0.04231 0.00300 0.03456 -0.02945 150 2PX 0.01505 -0.02622 0.00973 -0.02125 -0.04058 151 2PY 0.16366 -0.02883 -0.02418 -0.01085 0.07806 152 2PZ 0.10299 -0.04492 -0.02100 -0.01628 0.05776 153 3S -0.77955 -1.15421 -0.49394 -2.06129 0.96217 154 3PX -0.42705 -0.79270 -0.34339 -1.63579 0.67163 155 3PY 0.84712 0.24629 0.04207 0.10900 0.50302 156 3PZ 0.27639 -0.39148 -0.15790 -1.13279 0.57086 157 4XX 0.00785 0.01048 0.00626 0.02020 -0.00924 158 4YY -0.00057 -0.01311 -0.00260 -0.01586 0.00481 159 4ZZ -0.00678 0.00525 0.00170 0.00936 0.00254 160 4XY -0.01265 0.00645 0.00298 -0.00129 -0.01506 161 4XZ -0.00705 0.00594 0.00543 0.01034 -0.00244 162 4YZ -0.01298 -0.01224 -0.00415 -0.01644 0.00101 163 15 H 1S 0.03438 -0.03724 -0.01273 -0.03222 0.04872 164 2S -0.64823 0.02283 0.05363 0.03488 -0.47786 165 16 H 1S -0.03848 0.01206 -0.00031 -0.06682 -0.00700 166 2S 0.93713 0.04812 -0.07021 -0.54083 0.58044 167 17 C 1S 0.04795 -0.03424 0.00749 0.05222 0.01039 168 2S -0.04403 0.04465 -0.00797 0.05357 0.05410 169 2PX -0.11220 -0.07954 -0.00505 0.01576 0.09834 170 2PY -0.04203 -0.08188 0.01514 0.01319 -0.08038 171 2PZ -0.08394 -0.08057 -0.02058 0.00559 0.03156 172 3S -1.18688 0.76761 -0.02652 -2.14024 -0.84585 173 3PX -0.74680 -0.06716 -0.09089 -0.19569 0.28028 174 3PY 0.58313 -0.72431 0.08593 1.83103 0.48123 175 3PZ -0.40324 -0.35520 -0.02233 0.61157 0.57823 176 4XX -0.00377 0.00916 -0.00294 -0.00844 -0.00717 177 4YY 0.00722 -0.01053 0.01135 0.02384 0.00383 178 4ZZ -0.00284 -0.00027 -0.00051 0.00020 0.00868 179 4XY -0.01160 -0.00822 0.00000 -0.00495 0.00850 180 4XZ -0.01442 0.01117 0.00147 -0.01669 -0.00619 181 4YZ -0.00825 -0.00909 -0.00222 0.00435 0.01417 182 18 H 1S -0.02739 -0.02222 -0.00105 -0.06589 0.03538 183 2S 0.92117 0.38664 0.04935 -0.48927 -0.39524 184 19 H 1S 0.02119 0.04824 0.00287 -0.02278 -0.05626 185 2S -0.42749 -0.23112 -0.08627 0.02358 0.52229 66 67 68 69 70 V V V V V Eigenvalues -- 0.35193 0.36611 0.38936 0.40492 0.41497 1 1 S 1S 0.00517 -0.00002 -0.02727 0.00205 0.02060 2 2S 0.00990 -0.01803 -0.02653 0.04156 -0.00349 3 2PX 0.11238 -0.03057 -0.01473 0.07839 0.05289 4 2PY 0.06601 -0.02621 0.09069 0.12869 -0.12811 5 2PZ 0.20640 -0.03179 0.02206 -0.09475 -0.00759 6 3S 0.18033 -0.05571 -0.82354 0.17837 0.54542 7 3PX -0.46630 0.14741 0.10649 -0.33874 -0.23001 8 3PY -0.27628 0.11342 -0.35455 -0.52120 0.50955 9 3PZ -0.85736 0.12177 -0.10052 0.39039 0.05400 10 4S -0.48833 0.26185 2.09442 -0.89541 -1.06237 11 4PX 0.75053 -0.45792 -0.95424 0.93173 0.43782 12 4PY 0.33197 -0.36824 0.83443 0.72152 -0.74387 13 4PZ 1.35918 -0.10481 0.09162 -0.71692 -0.29117 14 5XX 0.02831 -0.06836 -0.12579 -0.01753 -0.01178 15 5YY -0.05105 0.04111 0.03248 0.08172 -0.04351 16 5ZZ 0.00688 0.01159 0.03823 -0.01515 0.09081 17 5XY -0.03194 -0.05563 0.03541 0.06922 -0.05337 18 5XZ 0.07689 0.02042 0.03375 -0.05783 0.01015 19 5YZ -0.03042 0.05777 -0.09000 -0.07485 0.08160 20 2 O 1S -0.01131 0.00021 0.03596 -0.00382 -0.00907 21 2S -0.01020 -0.03272 -0.02710 0.08616 -0.03403 22 2PX -0.00178 0.07416 0.07273 -0.11374 0.00974 23 2PY 0.02496 0.01023 -0.13259 -0.14640 0.16724 24 2PZ -0.05127 -0.05311 0.08713 0.08189 -0.05127 25 3S 0.25353 0.10741 -0.76747 -0.24248 0.41940 26 3PX -0.07846 0.07593 0.12632 -0.10762 -0.02973 27 3PY -0.11553 0.01343 0.15637 -0.08570 0.01204 28 3PZ -0.11990 0.01142 -0.09336 0.07807 0.05697 29 4XX -0.01318 -0.01454 0.03128 0.03114 -0.03015 30 4YY 0.01593 -0.01744 -0.01280 -0.00077 0.00889 31 4ZZ -0.03589 0.00374 0.01389 0.02765 -0.00884 32 4XY 0.02291 0.00018 -0.00614 0.00076 0.01281 33 4XZ -0.00113 -0.00483 0.01038 -0.00496 -0.01266 34 4YZ 0.01470 -0.00470 0.04059 0.01079 -0.02642 35 3 O 1S -0.01446 0.01945 0.02779 -0.01636 -0.00428 36 2S -0.05009 -0.00961 -0.05882 -0.01669 0.02239 37 2PX -0.08582 0.03217 0.02030 -0.01196 0.00715 38 2PY -0.13178 0.07247 -0.11722 -0.03663 -0.03383 39 2PZ -0.15023 -0.04334 0.02510 -0.05107 0.01006 40 3S 0.53064 -0.34573 -0.42339 0.49797 0.03666 41 3PX 0.13476 0.01019 0.01217 0.02104 0.02527 42 3PY 0.13186 -0.00173 -0.29190 -0.01632 0.00357 43 3PZ -0.07861 -0.16096 -0.13722 0.20315 -0.02217 44 4XX -0.02339 0.02884 0.00742 -0.00794 0.02769 45 4YY -0.00727 0.00779 -0.01008 -0.03556 0.00009 46 4ZZ -0.04149 -0.00155 0.00292 0.00886 -0.01471 47 4XY 0.03683 -0.00200 -0.01555 0.01080 0.00365 48 4XZ 0.02449 -0.02226 -0.00263 0.01175 -0.01409 49 4YZ 0.02878 -0.01298 -0.02204 0.01943 0.00935 50 4 C 1S 0.01581 0.08364 0.03097 0.00855 0.03476 51 2S 0.05153 -0.07970 -0.05779 0.14017 0.08410 52 2PX 0.01034 -0.08661 -0.01750 0.05980 -0.00410 53 2PY -0.04819 -0.17444 -0.10390 -0.02475 -0.02778 54 2PZ -0.01490 0.11860 -0.12231 0.05077 -0.08000 55 3S -0.65896 -2.47480 -1.75185 -0.30641 -2.01034 56 3PX -0.12468 -0.67256 -0.60294 -0.04135 -0.62489 57 3PY -0.53593 -1.81317 -0.94861 -0.22029 -1.29514 58 3PZ 0.20853 0.24481 -0.95557 -0.44649 -0.98741 59 4XX -0.00379 0.00321 0.00082 -0.00484 0.00671 60 4YY 0.01666 -0.00101 -0.01231 0.02604 0.01363 61 4ZZ 0.00052 0.00105 -0.00500 0.01086 -0.00999 62 4XY -0.00218 0.01364 -0.00662 0.01180 0.00582 63 4XZ 0.00295 -0.00561 0.00203 0.01287 0.00734 64 4YZ 0.00065 0.00060 -0.00658 0.00840 0.02119 65 5 C 1S -0.02103 -0.05974 -0.03516 -0.00836 -0.04090 66 2S 0.00721 0.12932 0.04126 0.00774 0.05517 67 2PX -0.04091 0.17019 -0.02681 -0.00703 -0.00606 68 2PY 0.08612 0.01134 0.21999 -0.02539 0.27564 69 2PZ 0.09035 0.08211 0.04248 -0.04250 -0.11433 70 3S 0.63222 0.81643 0.85578 0.14153 1.26229 71 3PX 0.22435 0.36281 -0.19037 -0.46399 -0.25571 72 3PY 0.12747 -0.45189 0.98781 0.04900 1.06238 73 3PZ 0.44667 1.04131 0.30035 -0.32943 0.70918 74 4XX -0.00150 0.00761 0.00817 -0.01595 -0.00770 75 4YY -0.00480 0.01582 -0.00675 0.00775 0.00835 76 4ZZ 0.00827 -0.02522 0.00029 -0.00114 0.00309 77 4XY -0.01060 0.00761 0.01420 0.00256 0.01947 78 4XZ -0.01514 0.00507 0.00107 -0.00267 0.00192 79 4YZ 0.00052 0.00173 -0.01196 0.01427 -0.00476 80 6 C 1S 0.00197 0.05254 0.02034 -0.01591 0.02936 81 2S 0.10718 -0.03529 -0.21881 0.10571 0.10797 82 2PX 0.04035 0.02099 -0.20006 0.17958 -0.10611 83 2PY 0.06908 -0.08075 0.08342 0.11385 0.20103 84 2PZ -0.06289 -0.08220 0.09781 0.18111 -0.00180 85 3S -0.37033 -1.61476 0.46420 -0.14768 -0.28901 86 3PX -0.09090 0.73548 -1.14410 1.87871 -1.54298 87 3PY 0.10528 -0.93067 1.21702 0.77135 1.22716 88 3PZ -0.01070 -0.10433 -0.02691 1.74924 -0.34712 89 4XX -0.00686 0.00424 -0.00258 0.00985 0.03418 90 4YY 0.02030 0.00407 -0.00379 -0.00160 0.00187 91 4ZZ 0.00121 -0.00472 -0.02206 0.01041 0.00308 92 4XY -0.01288 -0.00196 -0.00267 -0.00293 -0.02226 93 4XZ 0.00439 0.00134 -0.01882 0.00773 0.02777 94 4YZ 0.00644 0.00996 -0.00040 -0.00436 0.01020 95 7 C 1S -0.00336 -0.06067 0.00380 0.00873 -0.03394 96 2S 0.02338 0.04812 -0.13398 0.08080 0.17984 97 2PX -0.08926 -0.13740 0.11753 0.17550 0.15417 98 2PY 0.07195 0.08204 -0.04619 0.05895 -0.09271 99 2PZ 0.01489 -0.06244 0.01226 0.16637 0.01542 100 3S 0.23657 2.18247 0.17112 -0.32415 0.00618 101 3PX -0.13625 -1.10220 0.79290 0.73458 1.40697 102 3PY 0.13734 1.06338 -0.52653 1.99132 -1.90863 103 3PZ -0.15010 -0.24413 0.45662 1.44769 0.10083 104 4XX 0.00981 0.00096 0.01964 -0.01091 -0.01700 105 4YY -0.00529 0.00452 -0.03228 0.01878 0.01648 106 4ZZ -0.00532 -0.00317 0.00957 0.00817 0.00742 107 4XY -0.00219 -0.00204 0.00340 0.01554 0.00870 108 4XZ 0.01959 -0.01232 -0.01810 0.00970 0.01504 109 4YZ 0.00221 -0.00254 -0.02326 0.01599 0.00144 110 8 C 1S -0.01337 0.05345 0.02695 0.01029 0.03911 111 2S 0.10798 -0.05600 0.11539 -0.15383 -0.11096 112 2PX -0.00121 -0.05742 -0.00237 0.05703 0.03503 113 2PY 0.12192 0.04699 -0.10843 0.06336 -0.12817 114 2PZ -0.00225 -0.00068 0.04976 0.16313 0.18329 115 3S -0.19336 -0.88891 -1.15708 0.33653 -0.99629 116 3PX -0.11312 0.12701 0.45444 0.24092 1.27998 117 3PY 0.34315 1.20622 -0.37950 -0.75436 0.02139 118 3PZ -0.11003 -0.15085 1.19485 -0.62342 0.49584 119 4XX 0.00078 0.00087 0.01463 -0.00439 0.01683 120 4YY 0.01889 0.01556 0.02418 -0.00668 -0.02535 121 4ZZ -0.01357 -0.01469 -0.01724 -0.01020 -0.01197 122 4XY 0.01097 0.02112 -0.00610 -0.01904 -0.00122 123 4XZ 0.01069 0.00015 0.00552 -0.01235 -0.00266 124 4YZ -0.00559 -0.00584 0.00274 0.00686 0.00122 125 9 C 1S -0.01693 -0.07636 -0.02324 -0.02628 -0.03516 126 2S 0.02666 0.03566 -0.11241 0.15230 0.04804 127 2PX -0.07721 0.04201 -0.06743 -0.01746 -0.14305 128 2PY 0.09660 0.13671 -0.06351 -0.05998 -0.06386 129 2PZ -0.01990 -0.17711 0.00811 -0.05014 -0.08738 130 3S 0.54827 2.53092 1.54350 0.10346 2.01760 131 3PX -0.01881 -0.45891 -0.90367 -0.20555 -0.78856 132 3PY 0.15701 0.47556 -0.96654 0.03342 -0.47740 133 3PZ -0.38033 -1.72659 -1.27692 -0.24943 -1.19762 134 4XX 0.00256 0.00073 -0.00985 -0.00802 0.00371 135 4YY 0.00187 0.00840 0.00337 -0.00202 0.01199 136 4ZZ -0.00201 -0.01229 -0.01256 0.01036 0.00466 137 4XY -0.00160 -0.00237 0.00150 0.00703 0.00133 138 4XZ -0.00046 -0.00898 -0.01825 0.01760 0.00500 139 4YZ -0.00346 -0.00927 -0.01062 0.01276 -0.00567 140 10 H 1S 0.02955 0.03058 -0.02659 0.08316 0.01544 141 2S -0.31112 -0.94351 -0.34385 -0.09564 -0.48066 142 11 H 1S -0.01914 -0.04622 -0.02248 0.01617 0.01158 143 2S 0.32093 0.12986 0.33618 -0.34226 0.37396 144 12 H 1S -0.01606 0.06265 -0.04695 0.00276 0.03098 145 2S -0.31943 0.04342 -0.41144 0.37659 -0.25946 146 13 H 1S -0.01399 -0.05709 -0.02502 0.07978 0.00642 147 2S 0.20452 0.85224 0.40678 0.19669 0.39420 148 14 C 1S -0.00039 -0.01770 0.00922 -0.01496 0.00283 149 2S 0.03298 0.02619 -0.03778 -0.01354 0.15576 150 2PX 0.02446 0.11081 -0.05019 0.08683 0.17426 151 2PY -0.02956 0.02629 -0.06687 -0.02238 -0.01927 152 2PZ -0.02578 -0.00818 -0.04967 -0.00972 0.03898 153 3S -0.01469 0.86654 -0.91363 1.53883 -1.33682 154 3PX -0.02545 0.81875 -0.61003 1.35053 -0.94320 155 3PY -0.13556 0.02809 -0.26275 -0.96803 -0.17707 156 3PZ -0.03557 0.62205 -0.67194 0.35917 -0.69117 157 4XX 0.01146 -0.00544 -0.01421 -0.00990 0.00766 158 4YY 0.00097 0.01770 -0.01295 0.00849 -0.00460 159 4ZZ -0.00200 -0.00413 0.01392 0.00497 0.00756 160 4XY 0.00464 -0.00906 0.01564 0.00898 0.01153 161 4XZ 0.00410 -0.00299 0.01140 0.00023 0.00634 162 4YZ 0.00624 0.00607 -0.00382 0.01808 -0.00399 163 15 H 1S -0.00629 0.08100 -0.09727 0.05744 -0.06757 164 2S 0.13117 0.09868 0.25165 0.91272 0.17018 165 16 H 1S 0.01924 0.01607 0.01297 0.09523 -0.01611 166 2S -0.14580 0.40245 -0.57050 -0.13703 -0.40378 167 17 C 1S 0.01090 0.03489 -0.00097 0.00246 -0.00677 168 2S 0.01856 -0.01629 -0.18773 0.08041 0.07088 169 2PX 0.01045 -0.01611 -0.10047 -0.07091 0.03686 170 2PY -0.00847 0.07845 0.13486 0.01087 -0.03128 171 2PZ 0.00371 0.04163 0.12081 -0.07632 -0.10636 172 3S -0.25267 -1.40357 0.67993 -1.31498 1.28872 173 3PX -0.01841 0.00399 -0.08912 -0.87286 -0.25663 174 3PY 0.29474 1.56558 -0.40300 1.07226 -1.07384 175 3PZ 0.12431 0.50809 -0.31651 -0.31179 -0.38738 176 4XX 0.00014 -0.00785 -0.00786 0.00718 0.01696 177 4YY 0.01271 0.01455 -0.02119 0.00151 0.00815 178 4ZZ -0.00323 -0.00985 -0.00570 -0.00755 0.00574 179 4XY 0.00427 0.00513 0.00146 -0.02066 -0.02498 180 4XZ -0.00028 -0.02010 -0.00872 -0.01003 0.01413 181 4YZ 0.00678 0.00541 0.00024 -0.01690 -0.00290 182 18 H 1S 0.01081 -0.05194 -0.02527 -0.10541 0.02610 183 2S -0.09620 -0.59346 0.13066 0.40749 0.54019 184 19 H 1S -0.02233 -0.08883 -0.01379 0.00741 0.12311 185 2S 0.00170 -0.11857 -0.17794 -0.95028 -0.14029 71 72 73 74 75 V V V V V Eigenvalues -- 0.42869 0.47559 0.49049 0.51815 0.53002 1 1 S 1S -0.00095 0.00016 -0.00483 -0.00287 0.01019 2 2S -0.03385 0.00890 -0.00997 -0.00247 0.01108 3 2PX -0.05000 0.01924 -0.06762 -0.01954 0.03298 4 2PY -0.13701 0.00620 -0.02220 0.01524 -0.00980 5 2PZ 0.07881 -0.01015 0.02307 -0.00246 -0.02089 6 3S -0.12326 0.02709 -0.16290 -0.08108 0.31258 7 3PX 0.21896 -0.08596 0.27788 0.06556 -0.15467 8 3PY 0.56191 -0.01709 0.08808 -0.06454 0.03104 9 3PZ -0.32030 0.05272 -0.09812 0.00944 0.09326 10 4S 0.63495 -0.08335 0.51461 0.25171 -0.82947 11 4PX -0.56072 0.09845 -0.44937 -0.03667 0.47504 12 4PY -0.49358 0.05153 0.04673 0.18201 -0.12551 13 4PZ 0.43516 -0.09922 0.23394 0.09965 -0.24691 14 5XX 0.03507 -0.07088 0.16910 0.20123 -0.00540 15 5YY -0.12087 -0.03812 -0.06382 -0.04398 0.01903 16 5ZZ 0.04016 0.13135 -0.11590 -0.17113 0.01031 17 5XY -0.01353 -0.00116 0.03368 0.06355 0.06299 18 5XZ 0.02030 -0.01448 0.03727 -0.01568 -0.00526 19 5YZ 0.02882 -0.00909 -0.10834 -0.08225 0.04065 20 2 O 1S 0.00791 -0.00222 0.00871 0.00207 -0.00897 21 2S -0.04510 0.04870 -0.04984 0.04082 0.02651 22 2PX 0.02287 -0.02607 0.04360 -0.07043 -0.05407 23 2PY 0.16900 0.01498 0.02686 -0.00143 0.03121 24 2PZ -0.01593 0.07652 0.03119 0.01780 -0.01531 25 3S 0.06421 -0.07300 -0.05805 -0.15518 0.15350 26 3PX 0.06283 -0.00624 0.02205 0.01306 -0.05085 27 3PY 0.10684 -0.01163 0.05101 -0.00940 -0.05524 28 3PZ -0.07114 0.00192 -0.06411 -0.02571 0.05126 29 4XX -0.01396 0.00943 0.00624 0.02743 -0.00712 30 4YY 0.02214 0.02142 -0.00756 0.01206 0.00733 31 4ZZ -0.01589 0.01048 -0.02704 0.00486 0.00724 32 4XY -0.00147 0.00259 -0.00894 -0.00777 -0.00210 33 4XZ 0.01016 0.00453 0.01296 0.01021 -0.00328 34 4YZ -0.01065 0.00632 0.00250 -0.00366 -0.01212 35 3 O 1S 0.00319 0.00268 0.00365 -0.00335 0.00685 36 2S -0.01108 -0.02749 -0.00650 0.01085 0.09041 37 2PX 0.03516 0.04166 0.03796 0.04167 -0.13701 38 2PY -0.01272 0.02620 -0.05503 -0.01191 0.09608 39 2PZ 0.06330 -0.00253 -0.01023 -0.07968 0.12273 40 3S -0.05063 0.12495 -0.18462 -0.09314 -0.51536 41 3PX -0.07882 -0.03691 -0.00955 -0.02503 0.23262 42 3PY -0.03448 0.07769 0.00547 0.03561 0.11427 43 3PZ 0.02593 -0.03565 -0.07030 0.02181 -0.07723 44 4XX -0.00875 0.02376 -0.04207 -0.03137 -0.01772 45 4YY 0.01696 -0.00502 0.02753 0.00751 0.04553 46 4ZZ -0.01521 -0.02636 0.00955 0.02142 0.03850 47 4XY -0.01225 0.01592 -0.03295 -0.02345 -0.01006 48 4XZ -0.01810 -0.02191 0.00082 0.00621 0.04492 49 4YZ -0.01225 -0.00369 0.01248 0.02960 0.01891 50 4 C 1S -0.01368 0.01223 0.01735 0.00042 0.00970 51 2S -0.16999 0.07221 0.11591 -0.13293 0.04852 52 2PX -0.04118 0.20918 -0.21387 0.08946 -0.25283 53 2PY 0.01306 0.02831 0.05709 -0.07808 0.10429 54 2PZ -0.06427 0.35473 0.27172 -0.08537 -0.06784 55 3S 0.99761 -0.03764 -0.10905 0.04658 -0.32849 56 3PX 0.22985 -0.33357 0.08266 -0.14370 0.03378 57 3PY 0.64428 -0.18112 -0.13631 -0.04557 -0.25623 58 3PZ -0.46817 -0.33539 -0.34302 0.19510 0.14733 59 4XX 0.00373 0.00486 -0.00962 0.01753 -0.00655 60 4YY -0.02094 -0.00860 0.05213 0.01004 0.00340 61 4ZZ -0.01024 0.01196 -0.00127 -0.05017 0.02023 62 4XY -0.01061 0.01870 0.01376 -0.00367 -0.01782 63 4XZ -0.00033 0.01359 0.01343 -0.00250 0.01338 64 4YZ 0.00488 0.03270 0.02275 0.00052 -0.00170 65 5 C 1S 0.02125 -0.01794 -0.00666 0.00583 0.00746 66 2S -0.00900 0.15968 -0.00796 -0.04793 0.00269 67 2PX -0.04888 0.13226 -0.29778 -0.24467 -0.42830 68 2PY 0.07880 0.22071 0.04492 0.11249 0.10733 69 2PZ -0.04095 -0.08817 -0.01343 -0.09951 0.27990 70 3S -0.84190 -0.36367 -0.14882 -0.16697 -0.02231 71 3PX -0.53924 0.16073 0.22969 0.47990 1.10897 72 3PY -0.24860 -0.36167 -0.25266 -0.42077 -0.37839 73 3PZ -0.94786 0.45695 -0.07292 0.00256 -0.46276 74 4XX -0.00090 0.01322 -0.01574 -0.02460 0.01588 75 4YY 0.00003 0.02796 0.00800 0.00570 0.00738 76 4ZZ -0.00458 -0.04295 -0.00209 0.01323 0.01700 77 4XY 0.01125 -0.01390 0.03071 0.02383 -0.01960 78 4XZ -0.00045 -0.01229 -0.00120 0.01324 -0.04484 79 4YZ 0.00027 0.00839 0.04693 0.03106 -0.02445 80 6 C 1S -0.04035 -0.00600 0.02130 0.02825 0.00257 81 2S -0.07154 -0.06588 0.03886 -0.20780 0.02092 82 2PX 0.12768 0.00662 -0.22363 0.01175 -0.03422 83 2PY 0.20118 -0.14187 -0.09296 0.00994 -0.19421 84 2PZ 0.20926 -0.10049 0.12426 -0.31359 -0.07677 85 3S 0.57952 0.32793 -0.02849 0.55450 0.41563 86 3PX 1.94292 -0.34460 0.79146 0.22530 0.26921 87 3PY 0.49393 -0.08130 -0.07155 -0.36602 -0.48006 88 3PZ 1.81007 -0.43049 0.31798 0.18082 0.25184 89 4XX -0.02317 -0.02315 0.04506 0.00948 -0.01066 90 4YY 0.00179 0.03647 -0.00243 -0.01048 0.05042 91 4ZZ -0.01663 -0.02208 -0.01632 -0.00130 -0.01810 92 4XY -0.01016 -0.01388 -0.02871 -0.03106 -0.01439 93 4XZ -0.04143 -0.02953 0.01945 0.02906 -0.01193 94 4YZ -0.01625 0.00705 0.00256 -0.02000 0.03848 95 7 C 1S 0.04227 0.00121 0.01086 -0.01957 -0.04608 96 2S -0.15277 -0.09286 0.03916 -0.19498 0.11486 97 2PX 0.17788 0.06416 -0.17609 0.12434 0.18630 98 2PY 0.28754 0.02985 -0.02708 0.03730 -0.09704 99 2PZ 0.16658 -0.04869 0.21160 -0.19057 -0.00450 100 3S -0.17182 0.41973 -0.30326 0.13865 0.21187 101 3PX 0.39358 -0.11385 0.04042 -0.24577 -0.20416 102 3PY 2.35538 -0.20461 0.30802 0.23745 0.62844 103 3PZ 1.31416 -0.19671 -0.04945 0.02434 0.10343 104 4XX 0.00155 0.02756 0.00365 -0.03724 0.02078 105 4YY -0.00593 -0.03000 0.01677 -0.01288 -0.04890 106 4ZZ -0.00429 -0.00185 -0.01305 -0.02629 0.00691 107 4XY 0.00084 -0.02653 -0.02723 0.01456 0.01709 108 4XZ 0.01619 0.02776 -0.02141 -0.05164 0.00762 109 4YZ 0.00417 -0.03860 0.01486 -0.02535 -0.02972 110 8 C 1S -0.01771 -0.02129 -0.00048 0.01014 0.01919 111 2S 0.10330 0.10696 0.03099 -0.15864 -0.09969 112 2PX -0.00298 -0.19948 0.10820 0.33763 -0.00420 113 2PY -0.04578 0.17879 0.20417 0.11523 -0.03229 114 2PZ -0.17618 -0.21824 0.00259 0.04765 0.02297 115 3S 0.26465 -0.30240 -0.23743 0.16807 0.42788 116 3PX -0.54436 0.18528 -0.37834 -0.46671 0.21355 117 3PY -0.92077 -0.28463 -0.16583 -0.08334 -0.07922 118 3PZ 0.03976 0.14513 0.08677 -0.08530 -0.31317 119 4XX 0.00277 0.02141 -0.00713 -0.03326 0.00344 120 4YY 0.01184 -0.04204 -0.01711 -0.00626 0.02569 121 4ZZ 0.00527 0.01902 0.02370 0.02630 -0.02313 122 4XY -0.01056 -0.02774 0.01257 0.00016 -0.02964 123 4XZ -0.00488 -0.01719 0.03731 0.02051 -0.00169 124 4YZ -0.00278 -0.00312 0.03070 0.03202 -0.03006 125 9 C 1S 0.02126 0.01089 0.00004 -0.00895 -0.02234 126 2S -0.11748 0.06281 0.11912 -0.17580 0.08204 127 2PX -0.03446 -0.12897 -0.25600 0.29417 0.11323 128 2PY -0.03923 -0.35078 -0.11781 -0.07311 0.13417 129 2PZ 0.00143 -0.13162 0.01392 -0.05041 -0.08585 130 3S -0.80992 0.04275 -0.06663 0.17375 0.13122 131 3PX -0.14523 0.27421 0.30142 -0.18436 -0.29818 132 3PY -0.65455 0.56026 0.25548 0.10651 -0.14548 133 3PZ 0.71687 0.27467 0.04488 0.01702 -0.11769 134 4XX 0.00889 -0.00101 0.01629 -0.00366 0.02067 135 4YY -0.01587 0.00083 -0.02674 -0.04628 -0.00701 136 4ZZ -0.01524 0.00809 0.03042 0.00424 -0.01971 137 4XY -0.00557 0.00754 0.00136 -0.02021 0.01776 138 4XZ -0.02428 0.01925 0.02550 -0.01427 -0.00943 139 4YZ -0.00501 0.03589 -0.00054 0.00692 -0.00501 140 10 H 1S -0.09843 0.00216 0.16387 0.01570 -0.05346 141 2S 0.31198 -0.07468 -0.11096 -0.15619 -0.06727 142 11 H 1S -0.00138 -0.10607 0.12447 0.14002 -0.07277 143 2S -0.49318 0.27194 -0.24302 -0.14239 0.13828 144 12 H 1S -0.05560 -0.12849 0.14030 0.14283 -0.02822 145 2S 0.48059 0.17028 -0.13022 -0.12166 0.25047 146 13 H 1S -0.07423 -0.00240 0.11653 0.00984 -0.09161 147 2S -0.36139 -0.04097 -0.05866 -0.03938 0.14403 148 14 C 1S -0.00284 0.00348 -0.00623 -0.00975 0.00259 149 2S -0.15208 -0.11044 0.15556 0.09537 0.01058 150 2PX -0.05877 -0.06139 0.12695 0.34799 -0.24844 151 2PY -0.04162 -0.01183 -0.21868 0.04884 -0.32627 152 2PZ -0.12558 -0.24367 0.26974 -0.19395 0.16678 153 3S 1.62097 -0.18709 0.34479 0.03457 0.16955 154 3PX 1.32517 -0.25915 0.16077 -0.39064 0.44633 155 3PY -0.89478 0.28133 0.14451 0.16488 0.57728 156 3PZ 0.32408 0.21734 -0.09404 0.27426 0.02954 157 4XX -0.01302 -0.00704 -0.00339 0.01318 -0.00454 158 4YY -0.00847 -0.01031 0.00045 -0.01742 -0.00530 159 4ZZ 0.01322 -0.00214 0.02317 0.00463 0.02405 160 4XY 0.02344 0.02035 0.00993 0.02672 0.00987 161 4XZ 0.01345 0.01241 0.02162 -0.00313 0.02021 162 4YZ 0.02125 0.00144 -0.00089 0.00935 0.02240 163 15 H 1S 0.00001 -0.11804 -0.05219 -0.12870 -0.07664 164 2S 0.89925 -0.23478 0.13176 -0.11440 -0.09314 165 16 H 1S 0.13571 0.06829 0.08237 0.05486 0.16191 166 2S -0.31009 0.00937 0.06749 0.11516 0.18573 167 17 C 1S 0.00868 0.00121 -0.00475 -0.00140 0.00996 168 2S 0.05170 -0.08253 0.06835 -0.11170 -0.12942 169 2PX 0.05852 0.18515 -0.04980 0.23763 0.08379 170 2PY 0.05022 0.13506 -0.18294 0.12141 0.33245 171 2PZ -0.08710 0.05372 0.08622 -0.27617 0.03029 172 3S -1.59278 0.16566 -0.17879 -0.08139 -0.33667 173 3PX -0.91576 -0.09304 -0.04284 -0.19929 -0.25652 174 3PY 1.43093 -0.24348 0.32914 -0.03581 -0.10040 175 3PZ -0.12897 -0.00417 -0.10704 0.33048 -0.07972 176 4XX -0.00727 -0.01445 -0.01619 -0.00472 -0.00168 177 4YY 0.00884 -0.00708 0.01464 -0.02090 -0.00261 178 4ZZ -0.00362 0.01077 0.00051 0.00016 -0.00189 179 4XY -0.01426 0.02854 0.02094 0.00094 0.00111 180 4XZ -0.01315 0.00543 -0.00464 -0.01934 0.00598 181 4YZ -0.00826 0.03375 -0.00621 0.01084 0.01581 182 18 H 1S -0.09094 0.15142 0.01783 -0.01889 0.07899 183 2S 0.16190 -0.14213 0.02467 -0.03703 0.03991 184 19 H 1S -0.07224 -0.12555 -0.07503 -0.04700 -0.04345 185 2S -0.89181 0.17335 -0.05906 0.05971 -0.15340 76 77 78 79 80 V V V V V Eigenvalues -- 0.54000 0.55786 0.56891 0.58092 0.59231 1 1 S 1S -0.00542 -0.00014 -0.00592 -0.00774 -0.00771 2 2S 0.00067 0.00203 -0.01308 -0.00127 -0.00695 3 2PX -0.01411 0.00014 0.00603 0.00988 -0.01848 4 2PY 0.01019 -0.02266 0.01735 0.02885 0.01433 5 2PZ 0.02670 0.01234 -0.00622 0.00595 0.01041 6 3S -0.14920 0.00459 -0.21271 -0.21333 -0.22708 7 3PX 0.04245 -0.01938 -0.01557 -0.02693 0.10782 8 3PY -0.04720 0.10501 -0.07807 -0.10384 -0.06399 9 3PZ -0.10426 -0.04678 0.04869 -0.03821 -0.05888 10 4S 0.45519 0.09030 0.71255 0.34320 0.31090 11 4PX -0.15957 -0.00456 -0.33192 -0.16705 -0.30215 12 4PY 0.04521 -0.17146 0.52189 -0.09976 -0.08652 13 4PZ 0.42055 0.20441 -0.23369 0.09921 0.07159 14 5XX 0.03224 0.13666 -0.22826 -0.19493 -0.14438 15 5YY -0.01060 -0.06042 -0.05769 0.07240 0.08786 16 5ZZ -0.01482 -0.07517 0.29649 0.10193 0.01653 17 5XY -0.01164 -0.05152 0.15253 -0.16651 -0.14402 18 5XZ -0.10156 0.02701 -0.02697 0.04203 0.15174 19 5YZ 0.03784 -0.03878 -0.06046 0.14337 0.10823 20 2 O 1S -0.00160 -0.00350 0.01920 -0.00479 0.00037 21 2S -0.00556 0.07102 0.00666 0.02632 -0.01174 22 2PX -0.00473 0.01660 -0.16494 0.08044 0.10373 23 2PY -0.04301 0.05364 0.04787 -0.06092 -0.00477 24 2PZ -0.07312 0.02311 0.17220 -0.03320 -0.04238 25 3S 0.00978 -0.02632 -0.46433 0.00850 0.01295 26 3PX 0.00807 -0.00108 0.12715 0.02051 0.03524 27 3PY -0.01633 -0.03562 0.09042 -0.02753 -0.03549 28 3PZ 0.00604 -0.02476 -0.09758 0.02900 0.00058 29 4XX -0.00134 0.02831 -0.00046 -0.00605 -0.00915 30 4YY -0.00267 0.03357 0.02282 -0.00318 -0.01554 31 4ZZ -0.00304 0.00957 0.01849 0.02382 0.02119 32 4XY -0.00885 0.00911 -0.00748 0.01968 0.02819 33 4XZ -0.00259 0.00217 0.02456 -0.01199 -0.00731 34 4YZ 0.00044 -0.01026 0.03671 0.00785 0.00191 35 3 O 1S 0.00289 0.00142 0.00932 0.00580 0.01711 36 2S 0.00629 0.05446 -0.01977 0.08319 0.00387 37 2PX 0.05152 0.07620 -0.10756 -0.13743 -0.15640 38 2PY 0.07055 -0.11243 -0.03842 -0.00774 -0.00501 39 2PZ -0.03552 0.02646 0.08404 0.15369 0.17871 40 3S 0.06566 -0.28733 -0.15340 -0.36966 -0.56468 41 3PX -0.00862 0.09674 0.06922 0.10381 0.23545 42 3PY -0.02529 -0.00653 -0.10021 0.00843 -0.03317 43 3PZ 0.01310 -0.04820 -0.07282 -0.11202 -0.18957 44 4XX 0.03126 -0.01078 -0.01255 0.04929 -0.02268 45 4YY -0.00056 0.02429 -0.00208 0.02703 0.03111 46 4ZZ -0.00296 0.02574 0.00747 -0.01081 -0.00479 47 4XY 0.00139 0.00365 0.01858 -0.00733 -0.01028 48 4XZ -0.00559 -0.00601 -0.00006 0.01815 0.03017 49 4YZ -0.00586 0.00417 -0.03009 -0.00290 -0.01505 50 4 C 1S -0.00144 0.06282 0.01493 -0.00615 0.00371 51 2S 0.13475 0.04340 -0.10040 0.03823 0.21593 52 2PX -0.21438 0.21713 -0.33858 0.24214 -0.01458 53 2PY 0.21000 -0.26121 -0.01849 -0.03085 0.03665 54 2PZ 0.20623 -0.03674 -0.05709 -0.07197 0.17655 55 3S 0.28866 -0.67343 -0.47353 0.12559 0.09476 56 3PX 0.25915 -0.59985 0.25986 -0.16730 -0.03820 57 3PY -0.02911 -0.26048 -0.26910 0.07418 0.25415 58 3PZ -0.35066 -0.47512 -0.03057 0.03624 -0.27409 59 4XX 0.00571 -0.01820 -0.01186 0.03366 -0.02594 60 4YY -0.00721 0.03562 0.00954 -0.02357 0.03453 61 4ZZ 0.03066 0.05291 -0.00136 -0.00664 0.03583 62 4XY 0.00046 0.06502 -0.01071 -0.00372 0.00407 63 4XZ 0.01572 0.03262 0.00662 0.03752 0.01583 64 4YZ 0.01035 -0.01813 0.00638 -0.00119 -0.02698 65 5 C 1S -0.00860 -0.02628 -0.00044 0.00203 0.00043 66 2S 0.13675 -0.00700 -0.05138 0.02153 -0.04872 67 2PX 0.10038 0.11875 -0.03353 -0.20933 -0.23630 68 2PY 0.10701 -0.43007 -0.06735 0.13046 -0.19393 69 2PZ -0.02083 0.28884 0.06482 0.02052 0.26836 70 3S -0.61400 0.88675 0.48232 -0.14185 0.10692 71 3PX -0.21336 -0.01523 -0.13527 0.33662 0.54987 72 3PY -0.22515 1.26020 0.29913 -0.23008 0.46274 73 3PZ -0.20564 -0.09817 0.03944 -0.18106 -0.53348 74 4XX -0.00282 0.01911 0.01581 0.00691 0.03411 75 4YY 0.00107 0.00230 -0.00877 0.00478 -0.01388 76 4ZZ -0.00318 -0.02017 0.00652 0.01045 0.00144 77 4XY -0.00072 -0.01139 0.00419 0.02891 0.00069 78 4XZ -0.00692 0.01554 -0.01107 -0.03297 -0.02559 79 4YZ -0.01676 0.00861 0.00061 -0.00276 0.00440 80 6 C 1S 0.01886 -0.01050 0.00731 0.02832 -0.00572 81 2S 0.13070 -0.02877 0.17417 0.04366 0.08608 82 2PX -0.09128 -0.01710 0.06370 0.03083 0.00297 83 2PY 0.01757 -0.10141 0.07786 0.12439 0.01942 84 2PZ 0.07502 0.15205 0.01713 0.02605 -0.02533 85 3S -0.01862 -0.37779 -0.42048 -0.14163 -0.52247 86 3PX 0.86842 -1.18349 -0.16789 0.49278 -0.27671 87 3PY -0.30689 0.82291 0.20608 -0.27328 -0.14967 88 3PZ 0.42482 -0.32858 0.05796 0.29485 -0.13840 89 4XX 0.02370 -0.00167 0.02332 0.04482 -0.02738 90 4YY 0.02222 -0.03337 0.00394 0.00596 -0.00077 91 4ZZ 0.01339 0.00417 0.00831 -0.01394 0.01980 92 4XY 0.01105 0.03843 0.00749 -0.02425 -0.01186 93 4XZ 0.02479 -0.02245 0.02873 0.03342 -0.00519 94 4YZ 0.05123 -0.01704 0.01095 -0.00556 -0.01220 95 7 C 1S -0.01532 -0.00429 0.04634 0.04120 0.00972 96 2S 0.06859 -0.15348 0.05321 -0.07993 0.00565 97 2PX -0.18415 0.00130 -0.01010 -0.09662 0.06312 98 2PY -0.13217 0.06572 0.06504 0.02112 0.01986 99 2PZ -0.24744 -0.00435 -0.37227 -0.18880 0.06270 100 3S -0.87858 0.51023 -0.05381 0.04210 0.13152 101 3PX -0.46360 0.55374 0.24913 -0.06733 -0.28947 102 3PY 1.37234 -0.56126 -0.52662 0.03016 -0.51460 103 3PZ 0.09924 -0.04760 0.35273 0.20123 -0.33492 104 4XX -0.01302 -0.01807 0.01292 -0.02145 0.00805 105 4YY -0.03833 -0.00563 0.06592 0.06156 0.03264 106 4ZZ 0.02110 -0.00435 0.00044 -0.00924 -0.01912 107 4XY 0.04528 0.02333 -0.02827 -0.04200 0.00453 108 4XZ -0.02358 -0.00110 0.04011 -0.00196 0.00000 109 4YZ 0.00095 -0.00581 -0.00448 0.00449 -0.00138 110 8 C 1S -0.04032 0.00878 0.00622 -0.02306 -0.00501 111 2S -0.03997 -0.03673 -0.00989 0.12730 0.23219 112 2PX 0.36599 0.19058 -0.22844 -0.18553 -0.24352 113 2PY -0.30851 0.10899 0.39891 -0.10121 -0.38609 114 2PZ -0.07450 -0.07148 -0.24555 -0.09821 0.15791 115 3S 0.92220 -0.53219 -0.47475 -0.24237 -0.41659 116 3PX -1.34573 0.04079 0.49897 0.32450 0.43535 117 3PY 0.18883 -0.19926 -0.24241 0.34908 0.85365 118 3PZ -0.16100 0.36608 0.77686 0.14235 -0.04933 119 4XX -0.01909 -0.02048 0.02199 0.01587 0.02362 120 4YY -0.00929 0.00760 -0.01207 -0.03219 0.00531 121 4ZZ 0.01576 0.00239 -0.01610 0.00223 -0.02034 122 4XY -0.04222 0.00001 0.01759 0.01933 0.02511 123 4XZ -0.04961 -0.00676 -0.03059 -0.00785 0.04002 124 4YZ -0.00610 0.02562 0.02236 -0.00637 -0.00691 125 9 C 1S 0.02740 -0.03449 -0.04235 0.01708 0.04170 126 2S 0.00459 0.17183 -0.12955 -0.12079 0.21737 127 2PX -0.08438 0.06108 -0.16247 0.46476 -0.12893 128 2PY -0.21087 -0.21008 0.05781 -0.34479 -0.06374 129 2PZ -0.06912 -0.25442 0.08563 -0.21086 0.06946 130 3S -0.35658 0.59603 0.49435 0.27880 -0.02092 131 3PX 0.26954 -0.34306 -0.06016 -0.44136 0.15575 132 3PY -0.00977 -0.07587 -0.09838 0.48118 0.27121 133 3PZ 0.49947 -0.28387 -0.65815 0.36094 -0.10627 134 4XX 0.00100 -0.00326 0.01869 -0.02468 -0.02031 135 4YY 0.01410 -0.01314 -0.04608 0.02380 0.07297 136 4ZZ -0.01084 0.01478 -0.04098 -0.00225 0.05035 137 4XY 0.04055 -0.01289 -0.05348 -0.00640 0.03536 138 4XZ -0.00120 -0.03195 -0.00229 -0.01596 0.03527 139 4YZ 0.01058 -0.00789 -0.00024 0.00716 -0.04783 140 10 H 1S -0.06792 0.29711 0.05930 -0.07752 0.18718 141 2S 0.11844 -0.27659 -0.08494 0.10379 0.14197 142 11 H 1S -0.11504 -0.00445 0.01679 0.00447 0.00668 143 2S -0.04807 0.17743 -0.00446 -0.05564 0.02498 144 12 H 1S -0.24654 0.04377 -0.06535 -0.12088 0.03080 145 2S 0.21060 -0.12376 -0.33911 -0.19413 -0.29618 146 13 H 1S -0.01838 -0.00176 -0.12854 -0.04470 0.29090 147 2S -0.17069 0.16218 0.26408 -0.07932 -0.02557 148 14 C 1S 0.00181 0.00303 -0.00567 -0.01414 0.00384 149 2S 0.14105 -0.13424 0.15184 0.22176 -0.00619 150 2PX 0.06126 -0.31710 0.03812 0.09855 0.16299 151 2PY 0.05772 -0.04501 0.04645 -0.18121 0.17268 152 2PZ 0.08919 0.25627 0.11204 0.33308 -0.31451 153 3S 0.44307 -0.62079 -0.17634 0.20757 -0.08002 154 3PX 0.33507 -0.10023 0.00305 0.26986 -0.22040 155 3PY -0.18401 -0.10671 -0.12812 0.07843 -0.10285 156 3PZ 0.04795 -0.66001 -0.16240 -0.18943 0.35239 157 4XX 0.00535 -0.01831 0.00824 -0.00141 0.01725 158 4YY 0.02757 -0.00818 0.01137 0.00803 -0.01838 159 4ZZ 0.00276 -0.00073 0.00174 0.01572 0.00856 160 4XY -0.03106 -0.02007 -0.02133 0.01005 0.00102 161 4XZ 0.00374 -0.01510 -0.00917 -0.00028 0.00161 162 4YZ 0.00169 -0.01798 0.00113 0.01171 0.01555 163 15 H 1S 0.15259 0.01752 0.08108 0.02190 -0.02260 164 2S 0.06692 0.03558 0.01590 0.16363 -0.03183 165 16 H 1S -0.02614 -0.12319 -0.04209 0.06018 0.03937 166 2S 0.06788 -0.20814 -0.00124 0.01659 0.01366 167 17 C 1S 0.00604 0.00517 -0.01485 -0.01899 -0.00243 168 2S -0.14474 -0.02840 0.13350 0.15436 -0.02633 169 2PX -0.06195 0.18554 0.23754 -0.09270 0.22861 170 2PY 0.27566 0.11574 -0.11577 -0.29693 -0.00107 171 2PZ -0.26117 -0.24489 -0.32919 0.03870 -0.27899 172 3S -0.59647 0.29260 0.24149 -0.11317 0.40770 173 3PX 0.26265 -0.27396 -0.09877 0.13427 -0.11712 174 3PY 0.06324 -0.30107 -0.17744 0.42105 -0.04114 175 3PZ 0.58168 0.21354 0.29455 -0.01810 0.37041 176 4XX 0.00234 -0.00244 0.00347 0.00225 0.01289 177 4YY -0.01745 -0.00246 -0.02281 -0.01711 -0.00875 178 4ZZ -0.00530 0.01051 0.01629 0.00944 -0.01870 179 4XY -0.03193 -0.00886 0.00416 0.01275 -0.00610 180 4XZ -0.00406 0.00211 -0.00390 -0.01280 -0.01177 181 4YZ -0.02969 0.00599 0.01805 -0.00203 -0.00305 182 18 H 1S -0.18012 0.00442 0.00418 -0.05582 -0.05134 183 2S -0.21858 0.08520 -0.04174 -0.10966 -0.09681 184 19 H 1S 0.15781 0.02974 0.00667 -0.05804 -0.01396 185 2S 0.12129 -0.03021 0.19302 0.02929 0.00671 81 82 83 84 85 V V V V V Eigenvalues -- 0.62541 0.63135 0.63918 0.65845 0.66542 1 1 S 1S -0.00460 -0.00291 0.00120 -0.00426 0.00089 2 2S 0.00641 0.00336 0.00126 -0.00922 -0.00359 3 2PX -0.01824 -0.02492 -0.00460 -0.00767 0.01227 4 2PY 0.07160 0.01219 0.01559 -0.00631 0.03802 5 2PZ -0.02966 -0.01988 0.00401 0.00229 -0.00043 6 3S -0.10418 -0.06983 0.03496 -0.13772 0.02560 7 3PX 0.07760 0.10117 0.02341 0.05187 -0.04824 8 3PY -0.29472 -0.04710 -0.07279 0.02859 -0.15525 9 3PZ 0.12881 0.08612 -0.01027 -0.00935 -0.01016 10 4S 0.11918 0.06644 -0.12644 0.26018 -0.09941 11 4PX -0.12494 -0.12432 0.05099 -0.15088 0.10623 12 4PY 0.20900 0.02249 0.19436 -0.02156 0.14397 13 4PZ -0.01839 -0.01798 -0.00792 0.00309 0.03229 14 5XX 0.03600 0.18721 0.04673 -0.04555 0.02500 15 5YY 0.03255 -0.11169 0.07697 -0.12394 0.05449 16 5ZZ -0.07667 -0.07665 -0.12225 0.13047 -0.11055 17 5XY -0.25462 0.01299 0.11390 0.00707 -0.08006 18 5XZ 0.12054 0.11232 -0.05042 0.11082 0.08251 19 5YZ 0.05670 -0.11616 0.03888 -0.12356 0.07656 20 2 O 1S -0.00660 -0.00387 0.00397 0.00367 -0.00456 21 2S 0.06863 0.02033 0.00064 -0.01569 0.08116 22 2PX 0.10451 0.02351 -0.11506 0.00505 -0.00685 23 2PY -0.02469 0.02433 -0.01457 0.05626 -0.01624 24 2PZ 0.04759 0.09005 -0.05789 0.08350 -0.00901 25 3S -0.09292 -0.00065 -0.07629 -0.03956 -0.10095 26 3PX 0.01032 -0.00300 0.05944 0.03435 0.00996 27 3PY -0.14705 -0.07083 0.00175 -0.01071 -0.07212 28 3PZ 0.00336 -0.01509 -0.00211 -0.03765 0.00144 29 4XX 0.03798 0.01879 0.00411 -0.00258 0.02724 30 4YY -0.00367 0.00977 -0.00907 0.01312 0.01103 31 4ZZ 0.02251 -0.01459 0.01640 -0.01072 0.02879 32 4XY 0.03596 0.00272 -0.01359 0.01091 0.01815 33 4XZ -0.00690 0.01192 0.00680 0.00618 0.00236 34 4YZ 0.00067 0.00601 -0.00736 0.02028 -0.00931 35 3 O 1S -0.01078 0.01405 0.00887 -0.00475 -0.00097 36 2S -0.00912 -0.03566 -0.18942 -0.05425 -0.13063 37 2PX 0.06777 0.08832 0.02715 -0.00707 0.03247 38 2PY -0.11490 -0.05472 0.09819 -0.03334 -0.00908 39 2PZ -0.00274 0.14330 -0.05770 -0.06521 -0.07094 40 3S 0.35699 -0.47059 0.12480 0.23205 0.57392 41 3PX -0.15902 0.15039 0.06408 -0.10731 -0.13578 42 3PY 0.06082 0.08968 0.00522 0.03286 -0.05844 43 3PZ 0.03117 -0.15397 0.07633 0.04671 0.12055 44 4XX 0.03520 -0.05840 -0.07583 -0.03134 -0.01714 45 4YY -0.00199 0.03009 -0.05755 -0.00160 -0.02912 46 4ZZ -0.05054 -0.00123 -0.01868 -0.02119 -0.03786 47 4XY -0.00540 -0.02563 -0.01691 0.01282 0.00171 48 4XZ -0.01744 0.01602 0.01507 -0.03654 -0.00581 49 4YZ 0.00148 0.02184 0.00411 -0.01103 -0.01080 50 4 C 1S -0.03436 0.01396 -0.00656 -0.01404 0.00220 51 2S 0.12804 0.01240 -0.43785 -0.05217 -0.17866 52 2PX 0.06248 0.21995 0.25759 0.14578 -0.60259 53 2PY 0.17260 -0.05677 -0.08963 -0.02506 0.10958 54 2PZ -0.08095 -0.12945 0.46469 0.17049 0.30576 55 3S -0.25255 0.00768 1.08420 -0.13053 0.77942 56 3PX 0.10525 -0.61205 -0.49722 0.02412 1.25129 57 3PY -0.29412 -0.00209 0.18390 0.04311 0.11644 58 3PZ 0.39252 0.14337 -0.64729 0.02256 -0.77529 59 4XX 0.02561 -0.00008 -0.01493 0.01202 -0.01264 60 4YY -0.02671 -0.02679 -0.06094 0.02104 0.00976 61 4ZZ -0.02191 0.03647 -0.01517 -0.06074 -0.00666 62 4XY -0.02597 0.02342 -0.05880 -0.00947 -0.02157 63 4XZ -0.01534 0.01140 -0.01837 -0.04253 0.02686 64 4YZ 0.01327 0.01032 -0.02909 -0.02846 -0.01281 65 5 C 1S 0.00985 -0.02575 -0.03860 0.00645 -0.00513 66 2S -0.03194 0.02284 0.11412 0.00445 0.06870 67 2PX 0.15238 -0.27284 -0.15318 0.04975 0.17724 68 2PY 0.15707 0.09111 0.10529 0.07764 -0.04964 69 2PZ -0.25579 0.16044 0.25010 -0.11998 0.12170 70 3S 0.09593 0.24047 -0.93663 -0.39282 -0.61646 71 3PX -0.39230 0.93320 0.47537 -0.16726 -0.98436 72 3PY -0.38657 -0.13809 -0.34270 -0.46299 0.15343 73 3PZ 0.67635 -0.31542 -0.92907 0.18682 -0.44256 74 4XX -0.02413 0.00845 0.00690 0.02284 -0.01298 75 4YY 0.01847 -0.00063 -0.02574 -0.02863 -0.01480 76 4ZZ -0.00101 -0.01455 -0.04029 -0.00601 -0.00283 77 4XY 0.00781 -0.01174 0.03296 0.00280 0.01159 78 4XZ -0.00075 -0.00927 -0.00525 0.03193 -0.01497 79 4YZ -0.02289 -0.03741 0.01772 0.03032 0.01219 80 6 C 1S -0.00687 0.01740 0.02853 -0.02805 -0.02374 81 2S 0.02838 0.11464 -0.43973 0.14867 -0.13249 82 2PX -0.08453 -0.11161 0.14140 -0.20921 -0.16516 83 2PY -0.03443 0.09602 0.43674 0.18178 0.10431 84 2PZ 0.09625 0.22052 -0.00777 -0.31834 0.06301 85 3S -0.14868 -0.06720 0.63531 -0.10278 0.14804 86 3PX 0.09262 -0.11393 -0.31712 0.46037 0.44634 87 3PY -0.06662 -0.22552 -1.02774 -0.41567 0.28287 88 3PZ -0.17669 -0.35399 -0.11787 0.36214 0.17117 89 4XX 0.02098 -0.01884 0.00066 -0.03406 -0.03645 90 4YY -0.02569 0.03915 -0.00793 0.03620 -0.01982 91 4ZZ -0.01079 0.01775 -0.03050 -0.01610 -0.00227 92 4XY -0.01188 -0.02605 -0.02815 0.02168 0.00129 93 4XZ -0.02372 0.00250 -0.00350 -0.04090 -0.02626 94 4YZ 0.00940 0.03540 -0.01793 0.01058 -0.02180 95 7 C 1S 0.00702 -0.00160 0.00096 -0.01800 0.00308 96 2S 0.00695 0.26285 0.11131 0.12622 0.07261 97 2PX -0.17568 -0.23859 0.01719 0.00906 0.14354 98 2PY -0.09250 -0.00209 0.03489 0.19331 0.17882 99 2PZ 0.35492 0.05321 0.04382 0.00633 0.09670 100 3S 0.02482 -0.22273 -0.09934 -0.24099 -0.41056 101 3PX 0.35865 0.19886 -0.29750 -0.18381 0.15846 102 3PY -0.27987 -0.14446 -0.35068 -0.00845 -0.39394 103 3PZ -0.60754 -0.18342 -0.51709 -0.10599 0.19467 104 4XX 0.00716 0.06251 0.00597 0.00407 0.00824 105 4YY 0.02233 -0.02406 0.01685 -0.03291 -0.00402 106 4ZZ -0.02651 0.00618 0.00008 0.02594 -0.00855 107 4XY 0.00319 0.00248 0.00871 0.00988 -0.00003 108 4XZ 0.00750 0.03632 0.01360 0.01219 0.00082 109 4YZ -0.00510 0.02365 0.00592 -0.03868 -0.00772 110 8 C 1S 0.00753 -0.00399 0.00098 0.00577 0.00497 111 2S 0.06071 0.04559 0.03775 0.02752 0.03078 112 2PX 0.00149 -0.01923 -0.01096 -0.06394 0.06228 113 2PY 0.04665 0.24244 -0.03653 -0.08844 0.05391 114 2PZ -0.11962 -0.11524 0.08552 0.06063 -0.01852 115 3S 0.06284 0.21177 -0.06087 -0.12195 -0.03817 116 3PX -0.00673 -0.10224 -0.07327 0.16586 0.25336 117 3PY -0.14973 -0.57397 0.43110 0.23301 -0.30387 118 3PZ 0.28701 0.14130 -0.20421 0.02250 -0.09771 119 4XX -0.00151 -0.03778 0.00022 0.01430 -0.00684 120 4YY 0.01976 0.04130 -0.00445 0.00953 0.00714 121 4ZZ 0.00196 0.00283 0.01034 -0.02278 0.00473 122 4XY 0.03005 -0.01737 0.00423 -0.00315 0.00906 123 4XZ 0.01587 -0.00128 0.01661 0.01698 0.02864 124 4YZ -0.04855 -0.02018 -0.01139 0.03779 -0.01133 125 9 C 1S 0.00863 -0.01903 0.00978 0.03140 -0.00598 126 2S 0.15360 0.18670 -0.13309 -0.11600 0.01774 127 2PX 0.08119 0.01522 -0.10264 0.16665 0.46952 128 2PY 0.33973 0.09912 0.13108 0.00772 -0.11439 129 2PZ 0.01475 -0.20138 0.18434 0.19579 -0.22693 130 3S -0.48203 -0.35318 0.42617 0.03492 -0.29615 131 3PX -0.03088 0.02393 0.33758 -0.24131 -0.86176 132 3PY -0.36735 -0.42192 0.09507 0.20573 0.12699 133 3PZ 0.16693 0.39648 -0.30842 -0.43462 0.63889 134 4XX 0.00902 0.01521 0.00165 -0.02370 0.02497 135 4YY 0.01779 -0.01257 0.03194 -0.00581 -0.00414 136 4ZZ 0.01781 -0.00424 -0.02805 0.06059 -0.02545 137 4XY 0.01437 0.01408 0.02547 0.00406 0.00214 138 4XZ 0.02292 -0.03704 0.02077 0.03092 0.00048 139 4YZ 0.02447 0.02876 0.03887 -0.02039 -0.00575 140 10 H 1S -0.26503 -0.09371 -0.20772 0.09287 -0.01490 141 2S -0.00323 -0.07915 0.00366 -0.06383 0.18973 142 11 H 1S 0.00111 -0.19176 -0.22097 0.11330 -0.06468 143 2S 0.09655 0.07472 -0.34956 -0.17374 -0.23810 144 12 H 1S 0.02435 -0.05423 0.01936 0.10372 0.08000 145 2S 0.00135 0.15663 -0.03174 -0.18990 0.02343 146 13 H 1S -0.08169 -0.20500 -0.02276 0.32088 -0.05847 147 2S -0.06190 -0.07307 0.21041 0.04802 -0.06975 148 14 C 1S -0.00105 0.00527 -0.02535 0.05449 0.00840 149 2S 0.04855 0.19620 -0.18945 0.25363 -0.15551 150 2PX -0.06847 0.15098 -0.04847 -0.39722 -0.02910 151 2PY -0.12692 0.28116 -0.06939 -0.02978 0.14480 152 2PZ 0.13373 -0.26962 0.28833 0.08605 -0.13147 153 3S -0.00026 -0.54210 0.24653 -0.49619 0.42238 154 3PX 0.03663 -0.00069 -0.00498 0.76701 -0.08511 155 3PY 0.24710 -0.44408 0.20929 -0.01019 -0.31397 156 3PZ -0.10454 0.37704 -0.44029 0.00596 0.06147 157 4XX -0.00533 0.01080 -0.03183 0.06461 0.01768 158 4YY 0.00856 0.02057 -0.04044 0.05364 -0.01541 159 4ZZ 0.01011 0.00953 -0.00159 0.00285 -0.00808 160 4XY 0.00622 -0.01289 0.03106 -0.04391 -0.00671 161 4XZ 0.02045 0.00732 -0.04038 0.07043 0.00480 162 4YZ -0.01096 0.02670 -0.01763 0.04589 -0.01321 163 15 H 1S -0.04035 0.16840 -0.12920 0.36309 -0.02765 164 2S -0.06923 0.21808 0.02114 0.15846 0.03548 165 16 H 1S 0.02259 0.09659 -0.18990 0.31688 -0.08930 166 2S 0.02366 0.04208 -0.08862 0.14950 -0.17830 167 17 C 1S -0.00740 0.02105 0.00189 0.03175 0.01977 168 2S 0.06163 0.26838 0.14514 0.14597 0.24598 169 2PX 0.43675 -0.12949 0.05926 -0.07915 0.04745 170 2PY 0.05026 0.08804 -0.01516 0.23739 -0.05401 171 2PZ -0.41452 0.01711 -0.13972 -0.05644 0.12209 172 3S 0.30968 -0.47337 0.05354 -0.52854 -0.23600 173 3PX -0.59896 0.34604 0.08530 0.24840 -0.15701 174 3PY -0.24221 -0.50714 -0.19209 -0.39096 -0.24678 175 3PZ 0.48042 0.02794 0.25205 0.17376 -0.38578 176 4XX -0.00609 0.02462 0.02174 0.02033 0.01826 177 4YY 0.00681 0.04807 0.01734 0.04770 0.04243 178 4ZZ 0.00631 0.00741 -0.00559 0.00277 0.01277 179 4XY 0.00977 -0.01108 -0.01936 -0.03301 -0.01016 180 4XZ -0.00126 0.05460 0.01027 0.03555 0.04012 181 4YZ 0.00327 0.00271 0.00217 0.02152 0.02512 182 18 H 1S 0.03538 0.18729 0.02727 0.16495 0.24699 183 2S 0.03122 0.06530 -0.02312 0.00578 0.24119 184 19 H 1S -0.06730 0.27920 0.09677 0.22778 0.14639 185 2S -0.04893 0.29397 0.10058 0.22716 -0.06538 86 87 88 89 90 V V V V V Eigenvalues -- 0.67939 0.68603 0.73649 0.75951 0.77836 1 1 S 1S 0.00309 0.00394 -0.00698 0.00108 -0.00483 2 2S 0.00774 -0.00923 -0.01312 -0.02624 -0.03883 3 2PX -0.00720 0.02192 -0.01996 0.04189 -0.00021 4 2PY 0.01321 -0.03523 -0.04656 -0.02142 -0.02035 5 2PZ 0.00255 -0.00057 0.06312 0.02009 0.00537 6 3S 0.09893 0.08759 -0.23075 -0.04809 -0.27080 7 3PX 0.01755 -0.08200 0.13011 -0.18551 0.01098 8 3PY -0.06702 0.16813 0.20299 0.11519 0.12365 9 3PZ -0.00453 -0.01983 -0.29425 -0.07834 -0.03376 10 4S -0.20344 -0.11376 0.30021 0.73457 1.46892 11 4PX 0.02925 0.15586 -0.26495 -0.08480 -0.68975 12 4PY 0.13535 -0.20201 -0.13713 0.09239 0.20591 13 4PZ -0.10654 0.00826 0.13994 0.38563 0.19782 14 5XX 0.11680 0.02489 -0.07510 -0.32250 -0.07188 15 5YY 0.22728 -0.14599 0.14658 0.26219 0.26739 16 5ZZ -0.30674 0.10039 -0.11910 0.04534 -0.16886 17 5XY 0.02095 0.08741 0.26964 0.17542 0.06101 18 5XZ -0.18885 0.19308 -0.26505 -0.03834 0.25441 19 5YZ 0.16539 -0.19499 0.07400 0.27809 0.04260 20 2 O 1S 0.00297 -0.00026 0.01303 0.00901 0.02596 21 2S -0.04855 0.00580 -0.17178 0.02555 -0.20199 22 2PX -0.03820 0.02976 -0.08357 -0.12333 -0.05268 23 2PY -0.08829 0.03524 -0.01050 -0.01422 -0.15640 24 2PZ -0.15175 0.08195 -0.12858 -0.02742 0.02016 25 3S 0.02681 0.04938 0.13921 -0.21963 -0.17542 26 3PX 0.00948 -0.05122 0.05846 0.07233 0.18054 27 3PY 0.05393 0.06528 0.14743 0.11321 0.38364 28 3PZ 0.04860 -0.03510 -0.00290 -0.13207 -0.20795 29 4XX -0.00343 -0.00409 -0.04470 -0.01251 -0.04603 30 4YY -0.05099 0.02943 -0.05518 -0.00251 -0.08475 31 4ZZ 0.01109 -0.02893 -0.02487 0.04484 -0.02182 32 4XY -0.02151 0.00518 -0.05242 -0.00588 0.01745 33 4XZ -0.00968 0.01126 0.00509 0.03565 0.02493 34 4YZ -0.03205 0.01244 -0.01462 -0.02499 -0.00988 35 3 O 1S 0.00321 0.00763 0.00366 0.01098 0.02753 36 2S -0.00618 -0.09475 -0.08309 -0.17181 -0.04131 37 2PX 0.01939 0.05216 -0.13122 -0.11337 -0.14406 38 2PY 0.07335 0.01282 0.13499 -0.00743 0.12828 39 2PZ -0.08349 0.00768 -0.21618 0.01463 0.02735 40 3S -0.04718 0.07797 -0.04893 0.36747 -0.56034 41 3PX 0.05278 -0.03366 0.06730 -0.06205 0.11615 42 3PY -0.10858 0.02233 -0.15681 -0.08108 -0.28936 43 3PZ 0.09178 -0.08006 0.00839 -0.03731 -0.36050 44 4XX 0.01739 -0.04945 -0.03202 0.02026 0.01373 45 4YY -0.04019 0.00828 -0.06248 -0.07430 -0.00148 46 4ZZ 0.03170 -0.02362 0.01835 -0.05321 -0.01362 47 4XY -0.02059 0.01295 -0.02467 -0.00183 0.02936 48 4XZ 0.02485 -0.01472 0.01551 0.03858 0.02354 49 4YZ 0.01344 -0.00325 -0.00834 -0.01344 -0.00718 50 4 C 1S 0.02395 -0.00563 -0.00371 -0.02193 0.02902 51 2S -0.17799 0.01075 0.04702 0.04449 0.02959 52 2PX -0.02280 0.00789 -0.00023 0.22040 -0.01010 53 2PY -0.05585 0.05058 0.04568 -0.25524 0.19164 54 2PZ -0.07941 0.23875 -0.04586 0.13601 -0.17678 55 3S 0.19086 -0.17760 -1.05877 0.13545 -0.60494 56 3PX -0.20134 0.07084 -0.06717 -0.17339 -0.19398 57 3PY -0.30664 -0.17261 -0.63991 1.11105 -0.93374 58 3PZ -0.14383 -0.13252 0.30966 -0.20380 0.65786 59 4XX -0.01441 0.00728 0.03140 0.01508 -0.00074 60 4YY -0.02942 -0.01225 -0.04186 0.00220 0.02860 61 4ZZ 0.04133 -0.01843 -0.01747 -0.02201 -0.02342 62 4XY -0.00945 0.01081 0.05967 0.00128 0.05139 63 4XZ 0.02901 -0.02981 -0.05513 -0.00862 0.00938 64 4YZ 0.01597 -0.02755 -0.00231 -0.02399 0.01957 65 5 C 1S -0.01494 -0.03169 -0.00426 0.00644 -0.02917 66 2S 0.06940 0.08040 -0.20665 0.02746 0.08073 67 2PX 0.02777 -0.04345 -0.10000 0.04593 -0.12187 68 2PY -0.08004 0.06060 -0.00093 0.02949 -0.11943 69 2PZ 0.12417 -0.01229 -0.21297 0.04701 -0.37291 70 3S 0.08837 -0.30006 1.19854 -0.96169 0.80380 71 3PX 0.00347 0.22968 0.18992 -0.34160 0.80024 72 3PY 0.53803 -0.20098 0.24176 -0.63118 0.75504 73 3PZ -0.19970 0.24269 0.99891 -0.25423 1.52147 74 4XX -0.01139 0.02877 0.01108 0.00232 0.03215 75 4YY 0.01274 -0.04718 -0.00466 -0.02543 -0.00522 76 4ZZ -0.00668 -0.01721 -0.01479 0.00249 -0.00040 77 4XY 0.00524 -0.01463 -0.00818 0.01505 -0.03241 78 4XZ -0.00648 0.01210 0.03774 -0.02996 -0.02755 79 4YZ -0.02869 -0.02052 0.00275 0.02418 -0.04590 80 6 C 1S -0.02783 -0.00500 0.00374 0.00233 0.00324 81 2S 0.29931 0.01506 0.13877 -0.09153 0.25477 82 2PX -0.28674 -0.17749 0.08918 -0.39187 0.35340 83 2PY 0.18098 0.21976 -0.12991 -0.21941 0.23484 84 2PZ -0.22434 0.10570 0.28923 0.31773 -0.13502 85 3S -0.86825 0.38949 -0.00056 0.47187 -0.99099 86 3PX -0.43531 0.14597 -0.81600 1.36269 -1.48108 87 3PY -0.12139 -0.51545 0.63473 0.07896 -0.49683 88 3PZ -0.05155 -0.37444 -0.60875 -0.53073 -0.31364 89 4XX -0.03181 -0.02962 0.01328 -0.00657 0.02054 90 4YY 0.00510 0.02635 0.01800 0.01067 0.01985 91 4ZZ 0.01555 0.01060 0.01411 -0.00628 -0.01380 92 4XY -0.00186 0.01139 0.00991 0.00212 0.01868 93 4XZ -0.04556 0.00475 0.02207 0.02922 -0.00287 94 4YZ 0.00139 0.02756 0.01558 -0.04632 0.02155 95 7 C 1S 0.01301 0.03327 0.01478 0.00071 0.01737 96 2S -0.25461 -0.11856 0.08851 0.26844 0.24090 97 2PX 0.10207 0.16025 -0.22218 0.22986 0.18564 98 2PY -0.12340 -0.56439 -0.17605 -0.01483 -0.06648 99 2PZ 0.09143 -0.06602 0.19641 -0.01483 0.12973 100 3S 0.59808 0.22492 0.68317 -1.21778 0.14908 101 3PX 0.13122 -0.51899 0.69263 -1.00191 -0.73703 102 3PY -0.91940 1.05067 0.35115 0.57417 0.18234 103 3PZ -0.43218 -0.00353 0.07346 -0.04180 -0.86560 104 4XX -0.01082 -0.00016 0.00963 -0.03127 0.02217 105 4YY 0.02671 0.05613 0.04276 0.03094 0.02844 106 4ZZ -0.03875 -0.00959 0.02441 0.02677 0.02539 107 4XY -0.01082 -0.01098 0.00243 -0.00602 -0.01583 108 4XZ -0.01167 0.01402 0.04624 -0.02571 0.00579 109 4YZ -0.00084 0.03007 -0.00564 -0.00252 0.06219 110 8 C 1S 0.01250 0.00882 0.00847 0.00465 0.00115 111 2S -0.01752 -0.03710 0.05154 -0.14845 0.03587 112 2PX -0.02747 0.03678 -0.32590 0.38070 0.28341 113 2PY -0.00782 0.15498 0.12390 0.01595 -0.03833 114 2PZ 0.02991 -0.00423 0.26086 -0.24078 -0.29134 115 3S -0.71530 0.78986 -0.95530 1.44587 0.45612 116 3PX 0.46753 -0.18631 0.83669 -1.35228 -0.99083 117 3PY 0.41068 -0.45661 -0.31109 -0.04527 0.04191 118 3PZ 0.19790 -0.28018 -0.06232 0.30797 0.68417 119 4XX 0.00173 -0.00570 -0.00327 0.03147 -0.02452 120 4YY -0.05503 0.04532 0.00795 0.00571 0.02022 121 4ZZ 0.04549 -0.02237 -0.01112 -0.01426 0.00780 122 4XY 0.01755 -0.01930 -0.04005 0.01447 -0.01053 123 4XZ 0.02104 0.04305 -0.00335 0.01021 0.07097 124 4YZ -0.01701 0.00898 0.02976 -0.00069 0.01530 125 9 C 1S -0.03428 0.00733 -0.00225 0.01149 0.00773 126 2S -0.15474 0.16635 -0.10204 0.05661 0.10023 127 2PX -0.21561 0.31421 0.30280 0.03418 -0.10292 128 2PY -0.17224 0.17850 -0.20647 0.28520 -0.03979 129 2PZ -0.04080 -0.01519 0.08151 0.05919 -0.20083 130 3S 1.01274 -0.52363 0.48779 -0.92850 -0.18615 131 3PX 0.27874 -0.58319 -0.88634 0.26019 0.19999 132 3PY 0.40317 -0.20935 0.53721 -0.87234 -0.16474 133 3PZ -0.26636 0.07801 -0.55663 0.21321 0.30143 134 4XX 0.02066 0.00171 -0.01687 -0.01318 -0.01607 135 4YY 0.00940 -0.02399 -0.04009 -0.01297 -0.04887 136 4ZZ -0.08219 0.05654 0.04881 0.03078 0.07442 137 4XY -0.02000 0.04143 0.05007 -0.01270 -0.00073 138 4XZ -0.01644 0.00086 -0.04802 0.00567 -0.01530 139 4YZ 0.01288 0.01904 0.00594 0.01966 -0.02733 140 10 H 1S -0.06580 -0.00592 0.07094 -0.05246 0.24875 141 2S -0.12615 -0.11187 -0.25785 0.54760 -0.73272 142 11 H 1S -0.08388 -0.18802 0.05754 -0.00474 -0.23873 143 2S 0.18899 0.20062 0.23065 -0.23253 1.18980 144 12 H 1S 0.02800 0.09884 -0.08319 0.09230 0.13980 145 2S -0.29380 0.11726 0.05958 -0.04932 -0.28292 146 13 H 1S -0.30583 0.13013 0.05023 0.14209 0.10022 147 2S 0.25067 0.03702 0.35688 -0.23404 -0.39560 148 14 C 1S 0.06115 0.01788 -0.00961 0.01454 -0.00867 149 2S 0.24807 -0.06234 0.03571 0.07943 -0.00048 150 2PX -0.28411 -0.16233 -0.01886 0.10848 -0.10656 151 2PY 0.03896 0.09615 0.11354 0.02397 -0.07387 152 2PZ -0.17412 -0.10103 -0.00993 -0.05785 0.01277 153 3S -0.98504 -0.11692 -0.76715 0.30344 -0.61945 154 3PX 0.20460 0.01849 -0.20941 -0.18989 -0.00659 155 3PY 0.08103 -0.04744 -0.30984 -0.10576 0.29568 156 3PZ 0.12094 0.09616 -0.14764 0.43863 -0.29896 157 4XX 0.07463 0.01506 -0.02616 0.01853 -0.02085 158 4YY 0.03415 0.00381 0.01916 0.01256 0.00179 159 4ZZ 0.01424 -0.01170 -0.00808 -0.00744 0.00847 160 4XY -0.03970 -0.01035 0.00486 0.00568 0.01742 161 4XZ 0.08365 0.02010 -0.02165 0.01999 -0.00319 162 4YZ 0.05920 0.00689 -0.01191 0.02054 -0.01439 163 15 H 1S 0.28608 0.09766 0.00243 0.06780 -0.07136 164 2S 0.01642 -0.04458 0.17486 -0.10871 0.02394 165 16 H 1S 0.34195 -0.01873 -0.06881 0.13105 -0.08402 166 2S 0.03784 0.00620 -0.05135 -0.01759 0.03317 167 17 C 1S -0.03020 -0.06837 0.00448 0.00881 0.00875 168 2S -0.03270 -0.22765 0.05138 0.07548 0.15370 169 2PX 0.11127 -0.01445 0.14798 0.01174 -0.07914 170 2PY -0.27560 -0.29097 0.12191 -0.03197 -0.05788 171 2PZ -0.05739 -0.06808 -0.15231 0.00559 -0.05610 172 3S 0.86249 0.14355 -0.44486 -0.37089 -0.39263 173 3PX -0.12105 0.16481 -0.40502 0.13609 0.30961 174 3PY -0.05111 0.49300 -0.12186 0.21002 0.14465 175 3PZ -0.00557 0.23987 0.21034 0.01822 0.30123 176 4XX 0.00541 -0.01635 0.00890 -0.02694 0.01054 177 4YY -0.04300 -0.12474 -0.02245 0.01248 0.00499 178 4ZZ -0.00069 0.00553 0.00638 0.03194 -0.00102 179 4XY 0.01730 0.03766 0.00608 -0.00300 0.00145 180 4XZ -0.03375 -0.07151 0.01323 0.02287 0.03061 181 4YZ -0.01448 -0.06386 0.01004 0.00314 -0.00765 182 18 H 1S -0.08153 -0.36874 0.06948 0.11733 0.13300 183 2S 0.03599 -0.11402 0.10835 -0.14490 -0.21456 184 19 H 1S -0.14551 -0.30337 0.05326 -0.01139 0.06091 185 2S -0.04470 0.09901 -0.02970 0.05677 0.14354 91 92 93 94 95 V V V V V Eigenvalues -- 0.80135 0.81522 0.81924 0.82654 0.83671 1 1 S 1S -0.00642 0.00193 -0.00509 0.00955 -0.00240 2 2S -0.00349 0.00081 -0.03297 0.00608 0.01331 3 2PX -0.01303 0.01322 -0.02750 0.01230 -0.00256 4 2PY 0.03021 0.00067 -0.04117 -0.03258 0.04716 5 2PZ 0.00991 -0.00235 0.02842 0.00575 -0.01537 6 3S -0.17366 0.06404 -0.24254 0.26980 -0.00696 7 3PX 0.07653 -0.06284 0.18768 -0.07040 0.00883 8 3PY -0.16288 -0.01459 0.23320 0.16955 -0.26190 9 3PZ -0.05010 0.01470 -0.17482 -0.03225 0.06834 10 4S 0.00875 -0.18363 0.71759 -0.27134 -0.54945 11 4PX -0.14992 0.10893 -0.46563 0.14113 0.23135 12 4PY -0.09249 -0.16988 0.04139 -0.09823 0.08226 13 4PZ -0.03855 -0.08835 -0.00026 -0.31176 -0.08000 14 5XX 0.16509 0.04933 -0.01030 0.06992 0.03084 15 5YY -0.13742 -0.06816 0.18233 0.18201 -0.14084 16 5ZZ -0.09059 -0.00017 -0.20782 -0.18635 0.05711 17 5XY 0.08895 0.12726 -0.04743 0.04348 -0.01206 18 5XZ -0.05807 0.05295 0.01798 0.17307 -0.09245 19 5YZ 0.01497 -0.05139 -0.11483 -0.20442 0.21065 20 2 O 1S -0.01062 -0.00461 0.02086 0.01496 -0.02085 21 2S 0.19691 0.01559 -0.13399 -0.24438 0.15791 22 2PX -0.09824 -0.00684 -0.06636 0.00956 0.06412 23 2PY 0.11496 0.03029 -0.09452 -0.10518 0.08133 24 2PZ -0.04252 -0.02655 0.05869 0.08468 -0.10062 25 3S -0.17619 0.08337 -0.13480 0.23767 0.02878 26 3PX 0.06961 -0.03020 0.14244 0.00422 -0.12131 27 3PY -0.25473 -0.05331 0.37879 0.36486 -0.39501 28 3PZ 0.11652 0.06865 -0.19389 -0.17018 0.23858 29 4XX 0.04510 -0.00229 -0.04218 -0.06714 0.05278 30 4YY 0.06305 0.01106 -0.03651 -0.07635 0.02694 31 4ZZ 0.06783 -0.00047 -0.02723 -0.07696 0.04715 32 4XY -0.01345 -0.01167 0.00852 0.01125 -0.01583 33 4XZ 0.01064 0.00506 0.00609 -0.00599 -0.01343 34 4YZ 0.00580 0.00374 -0.00817 -0.01587 0.00029 35 3 O 1S 0.00485 0.00185 0.00247 -0.00219 0.00379 36 2S -0.04376 0.03046 0.01632 0.06988 -0.02429 37 2PX 0.05097 0.00464 0.00070 0.08249 -0.02673 38 2PY -0.14679 -0.05804 -0.05058 -0.00457 0.08297 39 2PZ -0.03140 -0.02541 -0.01767 -0.09682 -0.00215 40 3S -0.10527 -0.12685 -0.15167 0.11495 0.09162 41 3PX -0.07245 -0.01466 0.01780 -0.23665 0.04269 42 3PY -0.00174 0.01236 -0.15131 -0.00316 0.03081 43 3PZ -0.20150 -0.02260 0.00748 0.15571 -0.05999 44 4XX -0.00656 -0.00474 -0.00884 0.02765 0.00682 45 4YY -0.00656 0.01665 -0.02199 0.01548 0.00358 46 4ZZ -0.01839 0.01363 0.04135 0.03682 -0.01321 47 4XY -0.02332 0.01001 -0.02330 0.01833 0.02650 48 4XZ 0.00232 0.00668 -0.01196 0.00740 -0.00581 49 4YZ 0.01465 0.00917 -0.01757 -0.00771 0.00843 50 4 C 1S -0.00114 -0.01148 -0.01911 -0.03671 -0.00639 51 2S 0.15984 0.11439 0.10459 0.24877 -0.09072 52 2PX 0.13801 -0.02020 0.09112 -0.16473 -0.18505 53 2PY 0.34011 0.04723 0.01592 -0.58420 -0.42741 54 2PZ 0.05241 0.03152 0.27132 0.12944 0.00498 55 3S -1.22159 -0.49762 0.65542 -0.05768 0.95587 56 3PX -0.54624 -0.06873 -0.10679 0.66182 0.71511 57 3PY -1.76988 -0.48091 0.27978 1.80915 1.92677 58 3PZ 0.53232 0.02734 -1.28533 -0.33080 0.10634 59 4XX 0.00945 0.00631 0.01814 0.03609 -0.00116 60 4YY -0.03456 -0.04758 -0.03434 -0.07995 0.04313 61 4ZZ 0.00322 0.02932 0.01850 0.08575 -0.01352 62 4XY -0.00053 -0.01528 0.01419 -0.04207 0.02757 63 4XZ -0.00982 -0.00098 -0.01132 0.00925 0.00718 64 4YZ -0.00111 0.01187 -0.00315 0.02489 0.05575 65 5 C 1S -0.03432 -0.00272 0.00484 -0.00371 -0.01685 66 2S 0.11302 -0.10900 -0.10076 0.33058 0.09897 67 2PX -0.21949 0.00345 0.18430 -0.00839 -0.14261 68 2PY -0.31005 -0.10056 -0.20175 -0.03175 0.06691 69 2PZ -0.41192 -0.05291 0.08533 -0.06853 -0.17121 70 3S 0.51317 1.07054 0.44883 -1.00580 -0.53372 71 3PX 0.79736 -0.09732 -0.86534 -0.37783 0.25406 72 3PY 0.80880 0.64206 1.39502 0.15411 -0.29402 73 3PZ 2.14430 0.39956 -0.52911 -0.07861 0.17106 74 4XX -0.00789 -0.01001 0.00506 -0.00765 0.02836 75 4YY 0.02192 0.03348 0.05857 0.03641 0.00312 76 4ZZ -0.00432 -0.01678 -0.05972 -0.02178 -0.04189 77 4XY 0.00702 -0.03123 0.00554 -0.03812 -0.02035 78 4XZ -0.00282 -0.00710 0.01672 -0.02727 -0.03067 79 4YZ -0.06237 -0.01413 0.00579 -0.01410 -0.00084 80 6 C 1S -0.00054 -0.00333 0.01420 0.01734 0.00206 81 2S 0.07119 0.10748 0.31546 0.13709 -0.06108 82 2PX -0.12502 0.03179 0.17060 0.09872 -0.02654 83 2PY 0.00466 -0.22968 -0.24063 -0.08441 0.06761 84 2PZ 0.32512 -0.04001 -0.14999 0.12377 -0.01678 85 3S -1.10359 -1.32583 -0.32745 -0.15236 0.22465 86 3PX -0.70546 -0.40860 -0.46278 -0.37810 -0.16888 87 3PY -0.35204 0.92985 1.71587 0.37436 0.11969 88 3PZ -1.82663 0.13744 0.88458 -0.49859 -0.11585 89 4XX 0.01789 0.01965 0.08189 -0.00896 -0.02549 90 4YY -0.04553 -0.02057 -0.02902 0.03084 0.04608 91 4ZZ 0.00126 -0.01062 0.00763 0.02525 -0.02532 92 4XY 0.02369 -0.04603 -0.00935 -0.01939 -0.01166 93 4XZ -0.03160 -0.03639 0.01748 0.02829 -0.01485 94 4YZ 0.03050 -0.03431 0.03012 0.01115 -0.01026 95 7 C 1S 0.00484 -0.00540 0.00781 -0.00728 -0.02125 96 2S -0.12628 0.03017 0.09257 -0.08546 -0.23640 97 2PX 0.29491 0.18273 0.11935 -0.12407 -0.13631 98 2PY 0.24780 0.04947 0.01090 0.12421 0.03516 99 2PZ -0.27378 0.15065 -0.31155 -0.08356 0.05200 100 3S 1.23835 -0.39787 -0.62035 0.66852 0.40676 101 3PX -1.10345 -0.96047 0.26754 0.74167 0.57368 102 3PY -1.48484 -0.51279 0.46627 -0.96804 -0.50997 103 3PZ 0.14522 -0.92597 1.38151 0.32916 0.04923 104 4XX 0.01540 0.01272 0.04525 0.00992 -0.02526 105 4YY -0.00039 0.01525 -0.02124 0.00545 -0.03908 106 4ZZ -0.00734 -0.02883 -0.01353 -0.01801 0.00793 107 4XY -0.00061 -0.04611 -0.02369 0.01963 0.01309 108 4XZ -0.00683 -0.03197 -0.02027 0.02610 -0.01055 109 4YZ 0.04795 -0.03818 0.04041 -0.00907 -0.01829 110 8 C 1S 0.02089 0.01543 -0.00689 0.00931 0.00842 111 2S -0.07807 -0.23107 0.30246 0.02347 -0.32931 112 2PX -0.20686 -0.12243 -0.00804 -0.25774 -0.13680 113 2PY -0.18026 -0.21718 0.25797 -0.21994 0.06571 114 2PZ 0.09492 -0.16133 0.33957 -0.29738 0.03678 115 3S -0.78360 0.67135 -0.28092 -0.57719 1.05396 116 3PX 0.82479 0.30826 -0.21527 1.27275 0.31253 117 3PY 1.29814 1.04704 -1.33485 0.52865 -0.83660 118 3PZ -0.20945 0.25918 -0.91412 0.61290 0.05094 119 4XX -0.03176 -0.01377 -0.03366 -0.04294 -0.00336 120 4YY -0.01738 -0.00669 0.06585 0.02857 0.01143 121 4ZZ 0.03412 -0.00128 -0.00067 -0.02406 -0.02256 122 4XY 0.00894 -0.02506 -0.00862 0.02767 0.05770 123 4XZ 0.01439 0.04135 0.01021 0.05180 -0.00489 124 4YZ 0.01041 0.01190 -0.06311 0.05776 0.05175 125 9 C 1S 0.02083 -0.00850 0.03508 -0.00290 0.02334 126 2S -0.23776 0.01155 -0.10514 -0.03782 -0.29058 127 2PX -0.01056 0.04808 -0.00092 0.03852 -0.21903 128 2PY 0.08062 -0.07366 0.36692 -0.07465 0.22638 129 2PZ 0.00236 0.13454 -0.34179 0.06995 -0.66235 130 3S 1.95305 0.61325 0.15325 -0.27846 -0.92122 131 3PX 0.13960 -0.09952 -0.13861 -0.03665 0.60557 132 3PY 0.64878 0.48350 -1.26411 0.38548 -0.95807 133 3PZ -0.42446 -0.58473 1.54170 0.08666 2.48530 134 4XX -0.02245 0.01203 -0.02698 0.01339 -0.03108 135 4YY 0.01619 0.00851 0.00168 0.02110 -0.07169 136 4ZZ 0.02344 -0.01583 0.01560 -0.05134 0.02656 137 4XY 0.01410 0.02676 0.04718 0.01261 -0.06103 138 4XZ 0.03540 -0.00529 0.00846 -0.03412 0.01050 139 4YZ 0.01451 0.02267 0.02565 -0.02531 -0.09356 140 10 H 1S -0.07580 -0.14863 -0.24285 -0.40418 -0.06387 141 2S -0.84678 -0.00620 0.29436 1.66563 1.01340 142 11 H 1S -0.26703 -0.03168 0.07519 -0.11502 -0.19768 143 2S 1.46249 0.24697 -0.06971 0.34704 0.35169 144 12 H 1S 0.06371 0.17014 -0.21719 0.31890 0.09660 145 2S -0.49696 -0.76512 1.12887 -1.02573 -0.27162 146 13 H 1S 0.02327 -0.17469 0.18574 -0.04549 0.45395 147 2S -0.06813 0.49394 -1.19363 0.18737 -2.00473 148 14 C 1S -0.00362 -0.00384 0.00628 -0.00835 -0.00495 149 2S 0.08876 0.02662 0.20896 0.16162 0.00852 150 2PX -0.04972 -0.03760 0.06839 0.08106 -0.10215 151 2PY -0.31885 0.48600 0.19231 -0.22096 0.21085 152 2PZ -0.18453 0.27403 0.23767 -0.05701 0.09374 153 3S -0.84927 -0.02798 -0.40122 -0.55486 -0.23712 154 3PX -0.32259 0.05481 -0.18447 -0.27582 0.11248 155 3PY 0.88302 -1.30158 -0.75647 0.38854 -0.57226 156 3PZ 0.52168 -0.74214 -0.76504 0.19453 -0.28340 157 4XX 0.00086 -0.00640 -0.01098 0.00717 0.01032 158 4YY -0.00241 -0.03023 0.00368 0.01572 -0.00940 159 4ZZ 0.01872 0.04238 0.03092 -0.01222 0.00102 160 4XY -0.01891 0.06160 -0.00059 -0.00534 0.02652 161 4XZ -0.00528 0.02755 0.01915 -0.02810 0.00607 162 4YZ -0.01066 0.01517 0.03642 0.00791 -0.00532 163 15 H 1S 0.06083 -0.31862 -0.09604 0.05860 -0.09211 164 2S -0.49644 1.00515 0.49736 -0.24050 0.50897 165 16 H 1S -0.13638 0.22374 0.22163 -0.07375 0.00830 166 2S 0.61920 -1.03708 -0.73063 0.28780 -0.32329 167 17 C 1S 0.00842 0.00526 -0.00296 0.00726 -0.00709 168 2S 0.02455 -0.07209 0.09399 -0.24420 -0.15919 169 2PX -0.04297 -0.57771 0.06038 0.09838 -0.05154 170 2PY -0.06969 -0.01451 0.02117 0.08077 0.06483 171 2PZ -0.01280 -0.48150 0.08175 0.04658 -0.03085 172 3S 0.45348 0.51876 -0.46898 0.85545 0.53670 173 3PX 0.44966 1.56494 -0.17418 -0.30504 0.02242 174 3PY 0.07255 -0.01521 0.15798 -0.31687 -0.35546 175 3PZ -0.12931 1.29267 -0.45468 -0.28240 -0.04876 176 4XX 0.01359 -0.01843 0.00250 -0.00155 -0.01549 177 4YY 0.01900 0.00611 0.00911 -0.01081 -0.00293 178 4ZZ -0.02111 0.00558 -0.00353 -0.02558 -0.00116 179 4XY -0.00527 0.05334 0.04162 -0.03523 -0.00168 180 4XZ 0.01649 -0.00145 -0.00030 -0.00191 -0.02553 181 4YZ -0.01446 0.05352 -0.00333 -0.00873 -0.01287 182 18 H 1S 0.02427 0.27355 0.00695 -0.09777 -0.06717 183 2S -0.13353 -1.34561 0.17534 0.30574 0.15024 184 19 H 1S 0.07159 -0.28930 -0.03653 0.14796 -0.02894 185 2S 0.00697 1.18208 -0.10579 -0.38994 0.02977 96 97 98 99 100 V V V V V Eigenvalues -- 0.84863 0.85336 0.86763 0.89041 0.91260 1 1 S 1S -0.00868 0.00009 -0.01040 0.01072 -0.00410 2 2S -0.00725 0.00846 -0.03876 0.01670 -0.01647 3 2PX 0.00317 0.00979 -0.01466 0.02650 0.00600 4 2PY 0.00953 0.01212 0.02764 -0.01382 0.01099 5 2PZ -0.00157 -0.00796 -0.01493 -0.00154 0.00460 6 3S -0.25985 0.02318 -0.36787 0.36081 -0.15047 7 3PX -0.01902 -0.07394 0.12405 -0.13072 0.00111 8 3PY -0.07741 -0.07146 -0.16693 0.08908 -0.05279 9 3PZ 0.02244 0.06006 0.11098 0.02571 -0.02630 10 4S 0.45280 -0.03214 0.38124 -0.83927 0.20904 11 4PX -0.19588 0.00501 -0.34015 0.46983 -0.11845 12 4PY -0.17746 -0.00582 -0.15083 -0.20122 -0.08392 13 4PZ 0.30703 -0.05913 -0.11242 -0.49885 0.05547 14 5XX -0.02821 0.08737 0.10128 0.02992 0.02838 15 5YY -0.24064 -0.02260 -0.13059 0.23711 -0.09414 16 5ZZ 0.23229 -0.04094 -0.14235 -0.26500 -0.00047 17 5XY 0.28587 0.09982 0.28097 0.30168 0.14679 18 5XZ -0.11064 0.10657 0.39953 0.30656 0.00529 19 5YZ 0.07621 0.10026 0.15765 0.20359 -0.04280 20 2 O 1S -0.01187 -0.00476 -0.01166 -0.00289 -0.00332 21 2S 0.08057 0.09768 0.18485 0.08126 -0.03177 22 2PX 0.04774 0.00582 -0.06257 0.09638 -0.05538 23 2PY 0.11756 0.05782 0.24881 -0.00204 0.01021 24 2PZ -0.06155 -0.02599 -0.07312 -0.02313 -0.04609 25 3S 0.04295 -0.09764 -0.17480 -0.00620 0.09249 26 3PX -0.08848 -0.01675 0.08522 -0.20927 0.05073 27 3PY -0.30682 -0.15907 -0.50194 0.02136 -0.05482 28 3PZ 0.15975 0.05557 0.16170 0.01644 0.08230 29 4XX 0.03281 0.03467 0.05677 0.02026 -0.00906 30 4YY 0.03979 0.01816 0.03295 -0.00461 -0.00812 31 4ZZ 0.00903 0.03927 0.09624 0.04162 -0.01089 32 4XY -0.05077 -0.00488 0.00335 -0.02289 -0.02096 33 4XZ 0.02061 0.01003 0.04287 0.02445 0.00851 34 4YZ 0.02597 -0.00928 0.00142 -0.06087 0.01622 35 3 O 1S 0.01023 0.00883 0.01663 0.01234 0.00575 36 2S -0.11149 -0.05523 -0.29501 -0.15610 0.03736 37 2PX 0.00470 -0.03329 -0.14326 -0.05034 -0.04703 38 2PY -0.06218 0.02107 -0.12225 -0.11030 -0.04843 39 2PZ 0.12726 0.05535 -0.05141 0.01338 -0.04927 40 3S 0.05098 -0.06587 0.43599 0.36146 -0.32543 41 3PX 0.01152 0.04468 -0.12093 -0.14389 0.13942 42 3PY -0.15854 -0.11945 0.01998 -0.03703 0.03725 43 3PZ -0.16575 -0.14220 -0.07997 0.01832 0.02898 44 4XX -0.00866 -0.01308 -0.09406 0.00739 -0.01260 45 4YY -0.05054 -0.00227 -0.05321 -0.03804 0.01670 46 4ZZ -0.01401 -0.01940 -0.04730 -0.03686 0.02517 47 4XY 0.03293 0.03337 0.02070 0.00590 -0.01504 48 4XZ 0.01132 0.02273 -0.01616 0.04909 -0.00503 49 4YZ -0.00873 0.01012 0.01890 0.05637 0.01237 50 4 C 1S -0.01083 -0.00285 -0.00270 0.00721 0.00359 51 2S -0.00169 -0.02510 0.18044 -0.16070 -0.00700 52 2PX 0.01137 0.08781 -0.13040 0.09283 0.06900 53 2PY -0.10778 0.25008 -0.33951 0.28191 0.20367 54 2PZ 0.25147 0.03646 -0.19804 0.01253 -0.00774 55 3S 0.28516 -0.71040 0.25224 0.27530 0.16572 56 3PX -0.13403 -0.34049 0.72319 0.00915 -0.18879 57 3PY 0.18373 -1.21707 1.06005 -0.73292 -0.53382 58 3PZ -1.77087 0.10642 1.12671 -0.37616 0.10219 59 4XX 0.02462 -0.01125 0.04207 -0.05458 -0.00036 60 4YY -0.03889 -0.01205 -0.04321 0.07541 -0.00740 61 4ZZ 0.01128 -0.01788 0.04493 -0.04113 -0.00577 62 4XY -0.04276 -0.01941 0.02471 -0.04527 0.03928 63 4XZ 0.04086 -0.01701 0.02023 0.02163 -0.00234 64 4YZ -0.03406 -0.02011 0.04638 -0.01014 0.00727 65 5 C 1S -0.00457 -0.01726 0.00783 0.00145 -0.01325 66 2S 0.23187 -0.04140 -0.18726 -0.12365 -0.44324 67 2PX 0.09179 -0.05443 0.17660 0.12881 0.17189 68 2PY -0.48641 -0.13802 0.21984 -0.02394 0.19303 69 2PZ -0.03107 -0.14000 -0.02638 0.08059 0.25645 70 3S -0.96615 1.48623 0.51122 0.08195 1.63989 71 3PX -0.43536 -0.08723 -0.62044 -0.55571 -0.16069 72 3PY 2.09711 0.86691 -0.92994 0.10160 0.05538 73 3PZ -0.56797 0.64267 0.21375 -0.25938 -0.27297 74 4XX 0.00212 0.01624 0.00840 -0.06478 -0.02277 75 4YY 0.01532 -0.01057 -0.00557 -0.01073 -0.00025 76 4ZZ -0.00142 0.00203 -0.02532 0.04294 -0.03416 77 4XY 0.00075 -0.06475 0.00337 0.03932 0.02335 78 4XZ -0.05761 -0.02412 0.01648 -0.03583 0.03416 79 4YZ 0.00360 -0.02450 -0.00397 0.03883 0.00825 80 6 C 1S 0.01519 0.00214 0.00593 -0.01214 0.00283 81 2S 0.16443 -0.07403 0.11870 -0.17853 0.04257 82 2PX 0.26114 -0.01653 0.03777 -0.06158 0.10595 83 2PY -0.00826 -0.26713 -0.00701 0.04957 -0.04025 84 2PZ -0.27943 -0.13124 -0.04142 -0.04291 -0.00377 85 3S -0.60724 0.55181 0.07745 0.17194 -0.50044 86 3PX -1.00666 -0.29229 0.45491 0.64147 -0.23400 87 3PY 0.28625 2.08390 0.01873 0.17453 0.25798 88 3PZ 0.86924 0.97606 0.02314 0.60760 0.25825 89 4XX 0.04586 -0.03114 0.01783 -0.00758 0.03084 90 4YY -0.03757 0.03661 0.01446 -0.02991 -0.02324 91 4ZZ 0.01706 -0.01184 0.00541 -0.01921 -0.00230 92 4XY 0.01885 -0.00601 0.00463 0.02047 0.01102 93 4XZ 0.04589 -0.00332 0.01898 -0.01248 -0.00780 94 4YZ -0.01478 0.01742 0.01756 -0.02582 0.03322 95 7 C 1S 0.00544 -0.00230 0.02175 -0.01892 0.00666 96 2S 0.09532 0.00252 0.25684 -0.37209 0.02734 97 2PX -0.17189 -0.27350 0.13667 -0.26552 0.05646 98 2PY -0.15062 0.02506 -0.12109 0.26776 -0.16321 99 2PZ 0.30282 -0.20228 -0.08000 -0.01666 -0.01120 100 3S -0.18592 -0.49799 -0.88303 0.42081 -0.27348 101 3PX 0.48895 1.97195 -0.88700 1.18629 -0.39222 102 3PY 0.76092 -0.25505 0.81074 -0.76538 0.36463 103 3PZ -0.70089 1.41446 0.29239 0.48188 -0.15373 104 4XX -0.00508 -0.02657 0.03472 0.03665 0.01905 105 4YY 0.02368 0.01749 0.03222 -0.11068 0.00884 106 4ZZ 0.01006 0.00101 -0.00635 0.00089 -0.01178 107 4XY 0.00186 0.00850 -0.00103 -0.01415 -0.00383 108 4XZ -0.01612 -0.02981 0.01093 0.01296 -0.01381 109 4YZ 0.01299 -0.00154 0.03430 -0.05420 0.04380 110 8 C 1S 0.01198 0.00509 -0.01791 -0.02944 0.00033 111 2S -0.15491 0.06908 0.34589 0.18558 -0.38302 112 2PX 0.07370 -0.04355 0.14028 -0.25391 -0.18624 113 2PY -0.00572 -0.07097 -0.04526 0.19571 -0.22089 114 2PZ -0.06239 -0.21513 0.28568 -0.18081 -0.22179 115 3S 0.83849 -1.52516 -0.60899 -0.26335 1.21089 116 3PX -0.55205 0.81716 -0.58809 1.39090 -0.05734 117 3PY -0.32444 0.10882 0.64407 -1.12076 0.49452 118 3PZ 0.61828 0.75104 -1.28053 0.42304 0.12121 119 4XX 0.00026 -0.01274 -0.00925 -0.03904 -0.05455 120 4YY 0.01376 -0.03340 0.03184 0.04563 -0.01193 121 4ZZ 0.01259 0.03104 -0.02416 -0.04924 0.00878 122 4XY -0.01046 0.04776 -0.03076 0.00717 0.00679 123 4XZ -0.04207 0.00904 0.05660 0.04145 0.04505 124 4YZ -0.00480 0.03236 -0.01758 -0.00790 0.03163 125 9 C 1S -0.00066 0.00130 -0.00940 0.01466 0.00315 126 2S 0.08292 -0.03911 0.12385 0.00488 -0.10520 127 2PX 0.18619 0.08049 -0.14708 0.00734 -0.04779 128 2PY 0.13783 -0.03182 -0.28213 0.07508 0.06381 129 2PZ 0.00128 0.28706 -0.01450 -0.03284 -0.27761 130 3S 0.14008 0.74161 -0.78026 -0.08244 0.54372 131 3PX -0.70313 -0.32902 0.73160 -0.52698 0.14675 132 3PY -1.06760 0.36538 1.29079 -0.48859 -0.06821 133 3PZ -0.02576 -1.24442 0.64891 0.02918 0.57179 134 4XX -0.01567 0.00753 0.00800 0.01595 -0.03217 135 4YY 0.02184 0.01229 0.02836 -0.01636 -0.02635 136 4ZZ 0.00036 0.01469 -0.03978 0.02089 0.03395 137 4XY 0.01199 -0.00697 0.02822 0.01007 0.01652 138 4XZ -0.01911 0.02970 -0.07027 0.05439 -0.00454 139 4YZ 0.05675 0.01301 -0.01366 -0.03046 0.00159 140 10 H 1S -0.13798 0.08290 -0.18391 0.15337 -0.01061 141 2S 0.32440 -0.70070 0.88305 -0.66092 -0.39832 142 11 H 1S -0.15710 -0.23913 0.14277 0.09415 0.30580 143 2S 0.72740 0.59880 -0.50334 -0.38422 -0.72033 144 12 H 1S -0.02623 0.16571 -0.18381 -0.08527 0.33489 145 2S -0.05336 -0.57473 0.70439 -0.08499 -0.75387 146 13 H 1S -0.07634 -0.07667 -0.13908 0.06094 0.06701 147 2S 0.05557 0.70493 0.08966 -0.15744 -0.55908 148 14 C 1S 0.00640 -0.00037 0.00303 -0.00567 0.01450 149 2S 0.32537 -0.04622 -0.11308 0.11283 -0.65603 150 2PX 0.20469 -0.03747 -0.05106 0.13159 0.24126 151 2PY -0.28258 0.50165 -0.03811 -0.13571 -0.09044 152 2PZ -0.09603 0.29669 0.06170 -0.01376 0.12531 153 3S -0.65275 -0.18044 0.45137 0.42920 1.33477 154 3PX -0.39854 0.09042 0.08130 0.08121 -0.26055 155 3PY 0.74820 -1.67775 0.02394 0.13805 0.03178 156 3PZ -0.09660 -0.97507 -0.01391 0.13348 -0.29768 157 4XX -0.00025 -0.00964 -0.00626 0.01949 -0.08010 158 4YY 0.03551 -0.01121 0.00718 0.02144 0.01371 159 4ZZ 0.01253 0.01543 -0.02226 -0.01522 -0.03261 160 4XY -0.01571 0.04620 -0.00045 -0.04394 -0.03693 161 4XZ 0.01103 0.02583 0.00097 -0.00982 -0.00454 162 4YZ 0.02032 0.02611 -0.00146 -0.02767 0.04312 163 15 H 1S 0.05144 -0.22913 0.01050 0.16406 0.32847 164 2S -0.46862 1.26701 -0.10837 -0.30893 -0.61756 165 16 H 1S 0.06894 0.29627 -0.00830 -0.14723 0.23608 166 2S 0.18821 -1.26309 -0.02986 0.28416 -0.63169 167 17 C 1S 0.00899 0.00044 -0.00373 -0.00953 0.01572 168 2S -0.01719 0.02015 0.22227 -0.45393 -0.49686 169 2PX 0.01910 0.45559 0.06199 -0.21632 0.14283 170 2PY -0.00826 0.02532 -0.02180 0.27872 -0.33644 171 2PZ 0.04141 0.45500 0.03930 -0.06484 -0.02490 172 3S -0.29762 0.29299 -0.80665 1.05752 0.86942 173 3PX -0.27925 -1.55140 0.00927 0.39852 -0.11122 174 3PY 0.15526 -0.12585 0.35227 -0.79496 0.57929 175 3PZ 0.15908 -1.38555 -0.05042 0.05094 0.12001 176 4XX 0.00651 0.01120 0.02542 -0.04985 0.01879 177 4YY -0.00926 0.00492 0.00528 0.00897 -0.06492 178 4ZZ 0.00101 -0.00843 -0.00545 -0.01174 -0.03376 179 4XY 0.00623 -0.05530 0.01161 0.01737 -0.01609 180 4XZ 0.01681 -0.01616 0.00419 -0.05233 0.07454 181 4YZ 0.01578 -0.04062 -0.01456 0.00017 -0.02767 182 18 H 1S 0.08857 -0.34551 -0.06582 -0.12061 0.21512 183 2S -0.07198 1.36332 0.04312 -0.01684 -0.54007 184 19 H 1S -0.00510 0.24430 -0.03716 -0.13361 0.40991 185 2S -0.09284 -1.35425 0.02240 0.47395 -0.75203 101 102 103 104 105 V V V V V Eigenvalues -- 0.93213 0.94936 0.95610 0.96985 0.98323 1 1 S 1S 0.00651 0.00445 0.00937 -0.00128 -0.00012 2 2S 0.00789 0.01390 0.01845 0.00350 -0.00509 3 2PX 0.00283 -0.00100 0.00496 0.00041 0.00348 4 2PY -0.01615 -0.02610 0.02038 -0.00343 -0.00322 5 2PZ 0.00478 0.01134 -0.02472 0.00898 -0.01326 6 3S 0.20581 0.15017 0.31605 -0.04693 -0.01599 7 3PX -0.01109 -0.00674 -0.04873 0.00175 -0.01180 8 3PY 0.10576 0.14669 -0.12196 0.05263 0.00625 9 3PZ -0.05014 -0.08751 0.13073 -0.09137 0.09042 10 4S -0.47683 -0.19401 -0.82499 0.25492 -0.04383 11 4PX 0.28697 0.18438 0.40836 -0.10468 0.11458 12 4PY -0.35031 -0.19467 -0.02895 -0.21935 -0.13167 13 4PZ -0.05972 -0.04367 -0.31154 0.21391 -0.07769 14 5XX -0.24716 -0.04617 -0.02264 -0.00295 -0.03494 15 5YY 0.06688 0.10560 -0.06256 -0.10614 0.03708 16 5ZZ 0.19409 0.01067 0.12213 0.16697 -0.01628 17 5XY 0.24259 0.11458 -0.05755 0.22654 0.14467 18 5XZ 0.07042 -0.06481 0.21218 -0.10991 0.03375 19 5YZ -0.19069 -0.08087 -0.07338 -0.23130 0.08004 20 2 O 1S 0.00364 0.00706 -0.00768 0.00299 -0.00478 21 2S -0.19448 0.00621 -0.06519 -0.03643 -0.06483 22 2PX -0.14288 0.12611 -0.00708 -0.01550 0.19140 23 2PY -0.07382 -0.05472 0.02055 -0.17112 0.11527 24 2PZ 0.05107 0.06793 0.04963 -0.07840 0.16500 25 3S 0.40280 -0.02953 0.26274 0.06959 0.18466 26 3PX 0.10659 -0.19658 -0.00410 -0.01754 -0.26841 27 3PY 0.25246 0.22874 -0.08360 0.32049 -0.18123 28 3PZ -0.09351 -0.13619 0.01579 0.07952 -0.18294 29 4XX -0.08955 -0.01355 -0.02352 -0.03004 -0.01927 30 4YY -0.02953 0.02325 -0.02357 0.03480 -0.04361 31 4ZZ -0.06928 -0.01017 -0.03162 -0.05266 -0.00108 32 4XY -0.01989 -0.02854 0.02926 -0.04272 -0.03033 33 4XZ 0.00494 0.00462 -0.01950 0.02058 0.01176 34 4YZ 0.01226 -0.01848 0.01103 0.03182 -0.01479 35 3 O 1S -0.00003 -0.00265 -0.00972 -0.00067 0.00477 36 2S 0.02099 -0.05637 -0.00135 -0.17217 0.18995 37 2PX 0.10820 0.13557 0.10446 -0.00747 0.05220 38 2PY -0.16225 0.03866 0.04880 0.11821 -0.09940 39 2PZ -0.00264 0.14002 -0.06243 0.24940 -0.15235 40 3S 0.15727 0.43654 0.36493 0.24920 -0.26281 41 3PX -0.20268 -0.35088 -0.23667 0.03630 -0.17519 42 3PY 0.15267 -0.00086 -0.08467 -0.09764 0.13340 43 3PZ 0.08430 -0.16609 0.20713 -0.32750 0.27269 44 4XX 0.04856 0.03631 -0.01213 -0.05549 0.07840 45 4YY 0.00899 -0.02402 0.01755 -0.04673 0.07084 46 4ZZ -0.01631 -0.04181 -0.00680 -0.06391 0.04668 47 4XY -0.02203 0.00019 0.06148 -0.03630 0.03227 48 4XZ 0.01118 0.01383 0.01380 -0.00867 0.02706 49 4YZ 0.02202 0.03635 -0.04055 0.05564 -0.01206 50 4 C 1S 0.00645 0.01375 -0.02594 0.00889 -0.00376 51 2S -0.27172 0.27855 -1.04189 0.21745 -0.14569 52 2PX 0.01805 -0.11839 0.00980 0.02086 0.05217 53 2PY 0.10528 -0.10999 0.08997 0.06733 0.06835 54 2PZ -0.15523 -0.19158 -0.06574 -0.20148 -0.00721 55 3S 1.60799 -0.32058 3.01916 0.00161 0.62547 56 3PX 0.34413 0.70521 0.15176 0.31005 -0.10220 57 3PY -0.18977 0.28848 0.13755 -0.42563 0.09726 58 3PZ 0.76866 1.21582 0.27457 1.58621 -0.12475 59 4XX -0.01830 -0.02125 -0.00001 0.00256 -0.01062 60 4YY 0.00090 0.05026 -0.06949 0.00009 -0.00317 61 4ZZ 0.00426 0.03117 -0.06533 0.02456 -0.00120 62 4XY -0.02824 -0.05015 0.00435 -0.02414 -0.00889 63 4XZ 0.05565 0.06637 -0.03941 0.07211 -0.01552 64 4YZ 0.01682 0.01038 -0.00205 0.03473 -0.01282 65 5 C 1S 0.00148 -0.00057 0.00517 -0.01505 0.01512 66 2S 0.06407 0.34827 0.16612 -0.34682 0.23344 67 2PX 0.06635 -0.06342 0.01144 0.16510 -0.01576 68 2PY -0.09494 -0.05281 -0.13868 0.13766 0.09460 69 2PZ 0.06719 -0.25672 0.01563 0.05944 0.14145 70 3S -0.70293 -1.02751 -0.78113 1.60619 -0.67875 71 3PX -0.29124 -0.10362 -0.34044 -0.26824 -0.18036 72 3PY -0.48132 -0.98513 0.54521 -0.95272 -0.42221 73 3PZ -0.25554 0.71996 -0.10325 0.29587 -0.73702 74 4XX -0.04117 -0.03037 0.01190 -0.05740 -0.01412 75 4YY 0.00972 0.00444 -0.02406 0.02066 0.01334 76 4ZZ 0.00963 0.04349 -0.00031 0.00000 0.02406 77 4XY 0.04142 -0.00008 -0.06634 0.05241 -0.03274 78 4XZ -0.03064 -0.07573 -0.01333 -0.03682 -0.00309 79 4YZ -0.04109 -0.06304 0.03791 -0.01994 0.01015 80 6 C 1S -0.02264 -0.02288 0.02109 0.00292 -0.00418 81 2S -0.42542 -0.61307 0.14543 0.27225 0.01014 82 2PX -0.38146 -0.11643 0.17603 -0.05457 -0.06320 83 2PY -0.10327 0.01256 -0.11560 0.22265 -0.08374 84 2PZ -0.21689 -0.09264 0.38468 0.10543 -0.08114 85 3S 0.98238 1.73825 0.10877 -1.06151 0.74117 86 3PX 2.23938 1.22463 -1.17807 0.46480 0.96534 87 3PY -0.15153 -0.23371 0.23834 -0.55993 0.40550 88 3PZ 1.37504 0.45301 -1.39706 -0.22616 0.96022 89 4XX -0.02788 -0.02744 0.00269 0.04828 -0.01520 90 4YY -0.04783 -0.02844 0.03320 -0.01854 0.00926 91 4ZZ 0.00528 -0.02849 0.01451 -0.03132 0.01036 92 4XY 0.03403 0.00698 -0.05841 -0.02345 -0.02113 93 4XZ -0.04619 -0.03555 0.08830 -0.00206 -0.00142 94 4YZ 0.01265 -0.03916 -0.03895 -0.01954 0.01394 95 7 C 1S 0.01480 -0.00472 -0.00217 -0.00715 0.00469 96 2S 0.46533 -0.30291 0.04776 -0.14117 -0.09456 97 2PX -0.23451 0.01674 0.08327 0.18674 -0.02354 98 2PY -0.17034 -0.04113 0.03498 0.29477 -0.18706 99 2PZ 0.05091 -0.02601 0.20695 0.20275 -0.09129 100 3S -2.19512 0.25507 -0.08303 -0.61343 -0.05118 101 3PX -0.15885 -0.19197 -0.51581 -0.75764 0.39554 102 3PY 1.54141 0.95469 -0.72705 -0.96800 1.23296 103 3PZ 0.33494 0.49001 -0.68813 -0.58901 0.84913 104 4XX 0.02315 -0.02495 -0.01352 -0.00161 -0.00615 105 4YY 0.05515 -0.00321 0.02300 -0.04960 0.02141 106 4ZZ -0.03974 -0.02333 0.00399 0.01529 -0.02478 107 4XY -0.02222 -0.01475 0.03895 0.04212 0.00088 108 4XZ -0.02518 -0.03088 0.04214 -0.04181 -0.00324 109 4YZ -0.01000 -0.04668 -0.01994 0.01034 -0.01102 110 8 C 1S -0.00294 0.00241 -0.01150 0.01624 -0.00397 111 2S -0.00551 0.35776 0.29752 0.03452 0.20733 112 2PX -0.04684 0.05064 0.09673 0.02411 0.09119 113 2PY -0.19795 0.17175 -0.16229 -0.12738 -0.05358 114 2PZ 0.14038 0.30842 0.17051 0.09249 0.04486 115 3S 0.10967 -1.02240 -1.04774 -0.62398 -0.67008 116 3PX -0.29360 -0.06530 -0.08635 -0.33529 -0.23848 117 3PY 1.15567 -0.12134 1.11670 1.12963 0.00616 118 3PZ -1.21075 -0.91615 -1.02128 -0.60020 -0.42342 119 4XX 0.01552 0.05288 0.05045 0.01128 0.01574 120 4YY -0.00465 0.01944 0.01139 -0.00385 0.01108 121 4ZZ -0.01807 -0.01921 -0.05045 0.01756 -0.01940 122 4XY 0.01102 0.01008 -0.03022 0.03137 -0.00971 123 4XZ 0.05552 -0.02348 -0.00296 -0.01580 -0.02421 124 4YZ 0.04554 -0.03152 0.02491 0.00611 -0.01414 125 9 C 1S -0.01303 0.00384 -0.02130 0.00732 -0.00367 126 2S -0.39309 0.29300 -0.61585 0.28871 -0.17952 127 2PX -0.10151 -0.01756 -0.12173 -0.01769 -0.02486 128 2PY -0.12875 -0.07164 -0.20176 -0.09584 0.02500 129 2PZ -0.36395 0.05143 -0.06063 -0.13344 -0.01021 130 3S 0.97802 -1.09245 1.13075 -0.45059 0.45655 131 3PX 0.73034 0.26373 0.70076 0.68491 0.11559 132 3PY 1.31423 0.86387 1.38705 1.35089 0.13435 133 3PZ 1.10800 0.11245 0.31494 0.27142 -0.05665 134 4XX -0.03553 0.00337 -0.01175 -0.02864 -0.00535 135 4YY -0.02005 0.04550 -0.03936 0.06175 -0.00171 136 4ZZ -0.02417 -0.01548 -0.03912 0.00066 -0.01842 137 4XY -0.01133 -0.01676 -0.03320 -0.03488 0.00358 138 4XZ -0.01494 0.02781 -0.05691 0.04101 -0.00447 139 4YZ -0.02629 -0.03325 -0.04242 -0.01236 -0.00990 140 10 H 1S -0.04262 0.00344 0.13626 -0.16865 0.05343 141 2S -0.33813 0.30576 -0.62273 -0.09462 -0.12148 142 11 H 1S -0.00593 -0.42041 -0.18423 -0.04220 0.05213 143 2S -0.07491 0.73166 0.43999 -0.65096 -0.43140 144 12 H 1S 0.06621 -0.30596 -0.08564 0.18438 -0.11062 145 2S -0.05673 0.97580 0.46469 -0.06089 0.60352 146 13 H 1S 0.05791 0.05829 0.08680 0.06066 0.10170 147 2S -0.75518 0.21717 -0.32563 0.03829 -0.11779 148 14 C 1S -0.00453 0.00919 0.01215 -0.00328 -0.01427 149 2S -0.24431 -0.53370 0.33552 0.53131 0.71411 150 2PX -0.13985 0.20126 0.32898 -0.05356 -0.34928 151 2PY -0.04980 -0.00263 -0.02546 0.18313 0.09208 152 2PZ -0.15803 0.20498 0.16986 0.11100 -0.14959 153 3S 1.77250 1.59608 -1.44828 -0.43129 -1.13630 154 3PX 0.82069 -0.10581 -1.29710 0.23564 1.04901 155 3PY 0.10776 -0.20189 0.19684 -0.54265 -0.60082 156 3PZ 0.66424 -0.25168 -0.42011 -0.21063 0.28683 157 4XX 0.01891 -0.04661 -0.00168 0.05896 0.07259 158 4YY -0.05325 0.01172 0.06241 0.02556 -0.03556 159 4ZZ 0.02046 -0.02697 -0.03218 0.00066 0.05875 160 4XY 0.02232 0.01314 0.01187 -0.03654 0.01259 161 4XZ 0.02342 0.00183 -0.01315 0.03003 -0.01093 162 4YZ -0.04619 0.02862 0.09456 -0.03307 -0.06115 163 15 H 1S -0.23135 0.22764 0.18076 -0.04898 -0.38460 164 2S 0.08141 -0.30989 -0.45428 0.53902 1.46535 165 16 H 1S -0.00390 0.30068 0.22135 -0.29955 -0.35917 166 2S 0.30021 -0.82753 -0.47965 0.14790 0.82420 167 17 C 1S -0.00131 0.01233 0.00028 -0.00031 0.01339 168 2S 0.54960 -0.22257 -0.30752 -0.38200 -0.49126 169 2PX 0.04039 0.03660 0.07844 0.24996 0.10996 170 2PY 0.07652 -0.23966 0.08716 0.14097 -0.46876 171 2PZ -0.05698 -0.14760 0.02175 0.17720 -0.05021 172 3S -1.51301 -0.21128 0.98312 1.31020 0.58820 173 3PX -0.08251 0.01005 -0.08199 -0.47499 -0.65376 174 3PY 0.29035 0.73944 -0.34519 -0.55535 1.34426 175 3PZ 0.26878 0.35754 -0.03624 -0.61925 -0.08652 176 4XX 0.04328 0.00833 -0.01384 -0.02532 0.02219 177 4YY 0.05319 -0.04391 -0.02415 0.01681 -0.07794 178 4ZZ -0.01659 0.00407 -0.00607 -0.03543 -0.01484 179 4XY -0.03294 0.00650 0.01631 0.02065 0.00615 180 4XZ -0.00341 0.05598 -0.01729 -0.03551 0.09109 181 4YZ -0.00106 0.01227 0.03889 0.01156 0.01261 182 18 H 1S -0.27869 0.28604 0.12049 0.08725 0.39210 183 2S 0.29004 -0.73887 -0.17412 0.33739 -0.81379 184 19 H 1S -0.00682 0.25885 -0.16172 -0.09889 0.37342 185 2S 0.15190 -0.27258 0.07088 -0.41031 -1.44038 106 107 108 109 110 V V V V V Eigenvalues -- 0.99813 1.02394 1.06489 1.08332 1.08909 1 1 S 1S 0.01081 -0.00070 0.00511 0.00129 -0.00013 2 2S 0.03210 0.01028 0.04900 0.03052 -0.02157 3 2PX -0.00317 -0.01220 -0.00217 0.00050 0.01531 4 2PY 0.00124 -0.01907 0.02364 0.01423 -0.01004 5 2PZ -0.00569 -0.01618 -0.02598 0.01944 -0.01364 6 3S 0.41032 0.02954 0.26585 0.11938 -0.06339 7 3PX -0.00819 0.06900 -0.01065 0.00921 -0.05553 8 3PY 0.02048 0.13584 -0.05100 0.00016 0.03456 9 3PZ 0.01361 0.09085 0.11915 -0.13442 0.09135 10 4S -0.94901 -0.27389 -0.65058 -0.19822 0.29080 11 4PX 0.42280 0.38987 0.47534 0.31366 0.06052 12 4PY 0.21765 0.01642 0.00748 0.40628 0.06142 13 4PZ -0.31537 0.04425 -0.18761 0.53715 -0.40571 14 5XX -0.07075 -0.40672 0.09305 0.08246 0.01239 15 5YY -0.04236 0.05829 -0.11754 0.05804 -0.04865 16 5ZZ 0.13536 0.30152 0.14618 -0.08664 0.00394 17 5XY -0.21758 -0.00390 0.21937 -0.03789 0.10394 18 5XZ 0.23903 0.07798 0.09461 -0.19851 -0.01589 19 5YZ -0.09773 0.13382 0.00008 0.10699 -0.09882 20 2 O 1S 0.00317 -0.00062 -0.00822 0.00528 0.00887 21 2S 0.15966 0.05165 0.00046 0.20111 0.02183 22 2PX -0.16876 0.11784 0.43560 0.29763 0.32274 23 2PY -0.21931 -0.00384 -0.27882 -0.03158 -0.14000 24 2PZ -0.35087 0.10045 0.04015 0.46168 -0.50878 25 3S -0.26607 -0.04944 0.14622 -0.39641 -0.23211 26 3PX 0.20659 -0.20263 -0.64702 -0.43650 -0.44269 27 3PY 0.31891 0.02332 0.28096 0.02882 0.26450 28 3PZ 0.45606 -0.13819 0.01910 -0.71846 0.69640 29 4XX 0.03390 -0.01699 -0.02067 0.03152 0.02772 30 4YY 0.09082 0.02016 0.00448 0.03846 0.05349 31 4ZZ 0.00697 0.02685 -0.02620 0.09142 -0.02658 32 4XY 0.06479 -0.00076 -0.05470 -0.03068 -0.02711 33 4XZ -0.02212 0.01070 0.03598 0.00341 0.04533 34 4YZ 0.01818 -0.00002 0.01217 -0.04936 0.03908 35 3 O 1S -0.00368 0.01129 0.01133 -0.01180 -0.00046 36 2S -0.25429 0.27755 0.08951 -0.32797 0.08627 37 2PX -0.20434 -0.13647 -0.23385 -0.05219 -0.01759 38 2PY 0.07997 -0.24665 0.03907 0.01508 -0.06924 39 2PZ 0.11969 -0.40970 0.04204 0.18514 -0.11421 40 3S 0.37027 -0.95693 -0.36775 0.67549 -0.07819 41 3PX 0.49154 0.41526 0.43989 0.31515 -0.08022 42 3PY -0.15423 0.39220 -0.02928 0.05285 0.08616 43 3PZ -0.20907 0.39989 -0.15450 -0.35047 0.24507 44 4XX -0.11090 0.09817 0.00703 -0.15404 0.04012 45 4YY -0.08195 0.09678 0.03359 -0.13692 0.01380 46 4ZZ -0.04991 0.05913 0.05267 -0.02137 0.01699 47 4XY -0.02858 -0.02265 0.05198 -0.00208 0.00458 48 4XZ -0.04975 -0.00219 -0.02509 -0.01725 -0.00944 49 4YZ 0.01650 -0.02716 0.04282 -0.00498 -0.05181 50 4 C 1S -0.01475 0.00213 0.00203 -0.02302 -0.01529 51 2S -0.34432 -0.10344 0.43387 -0.68518 -0.45303 52 2PX -0.01228 -0.05067 0.07189 -0.08299 -0.05341 53 2PY -0.10995 -0.01785 0.04047 -0.03088 0.05963 54 2PZ 0.08732 -0.00735 0.20144 -0.07210 -0.12851 55 3S 0.66806 0.88799 -2.31041 2.04236 1.75408 56 3PX -0.11608 -0.32241 -0.81849 0.36620 0.26868 57 3PY -0.10687 -0.36121 -0.52862 -0.41447 -0.15923 58 3PZ -0.42937 0.29210 -1.17525 1.17438 0.88292 59 4XX 0.01541 0.00543 0.00776 0.02937 -0.00854 60 4YY -0.03016 -0.07211 0.02844 -0.08879 -0.07615 61 4ZZ -0.03728 0.06151 -0.00952 -0.03778 0.02391 62 4XY -0.00089 0.03826 0.01314 0.01373 -0.00141 63 4XZ -0.01020 -0.00840 -0.04724 0.00680 -0.00784 64 4YZ 0.03315 0.04891 -0.03058 0.05785 0.02148 65 5 C 1S -0.01354 -0.00111 0.00313 -0.03301 0.00855 66 2S -0.31857 -0.06218 0.01529 -0.51702 0.18665 67 2PX -0.09308 -0.35725 -0.08402 0.10298 0.11321 68 2PY -0.19551 -0.20248 0.06835 -0.04436 0.07634 69 2PZ -0.19064 -0.08654 -0.02273 -0.01739 0.17696 70 3S 1.08673 -0.02225 0.90598 2.20570 -0.23270 71 3PX 0.10811 1.49281 0.50374 -0.11134 -0.21288 72 3PY 1.25988 0.56863 0.67403 0.64778 -0.24082 73 3PZ 0.37305 0.19080 0.26894 0.62884 -0.16891 74 4XX 0.05402 0.00776 0.05601 0.04693 0.01989 75 4YY -0.00613 0.06680 0.00493 -0.01754 0.01751 76 4ZZ -0.04533 -0.05282 0.02041 -0.08071 -0.03279 77 4XY 0.05120 0.05695 -0.02856 0.00903 -0.02829 78 4XZ 0.02222 0.05750 0.04690 0.02425 -0.00215 79 4YZ 0.04211 -0.03218 0.04403 0.01030 -0.05350 80 6 C 1S -0.00286 0.00251 0.01550 0.01510 0.00017 81 2S -0.08494 -0.06411 0.47424 0.20329 -0.12851 82 2PX -0.15249 0.00008 -0.02407 0.04073 0.14518 83 2PY -0.16008 0.17794 -0.06018 -0.06540 -0.08591 84 2PZ -0.05923 -0.01120 0.07332 0.03460 0.12456 85 3S -0.25854 -0.31697 -2.66724 -1.31604 0.80913 86 3PX -0.31981 -0.66152 -1.27287 -1.34631 -0.85765 87 3PY 1.25284 -0.88714 0.17556 0.43353 -0.12993 88 3PZ 0.31432 -0.29845 -1.07121 -0.93816 -0.91725 89 4XX -0.02772 0.07539 -0.06242 -0.01662 -0.00290 90 4YY -0.00976 -0.07120 0.02723 0.01538 -0.02267 91 4ZZ 0.02432 -0.01340 0.07223 0.01947 0.01688 92 4XY 0.03206 -0.02210 -0.05060 0.00750 -0.02973 93 4XZ 0.01146 -0.05382 0.00272 0.03742 -0.01306 94 4YZ -0.01287 0.03746 0.01536 0.01786 0.00662 95 7 C 1S 0.00142 -0.01180 -0.00818 0.00096 -0.01632 96 2S 0.11332 -0.21473 -0.09359 0.33026 -0.30470 97 2PX -0.21161 0.07629 -0.00103 -0.02700 0.10552 98 2PY 0.03501 0.12457 0.22113 0.07295 -0.06435 99 2PZ -0.04794 0.15331 0.08796 -0.07704 -0.18818 100 3S -0.75186 0.17499 0.62926 -0.47500 2.40622 101 3PX 0.80411 -0.90070 -0.20706 -0.12316 0.09639 102 3PY -0.03018 -0.00851 -2.19331 -1.25944 -0.06059 103 3PZ 0.43802 -0.96641 -1.15817 -0.50910 0.32292 104 4XX 0.01204 0.03922 -0.00799 -0.01027 -0.02739 105 4YY 0.00675 -0.05694 0.04845 0.03385 0.02316 106 4ZZ -0.00020 -0.00353 -0.06706 0.01139 -0.03333 107 4XY -0.01176 0.01531 0.05140 0.02131 -0.00212 108 4XZ 0.00423 -0.06218 0.01652 0.03150 -0.00704 109 4YZ 0.00259 0.05679 -0.01780 0.03176 -0.01382 110 8 C 1S -0.02217 -0.00804 -0.00913 0.00388 0.01192 111 2S -0.12693 -0.06311 0.08219 -0.28391 0.24229 112 2PX 0.07941 0.12533 0.19564 0.02249 0.03891 113 2PY 0.18589 0.12163 -0.01960 0.03487 0.17143 114 2PZ 0.11340 0.07895 0.12048 0.07142 -0.15342 115 3S 0.41849 0.88171 -0.60677 0.17089 -0.96662 116 3PX 0.09161 -0.83339 -0.01381 -0.06745 0.33580 117 3PY -0.81166 -0.08876 0.66373 0.17107 -0.70182 118 3PZ -0.28286 -0.46810 -0.19508 -0.03664 0.36795 119 4XX -0.03160 -0.05737 0.03649 0.00913 0.02044 120 4YY 0.00281 0.01776 -0.07138 -0.01314 0.00577 121 4ZZ -0.00470 0.06041 0.01842 0.00119 0.00038 122 4XY -0.00332 0.01476 0.02117 0.04676 0.01810 123 4XZ 0.03343 0.02791 -0.03080 0.00162 -0.01068 124 4YZ 0.01733 0.01706 -0.02855 0.04612 0.01579 125 9 C 1S -0.00176 0.00893 -0.02615 0.01553 0.01177 126 2S 0.03839 0.44281 -0.90877 0.52601 0.51579 127 2PX -0.04888 -0.06402 0.05599 -0.03204 -0.05541 128 2PY -0.06385 -0.10132 0.12502 -0.19895 -0.02886 129 2PZ 0.07138 -0.04594 0.03001 -0.02160 -0.00246 130 3S -0.42234 -1.11737 3.77317 -2.12075 -2.08365 131 3PX -0.00971 0.49651 -0.15807 0.41812 0.16334 132 3PY -0.29409 0.22415 -0.73084 1.15612 0.71859 133 3PZ 0.27602 0.51598 -0.48229 0.15286 -0.33481 134 4XX 0.02017 0.00337 0.00373 -0.01515 0.00421 135 4YY -0.01735 0.02054 -0.00334 0.01354 0.00286 136 4ZZ 0.00935 0.03041 -0.09521 0.07000 0.04241 137 4XY 0.00433 0.02508 -0.04023 -0.04492 -0.01770 138 4XZ -0.00728 -0.00287 0.04539 0.00590 0.02037 139 4YZ 0.00246 0.00554 0.07006 -0.04218 -0.05771 140 10 H 1S -0.18912 -0.31376 0.03813 -0.30341 -0.15070 141 2S -0.05213 -0.15548 0.04486 -0.42199 -0.33758 142 11 H 1S 0.07839 0.02690 0.07019 0.03456 0.03601 143 2S 0.26630 0.60438 0.07754 0.01157 -0.04955 144 12 H 1S -0.17144 0.04273 -0.09709 0.04696 0.11146 145 2S 0.40309 0.23913 0.26037 -0.35891 0.07409 146 13 H 1S -0.16934 -0.15894 -0.21044 0.15891 0.35072 147 2S -0.01014 0.06226 -0.39947 0.32506 0.39731 148 14 C 1S 0.00034 0.00455 -0.00299 0.00428 0.00610 149 2S 0.04221 -0.09365 -0.50391 -0.06255 0.27232 150 2PX -0.19297 0.05547 -0.09890 -0.07952 0.04163 151 2PY -0.01748 0.16844 -0.01521 -0.11231 -0.12856 152 2PZ -0.14174 0.07662 -0.06250 -0.09065 -0.03734 153 3S -0.57801 -0.04872 0.42944 -0.81310 -1.48214 154 3PX 0.28846 -0.17340 -0.05933 -0.33423 -0.55765 155 3PY -0.25738 -0.33339 0.01253 0.63562 0.73445 156 3PZ 0.12757 -0.47769 0.10216 0.22305 0.13771 157 4XX 0.03058 -0.03796 0.01892 -0.00036 -0.01458 158 4YY -0.02925 -0.00538 -0.04448 -0.00748 0.00967 159 4ZZ 0.00291 0.03024 -0.03688 -0.00278 0.04022 160 4XY 0.00533 -0.05288 -0.00062 0.03619 0.03787 161 4XZ -0.00948 0.00984 -0.02765 0.01010 -0.01169 162 4YZ -0.01658 0.00640 0.02017 0.03309 0.04815 163 15 H 1S -0.11167 0.17811 0.06785 -0.15315 -0.09489 164 2S 0.49141 -0.01207 -0.29788 -0.23663 -0.20400 165 16 H 1S -0.05581 -0.03206 -0.03491 0.14546 0.14640 166 2S 0.23415 -0.40739 -0.11855 0.20553 0.29240 167 17 C 1S 0.00590 -0.00019 -0.00396 -0.00463 0.00589 168 2S -0.68401 -0.21846 0.14141 -0.15845 0.66346 169 2PX -0.04536 0.05473 0.02576 -0.12274 -0.01831 170 2PY -0.15474 0.16921 -0.02320 0.01010 -0.04495 171 2PZ -0.08869 0.13693 -0.06886 -0.07409 -0.08517 172 3S 1.75572 0.13720 1.20737 1.33990 -1.79592 173 3PX 0.05067 0.22575 0.36382 0.59830 0.14519 174 3PY 0.28628 -0.32883 -0.56713 -0.42866 0.32919 175 3PZ 0.19074 0.02365 0.29896 0.29387 0.25317 176 4XX -0.02383 -0.00219 0.00932 -0.00613 0.01908 177 4YY -0.03062 0.00372 0.02469 0.01754 0.00599 178 4ZZ -0.03632 -0.02512 -0.02718 -0.03653 0.03441 179 4XY -0.01940 0.00433 -0.05236 -0.04749 -0.01716 180 4XZ 0.04204 -0.02688 -0.02853 -0.01219 0.01164 181 4YZ -0.00116 -0.04171 0.04016 -0.01744 -0.00317 182 18 H 1S 0.09860 -0.10783 -0.08914 -0.15621 -0.05457 183 2S -0.72216 0.15697 -0.10327 -0.21043 0.21668 184 19 H 1S 0.27746 0.05628 -0.00359 0.05974 0.09000 185 2S -0.72139 0.13481 0.28441 0.13959 0.37872 111 112 113 114 115 V V V V V Eigenvalues -- 1.11320 1.14346 1.15969 1.17624 1.19408 1 1 S 1S 0.00432 -0.01292 -0.00450 -0.00706 0.00604 2 2S -0.00089 0.03134 0.01400 0.01851 0.04167 3 2PX -0.00659 -0.02016 -0.01101 -0.00764 0.02217 4 2PY -0.01042 0.03158 0.00242 0.00793 0.02452 5 2PZ 0.01253 0.00402 -0.00262 -0.02232 -0.00629 6 3S 0.13899 -0.29796 -0.09650 -0.17951 0.28751 7 3PX 0.03110 0.13540 0.03110 0.03359 -0.09390 8 3PY 0.01186 -0.06316 -0.05903 0.01542 0.01486 9 3PZ -0.07621 -0.10492 0.03569 0.12413 0.01756 10 4S -0.35697 0.17730 -0.17852 0.26253 -0.43951 11 4PX 0.45939 -0.21622 -0.20929 -0.45580 0.10877 12 4PY 0.17571 -0.40737 -0.26009 -0.69405 -0.04031 13 4PZ -0.04480 -0.21847 -0.07668 0.15499 0.15793 14 5XX -0.20219 0.25738 0.15545 0.14442 0.38942 15 5YY 0.29365 -0.38897 -0.13717 -0.12220 -0.22929 16 5ZZ -0.13714 0.21340 0.01540 0.06880 -0.08002 17 5XY -0.09744 -0.01324 -0.03948 0.05091 0.02602 18 5XZ -0.08581 0.09165 0.10839 -0.06000 -0.03313 19 5YZ -0.00054 0.43700 0.15970 0.29623 0.12181 20 2 O 1S 0.01531 -0.03335 -0.02113 -0.03037 -0.01272 21 2S 0.07657 -0.06183 -0.29651 -0.16635 0.18664 22 2PX 0.24495 0.08243 -0.09260 -0.31630 -0.07274 23 2PY 0.02267 -0.54556 -0.02723 -0.25351 -0.34725 24 2PZ -0.21921 0.05835 0.00868 -0.01545 0.18563 25 3S -0.29367 0.51401 0.78804 0.77173 -0.06569 26 3PX -0.35891 -0.11265 0.16809 0.46039 0.07182 27 3PY 0.11635 0.34752 -0.20249 0.06735 0.29894 28 3PZ 0.15251 0.15411 0.11266 0.14174 -0.21516 29 4XX -0.00318 -0.05887 -0.04713 -0.06255 0.02883 30 4YY 0.03816 -0.06671 -0.13944 -0.10079 0.03382 31 4ZZ 0.07281 -0.02412 -0.07825 -0.05994 0.02567 32 4XY 0.01401 -0.01287 0.01541 0.01592 0.00379 33 4XZ -0.00076 0.01298 -0.02558 0.01439 0.00713 34 4YZ -0.03349 0.04341 0.01282 0.01081 -0.02693 35 3 O 1S -0.00317 0.01443 0.01793 0.01553 0.00608 36 2S 0.02861 0.00760 0.25525 0.12998 -0.11105 37 2PX 0.20661 0.22089 -0.04330 0.12188 -0.23584 38 2PY -0.43782 0.00338 0.05830 -0.41589 -0.16538 39 2PZ 0.35071 -0.16225 0.01547 0.07700 0.05572 40 3S -0.03900 0.05247 -0.68812 -0.65693 0.03021 41 3PX -0.16912 -0.65853 0.15631 -0.27377 0.45475 42 3PY 0.76550 -0.16270 -0.25400 0.69483 0.23267 43 3PZ -0.52574 0.27133 0.02734 -0.26193 -0.23907 44 4XX -0.01832 0.04820 0.12476 0.03324 -0.03114 45 4YY -0.06407 0.09147 0.08081 0.04345 -0.03286 46 4ZZ 0.08239 -0.03706 0.04419 0.07145 -0.00434 47 4XY 0.03414 0.06596 0.01906 0.04227 -0.03713 48 4XZ 0.00636 0.04022 0.01763 0.00909 -0.07847 49 4YZ -0.04159 0.03243 0.07788 -0.01864 0.03563 50 4 C 1S 0.00104 0.00292 -0.00992 0.01494 -0.01026 51 2S 0.07144 -0.11877 -0.20162 0.37642 -0.19093 52 2PX -0.03879 0.02530 0.09123 -0.08866 -0.05857 53 2PY -0.04698 -0.10677 0.04292 0.04764 -0.01119 54 2PZ 0.08843 0.00501 -0.07321 -0.02080 -0.01216 55 3S -0.81274 1.35410 0.48686 -2.05858 -0.06109 56 3PX 0.07782 0.59761 -0.36736 -0.08939 -0.30652 57 3PY -0.21503 1.46596 -1.38063 -0.93774 -0.43841 58 3PZ 0.26699 -0.11373 0.36355 0.90675 -0.32800 59 4XX -0.00355 0.02302 -0.00034 -0.02128 0.00202 60 4YY 0.04195 0.04823 -0.05207 -0.01323 -0.03678 61 4ZZ -0.02826 -0.04492 0.03338 0.05179 -0.00558 62 4XY -0.02146 0.02411 -0.06204 0.02265 -0.04720 63 4XZ -0.02574 0.02252 0.00235 -0.04148 -0.01252 64 4YZ 0.00939 -0.01615 0.01543 -0.00065 0.03317 65 5 C 1S -0.01044 0.00167 -0.00767 -0.00475 0.01391 66 2S -0.21388 -0.15343 0.17006 -0.08039 0.46447 67 2PX -0.06495 0.05921 -0.01470 -0.01889 -0.12719 68 2PY -0.02668 -0.04085 -0.13001 0.16244 -0.04911 69 2PZ -0.09728 -0.03336 0.14933 0.14852 -0.11062 70 3S 0.26143 -1.59281 0.83853 1.75902 -0.75100 71 3PX 0.54288 -0.78607 -0.49589 0.42143 0.98529 72 3PY -0.70774 -0.72487 0.62469 -0.71260 0.64560 73 3PZ 0.35035 -0.60249 -0.68632 0.62124 0.55583 74 4XX 0.00833 -0.05200 -0.03602 0.00422 0.04361 75 4YY -0.02350 -0.07861 0.05883 0.06324 0.02684 76 4ZZ -0.00419 0.02834 0.02724 -0.04002 -0.00641 77 4XY 0.01949 -0.03359 -0.00569 -0.03201 0.07085 78 4XZ 0.00638 -0.05011 -0.04014 0.05082 0.00275 79 4YZ 0.03550 0.03747 -0.00117 -0.06494 0.01447 80 6 C 1S -0.00785 0.00262 0.02179 0.00477 -0.03322 81 2S 0.04670 0.02008 0.88792 -0.03972 -0.73972 82 2PX 0.02916 -0.13739 -0.30678 0.25740 0.06265 83 2PY 0.13900 0.08661 0.01419 0.00811 -0.13243 84 2PZ -0.03493 -0.03028 -0.14806 0.06157 -0.04013 85 3S 1.29332 0.52072 -3.03312 -0.18388 3.00095 86 3PX 1.34083 2.26585 2.64848 -3.01850 -0.48445 87 3PY -0.39017 -0.64399 0.76647 -0.17968 0.86479 88 3PZ 1.01408 0.88087 2.48021 -1.97136 0.42885 89 4XX 0.02441 0.01470 -0.00718 0.01732 -0.02363 90 4YY 0.03108 0.03873 0.04705 -0.00072 -0.05764 91 4ZZ -0.02528 -0.03878 0.01986 -0.00136 0.00713 92 4XY 0.03360 0.03829 0.00144 -0.03253 0.02003 93 4XZ 0.03525 0.04324 0.01440 -0.04907 -0.03018 94 4YZ 0.02784 -0.02004 0.04928 0.06574 -0.04808 95 7 C 1S 0.01620 0.01112 -0.00166 0.00120 0.00439 96 2S 0.25419 0.36004 -0.21091 0.28222 -0.07888 97 2PX 0.10279 0.12429 -0.10107 -0.09341 0.11295 98 2PY -0.24273 -0.08000 -0.07559 0.27254 -0.28128 99 2PZ -0.08618 -0.18231 -0.08249 0.16741 0.03353 100 3S -0.80510 -1.31391 0.23533 -0.49947 0.21595 101 3PX -0.53105 -0.86740 1.05196 0.63290 0.29975 102 3PY 3.13144 1.95503 1.74972 -4.06882 1.29059 103 3PZ 1.00379 0.94850 1.43594 -1.77115 0.53981 104 4XX -0.00429 0.02373 -0.05591 -0.02522 -0.03837 105 4YY 0.01546 -0.04974 0.01204 0.03543 0.03543 106 4ZZ 0.03363 0.04643 0.03208 0.00992 -0.00354 107 4XY -0.02477 -0.07415 0.00169 0.07604 0.01030 108 4XZ 0.05359 -0.00213 0.04586 0.05893 0.04595 109 4YZ 0.02112 0.08812 -0.03602 -0.08138 -0.08379 110 8 C 1S -0.01456 -0.00610 0.00432 0.01938 0.01314 111 2S -0.25990 -0.26310 -0.15344 0.26238 -0.03879 112 2PX -0.02084 -0.23997 0.07655 0.16773 -0.08507 113 2PY 0.04032 -0.00042 0.12049 0.12645 -0.22973 114 2PZ 0.05611 0.12567 0.01137 0.04223 -0.18279 115 3S 1.08872 2.07331 -1.09989 -2.25369 -0.03192 116 3PX -0.65218 -0.26976 0.34520 0.30686 0.44545 117 3PY -0.25479 -0.53970 -0.33377 0.67976 0.84071 118 3PZ -1.04684 -0.77494 0.08792 0.67382 0.63290 119 4XX -0.03140 -0.04174 0.03355 0.09543 0.05276 120 4YY 0.01806 0.01403 -0.00285 -0.05023 0.02397 121 4ZZ -0.02356 0.04865 -0.07001 -0.01157 -0.05155 122 4XY -0.09048 -0.04068 -0.03104 0.01044 -0.04456 123 4XZ 0.05532 0.02205 -0.03550 -0.06601 -0.06373 124 4YZ 0.10469 0.00733 0.07252 0.00332 -0.00926 125 9 C 1S -0.02029 0.01271 0.00374 0.00009 -0.00696 126 2S -0.53670 0.35275 -0.01158 -0.14902 0.00610 127 2PX -0.06198 -0.02824 -0.00222 0.13410 -0.08105 128 2PY -0.11770 0.02888 -0.10992 -0.02578 0.01754 129 2PZ 0.16351 0.02266 0.15346 0.06418 -0.06830 130 3S 0.85894 -2.11720 0.13567 1.09372 0.88300 131 3PX 0.07413 0.14394 -0.27392 -0.26013 -0.10585 132 3PY 0.35694 -0.48164 0.96472 0.76074 0.10212 133 3PZ -0.09947 1.31324 -1.45666 -1.31067 -0.59883 134 4XX 0.02959 0.01119 0.02735 0.00540 0.01376 135 4YY -0.12844 -0.00795 -0.06511 -0.01569 0.00428 136 4ZZ 0.02957 0.03336 0.06190 0.02087 -0.01580 137 4XY 0.04140 0.03982 -0.00787 -0.04011 0.02156 138 4XZ -0.07060 -0.08425 0.01413 0.04837 -0.00833 139 4YZ 0.00484 0.01938 -0.05373 -0.00963 -0.02057 140 10 H 1S -0.02342 0.24661 -0.44519 -0.08458 -0.09533 141 2S 0.02001 0.46150 -0.59055 -0.14299 -0.16071 142 11 H 1S -0.01518 -0.11671 -0.13940 -0.11451 0.35380 143 2S -0.07848 -0.27179 -0.15497 -0.11856 0.59733 144 12 H 1S 0.19933 0.06530 -0.06202 -0.09387 -0.15754 145 2S 0.24319 0.13106 0.20619 0.07759 -0.52523 146 13 H 1S -0.10699 -0.24564 0.39710 0.27860 0.14768 147 2S -0.01936 -0.18232 0.66798 0.41695 0.11121 148 14 C 1S -0.00545 -0.00573 -0.02934 0.00997 0.01141 149 2S -0.08796 -0.00006 -0.92540 0.13216 0.36881 150 2PX -0.01350 0.04103 -0.01657 -0.06123 0.03824 151 2PY 0.12499 -0.04436 0.03108 -0.02091 0.16935 152 2PZ 0.06509 0.05069 -0.05054 -0.08093 0.10076 153 3S 1.06419 1.67122 4.93243 -2.71732 -1.75790 154 3PX 0.47329 0.50450 1.50544 -0.87429 -0.40703 155 3PY -0.54553 0.20304 -0.98386 0.74678 -1.08918 156 3PZ -0.13951 0.46790 0.44060 -0.19322 -0.96674 157 4XX -0.01942 0.02346 0.03245 -0.07075 -0.00341 158 4YY 0.01690 -0.01962 -0.09603 0.04711 0.05124 159 4ZZ -0.01853 -0.00894 -0.04423 0.03818 -0.00353 160 4XY -0.02711 0.02383 -0.05040 0.01896 -0.05823 161 4XZ 0.00161 0.03318 0.01931 0.00501 -0.06882 162 4YZ -0.04284 -0.01079 -0.07795 0.02642 -0.01296 163 15 H 1S 0.07386 -0.15603 0.06143 -0.04501 0.32604 164 2S 0.20264 -0.06970 -0.08099 -0.16818 0.54952 165 16 H 1S -0.12198 0.05888 -0.24157 0.15334 -0.17085 166 2S -0.14191 0.09474 -0.44841 0.22906 -0.34397 167 17 C 1S 0.00887 0.00133 0.00825 -0.02558 0.01148 168 2S 0.05375 -0.04257 0.16022 -0.58020 0.46984 169 2PX 0.07345 0.05910 -0.00497 -0.09865 0.11155 170 2PY 0.12856 0.10204 0.01621 -0.10181 -0.08669 171 2PZ 0.07928 -0.02539 0.04168 -0.01233 0.10092 172 3S -2.29102 -1.13697 -1.64018 4.43541 -1.84762 173 3PX -0.64351 -0.09680 -0.94652 0.74160 -0.69696 174 3PY 0.78785 0.45200 0.60678 -1.49658 0.61219 175 3PZ -0.26411 -0.10150 -0.55469 0.17703 -0.28006 176 4XX 0.01069 -0.03145 -0.00964 -0.02247 0.04525 177 4YY -0.03529 0.04142 -0.02774 -0.01934 -0.05010 178 4ZZ 0.01248 -0.03429 0.04913 -0.01420 0.07603 179 4XY 0.04466 0.05588 0.03300 -0.09360 0.00160 180 4XZ 0.03688 0.04545 0.02354 -0.09568 0.03902 181 4YZ 0.01511 -0.06345 0.05924 0.04981 0.07275 182 18 H 1S 0.16446 0.03564 0.29260 -0.16877 0.06172 183 2S 0.21361 0.03836 0.25748 -0.38979 0.36077 184 19 H 1S -0.07471 0.02779 -0.20607 0.01867 -0.12316 185 2S -0.20590 -0.12356 -0.26003 0.07186 -0.08824 116 117 118 119 120 V V V V V Eigenvalues -- 1.19703 1.23451 1.30654 1.32643 1.33771 1 1 S 1S -0.00201 0.00661 -0.00585 0.00385 0.00325 2 2S -0.02006 0.06026 -0.01117 -0.00472 0.01380 3 2PX 0.00403 -0.02067 -0.01166 0.01368 0.00471 4 2PY -0.00243 0.00008 -0.00089 -0.00347 0.00826 5 2PZ -0.00674 0.02204 0.02605 -0.00733 0.00485 6 3S -0.11067 0.37301 -0.20859 0.09575 0.12853 7 3PX 0.01334 0.05421 0.04325 -0.05277 -0.05159 8 3PY 0.03787 0.05935 -0.02145 0.06211 0.03980 9 3PZ 0.08038 -0.08468 -0.13017 0.04589 -0.04521 10 4S 0.48666 -0.89878 0.70713 0.25906 0.09895 11 4PX -0.19208 0.54692 -0.28668 0.06252 -0.06108 12 4PY 0.09453 0.02168 -0.09981 0.43221 -0.30633 13 4PZ -0.15277 -0.60654 -0.36674 -0.12706 -0.08994 14 5XX 0.07455 -0.08162 -0.06114 0.06157 -0.03366 15 5YY 0.06040 0.11254 0.11985 -0.02131 0.10283 16 5ZZ -0.17883 0.03001 -0.04299 -0.02798 -0.01887 17 5XY 0.08051 0.03343 0.00798 -0.08703 0.16836 18 5XZ -0.11859 0.26630 0.05144 -0.04506 0.01463 19 5YZ -0.23800 -0.05162 -0.05199 -0.04421 -0.04163 20 2 O 1S 0.01404 0.01322 0.01273 0.02046 0.00526 21 2S 0.08743 0.22548 0.07351 0.34531 0.20267 22 2PX 0.12330 0.02931 0.04592 0.07543 -0.19767 23 2PY 0.03861 -0.07818 0.03254 -0.03895 -0.08993 24 2PZ -0.13539 0.03874 -0.10775 0.01903 0.01311 25 3S -0.39656 -0.46780 -0.36598 -0.93154 -0.31782 26 3PX -0.17370 -0.08005 -0.03188 -0.09807 0.28261 27 3PY 0.12078 0.26628 0.12413 0.19077 0.25292 28 3PZ 0.14512 -0.05192 0.16052 -0.09963 -0.04402 29 4XX 0.00532 0.03864 -0.00999 0.09008 0.04603 30 4YY 0.07181 0.10329 0.06281 0.12594 0.08858 31 4ZZ 0.01876 0.05256 0.03238 0.08983 -0.00870 32 4XY -0.02579 0.00438 0.00462 0.01847 -0.01665 33 4XZ 0.05504 -0.05651 0.01732 0.01619 -0.01590 34 4YZ 0.02474 -0.03543 0.02535 -0.01268 -0.04373 35 3 O 1S -0.00601 -0.00644 0.00251 -0.02660 0.01289 36 2S -0.10788 -0.21279 0.01655 -0.32153 0.10042 37 2PX -0.04179 0.15525 0.32667 -0.02035 0.08801 38 2PY -0.13572 0.04644 0.07013 0.09293 -0.18339 39 2PZ -0.19712 -0.15655 -0.04026 -0.09696 0.12157 40 3S 0.24025 0.24074 -0.25279 0.98029 -0.33805 41 3PX 0.00382 -0.22716 -0.71057 -0.07739 -0.29979 42 3PY 0.18332 -0.05922 -0.28038 -0.22748 0.27921 43 3PZ 0.34580 0.22246 0.03801 0.36884 -0.31339 44 4XX -0.05725 -0.12713 -0.08701 -0.11298 -0.05301 45 4YY 0.00592 -0.01755 0.04842 -0.05204 -0.01266 46 4ZZ -0.03066 -0.01945 0.07295 -0.14645 0.18614 47 4XY -0.08334 -0.02772 0.04699 -0.09197 0.16469 48 4XZ -0.01975 0.05451 0.09967 -0.01452 -0.00793 49 4YZ -0.05958 0.05635 0.02533 0.01963 -0.10092 50 4 C 1S 0.00050 0.02971 -0.00658 0.01043 -0.03121 51 2S -0.18966 0.45885 -0.18236 0.19255 -0.47144 52 2PX 0.00125 -0.05564 -0.03321 0.02689 -0.03783 53 2PY -0.10220 -0.03546 -0.04800 -0.01604 -0.04469 54 2PZ -0.07205 0.03711 -0.01012 -0.06233 0.01168 55 3S 0.44521 -2.80935 -0.14519 -0.77067 1.57624 56 3PX 0.01696 -0.21988 -0.05771 -0.13329 -0.00215 57 3PY 0.75937 -0.93402 -0.14795 -0.33992 0.88568 58 3PZ -0.39288 0.39110 -0.08014 -0.02679 -0.66602 59 4XX -0.02953 0.00085 0.07214 0.04672 0.05434 60 4YY 0.02981 0.00388 -0.02735 -0.03887 -0.03230 61 4ZZ -0.00902 0.04062 -0.07240 0.04082 -0.06661 62 4XY -0.04090 0.08727 0.08897 -0.02790 0.02322 63 4XZ -0.00701 -0.03322 0.03819 -0.06403 -0.09337 64 4YZ 0.01713 -0.04104 -0.01070 -0.00913 0.04926 65 5 C 1S 0.02329 -0.05753 -0.03416 0.01440 0.02612 66 2S 0.37290 -0.94766 -0.31220 0.17932 0.37340 67 2PX -0.06701 -0.05000 -0.17581 0.02976 -0.09065 68 2PY -0.08549 -0.05155 0.03604 -0.12530 0.06635 69 2PZ -0.09648 0.04927 -0.04080 0.12915 -0.06670 70 3S -2.39410 2.81658 2.18158 -0.91328 -1.78121 71 3PX 0.38944 0.15260 -0.69902 -0.42594 0.47892 72 3PY -0.33072 0.10810 0.87872 -0.19309 0.28347 73 3PZ -0.23122 0.83244 0.28883 -0.41176 0.00520 74 4XX 0.01380 -0.05155 -0.10809 -0.00091 0.14792 75 4YY 0.00734 -0.01077 0.06206 0.06656 -0.09363 76 4ZZ -0.00923 -0.04866 -0.00442 -0.06785 -0.01681 77 4XY 0.00004 0.03176 -0.06460 0.01106 -0.15196 78 4XZ 0.00896 0.12282 -0.00163 0.04747 0.06356 79 4YZ -0.02529 -0.06613 0.11487 -0.07567 0.15247 80 6 C 1S -0.00414 -0.00099 0.02988 0.01335 0.04178 81 2S 0.14999 -0.15091 0.22572 0.22268 0.69419 82 2PX -0.16384 0.10319 -0.00964 -0.07398 -0.04756 83 2PY 0.25550 0.15538 -0.37363 -0.01838 0.07742 84 2PZ -0.03436 0.08423 -0.25649 -0.07744 0.06087 85 3S -0.22801 0.51732 -2.42631 -1.82197 -3.27534 86 3PX 1.30651 -1.57991 -0.53798 1.59303 -0.39595 87 3PY -1.26344 -0.14606 2.41456 -0.98332 -1.36988 88 3PZ 0.19217 -0.97501 1.05764 0.64220 -1.12673 89 4XX -0.04417 0.11167 -0.02414 0.24913 0.04297 90 4YY 0.02444 -0.08871 0.03592 0.07194 0.18295 91 4ZZ 0.02401 -0.03896 0.00480 -0.33475 -0.17386 92 4XY 0.01305 0.05238 -0.10278 0.14049 0.03916 93 4XZ 0.00232 -0.01262 0.03655 -0.11543 0.02015 94 4YZ 0.03613 0.05840 -0.00014 0.09442 -0.05910 95 7 C 1S 0.03357 -0.01644 0.03588 0.00925 -0.04921 96 2S 1.05123 -0.54540 0.37354 0.15222 -0.85961 97 2PX -0.06926 -0.22243 0.30992 0.23669 -0.08614 98 2PY 0.16286 -0.05356 0.09375 -0.07707 -0.03652 99 2PZ -0.10951 -0.08076 0.21011 0.18681 0.07054 100 3S -3.36445 2.51781 -2.72753 -0.27354 4.13961 101 3PX 0.54231 0.87665 -1.22512 -1.78351 -0.42902 102 3PY -1.80874 -0.09248 -1.03961 0.79982 -0.83132 103 3PZ -0.04379 0.26991 -1.37269 -1.09664 -0.99257 104 4XX 0.03846 -0.10510 0.05376 -0.17170 -0.02754 105 4YY 0.00228 0.05627 0.05416 -0.07368 -0.12624 106 4ZZ 0.03326 0.01230 -0.08919 0.26363 0.12968 107 4XY 0.00444 0.04693 -0.03664 -0.15992 -0.07069 108 4XZ 0.10941 -0.00035 0.06837 0.07657 -0.15555 109 4YZ 0.00237 0.00661 -0.02758 -0.02880 0.10945 110 8 C 1S -0.00221 -0.06306 -0.04211 0.02061 -0.00276 111 2S -0.05266 -0.91069 -0.57858 0.48109 0.06102 112 2PX -0.01396 0.07444 -0.05016 -0.06597 -0.02572 113 2PY -0.20071 -0.13892 0.02075 0.06631 -0.18700 114 2PZ -0.25660 -0.06514 -0.11335 -0.10900 0.00135 115 3S 0.68354 1.21698 2.86621 -0.47028 0.01691 116 3PX 0.49417 0.78745 -0.07071 -0.15623 0.53085 117 3PY 0.91041 0.36183 0.69657 0.93403 0.26900 118 3PZ 1.36814 0.43500 0.83115 -0.11947 0.59220 119 4XX 0.06413 0.00154 0.06621 0.24839 -0.01114 120 4YY 0.01570 -0.03904 -0.08931 -0.06821 -0.05921 121 4ZZ -0.06507 -0.14758 -0.04777 -0.11440 0.05665 122 4XY -0.01974 0.04133 0.00906 -0.03108 0.14542 123 4XZ -0.03871 -0.07628 0.03905 -0.01051 -0.05894 124 4YZ -0.08955 -0.00269 -0.10702 0.06328 -0.14698 125 9 C 1S 0.01017 -0.00218 0.01020 -0.03393 0.01833 126 2S 0.29230 -0.23378 0.20340 -0.54858 0.37962 127 2PX 0.06532 -0.04606 0.01353 0.01924 0.04691 128 2PY 0.07438 -0.02787 0.01918 -0.02671 0.03482 129 2PZ -0.10990 0.07501 -0.00618 0.02879 -0.06801 130 3S -0.53784 1.18581 -0.62614 2.11385 -0.99752 131 3PX -0.14071 -0.33692 -0.27497 -0.01787 -0.01661 132 3PY -0.60240 -0.20045 -0.52676 0.70616 -0.53407 133 3PZ -0.08019 -1.07768 -0.32312 -0.93014 0.50828 134 4XX 0.01217 -0.03866 -0.10904 0.09342 -0.01152 135 4YY 0.06983 0.00265 0.04479 -0.06519 0.13550 136 4ZZ -0.04941 0.03212 0.08048 -0.04905 -0.08178 137 4XY -0.02604 -0.01439 -0.04100 -0.08252 -0.08346 138 4XZ 0.05958 0.05074 0.00476 0.00150 0.06306 139 4YZ -0.03242 -0.02498 0.04390 0.01830 -0.00969 140 10 H 1S 0.16342 -0.05386 -0.05685 -0.01820 0.06754 141 2S 0.22371 -0.03629 -0.09137 0.04778 0.15305 142 11 H 1S 0.09163 -0.15362 -0.10756 -0.00879 0.21877 143 2S 0.34580 -0.13046 -0.09448 -0.13905 0.27470 144 12 H 1S -0.39428 -0.38563 -0.42565 0.02549 -0.16881 145 2S -0.72879 -0.38765 -0.67719 -0.04282 -0.22442 146 13 H 1S 0.08903 0.11817 0.11455 0.07563 -0.04890 147 2S 0.00602 0.19249 0.11978 0.19348 -0.07567 148 14 C 1S -0.01521 0.01256 -0.00100 -0.01035 -0.01411 149 2S -0.43795 0.25111 -0.03022 -0.04038 -0.35059 150 2PX -0.01354 0.00886 -0.02594 0.16206 -0.04410 151 2PY 0.08428 -0.03566 0.02936 0.02266 0.01187 152 2PZ 0.04090 -0.06771 0.04889 -0.03731 -0.05228 153 3S 2.00999 -1.85019 0.30901 1.90702 1.08434 154 3PX 0.52009 -0.70486 0.20726 0.60991 0.36620 155 3PY 0.29094 0.83826 -1.69182 -0.00416 0.38481 156 3PZ 0.53835 -0.02420 -0.95480 0.38966 0.52659 157 4XX 0.01917 -0.08777 0.05093 -0.21278 -0.02392 158 4YY -0.07217 0.05801 0.02884 0.06857 -0.00926 159 4ZZ -0.00638 0.05185 -0.08675 0.15457 -0.00739 160 4XY 0.02355 -0.00450 -0.07363 -0.06530 0.05599 161 4XZ 0.00907 0.07905 -0.02981 0.16396 0.04995 162 4YZ -0.02639 0.01174 0.00433 -0.13430 -0.04458 163 15 H 1S -0.13976 -0.12384 0.33899 -0.10130 -0.10164 164 2S -0.25395 -0.25381 0.54618 -0.00921 -0.19813 165 16 H 1S 0.18281 0.18323 -0.43701 -0.06059 0.01464 166 2S -0.09195 0.25598 -0.61551 0.01705 0.11880 167 17 C 1S -0.02771 0.01429 -0.00466 -0.00011 0.01187 168 2S -0.65327 0.41943 0.06610 -0.06804 0.28038 169 2PX 0.13225 0.07710 0.03471 -0.00372 0.03538 170 2PY 0.01812 -0.09177 -0.08196 0.02547 -0.03962 171 2PZ 0.10768 0.07798 0.00890 -0.04247 -0.05862 172 3S 3.55561 -1.21784 1.30966 -0.41163 -0.95791 173 3PX -0.59039 -1.05148 1.07659 0.88817 0.04817 174 3PY -1.23006 0.56219 -0.41073 0.23890 0.34260 175 3PZ -1.01684 -0.58605 0.74588 0.86101 0.24110 176 4XX -0.08675 0.03067 0.01538 -0.04767 -0.00938 177 4YY 0.04063 -0.01921 0.02356 0.00988 0.05010 178 4ZZ -0.03582 0.03682 -0.03141 0.03455 -0.00102 179 4XY 0.02778 0.00508 -0.08064 -0.02071 0.07516 180 4XZ -0.04343 0.04701 0.02792 0.02993 0.03106 181 4YZ 0.05727 0.09507 0.01259 -0.10061 -0.14089 182 18 H 1S 0.12444 0.25645 -0.39181 -0.21315 0.06661 183 2S 0.21001 0.37855 -0.35168 -0.44452 0.01617 184 19 H 1S -0.29335 -0.22008 0.18076 0.26330 0.07647 185 2S -0.55601 -0.36483 0.37914 0.29721 0.10915 121 122 123 124 125 V V V V V Eigenvalues -- 1.40977 1.42356 1.45816 1.53515 1.55902 1 1 S 1S -0.00108 -0.00040 -0.01344 -0.00035 -0.00783 2 2S 0.01325 -0.00111 0.01444 0.03671 0.01053 3 2PX -0.01081 0.00135 -0.03748 -0.01834 -0.03417 4 2PY -0.02132 0.01087 -0.03604 0.00078 -0.02344 5 2PZ -0.02048 -0.00022 0.00049 -0.00829 -0.02227 6 3S 0.02359 -0.00904 -0.34845 0.10525 -0.20815 7 3PX 0.09842 -0.01434 0.24425 0.11654 0.21201 8 3PY 0.20325 -0.11902 0.26459 -0.08231 0.19028 9 3PZ 0.09797 0.00891 -0.02640 0.09280 0.09701 10 4S -0.17100 -0.33952 0.59193 -1.84397 0.22155 11 4PX 0.14374 0.01841 -0.27515 0.53809 0.01081 12 4PY 0.24015 -0.32977 0.42592 -0.61096 0.41702 13 4PZ 0.18600 0.18545 -0.10097 0.21158 -0.01487 14 5XX 0.00736 0.00910 0.14837 0.08773 -0.07600 15 5YY -0.03344 -0.05854 0.06999 -0.04222 -0.00726 16 5ZZ -0.01914 0.02197 -0.21272 -0.09066 0.09645 17 5XY -0.08923 0.04821 -0.00284 -0.01885 -0.05317 18 5XZ -0.13446 0.00437 0.03336 0.03604 -0.08006 19 5YZ -0.04825 -0.01399 -0.23057 -0.07823 -0.05873 20 2 O 1S 0.00537 -0.01989 0.03174 -0.04302 0.01781 21 2S 0.28923 -0.39840 0.49823 -0.74549 0.30559 22 2PX -0.09309 0.03342 -0.04900 0.01550 0.02383 23 2PY -0.09290 0.06799 -0.04250 0.10704 -0.06556 24 2PZ 0.05364 -0.00255 0.03081 -0.03092 0.02207 25 3S -0.54281 1.00655 -1.34345 2.07807 -0.82620 26 3PX 0.11162 -0.06683 0.12673 -0.11839 -0.02726 27 3PY 0.19381 -0.27292 0.36017 -0.51908 0.23432 28 3PZ -0.15401 0.08308 -0.19873 0.20128 -0.12616 29 4XX 0.06548 -0.09694 0.10918 -0.14001 0.04187 30 4YY 0.09776 -0.14217 0.18203 -0.26338 0.13606 31 4ZZ 0.01988 -0.06973 0.10869 -0.17519 0.05620 32 4XY 0.03178 -0.02781 0.03701 -0.03336 0.01158 33 4XZ 0.01849 -0.00157 0.00627 -0.01230 -0.01754 34 4YZ -0.05346 0.04570 -0.08652 0.05601 -0.00803 35 3 O 1S -0.02544 0.01274 0.04382 0.01623 -0.02966 36 2S -0.44347 0.25711 0.56581 0.07588 -0.52729 37 2PX -0.15406 -0.06530 -0.35706 -0.14031 -0.01283 38 2PY -0.20492 0.04389 -0.13972 -0.18349 -0.05780 39 2PZ -0.10897 0.05283 -0.07423 -0.05448 -0.15703 40 3S 1.23828 -0.69661 -1.85677 -0.57753 1.27601 41 3PX 0.37500 0.25921 1.27414 0.78843 0.08617 42 3PY 0.50209 -0.03600 0.45106 0.61786 0.17021 43 3PZ 0.47409 -0.18563 0.11551 -0.04050 0.55461 44 4XX -0.11451 0.05387 0.36430 0.06900 -0.11000 45 4YY -0.07793 0.03882 0.12509 0.00599 -0.15354 46 4ZZ -0.16270 0.11027 -0.01636 0.03033 -0.14923 47 4XY -0.08600 0.04198 0.10506 -0.02646 -0.01707 48 4XZ -0.02838 -0.01209 -0.03637 0.00404 0.10465 49 4YZ -0.13736 0.02171 -0.04108 -0.05304 -0.21024 50 4 C 1S -0.00458 -0.00023 0.01157 -0.00431 -0.02233 51 2S -0.15569 -0.00703 0.11396 0.01856 -0.16294 52 2PX 0.07878 0.08819 -0.03721 0.01917 0.04384 53 2PY -0.08978 -0.04291 -0.01761 0.04616 0.11937 54 2PZ -0.06047 -0.01295 -0.00567 0.08357 0.01839 55 3S 1.09031 -0.18885 -0.81783 0.79143 2.11340 56 3PX 0.67900 -0.10764 -0.23563 -0.06480 0.59708 57 3PY 1.65384 -0.28794 -0.34879 0.22557 0.99569 58 3PZ 0.26387 -0.05617 0.27246 0.05783 0.10128 59 4XX -0.11684 -0.34169 0.05018 -0.04230 0.01391 60 4YY 0.05876 0.18930 0.06333 0.04826 -0.13421 61 4ZZ 0.06834 0.14166 -0.09909 -0.03032 0.09608 62 4XY -0.05146 -0.15898 -0.04088 0.03980 0.07089 63 4XZ -0.08276 -0.19933 0.13653 0.10156 0.01725 64 4YZ 0.09178 0.20679 -0.06950 -0.02117 0.00957 65 5 C 1S -0.01125 -0.02587 -0.02277 -0.02596 -0.01869 66 2S -0.40201 -0.29896 -0.25911 -0.52473 -0.09329 67 2PX 0.13976 0.04346 0.16413 0.00910 -0.11793 68 2PY -0.00350 0.00115 0.09927 -0.08593 0.27415 69 2PZ -0.00895 -0.00243 0.16170 -0.12681 0.08050 70 3S -0.15885 1.85577 1.92728 0.66213 2.55040 71 3PX -1.10366 -0.13407 0.49922 1.12305 -1.65658 72 3PY -1.11945 0.67701 -0.56053 0.05850 0.68316 73 3PZ -1.32608 0.04886 -1.18145 -0.09497 -1.02435 74 4XX 0.02639 0.06288 0.02683 0.02361 -0.01237 75 4YY 0.09250 -0.03681 -0.13243 -0.12489 0.03891 76 4ZZ -0.16215 -0.02987 0.13227 0.10317 -0.05618 77 4XY -0.07004 -0.09154 -0.05420 -0.00810 -0.11281 78 4XZ -0.00562 0.08009 -0.26807 -0.09489 -0.09145 79 4YZ -0.11212 0.02676 0.02119 0.08178 -0.06935 80 6 C 1S 0.04785 -0.00429 -0.00349 0.00746 -0.00869 81 2S 0.63797 -0.38168 -0.16443 0.01588 -0.04129 82 2PX -0.19533 0.02519 0.03943 -0.06830 0.14982 83 2PY -0.00462 -0.11927 -0.00690 0.10008 -0.39354 84 2PZ -0.14677 -0.00406 0.02205 0.03329 -0.21263 85 3S -3.36531 0.63118 0.62880 -1.07669 2.36507 86 3PX 3.38038 -1.43849 -0.37604 0.26845 -1.32913 87 3PY -1.14044 1.39400 -0.05873 -1.57029 5.44430 88 3PZ 1.70761 -0.21187 0.07629 -0.49393 2.33256 89 4XX -0.11198 -0.00080 -0.02680 -0.09181 0.01800 90 4YY 0.00583 0.09005 0.07764 0.15084 0.12563 91 4ZZ 0.10078 -0.12380 -0.05818 -0.07656 -0.11267 92 4XY -0.17084 0.03713 0.03720 0.05887 0.06232 93 4XZ 0.03369 0.07652 0.08066 0.14537 0.01676 94 4YZ 0.10091 -0.00211 -0.03236 -0.15624 -0.08043 95 7 C 1S -0.02151 0.02219 0.02698 -0.02976 0.02082 96 2S -0.56354 0.15666 0.23626 -0.35341 0.25802 97 2PX 0.14664 0.01449 0.03016 0.14810 -0.32832 98 2PY -0.15270 0.14758 0.03915 -0.05165 0.15222 99 2PZ 0.15907 0.04119 0.13956 0.03540 -0.22636 100 3S 1.54814 -1.72537 -1.47016 1.70102 -3.45332 101 3PX -1.82846 0.16893 -0.44476 -1.96859 4.68260 102 3PY 2.60863 -1.35794 -0.17843 1.11829 -1.67951 103 3PZ -0.56296 -0.48824 -0.72265 -0.83618 3.29199 104 4XX 0.09891 -0.02433 0.02531 -0.35556 -0.13944 105 4YY 0.04749 -0.06907 -0.05449 0.11871 -0.00618 106 4ZZ -0.16592 0.04726 0.05450 0.20603 0.13587 107 4XY 0.14879 -0.16688 -0.09121 -0.00506 -0.04460 108 4XZ 0.04223 0.05051 -0.04367 0.12427 -0.00022 109 4YZ -0.06777 0.13014 0.12556 -0.17309 -0.02351 110 8 C 1S -0.00370 -0.02541 -0.03849 -0.02651 0.04681 111 2S 0.01229 -0.43927 -0.70295 -0.22972 0.27220 112 2PX -0.11581 0.09311 -0.04194 -0.04412 0.14972 113 2PY -0.02347 -0.05495 0.07613 0.01892 -0.09911 114 2PZ -0.06380 0.06447 0.10965 0.05141 0.19263 115 3S 1.72913 1.04853 1.65433 2.23359 -3.36250 116 3PX -0.57615 -0.26812 -0.23499 -0.34619 0.65816 117 3PY -0.05218 0.49163 0.22189 0.19607 -1.34963 118 3PZ -0.12143 0.13177 0.07614 -1.09544 -0.43941 119 4XX -0.06270 -0.09242 -0.05614 0.27044 -0.04437 120 4YY 0.06308 0.04131 -0.07367 -0.01784 0.07334 121 4ZZ 0.04028 0.00131 0.09167 -0.27530 0.02180 122 4XY -0.05445 -0.12649 -0.05210 0.16628 0.08252 123 4XZ 0.01225 0.07934 -0.01940 -0.01578 -0.01033 124 4YZ -0.00652 0.01298 0.02825 0.08388 0.08531 125 9 C 1S 0.00263 0.00667 -0.00578 0.00486 0.01527 126 2S -0.01547 0.11038 -0.23545 0.28045 0.20340 127 2PX 0.05119 0.12870 -0.02183 -0.03525 0.00783 128 2PY 0.03940 -0.04347 -0.05702 0.06604 0.11095 129 2PZ 0.03032 -0.03871 0.13461 -0.11616 -0.04015 130 3S -1.45374 -0.07322 0.28042 -0.62862 -1.44182 131 3PX 0.24515 -0.07055 -0.22928 0.48353 0.45489 132 3PY -0.26693 -0.17365 0.05270 -0.23264 0.15412 133 3PZ 0.72028 -0.06905 -0.95635 1.52505 1.38378 134 4XX 0.12167 0.30845 -0.07712 -0.14597 -0.00047 135 4YY -0.05570 -0.13813 -0.03178 0.08303 0.03414 136 4ZZ -0.09143 -0.15494 0.12114 0.03579 -0.05836 137 4XY 0.06295 0.16329 -0.07739 -0.02070 0.04331 138 4XZ 0.08838 0.25048 -0.08202 0.06581 -0.00174 139 4YZ -0.07397 -0.17650 0.08249 -0.02355 -0.00416 140 10 H 1S 0.36295 -0.08497 -0.07082 -0.04780 0.17388 141 2S 0.53865 -0.10264 -0.07981 -0.03375 0.18081 142 11 H 1S -0.36657 -0.11537 -0.31860 -0.05319 -0.24553 143 2S -0.76988 -0.04571 -0.63221 0.04999 -0.52362 144 12 H 1S -0.01924 -0.17657 -0.19548 -0.08407 0.36441 145 2S -0.05647 -0.19811 -0.25578 0.20693 0.44154 146 13 H 1S -0.04772 -0.01043 0.16206 -0.34936 -0.13004 147 2S -0.19930 0.04124 0.37051 -0.59729 -0.40947 148 14 C 1S -0.02694 0.01148 0.00713 -0.00043 0.00464 149 2S -0.18110 0.25808 0.16727 0.03040 -0.05870 150 2PX 0.16763 0.01500 0.02699 0.00031 -0.08524 151 2PY -0.12369 -0.02871 -0.00460 0.00452 -0.05426 152 2PZ 0.10921 -0.02642 -0.02400 0.03374 -0.08746 153 3S 4.21649 -1.77885 -0.66992 0.40678 -1.28457 154 3PX 1.30881 -0.71998 -0.29275 0.13754 -0.25537 155 3PY -0.10716 -0.24700 0.12065 0.44454 -1.83278 156 3PZ 0.75005 -0.60123 -0.12928 0.30490 -1.32304 157 4XX 0.11949 -0.02301 0.00117 0.08211 -0.01772 158 4YY -0.07051 0.08490 0.01535 0.02634 0.12984 159 4ZZ -0.05785 -0.05159 -0.00392 -0.10463 -0.12598 160 4XY 0.02062 -0.01620 -0.03285 0.05267 0.05853 161 4XZ 0.03390 0.04211 0.01093 0.01367 0.00147 162 4YZ 0.05441 0.04455 0.06012 0.04348 -0.11105 163 15 H 1S -0.16701 0.11259 -0.01859 -0.13873 0.47482 164 2S -0.11030 0.07740 -0.04364 -0.10637 0.59497 165 16 H 1S -0.15485 -0.07389 -0.01067 0.04166 -0.30163 166 2S -0.01825 -0.15825 0.05685 0.17624 -0.66138 167 17 C 1S 0.01761 -0.00997 -0.00410 0.00805 -0.00972 168 2S 0.25837 0.02464 -0.05023 0.05799 -0.03729 169 2PX -0.06643 0.09163 0.03530 -0.04953 -0.02533 170 2PY 0.01215 -0.08486 -0.00564 0.06703 -0.12029 171 2PZ 0.04375 -0.04346 -0.04174 0.05933 -0.08735 172 3S -2.87795 1.52562 0.66717 -1.50534 2.26587 173 3PX 0.39344 0.15692 0.25757 0.58956 -1.35159 174 3PY 1.20358 -0.43065 -0.24485 0.68561 -0.90992 175 3PZ 0.75537 0.03188 0.24047 0.60257 -1.46359 176 4XX 0.13942 -0.09716 0.00103 -0.13283 -0.18457 177 4YY -0.11134 0.12471 0.08230 -0.08949 0.03616 178 4ZZ 0.00317 -0.04070 -0.08806 0.21174 0.15834 179 4XY -0.09590 0.05655 0.05656 -0.16085 -0.02351 180 4XZ 0.00977 0.10404 0.03968 0.03675 0.01757 181 4YZ 0.06128 -0.06376 -0.07554 0.04761 0.02018 182 18 H 1S -0.05604 -0.12884 -0.07424 -0.10987 0.24860 183 2S -0.25433 -0.09882 -0.14150 -0.27277 0.57719 184 19 H 1S 0.20767 -0.04637 0.00677 0.17348 -0.42688 185 2S 0.19856 -0.00603 0.09764 0.22381 -0.54123 126 127 128 129 130 V V V V V Eigenvalues -- 1.58705 1.62968 1.66206 1.69885 1.71060 1 1 S 1S -0.01325 -0.01194 -0.01049 0.00332 0.00381 2 2S -0.02394 -0.03106 0.00981 -0.01181 -0.00880 3 2PX -0.02668 -0.01835 -0.03133 0.01990 0.01670 4 2PY -0.01323 0.00373 -0.02283 0.01263 -0.00239 5 2PZ 0.01832 0.02369 0.00772 -0.01001 -0.01208 6 3S -0.50106 -0.47359 -0.31644 0.07187 0.09797 7 3PX 0.13869 0.10458 0.17534 -0.09046 -0.08285 8 3PY 0.13737 0.03492 0.12698 -0.07726 0.00308 9 3PZ -0.14118 -0.17980 -0.05142 0.04553 0.06124 10 4S 1.94684 1.66368 0.29410 -0.12318 0.04796 11 4PX -0.70390 -0.66953 -0.15695 0.01279 -0.01684 12 4PY 0.50143 0.25119 0.03563 -0.13323 0.02215 13 4PZ -0.21505 -0.13543 0.01410 0.09761 -0.00247 14 5XX -0.09555 -0.05997 -0.02202 0.03186 0.04911 15 5YY 0.13315 0.13416 0.04227 -0.00261 -0.05877 16 5ZZ 0.07126 -0.00371 0.06015 -0.06536 -0.01882 17 5XY 0.00472 0.08632 -0.05190 0.03969 -0.02125 18 5XZ 0.00356 0.01743 -0.00142 -0.06249 -0.06571 19 5YZ 0.00010 -0.04008 0.04079 -0.05832 0.01853 20 2 O 1S 0.04248 0.03161 0.00441 -0.00626 -0.00170 21 2S 0.68672 0.48011 0.07145 -0.15642 0.00791 22 2PX -0.03386 -0.04489 -0.01889 0.00260 0.00582 23 2PY -0.06540 -0.03827 -0.01844 0.02666 -0.01960 24 2PZ 0.01355 0.00151 -0.01720 -0.02270 -0.01051 25 3S -1.97039 -1.40759 -0.21506 0.38589 -0.00601 26 3PX 0.16241 0.16730 0.05430 -0.02144 -0.00944 27 3PY 0.49405 0.36793 0.07284 -0.09718 0.01127 28 3PZ -0.19029 -0.13517 -0.00426 0.05259 0.03300 29 4XX 0.06921 0.02804 0.02251 -0.00603 0.05903 30 4YY 0.25541 0.16710 0.01497 -0.08386 0.01709 31 4ZZ 0.19449 0.16343 0.01292 -0.01239 -0.07624 32 4XY 0.05840 0.01943 0.03416 -0.05012 0.07550 33 4XZ 0.02796 0.00135 -0.02560 0.05238 0.12229 34 4YZ -0.05445 -0.06049 -0.01971 -0.02026 0.01829 35 3 O 1S 0.00437 0.01667 -0.00163 0.00382 -0.00641 36 2S -0.01383 0.25097 -0.23762 0.15076 0.01725 37 2PX 0.13404 0.06439 0.04910 -0.04771 -0.01645 38 2PY 0.10262 0.10258 0.02372 0.02830 0.00959 39 2PZ -0.07848 0.02700 -0.10110 0.04300 0.02967 40 3S -0.21028 -0.58866 0.33282 -0.24920 0.11394 41 3PX -0.49544 -0.35081 -0.12936 0.18289 -0.02034 42 3PY -0.50906 -0.40332 -0.05555 -0.02183 0.00003 43 3PZ 0.10598 -0.10180 0.12705 -0.06284 0.00808 44 4XX -0.02111 -0.02894 -0.10319 0.00376 -0.00425 45 4YY 0.15304 0.16182 0.06703 0.08422 -0.11187 46 4ZZ -0.11681 0.06669 -0.07141 -0.01963 0.09651 47 4XY 0.00322 0.19545 0.06108 0.15391 0.02240 48 4XZ 0.06248 -0.07977 0.08796 -0.09090 0.07159 49 4YZ 0.04122 0.05089 -0.12023 -0.06215 -0.08957 50 4 C 1S 0.01859 -0.00789 -0.00238 -0.01778 0.00085 51 2S 0.43364 -0.01648 0.06623 -0.11179 -0.19654 52 2PX 0.04433 0.03306 0.11356 -0.00248 0.04125 53 2PY 0.15054 0.04099 -0.00962 0.03297 -0.03372 54 2PZ -0.10660 -0.03257 0.02089 0.02762 0.10908 55 3S -1.37883 1.04395 0.14463 1.45278 0.22883 56 3PX -0.89202 0.20739 -0.24499 0.43144 -0.08687 57 3PY -2.05720 0.40322 -0.32248 0.95129 -0.08844 58 3PZ -0.38068 -0.05767 0.03728 -0.11286 -0.17717 59 4XX -0.15116 -0.02355 -0.13010 0.10615 -0.15189 60 4YY 0.03165 0.02629 0.27824 -0.10200 0.01026 61 4ZZ 0.10252 0.00158 -0.14135 -0.00044 0.15325 62 4XY -0.03657 -0.02869 -0.26828 0.18124 0.05450 63 4XZ -0.06978 -0.04091 0.19633 -0.12672 0.01517 64 4YZ -0.00931 0.04511 -0.00476 0.04442 -0.25764 65 5 C 1S 0.03582 0.01099 0.00348 -0.01963 -0.00430 66 2S 0.42492 0.18523 -0.01736 -0.13146 0.05621 67 2PX -0.02190 0.05244 -0.03379 0.00955 -0.07669 68 2PY -0.14111 0.05506 -0.03362 0.07097 0.22115 69 2PZ 0.04951 0.00055 -0.05998 0.01287 -0.09952 70 3S -1.45430 -0.71992 0.39195 0.60626 0.07772 71 3PX 0.49749 -0.53527 0.11741 -0.63117 -0.31507 72 3PY 0.67200 0.02314 0.52547 0.20734 -0.28709 73 3PZ 0.66498 -0.16601 0.64907 -0.59916 -0.18291 74 4XX -0.02076 0.09947 -0.08342 0.17509 0.03838 75 4YY -0.20736 -0.07626 -0.07238 -0.06153 -0.28407 76 4ZZ 0.25014 -0.02776 0.15380 -0.13612 0.22548 77 4XY -0.13469 -0.10606 -0.08704 -0.10823 -0.01164 78 4XZ 0.02645 0.03310 -0.13851 0.01449 0.19337 79 4YZ 0.14102 0.06837 0.15192 0.03958 -0.14158 80 6 C 1S 0.00059 0.00824 -0.00985 0.00888 0.01057 81 2S 0.08394 0.03228 -0.03636 -0.10733 0.07627 82 2PX 0.05280 -0.03142 0.15230 -0.12907 -0.11196 83 2PY 0.16345 0.04548 -0.09306 -0.01566 -0.23748 84 2PZ 0.02582 -0.03942 0.07482 -0.08781 -0.20220 85 3S -0.87884 -0.40294 1.64799 -0.48685 -1.22668 86 3PX -0.45562 0.31156 -1.09814 0.51529 1.07165 87 3PY -1.56058 0.04797 1.19837 1.11080 0.44865 88 3PZ -0.74676 0.19805 -0.29067 0.65093 0.86002 89 4XX -0.16837 0.02681 0.00510 0.15833 -0.01273 90 4YY 0.18946 -0.12124 0.03914 -0.01203 -0.14955 91 4ZZ -0.02470 0.09215 -0.05192 -0.13956 0.13313 92 4XY 0.07920 -0.07352 -0.00324 0.03201 0.25036 93 4XZ 0.14708 -0.03477 -0.06038 -0.03207 0.09516 94 4YZ -0.17885 0.07606 0.14496 -0.09899 0.11242 95 7 C 1S 0.01748 0.02125 -0.00196 0.00221 0.00790 96 2S 0.14988 0.19087 0.11296 0.00567 0.01841 97 2PX 0.06931 0.00248 -0.05096 -0.06901 0.21556 98 2PY -0.00441 0.06720 -0.15851 0.15923 0.08828 99 2PZ 0.06690 0.04240 -0.09948 -0.04968 0.22308 100 3S 0.20768 -1.34431 0.21619 -1.34491 -0.85941 101 3PX -1.31896 -0.31930 0.95069 0.65768 -0.51122 102 3PY -0.27534 -0.45574 0.83503 -1.23165 -0.32973 103 3PZ -1.00932 -0.13105 1.22935 0.42803 -0.63399 104 4XX -0.04828 -0.18634 0.07545 -0.12786 -0.06804 105 4YY 0.05669 0.05616 -0.06376 0.10676 -0.00786 106 4ZZ 0.03968 0.15637 -0.01927 0.01261 0.05306 107 4XY 0.09830 0.03547 0.06114 -0.01436 0.19369 108 4XZ 0.00327 -0.00211 0.10555 -0.02240 0.02658 109 4YZ -0.11553 -0.08750 -0.00053 -0.09182 0.22665 110 8 C 1S 0.01052 0.00112 0.01791 0.00474 0.00795 111 2S 0.04596 -0.01438 0.01093 0.11214 0.16603 112 2PX -0.04092 -0.06673 0.09001 0.01804 -0.09551 113 2PY 0.12169 -0.01970 0.03146 -0.07154 0.18525 114 2PZ -0.02275 0.08332 0.11475 0.00370 -0.15030 115 3S -0.30385 0.27127 -0.76783 -0.06714 -0.18337 116 3PX -0.49052 -0.38299 -0.13576 0.12042 0.11780 117 3PY 0.50966 0.13580 -1.04191 0.02691 0.37639 118 3PZ 0.06849 -0.20554 -0.62822 0.16260 0.35855 119 4XX -0.01141 -0.03559 0.16606 0.05931 -0.13586 120 4YY 0.03220 0.10199 -0.07014 0.11636 0.25686 121 4ZZ -0.00698 -0.04928 -0.07560 -0.15810 -0.12611 122 4XY -0.12344 -0.06051 0.14952 -0.05106 0.09134 123 4XZ -0.07853 -0.05540 -0.00877 -0.02113 -0.08366 124 4YZ 0.08250 0.13152 0.03983 0.19192 0.07042 125 9 C 1S -0.01895 0.00943 0.00195 0.01549 -0.00557 126 2S -0.09308 0.23947 0.09931 0.40836 -0.21603 127 2PX -0.06943 -0.02145 0.04619 -0.01159 -0.04145 128 2PY -0.04156 0.03882 -0.07339 0.15268 -0.12280 129 2PZ -0.13280 -0.07515 -0.04595 -0.03408 -0.01663 130 3S 2.16520 -0.76286 -0.29608 -1.36433 0.65506 131 3PX -0.13023 0.34109 0.01103 0.39730 0.07961 132 3PY 0.19913 -0.09169 0.02011 -0.40005 0.36504 133 3PZ -0.95488 0.89059 0.62270 1.19273 -0.19033 134 4XX 0.11320 0.04671 0.01657 -0.05420 -0.14604 135 4YY -0.08890 -0.09429 0.12070 -0.11775 0.18519 136 4ZZ -0.03216 0.04255 -0.13126 0.15497 -0.02866 137 4XY 0.16188 0.15028 -0.24624 0.17768 0.09127 138 4XZ -0.02007 -0.07179 0.29864 -0.13685 -0.02665 139 4YZ -0.00733 -0.03537 -0.08689 -0.06492 -0.18971 140 10 H 1S -0.37553 0.00676 -0.18024 0.09044 -0.07664 141 2S -0.72629 0.06632 -0.15327 0.26698 -0.09118 142 11 H 1S 0.30197 0.02003 0.13078 -0.12884 -0.08279 143 2S 0.52739 -0.05755 0.33138 -0.27402 -0.18444 144 12 H 1S 0.09594 0.03578 0.23475 -0.08937 -0.07222 145 2S -0.03455 -0.01540 0.47254 -0.09403 -0.19120 146 13 H 1S 0.09690 -0.13627 -0.18672 -0.23205 -0.02138 147 2S 0.14168 -0.28736 -0.17925 -0.37649 0.00755 148 14 C 1S 0.00149 -0.00313 0.00738 -0.00486 -0.00863 149 2S -0.01533 -0.01905 0.07436 -0.06061 -0.04589 150 2PX -0.03164 0.01204 -0.01480 0.02530 0.05235 151 2PY -0.00640 -0.03652 0.04620 -0.05705 0.10498 152 2PZ 0.05218 -0.01307 -0.01747 -0.05800 0.09319 153 3S -0.10356 0.41385 -1.47342 0.64586 1.32050 154 3PX 0.00054 0.09767 -0.54555 0.16410 0.47257 155 3PY 0.67067 0.01726 -0.30367 -0.43123 -0.45654 156 3PZ 0.21927 0.07584 -0.45650 -0.02049 0.08283 157 4XX 0.09638 0.02727 -0.09560 -0.07118 0.00041 158 4YY 0.19739 -0.43084 -0.14171 -0.13171 -0.00417 159 4ZZ -0.28500 0.38877 0.26170 0.16920 -0.00333 160 4XY 0.19406 -0.23014 -0.17941 -0.05139 -0.17693 161 4XZ 0.02638 -0.13998 -0.09752 0.07454 -0.04674 162 4YZ -0.07507 0.23527 0.11742 -0.02670 -0.08951 163 15 H 1S -0.12374 0.00794 0.07240 0.15804 -0.12301 164 2S -0.19536 -0.07178 0.14741 0.01021 0.16778 165 16 H 1S 0.12822 -0.02701 -0.02735 -0.10373 0.07767 166 2S 0.18975 0.00043 -0.15593 -0.13432 -0.17618 167 17 C 1S -0.00183 -0.00407 0.00511 -0.00785 -0.00474 168 2S -0.02335 -0.02331 0.09823 -0.06674 -0.02921 169 2PX -0.01333 0.00801 -0.05751 0.01719 -0.07448 170 2PY -0.04023 -0.03722 -0.01397 -0.03109 -0.01579 171 2PZ 0.03341 0.02525 -0.03956 0.04458 -0.09693 172 3S 0.20404 0.68551 -0.85816 1.32053 0.53465 173 3PX 0.53021 0.14896 -0.40102 -0.05029 0.32133 174 3PY -0.07351 -0.30574 0.29141 -0.51496 -0.17745 175 3PZ 0.32626 -0.08198 -0.26592 -0.38114 0.26491 176 4XX 0.14570 -0.36255 0.34052 0.50402 0.05761 177 4YY -0.08587 -0.04589 -0.06917 -0.00004 0.05240 178 4ZZ -0.06459 0.39934 -0.23664 -0.53356 -0.11667 179 4XY -0.05938 -0.15880 0.03442 0.10836 -0.07473 180 4XZ -0.13242 -0.01649 -0.02093 -0.15835 0.02831 181 4YZ 0.10845 0.01332 0.06698 0.22809 -0.13552 182 18 H 1S -0.04605 -0.00370 0.09863 -0.01651 0.05258 183 2S -0.20439 -0.00178 0.15783 0.11143 -0.19256 184 19 H 1S 0.14739 0.01142 -0.14577 -0.02456 -0.10606 185 2S 0.15976 0.02789 -0.03573 -0.10041 0.14904 131 132 133 134 135 V V V V V Eigenvalues -- 1.73667 1.74773 1.75773 1.81438 1.83289 1 1 S 1S 0.00794 0.01327 -0.00911 -0.00885 -0.00361 2 2S 0.02371 0.00426 -0.01212 -0.02893 -0.00674 3 2PX 0.00825 0.03670 -0.01273 -0.01094 -0.00865 4 2PY -0.00854 0.01304 -0.01519 0.00110 -0.00518 5 2PZ -0.02139 -0.03087 0.01548 0.02155 0.01469 6 3S 0.33179 0.45088 -0.33447 -0.37419 -0.12908 7 3PX -0.04755 -0.18690 0.08858 0.07573 0.06316 8 3PY 0.03765 -0.07400 0.05658 0.02112 0.04504 9 3PZ 0.13816 0.14889 -0.10662 -0.14162 -0.07583 10 4S -0.78439 -0.89226 0.78108 1.22787 0.11071 11 4PX 0.40024 0.36306 -0.36106 -0.53008 -0.06068 12 4PY 0.03158 -0.16759 0.15203 0.20049 0.04649 13 4PZ 0.05448 0.17106 -0.07589 -0.10400 0.03167 14 5XX 0.04193 0.03603 0.14306 -0.01188 0.05546 15 5YY -0.12135 -0.11380 -0.03035 0.07316 0.00506 16 5ZZ 0.02803 -0.03263 -0.04897 -0.00886 -0.06863 17 5XY -0.04971 -0.03250 0.02912 0.07162 -0.02914 18 5XZ -0.01960 -0.14413 0.09620 0.01184 0.02545 19 5YZ 0.00419 -0.02630 -0.02836 0.03603 -0.01439 20 2 O 1S -0.01010 -0.02271 0.01395 0.01861 0.00076 21 2S -0.04281 -0.21569 0.17071 0.30991 0.03180 22 2PX 0.01480 -0.00971 0.03294 -0.02658 -0.01821 23 2PY -0.01504 -0.01378 0.00147 -0.02900 -0.00605 24 2PZ 0.04786 -0.00080 0.03959 -0.00696 -0.02141 25 3S 0.27541 0.76261 -0.57195 -0.92423 -0.08860 26 3PX -0.06911 -0.05350 0.00529 0.12217 0.03661 27 3PY -0.07998 -0.16066 0.11278 0.22949 0.02401 28 3PZ -0.04227 0.05426 -0.08538 -0.06130 0.01600 29 4XX 0.06641 -0.00391 -0.13579 0.28876 -0.58738 30 4YY 0.00912 -0.16367 0.19328 0.06471 0.03414 31 4ZZ -0.13299 -0.04403 0.09030 -0.14549 0.56460 32 4XY -0.00290 -0.16298 0.20276 0.10523 -0.06323 33 4XZ -0.11359 -0.03348 0.08512 0.03244 -0.19174 34 4YZ 0.01991 -0.05218 0.17033 -0.15092 0.17677 35 3 O 1S -0.02930 -0.02776 0.00974 0.00063 0.00064 36 2S -0.44090 -0.11174 0.35957 0.37435 0.09503 37 2PX -0.01553 -0.15376 -0.06502 -0.09015 -0.09576 38 2PY -0.06610 0.00498 0.06093 0.00789 -0.01958 39 2PZ 0.00366 0.10681 0.04482 0.11063 -0.00546 40 3S 1.17334 0.60527 -0.77523 -0.58563 -0.01937 41 3PX -0.02789 0.18494 0.05360 -0.17642 0.16649 42 3PY 0.21197 0.05640 -0.15926 -0.24815 -0.00198 43 3PZ 0.11860 -0.12280 -0.19546 -0.20765 0.13606 44 4XX -0.02946 -0.18327 0.21988 0.05029 -0.15904 45 4YY -0.20610 0.30277 -0.33271 0.14927 0.12052 46 4ZZ -0.08454 -0.28097 0.29356 -0.02340 0.09934 47 4XY -0.16748 0.12826 0.04164 -0.07617 0.08934 48 4XZ 0.28823 0.07921 0.22184 0.05760 -0.18368 49 4YZ -0.22176 -0.30626 -0.04441 0.17192 0.05755 50 4 C 1S 0.01648 0.00590 -0.01573 -0.00961 0.00261 51 2S 0.17719 -0.01487 -0.46529 -0.12976 -0.04444 52 2PX -0.03278 0.00004 0.05683 0.02855 0.00997 53 2PY -0.00707 -0.07246 -0.15581 0.03525 0.03039 54 2PZ -0.02979 0.03244 0.10537 0.20939 0.03286 55 3S -1.78944 -1.00732 1.29316 1.44439 0.75639 56 3PX -0.31358 -0.37869 0.28445 0.35460 0.12369 57 3PY -1.30286 -0.91229 1.22912 0.88256 0.21461 58 3PZ 0.25509 -0.11382 0.00355 -0.37621 -0.26838 59 4XX -0.14243 -0.04581 -0.13890 -0.10169 -0.10065 60 4YY -0.09322 0.09356 0.09033 -0.02103 -0.04098 61 4ZZ 0.18982 -0.05710 0.04967 0.17015 0.14943 62 4XY 0.14864 0.01806 -0.09136 0.03900 0.01945 63 4XZ -0.08758 0.06285 -0.00815 -0.15258 0.00932 64 4YZ -0.13060 -0.20011 0.03958 -0.04185 -0.13506 65 5 C 1S 0.00296 0.00389 -0.00094 0.02565 0.01163 66 2S -0.07261 -0.08550 -0.02708 0.20301 0.00505 67 2PX -0.00303 0.07242 0.01768 0.16546 0.10755 68 2PY 0.01842 -0.09462 0.10117 -0.02822 0.02889 69 2PZ -0.07663 -0.12471 -0.10672 -0.09229 -0.01010 70 3S 0.44588 0.20397 -0.39059 -1.36832 -0.61105 71 3PX 0.18128 0.16385 0.11711 -0.35552 -0.76357 72 3PY -0.08279 0.40053 -0.21471 0.02882 -0.40600 73 3PZ 0.82562 0.93272 0.20121 -0.22417 -1.21318 74 4XX -0.15310 -0.16584 -0.20974 -0.23985 0.10932 75 4YY -0.04944 -0.04122 0.09411 0.29503 -0.12342 76 4ZZ 0.21831 0.20911 0.11748 -0.07127 0.01291 77 4XY -0.01309 -0.27367 0.11215 -0.11821 -0.15533 78 4XZ 0.01062 0.04640 -0.14161 0.08937 0.20133 79 4YZ -0.05666 0.10418 -0.01055 -0.10030 -0.20682 80 6 C 1S -0.00160 -0.00042 0.01086 -0.00652 -0.00508 81 2S 0.21156 -0.14418 0.36408 -0.23721 -0.01118 82 2PX 0.07355 -0.07041 0.09969 -0.00071 -0.07427 83 2PY 0.08532 0.14263 0.04035 0.07777 -0.00578 84 2PZ 0.06487 0.03605 0.14595 0.01952 -0.03496 85 3S -0.87288 -0.46672 -0.63416 1.47158 1.03667 86 3PX -0.48991 -0.23843 -0.39118 0.15518 2.66708 87 3PY -0.81092 -0.32256 -0.38698 -0.04043 0.38916 88 3PZ -0.44953 -0.87914 -1.15530 0.49221 2.40338 89 4XX -0.02476 0.13232 0.22534 -0.05166 -0.07339 90 4YY 0.01466 -0.07707 -0.15115 -0.00507 -0.01768 91 4ZZ 0.04072 -0.06576 -0.03778 0.06222 0.11925 92 4XY -0.03282 -0.18398 -0.04314 -0.28326 -0.00813 93 4XZ -0.00153 -0.11997 -0.14792 -0.05599 -0.13490 94 4YZ -0.26882 0.10246 -0.09242 0.05759 -0.06872 95 7 C 1S -0.01019 -0.01542 0.00861 0.00517 0.01734 96 2S -0.09306 -0.11731 0.34793 0.41794 0.19749 97 2PX -0.03062 -0.04471 0.04609 0.06514 0.00944 98 2PY -0.03249 0.01638 -0.14745 -0.13985 -0.12902 99 2PZ 0.00209 -0.03605 -0.02840 -0.08959 0.00616 100 3S 1.01534 0.94704 -0.19916 -1.14571 -1.76539 101 3PX -0.40865 0.00848 -1.27697 0.14738 0.20154 102 3PY 0.04956 -0.82026 0.26402 1.22993 3.06551 103 3PZ -0.86060 -0.22948 -0.38213 0.37925 1.20913 104 4XX -0.01771 0.15562 -0.03658 -0.02640 0.02504 105 4YY -0.00703 0.03221 0.12390 -0.01646 0.01097 106 4ZZ 0.05193 -0.19680 -0.03547 0.04065 -0.00611 107 4XY -0.24467 -0.03642 0.07090 -0.02844 -0.07759 108 4XZ -0.11702 -0.00392 -0.20475 -0.07957 -0.06727 109 4YZ -0.06702 -0.03268 -0.16484 0.03639 -0.04869 110 8 C 1S 0.00238 0.01868 -0.01752 -0.00022 -0.00770 111 2S -0.07513 0.03326 -0.28101 -0.14297 -0.17052 112 2PX 0.06808 0.07518 -0.07489 -0.00611 0.00561 113 2PY 0.03655 0.02643 0.05246 0.07054 0.16300 114 2PZ -0.06931 -0.01647 0.05142 0.08594 -0.00022 115 3S -0.27776 -0.86734 1.67405 0.80170 1.00893 116 3PX 0.02807 0.39659 -0.50360 -0.58858 -0.55204 117 3PY 0.71419 0.58349 0.04490 -0.72428 -0.91898 118 3PZ 0.20400 0.35327 -0.26642 -0.24747 -0.54752 119 4XX 0.09308 -0.14535 -0.06866 0.24141 0.12344 120 4YY -0.10443 0.13913 -0.01604 0.07716 -0.10400 121 4ZZ 0.00382 0.00931 0.10906 -0.28369 -0.02539 122 4XY -0.05161 -0.04503 0.11675 0.25366 0.10686 123 4XZ 0.04690 0.15333 -0.01338 -0.08950 0.07354 124 4YZ -0.07946 -0.05145 -0.02444 0.23010 0.00625 125 9 C 1S -0.02503 -0.01186 0.00722 0.01352 -0.00619 126 2S -0.31497 -0.13761 0.11339 0.08920 -0.05650 127 2PX -0.02161 -0.08049 0.03360 0.05379 0.01918 128 2PY -0.04577 -0.09082 0.00192 -0.02419 -0.02415 129 2PZ -0.01956 -0.00829 0.00598 0.03838 -0.00737 130 3S 1.86910 1.45713 -1.39769 -1.34439 -0.59782 131 3PX -0.23616 -0.11803 0.29919 0.25964 -0.12003 132 3PY 0.55985 0.32814 -0.29150 -0.30164 -0.07465 133 3PZ -1.40717 -0.82278 0.90995 1.21007 0.19898 134 4XX 0.08111 -0.11492 0.01884 -0.12129 -0.06359 135 4YY -0.04394 0.04925 -0.02197 0.04202 0.14381 136 4ZZ -0.02669 0.09364 -0.01860 0.09264 -0.08381 137 4XY 0.10504 0.12001 0.13000 -0.13035 -0.13684 138 4XZ -0.06222 -0.08949 0.04793 -0.00523 0.05628 139 4YZ 0.02584 -0.09130 -0.10677 -0.19539 0.00266 140 10 H 1S -0.14502 -0.23298 0.14196 0.07608 0.00389 141 2S -0.37210 -0.25516 0.34331 0.26404 0.00824 142 11 H 1S 0.06389 0.14095 0.02194 0.12338 -0.11246 143 2S 0.16665 0.33985 0.03124 0.00398 -0.53446 144 12 H 1S -0.04642 -0.12308 -0.09990 -0.02422 0.05671 145 2S -0.16209 -0.16985 -0.05806 0.20350 0.32698 146 13 H 1S 0.23914 0.01328 -0.11321 -0.30952 0.04431 147 2S 0.38675 0.22338 -0.24674 -0.33074 -0.01479 148 14 C 1S 0.00501 -0.00181 0.00746 0.00142 -0.00350 149 2S -0.04656 -0.04658 -0.04796 0.04311 0.14752 150 2PX -0.05294 -0.01201 -0.04226 -0.02118 0.18956 151 2PY -0.03714 -0.02508 0.00790 -0.07817 -0.09823 152 2PZ 0.01180 -0.07602 -0.08964 -0.01995 0.07056 153 3S -0.12497 -0.20852 -0.43833 -0.18246 1.96353 154 3PX 0.10106 -0.17439 -0.17631 -0.05386 0.78218 155 3PY 0.27866 0.16321 0.13240 -0.04862 -0.57008 156 3PZ 0.04174 0.18281 0.21928 -0.24652 0.08740 157 4XX 0.15744 -0.21982 -0.18097 0.08425 0.08342 158 4YY -0.39763 0.15079 0.07928 0.03149 -0.08320 159 4ZZ 0.24524 0.05598 0.09725 -0.12342 0.01276 160 4XY -0.06297 0.06445 0.05086 0.18385 0.17050 161 4XZ -0.21299 0.22045 0.15599 0.04919 -0.05148 162 4YZ 0.18174 -0.11135 -0.17270 0.11140 -0.09266 163 15 H 1S 0.05449 0.03857 0.06742 0.13742 0.19570 164 2S -0.06503 -0.11016 -0.07987 -0.01804 0.16224 165 16 H 1S 0.03417 -0.05731 0.00585 -0.16598 -0.10465 166 2S 0.10502 0.07840 0.11037 -0.01870 -0.07220 167 17 C 1S 0.00511 -0.00311 0.00738 0.00356 0.00819 168 2S -0.03377 -0.00945 0.02153 -0.00812 -0.05982 169 2PX 0.08584 0.04378 0.01095 0.00382 0.00560 170 2PY 0.07016 -0.00516 0.01303 0.03885 0.11811 171 2PZ 0.05662 0.04535 0.05537 -0.02032 0.03066 172 3S -0.24410 0.39265 -0.34331 -0.59812 -1.78320 173 3PX 0.17207 0.02798 0.44477 -0.22523 -0.41775 174 3PY 0.04534 -0.12095 0.06505 0.08401 0.64132 175 3PZ 0.35102 -0.06098 0.20697 -0.01810 -0.02711 176 4XX 0.00344 -0.19449 0.00065 -0.02808 0.04344 177 4YY 0.09464 -0.01294 -0.08477 0.10923 0.01505 178 4ZZ -0.10445 0.18862 0.07908 -0.08090 -0.04004 179 4XY 0.22243 -0.02611 -0.06691 0.13364 0.09165 180 4XZ 0.00499 0.01839 -0.17428 0.00382 0.05743 181 4YZ -0.02092 0.04881 0.14730 -0.17394 -0.00739 182 18 H 1S -0.15158 -0.06324 -0.04274 0.08477 0.01201 183 2S -0.07058 0.03127 -0.10112 0.07272 0.09373 184 19 H 1S 0.21365 0.06119 0.19784 -0.01327 0.00843 185 2S 0.05806 -0.03940 0.14401 -0.00533 -0.13763 136 137 138 139 140 V V V V V Eigenvalues -- 1.84237 1.85221 1.86526 1.89672 1.91417 1 1 S 1S -0.00968 0.00775 -0.00258 -0.00180 -0.00564 2 2S -0.02576 0.01465 0.02441 -0.06473 0.00031 3 2PX -0.02074 0.00985 0.00089 0.01809 -0.00871 4 2PY -0.01381 0.00397 0.00428 -0.00811 -0.00427 5 2PZ 0.01237 -0.00591 0.01985 -0.03097 0.01765 6 3S -0.37736 0.29960 -0.03642 -0.21960 -0.20517 7 3PX 0.13447 -0.06358 0.00768 -0.05373 0.05122 8 3PY 0.09058 -0.02644 -0.03668 0.07331 0.01959 9 3PZ -0.09396 0.04413 -0.08924 0.08026 -0.11753 10 4S 0.95395 -0.85423 -0.55509 1.56699 0.25108 11 4PX -0.40077 0.37573 0.18063 -0.66623 -0.12398 12 4PY 0.15831 -0.14866 -0.17462 0.28142 0.07112 13 4PZ 0.00016 -0.02319 -0.05556 0.08058 -0.04430 14 5XX -0.06326 -0.02960 0.09539 -0.02112 0.02608 15 5YY 0.00281 -0.03867 0.04584 -0.04326 0.06320 16 5ZZ 0.07563 0.01379 -0.06426 -0.02233 -0.00155 17 5XY 0.01806 -0.08222 -0.00811 0.05891 -0.00061 18 5XZ -0.01715 -0.08464 0.09623 -0.14526 0.04864 19 5YZ 0.03901 0.00554 -0.05595 0.01743 0.01721 20 2 O 1S 0.01286 -0.01087 -0.00816 0.01732 0.00319 21 2S 0.22377 -0.16927 -0.15773 0.35651 0.08029 22 2PX -0.00188 0.00037 -0.00430 -0.03643 -0.01445 23 2PY -0.01776 0.01123 0.03035 -0.03371 0.00948 24 2PZ 0.00738 0.00787 -0.01214 0.03309 -0.00757 25 3S -0.66928 0.53529 0.44919 -1.03076 -0.22787 26 3PX 0.05998 -0.04858 -0.02025 0.14749 0.04220 27 3PY 0.15272 -0.12460 -0.10775 0.22869 0.03700 28 3PZ -0.07133 0.03832 0.05523 -0.14731 -0.00923 29 4XX 0.47571 -0.10411 0.03142 0.04170 0.00459 30 4YY -0.03364 -0.10634 -0.09406 0.21274 0.00727 31 4ZZ -0.29280 0.09583 -0.04470 -0.04397 0.02348 32 4XY 0.11862 0.28168 -0.02175 -0.03895 0.04379 33 4XZ -0.01208 0.83034 0.15391 -0.11094 0.05389 34 4YZ -0.24385 -0.00494 -0.06081 0.08011 -0.01491 35 3 O 1S 0.01724 -0.01361 -0.00978 0.01643 -0.00651 36 2S 0.15352 -0.02200 -0.17999 0.29269 0.19052 37 2PX 0.00391 0.01177 0.03149 0.03591 -0.07360 38 2PY 0.06145 0.00757 0.02676 -0.00293 0.01761 39 2PZ -0.08451 -0.00917 0.02311 0.05003 0.10538 40 3S -0.49758 0.14754 0.59529 -0.80978 -0.07610 41 3PX 0.01821 0.13369 -0.13827 -0.05396 -0.08938 42 3PY -0.18618 0.08297 -0.06576 -0.13086 -0.14183 43 3PZ 0.14368 0.06281 0.04799 -0.18814 -0.18924 44 4XX -0.07119 -0.07193 0.04746 0.35343 0.01436 45 4YY -0.12153 0.04272 0.08490 -0.02766 0.08807 46 4ZZ 0.33467 -0.06956 -0.25381 -0.16108 -0.05116 47 4XY 0.27346 -0.05292 0.02313 -0.13425 0.03189 48 4XZ -0.17518 -0.09033 0.11855 0.03969 0.08231 49 4YZ -0.00067 0.04995 -0.20244 0.26275 0.00683 50 4 C 1S 0.00192 0.00713 0.00549 -0.00403 0.00817 51 2S 0.02427 0.14209 0.09424 -0.15019 -0.13073 52 2PX 0.03572 -0.03844 -0.01193 -0.04138 -0.03515 53 2PY 0.04408 0.03353 -0.09161 -0.08879 0.01996 54 2PZ -0.07262 -0.05318 0.01886 0.07432 -0.02271 55 3S 0.67292 -0.79510 -0.05107 0.50157 0.37102 56 3PX 0.03746 -0.11166 0.06387 0.19215 0.21480 57 3PY 0.11297 -0.68613 -0.36002 0.29256 0.27330 58 3PZ 0.09539 0.11320 0.07690 -0.15965 -0.12622 59 4XX -0.05642 0.00556 -0.04989 0.00328 0.02365 60 4YY -0.02825 -0.02643 0.20475 0.04117 -0.29692 61 4ZZ 0.05990 0.01531 -0.16352 -0.01100 0.26977 62 4XY -0.06804 0.05244 0.22777 0.29573 -0.03460 63 4XZ 0.13876 -0.01940 -0.26221 -0.27290 -0.11731 64 4YZ -0.04778 -0.04477 0.07433 -0.05154 0.03656 65 5 C 1S 0.00778 -0.01045 -0.02746 -0.00232 0.02101 66 2S -0.08754 -0.35770 0.21576 -0.04504 0.23797 67 2PX -0.02476 0.02061 -0.02711 0.04051 0.08770 68 2PY 0.04018 -0.10688 -0.00084 -0.04272 0.01559 69 2PZ 0.01635 -0.01403 0.18321 0.03866 -0.11234 70 3S -0.38627 1.15314 0.00061 -0.06338 -1.54103 71 3PX -0.36821 -0.06711 -0.55729 -0.21401 -0.08024 72 3PY -0.45521 0.24174 -0.02304 -0.03442 -0.26071 73 3PZ -0.85160 -0.00323 -0.12518 -0.18694 0.17110 74 4XX 0.20782 0.05930 0.11926 0.08840 -0.15495 75 4YY -0.22741 -0.03315 -0.17716 -0.12307 0.07476 76 4ZZ 0.03075 0.01164 -0.00531 0.01316 0.05767 77 4XY -0.01204 -0.06407 -0.01194 -0.01836 -0.13335 78 4XZ 0.11513 0.03536 0.09899 -0.06023 0.01806 79 4YZ -0.11003 0.05126 -0.05036 0.00798 -0.03408 80 6 C 1S -0.00446 -0.00428 -0.00618 0.00071 -0.02468 81 2S 0.15655 -0.09512 -0.04586 0.16638 -0.48917 82 2PX -0.01604 -0.00773 0.00304 0.03618 -0.05865 83 2PY 0.03218 0.02336 -0.01664 0.04573 0.14884 84 2PZ 0.01608 -0.01397 -0.06671 -0.04426 0.02120 85 3S 0.46243 0.47949 0.69864 0.24282 2.28280 86 3PX 2.13246 0.17103 1.39853 0.64992 1.14765 87 3PY -0.00826 0.47397 0.59934 0.28588 -0.31824 88 3PZ 1.49241 0.56261 1.39558 0.49598 0.46543 89 4XX 0.00667 -0.03725 0.04221 -0.15173 0.09042 90 4YY -0.13378 0.15017 -0.25737 0.23630 -0.03500 91 4ZZ 0.15151 -0.09352 0.21614 -0.08907 -0.10512 92 4XY 0.03560 -0.02172 0.08642 0.14595 -0.04966 93 4XZ -0.13434 -0.04226 -0.07953 -0.04684 0.24791 94 4YZ -0.06957 -0.09503 -0.08915 0.03233 0.03058 95 7 C 1S 0.01876 0.00120 0.00510 0.00861 -0.01159 96 2S 0.16834 -0.05811 0.16893 -0.02206 -0.14990 97 2PX -0.00011 -0.14610 0.08484 -0.04682 -0.04926 98 2PY -0.03203 -0.05173 -0.13033 0.02108 -0.12794 99 2PZ -0.07299 -0.03897 -0.01050 -0.03657 -0.06082 100 3S -1.57705 0.08850 -1.11139 -0.10298 0.25684 101 3PX -0.31336 0.87432 -0.21876 0.59169 -0.00410 102 3PY 2.18353 0.47709 2.13845 0.35709 2.51283 103 3PZ 0.98421 0.67875 0.83860 1.01572 1.39589 104 4XX 0.05959 0.11977 -0.01982 0.20751 -0.21954 105 4YY 0.09234 -0.08351 0.13072 -0.03151 0.29680 106 4ZZ -0.17132 0.02941 -0.12078 -0.17066 -0.13838 107 4XY -0.16948 -0.02780 0.08257 -0.02771 -0.06864 108 4XZ 0.11044 -0.01939 -0.16450 0.21757 0.14380 109 4YZ -0.11915 -0.06017 0.08256 -0.06939 0.15783 110 8 C 1S 0.01076 0.01351 -0.03569 0.04284 0.00424 111 2S -0.17382 -0.11648 0.03444 0.28781 -0.04770 112 2PX 0.04999 0.02185 -0.19784 0.15230 -0.05511 113 2PY 0.03360 -0.01929 -0.10746 -0.04905 0.14379 114 2PZ 0.07043 0.02267 0.07792 0.06401 0.06332 115 3S 0.63850 -0.70616 1.16676 -1.46454 0.35285 116 3PX -0.78411 0.36102 0.01044 -0.25847 -0.23970 117 3PY -0.44512 -0.05537 -0.14769 -0.31764 -1.02788 118 3PZ -0.67492 -0.16930 -0.60131 0.28262 -0.72262 119 4XX 0.18820 -0.00600 0.10871 -0.01172 0.05318 120 4YY -0.07107 0.04011 -0.31109 0.02639 -0.26531 121 4ZZ -0.10392 0.00115 0.23966 -0.02044 0.24139 122 4XY -0.02967 0.02591 0.10347 0.19730 0.17351 123 4XZ 0.14055 0.00525 -0.05736 0.36664 0.11559 124 4YZ -0.07823 -0.16571 0.13285 -0.17840 -0.12162 125 9 C 1S -0.00378 -0.00626 -0.00785 -0.00009 0.00386 126 2S 0.06485 -0.23902 0.16858 0.05704 0.12017 127 2PX -0.00959 -0.03200 0.04407 -0.01336 0.00199 128 2PY 0.01361 -0.10680 -0.01789 -0.08152 0.06530 129 2PZ -0.06897 0.01690 -0.01515 0.04170 -0.10680 130 3S -0.56600 0.95223 -0.14256 -0.25939 -0.85917 131 3PX 0.12627 -0.17812 -0.16655 0.13132 -0.11070 132 3PY 0.08178 0.39295 -0.12568 -0.04133 -0.17704 133 3PZ 0.38761 -0.60628 0.17801 0.34413 0.32052 134 4XX 0.03264 -0.02374 0.11619 -0.15935 0.10639 135 4YY 0.06943 0.08984 -0.30139 0.01344 0.13085 136 4ZZ -0.14631 -0.05354 0.20494 0.14053 -0.24529 137 4XY 0.00529 -0.02113 -0.25653 0.03150 -0.00044 138 4XZ 0.05342 0.00128 0.18488 0.12717 -0.07034 139 4YZ 0.08302 0.02872 0.03790 -0.20312 0.23506 140 10 H 1S 0.02597 -0.07840 -0.32858 -0.14166 0.24922 141 2S -0.06924 -0.18020 -0.06815 0.15272 0.01789 142 11 H 1S -0.12086 -0.10626 -0.04304 0.01139 0.16708 143 2S -0.38963 -0.07905 -0.09300 -0.11115 0.15878 144 12 H 1S 0.18888 0.11031 -0.16956 0.04653 0.10033 145 2S 0.26548 0.04437 0.16621 0.11079 0.46657 146 13 H 1S 0.09168 0.10434 -0.21487 -0.26797 0.28318 147 2S -0.11965 0.17752 0.01882 -0.05147 -0.10676 148 14 C 1S -0.00156 0.00087 0.00390 0.00037 -0.01034 149 2S 0.11663 0.05504 0.10855 0.11872 -0.07788 150 2PX 0.14743 0.04457 0.07337 0.12432 -0.10304 151 2PY -0.04864 -0.07225 0.00591 -0.01475 0.06704 152 2PZ 0.05639 -0.01442 0.07410 0.07065 -0.02980 153 3S 1.54009 0.03819 0.86432 0.35956 0.46742 154 3PX 0.64444 0.04115 0.40813 0.11265 0.11872 155 3PY -0.29269 -0.12539 -0.52162 -0.07501 -0.06150 156 3PZ 0.27343 -0.08928 -0.09868 0.09179 0.09535 157 4XX 0.01229 0.00216 0.04949 -0.12246 -0.03320 158 4YY -0.00229 -0.10594 -0.03996 -0.00657 -0.06857 159 4ZZ -0.01295 0.11647 -0.01759 0.17620 0.00336 160 4XY 0.13966 0.05836 0.03245 -0.07307 -0.18149 161 4XZ -0.01056 -0.02769 -0.02398 -0.09555 0.14633 162 4YZ -0.23699 0.06363 -0.19501 -0.07244 0.04847 163 15 H 1S 0.11652 0.11443 0.12558 -0.02865 -0.07313 164 2S 0.10162 0.02675 0.20029 0.05839 0.02202 165 16 H 1S 0.03861 -0.08640 0.04607 0.05675 0.00180 166 2S 0.02282 0.00274 -0.17409 0.01639 -0.04295 167 17 C 1S -0.00095 0.00572 0.00725 -0.00315 -0.00800 168 2S -0.14803 0.04379 -0.10220 0.01464 -0.25956 169 2PX 0.03754 0.01697 -0.04962 0.00663 -0.13610 170 2PY 0.13716 -0.03138 0.14313 -0.00115 0.31284 171 2PZ 0.10029 0.01010 0.01927 0.03268 0.02738 172 3S -1.05927 -0.41766 -1.27274 -0.25687 -1.60723 173 3PX -0.12708 -0.40832 -0.26346 -0.35483 -0.34888 174 3PY 0.46153 0.20089 0.51077 0.19568 0.67043 175 3PZ -0.03556 -0.22315 -0.07426 -0.37444 -0.20022 176 4XX -0.06779 0.00883 -0.09010 0.01276 0.07337 177 4YY 0.00321 -0.05432 0.03395 -0.10635 -0.00293 178 4ZZ 0.04816 0.09374 0.05205 0.10282 -0.16505 179 4XY 0.07630 0.05168 -0.11224 -0.06217 -0.28914 180 4XZ 0.11810 0.03876 0.08056 0.11846 0.23572 181 4YZ 0.16609 -0.01097 -0.02241 0.12299 0.15702 182 18 H 1S -0.17011 0.01777 0.08641 -0.03312 0.06301 183 2S 0.03831 0.14923 0.00851 0.17067 0.02689 184 19 H 1S 0.09777 -0.05023 -0.09895 -0.11620 -0.26406 185 2S -0.15178 -0.15088 -0.10254 -0.17760 -0.09726 141 142 143 144 145 V V V V V Eigenvalues -- 1.93065 1.97135 1.98633 2.02153 2.03499 1 1 S 1S -0.00325 -0.01021 0.00108 -0.01068 0.00981 2 2S 0.01024 0.06200 0.01197 0.00018 -0.03792 3 2PX 0.00317 -0.02912 -0.00202 -0.01109 0.01857 4 2PY 0.00285 0.00283 0.02847 0.01399 0.01827 5 2PZ 0.00973 0.03157 0.03358 0.01223 0.01624 6 3S -0.07384 -0.19972 0.07219 -0.37309 0.22498 7 3PX 0.00489 0.13571 0.01193 0.06455 -0.10839 8 3PY -0.01830 -0.06297 -0.15039 -0.03253 -0.06803 9 3PZ -0.03852 -0.13857 -0.18883 -0.04368 -0.07867 10 4S -0.21209 -0.93738 -0.36939 0.71725 0.38589 11 4PX 0.05699 0.34631 0.15248 -0.32711 -0.11933 12 4PY -0.01596 -0.16133 -0.20123 0.10051 0.10772 13 4PZ -0.04381 -0.08725 -0.11954 0.00578 -0.17188 14 5XX -0.04331 -0.00350 -0.04539 -0.01456 0.00274 15 5YY 0.05611 0.18591 -0.03193 -0.01234 -0.17159 16 5ZZ 0.00314 0.02273 0.07157 0.15215 0.06220 17 5XY -0.16092 -0.09224 0.03805 -0.01759 0.12659 18 5XZ 0.07236 0.24686 0.10464 -0.01981 -0.04149 19 5YZ -0.04568 -0.00228 -0.06914 -0.16383 -0.01955 20 2 O 1S -0.00520 -0.00536 -0.00611 0.00619 0.00170 21 2S -0.11812 -0.28919 -0.05255 0.16763 0.16480 22 2PX 0.00329 0.03792 -0.03253 -0.04374 0.03398 23 2PY 0.01653 0.05532 -0.01058 -0.02205 -0.05045 24 2PZ -0.05054 -0.01530 -0.01390 -0.04076 -0.01436 25 3S 0.26172 0.68482 0.24028 -0.45854 -0.39638 26 3PX -0.01160 -0.10707 0.03833 0.12927 -0.04977 27 3PY -0.04789 -0.17239 -0.00645 0.14673 0.14314 28 3PZ 0.10602 0.07439 0.08034 0.03954 0.03964 29 4XX 0.13489 0.14543 -0.07314 -0.02624 0.09637 30 4YY -0.17047 -0.00728 -0.18072 -0.16696 -0.20314 31 4ZZ -0.04994 -0.25897 0.20165 0.25481 0.16094 32 4XY -0.38018 -0.24106 -0.03718 -0.12514 0.19659 33 4XZ -0.00629 0.00548 0.18360 0.04503 -0.09184 34 4YZ -0.17545 0.00616 -0.18508 -0.31022 -0.20818 35 3 O 1S 0.01002 -0.01727 -0.00021 -0.00444 0.01099 36 2S -0.16452 0.00773 -0.09476 0.23648 0.13511 37 2PX 0.11718 -0.11141 0.14629 -0.12054 0.04926 38 2PY -0.05994 -0.00553 0.04258 -0.09739 0.05533 39 2PZ -0.03012 0.07903 0.09405 0.05215 -0.00198 40 3S 0.05606 0.58118 0.40074 -0.40747 -0.33782 41 3PX -0.04093 -0.00074 -0.50480 0.11996 -0.16464 42 3PY 0.12455 0.01112 -0.12908 0.15257 -0.24422 43 3PZ 0.03677 0.00571 -0.21293 -0.05638 0.00609 44 4XX 0.04759 -0.02389 0.10351 -0.05934 -0.12238 45 4YY 0.23775 -0.07626 0.08908 0.20782 0.14916 46 4ZZ -0.29872 0.04733 -0.22479 -0.06494 0.08245 47 4XY 0.02917 -0.02103 -0.02252 0.00865 -0.03166 48 4XZ -0.22687 0.06698 0.03094 0.00277 -0.08420 49 4YZ 0.17854 0.07984 -0.12389 0.17895 -0.10363 50 4 C 1S 0.00017 -0.00310 -0.00692 -0.02615 -0.03303 51 2S -0.03695 -0.40322 -0.38217 -0.74303 -0.14697 52 2PX 0.04937 -0.07320 0.08283 -0.06168 -0.09980 53 2PY 0.03650 -0.11874 -0.02529 -0.25937 -0.11464 54 2PZ 0.00196 0.00620 0.18862 0.09982 -0.16827 55 3S -0.32583 1.36496 1.61447 2.38936 -0.35856 56 3PX -0.09615 0.37057 0.16960 0.78241 -0.22730 57 3PY -0.00389 0.75496 1.24363 1.81542 -0.27303 58 3PZ -0.22669 -0.08264 -0.61453 0.18169 -0.23351 59 4XX -0.00751 -0.13542 0.10152 -0.10151 -0.31020 60 4YY -0.09791 0.01206 -0.18205 0.16531 0.10687 61 4ZZ 0.15629 0.13078 0.14027 -0.01327 0.01778 62 4XY -0.14499 0.06979 -0.15932 0.17028 0.19320 63 4XZ -0.12079 0.01202 0.08798 -0.01784 0.33822 64 4YZ 0.02015 -0.03193 -0.01367 -0.07507 0.17804 65 5 C 1S -0.00471 0.03411 0.05055 -0.02604 0.01094 66 2S -0.28343 0.07153 0.53274 -0.04312 0.34668 67 2PX -0.14845 0.15869 -0.06951 -0.00023 0.07057 68 2PY 0.04311 -0.04934 0.16611 0.19409 -0.02465 69 2PZ 0.00114 -0.08493 0.00374 -0.14215 0.07378 70 3S 1.03327 -1.51851 -2.44149 0.74935 -1.00561 71 3PX -0.03378 -0.62625 0.23008 -0.53403 0.03239 72 3PY 0.46784 -0.51511 0.02364 -0.05156 0.14798 73 3PZ -0.02926 -0.44658 0.22323 -0.29449 -0.42127 74 4XX 0.08609 -0.05091 -0.02080 -0.35668 -0.01579 75 4YY -0.05446 0.04579 0.04340 0.13361 0.17005 76 4ZZ -0.00750 0.03947 -0.07395 0.24123 -0.21102 77 4XY 0.15136 -0.23405 0.01798 0.24886 0.06118 78 4XZ -0.16819 0.13773 -0.18484 0.15100 0.01307 79 4YZ 0.00611 -0.15425 -0.36283 0.09907 -0.09590 80 6 C 1S 0.00645 0.01378 0.01224 0.00816 -0.00038 81 2S 0.33213 -0.19681 0.48897 0.37974 0.01882 82 2PX 0.18590 -0.24174 0.05430 0.18963 -0.02194 83 2PY -0.12492 0.00895 0.02509 -0.19320 0.04074 84 2PZ 0.03169 -0.08839 0.10053 0.07205 0.06306 85 3S -0.30961 0.48473 -1.12725 -0.75408 0.29882 86 3PX -0.71813 2.11410 -0.98669 -1.53736 0.41800 87 3PY 0.91589 -0.19134 -0.80588 1.07497 -0.42608 88 3PZ 0.04102 0.83430 -1.33947 -0.67694 0.21904 89 4XX 0.08274 -0.13146 -0.12516 0.10808 -0.02839 90 4YY -0.01596 0.30286 0.04592 -0.23693 0.13847 91 4ZZ -0.06894 -0.05568 0.10682 0.06332 -0.12713 92 4XY 0.07508 0.05942 0.12229 0.04551 0.07531 93 4XZ -0.01450 -0.20444 -0.09285 0.07422 0.03952 94 4YZ -0.23011 0.07487 0.19585 -0.01940 -0.08195 95 7 C 1S 0.00630 0.02153 -0.00075 0.00009 0.00158 96 2S 0.54828 0.32523 -0.50202 -0.13083 0.19239 97 2PX 0.13092 0.06744 0.03049 -0.13288 0.05536 98 2PY -0.21499 0.08026 0.18799 0.10148 -0.17599 99 2PZ -0.00352 0.04398 0.12259 -0.06625 0.02163 100 3S -0.98385 -2.10407 0.88416 0.77017 0.11351 101 3PX -0.55474 -0.73857 -0.86545 0.85756 -0.21878 102 3PY 0.82341 0.60873 -1.16552 -1.47848 0.84411 103 3PZ -0.05985 0.40675 -1.22543 0.16476 0.12378 104 4XX -0.03971 -0.02266 -0.01949 -0.02490 -0.20209 105 4YY 0.07073 -0.17612 0.03212 -0.15763 0.07540 106 4ZZ -0.06848 0.24355 0.04950 0.22064 0.07918 107 4XY 0.07671 0.14747 -0.12500 -0.07112 -0.01272 108 4XZ -0.23184 0.09186 0.02281 0.10886 -0.05928 109 4YZ -0.01663 -0.10644 -0.08422 -0.12388 0.03047 110 8 C 1S -0.02059 -0.02740 -0.03441 0.03087 0.00168 111 2S -0.34897 -0.54574 -0.88055 0.36447 0.29534 112 2PX -0.05279 -0.08971 0.12287 0.04425 -0.05235 113 2PY 0.24282 -0.00210 -0.00430 -0.18408 0.09086 114 2PZ -0.07704 0.10952 0.24273 0.03249 -0.11037 115 3S 1.30543 2.10218 2.60368 -1.39516 -0.77809 116 3PX -0.28140 -0.08973 -0.44447 0.16826 0.26340 117 3PY -0.29648 -0.00751 -0.07431 -0.17252 0.49305 118 3PZ -0.12315 -1.08198 -0.42646 0.00361 0.36909 119 4XX -0.12381 -0.15164 0.07984 0.07705 -0.22366 120 4YY 0.05356 -0.17053 -0.02849 -0.13832 0.00380 121 4ZZ 0.07644 0.39956 0.05137 0.02011 0.16199 122 4XY 0.25023 -0.12100 0.01287 -0.17298 0.14127 123 4XZ -0.10016 -0.23547 0.16183 -0.13220 0.20927 124 4YZ -0.15150 -0.03314 0.21324 -0.17566 -0.04415 125 9 C 1S 0.00349 0.00133 0.01848 0.00596 -0.04973 126 2S -0.31631 0.10714 0.32594 0.38034 -0.71398 127 2PX 0.02514 -0.00816 0.04028 0.01759 0.11194 128 2PY -0.15709 0.04594 0.16577 0.08693 0.03134 129 2PZ 0.05842 -0.03273 -0.00978 -0.06043 0.29245 130 3S 0.12199 -1.03483 -1.73236 -1.96075 1.97522 131 3PX -0.22929 0.17070 0.23630 0.47281 -0.41171 132 3PY -0.00975 -0.11208 -0.82179 0.04813 0.20410 133 3PZ -0.39842 0.62271 1.20602 1.35386 -1.38053 134 4XX 0.05415 -0.07308 0.05160 -0.01380 -0.36292 135 4YY 0.19949 0.05179 -0.07244 -0.02844 -0.00838 136 4ZZ -0.21104 0.01224 0.02455 -0.02198 0.24511 137 4XY 0.06341 0.01120 0.06083 0.05881 0.22160 138 4XZ 0.00154 -0.00519 -0.02639 0.08354 0.30251 139 4YZ -0.13647 0.22497 -0.08206 0.00375 0.07901 140 10 H 1S 0.16254 0.01107 0.28506 -0.00500 -0.13901 141 2S 0.01764 0.17667 0.29302 0.59993 -0.06452 142 11 H 1S -0.01535 0.07572 0.56185 -0.44747 0.11843 143 2S -0.04444 -0.19349 0.26602 -0.09387 -0.00906 144 12 H 1S -0.04028 0.03945 -0.33040 0.36084 -0.19931 145 2S 0.02417 0.13883 0.08829 -0.01222 -0.07928 146 13 H 1S 0.14670 0.05612 -0.14301 -0.11225 -0.08515 147 2S 0.14854 -0.14610 -0.34563 -0.33066 0.41228 148 14 C 1S 0.00875 0.00566 0.01012 -0.00154 0.00067 149 2S 0.00937 0.20243 0.03541 -0.11118 0.02244 150 2PX -0.02478 0.21283 0.02310 -0.10446 0.03472 151 2PY -0.00092 -0.07324 0.08844 0.02642 -0.00346 152 2PZ -0.02984 0.08882 0.07177 -0.05464 -0.00040 153 3S -0.56608 1.19563 -0.75900 -0.94598 0.28714 154 3PX -0.13430 0.28225 -0.32517 -0.29079 0.07994 155 3PY -0.44780 -0.20389 0.35282 0.12386 0.06857 156 3PZ -0.32970 0.20383 0.03387 -0.05917 0.07355 157 4XX -0.01125 -0.13119 -0.06641 0.07861 0.05565 158 4YY -0.10517 0.00461 0.21434 0.01557 -0.06810 159 4ZZ 0.12108 0.20680 -0.05657 -0.13207 0.01918 160 4XY 0.01945 0.12127 -0.08861 -0.14123 0.02948 161 4XZ 0.03107 -0.12626 -0.23149 0.03304 -0.02781 162 4YZ -0.03626 -0.04386 -0.03391 -0.08046 0.04973 163 15 H 1S 0.18909 0.10002 -0.21883 -0.11304 0.01660 164 2S 0.13885 0.00111 -0.00903 -0.00608 -0.05308 165 16 H 1S -0.08109 -0.06838 0.16469 0.16900 -0.01454 166 2S -0.16777 0.01327 0.05523 -0.04133 0.03359 167 17 C 1S 0.00791 0.00442 -0.00485 0.00088 0.00186 168 2S -0.00545 0.05700 -0.00391 0.13385 -0.00970 169 2PX -0.02865 0.01519 0.05475 0.02113 -0.00596 170 2PY 0.02983 -0.11623 -0.02314 -0.12026 0.06155 171 2PZ -0.00370 -0.03346 0.04368 -0.03896 -0.00214 172 3S -0.45934 -0.10468 0.67132 0.75251 -0.65215 173 3PX 0.30073 0.03436 0.43535 0.03972 -0.17661 174 3PY 0.05709 0.10076 -0.19303 -0.15322 0.17049 175 3PZ 0.22797 -0.14014 0.29581 -0.01492 -0.04850 176 4XX -0.04097 0.21181 -0.03194 0.10654 0.00101 177 4YY 0.01840 -0.21162 0.02952 -0.08243 0.06349 178 4ZZ 0.02188 0.08980 -0.01555 0.01994 -0.09961 179 4XY -0.02963 -0.07851 0.10701 0.09754 -0.08227 180 4XZ -0.15141 -0.09516 0.01461 0.08384 -0.07591 181 4YZ -0.00242 -0.03734 0.09965 0.07009 -0.01581 182 18 H 1S 0.03140 0.08070 -0.17740 -0.15477 0.14848 183 2S -0.11405 0.00622 -0.13873 0.02687 0.01184 184 19 H 1S 0.12212 -0.10096 0.16051 0.01409 -0.03110 185 2S 0.15800 0.02303 0.09591 -0.02250 -0.03307 146 147 148 149 150 V V V V V Eigenvalues -- 2.05121 2.09030 2.12165 2.15837 2.17264 1 1 S 1S -0.00175 0.00489 -0.00580 -0.00378 -0.00386 2 2S 0.03456 -0.01346 0.01363 -0.05174 0.01507 3 2PX -0.03617 -0.00384 0.00677 0.05027 -0.02068 4 2PY 0.00815 0.00619 -0.01448 -0.00762 -0.00733 5 2PZ 0.03796 -0.00217 -0.00345 0.02332 0.00436 6 3S 0.01818 0.14266 -0.15831 -0.25891 -0.06946 7 3PX 0.14027 0.00789 -0.01812 -0.18707 0.12828 8 3PY -0.07109 -0.00785 0.05802 0.04307 0.05413 9 3PZ -0.15368 0.03957 0.02358 -0.11739 0.00731 10 4S -0.63887 -0.15586 0.24951 1.39938 -0.38117 11 4PX 0.30499 0.07055 -0.08478 -0.69397 0.18359 12 4PY -0.15666 -0.13091 0.17094 0.21193 0.00842 13 4PZ -0.08452 0.00979 0.04560 -0.15582 0.03104 14 5XX 0.07560 -0.06772 0.06496 0.04212 -0.06432 15 5YY -0.13886 -0.11478 -0.06595 -0.22718 -0.08430 16 5ZZ 0.15397 0.08534 0.06803 0.14964 0.12992 17 5XY 0.21131 0.07463 -0.18479 -0.28165 -0.08766 18 5XZ -0.02589 -0.09998 0.02688 0.13923 0.00423 19 5YZ -0.19403 -0.07032 -0.10003 -0.07680 -0.06157 20 2 O 1S -0.00006 -0.00021 0.00127 0.01210 -0.00441 21 2S -0.22230 -0.06867 0.07387 0.32531 -0.04366 22 2PX 0.09841 0.02266 -0.03379 -0.09020 -0.00559 23 2PY 0.00215 -0.01040 -0.00057 -0.05030 -0.01158 24 2PZ -0.08056 -0.01958 -0.01300 -0.02053 -0.01325 25 3S 0.48899 0.17936 -0.21405 -0.92054 0.16831 26 3PX -0.25341 -0.06691 0.09582 0.32330 -0.01403 27 3PY -0.04392 -0.00348 0.03250 0.24191 -0.01703 28 3PZ 0.22241 0.06665 0.01004 0.02965 0.05787 29 4XX 0.04162 0.08758 -0.10624 -0.01374 -0.02770 30 4YY -0.43538 -0.17860 -0.01814 -0.08190 -0.10321 31 4ZZ 0.34731 0.08396 0.14149 0.25137 0.09839 32 4XY 0.45715 0.16153 -0.22492 -0.55971 -0.03970 33 4XZ -0.28767 -0.07084 0.08638 0.21315 0.02286 34 4YZ -0.31005 -0.15176 -0.09650 -0.28515 -0.11935 35 3 O 1S -0.00739 0.00257 -0.00099 0.00959 -0.00806 36 2S -0.07637 -0.02555 -0.18686 0.25348 -0.08162 37 2PX 0.01379 0.00525 0.02314 0.01973 -0.14569 38 2PY 0.02443 -0.08642 0.05681 0.08627 -0.07807 39 2PZ 0.03789 -0.05652 -0.02123 -0.03583 -0.04735 40 3S 0.31809 -0.09203 0.45071 -0.75184 0.39042 41 3PX -0.06434 0.10039 -0.06434 -0.14112 0.29714 42 3PY -0.03531 0.26595 -0.17501 -0.34850 0.26882 43 3PZ -0.06704 0.11595 0.10979 0.00218 0.28150 44 4XX 0.19581 -0.05787 0.16289 0.14074 -0.19209 45 4YY -0.13780 -0.06153 -0.23272 -0.39382 -0.01257 46 4ZZ -0.12424 0.12957 0.02910 0.36076 0.19975 47 4XY 0.01773 -0.18000 0.26643 -0.02709 -0.21640 48 4XZ 0.13087 -0.11605 0.06164 0.17756 0.09178 49 4YZ -0.04329 0.21842 -0.05068 -0.05193 0.13015 50 4 C 1S 0.01004 0.01205 -0.00822 0.00515 0.00572 51 2S 0.09425 -0.18092 -0.04773 0.33670 0.10375 52 2PX -0.00777 0.00606 -0.01940 0.02054 0.01095 53 2PY 0.05849 -0.11002 -0.04483 0.09022 0.07162 54 2PZ -0.01692 0.10266 -0.14392 0.00768 -0.01848 55 3S -0.31940 0.15250 0.03076 -0.77469 0.54430 56 3PX 0.08887 0.05005 0.04479 -0.20112 0.11527 57 3PY -0.19891 0.23234 -0.24782 -0.56219 0.44401 58 3PZ -0.01173 0.09226 0.02467 0.02821 0.23054 59 4XX 0.13854 0.00698 -0.12463 -0.00433 0.06184 60 4YY -0.20353 0.14592 -0.10394 -0.03061 0.08499 61 4ZZ 0.09485 -0.09462 0.14830 -0.01456 -0.12303 62 4XY 0.11323 -0.06738 0.26527 0.04307 -0.20497 63 4XZ -0.20909 -0.03445 -0.01879 0.02783 -0.03375 64 4YZ 0.02491 -0.24708 0.15592 -0.06993 0.19946 65 5 C 1S 0.00827 -0.02296 0.02390 0.01137 -0.02063 66 2S -0.16843 -0.33707 -0.03083 0.08630 0.25584 67 2PX -0.04032 -0.01710 -0.08108 0.04631 0.20143 68 2PY -0.07559 0.00099 -0.12145 -0.06014 0.06224 69 2PZ -0.01972 -0.09612 0.02278 0.00712 0.09825 70 3S -0.12066 1.06836 -0.92390 -0.63981 0.23453 71 3PX 0.02589 -0.07736 -0.20254 0.27103 -0.53973 72 3PY 0.09343 -0.29963 -0.00205 -0.26919 -0.34814 73 3PZ 0.46740 -0.13384 -0.00180 0.08648 -0.64416 74 4XX 0.06030 0.00974 0.05201 0.01284 -0.15186 75 4YY -0.01240 -0.26094 -0.09687 0.03114 0.11693 76 4ZZ -0.00584 0.23432 0.05735 -0.06797 0.01821 77 4XY -0.06689 -0.04032 0.00634 -0.01200 -0.21614 78 4XZ -0.05750 0.08631 -0.16392 0.03043 0.03694 79 4YZ 0.08351 -0.09681 0.06651 -0.03457 0.16469 80 6 C 1S 0.01032 -0.01701 0.00140 -0.01526 0.00682 81 2S -0.24138 0.16446 -0.18972 -0.28632 -0.16552 82 2PX -0.10792 -0.01902 -0.17259 -0.01223 0.05581 83 2PY 0.04729 -0.11982 0.10632 0.04526 0.04086 84 2PZ -0.07819 -0.10309 -0.13274 0.02659 0.01041 85 3S -0.45795 0.62641 0.79150 0.56366 0.82950 86 3PX 0.24781 1.14824 1.76950 0.56527 -0.40285 87 3PY -0.41681 1.16504 -0.23887 -0.83460 0.48404 88 3PZ -0.40440 1.35241 1.14969 0.09987 -0.13082 89 4XX 0.03671 -0.11919 -0.09822 0.07689 -0.15221 90 4YY 0.06741 0.16058 -0.03748 0.08299 0.10712 91 4ZZ -0.05059 -0.03390 0.26556 -0.21321 0.08045 92 4XY -0.01279 0.03223 -0.12047 -0.03898 0.09295 93 4XZ 0.00811 -0.03960 -0.07590 0.08840 0.12321 94 4YZ -0.06818 0.07876 0.13020 -0.00161 0.00114 95 7 C 1S -0.00583 0.00763 0.01975 -0.00153 0.00905 96 2S 0.13534 -0.06700 0.06801 0.04307 -0.31438 97 2PX 0.06383 -0.04639 -0.02924 0.00402 0.03125 98 2PY 0.06399 -0.09288 0.00129 -0.10692 0.03529 99 2PZ 0.02293 -0.09339 -0.10402 0.02928 -0.01103 100 3S -0.16209 -0.87459 -0.85280 0.31610 -0.50336 101 3PX -0.69892 0.85408 0.03539 -0.24777 -0.14725 102 3PY -0.49441 0.82824 2.06206 0.43474 0.21145 103 3PZ -0.48429 1.32418 0.62919 0.15223 -0.13533 104 4XX 0.18270 -0.11401 0.03324 0.08760 0.02362 105 4YY -0.07720 0.11349 0.08503 -0.04010 0.14737 106 4ZZ -0.12036 -0.09059 -0.09149 -0.09363 -0.16817 107 4XY 0.12935 -0.04055 0.12964 -0.06195 0.09948 108 4XZ 0.08485 -0.16757 0.03766 0.05580 -0.00201 109 4YZ 0.03585 0.00459 -0.05084 0.15654 -0.01124 110 8 C 1S -0.00807 0.00015 0.00755 0.01705 -0.04222 111 2S -0.25400 0.43212 0.04575 0.33177 -0.46960 112 2PX -0.00218 -0.06506 -0.02560 -0.01637 0.03562 113 2PY 0.06062 -0.15032 0.04146 -0.02174 0.00495 114 2PZ -0.01937 -0.07178 -0.06007 -0.03031 0.06244 115 3S 1.00088 -0.68726 0.08815 -0.87954 1.67353 116 3PX 0.09810 0.32305 -0.63866 0.10912 -0.75365 117 3PY 0.02492 0.25107 -0.29747 0.13580 -0.46521 118 3PZ -0.23974 0.21353 -0.27006 0.45755 -0.45529 119 4XX -0.07148 0.01940 0.39676 -0.09765 0.17161 120 4YY 0.12760 -0.21051 -0.11249 0.14808 -0.01558 121 4ZZ -0.03607 0.13552 -0.25519 -0.09477 -0.14913 122 4XY -0.18622 -0.02576 0.06567 -0.11215 0.14043 123 4XZ -0.20283 0.21457 -0.09167 0.16486 0.06435 124 4YZ 0.06472 0.00017 -0.21117 0.17365 -0.12987 125 9 C 1S 0.00705 0.00435 -0.01426 -0.00122 0.01285 126 2S 0.07321 0.44277 -0.27736 0.00162 0.07421 127 2PX -0.01968 -0.06474 0.04583 -0.01014 -0.00835 128 2PY -0.01289 0.06752 -0.02026 0.01950 -0.05690 129 2PZ -0.05957 -0.18193 0.06796 0.01142 0.01387 130 3S -0.11115 -0.41087 0.33798 0.63044 -1.18647 131 3PX -0.08291 0.11896 -0.03239 -0.17754 0.30934 132 3PY -0.06316 -0.00084 0.03929 0.12352 -0.34171 133 3PZ 0.20671 0.23583 -0.21353 -0.37515 0.51380 134 4XX -0.01237 0.17521 0.02643 -0.03237 -0.01355 135 4YY 0.23133 -0.14933 -0.06597 0.04717 -0.13449 136 4ZZ -0.21038 0.00295 -0.02523 -0.00525 0.12472 137 4XY -0.16333 -0.07330 0.27558 -0.26669 0.12107 138 4XZ 0.10324 -0.11756 0.06925 0.11096 -0.23849 139 4YZ 0.03496 0.03358 0.15359 -0.06420 0.05023 140 10 H 1S 0.08304 -0.07943 -0.05370 -0.06109 0.09833 141 2S -0.05861 0.09798 -0.11367 -0.15272 0.07647 142 11 H 1S 0.08602 -0.12393 0.13044 0.08849 -0.27787 143 2S 0.16936 -0.24516 0.09029 0.00444 -0.27804 144 12 H 1S 0.04864 -0.15602 0.27197 -0.09462 0.03018 145 2S -0.03726 -0.09292 0.20580 -0.08740 0.20314 146 13 H 1S 0.05969 0.04602 0.07653 -0.04812 -0.00296 147 2S -0.09977 -0.05217 0.00127 0.13110 -0.16693 148 14 C 1S 0.00335 -0.01797 -0.01425 -0.00738 0.03370 149 2S 0.01293 -0.07148 -0.06358 -0.02566 0.29401 150 2PX 0.00473 0.03288 0.02557 -0.01211 0.06542 151 2PY -0.01330 -0.01271 -0.00539 -0.00606 -0.00222 152 2PZ 0.00157 0.02065 0.03139 -0.01934 0.06143 153 3S 0.10193 1.17243 1.54063 0.39488 -1.28592 154 3PX 0.01292 0.25836 0.32658 0.27407 -0.37653 155 3PY 0.12239 -0.80260 -0.15316 0.17375 0.08032 156 3PZ 0.18726 -0.28396 0.14980 0.18114 -0.08322 157 4XX -0.07920 -0.21755 -0.26849 0.19629 -0.03824 158 4YY -0.06587 0.21843 0.29180 -0.18806 -0.14863 159 4ZZ 0.13921 0.03174 -0.00859 -0.06071 0.21964 160 4XY 0.00320 -0.03736 -0.09970 0.07879 -0.09697 161 4XZ 0.01749 0.12076 0.08413 0.04678 -0.19104 162 4YZ -0.10565 0.37555 0.19146 0.03674 -0.54537 163 15 H 1S 0.04778 -0.06035 -0.21607 0.06137 0.15745 164 2S -0.07757 0.26015 0.02646 -0.05465 0.00423 165 16 H 1S 0.05889 -0.45860 -0.20768 0.00262 0.44146 166 2S 0.06061 -0.21993 -0.03729 0.13327 -0.03478 167 17 C 1S 0.00189 0.01148 0.01506 0.00146 0.00699 168 2S 0.04569 0.07205 0.01205 0.02448 0.06451 169 2PX 0.01049 0.00181 -0.04063 0.01697 -0.02847 170 2PY -0.06258 0.00331 0.05246 0.01934 -0.01771 171 2PZ -0.01760 0.01082 0.00562 -0.00164 -0.00443 172 3S 0.28606 -0.68341 -1.44082 -0.46849 -0.23981 173 3PX 0.35669 -0.57257 -0.42428 -0.01526 0.05124 174 3PY -0.12368 0.05043 0.43602 0.10686 -0.10296 175 3PZ 0.17956 -0.57544 -0.03712 -0.07808 0.06492 176 4XX -0.02003 -0.11574 -0.03239 -0.04579 -0.14569 177 4YY -0.08707 0.14065 0.12093 -0.04800 0.22253 178 4ZZ 0.13377 -0.07187 -0.06208 0.06706 -0.10380 179 4XY 0.01301 -0.11745 0.10020 -0.12799 0.00395 180 4XZ -0.08276 -0.41919 -0.08604 -0.16933 -0.22297 181 4YZ -0.04545 -0.00693 -0.35958 0.15419 -0.19994 182 18 H 1S -0.02890 0.40455 0.26276 0.08421 0.21236 183 2S -0.08850 0.22289 0.05449 0.02958 -0.04041 184 19 H 1S 0.07989 0.06393 -0.02432 0.07959 0.08759 185 2S 0.15000 -0.25581 -0.09043 -0.02184 0.08157 151 152 153 154 155 V V V V V Eigenvalues -- 2.17347 2.19934 2.22017 2.25082 2.30335 1 1 S 1S -0.00470 -0.00950 0.00037 -0.00274 -0.00328 2 2S 0.01669 0.01945 -0.01066 -0.00629 0.02940 3 2PX -0.00896 -0.01820 0.00686 -0.00848 -0.00292 4 2PY -0.00633 -0.00487 0.00681 -0.02894 -0.01326 5 2PZ -0.00367 0.03836 0.01044 -0.02986 -0.03022 6 3S -0.12650 -0.28835 -0.02378 -0.08316 -0.04668 7 3PX 0.05644 0.13032 -0.03243 0.06916 -0.01225 8 3PY 0.01436 0.02200 -0.03758 0.15362 0.05131 9 3PZ -0.02299 -0.18779 -0.08382 0.12497 0.17380 10 4S -0.26248 -0.21357 0.28460 0.11607 -0.13265 11 4PX 0.10304 0.10213 -0.08809 -0.08192 -0.00401 12 4PY -0.02786 0.09357 0.04828 0.08524 -0.06497 13 4PZ 0.07539 -0.13363 0.01761 0.09038 0.03116 14 5XX 0.03206 0.04395 0.05830 0.01852 0.03950 15 5YY 0.19637 0.02997 -0.01799 -0.04780 -0.00188 16 5ZZ -0.15009 0.05871 -0.02586 -0.02593 0.05727 17 5XY -0.00949 -0.03812 0.11562 -0.08885 -0.09659 18 5XZ 0.03424 0.17621 0.04135 -0.14836 -0.09973 19 5YZ 0.15964 0.02299 -0.03543 -0.06144 -0.05264 20 2 O 1S -0.00321 -0.00241 0.00180 0.00375 -0.00420 21 2S -0.03442 0.01851 0.05227 -0.00666 -0.00706 22 2PX -0.01641 0.00230 0.01044 0.02754 -0.03987 23 2PY 0.02127 -0.00312 -0.00035 0.00153 0.01811 24 2PZ 0.03949 -0.01581 0.00737 0.00177 0.00377 25 3S 0.14144 -0.02865 -0.15951 -0.06132 0.09952 26 3PX 0.01819 -0.01323 -0.01592 -0.04442 0.08555 27 3PY -0.08939 0.00934 0.04089 0.01525 -0.06082 28 3PZ -0.10852 0.05235 -0.02760 -0.03418 -0.00003 29 4XX -0.03815 -0.02131 -0.00461 0.06499 -0.06165 30 4YY 0.24365 -0.04853 -0.02380 -0.00764 0.02984 31 4ZZ -0.23302 0.05453 0.04167 -0.03579 0.00162 32 4XY 0.01102 -0.05986 0.08028 0.02443 -0.03304 33 4XZ 0.06518 0.00166 -0.03197 -0.00797 0.05514 34 4YZ 0.22415 -0.07645 -0.00245 0.03366 -0.02979 35 3 O 1S -0.00513 -0.00898 0.00684 -0.01475 -0.00470 36 2S 0.05522 -0.06882 0.09158 0.09925 -0.07117 37 2PX -0.03786 -0.07480 0.05410 -0.17085 -0.00526 38 2PY -0.02164 0.00481 0.07378 -0.00075 -0.06765 39 2PZ 0.07655 0.00436 0.05515 -0.00893 -0.00756 40 3S 0.18046 0.75315 -0.30511 -0.16736 -0.14134 41 3PX -0.01428 -0.15297 -0.14037 0.55393 0.17677 42 3PY 0.04222 -0.02549 -0.23753 -0.03036 0.25053 43 3PZ -0.11688 0.27193 -0.23653 0.10965 -0.09134 44 4XX 0.00833 0.02032 0.29072 -0.26808 0.10037 45 4YY 0.20118 -0.08094 -0.02135 0.12962 -0.05069 46 4ZZ -0.21719 0.04504 -0.23358 0.07263 -0.10226 47 4XY 0.02420 -0.20976 0.09435 0.30635 0.02051 48 4XZ -0.02586 0.15854 0.09341 0.14439 0.14052 49 4YZ 0.01762 -0.10559 -0.19424 -0.05524 0.20934 50 4 C 1S -0.01829 -0.00062 0.01712 0.02285 0.02078 51 2S -0.40681 0.19174 0.12970 0.33881 0.02481 52 2PX -0.05488 -0.03185 -0.02492 0.06071 -0.04823 53 2PY -0.09156 0.13308 0.00036 0.09406 -0.10200 54 2PZ 0.00083 -0.14672 -0.03068 -0.01887 -0.04200 55 3S 1.59860 1.49176 -0.48174 -1.13043 -1.92021 56 3PX 0.52190 0.28384 -0.19239 0.00376 -0.12176 57 3PY 0.96467 0.74497 -0.39683 -0.79195 -0.89197 58 3PZ -0.08738 0.01751 0.03677 0.18039 0.26245 59 4XX 0.00453 0.02038 -0.03845 0.22655 0.32075 60 4YY -0.11167 0.19148 0.23841 -0.22940 -0.06610 61 4ZZ 0.10699 -0.18159 -0.14149 0.01317 -0.26026 62 4XY 0.17738 -0.12182 -0.13375 0.05508 0.09442 63 4XZ 0.07355 -0.14709 -0.14293 -0.16244 0.05249 64 4YZ 0.06322 0.11504 -0.09499 0.16198 -0.05061 65 5 C 1S 0.00691 0.03109 0.01478 -0.07519 -0.03610 66 2S 0.19064 1.00507 -0.21907 -0.29507 -0.50862 67 2PX 0.02808 0.13924 -0.05705 0.11122 -0.02361 68 2PY 0.07522 0.05889 -0.14342 0.01111 -0.09241 69 2PZ -0.03116 0.17645 0.02198 0.06129 0.01962 70 3S -0.79773 -2.76107 0.09066 2.27506 2.13970 71 3PX -0.46479 -1.03255 0.19235 -0.62590 0.65849 72 3PY -0.15641 -1.38872 0.13029 0.66229 0.52233 73 3PZ -0.47491 -1.68722 0.23901 -0.13121 1.24607 74 4XX 0.00542 0.14674 0.20062 -0.24677 -0.07589 75 4YY -0.01543 -0.07284 0.02809 0.22455 0.01990 76 4ZZ -0.02002 -0.21611 -0.16227 0.01536 0.15306 77 4XY -0.01339 0.00565 0.11642 -0.02245 -0.02737 78 4XZ 0.10715 0.33442 0.13948 0.00016 -0.03560 79 4YZ -0.07044 0.10070 -0.04597 0.18743 0.16108 80 6 C 1S -0.01638 -0.03022 -0.02129 0.04005 0.02225 81 2S -0.17301 0.00195 -0.31488 -0.02591 0.24953 82 2PX 0.07403 -0.09758 -0.05532 -0.31952 -0.14790 83 2PY -0.05347 0.04167 -0.08765 0.16902 0.07591 84 2PZ 0.01482 -0.04587 0.00357 -0.06234 -0.08651 85 3S 1.37092 2.30576 1.33299 -0.44145 -1.26478 86 3PX 0.91966 2.85607 0.45854 0.85195 -2.40097 87 3PY 0.73994 0.17897 0.23079 0.73045 -0.39862 88 3PZ 0.94148 1.96868 0.78547 1.36293 -1.72902 89 4XX 0.00145 -0.06640 0.18637 0.18174 -0.05565 90 4YY -0.02449 0.04056 -0.10481 -0.09436 -0.09100 91 4ZZ 0.01138 0.07480 -0.06869 0.14836 0.22265 92 4XY 0.05816 0.11166 -0.08639 0.29550 -0.17469 93 4XZ 0.19388 0.00672 -0.06412 -0.24329 -0.13297 94 4YZ 0.01850 -0.00681 0.34902 -0.12254 0.10977 95 7 C 1S 0.00111 0.01120 0.01166 0.01916 -0.04122 96 2S -0.24710 0.24265 -0.09080 0.34178 -0.39888 97 2PX 0.00799 0.07835 -0.01976 -0.00863 0.13999 98 2PY -0.17522 -0.08181 -0.03677 -0.08992 -0.32869 99 2PZ -0.00926 0.02483 0.00253 -0.00194 -0.00978 100 3S -0.17358 -2.76487 -0.55762 -1.06304 2.42237 101 3PX 0.31321 0.42645 -0.03039 -0.14600 0.07571 102 3PY 2.06162 1.96871 1.45641 1.60149 -2.04498 103 3PZ 1.16681 1.49112 0.68487 0.60177 -1.21104 104 4XX 0.04405 -0.07285 -0.20284 -0.00421 -0.42578 105 4YY 0.06545 0.07216 -0.03982 -0.14750 0.10563 106 4ZZ -0.16772 -0.12427 0.22835 0.13455 0.20359 107 4XY -0.11519 -0.11898 -0.20428 -0.05453 -0.04205 108 4XZ 0.07845 -0.04212 0.15320 -0.07768 0.11648 109 4YZ 0.00101 -0.16507 0.08340 0.06224 -0.00617 110 8 C 1S 0.00660 -0.01273 0.01639 -0.01183 0.03521 111 2S -0.33472 -0.60474 -0.18711 -0.05733 0.56427 112 2PX 0.01084 0.00124 0.03558 -0.01885 -0.01535 113 2PY -0.05074 0.20236 0.07502 0.04710 0.00844 114 2PZ 0.12658 0.13144 0.01148 -0.04636 -0.12504 115 3S 0.76120 1.52617 0.08091 0.52566 -2.19859 116 3PX -0.19216 -0.48756 -0.46511 -0.30055 1.05956 117 3PY -0.84233 -1.45195 -0.21002 -0.08669 0.71870 118 3PZ -0.84372 -1.28058 -0.49181 0.02225 0.86370 119 4XX 0.02507 -0.10226 0.12857 -0.07664 -0.33852 120 4YY 0.13435 0.10322 -0.14029 0.11467 0.16491 121 4ZZ -0.04069 0.07032 0.07005 -0.03210 0.09356 122 4XY -0.20219 0.05861 0.06140 0.14371 -0.12322 123 4XZ -0.03767 -0.24168 -0.01767 0.30757 -0.08113 124 4YZ 0.07135 -0.11698 -0.39687 0.00942 0.08669 125 9 C 1S -0.00218 -0.00066 0.00099 0.00834 -0.01888 126 2S -0.00114 -0.05086 -0.01238 -0.15596 -0.11109 127 2PX 0.02190 -0.05105 -0.07802 0.00186 -0.06606 128 2PY 0.04582 -0.16694 -0.17018 -0.06020 -0.01568 129 2PZ 0.06623 0.01776 -0.08444 0.03793 -0.04731 130 3S -1.29942 -1.39935 0.28209 0.42220 1.76411 131 3PX -0.01942 0.24245 0.14312 -0.26864 -0.41673 132 3PY -0.10963 -0.09287 0.17137 0.07324 0.43995 133 3PZ 0.89067 0.86105 -0.06056 -0.46093 -0.88097 134 4XX -0.09245 -0.31437 -0.05243 0.14701 0.11453 135 4YY 0.15843 0.24772 0.11629 0.02407 0.11928 136 4ZZ -0.14708 0.03017 0.00612 -0.12470 -0.23579 137 4XY -0.18246 -0.01751 0.14336 -0.10999 0.07540 138 4XZ 0.32825 -0.08623 -0.18825 0.02210 0.28645 139 4YZ 0.15050 -0.01624 -0.05824 -0.01193 -0.02231 140 10 H 1S 0.08431 -0.01222 -0.14298 0.09211 -0.01825 141 2S 0.25312 0.16686 -0.05182 -0.23108 -0.15428 142 11 H 1S -0.02127 -0.30512 0.05472 -0.33420 -0.03435 143 2S -0.10440 -0.57216 0.11836 -0.09286 0.38188 144 12 H 1S 0.18067 0.32516 0.26259 -0.18786 -0.03319 145 2S 0.30174 0.48054 0.18590 0.06123 -0.38184 146 13 H 1S -0.04037 -0.08320 0.02249 0.11006 0.09008 147 2S -0.21788 -0.21265 0.01712 0.13029 0.19259 148 14 C 1S -0.00681 -0.02097 0.00892 0.00560 0.04023 149 2S -0.03456 -0.06213 0.07640 0.13020 0.13964 150 2PX -0.03692 0.03023 0.01630 0.08416 -0.04302 151 2PY 0.02110 -0.01174 0.02431 -0.00049 -0.00424 152 2PZ -0.00263 0.01791 -0.00934 0.02604 -0.01985 153 3S 0.47252 2.10220 -0.07669 0.80911 -2.18012 154 3PX 0.24935 0.49026 0.19457 0.07524 -0.88969 155 3PY -0.33507 -0.31029 -0.27130 0.00190 0.45502 156 3PZ 0.03441 0.19035 -0.26116 -0.12650 -0.37542 157 4XX -0.01247 -0.24061 0.34600 0.05004 -0.18135 158 4YY -0.02726 0.28554 -0.14096 0.27450 0.09528 159 4ZZ -0.01209 -0.06081 -0.21458 -0.29406 0.19794 160 4XY -0.18655 -0.15978 0.24568 -0.13496 0.33613 161 4XZ 0.07156 0.04774 -0.17833 -0.39973 -0.25459 162 4YZ -0.09785 0.32085 -0.03070 0.18557 -0.07902 163 15 H 1S -0.05511 -0.27788 0.19130 -0.32379 0.20613 164 2S 0.19489 0.09559 0.16353 0.03889 -0.23148 165 16 H 1S 0.05983 -0.25748 0.03220 0.07313 0.05673 166 2S -0.08865 -0.05459 -0.07477 -0.14237 0.05114 167 17 C 1S 0.02852 -0.01845 0.01921 0.01909 -0.03348 168 2S 0.18078 -0.21870 0.05259 0.12134 -0.14055 169 2PX 0.01590 0.00780 -0.00671 0.01459 0.00067 170 2PY 0.00377 0.07558 0.03782 -0.02145 -0.00517 171 2PZ 0.01128 0.04164 -0.01581 -0.01715 0.01354 172 3S -2.04426 -0.31294 -1.25808 -1.22136 1.38650 173 3PX -0.18040 -0.10511 -0.17337 -0.18004 0.29948 174 3PY 0.47632 0.05652 0.32043 0.52182 -0.83165 175 3PZ 0.01468 -0.14098 -0.11341 -0.05802 0.11574 176 4XX -0.25970 -0.12988 0.07008 0.11192 -0.21076 177 4YY 0.19062 0.13898 -0.02807 -0.15476 0.47381 178 4ZZ 0.05906 -0.03453 -0.02091 0.09320 -0.36388 179 4XY 0.20159 0.19094 -0.12129 -0.11474 -0.02149 180 4XZ -0.60362 0.13140 -0.39017 -0.21315 0.12633 181 4YZ 0.08821 0.30099 0.01986 0.03270 0.11651 182 18 H 1S 0.23969 -0.25389 0.27537 0.16058 -0.10782 183 2S 0.08920 0.11196 0.04308 -0.00598 0.01901 184 19 H 1S 0.51704 0.12985 0.11514 0.03604 -0.00589 185 2S -0.10295 -0.14497 -0.03708 -0.09900 0.22510 156 157 158 159 160 V V V V V Eigenvalues -- 2.34407 2.36402 2.40108 2.41178 2.46920 1 1 S 1S 0.00456 0.00423 0.01281 -0.01157 0.01047 2 2S -0.07812 -0.05320 -0.03993 0.06762 -0.05782 3 2PX 0.03363 0.03241 0.03527 -0.04394 0.02902 4 2PY 0.02500 0.03722 -0.00884 -0.02645 0.00836 5 2PZ 0.02650 0.03575 -0.03416 -0.02430 0.04247 6 3S -0.02275 -0.00873 0.37232 -0.21658 0.20851 7 3PX -0.11914 -0.15955 -0.20925 0.24021 -0.13603 8 3PY -0.11375 -0.17980 0.04148 0.10993 -0.00142 9 3PZ -0.19719 -0.19436 0.17961 0.13462 -0.21631 10 4S 1.09034 0.90895 0.48956 -0.94122 0.51224 11 4PX -0.52132 -0.39424 -0.24676 0.45374 -0.19454 12 4PY 0.00602 0.05704 0.06720 -0.06585 0.08955 13 4PZ -0.00563 0.03106 -0.02124 0.14807 -0.05749 14 5XX -0.01302 0.01815 -0.01016 0.01688 -0.04224 15 5YY -0.10005 0.04063 -0.12356 0.05760 -0.01434 16 5ZZ -0.08495 -0.11228 -0.09500 0.07826 -0.09116 17 5XY 0.13335 0.17374 -0.02024 -0.14848 0.09987 18 5XZ 0.09280 0.14834 -0.14632 -0.10456 0.12623 19 5YZ 0.07734 0.10322 -0.04139 -0.07000 0.05114 20 2 O 1S 0.00203 -0.00154 0.00488 -0.00198 0.00668 21 2S 0.19799 0.17028 0.08964 -0.21131 0.12320 22 2PX -0.02740 -0.03256 -0.01184 0.02422 0.00814 23 2PY -0.04910 -0.01291 -0.00923 0.02403 -0.02044 24 2PZ 0.01680 0.01344 -0.01145 -0.01267 -0.00934 25 3S -0.49765 -0.40323 -0.28718 0.54603 -0.39085 26 3PX 0.12823 0.11692 0.06406 -0.12116 0.01489 27 3PY 0.16050 0.08745 0.07622 -0.15195 0.15852 28 3PZ -0.04896 -0.05643 -0.00305 0.04769 -0.01697 29 4XX 0.01641 -0.04552 0.01259 -0.00615 0.08313 30 4YY 0.03527 0.05874 -0.01530 -0.00135 -0.09856 31 4ZZ -0.00517 -0.01287 0.04776 -0.02042 0.06487 32 4XY -0.07261 -0.03428 -0.02657 0.03216 -0.02585 33 4XZ 0.01198 -0.01121 0.00452 -0.01649 -0.03864 34 4YZ -0.03105 0.01817 0.01080 0.00482 0.03234 35 3 O 1S 0.01566 0.01931 0.01371 -0.01759 0.00682 36 2S 0.57613 0.60234 0.10762 -0.36260 0.35558 37 2PX 0.02914 0.00751 0.05963 -0.10100 0.00536 38 2PY 0.04725 0.06263 0.00873 -0.13924 0.02970 39 2PZ 0.09786 0.08209 -0.00060 0.02098 0.03205 40 3S -1.40572 -1.48916 -0.93321 1.23159 -0.69429 41 3PX -0.12098 -0.00245 0.13976 0.14774 -0.04108 42 3PY -0.22873 -0.31997 -0.02635 0.62499 -0.16773 43 3PZ -0.47630 -0.45016 -0.30828 0.17754 -0.14696 44 4XX 0.16860 -0.02031 0.24300 -0.00226 -0.01457 45 4YY 0.11219 0.20512 0.01883 0.02319 -0.01728 46 4ZZ -0.13294 -0.02172 -0.18824 -0.12618 0.08778 47 4XY -0.21836 -0.08552 0.01661 -0.07448 -0.29436 48 4XZ 0.11819 -0.06285 0.09373 0.26647 -0.11824 49 4YZ -0.23888 -0.29555 0.08486 0.32099 -0.10396 50 4 C 1S 0.01409 -0.02821 0.00688 0.02477 -0.01084 51 2S 0.09856 -0.22878 -0.27545 -0.30091 -0.00193 52 2PX -0.02420 0.04789 -0.10679 -0.07408 0.04036 53 2PY 0.00498 0.01004 -0.13456 -0.16309 -0.01589 54 2PZ -0.07259 0.07001 0.09708 -0.05133 -0.05927 55 3S -0.43412 1.51483 -1.65693 0.43628 0.38594 56 3PX -0.01627 0.24585 -0.30159 0.22559 0.41580 57 3PY 0.03514 0.93094 -0.53232 0.82159 0.16023 58 3PZ 0.32208 0.03542 0.51037 0.11325 0.15121 59 4XX 0.20487 -0.05708 -0.38470 0.34747 0.22907 60 4YY -0.13910 -0.00614 0.12035 -0.08329 -0.14844 61 4ZZ -0.09662 0.10399 0.28024 -0.19133 -0.11976 62 4XY -0.15579 0.04206 -0.23875 -0.06690 0.27789 63 4XZ 0.07096 0.17064 -0.06469 0.11335 0.27068 64 4YZ 0.11145 -0.03786 0.42182 0.17699 -0.10048 65 5 C 1S -0.01321 0.00348 -0.06773 0.02352 -0.01158 66 2S 0.07936 -0.14853 -1.15738 0.92522 -0.18544 67 2PX 0.09749 0.07021 -0.16390 0.11988 0.12666 68 2PY -0.00737 0.04694 -0.02313 0.08465 -0.06592 69 2PZ -0.00976 -0.16326 -0.11334 0.13470 -0.04238 70 3S 0.02744 -0.01391 4.45061 -2.50730 0.51304 71 3PX 0.46203 0.39388 0.57455 0.20623 -0.50671 72 3PY -0.56708 0.29074 1.37047 -1.54548 -0.15515 73 3PZ 0.13479 -0.07005 1.72248 -0.37491 -0.43229 74 4XX 0.12162 -0.03784 0.08442 -0.00019 0.09732 75 4YY -0.20095 0.17640 -0.07530 -0.36173 -0.10991 76 4ZZ 0.07507 -0.05057 0.20978 0.18240 0.03904 77 4XY 0.30522 0.39072 -0.03168 -0.10920 -0.09034 78 4XZ 0.36454 0.09532 0.11837 0.12151 0.02551 79 4YZ 0.12101 0.09326 0.09808 -0.15130 0.12895 80 6 C 1S -0.01069 0.02765 -0.00018 -0.01023 -0.05333 81 2S 0.12141 0.48989 0.29794 0.11285 -0.44393 82 2PX 0.13598 -0.21987 -0.06295 0.15432 -0.09937 83 2PY -0.14335 -0.01953 -0.01798 -0.11583 0.05743 84 2PZ -0.03925 -0.14954 -0.05692 0.09038 -0.07150 85 3S 0.17677 -1.29888 -0.98209 0.42878 3.07894 86 3PX 0.27312 -1.31950 -2.68293 0.49740 1.31613 87 3PY -0.64905 -0.68613 1.96674 -1.50238 1.50219 88 3PZ -0.13151 -1.37600 -0.83769 -0.66412 1.88335 89 4XX -0.19387 0.07074 0.09045 0.22863 -0.01349 90 4YY -0.04608 0.24135 -0.09195 -0.11728 0.04911 91 4ZZ 0.18015 -0.21943 -0.01842 -0.17798 0.01903 92 4XY -0.11294 0.09328 0.02086 0.11525 -0.09398 93 4XZ 0.03953 -0.03838 0.08577 -0.18155 0.22787 94 4YZ -0.08089 -0.22878 0.16702 0.10808 0.32597 95 7 C 1S 0.01519 -0.01831 -0.00688 0.01532 0.02431 96 2S 0.23435 -0.29947 -0.09924 -0.09543 0.52229 97 2PX -0.05026 -0.04090 0.05782 -0.09831 0.13626 98 2PY 0.19909 -0.15812 -0.01891 0.12283 0.09502 99 2PZ -0.02020 -0.08183 0.02703 0.01153 0.15758 100 3S -0.08377 0.89551 1.63129 -0.66406 -2.05318 101 3PX -1.07719 -0.74477 1.75079 -1.46330 1.25364 102 3PY 1.16253 -1.44392 -2.26410 0.28268 1.99836 103 3PZ -0.33865 -1.10827 0.34600 -1.06462 1.95560 104 4XX -0.17227 0.28461 0.13676 0.17180 0.07705 105 4YY 0.11632 -0.01979 -0.09648 -0.04269 -0.07009 106 4ZZ 0.16254 -0.30418 0.00313 -0.08116 -0.03555 107 4XY 0.11959 0.04076 -0.06748 0.00076 -0.18760 108 4XZ 0.12162 0.04802 -0.16300 -0.25905 -0.24477 109 4YZ -0.12153 0.22249 0.09962 0.24692 0.17790 110 8 C 1S -0.02787 0.01073 0.04799 -0.05658 0.00586 111 2S -0.37320 -0.04023 1.08046 -0.72395 0.20174 112 2PX -0.01072 0.01894 0.01109 -0.03060 -0.06304 113 2PY 0.03724 -0.01478 -0.18645 0.10841 0.00698 114 2PZ 0.04156 0.06392 -0.15673 0.05459 -0.00781 115 3S 1.60722 0.17994 -3.76955 3.03093 -0.43223 116 3PX -0.80368 -0.36196 1.35688 -1.14682 0.01319 117 3PY 0.08511 0.09716 0.46535 -0.16676 -0.90849 118 3PZ -0.24940 0.08192 1.67131 -0.81497 -0.06397 119 4XX -0.01517 0.29727 -0.05531 0.28287 0.08108 120 4YY 0.08560 -0.05365 0.07502 0.11601 -0.09488 121 4ZZ -0.01531 -0.22272 -0.21694 -0.29290 -0.01791 122 4XY 0.08071 -0.17514 0.14651 -0.14748 0.42111 123 4XZ 0.43895 -0.25643 -0.00140 0.03588 -0.20169 124 4YZ 0.13561 0.03539 0.21600 -0.05897 0.04287 125 9 C 1S 0.00530 0.02029 0.00352 -0.01105 0.01361 126 2S 0.13752 0.24163 0.00374 -0.14017 -0.06457 127 2PX -0.02772 0.05109 0.11777 -0.03048 -0.00352 128 2PY 0.01542 0.12741 0.11034 -0.06919 -0.00179 129 2PZ -0.04561 0.01906 -0.00532 0.06661 0.08923 130 3S -0.56245 -1.41709 1.05459 -0.88361 -0.81625 131 3PX 0.00781 0.40197 -0.09451 0.13935 -0.18768 132 3PY -0.23543 -0.07900 0.10448 -0.44202 0.02603 133 3PZ 0.20884 0.90997 -0.87216 0.43594 0.19552 134 4XX 0.10827 0.09554 -0.26437 -0.02623 0.46619 135 4YY 0.06384 -0.02799 0.09766 -0.06201 -0.22484 136 4ZZ -0.20912 -0.10008 0.12859 0.04576 -0.24089 137 4XY 0.02463 0.06022 -0.14717 0.28550 0.24700 138 4XZ 0.06149 -0.09168 -0.26873 0.23496 0.12786 139 4YZ 0.17985 -0.11751 0.48794 0.13145 -0.06428 140 10 H 1S 0.18129 0.05091 0.08941 0.19420 -0.00550 141 2S -0.03861 0.25624 -0.12593 0.22741 0.06552 142 11 H 1S -0.26789 -0.18275 -0.07439 0.07808 -0.17843 143 2S 0.03524 0.18696 0.53438 -0.20271 -0.20962 144 12 H 1S -0.29359 0.19387 -0.13376 0.05796 0.05421 145 2S 0.16425 -0.08504 -0.45073 0.22352 0.20370 146 13 H 1S 0.15460 -0.02507 0.20697 -0.06056 0.12618 147 2S -0.12485 -0.24430 0.13423 -0.14073 -0.02000 148 14 C 1S -0.00164 0.03072 0.02369 -0.00651 0.01114 149 2S 0.03667 0.10641 -0.04494 0.00448 0.02191 150 2PX 0.01270 -0.03452 -0.14498 0.05242 -0.07424 151 2PY -0.03452 0.01517 0.03053 0.02790 0.00877 152 2PZ 0.02947 -0.04192 -0.08571 -0.00631 -0.03853 153 3S 0.13980 -1.19978 -2.12504 0.25218 0.17808 154 3PX 0.07131 -0.72871 -0.72130 0.13253 0.16224 155 3PY -0.01889 0.41145 -0.24794 0.19647 -0.55818 156 3PZ 0.06633 -0.18483 -0.62993 0.15844 -0.25834 157 4XX -0.14664 -0.25894 -0.10310 0.23179 -0.06958 158 4YY -0.06993 0.11326 0.10410 -0.18533 0.08466 159 4ZZ 0.21079 0.21647 0.05714 -0.05561 -0.02176 160 4XY 0.16062 0.25301 0.12439 0.26975 -0.03905 161 4XZ 0.24509 -0.30622 -0.24205 0.11598 -0.16240 162 4YZ 0.00412 0.11444 -0.00714 0.20026 -0.08895 163 15 H 1S 0.15280 0.07943 0.11494 0.12718 0.02510 164 2S -0.03211 -0.27173 0.14293 -0.11693 0.32444 165 16 H 1S -0.15782 -0.03403 0.01695 -0.15524 0.03465 166 2S 0.08168 0.02424 -0.17812 0.15530 -0.15226 167 17 C 1S 0.02959 -0.02535 -0.00722 -0.00844 0.01796 168 2S 0.13913 -0.09252 0.07947 -0.12017 -0.01564 169 2PX -0.01981 0.00264 0.03799 0.01083 0.00641 170 2PY 0.05660 -0.01257 -0.06472 0.05990 0.11298 171 2PZ 0.03584 -0.02371 -0.02067 -0.01064 -0.00965 172 3S -1.33396 1.09529 1.27058 0.15943 -1.09944 173 3PX -0.05953 0.40674 -0.21907 0.41526 -0.48334 174 3PY 0.66661 -0.64456 -0.46042 0.00329 0.53714 175 3PZ 0.24078 0.03930 -0.34830 0.26193 -0.29944 176 4XX 0.22524 -0.13056 -0.07508 0.09148 0.07009 177 4YY -0.24910 0.17788 -0.02716 -0.15642 -0.31564 178 4ZZ 0.07212 -0.11861 0.06144 0.05534 0.28315 179 4XY 0.11181 -0.40226 0.10764 -0.26390 0.25889 180 4XZ -0.01779 0.01975 0.04329 0.04859 -0.05192 181 4YZ -0.37611 0.00571 0.28321 0.04146 0.34458 182 18 H 1S 0.14598 0.07622 -0.14578 -0.02461 -0.14090 183 2S -0.11948 -0.05933 0.21065 -0.20105 0.19921 184 19 H 1S -0.04655 -0.15973 0.03492 -0.09527 0.15223 185 2S 0.04516 0.29382 -0.15057 0.17895 -0.30698 161 162 163 164 165 V V V V V Eigenvalues -- 2.48984 2.50068 2.55791 2.57525 2.65264 1 1 S 1S -0.01378 -0.00787 0.01284 0.00766 0.00320 2 2S 0.07007 0.05069 -0.09257 0.03292 -0.01160 3 2PX -0.02557 -0.02441 0.03798 -0.00257 0.02706 4 2PY -0.02317 -0.01307 0.02165 0.00762 0.00764 5 2PZ -0.04790 -0.02596 0.05557 -0.00229 -0.02112 6 3S -0.30775 -0.16118 0.20197 0.35635 0.08293 7 3PX 0.12268 0.10262 -0.17945 -0.02045 -0.17516 8 3PY 0.07443 0.06213 -0.06073 -0.02680 -0.07119 9 3PZ 0.25741 0.14539 -0.31293 0.07634 0.14756 10 4S -0.57213 -0.46486 1.16941 -1.06742 0.42568 11 4PX 0.21314 0.19175 -0.50613 0.48599 -0.23909 12 4PY -0.03031 -0.01168 0.10421 -0.08585 0.06594 13 4PZ 0.05991 0.02493 -0.03367 -0.14973 -0.00629 14 5XX 0.15095 0.04394 -0.11529 -0.02808 0.08416 15 5YY 0.01189 0.04848 0.00181 -0.01185 -0.09770 16 5ZZ 0.06768 0.08725 -0.09175 -0.01020 -0.02403 17 5XY -0.13786 -0.07782 0.17429 -0.02492 -0.02198 18 5XZ -0.16057 -0.10094 0.17405 0.04131 -0.03546 19 5YZ -0.13048 -0.06925 0.12429 0.01758 0.03511 20 2 O 1S -0.00073 -0.00583 0.00423 -0.00495 -0.00506 21 2S -0.18377 -0.08879 0.25542 -0.08429 0.05238 22 2PX 0.01167 -0.00457 -0.01502 -0.00339 -0.00734 23 2PY 0.03457 0.01546 -0.03752 0.00198 0.00084 24 2PZ -0.01689 -0.01738 0.00742 0.01109 0.00865 25 3S 0.42710 0.27811 -0.68507 0.34431 -0.10725 26 3PX -0.06152 -0.02778 0.10746 -0.04416 0.06340 27 3PY -0.17682 -0.08330 0.25536 -0.09514 -0.04703 28 3PZ 0.06834 0.05545 -0.07791 0.02233 -0.00972 29 4XX -0.05927 -0.06686 0.06723 -0.02660 -0.05789 30 4YY 0.06219 -0.00345 -0.08042 0.01466 0.08354 31 4ZZ -0.01596 0.01271 0.04072 -0.01184 -0.05477 32 4XY 0.03703 0.03952 -0.05753 0.01443 -0.02597 33 4XZ 0.00124 -0.00363 -0.02127 0.04062 0.01945 34 4YZ -0.05690 -0.01831 0.05505 0.00728 -0.06477 35 3 O 1S -0.02047 0.00690 -0.00007 -0.01372 0.01205 36 2S -0.25228 -0.15185 0.57457 -0.31309 0.16702 37 2PX -0.09785 -0.06669 0.05771 -0.01186 0.01884 38 2PY -0.05203 -0.02428 0.08927 -0.04130 0.03245 39 2PZ -0.02469 -0.03978 0.06974 -0.05854 -0.02777 40 3S 0.76944 0.21469 -1.39875 1.13658 -1.09171 41 3PX 0.25010 0.32595 -0.17068 -0.06414 0.26673 42 3PY 0.23589 0.16113 -0.42997 0.24754 -0.16578 43 3PZ 0.21871 0.13070 -0.44242 0.44457 -0.22345 44 4XX 0.11956 -0.23517 -0.03855 -0.25008 0.06307 45 4YY -0.04501 0.15108 -0.05341 -0.03249 -0.00730 46 4ZZ -0.21125 0.13667 0.06336 0.17544 0.00214 47 4XY 0.36809 0.26807 -0.28769 -0.15752 0.09718 48 4XZ 0.29664 0.14202 -0.26880 -0.13978 0.02055 49 4YZ 0.19410 0.04800 -0.25310 0.01334 -0.01722 50 4 C 1S -0.02697 0.01121 0.04757 -0.00836 0.08944 51 2S -0.11313 0.17719 -0.07789 0.16963 0.28992 52 2PX -0.00919 0.07866 -0.02301 -0.08315 -0.12616 53 2PY 0.04030 0.04459 -0.16933 0.01794 -0.19537 54 2PZ -0.06610 0.17501 0.07255 -0.30163 -0.09516 55 3S 1.18980 -0.31314 -1.49167 -0.40711 -5.12052 56 3PX 0.15314 -0.12589 -0.13537 -0.05288 -1.04825 57 3PY 0.60499 -0.21400 -0.63703 -0.06121 -2.76094 58 3PZ -0.37799 0.12210 0.19540 -0.30286 0.05783 59 4XX -0.03465 0.05484 0.21898 -0.11663 0.38077 60 4YY 0.00357 -0.01400 -0.02391 -0.26519 -0.23612 61 4ZZ 0.03151 -0.07548 -0.13734 0.27527 -0.13037 62 4XY 0.01243 0.01763 -0.06118 -0.07088 -0.48494 63 4XZ 0.26636 -0.04281 -0.19516 -0.23835 -0.17846 64 4YZ -0.25025 0.20162 0.11073 -0.10755 -0.13044 65 5 C 1S 0.04011 -0.00920 -0.05602 0.03437 -0.07868 66 2S 0.03921 0.31758 -0.53067 0.56533 -1.09116 67 2PX 0.01683 0.09381 -0.04092 0.09917 -0.09296 68 2PY -0.04160 -0.00202 -0.05040 0.03943 -0.14045 69 2PZ -0.09387 0.07010 0.02249 0.04447 0.02666 70 3S -1.36398 -0.47984 2.50739 -1.90844 4.84683 71 3PX -0.04821 0.52185 0.08194 -0.45267 0.71653 72 3PY -0.09229 -0.22616 0.58170 -0.93027 1.39804 73 3PZ -0.64988 0.19356 0.86950 -0.86992 1.66052 74 4XX 0.15484 -0.20871 -0.16768 -0.02910 0.01923 75 4YY 0.11932 -0.04411 -0.08850 -0.29465 0.09173 76 4ZZ -0.22158 0.17586 0.33309 0.16155 0.10767 77 4XY 0.18744 0.26268 -0.23354 0.22805 -0.15357 78 4XZ 0.35726 -0.10629 -0.13777 -0.19325 0.15014 79 4YZ 0.13535 -0.28735 -0.17649 0.47862 -0.21548 80 6 C 1S -0.03828 0.00115 0.02169 -0.01610 -0.02624 81 2S -0.21609 -0.09528 -0.00005 -0.01291 -0.05731 82 2PX 0.04700 -0.19257 0.02554 0.02862 -0.27470 83 2PY 0.00944 -0.13769 -0.00798 -0.11822 0.15594 84 2PZ 0.07611 -0.19897 0.00317 -0.03350 -0.11383 85 3S 1.70604 -0.14431 -1.00479 0.45990 0.60557 86 3PX 0.92389 -0.37306 -0.45572 0.53309 -1.42360 87 3PY 0.18671 -1.04454 0.85298 -1.00524 1.67498 88 3PZ 0.83305 -0.84116 0.33742 -0.27638 0.32418 89 4XX 0.14450 0.05176 0.36966 0.15365 0.20720 90 4YY 0.28362 0.04801 -0.04716 -0.09885 -0.07658 91 4ZZ -0.46690 -0.00571 -0.30608 -0.11657 -0.05246 92 4XY 0.15072 0.07745 0.26339 -0.06059 -0.09446 93 4XZ 0.03509 0.23562 -0.23736 -0.19145 0.43411 94 4YZ 0.17420 -0.07639 0.11312 0.21415 -0.17861 95 7 C 1S 0.00619 -0.06402 0.01431 -0.05477 -0.00236 96 2S 0.13528 -0.37870 0.09972 -0.34300 0.32375 97 2PX 0.08248 0.08331 0.04056 0.02565 -0.06257 98 2PY -0.03607 0.16629 -0.07641 -0.01931 0.17161 99 2PZ 0.02160 0.14546 -0.03934 0.05461 0.02515 100 3S -0.70391 2.64397 -0.54459 1.97762 1.15320 101 3PX 0.83924 -0.45673 0.43148 0.38764 1.18048 102 3PY 0.79401 -0.21472 -0.31851 -0.30391 0.49668 103 3PZ 0.94477 -0.56187 0.19649 -0.02182 0.90360 104 4XX 0.11616 -0.05637 -0.01066 0.12819 -0.10173 105 4YY 0.18215 0.20418 0.16097 -0.03348 0.31675 106 4ZZ -0.33803 -0.11748 -0.15408 -0.12558 -0.20377 107 4XY 0.25401 0.03236 0.36521 -0.11509 -0.13231 108 4XZ -0.02637 0.43102 0.18009 0.31616 -0.13963 109 4YZ -0.34305 0.25730 -0.29986 0.07323 0.02314 110 8 C 1S 0.01008 -0.00678 0.00182 0.04578 0.06885 111 2S 0.14401 0.02136 0.16122 -0.09408 0.93849 112 2PX -0.02443 0.03401 -0.00630 0.14801 -0.00525 113 2PY -0.03669 -0.16301 -0.05109 0.06269 0.07270 114 2PZ -0.02899 0.04936 0.01978 -0.01098 -0.19803 115 3S -0.19638 0.23221 -0.45301 -1.50585 -4.19501 116 3PX 0.27640 0.14581 -0.03677 0.88082 1.07319 117 3PY -0.26763 -0.37782 -0.46860 0.64044 1.15690 118 3PZ 0.09557 0.22931 0.32441 0.00821 0.92923 119 4XX -0.02101 -0.19686 -0.11557 0.07214 0.07099 120 4YY -0.13906 0.15848 0.18199 -0.41424 -0.36542 121 4ZZ 0.17019 0.04449 -0.08241 0.44198 0.11888 122 4XY 0.18457 0.30052 0.06866 0.07908 -0.21312 123 4XZ 0.02964 -0.14264 -0.07521 -0.04225 -0.07524 124 4YZ 0.19470 -0.16647 -0.15890 0.46274 -0.02220 125 9 C 1S 0.00049 0.02805 0.01294 -0.07493 -0.09882 126 2S 0.18194 0.01555 0.11924 -0.15272 -0.30140 127 2PX 0.00187 0.00271 -0.07257 0.03648 -0.12229 128 2PY 0.11982 -0.07196 -0.15656 0.14971 -0.07893 129 2PZ -0.03281 0.07349 -0.07429 -0.09281 -0.24445 130 3S -0.61870 -0.44664 0.05404 2.03549 5.35486 131 3PX 0.00861 -0.00229 -0.25102 -0.13524 -0.76840 132 3PY -0.15090 -0.32854 -0.39404 0.52104 0.75427 133 3PZ 0.36440 0.07636 -0.09629 -1.00406 -2.64732 134 4XX 0.18483 0.13266 0.07615 -0.43697 -0.39638 135 4YY -0.08349 -0.33067 -0.13608 0.24691 0.02911 136 4ZZ -0.14802 0.19334 0.06346 0.11533 0.35355 137 4XY 0.10357 -0.15643 -0.01698 0.26470 0.23863 138 4XZ -0.04312 -0.11033 0.14727 0.09272 0.42967 139 4YZ -0.03122 -0.04611 0.24872 -0.09357 -0.10715 140 10 H 1S -0.00471 -0.00334 0.03047 0.15211 0.11813 141 2S 0.15897 -0.10344 -0.14388 -0.00807 -0.72447 142 11 H 1S -0.12223 0.12501 0.06084 -0.27933 0.03444 143 2S 0.02568 0.09881 0.07899 -0.31172 0.38759 144 12 H 1S -0.15847 0.01341 0.12807 -0.24894 0.09401 145 2S 0.02358 -0.00818 0.01295 -0.00180 -0.30186 146 13 H 1S 0.07049 -0.07466 0.01801 -0.06778 -0.19719 147 2S -0.11982 -0.01690 -0.03156 0.30597 0.71029 148 14 C 1S -0.00434 0.01352 -0.01063 0.00110 0.02895 149 2S 0.01105 -0.06075 -0.04936 0.04556 -0.13147 150 2PX 0.05023 -0.12666 0.06506 0.06086 -0.31790 151 2PY 0.01141 0.01934 0.02791 -0.01693 0.06215 152 2PZ -0.02873 -0.06469 -0.03092 -0.01935 -0.15191 153 3S 0.39989 -0.47524 0.16941 0.20573 -1.46415 154 3PX 0.22029 -0.21802 0.19547 0.04986 -0.49397 155 3PY -0.06979 0.29872 -0.26832 0.47814 -0.35443 156 3PZ 0.04643 0.03708 -0.20711 0.29595 -0.64168 157 4XX 0.24217 -0.22311 0.36875 0.14331 -0.28201 158 4YY -0.09678 -0.06428 -0.11112 -0.07009 0.23439 159 4ZZ -0.15588 0.29873 -0.25987 -0.06557 0.05064 160 4XY -0.04594 0.45144 0.04552 0.17150 -0.02350 161 4XZ -0.11270 0.06019 -0.09207 0.00120 -0.38879 162 4YZ 0.04663 0.19676 0.16219 0.05857 0.01660 163 15 H 1S -0.03626 0.20755 0.00977 0.00245 -0.00634 164 2S 0.08006 -0.16544 0.11866 -0.19739 0.25265 165 16 H 1S 0.06410 -0.21790 -0.04839 0.02799 0.02311 166 2S 0.00102 0.18881 -0.11076 0.20866 -0.20566 167 17 C 1S 0.00032 0.02473 -0.01023 0.01550 0.03425 168 2S 0.00540 -0.05108 0.00902 0.00808 0.01768 169 2PX -0.02736 -0.05280 -0.04201 0.01551 -0.04328 170 2PY -0.02837 0.18802 -0.09943 0.02816 0.22691 171 2PZ 0.05621 0.04907 0.02451 0.01608 0.05089 172 3S -0.34526 -0.84800 0.52061 -0.42997 -1.06953 173 3PX -0.45208 0.24365 0.01269 -0.29117 -0.59181 174 3PY 0.13492 0.27434 -0.26578 0.12699 0.59608 175 3PZ -0.22953 0.31782 0.00808 -0.09258 -0.14816 176 4XX -0.15094 0.01726 -0.18042 -0.03217 0.15335 177 4YY 0.17859 -0.18322 0.28077 0.02661 -0.33732 178 4ZZ -0.01795 0.20303 -0.11240 0.06901 0.19053 179 4XY 0.27336 0.38873 0.23380 0.08053 0.15535 180 4XZ 0.11588 -0.07137 0.09833 -0.08818 0.02550 181 4YZ -0.13856 0.09181 -0.11361 -0.04503 -0.22241 182 18 H 1S -0.01058 -0.15313 -0.06929 0.08752 0.09730 183 2S 0.16299 0.00336 0.02313 0.10438 0.09809 184 19 H 1S 0.01089 0.27446 0.05588 0.05106 -0.05708 185 2S -0.22168 0.15501 -0.02316 -0.09028 -0.21791 166 167 168 169 170 V V V V V Eigenvalues -- 2.68619 2.73729 2.74882 2.79411 2.82940 1 1 S 1S -0.01149 -0.00643 0.00132 0.02468 0.00640 2 2S 0.01473 0.01962 -0.02378 -0.03990 -0.01885 3 2PX -0.01979 0.02267 0.01399 -0.02910 0.00396 4 2PY 0.01686 0.08660 0.01805 -0.17982 -0.02243 5 2PZ 0.01198 -0.03917 -0.00429 0.06833 0.00770 6 3S -0.36675 -0.14131 0.00601 0.66928 0.17119 7 3PX 0.15988 -0.16878 -0.07336 0.16559 -0.03108 8 3PY -0.10850 -0.57661 -0.12341 1.24779 0.15732 9 3PZ -0.07664 0.29231 0.02397 -0.48925 -0.05156 10 4S -0.31590 -0.27714 0.33036 0.97030 0.23297 11 4PX 0.15532 -0.00133 -0.15982 -0.23685 -0.09368 12 4PY -0.03370 -0.18538 -0.00397 0.27192 0.06042 13 4PZ 0.04291 0.01367 0.10074 -0.08757 0.05365 14 5XX 0.01814 0.13703 -0.00079 -0.34002 -0.04539 15 5YY 0.01132 -0.25517 -0.09129 0.56439 0.04822 16 5ZZ 0.06179 0.07010 -0.00835 -0.11835 -0.04693 17 5XY -0.02403 0.04084 0.03141 -0.01407 0.01023 18 5XZ 0.05901 -0.00476 0.00969 -0.04921 -0.01350 19 5YZ 0.08918 0.18796 0.04512 -0.52045 -0.07997 20 2 O 1S -0.00417 -0.01894 -0.00280 0.03094 0.00319 21 2S -0.11153 -0.31148 -0.00666 0.86903 0.14237 22 2PX 0.01178 -0.02034 -0.00043 -0.03947 0.00252 23 2PY -0.00238 0.01577 0.00398 -0.04702 -0.00562 24 2PZ 0.00507 -0.01081 0.01697 0.02138 0.01612 25 3S 0.31112 0.90398 0.02199 -2.22339 -0.35183 26 3PX -0.05197 0.02977 0.02437 0.16766 0.02074 27 3PY -0.13935 -0.52901 -0.07324 1.30458 0.18469 28 3PZ 0.04589 0.26048 -0.01463 -0.59169 -0.12919 29 4XX -0.04985 -0.30426 -0.03195 0.55670 0.10697 30 4YY 0.10361 0.35789 0.07041 -0.85885 -0.12089 31 4ZZ -0.06069 -0.10917 -0.04427 0.30515 0.00125 32 4XY 0.00461 0.02938 -0.00550 -0.10484 -0.01618 33 4XZ 0.00609 -0.00088 0.00359 0.05731 0.01053 34 4YZ -0.06695 -0.34724 -0.06065 0.74496 0.09807 35 3 O 1S -0.00785 0.01892 0.00793 -0.01242 0.02961 36 2S -0.16597 0.15065 0.23875 -0.06105 0.35354 37 2PX -0.01417 0.04371 0.00794 0.01091 -0.03166 38 2PY -0.03370 -0.03453 0.01393 -0.04453 -0.00392 39 2PZ -0.00671 0.02446 0.03469 -0.00387 0.00432 40 3S 0.96763 -0.87194 -0.84858 0.11508 -1.29794 41 3PX -0.21253 0.10224 0.18607 -0.04731 0.60717 42 3PY 0.14574 0.16931 -0.11934 0.11767 0.08744 43 3PZ 0.29825 -0.37321 -0.29328 0.07144 -0.32174 44 4XX -0.12110 0.16541 0.04526 0.09520 -0.18737 45 4YY 0.01879 0.02628 0.03314 -0.08160 0.19617 46 4ZZ 0.06243 -0.08101 -0.05139 -0.10179 0.13343 47 4XY -0.14280 -0.26388 -0.07490 0.00570 -0.07944 48 4XZ -0.11252 0.06144 0.06857 0.11939 0.23074 49 4YZ 0.06040 0.13963 -0.01768 0.18342 0.03582 50 4 C 1S -0.06478 -0.02367 -0.00502 -0.02428 0.00670 51 2S -0.32021 -0.18352 -0.09350 -0.17471 0.24384 52 2PX -0.01400 0.07090 -0.00487 -0.01741 0.24593 53 2PY 0.05327 0.04107 0.01476 0.00241 0.22216 54 2PZ -0.11553 0.23388 -0.04962 -0.01164 0.47334 55 3S 3.90926 -0.29447 -0.40528 0.79925 -0.38525 56 3PX 0.69476 -0.01652 -0.24224 0.06346 0.24415 57 3PY 2.16584 -0.05091 -0.43491 0.54861 -0.48806 58 3PZ -0.50566 0.51551 -0.19145 -0.15346 1.27294 59 4XX -0.35559 -0.05899 -0.03263 -0.10065 0.09519 60 4YY 0.31276 0.12301 -0.05130 0.04527 -0.07315 61 4ZZ 0.00504 0.04013 0.19208 0.08011 0.16646 62 4XY 0.25323 0.08419 -0.10320 -0.04490 0.31150 63 4XZ -0.12157 0.41379 0.08456 0.16256 0.33127 64 4YZ -0.21559 0.22374 -0.18161 -0.10408 0.74497 65 5 C 1S 0.06176 -0.06414 -0.04949 0.00089 -0.06554 66 2S 0.99161 -0.59140 -0.43086 0.16344 -0.50629 67 2PX 0.09523 -0.14546 -0.11748 -0.07364 0.20140 68 2PY 0.15371 0.13550 0.19719 0.15728 -0.11673 69 2PZ 0.00305 -0.09326 -0.12289 -0.03808 -0.04067 70 3S -3.94333 2.95352 2.30937 -0.32213 2.68096 71 3PX -0.88455 0.72083 0.10299 0.03561 0.58632 72 3PY -0.93059 0.95601 1.37205 0.12915 0.12324 73 3PZ -1.77261 1.26594 0.47362 -0.06713 0.76576 74 4XX 0.00078 0.20749 0.09183 0.06510 0.21710 75 4YY -0.01357 0.03491 0.39824 0.08361 -0.32813 76 4ZZ -0.25272 -0.14637 -0.39661 -0.22848 0.25874 77 4XY 0.02386 -0.42955 -0.32949 -0.17667 0.06027 78 4XZ -0.25882 0.00017 -0.15419 0.03430 -0.10879 79 4YZ 0.14362 0.06081 0.27894 0.12633 -0.18622 80 6 C 1S -0.05174 0.08992 0.07003 0.03556 -0.04552 81 2S 0.22606 0.45802 -0.06914 0.38375 -0.26894 82 2PX -0.22677 -0.03114 -0.06542 -0.03124 -0.03501 83 2PY 0.03225 0.02835 0.03153 0.01045 0.06425 84 2PZ -0.10825 -0.00160 -0.04112 -0.02406 -0.00433 85 3S 2.68331 -3.88156 -1.78850 -1.37728 1.57773 86 3PX 0.29956 -2.42049 -0.85003 -1.17069 0.63404 87 3PY -0.34299 0.04177 1.15696 -0.37505 0.96199 88 3PZ -0.10583 -1.73752 0.19310 -0.97113 1.04751 89 4XX 0.41725 0.29133 -0.02462 0.13765 0.09296 90 4YY -0.25875 -0.33334 -0.23634 -0.23377 0.01033 91 4ZZ -0.25134 0.09432 0.37460 0.03921 -0.04286 92 4XY -0.09473 0.07248 0.58058 0.02698 0.01098 93 4XZ 0.28518 -0.28805 0.03627 -0.03390 0.19189 94 4YZ 0.13937 -0.38925 -0.04710 -0.22747 0.28882 95 7 C 1S 0.01994 -0.11477 0.04710 -0.04737 0.05735 96 2S 0.11179 -0.22641 -0.06158 -0.19871 0.20111 97 2PX -0.13254 -0.05327 -0.01218 -0.07264 0.00048 98 2PY 0.41460 0.06043 0.02611 0.05868 0.00905 99 2PZ 0.04938 -0.01985 0.00812 -0.00613 0.01546 100 3S -1.11382 4.85813 -0.56756 2.27415 -1.64704 101 3PX -1.18142 0.03543 -0.32960 -0.34228 0.58129 102 3PY 1.68055 -1.87633 0.05372 -0.52652 1.13859 103 3PZ -0.11136 -1.00583 -0.28722 -0.67633 1.10577 104 4XX -0.33585 -0.07035 -0.09967 -0.06480 -0.04531 105 4YY 0.59729 0.21353 -0.05415 0.20311 0.07854 106 4ZZ -0.15257 -0.25684 0.21316 -0.12161 0.02257 107 4XY 0.04891 -0.25072 0.49879 -0.08720 0.02485 108 4XZ -0.26516 0.45531 -0.13933 0.22729 -0.22190 109 4YZ 0.05953 0.17195 0.24428 0.09069 -0.29982 110 8 C 1S -0.07943 0.05747 0.00151 0.01041 0.04184 111 2S -0.80804 0.45528 0.26568 -0.02016 0.34923 112 2PX -0.10939 0.14306 -0.10975 0.05483 -0.02264 113 2PY 0.08312 -0.13667 0.14353 -0.09806 0.14853 114 2PZ 0.08386 -0.02646 -0.12018 0.04690 -0.09761 115 3S 4.00750 -2.42795 -0.51982 -0.31434 -1.69943 116 3PX -1.35167 1.04519 -0.27023 0.05494 0.24889 117 3PY -0.84719 0.64465 0.69614 0.11949 0.77868 118 3PZ -1.33966 1.01839 -0.03525 0.21410 -0.18217 119 4XX 0.04733 -0.14840 0.33294 -0.02299 0.09056 120 4YY 0.21294 -0.01894 -0.40569 0.01048 -0.36987 121 4ZZ -0.15750 0.11609 0.00612 0.03767 0.19787 122 4XY -0.25137 0.15207 -0.28157 -0.00618 -0.31271 123 4XZ 0.26015 -0.22097 0.26920 -0.08556 0.06598 124 4YZ -0.05266 0.10982 -0.11182 0.05298 -0.06288 125 9 C 1S 0.03125 0.02002 -0.01699 0.00221 -0.00036 126 2S 0.27369 -0.09200 -0.08119 0.04856 -0.32736 127 2PX -0.01843 0.13462 0.02869 0.01595 0.24783 128 2PY -0.05382 0.21613 0.09502 0.05501 0.40351 129 2PZ 0.02103 0.18166 -0.05834 0.01558 0.31002 130 3S -3.35939 0.22872 1.10023 -0.36534 0.43071 131 3PX 0.44451 0.10053 0.01042 0.11464 0.42070 132 3PY -0.58822 0.46598 0.34812 -0.04409 1.38243 133 3PZ 1.87579 -0.30527 -0.37262 0.22820 -0.08633 134 4XX 0.04714 0.12756 -0.04420 0.01954 -0.10549 135 4YY 0.18929 0.00220 0.14238 -0.05330 0.26025 136 4ZZ -0.25979 -0.13753 -0.00451 0.01021 -0.22544 137 4XY -0.13590 -0.04916 0.08681 -0.00384 -0.29987 138 4XZ -0.06079 -0.23539 0.00068 -0.00464 -0.37543 139 4YZ 0.19872 -0.22106 -0.14680 -0.03411 -0.75846 140 10 H 1S -0.15996 -0.02984 0.00115 0.01337 0.02844 141 2S 0.63613 0.02032 -0.12105 0.16136 -0.16288 142 11 H 1S -0.00965 0.12169 0.06728 0.03795 -0.00994 143 2S -0.45264 0.35026 0.20931 0.02505 0.16008 144 12 H 1S 0.01564 -0.08381 0.06040 0.00205 0.11437 145 2S 0.42163 -0.32227 -0.07069 -0.09993 -0.15495 146 13 H 1S 0.08292 0.09253 -0.03250 -0.02692 -0.05473 147 2S -0.50292 0.10221 0.12002 -0.04926 0.12865 148 14 C 1S 0.04663 -0.01185 -0.00783 0.00251 0.00669 149 2S 0.00140 -0.08992 0.02717 -0.03714 -0.04994 150 2PX -0.25940 -0.04137 0.05767 -0.07450 -0.05817 151 2PY 0.08113 0.00997 0.02296 0.01319 0.04093 152 2PZ -0.17534 -0.04218 0.04941 -0.04435 -0.03316 153 3S -1.15298 -0.79357 -0.07610 -0.61732 0.13122 154 3PX -0.61746 -0.28814 0.00217 -0.28084 0.13043 155 3PY 0.22051 0.25624 -0.47262 0.30019 -0.50555 156 3PZ -0.25913 -0.03637 -0.30005 -0.02220 -0.25223 157 4XX -0.22906 0.02526 -0.00362 -0.07263 0.00483 158 4YY 0.20495 0.07062 -0.14502 0.05826 0.00957 159 4ZZ 0.04974 -0.13916 0.13499 -0.00938 0.00234 160 4XY 0.23170 -0.08411 0.28784 0.03641 0.07220 161 4XZ -0.45088 -0.03302 0.24870 -0.05918 -0.07314 162 4YZ 0.05784 0.07006 0.13988 0.05528 0.01071 163 15 H 1S 0.03500 -0.12327 0.21403 -0.04339 0.08868 164 2S -0.06304 -0.08052 0.09731 -0.12308 0.22889 165 16 H 1S 0.05559 0.02225 -0.23773 0.00984 -0.06151 166 2S -0.00341 0.00792 -0.16626 0.04912 -0.14036 167 17 C 1S 0.02339 0.03405 0.00086 0.01978 0.00028 168 2S -0.13041 -0.01409 0.08337 0.00411 0.04621 169 2PX -0.08233 -0.05355 -0.01338 -0.03189 0.01004 170 2PY 0.33447 0.19645 -0.08541 0.13882 -0.01696 171 2PZ 0.08734 0.04593 -0.03879 0.03187 0.02121 172 3S -1.25646 -0.29968 0.01737 -0.48545 -0.46558 173 3PX 0.13495 0.15019 0.19739 0.10319 -0.44394 174 3PY 0.64366 0.18694 0.04142 0.19208 0.21845 175 3PZ 0.33071 0.26077 0.20515 0.24505 -0.27051 176 4XX 0.21399 0.16300 -0.16871 0.07758 -0.01752 177 4YY -0.41392 -0.24181 0.09922 -0.12970 0.04076 178 4ZZ 0.15865 0.13152 0.07976 0.06464 -0.04170 179 4XY 0.17098 0.03070 0.31705 0.04217 0.00250 180 4XZ 0.09432 -0.06698 0.00689 -0.01804 0.04142 181 4YZ -0.23101 -0.24613 0.29530 -0.16138 -0.09177 182 18 H 1S -0.03248 0.06958 -0.19969 0.04038 0.07810 183 2S -0.15641 -0.06532 -0.07386 -0.06160 0.11173 184 19 H 1S -0.01452 0.03330 0.22086 0.02828 -0.08073 185 2S 0.10768 0.14370 -0.00472 0.12424 -0.20756 171 172 173 174 175 V V V V V Eigenvalues -- 2.88127 2.91919 3.06228 3.14016 3.74912 1 1 S 1S -0.00227 0.01084 0.00483 0.00106 -0.03543 2 2S 0.00142 -0.02335 -0.02351 -0.00319 0.15284 3 2PX 0.00412 0.01850 0.01208 -0.00424 0.00296 4 2PY 0.00237 -0.01607 0.00704 -0.00320 -0.01097 5 2PZ -0.01117 -0.01671 -0.00080 -0.00090 0.00672 6 3S -0.08077 0.34206 0.15568 0.03483 -1.41516 7 3PX -0.03579 -0.14424 -0.07075 0.02745 -0.07943 8 3PY -0.02360 0.10368 -0.04780 0.02851 -0.14334 9 3PZ 0.08053 0.11090 0.00855 -0.00781 -0.02268 10 4S 0.07425 0.32337 0.10281 -0.03337 -0.70066 11 4PX -0.08903 -0.20459 -0.06490 0.02849 0.04918 12 4PY 0.07896 0.05973 0.02672 -0.03747 -0.69533 13 4PZ 0.16749 0.04488 -0.02212 0.05675 0.12494 14 5XX 0.04906 -0.03527 -0.01928 -0.03671 0.62840 15 5YY -0.04144 -0.03802 -0.08593 0.01636 0.65044 16 5ZZ 0.02287 -0.07884 -0.08003 -0.00476 0.58295 17 5XY -0.02304 -0.01842 0.01171 0.01623 0.03784 18 5XZ -0.05515 -0.07712 -0.00059 -0.01355 0.02308 19 5YZ 0.00034 -0.04845 0.02676 -0.02713 -0.02380 20 2 O 1S -0.00160 -0.00664 -0.00545 -0.01244 -0.37529 21 2S -0.03045 0.14497 0.00375 0.04193 -0.02007 22 2PX 0.00008 -0.02380 -0.00229 -0.01120 0.02803 23 2PY 0.00063 -0.00363 -0.00207 0.00007 0.15804 24 2PZ -0.00647 0.01028 -0.00299 0.00895 -0.07215 25 3S 0.07044 -0.26600 0.01928 0.04952 3.48867 26 3PX 0.00931 0.09899 0.01276 0.01928 -0.07723 27 3PY -0.05672 0.11283 -0.02750 0.02672 -0.49378 28 3PZ 0.02366 -0.08702 0.02378 -0.03820 0.25278 29 4XX -0.01994 -0.00143 -0.04056 -0.03465 -1.28946 30 4YY 0.02111 -0.06846 0.01587 -0.05656 -1.20071 31 4ZZ -0.00514 -0.01558 -0.01576 -0.03518 -1.27777 32 4XY -0.00641 -0.03185 0.00201 0.00190 0.03474 33 4XZ -0.01984 0.02962 -0.00111 0.00844 0.00578 34 4YZ -0.05117 0.05390 -0.02399 0.02832 -0.04481 35 3 O 1S 0.05776 0.03139 0.00305 0.00008 0.30252 36 2S 0.77236 0.49565 0.04855 -0.02272 0.10771 37 2PX -0.06397 -0.01354 0.00512 0.00752 -0.03701 38 2PY -0.02284 0.00680 0.01759 -0.01831 0.03005 39 2PZ 0.00582 -0.00345 0.00053 0.00481 0.09905 40 3S -2.66620 -2.07283 -0.22235 0.07482 -2.85830 41 3PX 1.47486 0.93628 0.01299 -0.02740 0.30698 42 3PY 0.27600 0.01323 -0.14850 0.10345 0.01288 43 3PZ -0.63010 -0.49006 -0.05198 -0.02246 -0.39722 44 4XX -0.52182 -0.32212 0.03857 0.01300 0.89891 45 4YY 0.47147 0.25055 0.00532 0.02685 1.04597 46 4ZZ 0.23095 0.15016 -0.01908 -0.04461 1.01306 47 4XY -0.23144 0.04153 0.03996 -0.00868 -0.10190 48 4XZ 0.63363 0.30258 -0.01884 0.02013 0.01217 49 4YZ 0.12821 0.02821 -0.06584 0.00462 -0.04595 50 4 C 1S 0.00498 0.04934 -0.00420 -0.00090 0.03342 51 2S -0.14866 -0.10950 -0.10587 -0.06332 -0.31957 52 2PX -0.09116 -0.06113 0.01051 0.02472 0.01347 53 2PY -0.09643 -0.11754 -0.02919 0.00504 -0.01753 54 2PZ -0.11696 -0.01162 0.00984 0.07437 0.06523 55 3S -0.97622 -2.93070 0.05823 0.43879 0.17263 56 3PX -0.52372 -0.62651 -0.00396 0.06838 0.00260 57 3PY -0.49345 -1.68216 0.00191 0.37228 0.16897 58 3PZ -0.48709 0.41350 -0.32848 0.17090 -0.08573 59 4XX -0.06732 0.14531 -0.03321 -0.00301 0.18800 60 4YY -0.19829 0.53320 -0.26280 -0.06798 0.11676 61 4ZZ 0.32233 -0.51558 0.37265 0.13328 0.11513 62 4XY -0.22598 0.07513 -0.08692 -0.04299 0.02727 63 4XZ -0.02745 -0.29714 0.04707 0.06715 -0.00041 64 4YZ -0.34741 0.01657 -0.07240 0.10739 0.00291 65 5 C 1S -0.06451 -0.11402 -0.00470 0.03929 0.08448 66 2S -0.48832 -0.97524 -0.41582 -0.04924 -0.66713 67 2PX 0.43293 0.12529 -0.06770 0.09525 0.02816 68 2PY 0.10010 -0.08518 0.06288 -0.10961 -0.01967 69 2PZ -0.40834 -0.08975 -0.09058 -0.02618 -0.04053 70 3S 2.97071 5.46131 0.85065 -0.82706 0.23786 71 3PX 1.30776 1.13700 -0.20752 0.27788 0.47600 72 3PY 1.10010 1.64437 0.80199 -0.48544 0.06789 73 3PZ -0.00456 1.43481 0.11603 -0.00789 -0.17194 74 4XX 0.88439 0.14873 -0.03707 0.04946 0.35367 75 4YY -0.35598 0.13311 0.21447 -0.16172 0.32444 76 4ZZ -0.37525 -0.05383 0.02617 0.22282 0.31148 77 4XY 0.21215 0.12080 0.03257 0.26810 0.00735 78 4XZ -0.48027 -0.35546 -0.01907 0.09618 0.02402 79 4YZ 0.01950 -0.37960 0.35124 0.03619 0.00482 80 6 C 1S 0.00850 0.05547 0.02701 0.06273 0.04203 81 2S -0.02620 -0.05553 -0.12034 -0.11020 -0.46598 82 2PX -0.04652 0.18225 0.24208 0.11701 -0.07571 83 2PY 0.00701 -0.00563 0.08530 -0.19104 0.05686 84 2PZ -0.02643 0.12256 0.20058 -0.02775 0.01897 85 3S -0.65656 -2.65689 -0.70633 -1.58400 0.11776 86 3PX -0.71373 -1.47705 0.60866 -0.10532 0.34459 87 3PY 0.65425 1.28460 0.97516 -1.32274 -0.12243 88 3PZ 0.15460 -0.03691 1.04969 -0.93135 0.06602 89 4XX 0.09845 -0.30851 -0.41359 -0.16117 0.25464 90 4YY -0.03438 0.30909 0.26767 0.55561 0.16766 91 4ZZ 0.01685 0.15951 0.30337 -0.19886 0.17693 92 4XY -0.14809 0.24875 0.55396 -0.46135 0.05755 93 4XZ -0.02256 -0.18773 -0.18674 -0.70516 0.02224 94 4YZ -0.04124 0.02537 0.48063 -0.16600 0.01243 95 7 C 1S 0.01612 -0.03344 -0.02103 -0.06142 0.00143 96 2S 0.00824 -0.08621 0.14641 0.09708 0.15220 97 2PX 0.00052 -0.00869 0.05089 -0.17731 0.04254 98 2PY -0.12258 0.13566 0.28132 0.11333 0.03812 99 2PZ -0.04302 0.06386 0.15538 -0.10261 0.01572 100 3S -0.20404 2.40839 0.50650 1.62103 -0.59181 101 3PX 0.47002 1.30322 0.76553 -1.20041 -0.29729 102 3PY -0.39919 -1.13765 0.84782 -0.24351 0.15918 103 3PZ 0.04880 0.28508 0.98833 -1.08039 -0.02487 104 4XX 0.06732 -0.00334 -0.25833 -0.57896 -0.00193 105 4YY -0.13252 0.24636 0.53014 0.43383 -0.11141 106 4ZZ 0.14054 -0.21995 -0.41412 -0.04065 -0.02514 107 4XY 0.03983 -0.21303 -0.58567 0.40217 0.02575 108 4XZ 0.05239 -0.03963 -0.30029 -0.01948 -0.02966 109 4YZ -0.10668 0.08728 -0.17063 0.70559 -0.05547 110 8 C 1S 0.00223 0.08753 0.00377 -0.03746 -0.01338 111 2S 0.25139 0.79584 0.36393 0.07429 -0.15714 112 2PX 0.00727 0.09641 0.00217 -0.12976 -0.01149 113 2PY -0.10747 0.05556 -0.13106 0.07971 0.01138 114 2PZ 0.01115 -0.17200 0.03203 -0.04543 0.01483 115 3S -0.46054 -4.28459 -0.68360 0.76157 0.88876 116 3PX 0.11596 1.29596 0.46453 -0.38137 -0.16112 117 3PY -0.22047 0.96609 -0.36128 0.34710 -0.11600 118 3PZ 0.52603 1.20285 0.40267 -0.21895 -0.26210 119 4XX -0.12299 0.07462 -0.26981 0.09407 0.00691 120 4YY 0.15530 -0.20445 0.23459 -0.07988 0.04971 121 4ZZ -0.09079 -0.00394 -0.13596 -0.12132 0.01011 122 4XY 0.06266 -0.02137 -0.07082 -0.29969 0.02371 123 4XZ -0.09337 -0.11296 -0.25145 0.11118 0.02186 124 4YZ -0.21209 0.37771 -0.18971 -0.18761 -0.00581 125 9 C 1S 0.02176 -0.04289 0.01101 0.00034 -0.00145 126 2S -0.06475 -0.00500 0.05203 0.03305 0.18030 127 2PX -0.09399 -0.04455 -0.02302 0.03788 0.01062 128 2PY -0.15769 0.00384 -0.01623 0.07186 0.00048 129 2PZ -0.10182 -0.12454 -0.01452 0.02498 0.02047 130 3S 0.60183 3.02402 -0.09681 -0.39675 -0.47491 131 3PX -0.30459 -0.26067 -0.20279 0.23566 -0.03120 132 3PY -0.53173 0.76360 -0.27451 0.06641 -0.22065 133 3PZ -0.41138 -1.50791 0.06375 0.27649 0.31742 134 4XX 0.11597 -0.11577 -0.00663 -0.07880 -0.01685 135 4YY -0.23514 0.55816 -0.28243 -0.04859 -0.07089 136 4ZZ 0.33861 -0.47368 0.26140 0.08583 -0.09301 137 4XY -0.08035 0.37315 -0.25550 -0.08997 -0.01705 138 4XZ 0.18488 -0.07009 0.12076 -0.04045 -0.00100 139 4YZ 0.22341 0.20940 -0.02937 -0.12159 0.03189 140 10 H 1S 0.08557 -0.32538 0.13344 0.08520 -0.00118 141 2S -0.17513 -0.29019 -0.04505 0.07313 0.05874 142 11 H 1S 0.07770 0.15878 -0.10318 -0.08334 -0.07506 143 2S 0.07221 0.31122 0.18690 0.02584 0.08154 144 12 H 1S 0.09372 -0.07274 0.13767 0.08835 -0.04990 145 2S -0.12091 -0.34071 -0.15299 -0.03220 0.14436 146 13 H 1S -0.07558 0.30983 -0.14482 -0.08369 0.01711 147 2S 0.10692 0.23627 0.02536 -0.04033 -0.11220 148 14 C 1S -0.00213 -0.01842 -0.01945 -0.01171 -0.00216 149 2S -0.06053 0.03017 0.19777 0.15281 -0.00461 150 2PX -0.04226 0.18624 0.32510 0.23837 -0.01839 151 2PY 0.01956 -0.03609 -0.03479 -0.11499 0.02144 152 2PZ -0.04693 0.11179 0.18834 0.08920 -0.02306 153 3S -0.23292 -0.12694 0.92938 0.28996 0.22717 154 3PX -0.03629 0.20480 0.48718 0.14149 0.04220 155 3PY -0.26025 -0.42680 -0.50524 0.43216 -0.04731 156 3PZ -0.16264 -0.15444 -0.00132 0.37562 0.06758 157 4XX -0.02740 0.21019 0.25771 0.24133 -0.03270 158 4YY 0.09864 -0.13816 -0.25255 -0.00465 0.00150 159 4ZZ -0.08641 -0.01637 0.02546 -0.20388 -0.01290 160 4XY -0.08049 -0.10573 0.08621 -0.39349 0.02288 161 4XZ -0.05834 0.24541 0.33187 0.01715 -0.00593 162 4YZ -0.05217 -0.06807 -0.02306 -0.19043 0.00877 163 15 H 1S -0.01847 0.05191 0.13353 -0.19141 0.00339 164 2S 0.12051 0.21963 0.18065 -0.10094 -0.00038 165 16 H 1S 0.00462 -0.04234 -0.09941 0.20878 -0.01179 166 2S -0.09061 -0.10063 -0.11425 0.13092 -0.00086 167 17 C 1S -0.00958 0.01531 0.01779 0.01256 -0.03161 168 2S 0.05894 -0.00525 -0.19553 -0.15629 0.20949 169 2PX 0.01175 -0.02471 -0.04621 -0.10949 0.02332 170 2PY -0.11719 0.15543 0.36155 0.26176 -0.04069 171 2PZ -0.01913 0.03300 0.10255 0.00734 -0.01373 172 3S 0.46061 0.05553 -0.88737 -0.33941 0.13655 173 3PX -0.00579 -0.40440 -0.41356 0.38460 0.07312 174 3PY -0.24282 0.12559 0.47879 0.23961 -0.01075 175 3PZ -0.07098 -0.18858 -0.18812 0.40587 0.02536 176 4XX -0.05414 0.06023 0.24048 0.01653 -0.10771 177 4YY 0.13550 -0.22181 -0.37892 -0.25191 -0.09712 178 4ZZ -0.08982 0.11937 0.09241 0.20745 -0.12157 179 4XY -0.04783 0.09688 -0.05750 0.38920 -0.03138 180 4XZ -0.00915 0.02822 0.06865 0.05224 -0.00762 181 4YZ 0.01618 -0.08789 -0.25681 0.18318 0.00434 182 18 H 1S 0.00704 0.03727 0.09569 -0.21076 0.01057 183 2S 0.03749 0.11101 0.09571 -0.13564 -0.05847 184 19 H 1S -0.01611 -0.03008 -0.13522 0.19269 0.00478 185 2S 0.00167 -0.20423 -0.16718 0.10495 0.00330 176 177 178 179 180 V V V V V Eigenvalues -- 3.97880 4.07130 4.11988 4.15282 4.19824 1 1 S 1S 0.13049 -0.07311 -0.03294 0.00666 -0.01557 2 2S -0.58449 0.43336 0.21379 -0.03022 0.08908 3 2PX -0.03380 0.00723 0.00658 -0.00243 0.00148 4 2PY 0.02800 -0.00204 -0.00179 -0.00245 -0.00200 5 2PZ -0.03439 -0.01042 -0.00665 -0.00013 0.00685 6 3S 5.10607 -2.77583 -1.23568 0.26905 -0.58763 7 3PX 0.17382 -0.03230 -0.04928 0.01625 -0.01417 8 3PY -0.31113 -0.02592 -0.00983 0.02898 0.01643 9 3PZ 0.28578 0.18325 0.08172 -0.00798 -0.07595 10 4S -2.39455 -2.35915 -1.19672 0.04564 0.06847 11 4PX 0.72749 1.03296 0.54258 0.00126 0.06214 12 4PY -0.49951 -0.39948 -0.21844 0.03538 0.18171 13 4PZ 0.24826 0.20840 0.09108 -0.01368 -0.13625 14 5XX -2.15802 1.38889 0.65359 -0.12795 0.28126 15 5YY -2.37201 1.41187 0.67334 -0.11386 0.33256 16 5ZZ -2.18170 1.40904 0.67289 -0.11787 0.27688 17 5XY -0.10816 -0.02758 -0.00958 -0.01023 -0.00060 18 5XZ -0.04002 -0.04265 -0.01564 0.00932 0.03481 19 5YZ 0.06689 -0.02472 -0.00605 0.00686 0.00032 20 2 O 1S -0.28873 -0.22923 -0.08675 0.03695 0.04992 21 2S -0.36158 -0.23234 -0.11775 0.01398 0.07077 22 2PX 0.03972 0.05458 0.00721 -0.01973 0.00442 23 2PY 0.03532 0.12029 0.05840 -0.00860 -0.01003 24 2PZ -0.01484 -0.05466 -0.01412 0.01421 0.00857 25 3S 3.45067 2.86089 1.20727 -0.35396 -0.60760 26 3PX -0.22390 -0.26496 -0.09053 0.04199 -0.00300 27 3PY -0.82827 -0.47081 -0.22039 0.03456 0.13333 28 3PZ 0.35327 0.18839 0.06311 -0.03776 -0.06555 29 4XX -1.03887 -0.75868 -0.28943 0.12357 0.17985 30 4YY -0.58849 -0.79049 -0.30136 0.12587 0.11849 31 4ZZ -0.96157 -0.77332 -0.28530 0.13190 0.16041 32 4XY 0.06269 0.04264 0.02336 -0.00142 -0.00402 33 4XZ -0.02902 -0.03192 0.00085 0.00978 0.01646 34 4YZ -0.23446 0.01402 0.01970 0.00805 0.04327 35 3 O 1S -0.15074 -0.35050 -0.11891 -0.00010 0.07497 36 2S -0.37429 -0.35178 -0.09520 -0.01907 0.15781 37 2PX -0.03742 0.04891 0.00368 -0.00770 -0.02547 38 2PY -0.06706 -0.07465 -0.02835 -0.00700 0.00770 39 2PZ -0.03634 -0.08688 -0.01645 0.00052 0.05632 40 3S 2.28284 4.09524 1.30282 0.07468 -0.97725 41 3PX 0.05787 -0.20826 0.04175 -0.02188 0.18020 42 3PY 0.42890 0.39661 0.17181 0.01579 -0.03073 43 3PZ 0.35926 0.44671 0.06868 0.04249 -0.22076 44 4XX -0.37974 -1.05441 -0.37003 0.01395 0.21481 45 4YY -0.44562 -1.18213 -0.39395 0.00050 0.28719 46 4ZZ -0.47769 -1.18830 -0.40739 0.00320 0.20744 47 4XY 0.17261 0.04427 0.02613 0.00485 -0.05807 48 4XZ 0.06163 -0.10718 -0.01625 -0.00976 0.03673 49 4YZ 0.15423 0.03789 -0.00289 0.00315 -0.01438 50 4 C 1S -0.08739 -0.09890 -0.05225 -0.02072 -0.23005 51 2S 0.52771 0.70951 0.46515 0.07780 1.46827 52 2PX 0.01462 -0.02539 -0.02173 0.00032 0.06559 53 2PY 0.03183 -0.02070 -0.00805 -0.00233 0.04322 54 2PZ -0.02494 -0.06493 -0.01833 -0.01190 0.15944 55 3S 1.07716 -0.26451 -0.49231 0.43743 0.43823 56 3PX 0.22717 -0.04299 -0.08727 0.08129 -0.07326 57 3PY 0.49317 -0.31136 -0.42924 0.23756 -0.01323 58 3PZ -0.00566 0.12711 0.13070 -0.03179 -0.13495 59 4XX -0.32976 -0.44028 -0.22931 -0.07708 -0.85683 60 4YY -0.31223 -0.40243 -0.26265 -0.06551 -0.89091 61 4ZZ -0.28852 -0.37963 -0.23342 -0.05419 -0.83146 62 4XY 0.00020 -0.04997 -0.02150 0.00197 0.03235 63 4XZ 0.00696 -0.00574 -0.01326 -0.00217 0.05956 64 4YZ -0.03328 -0.01512 0.00013 -0.01793 0.08712 65 5 C 1S -0.07326 -0.10555 -0.07726 -0.01300 -0.01803 66 2S 0.80381 0.48899 0.24914 0.18493 -0.02345 67 2PX 0.00753 -0.07406 -0.06053 0.02221 0.03079 68 2PY -0.00040 -0.06200 -0.00868 -0.00870 -0.01282 69 2PZ 0.03225 0.02796 -0.00845 0.01010 0.01324 70 3S -0.97074 0.32419 0.64094 -0.32543 0.36821 71 3PX -0.36668 -0.35962 0.15894 -0.13897 0.18209 72 3PY -0.46917 0.07121 0.20286 -0.17793 0.18717 73 3PZ -0.36597 0.47607 0.51575 -0.26996 -0.02915 74 4XX -0.36253 -0.37061 -0.22607 -0.08150 0.00210 75 4YY -0.38385 -0.41993 -0.20206 -0.10552 -0.00957 76 4ZZ -0.35302 -0.29729 -0.20952 -0.08041 0.00457 77 4XY -0.01907 -0.01058 -0.05264 0.01598 -0.03321 78 4XZ 0.00121 -0.01514 -0.05043 0.02031 -0.03365 79 4YZ -0.01901 -0.00417 -0.01949 -0.00231 -0.09084 80 6 C 1S -0.03333 0.06835 -0.15545 0.07441 -0.00344 81 2S 0.09770 -0.39677 1.08024 -0.51007 0.16586 82 2PX -0.00237 0.07134 -0.12632 0.15063 0.02356 83 2PY -0.04975 -0.10576 0.03704 -0.00463 0.00039 84 2PZ -0.00578 0.01025 -0.05467 0.09558 0.04826 85 3S 0.59102 -0.64077 -0.21550 0.00623 -0.31921 86 3PX 0.58970 -0.30543 -0.26975 0.28110 -0.06573 87 3PY -0.15759 0.29498 0.07606 -0.17814 0.04793 88 3PZ 0.08338 -0.28306 -0.19896 0.12352 -0.05172 89 4XX -0.06516 0.18728 -0.55525 0.19997 -0.04760 90 4YY -0.06743 0.28166 -0.59750 0.31128 -0.08066 91 4ZZ -0.11688 0.23851 -0.56757 0.29901 -0.03158 92 4XY -0.04090 -0.04004 -0.00890 0.05038 0.04671 93 4XZ -0.00156 -0.07038 0.04789 -0.05886 -0.02834 94 4YZ 0.01414 0.01591 0.02492 0.04790 0.02133 95 7 C 1S 0.00390 0.07661 -0.13187 -0.11497 -0.04435 96 2S 0.01569 -0.84157 0.67367 0.76215 0.39071 97 2PX 0.02613 0.01414 -0.07260 -0.03272 0.02782 98 2PY 0.01177 0.02292 0.12138 0.19085 -0.09069 99 2PZ -0.01942 0.00375 0.00615 0.06513 0.03391 100 3S -0.72747 0.69955 0.82851 0.11221 -0.11174 101 3PX -0.38476 0.35869 0.32301 -0.11556 -0.37026 102 3PY 0.30824 -0.72702 -0.48558 0.29643 0.44629 103 3PZ -0.02585 -0.15748 -0.10369 0.02345 -0.24740 104 4XX 0.00189 0.39642 -0.45128 -0.46809 -0.15784 105 4YY -0.03100 0.38164 -0.35304 -0.29188 -0.28307 106 4ZZ 0.04026 0.37596 -0.43228 -0.48095 -0.17822 107 4XY 0.03925 -0.05807 -0.01180 -0.05743 0.00361 108 4XZ -0.02652 -0.06034 0.00336 -0.01816 0.01098 109 4YZ -0.00495 0.02802 0.07209 0.02431 -0.01948 110 8 C 1S -0.01999 0.04404 -0.00463 0.00930 -0.15825 111 2S -0.47979 -0.17869 0.14987 -0.11848 0.66079 112 2PX -0.03255 0.04716 -0.00477 -0.03146 -0.02101 113 2PY 0.00995 -0.05395 0.00248 0.02137 -0.04135 114 2PZ 0.05519 -0.08202 -0.04291 0.01400 0.05839 115 3S 1.71307 -0.41889 -0.47077 0.16625 0.99232 116 3PX -0.19776 0.72239 0.45123 -0.14287 -0.26250 117 3PY -0.27900 0.44809 0.18967 -0.18658 0.01023 118 3PZ -0.76882 0.09678 0.06665 -0.18841 -0.22597 119 4XX 0.07111 0.10746 -0.00747 0.09451 -0.52429 120 4YY 0.07203 0.13624 -0.07066 0.04623 -0.39097 121 4ZZ 0.10922 0.20900 -0.01511 0.05457 -0.56562 122 4XY -0.00405 0.02162 -0.03270 -0.01781 0.02828 123 4XZ -0.07875 -0.05324 -0.01714 0.02159 -0.01082 124 4YZ -0.04201 0.03883 -0.01553 -0.02499 -0.11337 125 9 C 1S -0.02349 0.00788 0.00192 0.00511 -0.38469 126 2S 0.36554 -0.21698 -0.06399 0.01198 2.38486 127 2PX -0.01155 -0.01621 -0.01767 -0.00732 -0.01774 128 2PY -0.04106 -0.03781 -0.01148 -0.00650 -0.05349 129 2PZ -0.04135 -0.04941 -0.03831 -0.00708 0.04476 130 3S -0.94260 0.70634 0.52637 -0.35147 1.09100 131 3PX 0.12005 -0.08380 -0.05679 0.06386 0.02272 132 3PY -0.15506 0.29435 0.16571 -0.04921 -0.04382 133 3PZ 0.69674 -0.46858 -0.29996 0.22212 -0.02982 134 4XX -0.10800 0.04798 0.01445 0.01261 -1.46871 135 4YY -0.16657 0.07990 0.04621 0.00372 -1.47377 136 4ZZ -0.13774 0.15344 0.05847 0.01500 -1.53203 137 4XY -0.03172 0.01113 0.02209 -0.00127 0.00885 138 4XZ 0.00935 -0.00073 -0.01003 0.00318 -0.01585 139 4YZ 0.03028 0.02368 0.01515 0.01155 0.00895 140 10 H 1S 0.05526 0.03794 0.01709 0.01568 0.11859 141 2S 0.05412 -0.16381 -0.17191 0.05194 -0.18284 142 11 H 1S 0.04371 0.08671 0.09198 -0.01638 0.03094 143 2S -0.22078 -0.00165 0.13090 -0.14246 -0.00934 144 12 H 1S 0.01073 -0.11501 -0.01653 0.02390 0.07241 145 2S 0.20445 -0.13572 -0.05861 0.13221 -0.07160 146 13 H 1S -0.01154 0.00852 0.01194 -0.01261 0.17623 147 2S -0.22124 0.15968 0.08231 -0.05893 -0.31968 148 14 C 1S -0.00178 0.12414 -0.29785 0.28553 0.03052 149 2S 0.04953 -0.84546 1.97344 -1.81129 -0.18578 150 2PX 0.01020 0.00090 0.00486 0.05662 0.03215 151 2PY -0.00666 -0.01129 0.00560 -0.00146 0.00563 152 2PZ 0.00987 0.00869 0.01388 0.03916 0.00882 153 3S 0.21048 -0.53881 0.81577 -0.81597 -0.09033 154 3PX 0.02410 -0.00434 -0.09771 0.14231 -0.00059 155 3PY 0.00599 -0.04145 -0.01931 -0.04210 -0.06900 156 3PZ 0.07149 0.01400 -0.07686 0.05255 -0.00140 157 4XX -0.02652 0.50961 -1.18884 1.17080 0.13918 158 4YY -0.01335 0.48111 -1.17888 1.09862 0.11492 159 4ZZ -0.00230 0.50298 -1.15447 1.12257 0.12116 160 4XY -0.00577 -0.03407 0.02137 -0.00437 0.00025 161 4XZ -0.00364 0.02624 -0.02025 0.04858 0.01666 162 4YZ -0.01038 -0.01097 -0.01120 -0.00203 -0.00555 163 15 H 1S 0.00012 -0.05046 0.12856 -0.10519 -0.00166 164 2S -0.02310 0.13619 -0.24281 0.33573 0.04096 165 16 H 1S 0.00598 -0.04533 0.11309 -0.11148 -0.02145 166 2S 0.01002 0.10942 -0.30338 0.27414 0.00769 167 17 C 1S -0.00385 0.06262 -0.24218 -0.35072 0.04725 168 2S -0.02167 -0.43568 1.62982 2.24127 -0.23724 169 2PX 0.00229 0.00380 -0.01061 -0.01057 0.01598 170 2PY -0.01638 0.04525 0.00505 0.06451 -0.05623 171 2PZ -0.01102 0.00563 -0.00958 0.02736 -0.01872 172 3S 0.00559 0.17670 0.94664 1.02023 -0.50555 173 3PX 0.15115 -0.06275 -0.02993 -0.04837 0.08220 174 3PY -0.00412 -0.12554 0.01510 0.17194 0.11867 175 3PZ 0.06775 -0.05266 0.03265 0.00377 0.16974 176 4XX 0.00237 0.25275 -0.95652 -1.35666 0.16624 177 4YY 0.01045 0.20219 -1.00315 -1.45117 0.23256 178 4ZZ -0.00761 0.25148 -0.94189 -1.35907 0.16584 179 4XY -0.01831 0.00665 0.04230 0.01650 -0.02229 180 4XZ -0.01263 0.00322 -0.01733 -0.00159 -0.01325 181 4YZ 0.01590 -0.00900 -0.01355 -0.03174 -0.00160 182 18 H 1S -0.02162 -0.02541 0.09020 0.13727 -0.01670 183 2S -0.05355 0.09097 -0.23627 -0.33378 -0.02373 184 19 H 1S 0.01238 -0.03664 0.10674 0.13228 0.01056 185 2S 0.05563 0.00554 -0.21783 -0.39619 0.09701 181 182 183 184 185 V V V V V Eigenvalues -- 4.28884 4.37297 4.44487 4.62725 4.84673 1 1 S 1S -0.01079 -0.00173 0.00172 0.00225 -0.01106 2 2S 0.09326 0.02430 0.03481 0.01301 0.03459 3 2PX -0.00168 -0.01737 -0.00406 -0.01430 0.04813 4 2PY 0.00066 -0.00222 -0.00337 -0.00198 0.00188 5 2PZ -0.00003 0.00399 -0.01477 -0.00351 -0.01264 6 3S -0.36837 0.00098 0.11019 0.13738 -0.58638 7 3PX -0.01028 0.13537 0.01911 0.08404 -0.35325 8 3PY -0.03480 -0.00301 0.02549 0.04984 -0.02179 9 3PZ 0.00123 -0.02842 0.16569 0.03375 0.06093 10 4S -0.97396 -0.98628 -0.97916 -0.53427 1.93332 11 4PX 0.41612 0.43357 0.45072 0.27529 -0.84765 12 4PY -0.26180 -0.09368 -0.02276 -0.03608 0.16677 13 4PZ 0.05932 -0.06593 0.08963 0.02473 -0.03614 14 5XX 0.22689 -0.01145 0.03216 -0.07833 0.34150 15 5YY 0.24655 0.00068 -0.00494 0.00200 0.28032 16 5ZZ 0.25981 0.01443 0.06401 0.00159 0.27618 17 5XY 0.01413 -0.03859 -0.05968 -0.00753 0.07162 18 5XZ 0.01195 0.02943 -0.02673 -0.00676 -0.04748 19 5YZ -0.00570 0.01985 0.00616 -0.01295 -0.00560 20 2 O 1S -0.07250 -0.04587 -0.04520 0.00513 0.06928 21 2S -0.11003 -0.08838 -0.10788 -0.01306 0.19233 22 2PX -0.00184 0.01894 0.01341 -0.01770 -0.01962 23 2PY 0.03560 0.01149 0.01746 -0.00764 -0.00593 24 2PZ -0.00294 0.00101 -0.01152 0.01114 -0.00385 25 3S 1.02593 0.69203 0.72644 0.06946 -1.21890 26 3PX -0.05411 -0.10288 -0.09572 0.00267 0.17563 27 3PY -0.18170 -0.13917 -0.17702 -0.00571 0.25540 28 3PZ 0.05263 0.05234 0.06790 -0.02268 -0.08901 29 4XX -0.24974 -0.14649 -0.15804 0.01523 0.21981 30 4YY -0.22705 -0.12035 -0.11950 0.01510 0.16370 31 4ZZ -0.23438 -0.15870 -0.13783 0.03661 0.22144 32 4XY 0.02302 0.01881 0.01336 0.00684 -0.03220 33 4XZ 0.01634 0.00853 -0.02219 0.01048 0.00018 34 4YZ 0.01038 -0.00906 -0.01911 0.02059 0.01926 35 3 O 1S -0.00146 -0.10128 -0.18857 -0.10093 0.23440 36 2S 0.00170 -0.28422 -0.31874 -0.23693 0.56751 37 2PX -0.04038 0.00462 0.03118 0.02968 -0.01763 38 2PY 0.00651 -0.01461 -0.02337 -0.04601 0.06266 39 2PZ 0.01948 -0.03234 -0.08840 -0.02808 0.06616 40 3S 0.03320 1.69996 2.66318 1.63713 -4.49736 41 3PX 0.17593 -0.26420 -0.12914 -0.23711 0.50923 42 3PY 0.05757 0.10798 0.17920 0.21829 -0.40006 43 3PZ -0.04593 0.36923 0.45298 0.26421 -0.78411 44 4XX -0.00086 -0.20173 -0.69301 -0.30106 0.82896 45 4YY 0.00288 -0.35342 -0.63135 -0.31732 0.71586 46 4ZZ 0.01503 -0.31449 -0.55354 -0.34155 0.70003 47 4XY 0.04135 0.04407 0.03373 -0.02105 0.01027 48 4XZ -0.00013 -0.10010 0.02462 -0.03032 -0.02586 49 4YZ -0.04611 -0.03591 0.03673 0.04929 -0.07416 50 4 C 1S 0.08676 0.30712 0.25078 -0.06229 0.04505 51 2S -0.36940 -1.78137 -1.23340 0.05592 -0.09472 52 2PX -0.01562 0.08824 0.10167 -0.01043 -0.01017 53 2PY 0.03322 0.20425 0.19194 -0.03164 -0.04704 54 2PZ -0.03355 -0.01277 0.08462 -0.01638 0.06957 55 3S -0.64712 -1.14255 -1.59935 1.71983 -4.02277 56 3PX -0.00392 0.00479 -0.20489 0.23370 -0.60911 57 3PY -0.28730 0.08412 -0.49664 1.01504 -1.98957 58 3PZ 0.14494 -0.12513 -0.21483 -0.17080 0.63296 59 4XX 0.31951 1.19108 0.94292 -0.21843 0.12484 60 4YY 0.26215 1.26159 1.00062 -0.10474 0.08313 61 4ZZ 0.32526 1.38610 1.01824 -0.19614 0.25822 62 4XY 0.00487 0.05463 0.10820 -0.01571 -0.06748 63 4XZ -0.03136 0.08926 0.08974 -0.01060 0.05918 64 4YZ -0.02230 0.00649 0.12957 -0.02641 -0.02514 65 5 C 1S -0.10599 -0.11666 0.21594 0.07760 -0.53210 66 2S 0.42281 1.47090 -0.78845 0.22111 0.92908 67 2PX -0.02201 -0.00441 0.00423 0.01334 -0.11243 68 2PY 0.02702 -0.00849 0.03362 0.01636 -0.14665 69 2PZ -0.03029 0.01010 0.04427 0.03255 -0.21260 70 3S 0.76923 -1.06150 -2.19550 -1.83388 8.62309 71 3PX 0.18244 -0.44673 -0.22907 -0.39870 1.18538 72 3PY 0.04386 -0.82191 -0.53705 -0.48607 2.17476 73 3PZ 0.22889 -0.56474 -0.18796 -0.56796 2.18030 74 4XX -0.33556 -0.68674 0.78004 0.10669 -1.56986 75 4YY -0.28104 -0.75955 0.72856 0.00973 -1.55031 76 4ZZ -0.40931 -0.78682 0.66301 0.17100 -1.59166 77 4XY -0.07597 0.05570 -0.01427 0.09740 -0.01613 78 4XZ -0.04002 0.01000 -0.04718 0.00320 0.00070 79 4YZ 0.02884 0.09291 0.09093 -0.04841 -0.00582 80 6 C 1S -0.27123 0.10778 -0.09798 0.33050 0.03399 81 2S 1.42782 -0.87006 0.38189 -1.81924 -0.06178 82 2PX 0.13948 -0.03566 -0.00342 -0.04655 0.00058 83 2PY 0.02179 -0.00208 0.04587 0.03636 0.00675 84 2PZ 0.11154 -0.03634 0.01164 0.01108 -0.02272 85 3S 1.05446 0.32389 1.15029 -2.01413 -2.66862 86 3PX -0.12760 0.80564 0.58074 -0.02681 -2.13313 87 3PY -0.06302 -0.79780 -0.67099 -0.59359 1.88913 88 3PZ -0.10359 0.15301 0.11175 -0.51212 -0.11102 89 4XX -1.18013 0.58270 -0.37132 1.54834 0.00705 90 4YY -0.95168 0.54222 -0.39304 1.29743 0.22455 91 4ZZ -0.97588 0.48627 -0.30096 1.39708 0.08645 92 4XY 0.10084 -0.13113 0.02046 -0.01247 -0.02116 93 4XZ -0.05366 0.05886 0.03835 0.28188 -0.04288 94 4YZ 0.09630 -0.01384 -0.00987 0.09609 0.02554 95 7 C 1S -0.30644 0.04449 -0.06222 -0.33702 0.00673 96 2S 1.64403 -0.23284 0.33426 1.75629 0.13652 97 2PX -0.00222 0.07046 -0.03333 0.02713 -0.02492 98 2PY -0.17641 0.01440 -0.00944 -0.03425 -0.05246 99 2PZ -0.05301 0.07014 -0.00545 0.05226 -0.05143 100 3S 1.28734 -1.04629 0.37836 2.44229 1.98736 101 3PX -0.04885 -0.68051 -0.02690 -0.31286 1.44512 102 3PY 0.20504 0.69843 0.25264 -0.37792 -1.33078 103 3PZ -0.02790 -0.29111 -0.11040 -0.50305 0.48153 104 4XX -1.11280 0.25145 -0.29467 -1.29856 -0.09550 105 4YY -1.35678 0.13317 -0.28728 -1.58959 0.02350 106 4ZZ -1.08409 0.17647 -0.20006 -1.34649 -0.02432 107 4XY 0.10526 -0.08757 0.06033 0.00562 0.03527 108 4XZ 0.05344 0.03805 -0.04830 -0.10146 -0.07824 109 4YZ -0.01636 -0.08342 0.08636 -0.19197 0.01757 110 8 C 1S -0.12502 -0.32075 0.23529 0.01747 0.39930 111 2S 0.48045 1.19623 -1.57542 -0.53465 -0.57752 112 2PX -0.03565 0.03555 -0.05879 -0.03901 -0.04164 113 2PY 0.04986 0.03363 -0.03938 0.00036 -0.11824 114 2PZ -0.01037 0.07162 -0.02749 0.01944 -0.20078 115 3S 0.89697 3.04554 -1.21284 0.52583 -6.45399 116 3PX 0.06118 -0.46441 0.08861 -0.12463 1.41210 117 3PY -0.04794 -0.20595 0.12374 -0.26596 1.10908 118 3PZ -0.22572 -0.68158 -0.21108 -0.26899 1.86378 119 4XX -0.31088 -1.11253 0.97193 0.28247 1.14022 120 4YY -0.46610 -1.05374 1.12585 0.20587 1.16986 121 4ZZ -0.41358 -1.05992 1.00697 0.17199 1.13187 122 4XY -0.09687 0.05745 0.04628 -0.08432 -0.01066 123 4XZ 0.05227 -0.02110 0.04019 0.11284 -0.03003 124 4YZ -0.02404 -0.00603 -0.06825 0.00080 -0.03989 125 9 C 1S 0.08549 -0.12753 -0.25485 0.04457 -0.08014 126 2S -0.42246 0.61544 1.27576 -0.07291 0.35070 127 2PX -0.00565 0.11060 0.07417 -0.00705 -0.00099 128 2PY 0.05461 0.12913 0.00292 0.00828 -0.01311 129 2PZ -0.02183 0.17001 0.21065 -0.01489 -0.00797 130 3S -0.36318 0.27376 2.37460 -1.32451 3.60660 131 3PX 0.02296 -0.08822 -0.15173 0.26082 -0.38018 132 3PY -0.11375 -0.31012 0.16636 -0.23595 0.79935 133 3PZ 0.08809 0.03725 -0.65130 0.68886 -1.69562 134 4XX 0.31179 -0.49521 -0.98951 0.11647 -0.27262 135 4YY 0.34911 -0.45138 -1.17118 0.12615 -0.39119 136 4ZZ 0.30074 -0.59215 -0.98123 0.15524 -0.28055 137 4XY 0.02081 -0.05523 -0.12766 0.01957 -0.06327 138 4XZ -0.04637 -0.10565 -0.08561 -0.01555 0.00676 139 4YZ -0.01094 -0.14614 -0.07668 0.05478 0.02159 140 10 H 1S -0.02954 -0.09737 -0.13349 0.03389 -0.01561 141 2S -0.02017 0.30840 0.09280 0.24154 -0.43168 142 11 H 1S 0.04975 0.02278 -0.02952 -0.00714 0.08938 143 2S -0.03886 -0.43875 0.10869 -0.14051 0.22973 144 12 H 1S 0.01988 0.04937 -0.07750 -0.02252 -0.05869 145 2S -0.05704 -0.07367 0.33182 0.15381 -0.32111 146 13 H 1S -0.02457 0.05248 0.06277 -0.03850 0.07499 147 2S 0.02066 -0.13526 -0.07621 -0.15260 0.33475 148 14 C 1S 0.16053 -0.03730 0.01708 -0.10460 -0.01175 149 2S -0.83428 0.26829 -0.11723 0.53024 0.10614 150 2PX 0.20560 -0.08766 0.03108 -0.26132 0.00776 151 2PY -0.04302 0.00655 -0.00289 0.07811 -0.02516 152 2PZ 0.11906 -0.04912 0.02986 -0.12553 -0.00750 153 3S -1.11539 0.61988 0.12027 0.91056 -0.85501 154 3PX -0.17049 0.10495 0.07074 0.07364 -0.19599 155 3PY 0.05656 0.25781 0.14565 0.12909 -0.32781 156 3PZ -0.09156 0.19526 0.08933 0.16837 -0.40373 157 4XX 0.76663 -0.25176 0.10258 -0.65129 -0.01764 158 4YY 0.56972 -0.16154 0.06562 -0.40388 -0.06041 159 4ZZ 0.64838 -0.16481 0.08719 -0.40507 -0.07483 160 4XY -0.02939 0.04074 0.00363 0.12128 -0.03664 161 4XZ 0.12122 -0.07895 0.03965 -0.15703 -0.02696 162 4YZ -0.03822 0.00993 0.01646 0.03415 -0.04459 163 15 H 1S -0.02173 -0.01313 -0.02011 0.03225 0.05194 164 2S 0.13735 -0.16546 -0.02644 -0.22797 0.14132 165 16 H 1S -0.03415 0.03892 -0.00395 0.02364 0.00516 166 2S 0.16599 0.08043 0.07404 -0.08075 -0.15604 167 17 C 1S 0.16154 -0.04011 -0.00577 0.08775 0.02803 168 2S -0.84533 0.24684 -0.02499 -0.48243 -0.12090 169 2PX 0.05007 0.01422 -0.00271 0.06177 -0.01673 170 2PY -0.25304 0.01849 -0.01756 -0.25449 -0.00360 171 2PZ -0.05063 0.02024 -0.02153 -0.03660 -0.01038 172 3S -1.20339 -0.08428 -0.14749 -0.73106 0.33412 173 3PX -0.04562 0.08102 0.03753 0.08969 -0.28381 174 3PY 0.22500 0.06931 0.03752 0.06027 -0.11893 175 3PZ 0.05596 0.08906 0.10862 0.11182 -0.22591 176 4XX 0.58354 -0.15347 -0.01295 0.33806 0.09009 177 4YY 0.84848 -0.17017 0.03889 0.63493 0.08791 178 4ZZ 0.59222 -0.16503 -0.01354 0.30480 0.11165 179 4XY -0.05043 -0.02597 -0.00257 -0.11388 0.04348 180 4XZ -0.03357 -0.01945 0.01377 0.01855 0.03104 181 4YZ 0.06273 -0.03313 0.02805 0.05176 0.01406 182 18 H 1S -0.03208 0.02529 -0.01618 -0.02543 0.00101 183 2S 0.15741 -0.07158 -0.05661 0.08481 0.13396 184 19 H 1S -0.02299 0.01743 0.01204 -0.03430 -0.03712 185 2S 0.14415 0.00439 0.04271 0.20715 -0.10803 Density Matrix: 1 2 3 4 5 1 1 S 1S 2.15431 2 2S -0.60223 2.36010 3 2PX -0.00654 0.03059 2.06850 4 2PY 0.00384 -0.01943 -0.01904 2.05635 5 2PZ -0.00290 0.01530 -0.00266 -0.00645 2.05117 6 3S 0.04157 -0.43927 -0.06949 0.03695 -0.02534 7 3PX 0.01802 -0.08368 -0.21297 0.05372 0.00846 8 3PY -0.01122 0.05656 0.05400 -0.17334 0.01498 9 3PZ 0.00793 -0.04000 0.00958 0.01459 -0.16370 10 4S 0.06013 -0.24571 -0.11396 0.10495 -0.07274 11 4PX 0.00683 -0.03408 -0.09367 0.02179 0.01233 12 4PY -0.00849 0.03950 0.02905 -0.04673 -0.01293 13 4PZ 0.00704 -0.03101 -0.00365 0.00075 -0.05858 14 5XX 0.02368 -0.02294 0.00801 0.01107 -0.00518 15 5YY 0.02323 -0.01977 0.00013 -0.01841 0.00871 16 5ZZ 0.02452 -0.02699 0.00363 0.00636 -0.00304 17 5XY -0.00196 0.00995 0.00406 0.00031 0.00575 18 5XZ 0.00034 -0.00168 -0.00284 0.00717 0.01438 19 5YZ -0.00062 0.00236 0.00124 0.01362 -0.01107 20 2 O 1S 0.00064 -0.00108 -0.00159 0.01679 -0.00847 21 2S -0.00128 0.00400 0.00457 -0.04119 0.01681 22 2PX -0.00973 0.05018 -0.05118 -0.01650 -0.00467 23 2PY -0.01927 0.07956 -0.01759 0.14225 -0.10986 24 2PZ 0.00666 -0.02764 -0.00953 -0.10621 -0.03232 25 3S -0.01663 0.06996 0.01314 -0.00157 0.01683 26 3PX -0.00847 0.04362 -0.01912 -0.01723 -0.00668 27 3PY -0.00774 0.02756 -0.01845 0.08261 -0.06882 28 3PZ 0.00126 -0.00316 -0.00753 -0.06442 -0.01798 29 4XX 0.00019 0.00017 0.00052 0.00220 -0.00236 30 4YY 0.00251 -0.01167 0.00050 -0.00831 0.00946 31 4ZZ 0.00048 -0.00148 -0.00046 -0.00356 -0.00687 32 4XY 0.00033 -0.00185 0.00753 -0.00092 0.00116 33 4XZ -0.00017 0.00092 -0.00341 0.00049 0.00009 34 4YZ -0.00111 0.00577 0.00006 0.00957 0.00217 35 3 O 1S 0.00182 -0.00838 -0.01145 -0.00215 -0.00746 36 2S -0.00410 0.01960 0.01893 0.00610 0.01241 37 2PX 0.00156 -0.00451 0.05147 0.04282 0.05245 38 2PY 0.00894 -0.04059 0.05364 0.02780 0.05831 39 2PZ 0.00552 -0.01826 0.07237 0.05302 0.03826 40 3S -0.01622 0.07688 0.04950 -0.02772 0.01878 41 3PX -0.00217 0.01175 0.02879 0.01773 0.03346 42 3PY 0.00564 -0.02419 0.03389 0.01534 0.04551 43 3PZ 0.00199 -0.00131 0.05845 0.03338 0.03397 44 4XX 0.00109 -0.00498 -0.00741 0.00321 -0.00030 45 4YY 0.00069 -0.00346 0.00111 -0.00043 0.00269 46 4ZZ 0.00080 -0.00336 0.00294 0.00480 -0.00158 47 4XY 0.00075 -0.00350 0.00169 0.00208 0.00410 48 4XZ 0.00067 -0.00356 0.00152 0.00379 0.00194 49 4YZ 0.00096 -0.00427 0.00759 0.00227 0.00321 50 4 C 1S 0.00025 -0.00085 0.00289 0.00148 -0.00107 51 2S -0.00003 0.00003 -0.00568 -0.00244 0.00323 52 2PX -0.00305 0.01139 -0.02025 0.00649 0.02853 53 2PY 0.00078 -0.00271 0.00195 -0.00560 -0.00505 54 2PZ 0.00060 -0.00105 0.01103 0.00162 -0.00718 55 3S 0.00360 -0.01538 -0.00070 -0.01382 -0.00530 56 3PX -0.00182 0.00701 -0.01344 0.00305 0.02228 57 3PY 0.00296 -0.01121 0.00714 -0.00677 -0.00936 58 3PZ 0.00006 0.00162 0.00960 -0.00105 -0.00020 59 4XX -0.00001 0.00015 0.00067 0.00044 0.00041 60 4YY 0.00015 -0.00045 -0.00007 0.00010 0.00000 61 4ZZ 0.00031 -0.00118 0.00048 0.00022 -0.00052 62 4XY -0.00019 0.00065 0.00018 -0.00008 0.00037 63 4XZ -0.00007 0.00034 0.00038 -0.00022 0.00053 64 4YZ 0.00009 -0.00026 0.00045 0.00025 0.00031 65 5 C 1S -0.00005 -0.00016 0.00490 0.00026 0.00055 66 2S 0.00150 -0.00562 -0.01036 0.00029 -0.00242 67 2PX 0.00032 -0.00274 -0.02935 -0.00756 -0.01347 68 2PY -0.00159 0.00683 -0.01480 -0.00151 -0.00694 69 2PZ -0.00175 0.00745 0.00213 -0.00595 0.00035 70 3S -0.00230 0.00816 -0.02767 0.00681 0.01322 71 3PX -0.00048 -0.00040 -0.01918 -0.00572 -0.00288 72 3PY -0.00294 0.01079 -0.01189 0.00059 -0.00478 73 3PZ -0.00566 0.02332 0.00655 -0.00685 0.00460 74 4XX -0.00029 0.00101 0.00088 -0.00033 -0.00158 75 4YY 0.00015 -0.00083 0.00075 0.00102 0.00115 76 4ZZ 0.00030 -0.00133 -0.00047 -0.00066 -0.00096 77 4XY 0.00015 -0.00085 0.00244 0.00011 0.00010 78 4XZ 0.00018 -0.00080 0.00271 0.00261 0.00350 79 4YZ 0.00006 -0.00001 0.00154 0.00068 0.00022 80 6 C 1S 0.00051 -0.00242 0.00360 -0.00026 -0.00069 81 2S -0.00117 0.00610 -0.00613 0.00024 0.00210 82 2PX -0.00142 0.00616 -0.01020 0.00327 0.00526 83 2PY 0.00120 -0.00569 0.00366 0.00010 0.00142 84 2PZ -0.00018 0.00139 0.00049 -0.00227 -0.00260 85 3S 0.00101 -0.00611 -0.01616 0.00903 -0.00868 86 3PX 0.00203 -0.00929 -0.00708 0.00301 0.00275 87 3PY 0.00024 -0.00173 -0.00330 0.00963 0.00230 88 3PZ 0.00195 -0.00691 -0.00135 0.00473 -0.00407 89 4XX -0.00003 0.00014 -0.00001 0.00005 0.00029 90 4YY 0.00003 0.00021 0.00080 -0.00012 -0.00002 91 4ZZ 0.00026 -0.00081 0.00067 0.00035 -0.00066 92 4XY -0.00005 0.00022 0.00031 0.00015 0.00064 93 4XZ -0.00005 0.00022 -0.00027 0.00038 -0.00007 94 4YZ -0.00003 0.00008 -0.00007 0.00035 0.00034 95 7 C 1S 0.00030 -0.00188 0.00382 -0.00164 -0.00372 96 2S -0.00069 0.00408 -0.01129 0.00425 0.00594 97 2PX -0.00262 0.00992 -0.01576 0.00326 0.01852 98 2PY -0.00012 0.00127 0.00807 -0.00456 -0.00544 99 2PZ 0.00219 -0.00956 -0.00427 0.00431 -0.00417 100 3S -0.00361 0.00889 -0.02222 0.00916 0.02255 101 3PX -0.00292 0.00831 -0.02629 0.01338 0.02193 102 3PY 0.00241 -0.00804 0.01307 0.00792 -0.01063 103 3PZ 0.00249 -0.01213 -0.00628 0.01057 -0.01371 104 4XX -0.00009 0.00011 0.00202 -0.00102 -0.00180 105 4YY -0.00026 0.00085 -0.00218 0.00066 -0.00029 106 4ZZ 0.00009 -0.00040 -0.00123 0.00031 0.00070 107 4XY 0.00011 -0.00035 -0.00133 0.00014 0.00069 108 4XZ -0.00018 0.00082 -0.00249 0.00064 0.00175 109 4YZ -0.00007 0.00035 0.00200 -0.00062 -0.00114 110 8 C 1S 0.00004 -0.00086 -0.01530 0.00472 0.01210 111 2S -0.00347 0.01312 0.01599 -0.00545 -0.01444 112 2PX 0.00334 -0.01367 0.06129 -0.01986 -0.06483 113 2PY -0.00013 0.00002 -0.01162 -0.00109 0.01194 114 2PZ -0.00593 0.02565 -0.07003 0.01787 0.07035 115 3S 0.00346 0.00043 0.09728 -0.03844 -0.05067 116 3PX -0.00361 0.01239 0.02074 -0.01657 -0.03309 117 3PY -0.00309 0.01032 -0.02443 -0.01129 0.01278 118 3PZ -0.00153 0.00138 -0.07057 0.02566 0.04114 119 4XX 0.00071 -0.00358 -0.00298 0.00084 -0.00345 120 4YY -0.00092 0.00361 -0.00323 0.00073 0.00356 121 4ZZ 0.00023 -0.00122 0.00451 -0.00128 -0.00126 122 4XY -0.00031 0.00133 -0.00027 -0.00179 0.00071 123 4XZ -0.00168 0.00706 -0.00455 0.00086 0.00700 124 4YZ 0.00000 -0.00012 0.00074 0.00173 -0.00036 125 9 C 1S 0.00093 -0.00444 0.00207 -0.00003 -0.00378 126 2S -0.00110 0.00613 -0.00267 -0.00301 0.00852 127 2PX -0.00481 0.01934 -0.00042 -0.00180 0.01000 128 2PY -0.00128 0.00617 -0.01106 0.00128 0.00807 129 2PZ 0.00320 -0.01346 0.00383 -0.00029 -0.01095 130 3S -0.00919 0.03251 -0.03074 0.00324 0.02191 131 3PX -0.00463 0.01891 -0.00108 -0.00485 0.01733 132 3PY -0.00206 0.00745 -0.01487 -0.00194 0.00856 133 3PZ 0.00588 -0.02214 0.02239 -0.01109 -0.01133 134 4XX 0.00042 -0.00177 0.00127 -0.00062 -0.00207 135 4YY -0.00017 0.00068 -0.00159 -0.00008 0.00169 136 4ZZ 0.00007 -0.00046 0.00058 -0.00059 -0.00028 137 4XY -0.00024 0.00096 0.00153 -0.00045 -0.00111 138 4XZ -0.00003 0.00025 -0.00107 -0.00041 0.00043 139 4YZ 0.00005 -0.00011 -0.00179 0.00066 0.00186 140 10 H 1S -0.00013 0.00071 0.00012 0.00084 -0.00151 141 2S 0.00001 0.00066 0.00028 0.00074 -0.00125 142 11 H 1S 0.00126 -0.00479 0.01580 0.00792 0.00988 143 2S -0.00147 0.00687 0.02411 0.00522 0.01146 144 12 H 1S -0.00323 0.01423 -0.00590 0.00032 0.01380 145 2S -0.00337 0.01487 0.00059 0.00424 0.02439 146 13 H 1S 0.00072 -0.00309 0.00499 -0.00249 -0.00594 147 2S -0.00008 -0.00043 0.00028 0.00066 -0.00945 148 14 C 1S -0.00010 0.00046 0.00005 0.00030 0.00031 149 2S 0.00022 -0.00106 -0.00031 -0.00054 -0.00107 150 2PX 0.00058 -0.00260 0.00530 -0.00145 -0.00417 151 2PY 0.00002 -0.00009 0.00365 0.00088 -0.00134 152 2PZ 0.00013 -0.00035 -0.00315 0.00102 0.00499 153 3S 0.00208 -0.00852 -0.00322 -0.00133 0.00226 154 3PX 0.00076 -0.00289 0.00560 -0.00113 -0.00192 155 3PY 0.00003 -0.00024 0.00343 -0.00324 -0.00351 156 3PZ 0.00007 -0.00063 -0.00291 -0.00082 0.00659 157 4XX 0.00001 -0.00004 -0.00024 0.00010 0.00023 158 4YY -0.00003 0.00016 -0.00001 0.00016 0.00008 159 4ZZ 0.00002 -0.00013 0.00011 -0.00021 -0.00032 160 4XY 0.00005 -0.00021 0.00007 -0.00014 -0.00015 161 4XZ -0.00001 -0.00001 0.00008 -0.00031 -0.00003 162 4YZ 0.00003 -0.00012 0.00005 0.00005 -0.00003 163 15 H 1S -0.00026 0.00121 -0.00050 0.00116 0.00139 164 2S -0.00064 0.00295 0.00102 0.00244 0.00179 165 16 H 1S 0.00001 -0.00014 -0.00058 -0.00101 -0.00103 166 2S 0.00000 -0.00011 0.00221 -0.00204 -0.00039 167 17 C 1S -0.00003 -0.00009 -0.00095 0.00007 0.00156 168 2S 0.00006 0.00056 0.00331 -0.00200 -0.00294 169 2PX -0.00077 0.00318 -0.01748 0.00519 0.01380 170 2PY -0.00045 0.00084 -0.01178 0.00364 0.01225 171 2PZ 0.00139 -0.00564 0.02242 -0.00565 -0.01929 172 3S -0.00160 0.00607 -0.00234 -0.00563 -0.00177 173 3PX -0.00044 0.00163 -0.01608 0.00614 0.01041 174 3PY 0.00039 -0.00191 -0.00554 0.00405 0.00519 175 3PZ 0.00083 -0.00210 0.02460 -0.00844 -0.01318 176 4XX 0.00001 0.00015 0.00004 -0.00055 0.00027 177 4YY 0.00017 -0.00043 0.00055 -0.00050 0.00007 178 4ZZ 0.00006 -0.00004 0.00022 -0.00049 0.00024 179 4XY 0.00004 -0.00021 0.00092 -0.00007 -0.00079 180 4XZ 0.00001 -0.00003 -0.00004 -0.00001 0.00020 181 4YZ -0.00009 0.00035 0.00026 -0.00007 -0.00006 182 18 H 1S 0.00017 -0.00056 0.00265 -0.00076 -0.00118 183 2S 0.00018 -0.00080 0.00129 0.00028 -0.00133 184 19 H 1S -0.00010 0.00027 -0.00317 0.00057 0.00332 185 2S -0.00002 -0.00002 -0.00630 0.00206 0.00644 6 7 8 9 10 6 3S 1.34166 7 3PX 0.17573 0.72448 8 3PY -0.10454 -0.14250 0.61524 9 3PZ 0.07388 -0.03172 -0.03911 0.59005 10 4S 0.45671 0.28934 -0.25543 0.14286 0.45679 11 4PX 0.08912 0.21436 -0.06542 -0.01670 0.06045 12 4PY -0.08291 -0.08021 0.09423 0.03014 -0.08562 13 4PZ 0.06252 0.00986 -0.00436 0.11565 0.04668 14 5XX -0.02286 -0.02804 -0.03254 0.01643 0.00256 15 5YY -0.02588 0.00501 0.05541 -0.02584 -0.04320 16 5ZZ -0.01572 -0.00776 -0.01717 0.00835 0.00974 17 5XY -0.01557 -0.01265 -0.00757 -0.01714 -0.05980 18 5XZ 0.00265 0.00804 -0.02132 -0.04769 0.01872 19 5YZ -0.00778 -0.00514 -0.04243 0.03067 0.00932 20 2 O 1S 0.02561 0.00481 -0.02540 0.01247 0.03016 21 2S -0.05900 -0.01601 0.07037 -0.02845 -0.08773 22 2PX -0.09282 0.12071 0.04363 0.01714 -0.24843 23 2PY -0.21526 0.05416 -0.37268 0.28572 0.14939 24 2PZ 0.07206 0.02775 0.27486 0.07812 -0.06592 25 3S -0.21792 -0.02985 -0.07370 0.00951 -0.11672 26 3PX -0.08487 0.03712 0.04979 0.01715 -0.20492 27 3PY -0.07479 0.05517 -0.19163 0.16168 0.10980 28 3PZ 0.00879 0.02155 0.15439 0.04824 -0.05228 29 4XX -0.00080 -0.00156 -0.00227 0.00241 0.00444 30 4YY 0.02647 -0.00493 0.02165 -0.02328 -0.00579 31 4ZZ 0.00288 -0.00019 0.01090 0.01219 0.00033 32 4XY 0.00336 -0.01540 0.00137 -0.00205 0.00938 33 4XZ -0.00154 0.00711 -0.00073 -0.00011 -0.00430 34 4YZ -0.01298 0.00117 -0.02135 -0.00389 0.00522 35 3 O 1S 0.02745 0.02243 -0.00161 0.01116 0.04551 36 2S -0.06258 -0.04347 -0.00173 -0.01945 -0.10096 37 2PX 0.00231 -0.13689 -0.10345 -0.13043 -0.12916 38 2PY 0.08129 -0.13492 -0.07306 -0.15409 0.05210 39 2PZ 0.06870 -0.18998 -0.13911 -0.10481 -0.15698 40 3S -0.19299 -0.07848 0.09526 -0.01362 -0.25108 41 3PX -0.03077 -0.07768 -0.03294 -0.06614 -0.10657 42 3PY 0.04380 -0.07232 -0.03470 -0.10254 0.03469 43 3PZ 0.01675 -0.13773 -0.07507 -0.08293 -0.14821 44 4XX 0.00875 0.01555 -0.00614 -0.00027 0.01422 45 4YY 0.00641 -0.00503 -0.00029 -0.00644 0.00856 46 4ZZ 0.00736 -0.01032 -0.01011 -0.00004 -0.00322 47 4XY 0.00591 -0.00229 -0.00223 -0.00635 -0.00284 48 4XZ 0.00672 -0.00369 -0.00602 -0.00282 -0.00110 49 4YZ 0.00812 -0.01566 -0.00342 -0.00584 -0.00447 50 4 C 1S 0.00251 -0.00773 -0.00301 0.00310 -0.00520 51 2S -0.00291 0.01494 0.00907 -0.00800 0.01665 52 2PX -0.04112 0.05963 -0.01671 -0.08281 0.00698 53 2PY 0.01030 -0.00485 0.01485 0.01450 0.00328 54 2PZ 0.01241 -0.03180 -0.00684 0.01969 -0.02915 55 3S -0.00213 0.05164 0.02624 -0.01294 0.03107 56 3PX -0.03075 0.04815 -0.01197 -0.07063 -0.00341 57 3PY 0.00903 0.00603 0.01334 0.01192 0.00140 58 3PZ 0.00438 -0.02582 0.00121 0.00683 -0.02768 59 4XX -0.00135 -0.00150 -0.00020 -0.00113 -0.00154 60 4YY -0.00006 0.00160 0.00072 0.00014 -0.00003 61 4ZZ 0.00269 -0.00090 0.00029 0.00108 0.00215 62 4XY -0.00169 -0.00029 -0.00041 -0.00153 -0.00155 63 4XZ -0.00141 -0.00081 0.00067 -0.00140 -0.00019 64 4YZ 0.00117 -0.00126 -0.00094 -0.00062 -0.00030 65 5 C 1S -0.00386 -0.01049 0.00072 -0.00191 -0.00616 66 2S 0.01245 0.03715 -0.00082 -0.00138 0.01824 67 2PX 0.00620 0.08280 0.01980 0.03179 0.04381 68 2PY -0.01927 0.04452 0.00430 0.01932 -0.01282 69 2PZ -0.02558 -0.00235 0.02058 0.00239 -0.01579 70 3S 0.02478 0.01272 -0.02627 0.00821 0.02344 71 3PX 0.01349 0.03684 0.00697 0.01860 0.03016 72 3PY -0.00937 0.00839 -0.00864 0.01985 -0.00186 73 3PZ -0.03047 -0.04297 0.00407 -0.00252 -0.04065 74 4XX -0.00174 -0.00202 0.00079 0.00352 -0.00596 75 4YY 0.00049 -0.00107 -0.00266 -0.00450 0.00107 76 4ZZ 0.00148 0.00291 0.00216 0.00224 0.00560 77 4XY 0.00284 -0.00723 -0.00101 -0.00051 0.00067 78 4XZ 0.00188 -0.00787 -0.00719 -0.01026 -0.00343 79 4YZ 0.00075 -0.00424 -0.00182 -0.00056 -0.00447 80 6 C 1S 0.00416 -0.00878 0.00063 0.00211 0.00929 81 2S -0.01409 0.01756 -0.00193 -0.00433 -0.01794 82 2PX -0.01783 0.02920 -0.00796 -0.01368 -0.00378 83 2PY 0.01343 -0.01113 -0.00062 -0.00489 0.02504 84 2PZ 0.00140 -0.00247 0.00540 0.00558 -0.01032 85 3S -0.00504 0.05639 0.00468 -0.00106 -0.00059 86 3PX 0.00105 0.02934 0.01105 -0.03378 0.00426 87 3PY 0.00895 -0.00465 -0.01928 -0.00026 0.01854 88 3PZ 0.00626 0.00457 0.01143 0.00025 -0.00738 89 4XX -0.00158 0.00137 0.00002 -0.00156 -0.00122 90 4YY -0.00120 -0.00097 0.00035 0.00052 -0.00254 91 4ZZ 0.00129 -0.00091 -0.00034 0.00193 0.00116 92 4XY -0.00052 -0.00135 -0.00030 -0.00180 -0.00074 93 4XZ -0.00101 0.00081 -0.00005 -0.00024 -0.00090 94 4YZ 0.00032 -0.00017 -0.00087 -0.00129 -0.00057 95 7 C 1S 0.00070 -0.01119 0.00501 0.00922 0.00759 96 2S -0.01281 0.03253 -0.01068 -0.02194 -0.00610 97 2PX -0.03442 0.04692 -0.01000 -0.05547 -0.00204 98 2PY -0.00191 -0.02097 0.01015 0.01714 -0.01948 99 2PZ 0.02760 0.00966 -0.01151 0.01486 0.02877 100 3S 0.02293 0.03137 -0.03767 -0.01838 0.05189 101 3PX -0.00807 0.05577 -0.02836 -0.03379 0.03663 102 3PY -0.00387 -0.02237 0.02000 -0.01328 -0.04596 103 3PZ 0.02676 0.01084 -0.00859 0.03089 0.02505 104 4XX -0.00040 -0.00793 0.00349 0.00486 -0.00226 105 4YY -0.00181 0.00332 -0.00092 -0.00012 -0.00245 106 4ZZ 0.00000 0.00282 -0.00109 -0.00262 0.00118 107 4XY 0.00005 0.00476 -0.00082 -0.00270 0.00162 108 4XZ -0.00205 0.00769 -0.00249 -0.00477 0.00086 109 4YZ -0.00014 -0.00612 0.00157 0.00394 -0.00245 110 8 C 1S 0.00920 0.03421 -0.01237 -0.02492 0.04175 111 2S -0.03282 -0.05247 0.01495 0.04348 -0.04797 112 2PX 0.02136 -0.16529 0.05534 0.17088 -0.05062 113 2PY -0.00412 0.03293 0.00339 -0.03442 0.02419 114 2PZ -0.05359 0.19192 -0.04946 -0.18908 0.02969 115 3S -0.06428 -0.18715 0.10147 0.05884 -0.20963 116 3PX -0.00965 -0.08252 0.03584 0.10822 -0.02693 117 3PY -0.00858 0.04615 0.00658 -0.01857 0.03284 118 3PZ 0.01490 0.14784 -0.07452 -0.09118 0.10779 119 4XX 0.00875 0.00593 -0.00243 0.00831 0.00878 120 4YY -0.00715 0.00607 -0.00151 -0.00749 -0.00103 121 4ZZ 0.00354 -0.01176 0.00278 0.00344 -0.00236 122 4XY -0.00208 -0.00024 0.00426 -0.00126 -0.00224 123 4XZ -0.01490 0.00981 -0.00169 -0.01549 -0.00410 124 4YZ 0.00066 -0.00232 -0.00381 0.00116 -0.00126 125 9 C 1S 0.00762 -0.00548 -0.00003 0.00986 0.01051 126 2S -0.01776 0.01175 0.00748 -0.02852 -0.01360 127 2PX -0.06293 0.00384 0.00699 -0.03114 -0.02494 128 2PY -0.00834 0.03104 -0.00558 -0.02127 -0.01517 129 2PZ 0.03796 -0.01388 0.00280 0.03319 0.02801 130 3S -0.02273 0.03110 -0.01392 -0.01231 0.01166 131 3PX -0.05718 0.01729 0.00692 -0.04506 -0.02307 132 3PY -0.00181 0.03254 0.00173 -0.01016 0.00442 133 3PZ 0.02829 -0.02144 0.02193 0.00838 0.00223 134 4XX 0.00321 -0.00332 0.00064 0.00499 0.00111 135 4YY -0.00220 0.00435 -0.00021 -0.00517 -0.00024 136 4ZZ 0.00071 -0.00268 0.00086 0.00142 0.00160 137 4XY -0.00135 -0.00477 0.00086 0.00380 -0.00366 138 4XZ -0.00047 0.00251 0.00195 -0.00181 0.00094 139 4YZ -0.00038 0.00545 -0.00124 -0.00578 0.00161 140 10 H 1S -0.00251 0.00038 -0.00234 0.00377 -0.00425 141 2S -0.00589 0.00577 -0.00290 -0.00054 -0.01429 142 11 H 1S 0.01981 -0.04683 -0.02498 -0.02920 -0.00852 143 2S -0.00087 -0.07614 -0.02142 -0.02982 -0.03854 144 12 H 1S -0.03871 0.01928 0.00031 -0.04209 -0.02414 145 2S -0.03686 0.01609 -0.00063 -0.06363 -0.03554 146 13 H 1S 0.00778 -0.01647 0.00864 0.01773 0.00996 147 2S 0.00687 -0.01560 0.00373 0.03217 0.01378 148 14 C 1S -0.00106 -0.00012 -0.00072 -0.00097 -0.00169 149 2S 0.00181 0.00143 0.00143 0.00230 0.00377 150 2PX 0.00586 -0.01535 0.00454 0.01238 0.00591 151 2PY 0.00038 -0.01095 -0.00215 0.00479 -0.00051 152 2PZ 0.00155 0.00986 -0.00392 -0.01636 -0.00630 153 3S 0.00772 0.01408 0.01404 -0.01828 0.00999 154 3PX 0.00412 -0.01530 0.00843 0.00392 0.00036 155 3PY 0.00108 -0.00622 0.00434 0.01230 0.00437 156 3PZ 0.00134 0.01080 -0.00062 -0.02161 -0.00178 157 4XX 0.00007 0.00037 -0.00012 -0.00044 0.00046 158 4YY -0.00052 0.00003 -0.00024 -0.00047 -0.00088 159 4ZZ 0.00051 -0.00039 0.00039 0.00048 0.00023 160 4XY 0.00036 0.00007 0.00029 0.00028 0.00102 161 4XZ 0.00044 -0.00049 0.00048 0.00016 0.00020 162 4YZ 0.00018 -0.00004 -0.00002 0.00007 0.00056 163 15 H 1S -0.00296 0.00120 -0.00314 -0.00379 -0.00451 164 2S -0.00624 -0.00504 -0.00388 -0.00461 -0.01282 165 16 H 1S 0.00032 0.00186 0.00243 0.00310 0.00441 166 2S 0.00164 -0.00525 0.00393 0.00168 0.00261 167 17 C 1S -0.00156 0.00303 -0.00053 -0.00492 0.00594 168 2S 0.00244 -0.01002 0.00577 0.00839 -0.01665 169 2PX -0.01057 0.05005 -0.01640 -0.03933 0.00037 170 2PY -0.00715 0.03374 -0.00920 -0.03707 0.01316 171 2PZ 0.01812 -0.06489 0.01718 0.05608 0.00190 172 3S -0.00580 0.00223 -0.00890 0.03054 0.01441 173 3PX -0.01043 0.04860 -0.02068 -0.03410 0.00423 174 3PY 0.00060 0.01705 -0.00198 -0.02482 -0.00259 175 3PZ 0.00750 -0.06589 0.02335 0.03453 -0.01888 176 4XX -0.00082 0.00026 0.00081 -0.00121 -0.00075 177 4YY 0.00108 -0.00049 0.00050 0.00017 0.00012 178 4ZZ -0.00020 -0.00021 0.00064 -0.00102 -0.00073 179 4XY 0.00131 -0.00312 0.00068 0.00274 -0.00013 180 4XZ 0.00032 0.00003 -0.00001 -0.00029 -0.00018 181 4YZ -0.00093 -0.00063 0.00038 0.00019 -0.00124 182 18 H 1S 0.00265 -0.00784 0.00244 0.00355 -0.00319 183 2S 0.00341 -0.00592 -0.00018 0.00518 0.00344 184 19 H 1S -0.00187 0.00960 -0.00114 -0.01063 0.00115 185 2S -0.00371 0.02015 -0.00681 -0.02076 0.00544 11 12 13 14 15 11 4PX 0.08712 12 4PY -0.00790 0.07536 13 4PZ 0.00087 0.00327 0.05608 14 5XX -0.00299 0.01139 -0.00003 0.01064 15 5YY -0.00050 -0.00414 0.01327 -0.00888 0.02548 16 5ZZ -0.00459 0.00053 -0.01686 0.00218 -0.01446 17 5XY 0.01393 0.01946 -0.00227 0.00346 0.00322 18 5XZ 0.00122 -0.00270 0.00438 0.00037 0.00417 19 5YZ 0.00622 0.01149 0.01612 0.00501 0.00098 20 2 O 1S -0.00120 0.01042 -0.00357 0.00906 -0.01721 21 2S 0.00443 -0.02486 0.00858 -0.02005 0.03687 22 2PX 0.12334 0.12481 -0.03664 0.01535 -0.01043 23 2PY 0.03034 0.00283 0.08842 0.03585 -0.01932 24 2PZ 0.01922 0.07203 0.12774 -0.01801 0.09046 25 3S 0.00233 -0.05978 0.02023 -0.01619 0.04426 26 3PX 0.07307 0.09651 -0.02784 0.01239 -0.00742 27 3PY 0.02461 0.00399 0.05815 0.01810 -0.00737 28 3PZ 0.01545 0.04498 0.08948 -0.01071 0.06461 29 4XX -0.00102 0.00150 -0.00055 0.00107 -0.00199 30 4YY -0.00161 0.00009 -0.00857 -0.00191 -0.00113 31 4ZZ 0.00052 0.00594 0.00661 0.00013 0.00226 32 4XY -0.00947 -0.00564 0.00168 -0.00073 0.00070 33 4XZ 0.00447 0.00310 -0.00097 0.00042 -0.00058 34 4YZ -0.00045 -0.00388 -0.00662 0.00165 -0.00530 35 3 O 1S -0.01067 -0.01329 0.00034 0.00099 -0.00344 36 2S 0.02785 0.02615 0.00147 -0.00086 0.00647 37 2PX -0.02411 -0.02666 -0.01910 -0.02302 0.03633 38 2PY 0.00446 0.12346 -0.01092 0.04753 -0.04907 39 2PZ -0.02185 -0.03251 0.03159 0.01935 0.03843 40 3S 0.04345 0.08454 0.00946 -0.00463 0.02772 41 3PX -0.01293 -0.01192 -0.00533 -0.01714 0.03097 42 3PY 0.01013 0.09178 -0.00482 0.03309 -0.03270 43 3PZ -0.01186 -0.01206 0.02224 0.01286 0.03300 44 4XX 0.00303 -0.00467 -0.00038 -0.00058 -0.00118 45 4YY -0.00293 0.00127 -0.00234 0.00075 -0.00266 46 4ZZ -0.00253 -0.00383 0.00161 0.00092 0.00107 47 4XY 0.00036 -0.00114 -0.00114 -0.00080 0.00087 48 4XZ -0.00048 -0.00146 0.00010 -0.00108 0.00118 49 4YZ -0.00144 0.00515 0.00065 0.00232 -0.00100 50 4 C 1S -0.00321 -0.00548 0.00178 0.00043 0.00095 51 2S 0.00516 0.01325 -0.00430 0.00005 -0.00415 52 2PX 0.01343 -0.03644 -0.00805 -0.00707 0.01157 53 2PY 0.00444 0.02681 -0.00430 0.00028 -0.00581 54 2PZ -0.00935 -0.00667 0.01175 -0.00068 0.00491 55 3S 0.01203 0.01082 -0.00223 -0.00572 -0.00141 56 3PX 0.01117 -0.03189 -0.00482 -0.00734 0.01359 57 3PY 0.00234 0.00974 -0.00354 -0.00237 -0.00349 58 3PZ -0.00663 -0.00743 0.00559 -0.00068 0.00648 59 4XX -0.00049 -0.00108 -0.00031 -0.00016 0.00025 60 4YY 0.00048 -0.00050 0.00035 0.00010 0.00004 61 4ZZ -0.00025 0.00145 0.00004 0.00048 -0.00054 62 4XY 0.00007 -0.00055 -0.00027 0.00013 0.00015 63 4XZ -0.00027 0.00059 -0.00077 -0.00025 -0.00017 64 4YZ -0.00041 0.00035 0.00026 0.00005 0.00014 65 5 C 1S -0.00339 0.00384 0.00091 -0.00201 -0.00011 66 2S 0.00989 -0.01184 -0.00173 0.00080 -0.00006 67 2PX 0.02520 -0.00594 0.01426 0.01060 -0.00619 68 2PY 0.01694 -0.02424 0.01237 -0.00139 0.00470 69 2PZ 0.00810 0.01865 -0.00705 -0.00272 -0.00069 70 3S 0.00223 -0.00746 -0.00123 0.00561 -0.00448 71 3PX 0.00552 -0.00965 0.00449 0.00178 -0.00218 72 3PY 0.00664 0.00267 0.00725 0.00453 -0.00378 73 3PZ -0.00309 0.01265 -0.00427 0.00439 0.00059 74 4XX 0.00024 -0.00221 0.00221 0.00025 0.00143 75 4YY -0.00057 -0.00034 -0.00050 -0.00008 0.00006 76 4ZZ 0.00006 0.00227 -0.00083 -0.00030 -0.00135 77 4XY -0.00048 0.00552 0.00040 0.00235 -0.00201 78 4XZ -0.00199 -0.00125 -0.00134 0.00005 0.00113 79 4YZ -0.00141 -0.00231 -0.00009 -0.00066 0.00121 80 6 C 1S -0.00516 0.00694 -0.00132 0.00218 -0.00251 81 2S 0.00673 -0.01461 0.00282 -0.00553 0.00690 82 2PX 0.00396 -0.01574 -0.00173 -0.00647 0.00768 83 2PY -0.00527 0.02917 0.00075 0.00709 -0.00844 84 2PZ 0.00418 0.00785 0.00590 -0.00150 -0.00146 85 3S 0.00980 -0.02687 -0.00242 -0.01564 0.00547 86 3PX 0.01002 0.00044 -0.00762 -0.00224 0.00218 87 3PY 0.00044 0.02237 -0.00218 0.00741 -0.01232 88 3PZ 0.00756 0.01154 -0.00162 0.00106 -0.00500 89 4XX 0.00183 0.00021 -0.00114 0.00095 -0.00043 90 4YY -0.00041 -0.00028 -0.00043 -0.00063 0.00053 91 4ZZ -0.00111 0.00030 0.00136 -0.00003 0.00009 92 4XY 0.00020 0.00120 -0.00095 0.00030 -0.00027 93 4XZ 0.00057 -0.00004 -0.00054 -0.00002 0.00018 94 4YZ -0.00018 -0.00084 0.00034 -0.00011 0.00019 95 7 C 1S -0.01099 0.00610 0.00236 -0.00194 -0.00039 96 2S 0.01934 -0.00640 -0.00728 0.00407 -0.00014 97 2PX 0.03796 -0.00847 -0.04184 0.01223 -0.00300 98 2PY -0.00883 0.00208 -0.00192 -0.00364 -0.00055 99 2PZ -0.00821 -0.01649 0.02339 -0.00109 0.00243 100 3S 0.00202 -0.02914 -0.00078 0.00000 -0.00124 101 3PX 0.02033 -0.01294 -0.02273 0.00293 -0.00789 102 3PY 0.00404 0.00999 -0.01469 0.00207 -0.00105 103 3PZ -0.00404 -0.00128 0.00963 -0.00090 -0.00877 104 4XX -0.00180 0.00220 -0.00072 0.00057 -0.00114 105 4YY 0.00162 -0.00077 -0.00046 -0.00030 0.00037 106 4ZZ 0.00019 -0.00006 0.00061 -0.00046 0.00055 107 4XY 0.00113 -0.00040 0.00066 -0.00059 0.00077 108 4XZ 0.00303 -0.00053 -0.00125 -0.00006 0.00008 109 4YZ -0.00245 0.00050 0.00104 -0.00023 -0.00022 110 8 C 1S -0.00456 -0.00483 0.01384 -0.00220 0.00686 111 2S 0.00146 0.00646 -0.02314 0.00471 -0.01216 112 2PX -0.05282 0.03653 0.00442 -0.00475 -0.02160 113 2PY 0.01627 0.00713 -0.00890 0.00191 -0.00181 114 2PZ 0.04374 -0.03102 0.00835 -0.02107 0.02908 115 3S -0.01157 0.04952 -0.06529 0.01303 -0.02616 116 3PX -0.02999 0.01717 -0.01076 -0.00568 -0.01969 117 3PY 0.00934 -0.01069 0.01679 -0.00626 0.01820 118 3PZ 0.02174 -0.04009 0.01580 -0.01276 0.01083 119 4XX 0.00088 -0.00075 0.00270 -0.00020 -0.00060 120 4YY 0.00132 -0.00159 -0.00088 -0.00064 0.00097 121 4ZZ -0.00310 0.00216 -0.00008 0.00056 -0.00070 122 4XY -0.00034 0.00187 0.00051 -0.00064 0.00069 123 4XZ 0.00370 -0.00102 -0.00297 -0.00028 0.00129 124 4YZ -0.00035 0.00009 -0.00008 -0.00015 -0.00083 125 9 C 1S -0.00429 -0.00096 0.00218 0.00083 -0.00263 126 2S 0.00344 -0.00023 -0.00417 -0.00246 0.00456 127 2PX -0.00176 -0.02199 -0.01637 -0.00550 0.00211 128 2PY 0.01159 -0.00479 0.00025 -0.00104 0.00597 129 2PZ -0.00719 0.01237 0.01015 0.00536 -0.00354 130 3S 0.00649 -0.00134 0.01703 -0.00337 0.01496 131 3PX 0.00565 -0.01457 -0.01140 -0.00410 0.00620 132 3PY 0.00759 -0.00706 0.01326 -0.00413 0.01385 133 3PZ -0.00634 0.00986 -0.00053 0.00335 -0.00319 134 4XX -0.00121 0.00111 0.00058 0.00017 -0.00075 135 4YY 0.00118 -0.00197 -0.00026 -0.00043 0.00095 136 4ZZ -0.00071 0.00103 -0.00036 0.00047 -0.00064 137 4XY -0.00114 0.00096 0.00001 -0.00008 -0.00025 138 4XZ 0.00070 0.00136 -0.00010 -0.00008 0.00010 139 4YZ 0.00121 -0.00111 0.00020 -0.00066 0.00078 140 10 H 1S -0.00173 -0.00787 0.00363 0.00059 0.00146 141 2S -0.00001 -0.01501 0.00296 -0.00122 0.00439 142 11 H 1S -0.01561 0.00270 -0.00573 0.00154 0.00117 143 2S -0.01737 0.01453 -0.00464 0.00486 0.00156 144 12 H 1S 0.00971 0.00437 -0.01016 -0.00745 0.00139 145 2S 0.01105 0.00905 -0.00598 -0.00438 0.00603 146 13 H 1S -0.00598 0.00870 0.00048 0.00306 -0.00347 147 2S -0.00514 0.00905 0.00130 0.00336 -0.00545 148 14 C 1S -0.00086 -0.00109 0.00042 -0.00119 0.00089 149 2S 0.00199 0.00203 -0.00072 0.00232 -0.00177 150 2PX -0.00811 0.00633 0.00281 0.00182 -0.00125 151 2PY -0.00908 -0.00147 0.00126 -0.00235 0.00239 152 2PZ 0.01432 -0.00183 -0.00613 0.00407 -0.00326 153 3S 0.01143 0.01205 -0.00727 0.00641 -0.00459 154 3PX -0.00677 0.00791 0.00101 0.00141 -0.00062 155 3PY -0.00905 -0.00279 0.00452 -0.00361 0.00347 156 3PZ 0.01199 -0.00007 -0.00573 0.00338 -0.00195 157 4XX -0.00022 -0.00031 0.00003 -0.00014 0.00022 158 4YY 0.00006 -0.00051 -0.00018 -0.00020 0.00028 159 4ZZ -0.00005 0.00052 0.00039 0.00004 -0.00017 160 4XY -0.00005 0.00111 0.00015 0.00021 -0.00029 161 4XZ 0.00002 0.00066 0.00020 0.00012 -0.00022 162 4YZ -0.00025 0.00035 0.00014 0.00003 -0.00004 163 15 H 1S 0.00026 -0.00565 -0.00174 -0.00124 0.00190 164 2S -0.00187 -0.00855 -0.00180 -0.00225 0.00319 165 16 H 1S -0.00035 0.00421 0.00179 0.00032 -0.00091 166 2S -0.00321 0.00667 0.00307 -0.00014 -0.00043 167 17 C 1S 0.00018 0.00178 -0.00099 0.00066 0.00016 168 2S -0.00126 -0.00041 -0.00059 -0.00089 -0.00084 169 2PX 0.02530 -0.00567 -0.01679 0.00172 0.00162 170 2PY 0.01978 0.00304 -0.01547 0.00397 -0.00021 171 2PZ -0.03762 0.00401 0.02601 -0.00353 -0.00237 172 3S -0.00640 -0.00836 0.01238 -0.00328 0.00118 173 3PX 0.02395 -0.00766 -0.00784 0.00139 0.00569 174 3PY 0.01371 0.00201 -0.01160 0.00306 -0.00020 175 3PZ -0.02954 0.00617 0.01551 -0.00127 -0.00026 176 4XX 0.00075 0.00054 -0.00098 0.00028 -0.00008 177 4YY -0.00041 0.00010 0.00056 -0.00001 -0.00007 178 4ZZ 0.00019 0.00071 -0.00071 0.00010 -0.00014 179 4XY -0.00189 0.00056 0.00146 -0.00035 -0.00009 180 4XZ -0.00001 0.00012 0.00007 -0.00005 -0.00006 181 4YZ 0.00011 0.00071 -0.00070 0.00001 -0.00023 182 18 H 1S -0.00334 0.00283 0.00087 -0.00044 -0.00105 183 2S -0.00416 0.00553 0.00156 -0.00080 -0.00233 184 19 H 1S 0.00741 -0.00065 -0.00505 0.00141 0.00024 185 2S 0.01093 -0.00407 -0.00479 0.00175 0.00240 16 17 18 19 20 16 5ZZ 0.01554 17 5XY -0.00325 0.02387 18 5XZ -0.00580 -0.00314 0.01511 19 5YZ -0.00489 0.00536 0.00613 0.01903 20 2 O 1S 0.00424 -0.00190 0.00077 0.01294 2.08025 21 2S -0.00845 0.00413 -0.00247 -0.03000 -0.18712 22 2PX 0.00886 0.11346 -0.04793 0.01056 -0.00216 23 2PY -0.00772 0.00038 0.01971 0.07118 -0.03531 24 2PZ -0.07953 0.01536 0.03128 0.05222 0.01576 25 3S -0.01158 0.01068 -0.00212 -0.02009 -0.25802 26 3PX 0.00735 0.08346 -0.03709 0.00667 -0.00152 27 3PY -0.00895 -0.00352 0.01545 0.04200 -0.02494 28 3PZ -0.05703 0.01323 0.02447 0.04137 0.01019 29 4XX 0.00088 -0.00087 0.00017 0.00054 -0.01143 30 4YY 0.00222 0.00004 -0.00146 -0.00589 -0.01473 31 4ZZ -0.00259 0.00057 0.00088 0.00338 -0.01266 32 4XY -0.00037 -0.00606 0.00262 -0.00083 -0.00062 33 4XZ 0.00036 0.00297 -0.00102 0.00032 0.00003 34 4YZ 0.00421 -0.00094 -0.00093 -0.00155 0.00134 35 3 O 1S -0.00065 -0.01012 -0.00614 -0.01143 0.00085 36 2S 0.00400 0.01857 0.01379 0.02451 -0.00049 37 2PX -0.00396 0.03227 0.00902 0.03967 -0.00472 38 2PY 0.00495 0.02590 0.05357 0.03332 0.01229 39 2PZ -0.05303 0.05696 0.00598 0.00346 -0.00907 40 3S -0.00281 0.04979 0.01163 0.04287 -0.01160 41 3PX -0.00690 0.02363 0.00246 0.02559 -0.00509 42 3PY 0.00184 0.01877 0.03730 0.02231 0.00672 43 3PZ -0.04021 0.04831 0.00306 0.00417 -0.00940 44 4XX 0.00072 -0.00290 0.00063 -0.00091 0.00063 45 4YY 0.00158 -0.00222 0.00155 -0.00043 0.00111 46 4ZZ -0.00197 0.00178 -0.00068 -0.00047 -0.00047 47 4XY 0.00000 0.00084 0.00045 0.00058 -0.00013 48 4XZ -0.00002 0.00096 0.00047 0.00194 -0.00047 49 4YZ -0.00084 0.00276 0.00180 0.00159 0.00025 50 4 C 1S -0.00164 0.00144 -0.00184 -0.00132 -0.00062 51 2S 0.00375 -0.00371 0.00451 0.00301 0.00179 52 2PX -0.00833 -0.00188 0.00809 -0.00315 -0.00100 53 2PY 0.00592 -0.00277 0.00157 0.00542 0.00207 54 2PZ -0.00351 0.00507 -0.00486 -0.00110 -0.00157 55 3S 0.00600 -0.01024 0.00854 0.00435 0.00352 56 3PX -0.00867 -0.00055 0.00690 -0.00135 -0.00075 57 3PY 0.00643 -0.00298 -0.00127 -0.00027 0.00094 58 3PZ -0.00499 0.00258 -0.00350 -0.00160 0.00032 59 4XX -0.00003 0.00028 -0.00020 -0.00017 -0.00012 60 4YY -0.00014 -0.00011 0.00008 -0.00061 -0.00001 61 4ZZ 0.00002 -0.00030 0.00010 0.00026 0.00015 62 4XY -0.00026 0.00045 -0.00011 -0.00048 -0.00011 63 4XZ 0.00052 -0.00005 0.00019 0.00046 0.00006 64 4YZ -0.00021 0.00019 0.00013 0.00017 0.00010 65 5 C 1S 0.00067 0.00120 0.00085 0.00297 -0.00017 66 2S -0.00250 -0.00537 -0.00006 -0.00705 -0.00034 67 2PX -0.01009 -0.00858 -0.00123 -0.02019 0.00092 68 2PY -0.00392 -0.00030 -0.00129 -0.00779 -0.00211 69 2PZ 0.00611 0.00059 0.00252 0.00805 0.00048 70 3S -0.00358 0.00138 -0.00297 -0.00390 0.00612 71 3PX -0.00321 -0.00730 -0.00307 -0.00931 0.00188 72 3PY -0.00080 0.00545 -0.00073 -0.00102 0.00058 73 3PZ -0.00185 0.00818 -0.00168 0.00291 0.00133 74 4XX -0.00155 0.00086 -0.00079 -0.00110 -0.00054 75 4YY 0.00007 0.00017 0.00083 0.00075 0.00014 76 4ZZ 0.00152 -0.00145 0.00024 0.00044 0.00032 77 4XY -0.00015 0.00113 0.00103 0.00058 0.00033 78 4XZ -0.00101 0.00172 0.00076 0.00114 -0.00015 79 4YZ -0.00038 0.00063 -0.00081 -0.00013 -0.00030 80 6 C 1S -0.00029 0.00052 -0.00035 0.00010 0.00071 81 2S -0.00088 0.00081 -0.00028 -0.00003 -0.00032 82 2PX -0.00121 -0.00049 0.00065 0.00085 -0.00020 83 2PY 0.00031 0.00155 0.00467 0.00211 0.00286 84 2PZ 0.00335 0.00111 0.00284 -0.00095 -0.00059 85 3S 0.00919 -0.00601 -0.00235 -0.00746 -0.00785 86 3PX -0.00034 -0.00138 0.00297 0.00052 -0.00393 87 3PY 0.00480 0.00595 0.00294 0.00073 0.00172 88 3PZ 0.00443 0.00292 -0.00050 -0.00241 -0.00174 89 4XX -0.00046 0.00027 -0.00033 -0.00040 0.00020 90 4YY 0.00030 0.00037 -0.00037 0.00022 0.00006 91 4ZZ -0.00010 0.00022 0.00001 0.00011 -0.00006 92 4XY 0.00007 0.00023 0.00006 0.00035 0.00020 93 4XZ -0.00007 0.00014 -0.00039 0.00020 -0.00011 94 4YZ -0.00012 0.00023 0.00017 -0.00030 -0.00014 95 7 C 1S 0.00125 0.00138 -0.00021 -0.00095 -0.00030 96 2S -0.00278 0.00085 -0.00133 0.00221 0.00209 97 2PX -0.00797 -0.00773 -0.00766 0.00632 0.00338 98 2PY 0.00520 0.00436 -0.00229 -0.00436 0.00161 99 2PZ -0.00324 -0.00245 0.00380 -0.00013 -0.00310 100 3S -0.00246 -0.01529 0.00518 -0.00148 -0.00181 101 3PX 0.00303 -0.01067 0.00175 -0.00140 0.00066 102 3PY 0.00152 0.01203 -0.00941 -0.00598 -0.00648 103 3PZ 0.00856 0.00100 -0.00260 -0.00497 -0.00399 104 4XX 0.00093 -0.00005 -0.00117 0.00012 0.00000 105 4YY -0.00002 0.00075 -0.00043 -0.00042 0.00000 106 4ZZ -0.00025 0.00024 0.00078 0.00028 0.00018 107 4XY -0.00043 -0.00025 0.00108 0.00026 0.00004 108 4XZ -0.00011 -0.00001 0.00037 0.00036 0.00035 109 4YZ 0.00066 0.00059 -0.00050 -0.00027 -0.00003 110 8 C 1S -0.00718 -0.00155 0.01145 0.00098 -0.00022 111 2S 0.01396 -0.00082 -0.01961 -0.00067 0.00129 112 2PX 0.03300 0.00668 -0.02744 -0.00369 0.00104 113 2PY -0.00031 -0.01032 0.00613 0.01767 0.00374 114 2PZ -0.01445 -0.00212 0.04249 0.00429 -0.00323 115 3S 0.03192 0.03423 -0.05769 -0.01770 -0.00280 116 3PX 0.02990 -0.00161 -0.02168 -0.00739 -0.00155 117 3PY -0.01507 -0.01507 0.01501 0.01964 0.00595 118 3PZ -0.00738 -0.02042 0.03361 0.00472 0.00206 119 4XX 0.00020 -0.00114 -0.00008 0.00057 0.00010 120 4YY -0.00043 0.00010 0.00112 -0.00045 -0.00044 121 4ZZ 0.00041 0.00006 -0.00048 0.00031 0.00021 122 4XY 0.00002 -0.00013 0.00070 0.00014 0.00009 123 4XZ -0.00078 0.00020 0.00163 0.00053 -0.00014 124 4YZ 0.00115 0.00084 -0.00027 0.00017 -0.00018 125 9 C 1S 0.00084 -0.00110 -0.00116 0.00173 0.00059 126 2S -0.00185 0.00128 0.00299 -0.00479 0.00004 127 2PX 0.00473 0.00393 -0.00422 -0.00800 -0.00278 128 2PY -0.00473 0.00336 0.00320 -0.00887 -0.00150 129 2PZ -0.00167 -0.00357 0.00063 0.00490 0.00175 130 3S -0.01393 -0.00059 0.01280 0.00953 -0.00163 131 3PX -0.00135 0.00298 0.00163 -0.00200 -0.00020 132 3PY -0.01153 -0.00348 0.00860 0.00292 0.00049 133 3PZ 0.00058 -0.00265 -0.00167 -0.00218 0.00432 134 4XX 0.00065 -0.00033 -0.00043 0.00017 0.00035 135 4YY -0.00062 -0.00039 0.00067 -0.00012 0.00014 136 4ZZ 0.00020 -0.00039 -0.00004 0.00035 0.00040 137 4XY 0.00064 0.00060 -0.00080 -0.00016 -0.00010 138 4XZ -0.00005 -0.00039 0.00060 0.00034 0.00008 139 4YZ -0.00043 -0.00015 0.00122 0.00028 -0.00004 140 10 H 1S -0.00167 0.00166 -0.00154 -0.00355 -0.00095 141 2S -0.00278 0.00285 -0.00310 -0.00639 -0.00185 142 11 H 1S -0.00175 0.00569 0.00122 0.00453 0.00001 143 2S -0.00333 0.01377 0.00074 0.00689 -0.00033 144 12 H 1S 0.00830 0.00023 0.00567 0.00608 0.00002 145 2S 0.00010 0.00824 0.00891 0.00480 -0.00318 146 13 H 1S 0.00116 -0.00153 -0.00168 0.00211 0.00096 147 2S 0.00286 -0.00179 -0.00352 0.00358 -0.00045 148 14 C 1S 0.00011 0.00021 0.00033 0.00026 -0.00019 149 2S -0.00055 -0.00042 -0.00067 -0.00059 0.00026 150 2PX -0.00049 0.00040 -0.00180 0.00193 0.00005 151 2PY 0.00035 0.00097 -0.00129 0.00251 -0.00055 152 2PZ -0.00130 -0.00056 0.00092 -0.00262 0.00054 153 3S -0.00212 -0.00147 0.00117 0.00006 0.00026 154 3PX -0.00033 0.00132 -0.00117 0.00205 -0.00027 155 3PY 0.00007 -0.00226 -0.00057 0.00208 0.00008 156 3PZ -0.00201 -0.00145 0.00261 -0.00161 0.00032 157 4XX -0.00012 -0.00009 0.00007 0.00013 0.00002 158 4YY -0.00003 0.00010 -0.00007 0.00006 -0.00009 159 4ZZ 0.00011 -0.00003 0.00019 -0.00007 -0.00005 160 4XY 0.00003 -0.00002 0.00018 0.00004 0.00010 161 4XZ 0.00009 -0.00006 0.00018 -0.00003 0.00003 162 4YZ -0.00001 0.00004 0.00008 0.00003 0.00003 163 15 H 1S -0.00040 0.00019 -0.00082 0.00030 -0.00039 164 2S -0.00023 0.00191 -0.00196 0.00000 -0.00132 165 16 H 1S 0.00059 -0.00011 0.00106 -0.00033 0.00031 166 2S 0.00062 0.00015 0.00212 0.00040 0.00024 167 17 C 1S -0.00081 -0.00092 0.00060 0.00120 0.00009 168 2S 0.00240 0.00391 -0.00293 -0.00345 0.00140 169 2PX -0.00416 -0.00048 0.00213 -0.00007 0.00348 170 2PY -0.00520 -0.00462 0.00209 0.00443 0.00114 171 2PZ 0.00662 0.00240 -0.00236 -0.00371 -0.00329 172 3S 0.00159 -0.00544 0.00410 0.00069 0.00206 173 3PX -0.00812 -0.00099 0.00457 0.00367 -0.00019 174 3PY -0.00337 0.00048 -0.00121 0.00032 -0.00045 175 3PZ 0.00327 0.00531 -0.00416 -0.00266 -0.00141 176 4XX -0.00015 -0.00002 -0.00023 0.00025 0.00040 177 4YY 0.00008 0.00009 0.00013 -0.00010 0.00033 178 4ZZ 0.00007 0.00020 -0.00015 -0.00002 0.00047 179 4XY 0.00042 0.00032 0.00008 -0.00038 -0.00017 180 4XZ 0.00008 0.00015 0.00002 -0.00006 0.00006 181 4YZ 0.00032 0.00023 -0.00019 -0.00017 0.00006 182 18 H 1S 0.00143 0.00146 -0.00044 -0.00175 0.00073 183 2S 0.00295 0.00046 0.00087 -0.00083 0.00055 184 19 H 1S -0.00193 -0.00156 -0.00013 0.00211 0.00007 185 2S -0.00472 -0.00209 0.00144 0.00412 -0.00016 21 22 23 24 25 21 2S 0.52271 22 2PX 0.01059 0.73973 23 2PY 0.06485 -0.03736 0.56670 24 2PZ -0.03391 -0.00735 0.04573 0.66489 25 3S 0.61223 -0.00925 0.22020 -0.08879 0.80457 26 3PX 0.00724 0.53411 -0.03809 -0.00819 -0.00759 27 3PY 0.04741 -0.03565 0.32080 0.06780 0.12212 28 3PZ -0.02331 -0.00654 0.06680 0.46030 -0.04245 29 4XX -0.01005 -0.00254 0.00155 -0.00294 -0.01224 30 4YY -0.00220 0.00512 -0.04236 -0.01496 -0.01491 31 4ZZ -0.00744 0.00269 0.00711 0.02887 -0.01118 32 4XY 0.00132 -0.04183 -0.00040 0.00027 0.00202 33 4XZ 0.00005 0.02032 0.00016 -0.00084 -0.00063 34 4YZ -0.00301 -0.00096 0.00522 -0.03530 0.00185 35 3 O 1S -0.00121 -0.02146 -0.00935 -0.01920 -0.00980 36 2S -0.00320 0.03096 0.02267 0.03164 0.02237 37 2PX 0.00421 0.03970 0.01587 0.06548 0.06489 38 2PY -0.01997 0.08467 0.12316 0.05512 -0.10169 39 2PZ 0.01132 0.06428 -0.00890 0.04456 0.10120 40 3S 0.02887 0.18886 0.03142 0.15287 0.05752 41 3PX 0.00813 0.04848 0.00724 0.07804 0.04846 42 3PY -0.00730 0.07319 0.08718 0.05284 -0.06797 43 3PZ 0.01528 0.08719 -0.01346 0.05528 0.07943 44 4XX -0.00213 -0.01072 0.00064 -0.00613 -0.00286 45 4YY -0.00258 -0.01007 -0.00189 -0.00574 -0.00769 46 4ZZ 0.00001 -0.00085 0.00017 -0.00357 0.00520 47 4XY 0.00016 0.00032 -0.00357 -0.00017 0.00080 48 4XZ 0.00074 0.00052 0.00248 0.00340 0.00280 49 4YZ -0.00029 0.00607 0.00266 0.00381 -0.00187 50 4 C 1S 0.00096 0.00240 -0.00272 -0.00056 0.00656 51 2S -0.00286 -0.00462 0.00650 0.00076 -0.01769 52 2PX -0.00103 -0.03180 -0.00137 0.04940 0.01710 53 2PY -0.00290 0.00487 0.00501 -0.01586 -0.02204 54 2PZ 0.00220 0.01328 -0.01345 -0.01676 0.01858 55 3S -0.00518 -0.03256 -0.00339 0.01189 -0.02754 56 3PX -0.00089 -0.02856 -0.00784 0.04548 0.01645 57 3PY -0.00037 -0.00103 -0.01365 -0.02656 -0.01074 58 3PZ -0.00169 -0.00313 -0.01759 -0.00601 0.01046 59 4XX 0.00027 0.00037 -0.00046 0.00085 0.00129 60 4YY 0.00007 -0.00157 -0.00101 0.00069 0.00022 61 4ZZ -0.00017 0.00041 0.00064 -0.00153 -0.00174 62 4XY 0.00017 0.00079 -0.00060 0.00060 0.00098 63 4XZ -0.00007 0.00079 0.00071 0.00117 -0.00067 64 4YZ -0.00024 0.00012 0.00029 0.00051 -0.00021 65 5 C 1S 0.00068 0.00270 0.00238 0.00344 0.00019 66 2S 0.00003 -0.01769 -0.00786 -0.00889 0.00094 67 2PX -0.00199 -0.03264 -0.02047 -0.03075 -0.00972 68 2PY 0.00244 -0.01294 -0.01351 -0.00117 0.02429 69 2PZ 0.00021 0.00588 0.00387 0.00364 -0.01020 70 3S -0.01536 0.01987 0.01239 -0.00439 -0.01488 71 3PX -0.00384 -0.02403 -0.01301 -0.01694 -0.00842 72 3PY -0.00221 0.02804 0.01630 0.00459 0.00296 73 3PZ -0.00306 0.02790 0.00155 0.00085 0.00106 74 4XX 0.00086 -0.00100 -0.00304 -0.00049 0.00473 75 4YY -0.00042 -0.00040 0.00173 0.00227 -0.00049 76 4ZZ -0.00043 -0.00199 0.00149 -0.00166 -0.00388 77 4XY -0.00043 0.00495 0.00395 0.00013 -0.00343 78 4XZ 0.00008 0.00233 0.00163 0.00345 0.00212 79 4YZ 0.00046 0.00069 -0.00201 -0.00040 0.00317 80 6 C 1S 0.00022 0.00374 0.00285 -0.00225 -0.00983 81 2S -0.00194 -0.00153 -0.00698 0.00942 0.01464 82 2PX 0.00005 -0.00094 -0.00424 0.01085 0.00800 83 2PY -0.00394 0.01963 0.01423 -0.00335 -0.02800 84 2PZ 0.00188 -0.00338 -0.00152 -0.00282 0.00058 85 3S 0.01721 -0.02389 -0.03341 -0.03512 0.03241 86 3PX 0.01122 0.00625 -0.01298 0.00380 0.00234 87 3PY -0.00240 0.04115 0.02063 -0.02054 -0.01652 88 3PZ 0.00450 0.02415 -0.01027 -0.01611 -0.00343 89 4XX -0.00067 0.00233 -0.00048 -0.00095 -0.00065 90 4YY -0.00034 0.00158 -0.00089 0.00045 0.00034 91 4ZZ 0.00008 0.00075 0.00075 0.00049 -0.00019 92 4XY -0.00040 0.00174 0.00054 0.00014 -0.00108 93 4XZ 0.00018 0.00217 -0.00009 -0.00052 0.00037 94 4YZ 0.00028 -0.00008 -0.00044 0.00027 0.00106 95 7 C 1S 0.00217 -0.00176 -0.00371 -0.00004 -0.00446 96 2S -0.00609 0.03009 0.00577 -0.00192 -0.00114 97 2PX -0.01000 0.02042 0.00965 -0.00814 -0.01262 98 2PY -0.00498 0.00708 -0.01694 -0.00855 -0.00003 99 2PZ 0.00788 -0.02682 0.01118 0.00726 0.01494 100 3S 0.00020 -0.07274 0.01580 -0.02153 0.00915 101 3PX -0.00437 -0.02529 0.00953 -0.03675 -0.00624 102 3PY 0.01448 0.06983 -0.03495 -0.02349 0.01279 103 3PZ 0.01050 0.01847 -0.00056 -0.04163 0.00756 104 4XX 0.00034 0.00247 -0.00049 -0.00299 -0.00096 105 4YY -0.00030 0.00329 -0.00076 0.00019 0.00113 106 4ZZ -0.00018 -0.00030 0.00037 0.00225 -0.00038 107 4XY -0.00015 -0.00294 0.00070 0.00305 0.00006 108 4XZ -0.00098 0.00193 0.00074 -0.00031 -0.00089 109 4YZ 0.00013 0.00220 -0.00140 -0.00189 0.00057 110 8 C 1S 0.00076 -0.02460 0.00789 0.02228 -0.00457 111 2S -0.00308 0.02415 -0.00246 -0.03728 0.00064 112 2PX 0.00102 0.05676 -0.02407 -0.08479 -0.00755 113 2PY -0.00775 0.00140 0.01358 -0.01644 -0.02507 114 2PZ 0.00466 -0.09251 0.00294 0.08827 0.01779 115 3S 0.01896 0.25931 -0.12381 -0.15584 0.00761 116 3PX 0.00618 0.03403 -0.02636 -0.10227 0.00083 117 3PY -0.01541 -0.08457 0.04058 0.09740 -0.01441 118 3PZ -0.01038 -0.15296 0.04219 0.04320 -0.00225 119 4XX -0.00033 -0.00213 0.00407 -0.00046 -0.00102 120 4YY 0.00059 -0.00232 0.00026 0.00285 0.00221 121 4ZZ -0.00035 -0.00038 -0.00158 -0.00190 -0.00170 122 4XY -0.00004 -0.00240 -0.00193 0.00344 -0.00145 123 4XZ 0.00003 0.00084 0.00033 0.00197 0.00139 124 4YZ 0.00042 0.00322 0.00064 -0.00585 0.00157 125 9 C 1S -0.00116 0.00164 0.00202 -0.01007 -0.00250 126 2S -0.00009 -0.00923 -0.01220 0.02009 0.00031 127 2PX 0.00488 0.01005 -0.01047 0.02101 0.02077 128 2PY 0.00294 -0.02522 -0.00798 0.03325 0.01002 129 2PZ -0.00226 0.00209 0.00750 -0.01948 -0.01656 130 3S -0.00138 -0.03706 0.05254 0.10161 0.01028 131 3PX -0.00117 0.00389 -0.00481 0.03633 0.01012 132 3PY -0.00309 -0.05249 0.01221 0.06638 0.00373 133 3PZ -0.00595 -0.00291 -0.02562 -0.02068 -0.02195 134 4XX -0.00049 -0.00021 -0.00006 -0.00326 -0.00139 135 4YY -0.00032 -0.00413 -0.00065 0.00424 0.00046 136 4ZZ -0.00073 -0.00014 0.00084 -0.00102 -0.00197 137 4XY 0.00015 0.00227 -0.00057 -0.00170 0.00084 138 4XZ -0.00005 -0.00028 -0.00047 0.00052 -0.00171 139 4YZ 0.00005 -0.00227 -0.00008 0.00256 0.00019 140 10 H 1S 0.00178 0.00050 -0.00541 0.00114 0.00873 141 2S 0.00323 -0.00075 -0.01556 -0.00055 0.01642 142 11 H 1S -0.00019 0.01830 0.01062 0.01043 0.00163 143 2S 0.00079 0.04735 0.01390 0.01737 0.00523 144 12 H 1S 0.00011 -0.00304 -0.00780 -0.01150 -0.00035 145 2S 0.00809 0.02410 -0.00992 0.00752 0.00881 146 13 H 1S -0.00111 0.01189 0.00283 -0.01287 -0.01026 147 2S 0.00151 0.01697 0.01251 -0.02016 -0.00563 148 14 C 1S 0.00055 -0.00055 -0.00033 0.00188 0.00126 149 2S -0.00080 0.00137 0.00095 -0.00347 -0.00218 150 2PX 0.00021 0.01039 0.00384 -0.00204 -0.00310 151 2PY 0.00198 0.00757 0.00245 0.00451 0.00239 152 2PZ -0.00327 -0.00587 -0.00104 -0.00353 0.00132 153 3S 0.00071 0.01134 -0.00429 -0.00123 -0.01470 154 3PX 0.00171 0.01489 -0.00069 0.00061 -0.00490 155 3PY 0.00023 -0.01126 0.00076 0.00746 0.00040 156 3PZ -0.00164 -0.01047 -0.00152 0.00238 -0.00174 157 4XX -0.00008 -0.00033 0.00007 0.00076 -0.00003 158 4YY 0.00019 0.00014 -0.00015 0.00049 0.00064 159 4ZZ 0.00023 -0.00056 0.00011 -0.00009 -0.00012 160 4XY -0.00012 0.00033 0.00041 -0.00020 -0.00110 161 4XZ 0.00000 -0.00046 0.00006 -0.00015 -0.00038 162 4YZ -0.00001 0.00026 0.00017 0.00009 -0.00044 163 15 H 1S 0.00055 -0.00041 -0.00090 0.00297 0.00456 164 2S 0.00244 0.00527 -0.00395 0.00212 0.01036 165 16 H 1S 0.00002 -0.00109 0.00043 -0.00119 -0.00427 166 2S 0.00044 -0.00294 0.00069 0.00220 -0.00503 167 17 C 1S 0.00063 -0.00208 0.00258 0.00246 -0.00355 168 2S -0.00408 0.01666 -0.01349 -0.00858 0.00047 169 2PX -0.01120 0.00518 0.00036 0.00746 -0.00665 170 2PY -0.00290 -0.00659 0.01088 0.00919 -0.01108 171 2PZ 0.01018 -0.00228 -0.00721 -0.01543 0.01015 172 3S -0.00619 -0.04567 0.02177 0.01432 0.00553 173 3PX -0.00268 -0.00799 0.01761 0.02883 0.00595 174 3PY 0.00047 0.01416 -0.00384 -0.00015 -0.00354 175 3PZ 0.00588 0.01577 -0.01631 -0.00732 0.00477 176 4XX -0.00069 0.00140 -0.00038 0.00033 -0.00138 177 4YY -0.00055 0.00027 -0.00080 -0.00009 -0.00089 178 4ZZ -0.00083 0.00173 -0.00117 -0.00035 -0.00160 179 4XY 0.00046 -0.00029 -0.00067 -0.00050 0.00043 180 4XZ -0.00016 0.00069 -0.00048 -0.00044 -0.00026 181 4YZ -0.00023 0.00164 -0.00058 -0.00098 -0.00029 182 18 H 1S -0.00188 0.00568 -0.00570 -0.00479 -0.00197 183 2S -0.00102 0.00150 -0.00092 -0.00739 -0.00392 184 19 H 1S -0.00002 -0.00157 0.00367 0.00360 -0.00191 185 2S 0.00034 -0.00419 0.00936 0.01253 0.00000 26 27 28 29 30 26 3PX 0.38967 27 3PY -0.03433 0.18871 28 3PZ -0.00741 0.06451 0.32386 29 4XX -0.00176 0.00082 -0.00223 0.00046 30 4YY 0.00446 -0.02394 -0.01348 0.00011 0.00381 31 4ZZ 0.00196 0.00591 0.01972 0.00023 -0.00081 32 4XY -0.02958 0.00039 0.00006 0.00013 -0.00006 33 4XZ 0.01437 -0.00016 -0.00060 -0.00005 0.00010 34 4YZ -0.00082 0.00047 -0.02361 0.00029 0.00014 35 3 O 1S -0.01439 -0.00281 -0.01593 0.00061 0.00094 36 2S 0.01839 0.00562 0.02751 -0.00165 -0.00262 37 2PX 0.03822 -0.00092 0.06767 -0.00412 -0.00355 38 2PY 0.06213 0.09387 0.03385 0.00594 0.00100 39 2PZ 0.05870 -0.02646 0.04967 -0.00438 -0.00234 40 3S 0.13517 0.01031 0.11433 -0.00365 -0.00572 41 3PX 0.04143 -0.00211 0.06825 -0.00317 -0.00334 42 3PY 0.05216 0.06780 0.03261 0.00406 0.00039 43 3PZ 0.07242 -0.02333 0.05228 -0.00364 -0.00175 44 4XX -0.00899 0.00097 -0.00445 0.00010 0.00006 45 4YY -0.00708 -0.00012 -0.00476 0.00035 0.00059 46 4ZZ 0.00019 -0.00130 -0.00167 -0.00017 -0.00010 47 4XY 0.00025 -0.00224 0.00017 -0.00015 0.00028 48 4XZ 0.00059 0.00140 0.00313 -0.00016 -0.00021 49 4YZ 0.00510 0.00180 0.00264 0.00010 0.00015 50 4 C 1S 0.00302 -0.00293 0.00040 -0.00025 -0.00006 51 2S -0.00563 0.00744 -0.00166 0.00063 0.00027 52 2PX -0.02642 0.00104 0.04091 -0.00164 -0.00207 53 2PY 0.00191 0.00570 -0.01502 0.00082 0.00086 54 2PZ 0.01269 -0.01387 -0.01097 -0.00082 0.00017 55 3S -0.02887 0.00436 0.00445 0.00073 0.00080 56 3PX -0.02347 -0.00366 0.03770 -0.00156 -0.00151 57 3PY -0.00187 -0.00788 -0.02168 0.00036 0.00175 58 3PZ -0.00018 -0.01435 -0.00311 -0.00065 0.00026 59 4XX 0.00047 -0.00045 0.00081 -0.00007 -0.00003 60 4YY -0.00132 -0.00060 0.00046 0.00000 0.00004 61 4ZZ 0.00032 0.00067 -0.00140 0.00009 0.00008 62 4XY 0.00058 -0.00054 0.00060 -0.00004 -0.00001 63 4XZ 0.00065 0.00063 0.00087 0.00001 -0.00003 64 4YZ 0.00015 0.00019 0.00042 0.00001 -0.00002 65 5 C 1S 0.00296 0.00142 0.00257 0.00009 -0.00002 66 2S -0.01598 -0.00382 -0.00672 -0.00019 0.00029 67 2PX -0.03079 -0.01162 -0.02848 0.00075 0.00145 68 2PY -0.01249 -0.01293 0.00035 -0.00100 -0.00079 69 2PZ 0.00294 0.00362 0.00129 0.00033 0.00019 70 3S 0.01465 0.00744 -0.00208 0.00041 -0.00079 71 3PX -0.01959 -0.00705 -0.01488 0.00041 0.00085 72 3PY 0.02004 0.00779 0.00348 0.00013 -0.00120 73 3PZ 0.02277 -0.00194 0.00207 0.00003 -0.00030 74 4XX -0.00064 -0.00294 -0.00017 -0.00022 -0.00006 75 4YY -0.00017 0.00129 0.00192 0.00004 -0.00008 76 4ZZ -0.00172 0.00168 -0.00177 0.00018 0.00010 77 4XY 0.00382 0.00281 -0.00038 0.00025 0.00007 78 4XZ 0.00232 0.00082 0.00347 -0.00011 -0.00012 79 4YZ 0.00097 -0.00185 0.00024 -0.00017 -0.00001 80 6 C 1S 0.00395 0.00358 -0.00270 0.00085 0.00075 81 2S -0.00239 -0.00727 0.00904 -0.00110 -0.00111 82 2PX -0.00120 -0.00295 0.01023 0.00004 -0.00064 83 2PY 0.01451 0.01283 -0.00672 0.00180 0.00077 84 2PZ -0.00277 -0.00140 -0.00341 -0.00011 0.00051 85 3S -0.02089 -0.02334 -0.02468 -0.00148 0.00138 86 3PX 0.00218 -0.00416 0.00191 -0.00001 0.00137 87 3PY 0.02996 0.01351 -0.01679 0.00138 0.00051 88 3PZ 0.01674 -0.00596 -0.01386 -0.00006 0.00170 89 4XX 0.00145 -0.00026 -0.00056 0.00002 0.00001 90 4YY 0.00128 -0.00075 0.00051 -0.00005 -0.00003 91 4ZZ 0.00081 0.00032 0.00015 0.00001 0.00002 92 4XY 0.00130 0.00053 0.00016 0.00006 0.00000 93 4XZ 0.00156 -0.00014 -0.00029 -0.00001 -0.00001 94 4YZ 0.00002 -0.00041 0.00028 -0.00005 0.00000 95 7 C 1S -0.00091 -0.00139 -0.00073 0.00030 0.00062 96 2S 0.02048 0.00290 0.00027 0.00005 -0.00071 97 2PX 0.00911 0.01170 0.00050 0.00075 -0.00130 98 2PY 0.00644 -0.01263 -0.00659 -0.00024 0.00013 99 2PZ -0.01775 0.00403 0.00381 -0.00101 0.00001 100 3S -0.05459 0.01067 -0.01322 0.00035 -0.00115 101 3PX -0.02398 0.00913 -0.02322 0.00091 -0.00034 102 3PY 0.05235 -0.02300 -0.01747 -0.00068 0.00283 103 3PZ 0.01461 -0.00366 -0.03322 -0.00019 0.00197 104 4XX 0.00239 -0.00046 -0.00254 0.00006 0.00019 105 4YY 0.00211 -0.00074 0.00048 -0.00009 -0.00009 106 4ZZ -0.00041 0.00039 0.00165 -0.00001 -0.00003 107 4XY -0.00261 0.00080 0.00231 -0.00004 -0.00017 108 4XZ 0.00077 0.00061 0.00009 0.00001 -0.00006 109 4YZ 0.00226 -0.00144 -0.00162 -0.00003 0.00012 110 8 C 1S -0.01925 0.00871 0.01611 0.00022 -0.00084 111 2S 0.02058 -0.00685 -0.02627 0.00053 0.00118 112 2PX 0.05512 -0.02558 -0.07044 0.00076 0.00354 113 2PY -0.00107 0.01315 -0.01348 0.00090 0.00043 114 2PZ -0.08376 0.00977 0.07067 -0.00153 -0.00214 115 3S 0.20447 -0.09294 -0.11706 -0.00045 0.01248 116 3PX 0.03235 -0.02459 -0.07905 0.00066 0.00356 117 3PY -0.06583 0.03268 0.07167 -0.00016 -0.00533 118 3PZ -0.12390 0.03338 0.03578 0.00015 -0.00373 119 4XX -0.00185 0.00272 -0.00077 0.00004 -0.00019 120 4YY -0.00222 0.00023 0.00264 -0.00009 -0.00021 121 4ZZ 0.00052 -0.00101 -0.00179 0.00009 0.00023 122 4XY -0.00188 -0.00082 0.00214 0.00002 0.00011 123 4XZ -0.00022 0.00035 0.00237 -0.00005 -0.00017 124 4YZ 0.00255 -0.00039 -0.00412 -0.00003 0.00013 125 9 C 1S 0.00262 0.00103 -0.00802 0.00007 0.00015 126 2S -0.00863 -0.00610 0.01548 -0.00031 0.00006 127 2PX 0.00888 -0.00851 0.01919 -0.00115 -0.00068 128 2PY -0.02285 -0.00420 0.02639 -0.00023 -0.00028 129 2PZ 0.00314 0.00651 -0.01741 0.00121 0.00068 130 3S -0.03095 0.03686 0.07727 -0.00054 -0.00638 131 3PX 0.00231 -0.00285 0.03000 -0.00096 -0.00128 132 3PY -0.04227 0.01102 0.04957 -0.00041 -0.00288 133 3PZ -0.00060 -0.01400 -0.01871 0.00081 0.00273 134 4XX 0.00010 -0.00016 -0.00270 0.00008 0.00012 135 4YY -0.00337 -0.00016 0.00335 -0.00006 -0.00008 136 4ZZ 0.00010 0.00070 -0.00095 0.00009 0.00001 137 4XY 0.00197 -0.00085 -0.00125 -0.00001 0.00003 138 4XZ -0.00045 0.00016 0.00013 0.00006 0.00008 139 4YZ -0.00207 0.00027 0.00197 -0.00006 -0.00005 140 10 H 1S 0.00081 -0.00496 0.00166 -0.00022 -0.00002 141 2S -0.00031 -0.01250 0.00144 -0.00068 0.00022 142 11 H 1S 0.01717 0.00684 0.01038 -0.00011 -0.00031 143 2S 0.04015 0.00680 0.01586 -0.00012 -0.00056 144 12 H 1S -0.00451 -0.00557 -0.00773 -0.00003 0.00123 145 2S 0.01556 -0.00602 0.00656 -0.00045 0.00104 146 13 H 1S 0.01050 0.00268 -0.01116 0.00062 0.00040 147 2S 0.01430 0.00762 -0.01633 0.00062 -0.00005 148 14 C 1S -0.00015 -0.00029 0.00158 0.00001 -0.00001 149 2S 0.00045 0.00077 -0.00297 0.00000 -0.00001 150 2PX 0.00877 0.00174 -0.00296 0.00007 -0.00004 151 2PY 0.00741 0.00090 0.00350 0.00006 -0.00009 152 2PZ -0.00726 -0.00017 -0.00108 -0.00056 -0.00029 153 3S 0.00587 0.00149 -0.00306 0.00042 0.00118 154 3PX 0.01238 -0.00018 -0.00114 0.00019 0.00059 155 3PY -0.00687 0.00026 0.00493 0.00003 -0.00029 156 3PZ -0.01026 0.00095 0.00258 -0.00020 -0.00004 157 4XX -0.00024 0.00009 0.00057 0.00000 -0.00003 158 4YY 0.00014 -0.00013 0.00049 -0.00003 -0.00002 159 4ZZ -0.00040 0.00011 -0.00020 0.00001 0.00003 160 4XY 0.00022 0.00042 -0.00035 0.00008 0.00004 161 4XZ -0.00037 0.00009 -0.00024 0.00001 0.00002 162 4YZ 0.00024 0.00017 -0.00002 0.00004 0.00002 163 15 H 1S -0.00012 -0.00095 0.00337 -0.00024 -0.00021 164 2S 0.00489 -0.00406 0.00338 -0.00052 -0.00013 165 16 H 1S -0.00073 0.00089 -0.00192 0.00036 0.00027 166 2S -0.00162 0.00128 0.00024 0.00040 0.00033 167 17 C 1S -0.00190 0.00296 0.00178 0.00023 0.00007 168 2S 0.01310 -0.01045 -0.00655 -0.00038 0.00049 169 2PX -0.00202 0.00378 0.00957 0.00003 -0.00161 170 2PY -0.00980 0.01252 0.00916 0.00055 -0.00061 171 2PZ 0.00661 -0.01017 -0.01618 -0.00056 0.00177 172 3S -0.03365 0.01186 0.01113 -0.00003 -0.00277 173 3PX -0.01153 0.01441 0.02531 -0.00020 -0.00284 174 3PY 0.00779 0.00044 0.00116 0.00008 0.00032 175 3PZ 0.01909 -0.01475 -0.00909 -0.00050 0.00198 176 4XX 0.00093 -0.00004 0.00028 0.00003 0.00004 177 4YY 0.00033 -0.00057 -0.00025 0.00000 0.00009 178 4ZZ 0.00124 -0.00061 -0.00028 0.00003 0.00010 179 4XY 0.00013 -0.00066 -0.00063 -0.00002 0.00009 180 4XZ 0.00051 -0.00034 -0.00036 -0.00001 0.00006 181 4YZ 0.00117 -0.00035 -0.00069 0.00003 0.00000 182 18 H 1S 0.00471 -0.00380 -0.00384 -0.00014 0.00031 183 2S 0.00142 -0.00049 -0.00616 0.00015 0.00034 184 19 H 1S -0.00257 0.00364 0.00324 0.00012 -0.00008 185 2S -0.00518 0.00780 0.01060 0.00002 -0.00065 31 32 33 34 35 31 4ZZ 0.00170 32 4XY -0.00016 0.00249 33 4XZ 0.00006 -0.00119 0.00060 34 4YZ -0.00146 -0.00002 0.00004 0.00212 35 3 O 1S -0.00104 0.00081 -0.00054 0.00118 2.07880 36 2S 0.00134 -0.00094 0.00065 -0.00198 -0.18325 37 2PX 0.00029 -0.00079 -0.00028 -0.00305 -0.01480 38 2PY 0.00722 -0.00225 0.00405 -0.00041 0.01267 39 2PZ -0.00452 -0.00212 -0.00005 -0.00286 0.02815 40 3S 0.00724 -0.00891 0.00436 -0.00880 -0.26963 41 3PX 0.00168 -0.00185 0.00037 -0.00396 -0.01180 42 3PY 0.00574 -0.00252 0.00333 -0.00103 0.00581 43 3PZ -0.00232 -0.00368 0.00096 -0.00339 0.01269 44 4XX -0.00029 0.00040 -0.00018 0.00039 -0.01753 45 4YY -0.00008 0.00065 -0.00021 0.00034 -0.01257 46 4ZZ -0.00043 0.00010 -0.00012 0.00014 -0.01184 47 4XY -0.00015 0.00003 -0.00002 -0.00006 -0.00476 48 4XZ 0.00009 0.00001 -0.00002 -0.00018 -0.00088 49 4YZ 0.00025 -0.00013 0.00015 -0.00022 -0.00191 50 4 C 1S -0.00033 -0.00016 -0.00002 -0.00011 -0.00165 51 2S 0.00075 0.00033 0.00009 0.00024 0.00519 52 2PX -0.00064 0.00095 -0.00031 -0.00102 0.01086 53 2PY 0.00085 0.00014 0.00001 0.00058 0.00104 54 2PZ -0.00130 -0.00054 -0.00015 0.00021 -0.00671 55 3S 0.00139 0.00153 -0.00045 -0.00045 -0.01450 56 3PX -0.00048 0.00089 -0.00045 -0.00134 0.00463 57 3PY -0.00036 0.00019 -0.00009 0.00087 -0.01080 58 3PZ -0.00106 0.00028 -0.00063 -0.00014 -0.00049 59 4XX -0.00004 -0.00002 0.00000 -0.00003 -0.00008 60 4YY -0.00001 0.00006 -0.00002 -0.00006 -0.00060 61 4ZZ 0.00004 0.00000 0.00000 0.00006 -0.00029 62 4XY -0.00007 -0.00005 0.00003 -0.00001 -0.00005 63 4XZ 0.00010 -0.00002 0.00003 -0.00003 0.00043 64 4YZ 0.00002 0.00001 -0.00001 -0.00003 0.00037 65 5 C 1S 0.00045 -0.00005 0.00002 -0.00021 0.00123 66 2S -0.00105 0.00068 -0.00034 0.00053 -0.00316 67 2PX -0.00209 0.00075 -0.00037 0.00135 -0.02878 68 2PY -0.00120 -0.00005 -0.00008 -0.00023 -0.00974 69 2PZ 0.00136 -0.00012 0.00016 -0.00029 0.00595 70 3S -0.00027 -0.00132 0.00064 0.00082 0.04968 71 3PX -0.00098 0.00083 -0.00045 0.00075 0.00554 72 3PY 0.00051 -0.00172 0.00107 -0.00004 0.01076 73 3PZ 0.00012 -0.00114 0.00038 0.00000 0.00885 74 4XX -0.00027 0.00004 -0.00010 -0.00008 -0.00584 75 4YY 0.00009 0.00004 0.00002 -0.00004 0.00288 76 4ZZ 0.00018 0.00011 -0.00001 0.00010 0.00057 77 4XY 0.00022 -0.00016 0.00016 0.00002 -0.00149 78 4XZ -0.00004 -0.00005 0.00003 -0.00008 0.00557 79 4YZ -0.00017 -0.00001 -0.00005 -0.00002 0.00079 80 6 C 1S 0.00079 -0.00019 0.00008 0.00013 -0.00131 81 2S -0.00074 -0.00010 -0.00001 -0.00040 0.00421 82 2PX 0.00012 -0.00027 0.00018 -0.00019 0.00920 83 2PY 0.00099 -0.00062 0.00079 0.00050 0.00106 84 2PZ 0.00021 0.00025 -0.00001 0.00019 -0.00632 85 3S -0.00273 0.00085 -0.00044 0.00139 -0.01219 86 3PX -0.00002 -0.00049 0.00042 -0.00029 -0.00574 87 3PY 0.00029 -0.00197 0.00152 0.00150 0.01384 88 3PZ -0.00028 -0.00127 0.00078 0.00058 -0.00425 89 4XX -0.00012 -0.00019 0.00004 0.00008 -0.00091 90 4YY 0.00001 -0.00007 0.00001 -0.00003 -0.00027 91 4ZZ 0.00011 0.00000 0.00006 -0.00005 0.00007 92 4XY 0.00002 -0.00010 0.00002 0.00003 0.00034 93 4XZ -0.00003 -0.00013 0.00005 0.00002 0.00021 94 4YZ -0.00006 0.00001 0.00001 0.00000 0.00018 95 7 C 1S 0.00039 0.00022 -0.00019 -0.00031 -0.00065 96 2S -0.00048 -0.00221 0.00090 0.00061 0.00221 97 2PX -0.00136 -0.00268 -0.00016 0.00150 0.00229 98 2PY -0.00092 -0.00019 -0.00040 0.00016 -0.00345 99 2PZ 0.00088 0.00169 0.00003 -0.00093 -0.00066 100 3S -0.00164 0.00347 -0.00176 0.00172 0.00251 101 3PX -0.00206 0.00036 -0.00064 0.00282 0.00452 102 3PY -0.00166 -0.00358 0.00146 0.00050 -0.00056 103 3PZ -0.00059 -0.00074 0.00120 0.00151 0.00106 104 4XX 0.00003 -0.00005 0.00003 0.00009 -0.00031 105 4YY -0.00009 -0.00024 0.00008 0.00000 -0.00021 106 4ZZ 0.00008 0.00001 0.00004 -0.00008 0.00036 107 4XY 0.00005 0.00010 -0.00008 -0.00009 -0.00008 108 4XZ -0.00007 -0.00021 0.00009 0.00012 0.00007 109 4YZ -0.00002 -0.00002 0.00005 0.00003 0.00013 110 8 C 1S 0.00101 0.00099 -0.00055 -0.00095 0.00086 111 2S -0.00082 -0.00114 0.00040 0.00197 0.00019 112 2PX -0.00042 -0.00099 0.00049 0.00256 -0.00434 113 2PY 0.00049 -0.00062 -0.00012 0.00153 0.00059 114 2PZ 0.00029 0.00339 -0.00085 -0.00212 -0.00045 115 3S -0.00529 -0.01219 0.00563 0.00510 -0.01540 116 3PX -0.00215 -0.00074 0.00036 0.00407 -0.01083 117 3PY 0.00392 0.00383 -0.00245 -0.00394 -0.00541 118 3PZ 0.00032 0.00687 -0.00269 -0.00009 0.00698 119 4XX 0.00018 0.00005 0.00000 -0.00001 0.00006 120 4YY -0.00009 0.00006 -0.00002 -0.00002 0.00007 121 4ZZ 0.00003 0.00016 -0.00010 0.00000 -0.00011 122 4XY 0.00017 0.00017 -0.00006 -0.00019 -0.00060 123 4XZ -0.00015 -0.00017 0.00008 0.00014 -0.00010 124 4YZ -0.00020 -0.00014 0.00011 0.00031 0.00003 125 9 C 1S -0.00014 -0.00013 -0.00003 0.00039 -0.00018 126 2S -0.00002 0.00054 -0.00013 -0.00087 0.00122 127 2PX -0.00070 -0.00072 0.00060 -0.00025 0.00417 128 2PY 0.00018 0.00104 -0.00025 -0.00168 -0.00373 129 2PZ 0.00073 0.00004 -0.00024 0.00034 -0.00409 130 3S 0.00358 0.00162 -0.00090 -0.00411 0.00033 131 3PX 0.00008 -0.00053 0.00030 -0.00097 0.00112 132 3PY 0.00188 0.00240 -0.00142 -0.00312 -0.00475 133 3PZ -0.00026 0.00049 -0.00035 0.00028 -0.00255 134 4XX 0.00000 0.00005 -0.00003 0.00010 -0.00027 135 4YY 0.00003 0.00016 -0.00007 -0.00015 -0.00003 136 4ZZ 0.00006 0.00004 -0.00002 0.00005 0.00028 137 4XY -0.00004 -0.00007 0.00002 0.00005 -0.00034 138 4XZ 0.00009 0.00001 0.00000 -0.00003 -0.00009 139 4YZ 0.00000 0.00008 -0.00002 -0.00006 0.00046 140 10 H 1S -0.00044 -0.00016 0.00006 -0.00018 -0.00242 141 2S -0.00106 -0.00019 -0.00002 -0.00023 -0.00535 142 11 H 1S 0.00018 -0.00039 0.00022 -0.00020 0.01357 143 2S 0.00063 -0.00170 0.00088 -0.00058 0.01235 144 12 H 1S -0.00058 0.00006 0.00016 0.00139 -0.00081 145 2S -0.00033 -0.00130 0.00084 0.00026 0.00271 146 13 H 1S 0.00037 -0.00042 0.00011 0.00038 -0.00033 147 2S 0.00041 -0.00075 0.00029 0.00077 -0.00063 148 14 C 1S 0.00012 0.00004 0.00000 -0.00007 0.00072 149 2S -0.00022 -0.00011 0.00001 0.00013 -0.00151 150 2PX 0.00017 -0.00015 0.00031 -0.00024 0.00140 151 2PY 0.00058 -0.00012 0.00024 -0.00034 0.00528 152 2PZ -0.00114 -0.00010 -0.00038 0.00045 -0.00442 153 3S 0.00013 -0.00077 0.00039 -0.00005 -0.00606 154 3PX 0.00052 -0.00041 0.00047 -0.00037 0.00099 155 3PY 0.00064 0.00083 -0.00030 -0.00056 -0.00132 156 3PZ -0.00062 0.00021 -0.00041 0.00015 -0.00511 157 4XX 0.00002 0.00002 0.00000 -0.00004 0.00053 158 4YY 0.00001 -0.00002 0.00000 -0.00002 0.00013 159 4ZZ 0.00002 0.00004 -0.00001 0.00000 -0.00026 160 4XY 0.00005 -0.00001 0.00002 0.00002 -0.00020 161 4XZ 0.00000 0.00004 -0.00001 0.00000 -0.00024 162 4YZ 0.00003 -0.00001 0.00002 0.00000 0.00011 163 15 H 1S -0.00005 -0.00006 -0.00007 -0.00010 0.00177 164 2S -0.00023 -0.00029 0.00007 -0.00014 0.00371 165 16 H 1S 0.00027 0.00008 0.00006 0.00008 -0.00135 166 2S 0.00049 0.00032 0.00000 -0.00011 -0.00169 167 17 C 1S 0.00031 0.00008 0.00001 -0.00006 0.00054 168 2S -0.00073 -0.00083 0.00023 0.00024 -0.00106 169 2PX -0.00121 -0.00142 -0.00040 0.00061 -0.00052 170 2PY 0.00008 -0.00040 -0.00023 0.00029 0.00174 171 2PZ 0.00089 0.00153 0.00036 -0.00029 0.00072 172 3S 0.00060 0.00241 -0.00126 -0.00041 -0.00171 173 3PX -0.00014 -0.00061 -0.00053 -0.00053 -0.00013 174 3PY -0.00051 -0.00121 0.00023 0.00025 0.00071 175 3PZ 0.00067 0.00037 0.00057 -0.00063 0.00105 176 4XX 0.00002 -0.00010 0.00002 0.00000 -0.00004 177 4YY 0.00002 0.00001 0.00002 -0.00002 0.00000 178 4ZZ -0.00001 -0.00010 0.00004 0.00002 0.00009 179 4XY 0.00003 0.00009 0.00001 -0.00002 0.00003 180 4XZ -0.00001 -0.00003 0.00003 0.00002 0.00003 181 4YZ -0.00006 -0.00009 0.00001 0.00007 -0.00007 182 18 H 1S -0.00025 -0.00022 0.00004 0.00027 0.00020 183 2S -0.00006 0.00006 0.00005 0.00046 0.00000 184 19 H 1S 0.00011 -0.00013 0.00002 -0.00008 0.00047 185 2S 0.00033 -0.00015 -0.00001 -0.00037 0.00129 36 37 38 39 40 36 2S 0.51063 37 2PX 0.02233 0.57093 38 2PY -0.03356 -0.09897 0.73212 39 2PZ -0.06947 0.01721 -0.06227 0.69557 40 3S 0.63719 0.11300 -0.02487 -0.10050 0.89608 41 3PX 0.01950 0.35548 -0.09286 0.01647 0.08368 42 3PY -0.01630 -0.09952 0.51298 -0.04810 -0.00654 43 3PZ -0.03543 0.02364 -0.04651 0.50202 -0.03396 44 4XX 0.00245 -0.01040 -0.00448 -0.00917 -0.00415 45 4YY -0.00818 -0.00229 0.01952 -0.01289 -0.01319 46 4ZZ -0.01069 0.00199 -0.00890 0.03415 -0.01598 47 4XY 0.01019 0.01076 -0.00493 0.00169 0.01275 48 4XZ 0.00192 0.02382 -0.00310 -0.00339 0.00552 49 4YZ 0.00361 -0.00150 0.02605 0.01305 0.00564 50 4 C 1S 0.00247 -0.00409 -0.01238 0.01749 0.00918 51 2S -0.01030 0.00091 0.04147 -0.04201 -0.01922 52 2PX -0.02319 0.00283 0.02465 0.00054 -0.07415 53 2PY -0.00178 0.01142 0.01243 -0.03313 -0.00489 54 2PZ 0.01868 -0.01096 -0.04978 0.06110 0.02619 55 3S 0.03043 0.01092 0.02373 -0.09182 0.04700 56 3PX -0.01095 0.02374 -0.00631 0.01829 -0.03587 57 3PY 0.02234 0.00686 -0.02230 -0.03134 0.03680 58 3PZ 0.00222 -0.00610 -0.05549 0.07721 0.00666 59 4XX 0.00011 0.00175 0.00025 -0.00014 -0.00007 60 4YY 0.00155 -0.00350 0.00100 -0.00102 0.00256 61 4ZZ 0.00067 -0.00429 0.00067 0.00189 -0.00100 62 4XY 0.00005 -0.00192 0.00088 0.00242 -0.00078 63 4XZ -0.00093 0.00496 0.00423 -0.00743 -0.00090 64 4YZ -0.00036 0.00126 0.00001 0.00063 -0.00021 65 5 C 1S -0.00467 0.05262 0.00580 -0.02720 0.04182 66 2S 0.00450 -0.10830 -0.01954 0.04849 -0.05134 67 2PX 0.06850 -0.28072 -0.03828 0.12745 0.02944 68 2PY 0.02161 -0.06163 -0.00970 0.03388 0.02266 69 2PZ -0.01796 0.10884 0.01891 -0.04867 0.02407 70 3S -0.11778 -0.07434 0.04030 0.07988 -0.20273 71 3PX -0.01310 -0.08362 -0.03679 0.03498 -0.04471 72 3PY -0.02435 -0.03910 0.05633 0.01299 -0.03523 73 3PZ -0.01957 0.02857 0.01440 0.05304 -0.00610 74 4XX 0.01446 -0.01327 -0.01496 0.02031 0.01686 75 4YY -0.00600 0.00929 0.00803 -0.00412 -0.00720 76 4ZZ -0.00027 0.00218 0.00417 -0.01770 0.00013 77 4XY 0.00334 -0.01436 0.02028 0.00501 0.00262 78 4XZ -0.01338 0.01786 0.00610 0.01040 -0.01708 79 4YZ -0.00199 0.00749 -0.01034 0.00660 -0.00257 80 6 C 1S 0.00240 -0.01455 0.01329 0.00289 0.00492 81 2S -0.00937 0.03771 -0.03654 0.00519 -0.01014 82 2PX -0.01938 0.04965 -0.03321 -0.00646 -0.06524 83 2PY 0.00169 -0.04115 0.04587 0.00710 -0.02120 84 2PZ 0.01300 -0.01485 0.00803 -0.00124 0.04355 85 3S 0.02614 0.04762 -0.09294 -0.04909 0.03706 86 3PX 0.01287 0.01780 0.00497 -0.02889 0.00525 87 3PY -0.02873 -0.04250 0.09047 0.00284 -0.05347 88 3PZ 0.00785 -0.02692 0.02496 -0.00926 0.03235 89 4XX 0.00171 -0.00788 0.00192 0.00488 0.00251 90 4YY 0.00025 0.00564 -0.00423 -0.00066 0.00056 91 4ZZ 0.00027 0.00026 -0.00109 0.00035 -0.00125 92 4XY -0.00074 0.00255 0.00205 -0.00115 0.00125 93 4XZ -0.00033 0.00448 -0.00397 -0.00077 -0.00024 94 4YZ -0.00038 -0.00193 0.00077 0.00222 -0.00130 95 7 C 1S 0.00206 -0.00255 0.00306 0.00516 0.00076 96 2S -0.00516 0.00972 -0.00575 -0.01186 -0.00900 97 2PX -0.00573 0.00876 -0.01480 -0.01659 -0.00940 98 2PY 0.00333 -0.00654 0.00393 0.01425 0.03010 99 2PZ 0.00281 -0.01793 0.01234 -0.00378 -0.00392 100 3S 0.00133 -0.00119 -0.03525 -0.02798 -0.03017 101 3PX -0.00802 -0.01473 0.01379 -0.04587 -0.02351 102 3PY -0.00255 -0.00191 -0.00782 0.04333 0.01337 103 3PZ -0.00172 -0.02708 0.02042 -0.03467 -0.00912 104 4XX 0.00046 -0.00116 0.00161 -0.00229 0.00164 105 4YY -0.00004 0.00146 -0.00303 0.00047 0.00214 106 4ZZ -0.00090 0.00135 0.00130 0.00170 -0.00269 107 4XY 0.00000 -0.00010 -0.00016 0.00162 0.00123 108 4XZ -0.00018 0.00024 -0.00047 -0.00029 -0.00013 109 4YZ -0.00027 0.00177 -0.00030 0.00058 -0.00110 110 8 C 1S 0.00010 -0.00251 0.00921 0.00902 -0.01604 111 2S -0.00063 0.00397 -0.01495 -0.03133 0.00769 112 2PX 0.00693 0.00963 -0.02556 -0.02723 0.03236 113 2PY -0.00078 0.00303 0.01046 0.01857 -0.00440 114 2PZ 0.00030 -0.00246 0.04575 0.07077 0.00428 115 3S 0.03100 0.02122 -0.05346 0.01373 0.08489 116 3PX 0.02513 0.01580 -0.04860 -0.09074 0.04576 117 3PY 0.01285 0.04229 -0.03200 0.00144 0.01996 118 3PZ -0.01341 -0.01775 0.03761 -0.01456 -0.04647 119 4XX 0.00014 -0.00197 -0.00326 -0.00617 -0.00111 120 4YY -0.00045 0.00083 0.00209 -0.00173 -0.00044 121 4ZZ 0.00008 0.00060 0.00208 0.00436 0.00059 122 4XY 0.00131 -0.00093 0.00050 0.00061 0.00325 123 4XZ -0.00004 0.00210 0.00263 0.00226 0.00033 124 4YZ -0.00014 0.00048 0.00166 0.00475 -0.00091 125 9 C 1S 0.00014 -0.00253 -0.00191 0.00440 0.00026 126 2S -0.00179 -0.00005 0.00987 -0.01565 -0.00631 127 2PX -0.01283 0.03285 0.02745 -0.05670 -0.02122 128 2PY 0.00710 -0.01526 -0.00670 0.00860 0.02843 129 2PZ 0.00763 -0.01804 -0.01889 0.03747 0.02783 130 3S 0.00273 0.03053 0.01513 -0.01896 0.00735 131 3PX -0.00524 0.02944 0.02625 -0.03088 -0.00697 132 3PY 0.01076 0.00808 -0.03214 0.02489 0.02771 133 3PZ 0.00420 -0.02606 -0.00906 0.02506 0.01145 134 4XX 0.00048 -0.00083 -0.00137 -0.00038 0.00147 135 4YY 0.00002 -0.00022 0.00016 0.00022 0.00003 136 4ZZ -0.00070 0.00001 0.00259 -0.00139 -0.00191 137 4XY 0.00068 0.00075 -0.00182 0.00157 0.00221 138 4XZ 0.00018 -0.00018 0.00121 -0.00229 0.00099 139 4YZ -0.00102 0.00004 0.00244 0.00178 -0.00248 140 10 H 1S 0.00534 -0.01288 -0.00673 0.01435 0.01448 141 2S 0.01111 -0.01051 -0.03231 0.02762 0.02287 142 11 H 1S -0.03020 0.02637 0.02196 0.02402 -0.05955 143 2S -0.02826 0.04577 0.04449 0.04866 -0.03820 144 12 H 1S 0.00067 0.00731 0.01740 0.03288 0.01095 145 2S -0.00838 0.00274 0.03703 0.07299 -0.00069 146 13 H 1S -0.00002 -0.00015 -0.00018 -0.00338 0.00409 147 2S 0.00089 0.00600 -0.00597 -0.01289 0.00542 148 14 C 1S -0.00175 0.00706 -0.00213 -0.00137 -0.00406 149 2S 0.00361 -0.01513 0.00313 0.00399 0.00805 150 2PX -0.00157 0.01292 -0.00737 -0.00308 -0.00959 151 2PY -0.00894 0.03689 -0.01242 -0.01071 -0.04482 152 2PZ 0.00839 -0.05185 0.02828 0.01670 0.03953 153 3S 0.01391 -0.03662 0.03249 -0.00987 0.02413 154 3PX -0.00084 0.01541 0.00090 -0.00687 -0.00966 155 3PY 0.00434 0.03214 -0.03166 -0.01496 -0.01372 156 3PZ 0.00971 -0.04254 0.02811 0.01135 0.03336 157 4XX -0.00112 0.00201 -0.00057 -0.00051 -0.00279 158 4YY -0.00046 0.00211 -0.00081 -0.00006 -0.00060 159 4ZZ 0.00055 -0.00185 0.00135 0.00006 0.00173 160 4XY 0.00046 -0.00192 0.00103 0.00036 0.00038 161 4XZ 0.00052 -0.00159 0.00145 -0.00007 0.00204 162 4YZ -0.00016 -0.00021 0.00024 0.00022 -0.00118 163 15 H 1S -0.00325 0.01248 -0.00600 -0.00188 -0.01416 164 2S -0.00786 0.02528 -0.01050 0.00148 -0.01810 165 16 H 1S 0.00235 -0.00745 0.00342 0.00065 0.00708 166 2S 0.00315 -0.00484 0.00609 0.00247 0.00715 167 17 C 1S -0.00020 0.00074 0.00150 -0.00048 -0.00586 168 2S 0.00069 -0.00092 -0.00375 0.00325 0.01152 169 2PX -0.00092 -0.00564 -0.00415 0.01085 0.01312 170 2PY -0.00219 -0.00176 -0.00026 0.00005 -0.01155 171 2PZ 0.00103 0.00718 0.00106 -0.01812 -0.01760 172 3S 0.00316 0.00035 0.00331 -0.02944 0.00945 173 3PX -0.00151 -0.00040 -0.00345 0.02287 0.00921 174 3PY -0.00153 -0.00554 -0.00520 0.01358 -0.00032 175 3PZ -0.00111 0.01210 -0.00079 0.00572 -0.01195 176 4XX 0.00003 0.00027 -0.00001 -0.00011 0.00028 177 4YY 0.00004 -0.00073 0.00117 -0.00022 0.00002 178 4ZZ -0.00022 0.00035 0.00009 0.00021 -0.00041 179 4XY 0.00005 -0.00044 0.00056 0.00019 -0.00025 180 4XZ -0.00004 -0.00012 0.00026 0.00026 -0.00024 181 4YZ 0.00004 0.00017 -0.00015 -0.00032 0.00075 182 18 H 1S -0.00015 -0.00005 -0.00085 -0.00129 -0.00149 183 2S 0.00083 -0.00179 0.00589 -0.00791 -0.00265 184 19 H 1S -0.00085 0.00057 -0.00005 0.00042 -0.00262 185 2S -0.00254 0.00555 -0.00007 0.00655 -0.00857 41 42 43 44 45 41 3PX 0.22996 42 3PY -0.08154 0.36342 43 3PZ 0.02139 -0.03444 0.36848 44 4XX -0.00656 -0.00273 -0.00764 0.00131 45 4YY -0.00308 0.01322 -0.01037 0.00032 0.00132 46 4ZZ 0.00133 -0.00684 0.02370 -0.00032 -0.00043 47 4XY 0.00654 -0.00359 0.00162 0.00001 -0.00017 48 4XZ 0.01455 -0.00346 -0.00183 -0.00028 0.00004 49 4YZ -0.00197 0.01788 0.00974 -0.00044 0.00037 50 4 C 1S -0.00407 -0.01029 0.01764 -0.00037 -0.00153 51 2S 0.00150 0.03200 -0.03804 -0.00026 0.00241 52 2PX 0.01478 0.01944 -0.00770 0.00138 0.00137 53 2PY 0.01243 0.01002 -0.03057 -0.00051 0.00097 54 2PZ -0.00315 -0.04366 0.05601 0.00170 -0.00188 55 3S 0.00385 0.01968 -0.07032 -0.00066 0.00211 56 3PX 0.02269 -0.00397 0.00947 0.00077 -0.00036 57 3PY 0.00280 -0.01580 -0.02237 -0.00024 -0.00035 58 3PZ -0.00219 -0.04305 0.06081 0.00062 -0.00271 59 4XX 0.00124 -0.00004 0.00011 -0.00003 -0.00001 60 4YY -0.00257 0.00050 -0.00055 0.00009 -0.00003 61 4ZZ -0.00252 0.00112 0.00117 0.00022 0.00006 62 4XY -0.00104 0.00074 0.00173 -0.00005 0.00000 63 4XZ 0.00332 0.00271 -0.00541 0.00005 0.00025 64 4YZ 0.00076 -0.00016 0.00102 0.00002 0.00011 65 5 C 1S 0.02184 0.00106 -0.01188 -0.00656 -0.00037 66 2S -0.05389 -0.00589 0.02617 0.00940 -0.00208 67 2PX -0.17386 -0.00593 0.08103 0.00067 -0.00376 68 2PY -0.03072 -0.01953 0.02199 0.00166 -0.00437 69 2PZ 0.06164 0.00892 -0.04753 -0.00873 -0.00055 70 3S -0.03032 0.03014 0.04448 0.00750 0.00014 71 3PX -0.04952 -0.01981 0.01775 0.00026 -0.00050 72 3PY -0.01920 0.03484 0.00643 0.00018 -0.00020 73 3PZ 0.01673 0.00824 0.03419 -0.00430 -0.00143 74 4XX -0.00805 -0.00980 0.01539 -0.00007 -0.00100 75 4YY 0.00584 0.00472 -0.00311 -0.00005 0.00042 76 4ZZ 0.00079 0.00331 -0.01303 0.00010 0.00055 77 4XY -0.00970 0.01533 0.00384 0.00005 0.00046 78 4XZ 0.01151 0.00338 0.00727 -0.00031 0.00032 79 4YZ 0.00526 -0.00783 0.00540 0.00025 -0.00028 80 6 C 1S -0.01418 0.01267 0.00299 -0.00075 0.00005 81 2S 0.03202 -0.03228 0.00357 0.00105 -0.00118 82 2PX 0.05234 -0.02779 -0.01581 0.00400 0.00003 83 2PY -0.02400 0.04630 0.00274 -0.00250 0.00482 84 2PZ -0.02097 0.01107 -0.00077 -0.00173 -0.00031 85 3S 0.03356 -0.07044 -0.03612 0.00121 -0.00183 86 3PX 0.01687 0.00370 -0.02244 0.00088 0.00120 87 3PY -0.02446 0.06887 -0.00185 -0.00029 0.00347 88 3PZ -0.02545 0.02054 -0.00394 -0.00135 0.00000 89 4XX -0.00563 0.00171 0.00368 -0.00009 -0.00017 90 4YY 0.00420 -0.00319 -0.00043 0.00017 -0.00018 91 4ZZ 0.00072 -0.00033 0.00006 -0.00004 0.00010 92 4XY 0.00070 0.00166 -0.00036 -0.00027 0.00016 93 4XZ 0.00317 -0.00278 -0.00072 -0.00017 -0.00001 94 4YZ -0.00109 0.00066 0.00179 0.00018 0.00002 95 7 C 1S -0.00273 -0.00052 0.00425 0.00035 -0.00002 96 2S 0.00841 -0.00112 -0.00930 0.00010 0.00063 97 2PX 0.00231 -0.01406 -0.01053 0.00161 -0.00069 98 2PY -0.01013 0.00004 0.01681 -0.00148 -0.00245 99 2PZ -0.01137 0.00722 -0.00318 0.00099 -0.00036 100 3S -0.00463 -0.02213 -0.02644 0.00279 0.00205 101 3PX -0.01483 0.00773 -0.03687 0.00258 0.00114 102 3PY -0.00211 -0.00482 0.03628 -0.00282 -0.00161 103 3PZ -0.01751 0.01473 -0.02716 0.00045 0.00087 104 4XX -0.00102 0.00113 -0.00146 -0.00021 0.00010 105 4YY 0.00075 -0.00240 0.00067 -0.00003 -0.00030 106 4ZZ 0.00170 0.00106 0.00105 0.00010 0.00009 107 4XY -0.00047 0.00012 0.00135 0.00004 -0.00007 108 4XZ 0.00020 0.00005 -0.00001 0.00013 0.00002 109 4YZ 0.00188 -0.00047 0.00005 -0.00012 0.00002 110 8 C 1S -0.00168 0.00559 0.00344 0.00122 0.00064 111 2S 0.00397 -0.01092 -0.02045 -0.00053 0.00035 112 2PX 0.00759 -0.02118 -0.01852 -0.00425 -0.00085 113 2PY 0.00400 0.00923 0.01367 0.00122 0.00055 114 2PZ -0.00060 0.04090 0.05592 0.00415 -0.00050 115 3S 0.01938 -0.04052 0.02452 -0.00685 -0.00288 116 3PX 0.00829 -0.03703 -0.06463 -0.00117 -0.00012 117 3PY 0.03044 -0.02165 0.00193 0.00154 -0.00091 118 3PZ -0.01548 0.02987 -0.01609 0.00587 0.00247 119 4XX -0.00124 -0.00214 -0.00485 0.00025 0.00006 120 4YY 0.00060 0.00156 -0.00108 0.00010 0.00001 121 4ZZ 0.00001 0.00120 0.00308 -0.00025 0.00007 122 4XY -0.00033 0.00063 0.00082 0.00000 0.00001 123 4XZ 0.00179 0.00231 0.00193 0.00012 0.00000 124 4YZ 0.00056 0.00108 0.00322 -0.00006 -0.00004 125 9 C 1S -0.00416 -0.00168 0.00291 -0.00001 -0.00017 126 2S 0.00321 0.00716 -0.01101 0.00075 0.00099 127 2PX 0.02307 0.02004 -0.04464 -0.00145 0.00068 128 2PY -0.01602 -0.00189 0.01044 0.00011 -0.00118 129 2PZ -0.02118 -0.01126 0.03037 -0.00057 -0.00134 130 3S 0.02344 0.01263 -0.01103 0.00125 0.00049 131 3PX 0.02160 0.01846 -0.02396 -0.00095 0.00025 132 3PY 0.00340 -0.02098 0.02038 0.00025 -0.00192 133 3PZ -0.02101 -0.00621 0.01930 -0.00041 -0.00033 134 4XX -0.00095 -0.00116 -0.00013 -0.00002 -0.00002 135 4YY -0.00015 0.00018 0.00051 0.00018 0.00001 136 4ZZ -0.00001 0.00194 -0.00179 -0.00015 0.00011 137 4XY 0.00056 -0.00146 0.00149 -0.00012 -0.00011 138 4XZ -0.00015 0.00101 -0.00165 0.00004 0.00008 139 4YZ 0.00042 0.00188 0.00112 0.00013 0.00007 140 10 H 1S -0.01242 -0.00594 0.01364 0.00007 -0.00060 141 2S -0.01008 -0.02487 0.02452 0.00018 -0.00190 142 11 H 1S 0.02147 0.01790 0.02310 0.00519 0.00236 143 2S 0.03180 0.03186 0.04195 0.00097 0.00208 144 12 H 1S 0.00750 0.01549 0.02700 0.00037 -0.00011 145 2S 0.00591 0.02978 0.05560 -0.00077 -0.00043 146 13 H 1S -0.00269 0.00073 -0.00321 -0.00075 0.00008 147 2S 0.00141 -0.00323 -0.01144 -0.00110 -0.00011 148 14 C 1S 0.00581 -0.00156 -0.00141 0.00054 -0.00003 149 2S -0.01203 0.00233 0.00389 -0.00109 0.00005 150 2PX 0.01403 -0.00553 0.00004 -0.00121 0.00123 151 2PY 0.03869 -0.00930 -0.01396 0.00196 0.00132 152 2PZ -0.04828 0.02111 0.01928 -0.00062 -0.00112 153 3S -0.02883 0.02562 -0.00517 -0.00158 0.00108 154 3PX 0.01557 0.00084 -0.00462 -0.00060 0.00121 155 3PY 0.02981 -0.02253 -0.01440 0.00102 0.00051 156 3PZ -0.03959 0.02147 0.01328 -0.00033 -0.00058 157 4XX 0.00201 -0.00059 -0.00053 0.00009 0.00008 158 4YY 0.00150 -0.00078 -0.00018 0.00008 -0.00007 159 4ZZ -0.00175 0.00122 0.00009 -0.00009 0.00001 160 4XY -0.00136 0.00124 0.00017 -0.00013 0.00011 161 4XZ -0.00163 0.00117 0.00019 -0.00014 0.00004 162 4YZ 0.00015 0.00035 -0.00007 -0.00001 0.00007 163 15 H 1S 0.01215 -0.00579 -0.00387 0.00122 -0.00017 164 2S 0.02142 -0.01084 -0.00063 0.00134 -0.00056 165 16 H 1S -0.00717 0.00361 -0.00029 -0.00087 0.00008 166 2S -0.00500 0.00658 0.00142 -0.00070 0.00045 167 17 C 1S 0.00114 0.00105 -0.00145 0.00042 0.00055 168 2S -0.00167 -0.00337 0.00471 -0.00088 -0.00098 169 2PX -0.01098 -0.00205 0.01152 0.00042 -0.00125 170 2PY -0.00179 0.00113 -0.00158 0.00123 0.00097 171 2PZ 0.01277 0.00073 -0.01782 -0.00071 0.00171 172 3S -0.00122 -0.00088 -0.02206 0.00094 -0.00066 173 3PX -0.00478 -0.00199 0.01945 0.00060 -0.00143 174 3PY -0.00582 -0.00199 0.01089 -0.00015 -0.00002 175 3PZ 0.01522 -0.00131 0.00190 -0.00133 0.00078 176 4XX 0.00017 -0.00005 0.00001 0.00000 0.00000 177 4YY -0.00046 0.00093 -0.00016 -0.00002 0.00005 178 4ZZ 0.00032 0.00011 0.00015 -0.00001 0.00004 179 4XY -0.00013 0.00053 -0.00001 -0.00007 0.00007 180 4XZ 0.00004 0.00023 0.00017 0.00000 0.00002 181 4YZ -0.00003 0.00001 -0.00011 -0.00007 0.00000 182 18 H 1S 0.00041 0.00035 -0.00127 -0.00026 0.00038 183 2S -0.00067 0.00594 -0.00668 -0.00002 0.00098 184 19 H 1S 0.00100 -0.00065 0.00010 0.00037 -0.00005 185 2S 0.00538 -0.00082 0.00411 0.00073 -0.00008 46 47 48 49 50 46 4ZZ 0.00216 47 4XY 0.00001 0.00071 48 4XZ -0.00016 0.00051 0.00124 49 4YZ 0.00032 -0.00004 -0.00003 0.00151 50 4 C 1S -0.00003 -0.00025 0.00032 0.00057 2.05364 51 2S -0.00073 0.00055 -0.00127 -0.00125 -0.06443 52 2PX 0.00130 0.00030 0.00008 -0.00262 -0.00120 53 2PY 0.00033 0.00190 -0.00118 -0.00100 0.00148 54 2PZ 0.00043 -0.00202 0.00532 0.00371 -0.00378 55 3S -0.00406 0.00049 -0.00044 -0.00256 -0.16407 56 3PX 0.00136 0.00049 0.00033 -0.00221 0.00500 57 3PY -0.00121 0.00088 -0.00003 -0.00101 0.00493 58 3PZ 0.00259 -0.00069 0.00122 0.00154 0.00615 59 4XX -0.00003 -0.00001 0.00014 0.00002 -0.01259 60 4YY -0.00019 -0.00029 -0.00009 0.00015 -0.02007 61 4ZZ 0.00012 0.00023 -0.00026 0.00002 -0.01580 62 4XY 0.00012 -0.00005 -0.00002 0.00004 -0.00343 63 4XZ -0.00035 0.00007 0.00024 -0.00004 -0.00143 64 4YZ -0.00005 0.00007 0.00038 0.00014 0.00110 65 5 C 1S -0.00234 -0.00075 0.00415 0.00039 0.01253 66 2S 0.00206 0.00094 -0.00818 -0.00094 -0.02073 67 2PX 0.00709 -0.00254 -0.01362 -0.00075 -0.01132 68 2PY -0.00003 -0.00946 -0.00404 0.00287 0.03310 69 2PZ 0.00121 -0.00096 -0.00231 -0.00299 -0.06134 70 3S 0.00508 -0.00231 -0.00725 0.00105 -0.01578 71 3PX 0.00320 -0.00152 -0.00406 -0.00179 -0.00569 72 3PY 0.00025 -0.00519 -0.00232 0.00295 -0.00294 73 3PZ 0.00360 -0.00073 -0.00201 0.00099 -0.01535 74 4XX 0.00084 0.00010 -0.00051 0.00009 0.00327 75 4YY -0.00023 -0.00021 0.00044 0.00021 0.00051 76 4ZZ -0.00076 0.00024 0.00024 -0.00032 -0.00526 77 4XY -0.00004 0.00001 -0.00043 0.00098 0.00048 78 4XZ 0.00070 0.00032 0.00070 0.00023 -0.00098 79 4YZ 0.00025 0.00029 0.00053 -0.00005 0.00515 80 6 C 1S -0.00035 0.00039 -0.00041 0.00064 -0.00340 81 2S 0.00047 -0.00126 0.00065 -0.00119 0.00615 82 2PX -0.00078 -0.00366 0.00087 -0.00015 0.00583 83 2PY 0.00135 0.00303 0.00059 0.00053 -0.01113 84 2PZ -0.00132 0.00204 0.00033 0.00075 0.00271 85 3S -0.00219 -0.00058 0.00169 -0.00409 0.01468 86 3PX -0.00136 -0.00019 0.00041 -0.00060 0.00248 87 3PY 0.00041 -0.00076 -0.00160 0.00259 -0.01697 88 3PZ -0.00095 0.00099 -0.00086 0.00068 0.00102 89 4XX 0.00016 -0.00007 -0.00039 0.00013 0.00016 90 4YY -0.00008 0.00010 0.00013 -0.00010 -0.00060 91 4ZZ 0.00012 0.00013 0.00013 -0.00005 -0.00054 92 4XY -0.00013 0.00020 0.00028 0.00004 -0.00005 93 4XZ 0.00011 0.00012 0.00014 -0.00023 -0.00047 94 4YZ -0.00002 0.00003 0.00006 0.00012 0.00138 95 7 C 1S 0.00081 -0.00024 -0.00041 0.00027 -0.00206 96 2S -0.00063 0.00054 0.00082 -0.00085 0.00346 97 2PX -0.00101 -0.00069 -0.00093 -0.00161 0.00108 98 2PY -0.00047 -0.00118 -0.00134 0.00082 -0.00643 99 2PZ 0.00123 -0.00042 -0.00089 -0.00023 0.00085 100 3S -0.00104 0.00183 0.00166 -0.00232 0.00934 101 3PX -0.00263 -0.00141 -0.00129 -0.00108 -0.00070 102 3PY 0.00257 0.00068 -0.00087 0.00038 -0.00292 103 3PZ -0.00036 -0.00066 -0.00105 -0.00027 -0.00226 104 4XX -0.00002 0.00009 -0.00003 0.00004 -0.00017 105 4YY -0.00005 -0.00009 -0.00001 -0.00006 0.00026 106 4ZZ 0.00008 -0.00002 0.00004 0.00001 -0.00027 107 4XY -0.00006 0.00007 0.00002 -0.00002 -0.00032 108 4XZ -0.00008 0.00011 0.00004 -0.00015 0.00004 109 4YZ 0.00012 -0.00010 0.00002 0.00009 0.00021 110 8 C 1S 0.00084 0.00002 -0.00002 0.00024 -0.00341 111 2S -0.00108 -0.00005 0.00043 -0.00087 0.00811 112 2PX -0.00035 -0.00046 0.00022 0.00067 -0.00576 113 2PY 0.00022 0.00100 -0.00088 -0.00055 -0.01502 114 2PZ -0.00100 0.00083 -0.00055 -0.00007 -0.00138 115 3S 0.00194 0.00109 0.00023 0.00132 0.00919 116 3PX -0.00370 0.00019 0.00087 -0.00199 -0.00265 117 3PY -0.00080 0.00156 0.00151 -0.00232 -0.00802 118 3PZ -0.00248 -0.00025 -0.00010 -0.00141 -0.00133 119 4XX -0.00018 0.00000 0.00008 -0.00023 -0.00024 120 4YY -0.00018 -0.00003 0.00002 -0.00011 -0.00108 121 4ZZ 0.00020 0.00003 -0.00003 0.00032 0.00074 122 4XY -0.00013 0.00002 0.00000 0.00009 -0.00127 123 4XZ -0.00011 0.00005 -0.00007 -0.00012 -0.00041 124 4YZ 0.00027 0.00003 -0.00001 0.00013 -0.00123 125 9 C 1S 0.00036 -0.00007 -0.00076 0.00005 0.01992 126 2S -0.00094 -0.00006 0.00122 0.00005 -0.03941 127 2PX -0.00186 -0.00041 -0.00079 -0.00269 0.03987 128 2PY -0.00077 -0.00031 -0.00097 0.00040 0.04793 129 2PZ 0.00093 -0.00020 -0.00221 0.00117 0.05867 130 3S -0.00186 0.00127 0.00303 -0.00026 -0.00562 131 3PX -0.00138 -0.00031 -0.00019 -0.00155 0.00769 132 3PY 0.00023 0.00039 0.00004 -0.00063 0.00903 133 3PZ 0.00080 -0.00061 -0.00163 0.00123 0.00964 134 4XX -0.00004 -0.00004 0.00000 0.00009 0.00072 135 4YY -0.00015 -0.00005 0.00008 -0.00003 0.00032 136 4ZZ 0.00011 0.00003 -0.00025 -0.00007 -0.00111 137 4XY 0.00004 -0.00003 0.00010 0.00009 -0.00235 138 4XZ -0.00014 0.00003 -0.00005 -0.00002 -0.00303 139 4YZ 0.00002 0.00003 0.00003 -0.00002 -0.00449 140 10 H 1S -0.00042 -0.00162 0.00031 0.00089 -0.06285 141 2S 0.00012 -0.00165 0.00035 0.00056 -0.01475 142 11 H 1S -0.00013 0.00479 0.00374 0.00175 0.00993 143 2S 0.00113 0.00368 0.00453 0.00353 0.00927 144 12 H 1S -0.00019 0.00069 -0.00027 0.00025 -0.00799 145 2S 0.00182 0.00050 -0.00070 0.00187 -0.00909 146 13 H 1S 0.00019 0.00002 -0.00106 -0.00006 0.01287 147 2S 0.00031 0.00027 -0.00126 -0.00077 0.01454 148 14 C 1S -0.00026 -0.00025 0.00025 0.00022 0.00127 149 2S 0.00076 0.00051 -0.00070 -0.00048 -0.00276 150 2PX 0.00197 0.00074 0.00034 -0.00141 -0.00811 151 2PY 0.00062 -0.00085 0.00148 -0.00008 -0.00225 152 2PZ -0.00020 0.00101 -0.00160 0.00105 0.00630 153 3S 0.00013 0.00099 -0.00177 -0.00016 -0.00521 154 3PX 0.00101 0.00056 0.00051 -0.00057 -0.00494 155 3PY 0.00016 0.00003 0.00135 -0.00113 0.00073 156 3PZ -0.00070 0.00085 -0.00127 0.00108 0.00641 157 4XX 0.00003 -0.00008 0.00007 -0.00004 0.00001 158 4YY -0.00005 -0.00005 0.00006 0.00003 0.00029 159 4ZZ -0.00005 0.00007 -0.00004 0.00005 0.00001 160 4XY 0.00002 0.00010 -0.00004 0.00000 -0.00045 161 4XZ -0.00002 0.00010 -0.00003 0.00001 -0.00015 162 4YZ 0.00002 0.00002 0.00002 0.00000 -0.00008 163 15 H 1S -0.00009 -0.00064 0.00045 0.00022 0.00232 164 2S 0.00003 -0.00096 0.00087 0.00033 0.00350 165 16 H 1S -0.00033 0.00026 -0.00029 -0.00002 -0.00165 166 2S -0.00039 0.00073 0.00016 0.00028 0.00015 167 17 C 1S 0.00017 0.00017 0.00016 -0.00006 0.00000 168 2S -0.00002 -0.00035 -0.00034 0.00023 0.00014 169 2PX -0.00111 -0.00006 -0.00046 -0.00013 0.00080 170 2PY -0.00020 0.00084 0.00020 -0.00050 0.00170 171 2PZ 0.00144 0.00006 0.00078 0.00014 0.00032 172 3S -0.00216 -0.00190 -0.00029 0.00015 0.00108 173 3PX -0.00032 -0.00001 -0.00014 -0.00001 0.00034 174 3PY 0.00055 0.00098 -0.00006 -0.00029 0.00111 175 3PZ 0.00198 0.00010 0.00055 0.00055 0.00021 176 4XX -0.00002 0.00002 -0.00001 -0.00001 -0.00001 177 4YY -0.00001 0.00001 -0.00001 0.00005 0.00003 178 4ZZ 0.00000 0.00002 0.00002 0.00002 -0.00003 179 4XY 0.00005 0.00002 0.00004 0.00007 0.00007 180 4XZ 0.00003 0.00002 0.00000 0.00001 0.00003 181 4YZ -0.00008 0.00001 0.00002 0.00003 -0.00007 182 18 H 1S 0.00013 0.00026 0.00022 0.00012 0.00078 183 2S -0.00032 0.00043 0.00041 0.00020 -0.00019 184 19 H 1S 0.00004 0.00003 -0.00015 -0.00023 0.00006 185 2S 0.00041 0.00003 -0.00004 -0.00035 -0.00036 51 52 53 54 55 51 2S 0.33043 52 2PX 0.00580 0.35801 53 2PY 0.00198 0.03062 0.41015 54 2PZ -0.00101 0.01962 0.00240 0.40523 55 3S 0.26379 -0.03482 -0.01814 -0.01786 0.25807 56 3PX -0.01348 0.20580 -0.02879 -0.02112 -0.02710 57 3PY -0.02159 -0.04574 0.14632 0.00843 -0.00611 58 3PZ -0.01704 -0.02242 0.00650 0.15623 -0.02431 59 4XX -0.01284 0.00893 -0.00360 -0.00028 -0.01028 60 4YY 0.00256 -0.00953 -0.01417 0.00290 0.00528 61 4ZZ -0.00553 -0.00274 0.01095 -0.00664 -0.00519 62 4XY 0.00754 0.00505 -0.00717 0.00352 0.00574 63 4XZ 0.00335 0.00719 0.00329 0.00103 0.00091 64 4YZ -0.00218 0.00159 0.00592 0.01577 -0.00276 65 5 C 1S -0.02636 0.00458 -0.02946 0.05861 0.03239 66 2S 0.04215 -0.01490 0.05787 -0.12714 -0.01552 67 2PX 0.02754 0.04362 0.01103 -0.05935 0.04245 68 2PY -0.07263 0.01282 -0.05513 0.14797 -0.04444 69 2PZ 0.12437 -0.05795 0.12291 -0.24979 0.14447 70 3S 0.03209 0.03260 0.08083 -0.11004 -0.05097 71 3PX 0.01472 0.02727 0.00770 -0.01813 0.01573 72 3PY -0.00348 0.02863 -0.01135 0.05759 -0.00835 73 3PZ 0.03294 -0.01440 0.04447 -0.08381 0.02338 74 4XX -0.00736 0.00145 -0.00524 0.01065 -0.00502 75 4YY -0.00155 0.00124 -0.01024 0.00043 -0.00101 76 4ZZ 0.00986 -0.00213 0.01099 -0.00213 0.00885 77 4XY -0.00014 -0.00472 0.00097 0.00119 -0.00205 78 4XZ 0.00230 0.01142 0.00202 -0.00333 -0.00248 79 4YZ -0.01016 0.00145 0.00160 0.01143 -0.01291 80 6 C 1S 0.00538 -0.00252 0.00778 -0.00794 0.01424 81 2S -0.01636 0.01496 -0.02307 0.01931 -0.01696 82 2PX -0.01260 0.00340 -0.02068 0.02434 -0.03188 83 2PY 0.03382 0.00404 0.02318 -0.03350 0.03926 84 2PZ -0.01058 -0.00307 0.00321 0.00577 -0.03262 85 3S -0.01987 -0.00819 -0.03746 0.02318 0.00249 86 3PX 0.00389 -0.00619 -0.00857 -0.02141 0.01540 87 3PY 0.02996 0.00478 0.03030 -0.02580 0.01988 88 3PZ -0.00087 -0.00523 0.01430 -0.00469 -0.00620 89 4XX -0.00101 0.00333 -0.00292 -0.00093 -0.00143 90 4YY 0.00073 -0.00352 0.00301 -0.00216 -0.00085 91 4ZZ 0.00071 0.00105 0.00004 0.00017 0.00068 92 4XY -0.00025 0.00095 -0.00132 0.00209 0.00011 93 4XZ 0.00139 0.00011 0.00188 -0.00395 0.00183 94 4YZ -0.00317 0.00408 -0.00515 0.00537 -0.00460 95 7 C 1S 0.00406 -0.00900 0.00943 0.00201 0.00390 96 2S -0.00590 0.02613 -0.01970 -0.00758 -0.01346 97 2PX 0.00071 0.01884 -0.01122 -0.01937 0.00006 98 2PY 0.01179 -0.03554 0.03285 0.00586 0.03109 99 2PZ -0.00389 0.02342 -0.01358 -0.01517 0.00813 100 3S -0.02118 0.03013 -0.05203 -0.00264 -0.02928 101 3PX 0.00089 -0.00169 -0.00762 -0.02047 0.00401 102 3PY 0.01098 0.00759 0.01259 -0.01358 0.01147 103 3PZ 0.00376 0.00651 -0.00319 -0.01734 0.00823 104 4XX 0.00065 0.00147 0.00008 -0.00108 0.00052 105 4YY -0.00119 -0.00194 0.00001 0.00095 -0.00161 106 4ZZ 0.00096 0.00107 0.00007 -0.00051 0.00165 107 4XY 0.00054 0.00000 0.00157 0.00201 0.00041 108 4XZ 0.00021 0.00123 -0.00025 -0.00043 0.00097 109 4YZ -0.00038 0.00248 -0.00133 0.00056 -0.00172 110 8 C 1S 0.00863 0.00497 0.01067 0.00415 -0.01134 111 2S -0.01928 -0.00895 -0.03077 -0.01314 -0.00355 112 2PX 0.01241 -0.01861 0.02299 0.02051 0.01617 113 2PY 0.03850 0.03791 0.03538 0.01720 0.05211 114 2PZ 0.00024 0.00827 -0.00846 -0.00098 0.04400 115 3S -0.02196 -0.04286 -0.04188 0.01104 -0.01466 116 3PX 0.00346 -0.03958 0.01562 0.00983 0.01015 117 3PY 0.01941 0.03618 0.03098 0.00661 0.03113 118 3PZ 0.00251 0.00828 -0.02461 -0.01063 0.03194 119 4XX 0.00063 -0.00289 0.00138 0.00199 0.00122 120 4YY 0.00220 0.00845 0.00232 0.00198 0.00123 121 4ZZ -0.00098 -0.00496 -0.00080 -0.00090 -0.00081 122 4XY 0.00264 -0.00623 0.00770 0.00548 0.00373 123 4XZ 0.00124 0.00846 -0.00123 -0.00205 0.00165 124 4YZ 0.00269 0.00418 0.00315 0.00266 0.00264 125 9 C 1S -0.03919 -0.03722 -0.04719 -0.06109 -0.00065 126 2S 0.06849 0.07183 0.09252 0.12469 0.02547 127 2PX -0.07791 0.18467 -0.16987 -0.19119 -0.07651 128 2PY -0.09991 -0.17523 -0.04485 -0.11329 -0.05111 129 2PZ -0.11587 -0.18689 -0.09180 -0.10886 -0.07557 130 3S 0.03232 0.07609 0.07790 0.08534 -0.00943 131 3PX -0.01993 0.15209 -0.08680 -0.08952 -0.02718 132 3PY -0.02373 -0.08400 0.00549 -0.03245 -0.00223 133 3PZ -0.03124 -0.10036 -0.01104 -0.00963 -0.01379 134 4XX -0.00199 -0.01115 -0.00059 0.00059 0.00023 135 4YY -0.00193 0.00002 -0.01363 -0.00006 0.00036 136 4ZZ 0.00180 0.00481 0.00597 -0.01085 0.00006 137 4XY 0.00411 -0.00375 -0.00049 0.00668 0.00367 138 4XZ 0.00583 -0.00382 0.00841 0.00241 0.00497 139 4YZ 0.00896 0.00895 0.00086 0.00517 0.00770 140 10 H 1S 0.11915 -0.08096 -0.24807 0.03334 0.11601 141 2S 0.02986 -0.07163 -0.20755 0.03302 0.04121 142 11 H 1S -0.01989 0.01700 0.00051 0.03898 -0.07209 143 2S -0.01930 0.02814 0.00227 0.06671 -0.06247 144 12 H 1S 0.01721 0.01802 0.01697 0.01817 0.04227 145 2S 0.02088 0.03323 0.03310 0.02327 0.02746 146 13 H 1S -0.02670 -0.01602 -0.00788 -0.04146 -0.03329 147 2S -0.02591 -0.02559 -0.00435 -0.08260 -0.02501 148 14 C 1S -0.00328 -0.00071 -0.00222 0.00669 -0.00602 149 2S 0.00728 0.00254 0.00529 -0.01582 0.01467 150 2PX 0.02227 -0.00702 0.01941 -0.03378 0.04872 151 2PY 0.00782 -0.01671 0.01240 -0.00307 -0.00785 152 2PZ -0.01511 0.02057 -0.01655 0.01723 -0.02329 153 3S 0.01612 -0.00660 0.01438 -0.04649 0.03066 154 3PX 0.01502 -0.00937 0.01879 -0.02494 0.02718 155 3PY 0.00378 -0.02026 0.00977 -0.00855 0.00384 156 3PZ -0.01390 0.01358 -0.01835 0.01129 -0.01839 157 4XX 0.00044 0.00003 0.00005 0.00019 0.00089 158 4YY -0.00086 -0.00017 -0.00037 0.00115 -0.00205 159 4ZZ -0.00015 0.00012 0.00026 -0.00013 -0.00034 160 4XY 0.00131 -0.00043 0.00130 -0.00196 0.00209 161 4XZ 0.00028 -0.00021 0.00049 -0.00060 0.00093 162 4YZ 0.00045 0.00017 0.00036 -0.00040 0.00040 163 15 H 1S -0.00539 -0.00096 -0.00434 0.01084 -0.02042 164 2S -0.00968 0.00745 -0.01158 0.02209 -0.02534 165 16 H 1S 0.00298 -0.00069 0.00338 -0.00623 0.00833 166 2S 0.00106 -0.00478 0.00536 -0.00144 0.00361 167 17 C 1S 0.00035 0.00444 -0.00186 -0.00055 -0.00230 168 2S -0.00148 -0.01068 0.00309 0.00187 0.00136 169 2PX -0.00150 -0.01998 0.00730 0.00713 -0.00416 170 2PY -0.00144 0.00895 -0.00781 -0.00051 -0.01169 171 2PZ 0.00034 0.01475 -0.00822 -0.00949 -0.00744 172 3S -0.00644 -0.03142 0.00683 0.01142 0.00134 173 3PX -0.00159 -0.00374 0.00458 0.01233 -0.00316 174 3PY -0.00092 0.00935 -0.00713 -0.00380 -0.00676 175 3PZ 0.00013 0.02102 -0.00842 -0.00524 -0.00691 176 4XX 0.00001 0.00067 -0.00022 -0.00001 -0.00024 177 4YY -0.00006 -0.00005 -0.00009 0.00005 0.00013 178 4ZZ 0.00009 -0.00069 0.00011 0.00014 -0.00037 179 4XY -0.00023 -0.00103 0.00006 0.00057 -0.00090 180 4XZ -0.00002 0.00033 -0.00019 0.00001 -0.00016 181 4YZ 0.00021 -0.00214 0.00110 0.00065 -0.00023 182 18 H 1S -0.00077 -0.00610 0.00056 0.00139 -0.00774 183 2S 0.00157 -0.01121 0.00501 0.00225 -0.00389 184 19 H 1S -0.00017 0.00999 -0.00406 -0.00211 0.00190 185 2S 0.00117 0.02266 -0.00579 -0.00296 0.00222 56 57 58 59 60 56 3PX 0.13215 57 3PY -0.04176 0.06900 58 3PZ -0.02131 0.00901 0.07555 59 4XX 0.00622 -0.00192 -0.00047 0.00093 60 4YY -0.00422 -0.00347 0.00122 -0.00008 0.00143 61 4ZZ -0.00245 0.00393 -0.00166 0.00013 -0.00069 62 4XY 0.00279 -0.00375 -0.00002 -0.00009 0.00039 63 4XZ 0.00353 -0.00037 -0.00067 0.00009 -0.00032 64 4YZ -0.00142 0.00244 0.00523 0.00002 -0.00015 65 5 C 1S 0.00197 0.01363 0.00298 0.00129 0.00113 66 2S 0.00067 0.00049 -0.02219 -0.00292 -0.00224 67 2PX 0.01764 0.00281 -0.02514 -0.00180 -0.00068 68 2PY 0.02254 -0.00690 0.07324 0.00341 0.00959 69 2PZ -0.02306 0.05223 -0.09074 -0.00641 -0.00121 70 3S 0.02292 -0.00790 -0.01571 -0.00117 -0.00430 71 3PX 0.01100 -0.00142 -0.01075 -0.00067 -0.00057 72 3PY 0.01618 -0.00888 0.02145 0.00106 0.00383 73 3PZ -0.00482 0.01184 -0.02049 -0.00171 -0.00112 74 4XX 0.00136 -0.00044 0.00583 0.00025 0.00015 75 4YY 0.00207 -0.00443 -0.00080 0.00025 0.00037 76 4ZZ -0.00380 0.00404 -0.00264 -0.00049 -0.00033 77 4XY -0.00489 -0.00013 -0.00007 -0.00018 -0.00005 78 4XZ 0.00692 -0.00286 -0.00225 0.00023 -0.00061 79 4YZ 0.00066 0.00014 0.00641 0.00039 -0.00026 80 6 C 1S -0.00733 0.01029 -0.00909 -0.00119 -0.00089 81 2S 0.02256 -0.01381 0.01619 0.00178 0.00174 82 2PX 0.00378 -0.01926 0.01704 0.00016 0.00345 83 2PY -0.02321 0.00150 -0.04077 -0.00199 -0.00481 84 2PZ -0.00674 -0.00207 0.02239 0.00042 -0.00112 85 3S 0.00835 -0.00357 0.01733 0.00148 0.00267 86 3PX 0.00004 -0.00253 -0.01566 -0.00051 0.00066 87 3PY -0.01201 0.00268 -0.02277 -0.00130 -0.00165 88 3PZ -0.00491 0.00690 0.00580 0.00000 -0.00103 89 4XX 0.00232 -0.00161 0.00040 0.00015 0.00002 90 4YY -0.00191 0.00115 0.00057 -0.00011 -0.00002 91 4ZZ -0.00021 -0.00018 -0.00177 -0.00007 -0.00014 92 4XY -0.00026 -0.00055 0.00023 0.00006 -0.00017 93 4XZ 0.00006 0.00046 -0.00230 -0.00009 -0.00015 94 4YZ 0.00251 -0.00275 0.00230 0.00027 0.00004 95 7 C 1S -0.00598 0.00514 0.00188 -0.00023 0.00008 96 2S 0.01558 -0.01636 -0.00605 0.00074 -0.00069 97 2PX 0.02102 -0.01125 -0.00091 0.00017 -0.00017 98 2PY -0.02382 0.02896 0.01071 -0.00049 0.00066 99 2PZ 0.02587 0.00071 -0.02161 0.00024 0.00059 100 3S 0.01846 -0.02821 -0.00512 0.00149 -0.00114 101 3PX 0.00256 -0.00322 -0.00288 0.00004 0.00101 102 3PY 0.00342 0.00542 -0.00604 0.00008 -0.00116 103 3PZ 0.00541 0.00268 -0.01907 0.00005 0.00009 104 4XX 0.00070 -0.00016 -0.00074 0.00007 -0.00029 105 4YY -0.00075 0.00056 0.00146 0.00003 0.00035 106 4ZZ 0.00072 -0.00022 -0.00102 -0.00005 -0.00003 107 4XY -0.00017 0.00049 0.00216 -0.00002 -0.00013 108 4XZ 0.00111 -0.00020 -0.00017 -0.00002 -0.00008 109 4YZ 0.00127 -0.00135 0.00013 0.00016 -0.00010 110 8 C 1S -0.00168 -0.00828 0.00594 -0.00036 -0.00173 111 2S 0.00179 -0.00276 -0.00936 0.00086 0.00376 112 2PX -0.02407 0.01697 0.01845 0.00120 -0.00368 113 2PY 0.02827 0.00587 0.02047 -0.00145 -0.00967 114 2PZ 0.02452 0.01084 0.00719 -0.00119 0.00218 115 3S -0.02335 0.00071 -0.00141 0.00115 0.00401 116 3PX -0.03246 0.01870 0.00937 0.00032 -0.00124 117 3PY 0.02909 0.00589 0.01141 -0.00067 -0.00520 118 3PZ 0.01745 -0.00215 -0.00525 -0.00070 0.00200 119 4XX -0.00221 0.00104 0.00032 -0.00016 -0.00014 120 4YY 0.00457 -0.00005 -0.00033 0.00013 0.00003 121 4ZZ -0.00299 0.00006 0.00098 -0.00002 -0.00022 122 4XY -0.00482 0.00425 0.00293 -0.00038 0.00010 123 4XZ 0.00632 -0.00182 -0.00047 0.00011 -0.00018 124 4YZ 0.00215 0.00080 0.00123 -0.00001 -0.00023 125 9 C 1S -0.00440 -0.00522 -0.01173 0.00072 0.00074 126 2S 0.01371 0.02320 0.02955 -0.00192 -0.00201 127 2PX 0.14482 -0.09002 -0.09205 0.01100 -0.00067 128 2PY -0.08400 0.02070 -0.03602 -0.00090 0.01232 129 2PZ -0.08443 -0.00192 -0.01783 0.00017 -0.00165 130 3S 0.02283 0.01184 0.01777 -0.00032 -0.00402 131 3PX 0.10895 -0.05614 -0.04672 0.00648 -0.00107 132 3PY -0.04160 0.01848 -0.00142 -0.00183 0.00420 133 3PZ -0.05522 0.01423 0.00807 -0.00157 0.00050 134 4XX -0.00645 0.00167 0.00169 -0.00019 0.00022 135 4YY 0.00223 -0.00453 -0.00025 0.00017 0.00078 136 4ZZ 0.00265 0.00061 -0.00436 0.00005 -0.00077 137 4XY -0.00304 0.00056 0.00283 -0.00021 0.00033 138 4XZ -0.00350 0.00344 0.00117 -0.00044 -0.00025 139 4YZ 0.00484 -0.00133 0.00149 -0.00014 -0.00011 140 10 H 1S -0.02743 -0.08431 0.00931 -0.00405 0.01309 141 2S -0.02035 -0.06346 0.01476 -0.00099 0.01145 142 11 H 1S 0.00184 -0.01996 0.01766 0.00116 -0.00429 143 2S 0.00380 -0.01767 0.02388 0.00148 -0.00351 144 12 H 1S 0.01703 0.01258 0.01689 -0.00053 -0.00245 145 2S 0.02033 0.00918 0.01841 -0.00055 -0.00317 146 13 H 1S -0.00657 -0.00224 -0.01429 0.00085 -0.00540 147 2S -0.00834 -0.00025 -0.02845 0.00062 -0.00502 148 14 C 1S -0.00018 -0.00036 0.00501 0.00007 0.00043 149 2S 0.00155 0.00208 -0.01130 -0.00017 -0.00084 150 2PX -0.00319 0.01233 -0.03646 -0.00106 -0.00165 151 2PY -0.01595 -0.00212 -0.00392 -0.00099 0.00040 152 2PZ 0.01839 -0.00655 0.02413 0.00205 -0.00022 153 3S -0.00337 0.00714 -0.02778 -0.00105 -0.00136 154 3PX -0.00681 0.00888 -0.02555 -0.00113 -0.00125 155 3PY -0.01465 0.00377 -0.00734 -0.00096 0.00000 156 3PZ 0.01258 -0.00684 0.01720 0.00141 -0.00003 157 4XX 0.00009 -0.00014 -0.00059 -0.00002 0.00004 158 4YY 0.00002 -0.00039 0.00131 0.00003 0.00009 159 4ZZ -0.00015 0.00018 0.00026 0.00000 -0.00006 160 4XY -0.00102 0.00058 -0.00164 -0.00011 -0.00016 161 4XZ -0.00019 0.00040 -0.00034 0.00000 -0.00010 162 4YZ -0.00043 -0.00011 -0.00075 -0.00005 -0.00006 163 15 H 1S -0.00093 -0.00666 0.01138 0.00026 0.00085 164 2S 0.00672 -0.00934 0.01556 0.00078 0.00127 165 16 H 1S -0.00315 0.00234 -0.00601 -0.00048 -0.00046 166 2S -0.00725 0.00277 -0.00305 -0.00053 -0.00085 167 17 C 1S 0.00248 -0.00324 -0.00061 -0.00010 -0.00036 168 2S -0.00653 0.00578 0.00228 0.00014 0.00076 169 2PX -0.01525 0.00333 0.01852 -0.00008 0.00103 170 2PY 0.00688 -0.01228 0.00455 -0.00024 -0.00058 171 2PZ 0.00453 -0.00723 -0.02212 0.00052 -0.00082 172 3S -0.01749 0.01159 0.01025 -0.00027 0.00289 173 3PX -0.00154 0.00053 0.01724 -0.00005 0.00075 174 3PY 0.00615 -0.00763 0.00106 0.00012 -0.00075 175 3PZ 0.01092 -0.00789 -0.01574 0.00067 -0.00106 176 4XX 0.00064 -0.00038 0.00023 0.00000 -0.00006 177 4YY -0.00015 0.00010 -0.00034 0.00000 -0.00001 178 4ZZ -0.00067 -0.00018 0.00018 -0.00002 -0.00001 179 4XY -0.00126 0.00002 -0.00010 0.00001 0.00003 180 4XZ 0.00024 -0.00016 -0.00018 0.00000 -0.00001 181 4YZ -0.00205 0.00045 0.00085 -0.00003 0.00001 182 18 H 1S -0.00789 -0.00229 0.00071 0.00005 0.00006 183 2S -0.01285 0.00010 0.00047 -0.00027 -0.00022 184 19 H 1S 0.01100 -0.00252 -0.00116 -0.00005 -0.00023 185 2S 0.01997 -0.00608 -0.00229 0.00010 -0.00065 61 62 63 64 65 61 4ZZ 0.00137 62 4XY -0.00054 0.00061 63 4XZ 0.00005 0.00003 0.00047 64 4YZ -0.00003 0.00012 0.00007 0.00099 65 5 C 1S -0.00453 0.00167 -0.00120 0.00373 2.05286 66 2S 0.00875 -0.00305 0.00200 -0.00794 -0.05500 67 2PX 0.00214 0.00324 -0.00629 -0.00202 0.01816 68 2PY -0.01034 -0.00031 -0.00101 -0.00183 0.00545 69 2PZ 0.00000 -0.00338 0.00002 -0.01202 -0.00052 70 3S 0.00813 -0.00339 0.00426 -0.00754 -0.22671 71 3PX 0.00031 0.00131 -0.00200 -0.00028 0.00675 72 3PY -0.00478 0.00105 0.00063 -0.00066 -0.01770 73 3PZ 0.00063 -0.00137 -0.00005 -0.00459 -0.02626 74 4XX -0.00014 0.00021 -0.00058 0.00029 -0.01358 75 4YY -0.00042 0.00010 0.00014 -0.00012 -0.01510 76 4ZZ 0.00025 -0.00004 0.00026 0.00028 -0.01550 77 4XY 0.00049 0.00007 -0.00016 0.00034 -0.00046 78 4XZ 0.00014 0.00019 0.00043 0.00013 -0.00147 79 4YZ 0.00015 -0.00025 0.00016 0.00055 -0.00179 80 6 C 1S 0.00055 0.00038 -0.00019 0.00073 0.01244 81 2S -0.00195 -0.00080 0.00069 -0.00181 -0.02543 82 2PX -0.00240 -0.00121 0.00133 -0.00211 -0.03519 83 2PY 0.00502 0.00292 -0.00291 0.00556 0.05578 84 2PZ -0.00101 -0.00247 0.00087 0.00018 0.01276 85 3S -0.00376 -0.00110 -0.00016 -0.00191 0.02320 86 3PX 0.00042 -0.00008 -0.00046 -0.00076 0.01715 87 3PY 0.00234 0.00120 -0.00016 0.00102 -0.01535 88 3PZ 0.00013 -0.00131 0.00031 -0.00019 0.00703 89 4XX -0.00008 0.00014 -0.00010 -0.00011 0.00094 90 4YY 0.00015 -0.00018 0.00015 -0.00020 -0.00478 91 4ZZ 0.00014 0.00008 -0.00006 0.00022 0.00167 92 4XY -0.00001 0.00012 -0.00002 0.00037 0.00411 93 4XZ 0.00012 0.00000 -0.00006 -0.00001 0.00144 94 4YZ -0.00012 0.00007 0.00009 0.00017 -0.00072 95 7 C 1S -0.00008 0.00019 0.00003 -0.00022 -0.00317 96 2S 0.00030 -0.00025 0.00022 0.00035 0.00695 97 2PX 0.00094 0.00031 0.00019 -0.00120 -0.00474 98 2PY -0.00077 0.00093 -0.00029 -0.00082 -0.00994 99 2PZ -0.00022 -0.00072 0.00049 -0.00215 -0.00758 100 3S 0.00118 -0.00036 0.00011 0.00108 0.00137 101 3PX -0.00018 -0.00026 0.00033 -0.00162 -0.01583 102 3PY 0.00044 0.00151 -0.00061 0.00005 0.01412 103 3PZ -0.00006 -0.00064 0.00048 -0.00167 -0.00465 104 4XX 0.00016 -0.00003 0.00008 -0.00005 0.00067 105 4YY -0.00034 0.00005 0.00001 -0.00005 -0.00125 106 4ZZ 0.00007 0.00007 -0.00003 0.00003 -0.00040 107 4XY 0.00002 -0.00009 0.00001 0.00006 0.00024 108 4XZ 0.00007 0.00001 -0.00005 0.00009 0.00069 109 4YZ -0.00006 -0.00008 0.00012 -0.00019 -0.00084 110 8 C 1S 0.00122 -0.00127 0.00025 -0.00041 -0.00504 111 2S -0.00274 0.00234 -0.00044 0.00101 0.00467 112 2PX 0.00003 -0.00100 0.00142 -0.00186 -0.00231 113 2PY 0.00664 -0.00548 0.00083 -0.00304 -0.00721 114 2PZ -0.00116 0.00039 -0.00156 0.00061 -0.00530 115 3S -0.00345 0.00357 -0.00143 0.00101 0.04117 116 3PX -0.00016 -0.00141 0.00120 -0.00121 -0.00970 117 3PY 0.00324 -0.00278 0.00104 -0.00073 -0.01057 118 3PZ -0.00088 -0.00015 -0.00074 -0.00024 -0.01343 119 4XX 0.00018 -0.00027 -0.00004 0.00002 -0.00031 120 4YY -0.00027 0.00035 0.00026 0.00023 -0.00048 121 4ZZ 0.00031 -0.00021 -0.00007 -0.00016 -0.00110 122 4XY 0.00003 -0.00005 -0.00010 0.00037 0.00025 123 4XZ -0.00007 0.00004 0.00009 -0.00012 0.00005 124 4YZ -0.00015 0.00000 0.00002 -0.00006 -0.00061 125 9 C 1S -0.00136 -0.00221 -0.00310 -0.00445 -0.00303 126 2S 0.00150 0.00420 0.00580 0.00899 0.00757 127 2PX -0.00330 0.00314 0.00377 -0.00935 -0.00791 128 2PY -0.00363 0.00070 -0.00680 -0.00071 0.00058 129 2PZ 0.01188 -0.00810 -0.00302 -0.00593 -0.00849 130 3S 0.00323 0.00254 0.00565 0.00799 -0.01437 131 3PX -0.00324 0.00275 0.00340 -0.00495 -0.00178 132 3PY -0.00059 -0.00048 -0.00298 0.00015 -0.00580 133 3PZ 0.00443 -0.00291 -0.00188 -0.00076 0.00913 134 4XX 0.00001 -0.00030 -0.00034 -0.00013 0.00016 135 4YY -0.00066 0.00033 -0.00022 -0.00009 0.00107 136 4ZZ 0.00073 -0.00028 0.00029 -0.00046 -0.00205 137 4XY -0.00034 0.00025 -0.00004 0.00025 0.00071 138 4XZ 0.00039 -0.00018 0.00013 0.00016 -0.00067 139 4YZ -0.00038 0.00028 0.00012 0.00006 -0.00006 140 10 H 1S -0.00966 0.00700 -0.00231 -0.00323 0.01308 141 2S -0.00835 0.00472 -0.00295 -0.00218 0.01907 142 11 H 1S 0.00615 -0.00027 0.00310 0.00448 -0.05948 143 2S 0.00312 0.00081 0.00230 0.00584 -0.01744 144 12 H 1S 0.00049 -0.00089 -0.00001 -0.00037 -0.00262 145 2S 0.00081 -0.00061 0.00010 0.00020 -0.00053 146 13 H 1S 0.00862 -0.00328 0.00266 -0.00177 -0.00755 147 2S 0.00757 -0.00397 0.00135 -0.00399 -0.01275 148 14 C 1S -0.00030 -0.00036 0.00042 -0.00017 -0.00469 149 2S 0.00072 0.00081 -0.00091 0.00020 0.00917 150 2PX 0.00311 0.00167 -0.00170 0.00091 0.00985 151 2PY 0.00088 -0.00029 0.00047 -0.00012 -0.01292 152 2PZ -0.00132 0.00001 0.00052 0.00005 0.00351 153 3S 0.00217 0.00068 -0.00161 -0.00009 0.02467 154 3PX 0.00248 0.00056 -0.00083 0.00055 0.00599 155 3PY 0.00105 -0.00041 -0.00024 0.00003 -0.00091 156 3PZ -0.00091 -0.00006 0.00023 0.00015 0.00808 157 4XX 0.00003 0.00005 -0.00001 0.00002 -0.00067 158 4YY -0.00012 -0.00008 0.00010 -0.00008 -0.00120 159 4ZZ 0.00000 -0.00006 0.00000 0.00002 0.00073 160 4XY 0.00018 0.00006 -0.00012 0.00014 0.00199 161 4XZ 0.00006 0.00000 -0.00005 0.00007 0.00126 162 4YZ 0.00007 0.00004 -0.00004 0.00008 0.00080 163 15 H 1S -0.00090 -0.00045 0.00078 -0.00058 -0.01049 164 2S -0.00160 -0.00043 0.00130 -0.00078 -0.01635 165 16 H 1S 0.00022 0.00005 -0.00050 0.00032 0.00821 166 2S 0.00073 -0.00019 -0.00041 0.00089 0.00906 167 17 C 1S 0.00027 -0.00016 0.00005 0.00021 0.00127 168 2S -0.00068 0.00034 -0.00011 -0.00036 -0.00317 169 2PX -0.00063 0.00073 -0.00068 0.00085 0.00111 170 2PY 0.00095 -0.00003 -0.00031 0.00104 0.00646 171 2PZ 0.00054 -0.00059 0.00070 -0.00082 0.00093 172 3S -0.00207 -0.00056 0.00026 -0.00099 -0.01522 173 3PX -0.00069 0.00059 -0.00044 0.00086 0.00104 174 3PY 0.00070 0.00046 -0.00040 0.00081 0.00777 175 3PZ 0.00052 -0.00016 0.00064 -0.00069 0.00087 176 4XX 0.00004 -0.00002 0.00002 -0.00001 0.00000 177 4YY 0.00002 -0.00003 0.00000 0.00001 0.00019 178 4ZZ 0.00003 0.00002 -0.00002 0.00006 0.00010 179 4XY -0.00003 0.00000 -0.00001 0.00006 0.00014 180 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00005 181 4YZ 0.00000 0.00004 -0.00004 0.00010 0.00041 182 18 H 1S 0.00011 0.00015 -0.00017 0.00047 0.00275 183 2S 0.00044 -0.00003 -0.00024 0.00085 0.00395 184 19 H 1S 0.00022 -0.00015 0.00011 -0.00029 -0.00128 185 2S 0.00041 -0.00016 0.00029 -0.00044 -0.00145 66 67 68 69 70 66 2S 0.32326 67 2PX -0.03013 0.32028 68 2PY -0.01106 -0.02480 0.42277 69 2PZ 0.00538 0.04783 0.01903 0.42071 70 3S 0.31373 -0.08027 0.02852 0.01150 0.39321 71 3PX -0.02536 0.11168 -0.01014 0.02329 -0.03264 72 3PY 0.00640 -0.01452 0.16876 0.00792 0.04866 73 3PZ 0.02312 0.02094 0.01466 0.14006 0.04078 74 4XX -0.00684 0.01662 0.00671 -0.00952 -0.01137 75 4YY -0.00423 -0.00911 0.00690 -0.00131 0.00045 76 4ZZ -0.00281 -0.00177 -0.01461 0.00494 -0.00262 77 4XY 0.00155 0.00696 -0.01134 -0.00992 0.00097 78 4XZ 0.00312 -0.01065 -0.01111 -0.00310 0.00904 79 4YZ 0.00402 -0.01155 -0.00003 -0.01600 0.00557 80 6 C 1S -0.02021 0.03021 -0.06049 -0.00937 -0.01197 81 2S 0.04041 -0.06233 0.12721 0.01489 0.02109 82 2PX 0.06691 -0.05318 0.15209 0.00373 0.13220 83 2PY -0.11573 0.14672 -0.24299 -0.04297 -0.14570 84 2PZ -0.02703 0.01300 -0.06152 0.01711 -0.03808 85 3S -0.01278 -0.03546 0.12528 0.03982 -0.04591 86 3PX -0.00466 0.00822 0.01613 0.02044 -0.01797 87 3PY -0.00035 0.04324 -0.06495 -0.00455 0.01869 88 3PZ -0.01274 0.01123 -0.03068 0.02139 -0.03359 89 4XX -0.00141 0.00693 0.00050 -0.00018 -0.00213 90 4YY 0.00913 -0.00754 0.00098 0.00122 0.01258 91 4ZZ -0.00374 0.00389 -0.00787 -0.00323 -0.00401 92 4XY -0.00872 0.00170 -0.01053 -0.00369 -0.01018 93 4XZ -0.00291 0.00222 -0.00441 0.00470 -0.00469 94 4YZ 0.00110 -0.00239 0.00077 -0.00989 0.00159 95 7 C 1S 0.00731 -0.00563 0.01298 0.00672 0.00582 96 2S -0.01769 0.01126 -0.03195 -0.01200 -0.00400 97 2PX 0.01057 -0.00237 0.01599 0.01164 0.01164 98 2PY 0.02718 -0.02505 0.04443 0.02014 0.06726 99 2PZ 0.02359 -0.01084 0.03762 0.00985 0.02197 100 3S -0.02361 0.01888 -0.07343 -0.05885 -0.02861 101 3PX 0.01814 -0.00498 0.03504 0.02038 0.03047 102 3PY -0.01285 0.02611 -0.02458 0.01582 -0.02281 103 3PZ 0.00816 0.00202 0.01833 0.02007 0.00523 104 4XX -0.00158 0.00055 -0.00504 0.00020 -0.00306 105 4YY 0.00197 -0.00370 0.00694 0.00190 0.00281 106 4ZZ 0.00059 0.00098 0.00051 -0.00064 0.00017 107 4XY -0.00017 0.00021 -0.00074 0.00018 -0.00157 108 4XZ -0.00128 0.00176 -0.00351 -0.00111 -0.00324 109 4YZ 0.00149 -0.00189 0.00525 0.00132 0.00326 110 8 C 1S 0.00530 0.00395 0.00245 0.00690 0.03947 111 2S -0.01763 -0.01132 -0.00878 -0.01991 -0.03256 112 2PX 0.00260 -0.03113 0.01303 0.02459 0.02616 113 2PY 0.02057 0.01981 -0.02172 0.03057 0.02444 114 2PZ 0.02355 0.02111 0.02585 -0.01235 0.00285 115 3S -0.04322 -0.01238 -0.01135 -0.02237 -0.06837 116 3PX 0.00203 -0.04218 0.00766 0.02052 0.00932 117 3PY 0.01309 -0.00860 -0.01906 0.01635 0.00948 118 3PZ 0.01839 0.00746 0.01673 -0.01699 0.00895 119 4XX -0.00074 0.00015 -0.00152 -0.00034 -0.00201 120 4YY -0.00003 -0.00087 0.00220 -0.00152 0.00146 121 4ZZ 0.00046 -0.00013 -0.00177 0.00136 0.00070 122 4XY -0.00039 0.00011 -0.00002 0.00041 -0.00228 123 4XZ 0.00067 0.00199 0.00030 0.00113 0.00051 124 4YZ 0.00111 0.00062 0.00200 0.00072 0.00208 125 9 C 1S 0.00936 0.00378 -0.00118 0.01633 -0.00020 126 2S -0.02039 -0.00939 0.00725 -0.03987 -0.00559 127 2PX 0.01806 -0.00328 0.01183 0.02867 0.04349 128 2PY 0.00422 0.00268 -0.00616 0.01570 -0.04000 129 2PZ 0.03063 0.00756 -0.01966 0.04684 0.01035 130 3S -0.00670 -0.03346 -0.04283 -0.06277 0.01037 131 3PX 0.00713 -0.00429 0.02317 0.02031 0.02923 132 3PY 0.00616 0.00344 -0.00387 0.02196 -0.01654 133 3PZ 0.00345 0.01482 0.00944 0.02122 -0.00977 134 4XX -0.00001 -0.00153 0.00085 0.00060 -0.00112 135 4YY -0.00221 -0.00092 0.00313 -0.00626 -0.00413 136 4ZZ 0.00456 0.00339 -0.00422 0.01097 0.00638 137 4XY -0.00167 -0.00180 0.00173 -0.00237 -0.00172 138 4XZ 0.00143 0.00010 -0.00175 0.00492 0.00100 139 4YZ -0.00004 0.00146 0.00051 -0.00128 0.00086 140 10 H 1S -0.02849 -0.00531 0.03808 -0.03177 -0.05365 141 2S -0.03209 -0.00944 0.06806 -0.04769 -0.05336 142 11 H 1S 0.11622 -0.11224 -0.15750 -0.20144 0.12395 143 2S 0.03247 -0.08026 -0.12889 -0.16743 0.04703 144 12 H 1S 0.00955 0.00607 0.00422 0.00389 0.00456 145 2S 0.00913 0.02000 0.00168 0.00591 0.01244 146 13 H 1S 0.01853 0.00455 -0.01766 0.03851 0.02656 147 2S 0.02582 0.00965 -0.02977 0.06789 0.02941 148 14 C 1S 0.01033 -0.01182 0.01145 -0.00478 0.01730 149 2S -0.02123 0.02735 -0.02360 0.01251 -0.03481 150 2PX -0.02175 0.02768 -0.04347 0.01168 -0.06857 151 2PY 0.02779 -0.01837 0.01416 -0.00404 0.08433 152 2PZ -0.00579 -0.00218 -0.01204 -0.01820 -0.02929 153 3S -0.03551 0.06004 -0.06106 0.03572 -0.07354 154 3PX -0.00851 0.01462 -0.03578 0.00893 -0.02870 155 3PY 0.00763 -0.00531 -0.00263 0.00454 0.02566 156 3PZ -0.00849 0.00518 -0.01759 -0.01826 -0.02874 157 4XX 0.00086 -0.00122 0.00268 -0.00044 0.00116 158 4YY 0.00249 -0.00347 0.00372 0.00000 0.00577 159 4ZZ -0.00146 0.00165 -0.00312 0.00039 -0.00285 160 4XY -0.00386 0.00587 -0.00796 0.00030 -0.00625 161 4XZ -0.00244 0.00184 -0.00389 0.00053 -0.00559 162 4YZ -0.00139 0.00234 -0.00287 -0.00078 -0.00079 163 15 H 1S 0.02131 -0.02393 0.03319 -0.00456 0.06250 164 2S 0.03163 -0.04589 0.05958 -0.01194 0.07553 165 16 H 1S -0.01827 0.02230 -0.02101 0.00784 -0.02848 166 2S -0.01742 0.01955 -0.03987 -0.00532 -0.02912 167 17 C 1S -0.00405 0.00473 -0.00920 -0.00287 -0.00621 168 2S 0.00691 -0.01062 0.01916 0.00570 0.01782 169 2PX -0.00149 0.00289 -0.00236 -0.00310 -0.00645 170 2PY -0.01628 0.02216 -0.03496 -0.01108 -0.05685 171 2PZ -0.00202 -0.00109 -0.00266 0.00250 -0.01604 172 3S 0.02855 -0.04196 0.07695 0.01571 0.05512 173 3PX 0.00140 0.00010 0.00497 -0.00768 -0.00090 174 3PY -0.01675 0.02240 -0.03929 -0.01030 -0.04215 175 3PZ -0.00028 -0.00202 0.00030 -0.00053 -0.00208 176 4XX -0.00021 0.00008 -0.00044 0.00011 -0.00104 177 4YY -0.00029 0.00031 -0.00073 -0.00036 0.00032 178 4ZZ -0.00071 0.00060 -0.00139 -0.00040 -0.00173 179 4XY -0.00075 0.00030 -0.00128 -0.00077 -0.00170 180 4XZ -0.00009 0.00033 -0.00027 -0.00016 -0.00084 181 4YZ -0.00095 0.00031 -0.00185 -0.00038 -0.00090 182 18 H 1S -0.00674 0.00540 -0.01289 -0.00396 -0.02370 183 2S -0.01053 0.00882 -0.02615 -0.00713 -0.02666 184 19 H 1S 0.00251 0.00035 0.00468 0.00163 0.00195 185 2S 0.00483 0.00151 0.00751 0.00078 0.00606 71 72 73 74 75 71 3PX 0.05087 72 3PY -0.00330 0.08744 73 3PZ 0.00859 0.00992 0.06499 74 4XX 0.00383 -0.00026 -0.00213 0.00263 75 4YY -0.00175 0.00362 -0.00081 -0.00066 0.00121 76 4ZZ -0.00003 -0.00485 -0.00033 -0.00074 -0.00021 77 4XY 0.00130 -0.00254 -0.00203 0.00010 -0.00033 78 4XZ -0.00250 -0.00194 0.00006 -0.00099 0.00045 79 4YZ -0.00378 -0.00104 -0.00345 0.00010 0.00001 80 6 C 1S 0.00368 -0.01167 -0.00402 0.00017 -0.00420 81 2S -0.01262 0.02730 0.00158 -0.00059 0.00778 82 2PX 0.01651 0.08687 0.02302 -0.01136 0.00974 83 2PY 0.07627 -0.09453 -0.02885 -0.00027 0.00006 84 2PZ 0.00656 -0.03910 0.03462 0.00090 -0.00355 85 3S -0.00068 0.01759 0.00242 0.00037 0.00630 86 3PX 0.01505 0.00159 -0.00450 -0.00296 0.00343 87 3PY 0.02316 -0.00431 -0.00159 -0.00407 0.00132 88 3PZ -0.00263 -0.02544 0.01342 0.00216 -0.00313 89 4XX 0.00130 -0.00028 0.00156 0.00068 -0.00037 90 4YY -0.00314 0.00160 0.00156 -0.00059 0.00000 91 4ZZ 0.00260 -0.00181 -0.00212 -0.00003 -0.00007 92 4XY 0.00106 -0.00474 -0.00067 0.00006 -0.00003 93 4XZ 0.00227 -0.00235 0.00099 -0.00015 0.00015 94 4YZ -0.00081 0.00042 -0.00228 0.00013 0.00021 95 7 C 1S -0.00723 0.00647 0.00022 0.00062 -0.00114 96 2S 0.01289 -0.01099 0.00138 -0.00166 0.00238 97 2PX -0.00288 -0.00421 0.01085 -0.00024 -0.00087 98 2PY -0.04402 0.03467 0.00740 0.00232 -0.00320 99 2PZ -0.02119 0.02374 -0.02507 0.00379 -0.00391 100 3S 0.02090 -0.03541 -0.01496 -0.00070 0.00207 101 3PX -0.00253 0.01327 0.01200 -0.00260 0.00118 102 3PY 0.00154 -0.01413 0.00436 0.00325 -0.00214 103 3PZ -0.00327 0.01360 -0.01027 0.00053 -0.00123 104 4XX -0.00017 -0.00265 -0.00013 0.00017 -0.00025 105 4YY -0.00214 0.00280 0.00163 0.00004 -0.00005 106 4ZZ 0.00146 0.00053 -0.00131 -0.00023 0.00033 107 4XY -0.00006 -0.00185 0.00090 0.00008 -0.00001 108 4XZ 0.00105 -0.00265 -0.00091 0.00000 0.00009 109 4YZ 0.00049 0.00271 0.00105 -0.00021 0.00039 110 8 C 1S 0.00558 0.01028 0.01399 -0.00096 -0.00050 111 2S -0.00524 -0.00661 -0.01419 0.00026 0.00022 112 2PX -0.01665 0.01263 0.02084 -0.00057 0.00002 113 2PY 0.00691 -0.02394 0.01054 0.00022 -0.00114 114 2PZ -0.00688 0.00042 -0.02092 0.00089 0.00181 115 3S -0.00922 -0.00658 -0.00770 0.00441 -0.00201 116 3PX -0.01763 0.00343 0.01009 -0.00198 -0.00007 117 3PY -0.00545 -0.02245 0.00045 0.00026 -0.00090 118 3PZ -0.00100 0.00276 -0.02451 -0.00171 0.00254 119 4XX 0.00081 -0.00110 -0.00163 -0.00005 -0.00008 120 4YY -0.00107 0.00196 -0.00085 -0.00004 0.00001 121 4ZZ -0.00006 -0.00142 0.00185 0.00001 0.00009 122 4XY -0.00005 -0.00049 -0.00025 -0.00003 -0.00017 123 4XZ 0.00109 -0.00052 0.00096 -0.00015 0.00024 124 4YZ 0.00013 0.00177 0.00031 0.00009 -0.00006 125 9 C 1S -0.00026 -0.00502 0.00568 0.00000 0.00110 126 2S -0.00201 0.01099 -0.01564 -0.00016 -0.00166 127 2PX -0.00192 0.01154 0.01736 -0.00261 0.00679 128 2PY -0.00875 -0.01115 -0.00624 0.00005 0.00022 129 2PZ -0.00719 -0.04683 0.02267 0.00131 0.00178 130 3S -0.01303 -0.01182 -0.02105 -0.00135 -0.00108 131 3PX -0.00216 0.01643 0.01332 -0.00152 0.00394 132 3PY -0.00457 -0.01236 0.00395 0.00097 -0.00102 133 3PZ 0.00175 -0.01259 0.00932 0.00149 -0.00027 134 4XX -0.00075 -0.00035 0.00012 0.00001 -0.00003 135 4YY -0.00056 0.00079 -0.00306 0.00017 0.00038 136 4ZZ 0.00145 -0.00157 0.00466 -0.00035 -0.00012 137 4XY -0.00095 0.00122 -0.00067 0.00011 -0.00002 138 4XZ 0.00010 -0.00106 0.00137 -0.00025 -0.00022 139 4YZ 0.00075 0.00147 -0.00077 -0.00003 0.00003 140 10 H 1S -0.00448 0.01517 -0.01678 0.00164 0.00526 141 2S -0.00766 0.02095 -0.01945 0.00380 0.00439 142 11 H 1S -0.04397 -0.05275 -0.05732 -0.00542 -0.00030 143 2S -0.02648 -0.03893 -0.04224 -0.00339 0.00046 144 12 H 1S -0.00403 -0.00505 -0.00194 0.00033 0.00046 145 2S 0.00541 -0.00029 0.00822 0.00039 0.00029 146 13 H 1S -0.00044 -0.02199 0.02020 -0.00061 0.00055 147 2S 0.00278 -0.02441 0.02813 -0.00149 0.00010 148 14 C 1S -0.00283 0.00463 -0.00031 -0.00154 0.00050 149 2S 0.00536 -0.00946 -0.00001 0.00315 -0.00102 150 2PX 0.01152 -0.03297 -0.03721 0.00192 0.00229 151 2PY 0.01018 0.02349 -0.00730 -0.00697 0.00334 152 2PZ -0.02870 -0.03608 -0.00261 0.00787 -0.00511 153 3S 0.01563 -0.03349 -0.00062 0.00389 -0.00257 154 3PX 0.01058 -0.01731 -0.02043 -0.00070 0.00135 155 3PY 0.01033 0.00520 -0.00672 -0.00373 0.00212 156 3PZ -0.01706 -0.02737 0.00132 0.00543 -0.00386 157 4XX 0.00042 0.00109 -0.00132 -0.00023 0.00037 158 4YY -0.00115 0.00260 0.00137 -0.00026 0.00001 159 4ZZ 0.00041 -0.00168 0.00087 0.00012 -0.00020 160 4XY 0.00293 -0.00310 0.00005 0.00002 -0.00006 161 4XZ 0.00023 -0.00272 -0.00004 0.00028 -0.00011 162 4YZ 0.00174 0.00009 0.00016 -0.00014 0.00007 163 15 H 1S -0.00623 0.02448 0.00725 -0.00235 0.00047 164 2S -0.01510 0.03522 0.00377 -0.00262 0.00122 165 16 H 1S 0.01224 0.00106 0.01211 0.00019 -0.00036 166 2S 0.01250 -0.00988 0.00671 -0.00038 -0.00031 167 17 C 1S 0.00700 -0.00481 0.00115 -0.00045 0.00041 168 2S -0.01431 0.01217 0.00067 0.00085 -0.00092 169 2PX -0.00533 -0.01327 0.01267 0.00046 -0.00051 170 2PY 0.02615 -0.03647 0.00219 -0.00084 0.00067 171 2PZ 0.01430 0.00350 -0.01881 -0.00122 0.00130 172 3S -0.02712 0.04201 0.00545 -0.00147 0.00020 173 3PX -0.00598 -0.00679 0.00824 0.00100 -0.00061 174 3PY 0.01378 -0.02968 0.00094 0.00114 -0.00057 175 3PZ 0.00810 0.00703 -0.01158 -0.00029 0.00094 176 4XX 0.00032 -0.00081 0.00036 0.00001 -0.00002 177 4YY -0.00009 0.00021 -0.00043 0.00001 0.00000 178 4ZZ 0.00106 -0.00104 0.00022 -0.00010 0.00010 179 4XY 0.00083 -0.00047 -0.00045 -0.00005 0.00008 180 4XZ 0.00036 -0.00033 -0.00040 0.00001 -0.00001 181 4YZ 0.00041 -0.00100 0.00075 -0.00013 0.00009 182 18 H 1S 0.00902 -0.01275 -0.00241 -0.00055 0.00043 183 2S 0.01244 -0.01666 -0.00315 -0.00129 0.00080 184 19 H 1S -0.00037 0.00097 -0.00016 0.00029 -0.00037 185 2S 0.00152 0.00181 -0.00132 0.00023 -0.00007 76 77 78 79 80 76 4ZZ 0.00147 77 4XY 0.00033 0.00174 78 4XZ 0.00006 -0.00005 0.00198 79 4YZ -0.00029 -0.00004 0.00046 0.00165 80 6 C 1S 0.00288 0.00553 0.00062 -0.00151 2.05315 81 2S -0.00673 -0.01083 -0.00041 0.00324 -0.06586 82 2PX -0.00442 -0.00119 0.00111 0.00477 0.00585 83 2PY 0.00822 0.01152 0.00311 -0.00518 -0.00274 84 2PZ 0.00336 0.00409 -0.00586 0.00894 0.00287 85 3S -0.00473 -0.01100 -0.00535 0.00204 -0.15644 86 3PX -0.00055 -0.00119 0.00035 -0.00268 -0.02331 87 3PY 0.00321 0.00630 0.00277 -0.00333 0.00608 88 3PZ 0.00177 0.00105 -0.00351 0.00232 -0.01548 89 4XX -0.00024 0.00020 -0.00026 -0.00016 -0.01546 90 4YY 0.00006 -0.00004 0.00021 0.00034 -0.01527 91 4ZZ 0.00032 0.00043 0.00022 -0.00007 -0.01372 92 4XY 0.00035 0.00040 0.00015 0.00017 0.00127 93 4XZ 0.00013 -0.00024 0.00018 -0.00020 -0.00283 94 4YZ -0.00024 0.00016 0.00010 0.00066 -0.00203 95 7 C 1S -0.00027 -0.00036 0.00002 -0.00122 0.01462 96 2S 0.00054 0.00060 0.00074 0.00247 -0.02817 97 2PX -0.00157 -0.00167 0.00252 -0.00291 0.03477 98 2PY -0.00058 -0.00129 -0.00064 -0.00487 0.04112 99 2PZ -0.00086 -0.00271 0.00016 -0.00346 0.04713 100 3S 0.00134 0.00200 0.00043 0.00467 -0.00225 101 3PX -0.00042 -0.00086 -0.00090 -0.00181 0.00690 102 3PY -0.00061 -0.00053 0.00151 -0.00285 -0.00711 103 3PZ 0.00053 -0.00116 -0.00149 -0.00225 0.00333 104 4XX 0.00015 0.00009 0.00004 -0.00009 0.00029 105 4YY -0.00021 -0.00030 -0.00019 0.00021 -0.00083 106 4ZZ -0.00007 -0.00001 0.00026 -0.00022 -0.00236 107 4XY 0.00004 -0.00005 -0.00018 0.00025 -0.00344 108 4XZ 0.00007 -0.00001 0.00006 0.00004 -0.00322 109 4YZ -0.00025 -0.00024 0.00001 0.00018 -0.00457 110 8 C 1S -0.00039 -0.00034 -0.00038 -0.00044 -0.00351 111 2S -0.00015 0.00036 0.00064 0.00065 0.00780 112 2PX 0.00062 -0.00088 -0.00237 0.00080 -0.01222 113 2PY 0.00097 -0.00104 0.00081 -0.00216 0.00251 114 2PZ -0.00169 -0.00015 0.00006 -0.00133 -0.00940 115 3S -0.00211 0.00070 0.00073 0.00073 0.01010 116 3PX 0.00219 -0.00167 -0.00384 0.00142 -0.00838 117 3PY 0.00109 -0.00291 0.00157 -0.00040 0.00086 118 3PZ 0.00020 -0.00040 -0.00055 -0.00153 -0.00331 119 4XX 0.00031 -0.00004 -0.00034 0.00007 -0.00059 120 4YY 0.00004 -0.00018 0.00030 -0.00007 0.00080 121 4ZZ -0.00010 0.00023 -0.00005 0.00002 -0.00056 122 4XY 0.00032 0.00022 -0.00028 0.00008 -0.00049 123 4XZ -0.00015 -0.00014 0.00031 -0.00001 -0.00133 124 4YZ -0.00001 -0.00005 0.00015 0.00004 -0.00035 125 9 C 1S -0.00155 -0.00013 -0.00101 -0.00081 -0.00206 126 2S 0.00349 0.00058 0.00213 0.00177 0.00419 127 2PX -0.00783 -0.00596 0.00616 -0.00236 -0.00955 128 2PY -0.00165 0.00302 -0.00439 -0.00067 0.00592 129 2PZ -0.00561 0.00197 -0.00730 -0.00189 -0.00169 130 3S 0.00366 0.00147 0.00445 0.00356 0.00299 131 3PX -0.00441 -0.00467 0.00481 -0.00148 -0.00668 132 3PY -0.00008 0.00021 -0.00247 -0.00023 -0.00036 133 3PZ -0.00164 0.00147 -0.00458 -0.00117 0.00081 134 4XX 0.00004 0.00012 -0.00043 0.00004 -0.00040 135 4YY -0.00037 -0.00006 0.00000 0.00004 -0.00016 136 4ZZ 0.00010 -0.00011 0.00019 -0.00046 0.00024 137 4XY 0.00008 0.00007 -0.00010 0.00009 0.00001 138 4XZ 0.00043 0.00007 -0.00017 -0.00015 0.00008 139 4YZ 0.00018 -0.00010 0.00032 -0.00012 -0.00019 140 10 H 1S -0.00321 -0.00029 -0.00341 -0.00421 -0.00392 141 2S -0.00543 -0.00125 -0.00406 -0.00121 -0.00437 142 11 H 1S 0.00273 0.00793 0.01104 0.01249 0.01031 143 2S 0.00229 0.00778 0.00973 0.01047 0.01227 144 12 H 1S -0.00010 -0.00013 0.00050 -0.00025 -0.00698 145 2S -0.00053 0.00108 0.00167 0.00036 -0.00965 146 13 H 1S -0.00174 -0.00024 -0.00132 -0.00136 -0.00038 147 2S -0.00099 -0.00076 -0.00127 -0.00242 0.00040 148 14 C 1S -0.00002 0.00079 -0.00001 0.00162 0.02095 149 2S -0.00002 -0.00161 0.00015 -0.00329 -0.04070 150 2PX 0.00005 -0.00421 0.00395 -0.00840 -0.07657 151 2PY 0.00105 0.00241 0.00206 -0.00042 0.01688 152 2PZ -0.00080 -0.00105 -0.00398 0.00292 -0.04087 153 3S 0.00145 -0.00025 -0.00053 -0.00641 -0.02646 154 3PX 0.00090 -0.00101 0.00296 -0.00480 -0.02173 155 3PY 0.00093 0.00043 0.00099 -0.00091 0.00453 156 3PZ -0.00035 0.00057 -0.00301 0.00254 -0.01014 157 4XX -0.00012 -0.00021 0.00022 -0.00019 -0.00396 158 4YY -0.00006 0.00005 -0.00002 0.00030 0.00291 159 4ZZ 0.00014 0.00020 -0.00018 0.00019 0.00102 160 4XY 0.00028 0.00037 0.00004 -0.00019 0.00171 161 4XZ 0.00008 -0.00005 -0.00010 -0.00003 -0.00396 162 4YZ 0.00011 0.00023 0.00011 -0.00006 0.00142 163 15 H 1S -0.00043 0.00071 -0.00034 0.00191 0.01225 164 2S -0.00158 -0.00061 0.00044 0.00278 0.01423 165 16 H 1S 0.00070 0.00106 -0.00002 -0.00024 0.01292 166 2S 0.00142 0.00239 0.00012 0.00097 0.01538 167 17 C 1S 0.00014 0.00036 0.00021 0.00044 -0.00419 168 2S -0.00055 -0.00075 -0.00044 -0.00075 0.00818 169 2PX -0.00008 0.00077 -0.00093 0.00062 -0.00296 170 2PY 0.00032 0.00146 0.00058 0.00190 -0.01299 171 2PZ 0.00060 -0.00042 0.00066 -0.00018 -0.00759 172 3S -0.00082 -0.00168 -0.00241 -0.00015 0.01845 173 3PX -0.00064 0.00015 -0.00011 0.00086 0.00014 174 3PY 0.00020 0.00098 0.00061 0.00086 -0.00903 175 3PZ -0.00039 -0.00060 0.00162 -0.00030 -0.00333 176 4XX -0.00002 -0.00001 0.00004 0.00002 0.00021 177 4YY 0.00005 0.00006 -0.00004 0.00001 0.00007 178 4ZZ 0.00003 0.00010 0.00003 0.00007 -0.00092 179 4XY 0.00008 0.00013 -0.00009 0.00017 -0.00169 180 4XZ 0.00000 0.00001 0.00001 0.00002 -0.00002 181 4YZ 0.00009 0.00016 -0.00006 0.00010 -0.00128 182 18 H 1S 0.00045 0.00082 -0.00016 0.00085 -0.00884 183 2S 0.00128 0.00176 -0.00036 0.00107 -0.01165 184 19 H 1S -0.00051 -0.00055 0.00050 -0.00031 0.00603 185 2S -0.00086 -0.00095 0.00130 -0.00060 0.00621 81 82 83 84 85 81 2S 0.33865 82 2PX -0.00516 0.41330 83 2PY 0.00231 -0.01891 0.38949 84 2PZ -0.00962 0.03498 0.01568 0.37529 85 3S 0.24840 0.03813 0.00701 0.04859 0.25301 86 3PX 0.04618 0.05203 0.04935 -0.05786 0.04482 87 3PY -0.01791 0.04643 0.12747 -0.02342 -0.01844 88 3PZ 0.02286 -0.07258 -0.00919 0.14365 0.03710 89 4XX -0.00502 -0.00794 -0.00338 0.00252 -0.00423 90 4YY -0.00701 0.01057 -0.00713 -0.00031 -0.00390 91 4ZZ -0.00993 0.00441 0.00815 0.00001 -0.00672 92 4XY -0.00326 -0.00178 0.00977 0.00888 -0.00185 93 4XZ 0.00688 -0.00033 0.00851 -0.00199 0.00399 94 4YZ 0.00408 0.00452 0.00066 0.00908 0.00313 95 7 C 1S -0.02863 -0.03181 -0.04080 -0.04920 0.00297 96 2S 0.05116 0.06426 0.08343 0.09782 0.00994 97 2PX -0.06906 -0.04088 -0.08728 -0.14196 -0.10055 98 2PY -0.08426 -0.06167 -0.08697 -0.13888 -0.07760 99 2PZ -0.09505 -0.12413 -0.15805 -0.09287 -0.10917 100 3S 0.02027 0.07065 0.09608 0.13466 0.00440 101 3PX -0.02276 0.03608 -0.03978 -0.03406 -0.01815 102 3PY 0.00747 -0.09338 0.01573 -0.07009 -0.00135 103 3PZ -0.01678 -0.04911 -0.04975 -0.01410 -0.01117 104 4XX -0.00152 -0.01021 -0.00052 -0.00059 -0.00225 105 4YY 0.00032 0.00140 -0.00950 0.00227 0.00139 106 4ZZ 0.00375 0.00465 0.00614 -0.00764 0.00457 107 4XY 0.00654 -0.00075 0.00285 0.00940 0.00923 108 4XZ 0.00594 -0.00201 0.00655 0.00228 0.00442 109 4YZ 0.00866 0.00894 0.00176 0.00463 0.00941 110 8 C 1S 0.00781 0.00963 0.00592 0.01095 0.00359 111 2S -0.01710 -0.02175 -0.01256 -0.02398 -0.02458 112 2PX 0.02764 0.03273 0.01451 0.04131 0.08392 113 2PY -0.00636 -0.01513 -0.00455 -0.00822 -0.01739 114 2PZ 0.01927 0.02705 0.01611 0.01660 0.06174 115 3S -0.01573 -0.08258 -0.01664 -0.08094 -0.04064 116 3PX 0.01431 0.03353 -0.00589 0.04615 0.05839 117 3PY -0.00206 -0.02611 -0.01941 -0.01686 -0.01369 118 3PZ 0.00694 0.03414 0.00926 0.00807 0.03262 119 4XX 0.00103 -0.00024 0.00151 0.00435 0.00127 120 4YY -0.00112 -0.00128 -0.00239 -0.00367 -0.00084 121 4ZZ 0.00105 0.00190 0.00303 0.00157 0.00162 122 4XY 0.00073 0.00188 0.00334 0.00228 0.00326 123 4XZ 0.00314 0.00463 0.00198 0.00370 0.00250 124 4YZ 0.00109 0.00125 -0.00061 0.00200 0.00275 125 9 C 1S 0.00420 0.00422 -0.00380 0.00432 0.00654 126 2S -0.00833 -0.00459 0.00870 -0.01324 -0.01242 127 2PX 0.02799 0.01841 -0.04383 0.01026 0.03236 128 2PY -0.01608 -0.00898 0.00890 -0.02149 -0.00518 129 2PZ 0.00030 0.00313 0.00026 0.00606 0.01782 130 3S -0.01466 -0.01754 0.02214 -0.00209 -0.02536 131 3PX 0.02064 0.01006 -0.04197 0.00782 0.01676 132 3PY -0.00387 -0.00987 -0.00114 -0.00403 0.00273 133 3PZ 0.00017 0.00271 0.00436 -0.00727 0.00620 134 4XX 0.00051 0.00091 0.00020 0.00117 0.00174 135 4YY 0.00062 0.00086 -0.00190 -0.00064 0.00080 136 4ZZ -0.00056 -0.00033 0.00098 -0.00080 -0.00153 137 4XY 0.00009 0.00089 0.00036 -0.00025 0.00147 138 4XZ -0.00052 -0.00012 0.00088 0.00092 -0.00031 139 4YZ 0.00071 0.00103 0.00134 0.00059 0.00102 140 10 H 1S 0.00984 0.01433 -0.01771 -0.00738 0.02228 141 2S 0.01419 0.01598 -0.04080 -0.00522 0.02769 142 11 H 1S -0.02102 -0.00180 0.03480 0.01661 -0.06130 143 2S -0.02597 0.01055 0.06497 0.04224 -0.05208 144 12 H 1S 0.01460 0.01852 0.01555 0.01976 0.04232 145 2S 0.02078 0.03304 0.03314 0.03791 0.04051 146 13 H 1S 0.00020 -0.00088 -0.00281 0.00264 0.00328 147 2S -0.00267 -0.00536 -0.00241 0.00381 -0.00017 148 14 C 1S -0.04205 0.07465 -0.01886 0.03993 0.00102 149 2S 0.07332 -0.14303 0.03667 -0.07824 0.01272 150 2PX 0.15635 -0.15376 0.12462 -0.24305 0.08417 151 2PY -0.03255 0.12423 0.07844 -0.06489 -0.01377 152 2PZ 0.07919 -0.24309 -0.05588 0.11155 0.05976 153 3S 0.06501 -0.20367 0.06102 -0.09828 0.00046 154 3PX 0.05175 -0.05102 0.07665 -0.14138 0.01747 155 3PY -0.00776 0.07448 0.06025 -0.05244 0.00227 156 3PZ 0.02321 -0.14504 -0.04580 0.10331 0.01806 157 4XX 0.00679 0.00322 0.00431 -0.00979 0.00469 158 4YY -0.00678 0.00803 -0.00676 0.00434 -0.00463 159 4ZZ -0.00289 0.00042 -0.00032 0.01133 -0.00050 160 4XY -0.00307 0.00333 0.00999 0.00315 -0.00146 161 4XZ 0.00722 -0.00963 0.00356 0.00347 0.00469 162 4YZ -0.00307 0.00530 0.00524 -0.00053 -0.00308 163 15 H 1S -0.02781 0.03663 -0.02025 0.01136 -0.02404 164 2S -0.03025 0.06009 -0.05882 0.00329 -0.02352 165 16 H 1S -0.02939 0.03341 0.00436 0.02486 -0.03271 166 2S -0.03254 0.04987 0.02867 0.05533 -0.02305 167 17 C 1S 0.00942 0.00308 0.01378 0.00883 0.00865 168 2S -0.01880 -0.00841 -0.03040 -0.01922 -0.01990 169 2PX 0.00442 -0.00579 0.00618 0.00817 0.04178 170 2PY 0.02918 0.00482 0.03880 0.03605 0.04589 171 2PZ 0.01781 0.01502 0.01677 0.00229 0.05750 172 3S -0.03824 0.05444 -0.08929 -0.01082 -0.02710 173 3PX 0.00143 -0.01252 -0.01163 0.00304 0.01023 174 3PY 0.01802 -0.03070 0.03254 0.02300 0.01862 175 3PZ 0.01027 0.00630 0.00729 -0.01785 0.01704 176 4XX -0.00024 -0.00145 -0.00126 -0.00075 -0.00100 177 4YY 0.00003 0.00031 0.00141 0.00243 -0.00085 178 4ZZ 0.00192 0.00216 0.00363 0.00090 0.00330 179 4XY 0.00313 0.00237 0.00444 0.00608 0.00679 180 4XZ 0.00028 -0.00020 0.00024 0.00060 0.00092 181 4YZ 0.00250 0.00385 0.00608 0.00337 0.00494 182 18 H 1S 0.01821 0.01225 0.02831 0.02271 0.05634 183 2S 0.02352 0.02514 0.05596 0.03946 0.06172 184 19 H 1S -0.01181 -0.00999 -0.02238 -0.01423 -0.04009 185 2S -0.01018 -0.01416 -0.02527 -0.03184 -0.04146 86 87 88 89 90 86 3PX 0.05585 87 3PY 0.01601 0.07609 88 3PZ -0.02318 -0.02505 0.08392 89 4XX -0.00246 -0.00269 0.00257 0.00105 90 4YY -0.00198 0.00067 -0.00309 -0.00012 0.00126 91 4ZZ 0.00084 0.00335 -0.00206 -0.00021 0.00008 92 4XY -0.00151 0.00170 0.00249 0.00014 -0.00029 93 4XZ 0.00311 0.00148 -0.00079 -0.00013 -0.00046 94 4YZ -0.00204 0.00023 0.00213 -0.00012 0.00003 95 7 C 1S 0.01022 -0.00526 0.00317 0.00007 -0.00062 96 2S -0.01430 0.02374 0.00503 -0.00118 0.00027 97 2PX 0.02766 -0.05296 -0.04583 0.01027 -0.00114 98 2PY -0.07240 0.02042 -0.06831 0.00072 0.01098 99 2PZ -0.02538 -0.05818 -0.00715 -0.00016 -0.00158 100 3S -0.01664 0.01523 0.01393 -0.00134 -0.00125 101 3PX 0.00465 -0.00627 -0.02303 0.00333 0.00235 102 3PY 0.00585 0.00106 -0.00219 0.00249 -0.00179 103 3PZ -0.00397 -0.01339 0.01500 -0.00195 -0.00171 104 4XX 0.00020 -0.00230 0.00287 0.00031 -0.00039 105 4YY -0.00227 -0.00265 0.00101 0.00018 0.00037 106 4ZZ 0.00491 0.00335 -0.00310 -0.00038 -0.00014 107 4XY -0.00069 0.00029 0.00451 0.00007 -0.00010 108 4XZ 0.00221 0.00060 0.00170 0.00006 -0.00034 109 4YZ 0.00115 0.00222 0.00086 -0.00046 0.00005 110 8 C 1S -0.01449 0.01463 -0.00035 -0.00140 0.00078 111 2S 0.01250 -0.01486 -0.00192 0.00233 -0.00160 112 2PX -0.02685 0.04028 0.01574 -0.00366 0.00551 113 2PY 0.02182 -0.01631 0.00883 0.00198 -0.00189 114 2PZ 0.00998 0.02454 0.00255 -0.00381 0.00186 115 3S 0.02327 -0.02467 0.00167 0.00444 -0.00338 116 3PX -0.02127 0.01643 0.01345 -0.00280 0.00459 117 3PY 0.00498 -0.02596 -0.00461 0.00098 -0.00016 118 3PZ 0.00519 0.01586 -0.00883 -0.00349 0.00106 119 4XX 0.00023 -0.00076 0.00199 -0.00029 -0.00020 120 4YY -0.00190 0.00082 -0.00200 0.00007 0.00022 121 4ZZ 0.00053 0.00118 0.00037 0.00000 0.00008 122 4XY 0.00112 0.00171 0.00124 -0.00028 0.00008 123 4XZ 0.00248 -0.00004 0.00088 0.00022 -0.00015 124 4YZ -0.00022 0.00147 0.00154 -0.00020 0.00003 125 9 C 1S 0.00384 -0.00353 0.00152 0.00024 0.00011 126 2S -0.00936 0.01082 -0.00749 -0.00054 0.00013 127 2PX -0.00218 -0.01020 -0.00161 0.00355 -0.00004 128 2PY 0.00645 0.00384 -0.01231 -0.00094 0.00147 129 2PZ 0.01900 -0.01508 0.00454 0.00001 0.00077 130 3S -0.01720 0.00965 -0.00823 -0.00046 0.00109 131 3PX -0.00503 -0.01218 -0.00021 0.00306 -0.00014 132 3PY -0.00136 -0.00639 -0.00468 -0.00023 0.00130 133 3PZ 0.01064 -0.00413 -0.00095 -0.00004 0.00000 134 4XX -0.00012 0.00014 0.00045 -0.00017 0.00013 135 4YY 0.00093 -0.00183 -0.00075 0.00012 -0.00015 136 4ZZ 0.00061 0.00102 -0.00002 0.00012 0.00005 137 4XY -0.00112 0.00115 -0.00047 -0.00011 0.00019 138 4XZ 0.00067 0.00043 0.00086 -0.00012 0.00004 139 4YZ -0.00027 0.00147 -0.00001 -0.00006 -0.00002 140 10 H 1S 0.00486 -0.01314 -0.00977 0.00084 -0.00096 141 2S 0.00053 -0.02442 -0.00821 0.00109 -0.00066 142 11 H 1S -0.01981 0.02085 -0.00341 -0.00259 0.00440 143 2S -0.01667 0.02693 0.00361 -0.00161 0.00181 144 12 H 1S 0.01127 0.01590 0.01240 -0.00127 0.00087 145 2S 0.01141 0.02390 0.01709 -0.00101 0.00019 146 13 H 1S 0.00679 -0.00571 0.00349 0.00064 0.00015 147 2S 0.00893 -0.00595 0.00617 0.00048 0.00008 148 14 C 1S 0.00155 0.00127 0.00203 -0.00338 0.00297 149 2S -0.00856 -0.00001 -0.00745 0.00564 -0.00667 150 2PX 0.07380 0.02957 -0.05185 -0.00621 -0.00819 151 2PY 0.04237 0.05306 -0.05285 -0.00372 0.00743 152 2PZ -0.04601 -0.06684 0.11091 0.00789 -0.00406 153 3S 0.01293 -0.00719 0.00610 0.00698 -0.01024 154 3PX 0.04971 0.02359 -0.03902 -0.00434 -0.00365 155 3PY 0.03176 0.03227 -0.03880 -0.00357 0.00312 156 3PZ -0.03790 -0.04854 0.07871 0.00629 -0.00285 157 4XX 0.00422 0.00229 -0.00403 -0.00040 -0.00001 158 4YY -0.00203 -0.00105 -0.00045 0.00017 0.00053 159 4ZZ -0.00215 -0.00089 0.00438 0.00003 -0.00008 160 4XY 0.00106 0.00355 -0.00023 -0.00021 -0.00026 161 4XZ -0.00088 -0.00067 0.00359 0.00014 -0.00057 162 4YZ 0.00020 0.00293 -0.00246 0.00001 -0.00004 163 15 H 1S -0.01033 0.00174 -0.00715 0.00309 0.00420 164 2S -0.00857 -0.00827 -0.01187 0.00116 0.00545 165 16 H 1S -0.01777 0.00837 -0.00963 0.00157 -0.00238 166 2S -0.01212 0.01505 0.00141 -0.00032 -0.00136 167 17 C 1S 0.00584 -0.00120 0.00248 0.00040 -0.00182 168 2S -0.01417 0.00372 -0.00477 -0.00056 0.00367 169 2PX -0.01139 0.00826 0.00157 0.00546 0.00152 170 2PY 0.07360 -0.02634 0.04680 0.00425 -0.00744 171 2PZ 0.03407 0.01072 0.01966 -0.00578 -0.00460 172 3S -0.03007 -0.00146 -0.02122 -0.00191 0.00747 173 3PX -0.00985 -0.00651 0.00013 0.00443 0.00091 174 3PY 0.02789 -0.01357 0.02887 0.00314 -0.00443 175 3PZ 0.01941 0.00587 0.00237 -0.00408 -0.00270 176 4XX 0.00191 -0.00202 0.00094 0.00025 -0.00021 177 4YY -0.00183 0.00108 -0.00004 -0.00018 0.00007 178 4ZZ 0.00249 0.00076 0.00079 0.00004 -0.00019 179 4XY 0.00059 0.00218 0.00276 -0.00032 -0.00015 180 4XZ 0.00181 -0.00033 0.00152 -0.00005 -0.00013 181 4YZ 0.00014 0.00316 0.00038 0.00000 0.00015 182 18 H 1S 0.02876 0.00830 0.02529 -0.00002 -0.00226 183 2S 0.02679 0.01924 0.02459 -0.00088 -0.00219 184 19 H 1S 0.01350 -0.02047 0.00237 0.00075 -0.00036 185 2S 0.01654 -0.02336 -0.00526 0.00141 -0.00110 91 92 93 94 95 91 4ZZ 0.00126 92 4XY 0.00025 0.00117 93 4XZ 0.00022 0.00029 0.00076 94 4YZ 0.00009 0.00040 -0.00005 0.00077 95 7 C 1S -0.00237 -0.00339 -0.00330 -0.00436 2.05312 96 2S 0.00354 0.00679 0.00600 0.00812 -0.06415 97 2PX -0.00562 -0.00022 0.00128 -0.00736 0.00481 98 2PY -0.00588 -0.00221 -0.00739 -0.00190 -0.00741 99 2PZ 0.00727 -0.00972 -0.00293 -0.00354 -0.00124 100 3S 0.00540 0.00918 0.00515 0.00903 -0.16018 101 3PX -0.00406 0.00025 -0.00094 -0.00169 -0.00274 102 3PY -0.00296 -0.00055 0.00015 -0.00338 0.03031 103 3PZ 0.00418 -0.00513 -0.00100 -0.00109 0.01189 104 4XX -0.00004 -0.00006 0.00000 -0.00028 -0.01410 105 4YY -0.00045 -0.00007 -0.00029 0.00004 -0.01604 106 4ZZ 0.00018 -0.00030 0.00013 -0.00023 -0.01335 107 4XY -0.00051 0.00030 -0.00008 0.00021 0.00115 108 4XZ -0.00009 0.00024 0.00034 0.00010 -0.00261 109 4YZ 0.00013 -0.00015 0.00014 0.00037 -0.00202 110 8 C 1S -0.00039 -0.00008 -0.00095 0.00042 0.01282 111 2S 0.00081 0.00059 0.00173 -0.00083 -0.02097 112 2PX -0.00380 0.00038 -0.00419 0.00155 0.05306 113 2PY 0.00063 -0.00017 0.00192 -0.00130 -0.03019 114 2PZ -0.00071 -0.00163 -0.00378 0.00192 0.02747 115 3S 0.00096 -0.00064 0.00354 -0.00350 -0.00489 116 3PX -0.00225 0.00090 -0.00215 0.00150 0.01382 117 3PY -0.00098 -0.00024 0.00052 -0.00127 -0.01040 118 3PZ 0.00079 -0.00123 -0.00232 0.00182 0.00683 119 4XX 0.00043 -0.00004 0.00017 0.00011 -0.00295 120 4YY -0.00026 -0.00002 -0.00026 0.00004 0.00066 121 4ZZ -0.00017 0.00015 0.00000 -0.00001 0.00116 122 4XY -0.00008 0.00003 -0.00012 -0.00012 0.00451 123 4XZ -0.00013 0.00024 0.00021 0.00019 -0.00334 124 4YZ 0.00013 -0.00019 -0.00014 0.00009 0.00209 125 9 C 1S -0.00020 -0.00038 0.00025 -0.00003 -0.00302 126 2S 0.00009 0.00084 -0.00068 0.00028 0.00485 127 2PX -0.00225 -0.00044 -0.00069 0.00317 -0.00158 128 2PY -0.00048 -0.00064 -0.00008 -0.00208 0.00913 129 2PZ -0.00054 -0.00095 0.00078 -0.00179 -0.00466 130 3S -0.00032 0.00213 -0.00109 0.00105 0.00757 131 3PX -0.00233 -0.00010 -0.00068 0.00211 -0.00624 132 3PY -0.00160 0.00001 -0.00035 -0.00151 0.00864 133 3PZ -0.00046 -0.00039 0.00052 -0.00145 -0.00399 134 4XX -0.00006 -0.00001 -0.00005 -0.00004 0.00016 135 4YY 0.00001 0.00003 -0.00007 0.00020 -0.00105 136 4ZZ -0.00005 -0.00008 0.00019 -0.00025 -0.00070 137 4XY -0.00012 0.00006 -0.00016 0.00005 0.00125 138 4XZ 0.00001 -0.00002 0.00008 -0.00020 0.00024 139 4YZ 0.00002 0.00003 -0.00011 0.00015 0.00032 140 10 H 1S -0.00035 0.00015 -0.00120 0.00144 -0.00077 141 2S -0.00099 -0.00046 -0.00167 0.00173 0.00044 142 11 H 1S 0.00224 0.00253 -0.00189 0.00564 -0.00628 143 2S 0.00316 0.00499 -0.00050 0.00532 -0.00955 144 12 H 1S -0.00082 0.00004 -0.00124 0.00091 0.00979 145 2S -0.00052 0.00082 -0.00068 0.00139 0.01063 146 13 H 1S -0.00028 -0.00036 0.00080 -0.00091 -0.00400 147 2S 0.00024 -0.00082 0.00147 -0.00170 -0.00352 148 14 C 1S 0.00098 0.00133 -0.00341 0.00159 -0.00421 149 2S -0.00254 -0.00241 0.00628 -0.00343 0.00804 150 2PX -0.00042 -0.00267 0.00678 -0.00515 0.01262 151 2PY 0.00018 -0.01204 -0.00334 -0.00513 0.00522 152 2PZ -0.01265 -0.00228 -0.00576 0.00013 0.00777 153 3S -0.00255 -0.00208 0.00729 -0.00619 0.02016 154 3PX 0.00229 -0.00211 0.00391 -0.00360 0.00992 155 3PY 0.00179 -0.00517 0.00009 -0.00273 0.00017 156 3PZ -0.00725 0.00126 -0.00367 0.00120 0.00308 157 4XX -0.00004 -0.00027 0.00018 -0.00014 0.00030 158 4YY 0.00001 -0.00024 -0.00032 0.00002 0.00028 159 4ZZ 0.00021 0.00055 -0.00005 0.00036 -0.00132 160 4XY 0.00059 0.00086 0.00039 0.00023 -0.00180 161 4XZ -0.00012 0.00040 0.00037 0.00016 -0.00067 162 4YZ 0.00043 0.00023 0.00033 0.00005 -0.00070 163 15 H 1S -0.00277 -0.00781 -0.00275 -0.00258 0.00612 164 2S -0.00222 -0.00749 -0.00410 -0.00145 0.00680 165 16 H 1S 0.00500 0.00667 0.00502 0.00243 -0.00905 166 2S 0.00524 0.00731 0.00354 0.00341 -0.01246 167 17 C 1S 0.00017 0.00002 0.00078 -0.00072 0.02095 168 2S -0.00049 0.00013 -0.00142 0.00138 -0.04064 169 2PX -0.00777 0.00411 -0.00112 -0.00073 -0.01632 170 2PY -0.00271 0.00195 0.00255 -0.00387 0.08535 171 2PZ 0.00863 -0.00578 0.00168 -0.00083 0.01684 172 3S -0.00102 -0.00155 -0.00392 0.00193 -0.02789 173 3PX -0.00586 0.00273 -0.00100 -0.00051 -0.00481 174 3PY -0.00180 0.00291 0.00189 -0.00120 0.02423 175 3PZ 0.00644 -0.00405 0.00152 -0.00026 0.00250 176 4XX -0.00015 -0.00001 0.00005 -0.00021 0.00285 177 4YY 0.00027 0.00007 0.00007 0.00026 -0.00551 178 4ZZ -0.00008 0.00009 0.00011 -0.00012 0.00277 179 4XY 0.00022 -0.00004 0.00000 0.00015 0.00182 180 4XZ 0.00011 -0.00008 0.00002 -0.00004 0.00087 181 4YZ -0.00028 0.00037 0.00005 0.00014 -0.00163 182 18 H 1S -0.00002 0.00032 0.00072 -0.00071 0.01286 183 2S 0.00040 0.00098 0.00097 -0.00016 0.01548 184 19 H 1S 0.00009 -0.00042 0.00018 -0.00067 0.01236 185 2S 0.00004 -0.00152 0.00049 -0.00160 0.01437 96 97 98 99 100 96 2S 0.33484 97 2PX -0.00515 0.37341 98 2PY 0.01441 -0.00899 0.42811 99 2PZ 0.00183 0.02069 0.01579 0.37358 100 3S 0.24534 -0.03609 -0.05513 -0.03202 0.24810 101 3PX 0.00766 0.11426 0.04886 -0.04649 0.00108 102 3PY -0.05313 0.04905 0.04814 -0.00891 -0.07190 103 3PZ -0.01540 -0.05657 -0.02730 0.16398 -0.02329 104 4XX -0.00897 0.00508 -0.00802 0.00365 -0.00587 105 4YY -0.00339 -0.00009 0.00797 -0.00315 -0.00336 106 4ZZ -0.01069 -0.00363 -0.00600 -0.00304 -0.00688 107 4XY -0.00294 -0.00515 -0.00051 -0.01181 -0.00037 108 4XZ 0.00531 0.00308 -0.00695 -0.00383 0.00378 109 4YZ 0.00467 -0.01175 -0.00237 -0.00176 0.00367 110 8 C 1S -0.02517 -0.05548 0.02963 -0.02589 0.01861 111 2S 0.04099 0.10992 -0.05959 0.05032 -0.00736 112 2PX -0.10521 -0.16653 0.12553 -0.13781 -0.09356 113 2PY 0.06403 0.12515 -0.06159 0.06648 0.03692 114 2PZ -0.05995 -0.12796 0.04929 -0.01736 -0.04989 115 3S 0.01537 0.16380 -0.07872 0.07797 -0.07180 116 3PX -0.03206 -0.09906 0.08197 -0.08338 -0.02566 117 3PY 0.02401 0.07966 -0.00696 0.03467 0.01791 118 3PZ -0.01700 -0.08623 0.02468 0.00958 0.00840 119 4XX 0.00486 -0.00496 -0.00697 0.00698 0.00574 120 4YY -0.00151 -0.00095 0.01134 -0.00157 -0.00251 121 4ZZ -0.00256 -0.00053 0.00011 -0.00782 -0.00122 122 4XY -0.00878 -0.00649 -0.00160 -0.00753 -0.00715 123 4XZ 0.00649 0.00705 -0.00695 -0.00388 0.00461 124 4YZ -0.00390 -0.00750 -0.00122 0.00217 -0.00451 125 9 C 1S 0.00556 0.00526 -0.00894 0.00562 0.00951 126 2S -0.01238 -0.01001 0.02531 -0.01757 -0.01614 127 2PX 0.01017 -0.00189 0.00432 0.00081 0.02147 128 2PY -0.02656 -0.02298 0.03083 -0.01426 -0.03474 129 2PZ 0.00673 0.01700 -0.01385 0.00511 0.03092 130 3S -0.00812 -0.00849 0.03719 -0.03401 0.00549 131 3PX 0.01551 0.01973 0.00989 0.00034 0.01424 132 3PY -0.01921 -0.00216 0.03334 -0.02603 -0.01771 133 3PZ 0.00055 0.01556 -0.00075 -0.00655 0.00199 134 4XX -0.00082 -0.00268 0.00198 -0.00205 -0.00065 135 4YY 0.00168 0.00293 -0.00319 0.00257 0.00136 136 4ZZ 0.00128 0.00320 0.00025 0.00009 0.00121 137 4XY -0.00282 -0.00378 0.00546 -0.00454 -0.00363 138 4XZ -0.00017 0.00061 -0.00101 -0.00020 -0.00061 139 4YZ -0.00077 -0.00311 0.00135 -0.00092 -0.00076 140 10 H 1S 0.00019 0.00051 -0.00203 0.00249 0.00954 141 2S -0.00404 -0.00140 0.00512 0.00770 0.00396 142 11 H 1S 0.01363 -0.01413 -0.01993 -0.02005 0.04273 143 2S 0.02154 -0.02388 -0.03967 -0.04685 0.04638 144 12 H 1S -0.02083 -0.02760 -0.00099 -0.02291 -0.03974 145 2S -0.02250 -0.04434 -0.01745 -0.04957 -0.03042 146 13 H 1S 0.00929 0.01982 -0.00982 0.00552 0.02145 147 2S 0.01044 0.02111 -0.02065 0.01905 0.01928 148 14 C 1S 0.00917 -0.01238 -0.00471 -0.01022 0.01219 149 2S -0.01782 0.02743 0.01102 0.02264 -0.02763 150 2PX -0.02722 0.02162 0.01094 0.03717 -0.06339 151 2PY -0.01005 -0.00155 0.00120 0.00662 -0.05617 152 2PZ -0.01778 0.03516 0.01363 0.01281 -0.04637 153 3S -0.04000 0.08592 -0.04179 0.04614 -0.05028 154 3PX -0.01913 0.01644 -0.01926 0.03873 -0.03582 155 3PY -0.00414 -0.01302 -0.00891 -0.00135 -0.01875 156 3PZ -0.00876 0.03080 -0.00410 -0.00518 -0.01054 157 4XX -0.00037 0.00053 0.00024 -0.00196 -0.00216 158 4YY -0.00030 0.00124 0.00165 0.00104 -0.00017 159 4ZZ 0.00255 -0.00471 -0.00372 -0.00164 0.00509 160 4XY 0.00336 -0.00382 -0.00383 -0.00631 0.00652 161 4XZ 0.00134 -0.00341 -0.00290 -0.00251 0.00244 162 4YZ 0.00152 -0.00198 -0.00168 -0.00255 0.00328 163 15 H 1S -0.01212 0.01867 0.01198 0.01616 -0.03500 164 2S -0.01170 0.01546 0.02061 0.03317 -0.03484 165 16 H 1S 0.01860 -0.02415 -0.01684 -0.02428 0.05786 166 2S 0.02469 -0.04708 -0.03202 -0.04330 0.06516 167 17 C 1S -0.04212 0.01818 -0.08288 -0.01665 -0.00008 168 2S 0.07434 -0.03212 0.16224 0.02866 0.01191 169 2PX 0.03454 0.12478 0.12121 -0.11453 0.00642 170 2PY -0.17370 0.11464 -0.25996 -0.12346 -0.10219 171 2PZ -0.03387 -0.10780 -0.13128 0.17013 -0.02489 172 3S 0.06715 -0.05549 0.20427 0.03105 0.01467 173 3PX 0.01022 0.09806 0.06663 -0.08105 -0.00163 174 3PY -0.05637 0.06687 -0.10691 -0.06711 -0.02958 175 3PZ -0.00788 -0.07183 -0.07871 0.12705 -0.00867 176 4XX -0.00636 0.00699 -0.00812 -0.00234 -0.00441 177 4YY 0.00964 -0.00494 0.00347 0.00503 0.00709 178 4ZZ -0.00598 0.00199 -0.00770 -0.00664 -0.00342 179 4XY -0.00345 -0.01134 -0.00535 -0.00110 -0.00103 180 4XZ -0.00226 -0.00171 -0.00336 0.00170 -0.00261 181 4YZ 0.00322 -0.00122 0.00587 -0.01180 0.00204 182 18 H 1S -0.02875 -0.00078 -0.03731 -0.01918 -0.03211 183 2S -0.03241 -0.02478 -0.05982 -0.04661 -0.02086 184 19 H 1S -0.02906 0.01891 -0.03792 0.00056 -0.02494 185 2S -0.03203 0.05341 -0.06038 0.02097 -0.02565 101 102 103 104 105 101 3PX 0.06668 102 3PY 0.00442 0.06275 103 3PZ -0.04278 -0.00665 0.09798 104 4XX -0.00162 0.00296 0.00247 0.00119 105 4YY 0.00213 0.00101 -0.00203 -0.00021 0.00100 106 4ZZ -0.00175 0.00091 0.00031 0.00024 -0.00013 107 4XY 0.00047 0.00010 -0.00443 -0.00022 0.00019 108 4XZ 0.00036 0.00025 -0.00193 0.00008 -0.00024 109 4YZ -0.00328 -0.00236 0.00237 -0.00031 -0.00006 110 8 C 1S 0.00870 -0.01863 -0.00009 -0.00358 0.00084 111 2S 0.00796 0.01351 0.00745 0.00606 -0.00148 112 2PX -0.02920 0.02539 -0.01817 0.00384 0.00154 113 2PY 0.01941 -0.01035 0.01504 0.00722 -0.01026 114 2PZ -0.01670 -0.01957 -0.00674 -0.00589 0.00113 115 3S -0.01386 0.07580 0.03306 0.01331 -0.00213 116 3PX -0.00787 0.00222 -0.00890 0.00127 0.00179 117 3PY 0.01717 -0.01025 -0.01083 0.00199 -0.00407 118 3PZ -0.00213 -0.03827 0.00507 -0.00507 -0.00046 119 4XX -0.00309 -0.00360 0.00483 0.00006 -0.00037 120 4YY 0.00194 0.00165 -0.00205 -0.00048 0.00047 121 4ZZ 0.00027 0.00081 -0.00307 0.00027 -0.00018 122 4XY -0.00186 0.00008 -0.00247 0.00004 0.00008 123 4XZ 0.00284 -0.00127 -0.00338 -0.00007 -0.00019 124 4YZ -0.00344 0.00003 0.00325 0.00030 -0.00021 125 9 C 1S 0.00350 -0.00990 0.00683 0.00076 -0.00143 126 2S -0.00045 0.01107 -0.01420 -0.00219 0.00288 127 2PX 0.01708 0.00982 0.00969 0.00091 0.00220 128 2PY 0.00241 0.00524 -0.01565 -0.00545 0.00675 129 2PZ 0.01647 -0.01201 0.00562 0.00093 -0.00286 130 3S 0.00414 0.00242 -0.03145 -0.00348 0.00274 131 3PX 0.01775 0.00662 -0.00158 0.00019 0.00166 132 3PY 0.00799 0.00053 -0.02574 -0.00341 0.00324 133 3PZ 0.00809 -0.00021 -0.00390 0.00031 -0.00093 134 4XX -0.00041 -0.00081 -0.00027 0.00001 -0.00005 135 4YY 0.00050 -0.00110 -0.00021 -0.00004 0.00004 136 4ZZ 0.00165 0.00089 0.00042 0.00019 -0.00024 137 4XY -0.00073 0.00113 -0.00177 -0.00006 0.00023 138 4XZ 0.00028 -0.00049 -0.00005 -0.00001 -0.00011 139 4YZ -0.00074 -0.00038 -0.00030 -0.00006 -0.00014 140 10 H 1S 0.00458 -0.00529 0.00051 -0.00087 0.00108 141 2S 0.00443 -0.00523 0.00055 -0.00158 0.00246 142 11 H 1S -0.01756 -0.01249 -0.01894 0.00070 -0.00167 143 2S -0.02266 -0.01125 -0.02766 0.00050 -0.00159 144 12 H 1S -0.00979 0.00057 -0.00542 0.00329 -0.00317 145 2S -0.01354 0.00083 -0.01403 0.00128 -0.00208 146 13 H 1S 0.01202 0.00031 0.00621 0.00145 -0.00184 147 2S 0.00834 -0.00081 0.01549 0.00218 -0.00243 148 14 C 1S 0.00188 -0.00929 -0.00107 -0.00141 0.00073 149 2S -0.00409 0.02098 0.00287 0.00275 -0.00139 150 2PX -0.03278 0.08808 0.02758 0.00342 -0.00607 151 2PY 0.00701 -0.00737 0.01148 -0.00149 -0.00294 152 2PZ 0.00001 0.05755 0.00621 0.00631 0.00315 153 3S -0.00210 0.04570 0.01299 0.00611 -0.00310 154 3PX -0.02144 0.03906 0.02430 0.00222 -0.00434 155 3PY -0.00280 -0.00758 0.00524 -0.00122 -0.00245 156 3PZ 0.00599 0.02597 -0.00692 0.00396 0.00259 157 4XX 0.00005 0.00169 -0.00048 -0.00012 -0.00018 158 4YY 0.00191 -0.00316 -0.00037 -0.00015 0.00023 159 4ZZ -0.00143 -0.00212 0.00001 -0.00001 0.00006 160 4XY -0.00127 -0.00110 -0.00232 -0.00014 -0.00022 161 4XZ -0.00205 0.00099 -0.00040 0.00016 -0.00006 162 4YZ -0.00019 -0.00253 -0.00132 -0.00016 -0.00014 163 15 H 1S 0.01661 -0.01715 0.00265 -0.00008 0.00080 164 2S 0.01423 -0.01693 0.01085 -0.00048 0.00153 165 16 H 1S -0.00201 -0.03608 -0.01665 -0.00181 0.00020 166 2S -0.00992 -0.03578 -0.01887 -0.00185 -0.00029 167 17 C 1S -0.00236 -0.00569 -0.00300 0.00277 -0.00472 168 2S 0.00358 0.02139 0.00617 -0.00598 0.00842 169 2PX 0.07967 0.03413 -0.08318 -0.00688 0.00511 170 2PY 0.01452 0.03145 -0.04581 0.00839 0.00131 171 2PZ -0.07794 -0.01602 0.12295 0.00091 -0.00422 172 3S 0.01757 -0.01263 0.00207 -0.00900 0.00966 173 3PX 0.05503 0.02061 -0.06468 -0.00323 0.00350 174 3PY 0.00931 0.02619 -0.03010 0.00391 0.00091 175 3PZ -0.05768 -0.00989 0.08492 0.00157 -0.00363 176 4XX 0.00106 0.00136 -0.00139 0.00050 -0.00003 177 4YY -0.00161 -0.00235 0.00237 -0.00027 -0.00017 178 4ZZ 0.00042 0.00091 -0.00222 0.00018 -0.00006 179 4XY -0.00403 -0.00113 0.00266 -0.00015 -0.00005 180 4XZ -0.00157 0.00096 0.00179 0.00006 0.00023 181 4YZ 0.00226 0.00108 -0.00532 -0.00049 0.00031 182 18 H 1S -0.00385 0.02052 0.00463 -0.00202 0.00362 183 2S -0.00885 0.00814 -0.00318 -0.00126 0.00119 184 19 H 1S -0.00432 0.00694 -0.00236 0.00373 0.00208 185 2S 0.00198 0.00454 0.00184 0.00463 -0.00050 106 107 108 109 110 106 4ZZ 0.00113 107 4XY 0.00021 0.00121 108 4XZ 0.00010 0.00019 0.00062 109 4YZ 0.00020 0.00034 -0.00013 0.00116 110 8 C 1S 0.00081 0.00400 -0.00295 0.00274 2.05531 111 2S -0.00151 -0.00746 0.00550 -0.00571 -0.05362 112 2PX 0.00332 0.00664 -0.00410 0.00855 -0.00042 113 2PY -0.00036 -0.00017 0.00552 0.00002 -0.00400 114 2PZ 0.00822 0.00782 0.00473 -0.00188 -0.00213 115 3S -0.00279 -0.01399 0.00456 -0.00579 -0.25335 116 3PX -0.00011 0.00344 -0.00258 0.00534 0.00528 117 3PY -0.00035 0.00135 0.00285 -0.00236 0.01430 118 3PZ 0.00454 0.00421 0.00213 -0.00069 0.02746 119 4XX -0.00010 -0.00010 0.00003 0.00029 -0.01500 120 4YY 0.00001 0.00021 -0.00012 -0.00017 -0.01577 121 4ZZ 0.00009 0.00023 -0.00007 0.00020 -0.01602 122 4XY 0.00048 0.00042 0.00013 -0.00016 -0.00106 123 4XZ 0.00011 0.00024 0.00066 -0.00015 -0.00213 124 4YZ 0.00033 0.00012 0.00006 0.00036 -0.00130 125 9 C 1S -0.00043 0.00001 0.00017 0.00101 0.01294 126 2S 0.00043 0.00005 -0.00014 -0.00242 -0.02558 127 2PX -0.00034 -0.00128 -0.00101 0.00362 -0.01921 128 2PY 0.00064 -0.00235 0.00063 -0.00656 -0.06149 129 2PZ -0.00020 0.00033 -0.00011 0.00064 0.02046 130 3S 0.00015 0.00262 -0.00046 -0.00247 0.02907 131 3PX -0.00082 -0.00005 -0.00024 0.00182 -0.00664 132 3PY 0.00026 0.00167 0.00038 -0.00354 0.00167 133 3PZ -0.00014 -0.00033 0.00014 -0.00066 -0.00994 134 4XX -0.00001 0.00014 -0.00007 0.00014 0.00115 135 4YY 0.00005 -0.00017 0.00028 -0.00029 -0.00533 136 4ZZ -0.00006 -0.00003 -0.00011 0.00020 0.00256 137 4XY 0.00007 0.00014 -0.00007 0.00003 -0.00210 138 4XZ 0.00003 0.00013 0.00007 -0.00008 0.00136 139 4YZ 0.00023 0.00032 0.00011 0.00014 0.00256 140 10 H 1S -0.00002 -0.00076 -0.00029 0.00001 -0.00817 141 2S -0.00048 -0.00089 -0.00060 -0.00029 -0.01384 142 11 H 1S 0.00022 0.00047 0.00089 -0.00075 -0.00157 143 2S 0.00020 0.00102 0.00093 0.00013 0.00016 144 12 H 1S 0.00434 0.00319 0.00512 0.00011 -0.05774 145 2S 0.00443 0.00484 0.00367 0.00182 -0.01541 146 13 H 1S -0.00055 -0.00017 -0.00061 0.00127 0.01237 147 2S -0.00068 -0.00079 -0.00063 0.00159 0.01736 148 14 C 1S -0.00052 -0.00015 -0.00100 0.00073 0.00164 149 2S 0.00104 0.00024 0.00194 -0.00138 -0.00392 150 2PX 0.00746 -0.00335 0.00379 -0.00046 -0.00672 151 2PY 0.00537 -0.00326 -0.00034 0.00267 -0.00026 152 2PZ -0.00651 0.00663 0.00358 -0.00425 -0.00388 153 3S 0.00163 -0.00082 0.00364 -0.00439 -0.01704 154 3PX 0.00487 -0.00414 0.00154 -0.00047 -0.00730 155 3PY 0.00399 -0.00201 -0.00011 0.00192 0.00057 156 3PZ -0.00533 0.00457 0.00211 -0.00381 -0.00431 157 4XX 0.00044 -0.00009 0.00012 0.00017 0.00013 158 4YY -0.00019 -0.00009 -0.00023 -0.00001 -0.00006 159 4ZZ -0.00027 0.00023 -0.00001 0.00007 0.00026 160 4XY 0.00010 0.00007 0.00009 0.00005 0.00026 161 4XZ -0.00008 0.00032 0.00023 0.00003 0.00030 162 4YZ 0.00015 -0.00009 -0.00003 0.00010 0.00019 163 15 H 1S -0.00010 -0.00058 -0.00073 0.00026 -0.00116 164 2S -0.00055 -0.00194 -0.00168 0.00051 -0.00148 165 16 H 1S -0.00061 0.00009 -0.00101 0.00061 0.00313 166 2S -0.00034 0.00089 -0.00053 0.00112 0.00469 167 17 C 1S 0.00259 0.00166 0.00117 -0.00149 -0.00419 168 2S -0.00575 -0.00306 -0.00273 0.00263 0.00749 169 2PX -0.00147 0.01285 0.00161 0.00185 0.00836 170 2PY 0.00713 0.00426 0.00415 -0.00391 -0.01116 171 2PZ 0.00676 0.00128 -0.00232 0.01266 0.00528 172 3S -0.00620 -0.00254 -0.00499 0.00277 0.02361 173 3PX -0.00154 0.00671 0.00159 -0.00207 0.00109 174 3PY 0.00175 0.00230 0.00267 -0.00257 -0.00898 175 3PZ 0.00351 -0.00249 -0.00183 0.00720 -0.00224 176 4XX 0.00014 -0.00012 0.00013 -0.00038 -0.00123 177 4YY -0.00028 -0.00016 0.00001 0.00024 -0.00007 178 4ZZ 0.00041 0.00036 0.00012 0.00006 0.00006 179 4XY 0.00044 0.00063 -0.00010 0.00076 0.00200 180 4XZ 0.00009 -0.00009 -0.00001 0.00015 0.00013 181 4YZ 0.00002 0.00073 0.00006 0.00042 0.00148 182 18 H 1S 0.00291 0.00617 0.00002 0.00647 0.00763 183 2S 0.00409 0.00685 0.00082 0.00585 0.00847 184 19 H 1S -0.00159 -0.00724 0.00026 -0.00549 -0.00992 185 2S -0.00041 -0.00659 0.00107 -0.00590 -0.01444 111 112 113 114 115 111 2S 0.30506 112 2PX -0.00955 0.38267 113 2PY 0.00542 0.00791 0.40807 114 2PZ 0.01763 0.02629 0.00145 0.38716 115 3S 0.35852 0.03841 0.01610 -0.13638 0.62753 116 3PX 0.00125 0.22306 -0.01119 -0.00976 0.03238 117 3PY -0.01144 -0.03563 0.18702 0.03736 -0.06501 118 3PZ -0.01973 -0.01407 0.00435 0.22345 -0.16134 119 4XX -0.00536 -0.00307 0.00733 -0.00435 -0.00539 120 4YY -0.00306 -0.00131 -0.01078 0.00762 -0.00701 121 4ZZ -0.00308 0.01005 0.00609 -0.00332 0.00074 122 4XY 0.00257 0.00734 -0.00258 0.01233 0.00010 123 4XZ 0.00488 -0.00667 0.01162 0.01038 0.00068 124 4YZ 0.00276 0.01180 0.00837 0.00705 0.00482 125 9 C 1S -0.02268 0.01593 0.06484 -0.02042 -0.00330 126 2S 0.04297 -0.03140 -0.13252 0.04387 0.00977 127 2PX 0.04166 0.03543 -0.09062 -0.00298 0.02989 128 2PY 0.12743 -0.08342 -0.27020 0.10165 0.10685 129 2PZ -0.03913 -0.00319 0.07728 -0.00127 -0.05501 130 3S -0.01551 -0.04961 -0.12214 0.04344 -0.09631 131 3PX 0.01378 0.00588 -0.03128 0.00146 -0.00210 132 3PY 0.01648 -0.03922 -0.08727 0.06746 -0.02740 133 3PZ 0.00058 -0.00269 0.02587 -0.00214 0.00873 134 4XX -0.00288 0.00574 0.00466 -0.00141 -0.00116 135 4YY 0.00995 -0.00554 -0.00251 0.00769 0.00821 136 4ZZ -0.00537 0.00140 0.00719 -0.00647 -0.00578 137 4XY 0.00342 0.00833 -0.00514 0.00286 0.00525 138 4XZ -0.00266 -0.00167 0.00497 0.00169 -0.00443 139 4YZ -0.00455 0.00328 0.00809 0.00713 -0.00765 140 10 H 1S 0.01913 -0.00992 -0.03733 0.00911 0.03334 141 2S 0.02691 -0.01747 -0.06576 0.01564 0.04027 142 11 H 1S 0.00576 -0.00409 -0.00425 -0.00165 -0.00093 143 2S 0.00506 0.00377 -0.01537 -0.01381 0.01135 144 12 H 1S 0.11311 0.12694 0.14684 0.18436 0.09149 145 2S 0.03354 0.09616 0.10974 0.14591 0.01125 146 13 H 1S -0.02788 0.00179 0.03941 -0.02939 -0.03902 147 2S -0.03231 0.00396 0.06345 -0.04847 -0.03030 148 14 C 1S -0.00417 0.00796 -0.00336 0.00529 -0.01129 149 2S 0.00793 -0.01716 0.00752 -0.01131 0.02705 150 2PX 0.01230 -0.02856 0.01486 -0.01634 0.08056 151 2PY -0.00118 0.00138 -0.00021 0.00030 0.00921 152 2PZ 0.00951 -0.01209 0.00523 -0.00828 0.03031 153 3S 0.02849 -0.07123 0.03590 -0.03311 0.07244 154 3PX 0.01248 -0.03119 0.01841 -0.01841 0.05754 155 3PY -0.00469 0.00248 0.00016 0.00310 -0.00329 156 3PZ 0.00771 -0.01498 0.00603 -0.00253 0.01003 157 4XX -0.00023 -0.00016 -0.00016 0.00070 0.00062 158 4YY -0.00001 0.00043 -0.00031 -0.00003 -0.00169 159 4ZZ -0.00081 0.00129 -0.00015 0.00074 -0.00286 160 4XY -0.00077 0.00106 -0.00010 0.00092 -0.00228 161 4XZ -0.00051 0.00087 -0.00004 0.00059 -0.00054 162 4YZ -0.00044 0.00053 -0.00027 0.00061 -0.00185 163 15 H 1S 0.00254 -0.00270 -0.00034 -0.00298 -0.00094 164 2S 0.00410 -0.00128 -0.00173 -0.00563 0.00675 165 16 H 1S -0.00621 0.01019 -0.00365 0.00698 -0.03127 166 2S -0.01063 0.02001 -0.00460 0.01556 -0.03831 167 17 C 1S 0.01007 -0.00979 0.01405 -0.00148 0.01084 168 2S -0.01953 0.02338 -0.03267 -0.00273 -0.01470 169 2PX -0.01656 0.00715 -0.03008 0.01045 -0.07294 170 2PY 0.02790 -0.03836 0.02603 -0.01156 0.05397 171 2PZ -0.01587 0.00626 -0.00014 -0.01784 -0.00218 172 3S -0.03860 0.03511 -0.05998 0.02831 -0.08619 173 3PX -0.00328 -0.01708 -0.01027 0.01670 -0.04255 174 3PY 0.01580 -0.02754 0.01124 -0.02011 0.03771 175 3PZ -0.00432 -0.00154 0.01205 -0.03026 0.02763 176 4XX 0.00249 -0.00214 0.00341 -0.00245 0.00557 177 4YY -0.00018 -0.00167 0.00122 -0.00015 -0.00132 178 4ZZ -0.00004 0.00158 -0.00101 -0.00002 0.00081 179 4XY -0.00383 0.00621 -0.00594 0.00311 -0.00586 180 4XZ -0.00001 0.00002 0.00025 0.00066 0.00126 181 4YZ -0.00290 0.00622 -0.00430 0.00090 -0.00543 182 18 H 1S -0.01708 0.01941 -0.02447 0.00124 -0.02525 183 2S -0.01597 0.03551 -0.02210 0.01780 -0.03208 184 19 H 1S 0.02107 -0.02776 0.02653 -0.00991 0.05488 185 2S 0.02971 -0.05313 0.05205 -0.01315 0.05977 116 117 118 119 120 116 3PX 0.15173 117 3PY -0.03328 0.12653 118 3PZ -0.01664 0.03326 0.16122 119 4XX -0.00085 0.00291 0.00016 0.00107 120 4YY -0.00099 -0.00243 0.00423 -0.00042 0.00124 121 4ZZ 0.00520 0.00136 -0.00288 0.00010 -0.00031 122 4XY 0.00350 -0.00057 0.00531 -0.00022 0.00007 123 4XZ -0.00476 0.00653 0.00524 -0.00022 0.00009 124 4YZ 0.00550 0.00148 0.00289 0.00011 -0.00024 125 9 C 1S 0.00856 0.01538 0.00008 0.00228 -0.00588 126 2S -0.01678 -0.03938 0.00663 -0.00514 0.01073 127 2PX 0.01709 -0.04385 0.00106 -0.00667 0.00561 128 2PY -0.03404 -0.11721 0.05156 -0.00637 0.00351 129 2PZ 0.00802 0.03061 0.00497 0.00267 -0.00768 130 3S -0.03146 -0.01017 0.02158 -0.00417 0.01060 131 3PX -0.00252 -0.00688 0.00163 -0.00437 0.00492 132 3PY -0.02112 -0.01553 0.03894 -0.00243 0.00210 133 3PZ 0.00314 0.00589 -0.00518 0.00070 -0.00319 134 4XX 0.00410 0.00078 -0.00022 0.00032 -0.00055 135 4YY -0.00356 -0.00043 0.00496 -0.00021 0.00005 136 4ZZ 0.00052 0.00347 -0.00351 0.00007 -0.00009 137 4XY 0.00504 -0.00311 0.00013 -0.00026 0.00018 138 4XZ -0.00065 0.00307 0.00073 0.00018 -0.00004 139 4YZ 0.00024 0.00445 0.00475 0.00008 0.00018 140 10 H 1S -0.00288 -0.02847 0.01494 -0.00055 -0.00108 141 2S -0.00530 -0.03852 0.01437 -0.00130 -0.00033 142 11 H 1S -0.00277 0.00385 0.00156 0.00000 0.00019 143 2S -0.00224 -0.00956 -0.01415 -0.00055 -0.00001 144 12 H 1S 0.05772 0.06275 0.08384 -0.00212 -0.00167 145 2S 0.03519 0.04426 0.06272 -0.00170 -0.00081 146 13 H 1S 0.00526 0.02036 -0.01964 0.00032 -0.00072 147 2S 0.00706 0.02597 -0.02608 0.00188 -0.00319 148 14 C 1S 0.00646 -0.00551 0.00347 0.00018 -0.00027 149 2S -0.01562 0.01044 -0.00922 -0.00045 0.00044 150 2PX -0.04011 0.01094 -0.01648 0.00046 -0.00050 151 2PY -0.00409 -0.00319 0.00460 0.00013 -0.00047 152 2PZ -0.01328 0.02056 -0.02435 -0.00135 0.00188 153 3S -0.05411 0.02313 -0.02765 0.00001 -0.00142 154 3PX -0.03138 0.00619 -0.01312 0.00108 -0.00160 155 3PY 0.00038 0.00003 0.00773 0.00085 -0.00095 156 3PZ -0.01070 0.01457 -0.01271 -0.00107 0.00093 157 4XX -0.00084 0.00005 0.00059 -0.00005 0.00003 158 4YY 0.00108 -0.00003 0.00031 -0.00006 0.00005 159 4ZZ 0.00137 -0.00066 0.00054 0.00016 -0.00011 160 4XY 0.00063 -0.00106 0.00078 0.00009 -0.00015 161 4XZ 0.00043 0.00002 0.00000 0.00009 -0.00007 162 4YZ 0.00048 -0.00077 0.00097 0.00004 -0.00006 163 15 H 1S 0.00086 0.00372 -0.00010 -0.00064 0.00057 164 2S 0.00196 0.00136 -0.00178 -0.00060 0.00074 165 16 H 1S 0.01352 -0.00847 0.01088 0.00053 -0.00068 166 2S 0.01815 -0.01027 0.01464 0.00097 -0.00120 167 17 C 1S -0.00717 0.00614 0.00158 0.00035 -0.00157 168 2S 0.01672 -0.01480 -0.00776 -0.00088 0.00330 169 2PX 0.01351 0.00650 -0.00485 -0.00623 0.00681 170 2PY -0.04952 0.01137 -0.02949 -0.00214 -0.00542 171 2PZ -0.00173 -0.02793 -0.00176 0.00707 -0.00403 172 3S 0.03291 -0.01526 0.02808 -0.00087 0.00503 173 3PX -0.00921 0.01772 0.00253 -0.00446 0.00431 174 3PY -0.02809 0.00498 -0.02680 -0.00144 -0.00209 175 3PZ -0.00645 -0.01552 -0.01400 0.00479 -0.00332 176 4XX -0.00217 0.00158 -0.00245 -0.00009 -0.00026 177 4YY 0.00004 0.00011 0.00096 0.00027 -0.00001 178 4ZZ 0.00033 -0.00107 -0.00095 -0.00014 -0.00012 179 4XY 0.00358 -0.00415 0.00185 0.00016 -0.00001 180 4XZ -0.00082 -0.00048 -0.00026 0.00008 -0.00013 181 4YZ 0.00431 -0.00216 -0.00026 -0.00028 0.00028 182 18 H 1S 0.00505 -0.01807 -0.00984 -0.00029 0.00022 183 2S 0.01644 -0.01887 0.00324 0.00001 -0.00042 184 19 H 1S -0.02694 0.01347 -0.01088 0.00013 -0.00259 185 2S -0.04304 0.02923 -0.00988 0.00037 -0.00279 121 122 123 124 125 121 4ZZ 0.00087 122 4XY 0.00014 0.00117 123 4XZ -0.00014 0.00007 0.00142 124 4YZ 0.00015 0.00040 0.00023 0.00114 125 9 C 1S 0.00187 -0.00240 0.00082 0.00310 2.05347 126 2S -0.00426 0.00462 -0.00159 -0.00570 -0.06323 127 2PX -0.00145 -0.00985 0.00330 -0.00201 0.00273 128 2PY -0.00544 0.00577 -0.00382 -0.00628 0.00569 129 2PZ 0.00787 -0.00294 -0.00270 -0.00807 -0.00109 130 3S -0.00386 0.00257 -0.00144 -0.00765 -0.16671 131 3PX -0.00174 -0.00624 0.00409 -0.00079 -0.00285 132 3PY -0.00166 0.00388 -0.00088 -0.00341 -0.00339 133 3PZ 0.00335 0.00088 -0.00164 -0.00324 -0.00349 134 4XX 0.00036 0.00019 -0.00026 0.00027 -0.01242 135 4YY -0.00031 0.00003 0.00047 0.00006 -0.01583 136 4ZZ 0.00033 -0.00045 0.00002 -0.00023 -0.01960 137 4XY 0.00008 0.00047 -0.00022 0.00026 -0.00134 138 4XZ 0.00007 0.00032 0.00007 -0.00010 -0.00300 139 4YZ -0.00008 0.00019 0.00049 0.00068 0.00208 140 10 H 1S 0.00004 -0.00155 -0.00076 -0.00148 0.01328 141 2S -0.00075 -0.00143 -0.00122 -0.00204 0.01589 142 11 H 1S 0.00053 0.00012 -0.00027 -0.00011 -0.00818 143 2S 0.00088 0.00078 0.00027 0.00042 -0.01081 144 12 H 1S 0.00294 0.00834 0.00910 0.01130 0.00907 145 2S 0.00276 0.00690 0.00769 0.00902 0.00697 146 13 H 1S 0.00380 -0.00319 -0.00134 -0.00616 -0.06246 147 2S 0.00378 -0.00402 -0.00112 -0.00392 -0.01559 148 14 C 1S 0.00017 0.00040 0.00054 0.00032 0.00022 149 2S -0.00051 -0.00091 -0.00090 -0.00071 -0.00036 150 2PX -0.00035 -0.00057 -0.00265 -0.00083 -0.00076 151 2PY 0.00013 0.00038 -0.00095 0.00047 0.00000 152 2PZ -0.00081 -0.00149 0.00074 -0.00120 -0.00210 153 3S -0.00076 -0.00118 0.00013 -0.00208 0.00180 154 3PX -0.00026 -0.00021 -0.00150 -0.00027 0.00047 155 3PY 0.00037 0.00074 -0.00094 0.00009 0.00174 156 3PZ -0.00023 -0.00069 0.00143 -0.00119 -0.00049 157 4XX 0.00002 0.00004 0.00000 -0.00002 -0.00011 158 4YY -0.00002 -0.00003 0.00003 0.00002 0.00002 159 4ZZ 0.00005 0.00008 0.00007 0.00008 0.00013 160 4XY 0.00014 0.00018 0.00011 0.00001 0.00003 161 4XZ 0.00005 0.00008 0.00002 0.00002 0.00004 162 4YZ 0.00005 0.00008 0.00004 0.00003 -0.00001 163 15 H 1S -0.00044 -0.00058 -0.00006 0.00004 -0.00015 164 2S -0.00080 -0.00107 -0.00028 0.00048 -0.00061 165 16 H 1S 0.00056 0.00083 0.00057 0.00042 0.00084 166 2S 0.00112 0.00174 0.00082 0.00078 0.00083 167 17 C 1S 0.00064 0.00113 0.00116 0.00046 0.00152 168 2S -0.00109 -0.00237 -0.00236 -0.00091 -0.00345 169 2PX 0.00045 -0.00118 0.00271 -0.00497 -0.00861 170 2PY 0.00314 0.00644 0.00535 -0.00023 0.00119 171 2PZ -0.00218 -0.00201 -0.00472 0.00514 0.00674 172 3S -0.00170 -0.00129 -0.00350 -0.00126 -0.00175 173 3PX 0.00010 0.00002 0.00302 -0.00352 -0.00707 174 3PY 0.00142 0.00186 0.00279 -0.00117 -0.00179 175 3PZ -0.00125 -0.00233 -0.00328 0.00348 0.00387 176 4XX 0.00013 0.00014 0.00020 -0.00002 0.00037 177 4YY -0.00014 -0.00027 -0.00003 0.00001 0.00028 178 4ZZ 0.00017 0.00027 0.00009 0.00002 -0.00005 179 4XY 0.00003 0.00025 -0.00030 0.00027 -0.00032 180 4XZ -0.00001 0.00009 0.00000 0.00013 0.00012 181 4YZ 0.00020 0.00013 0.00001 -0.00013 -0.00038 182 18 H 1S 0.00033 0.00088 -0.00036 0.00044 -0.00175 183 2S 0.00105 0.00242 0.00007 0.00122 -0.00035 184 19 H 1S 0.00047 0.00131 0.00137 0.00019 0.00234 185 2S -0.00001 0.00030 0.00254 0.00007 0.00354 126 127 128 129 130 126 2S 0.32638 127 2PX -0.00627 0.35796 128 2PY -0.00505 0.01764 0.39547 129 2PZ -0.00023 0.03159 0.00286 0.41513 130 3S 0.26256 0.01259 -0.00895 0.01810 0.26180 131 3PX 0.00788 0.20847 -0.02730 -0.02345 0.01954 132 3PY 0.00519 -0.03029 0.14272 0.01398 0.01747 133 3PZ 0.02143 -0.03462 0.01454 0.15272 0.01009 134 4XX -0.01300 -0.00842 0.00157 0.00182 -0.01032 135 4YY -0.00567 0.00510 0.01056 -0.00487 -0.00458 136 4ZZ 0.00187 0.00643 -0.01117 0.01089 0.00379 137 4XY 0.00314 -0.00403 0.00347 -0.00554 0.00101 138 4XZ 0.00651 -0.00869 -0.00481 0.00465 0.00515 139 4YZ -0.00397 -0.00313 -0.00971 -0.01335 -0.00342 140 10 H 1S -0.02776 0.02203 0.03605 0.01564 -0.04212 141 2S -0.02877 0.03597 0.07575 0.02252 -0.03869 142 11 H 1S 0.01730 -0.01606 -0.01277 -0.02093 0.05565 143 2S 0.02264 -0.02174 -0.01755 -0.04401 0.04919 144 12 H 1S -0.01908 -0.01675 -0.03476 -0.01062 -0.04598 145 2S -0.01526 -0.02433 -0.05315 -0.02190 -0.02835 146 13 H 1S 0.11951 0.06282 -0.08313 0.24155 0.11188 147 2S 0.03267 0.05415 -0.07283 0.19912 0.03730 148 14 C 1S -0.00025 0.00186 -0.00213 -0.00058 -0.00227 149 2S 0.00035 -0.00277 0.00398 0.00128 0.00204 150 2PX 0.00166 -0.02808 0.01196 0.00773 -0.00590 151 2PY 0.00122 -0.01673 0.00504 0.00532 0.00072 152 2PZ 0.00209 0.02568 -0.00778 -0.01323 0.01653 153 3S -0.00728 -0.01671 0.01052 0.01740 -0.00794 154 3PX -0.00203 -0.02630 0.00459 0.00962 -0.00934 155 3PY -0.00275 -0.01783 0.00766 0.01400 -0.00249 156 3PZ -0.00068 0.01881 -0.00329 -0.00432 0.01088 157 4XX 0.00036 -0.00068 0.00043 -0.00019 0.00003 158 4YY 0.00001 0.00094 -0.00027 -0.00017 0.00016 159 4ZZ -0.00041 0.00013 -0.00070 0.00017 -0.00020 160 4XY -0.00006 -0.00172 0.00040 0.00063 -0.00003 161 4XZ -0.00017 -0.00049 -0.00007 0.00027 0.00013 162 4YZ 0.00009 -0.00073 0.00005 0.00000 0.00006 163 15 H 1S 0.00065 0.00623 -0.00187 -0.00248 0.00374 164 2S 0.00156 0.01373 -0.00809 -0.00934 0.00038 165 16 H 1S -0.00152 -0.00312 -0.00002 0.00258 -0.00338 166 2S -0.00174 -0.00957 -0.00089 0.00465 -0.00074 167 17 C 1S -0.00365 -0.00330 -0.00660 0.00255 -0.00434 168 2S 0.00795 0.00776 0.01468 -0.00551 0.00913 169 2PX 0.02082 0.00018 0.03713 -0.00693 0.05256 170 2PY -0.00503 -0.01400 -0.00430 0.00799 -0.00340 171 2PZ -0.01919 0.01144 -0.03350 0.00584 -0.02584 172 3S 0.01155 0.00193 0.03724 -0.00680 0.01836 173 3PX 0.01620 -0.00537 0.02485 -0.01185 0.03735 174 3PY 0.00019 -0.00148 -0.00186 0.00331 0.00315 175 3PZ -0.01435 0.01254 -0.03663 0.00340 -0.02482 176 4XX -0.00073 -0.00046 -0.00161 0.00053 -0.00120 177 4YY -0.00048 -0.00041 -0.00071 0.00038 -0.00063 178 4ZZ 0.00014 -0.00055 0.00057 0.00011 0.00017 179 4XY 0.00044 0.00046 0.00139 -0.00064 0.00081 180 4XZ -0.00039 -0.00015 -0.00039 0.00003 -0.00076 181 4YZ 0.00122 -0.00023 0.00181 -0.00039 0.00257 182 18 H 1S 0.00226 0.00072 0.00671 -0.00114 0.01187 183 2S 0.00118 -0.00668 0.00770 -0.00037 0.00942 184 19 H 1S -0.00551 -0.00377 -0.01033 0.00368 -0.01760 185 2S -0.00858 -0.00314 -0.02311 0.00408 -0.01825 131 132 133 134 135 131 3PX 0.13495 132 3PY -0.02692 0.07237 133 3PZ -0.03674 0.01267 0.06937 134 4XX -0.00613 0.00117 0.00119 0.00099 135 4YY 0.00289 0.00302 -0.00225 0.00018 0.00130 136 4ZZ 0.00396 -0.00388 0.00303 -0.00015 -0.00063 137 4XY -0.00250 0.00143 -0.00087 0.00014 0.00012 138 4XZ -0.00466 -0.00009 0.00306 -0.00006 -0.00048 139 4YZ 0.00070 -0.00272 -0.00550 0.00009 0.00013 140 10 H 1S 0.00971 0.00920 0.00717 0.00156 0.00822 141 2S 0.01352 0.02229 0.00913 0.00141 0.00799 142 11 H 1S -0.01454 -0.01072 -0.02086 -0.00049 0.00053 143 2S -0.01384 -0.01415 -0.02434 -0.00062 0.00029 144 12 H 1S -0.00655 -0.00998 0.00107 0.00163 0.00424 145 2S -0.00658 -0.01280 -0.00582 0.00113 0.00130 146 13 H 1S 0.02451 -0.02640 0.08737 -0.00520 -0.00729 147 2S 0.01890 -0.02581 0.06665 -0.00212 -0.00615 148 14 C 1S 0.00136 -0.00186 0.00009 0.00021 0.00010 149 2S -0.00168 0.00311 0.00114 -0.00043 -0.00027 150 2PX -0.02547 0.00050 0.01139 -0.00035 -0.00109 151 2PY -0.01542 -0.00404 0.00227 0.00045 -0.00054 152 2PZ 0.02922 0.00793 -0.01019 -0.00092 0.00107 153 3S -0.01076 0.00448 0.01069 -0.00096 -0.00006 154 3PX -0.02313 -0.00473 0.00903 -0.00020 -0.00079 155 3PY -0.01738 0.00140 0.00654 0.00069 -0.00056 156 3PZ 0.02080 0.00701 -0.00526 -0.00065 0.00121 157 4XX -0.00060 0.00005 0.00028 0.00000 0.00001 158 4YY 0.00089 -0.00006 -0.00038 0.00001 0.00004 159 4ZZ 0.00002 -0.00021 -0.00017 0.00003 -0.00003 160 4XY -0.00169 0.00010 0.00054 0.00004 -0.00009 161 4XZ -0.00040 0.00028 0.00012 0.00003 -0.00004 162 4YZ -0.00086 -0.00028 0.00004 0.00001 -0.00003 163 15 H 1S 0.00668 -0.00101 -0.00409 -0.00005 0.00041 164 2S 0.01239 -0.00633 -0.00705 -0.00026 0.00073 165 16 H 1S -0.00485 -0.00064 0.00132 0.00027 -0.00032 166 2S -0.01029 -0.00054 0.00184 0.00060 -0.00045 167 17 C 1S -0.00284 -0.00388 0.00019 -0.00015 0.00048 168 2S 0.00609 0.00763 -0.00114 0.00035 -0.00100 169 2PX 0.01355 0.04201 -0.00090 0.00035 -0.00017 170 2PY -0.00941 0.00346 0.00609 -0.00119 0.00144 171 2PZ -0.00838 -0.03673 -0.01043 0.00011 -0.00131 172 3S 0.00352 0.02416 -0.00195 0.00127 -0.00060 173 3PX 0.00934 0.03149 -0.00228 -0.00032 0.00079 174 3PY 0.00012 0.00213 0.00286 -0.00095 0.00058 175 3PZ -0.00179 -0.03461 -0.00608 -0.00031 -0.00100 176 4XX -0.00007 -0.00067 0.00047 -0.00005 0.00006 177 4YY -0.00027 -0.00079 0.00003 0.00003 0.00000 178 4ZZ -0.00062 0.00030 0.00024 0.00002 -0.00002 179 4XY -0.00076 0.00012 -0.00079 0.00009 -0.00012 180 4XZ -0.00036 -0.00051 -0.00008 -0.00001 0.00001 181 4YZ -0.00013 0.00175 0.00003 0.00012 -0.00016 182 18 H 1S -0.00268 0.00508 -0.00347 0.00025 -0.00078 183 2S -0.00931 0.00504 -0.00240 0.00072 -0.00074 184 19 H 1S -0.00180 -0.00786 0.00505 -0.00076 0.00088 185 2S 0.00184 -0.01216 0.00367 -0.00125 0.00135 136 137 138 139 140 136 4ZZ 0.00141 137 4XY -0.00047 0.00056 138 4XZ 0.00033 -0.00003 0.00061 139 4YZ -0.00025 0.00014 -0.00001 0.00108 140 10 H 1S -0.00590 0.00367 -0.00240 0.00162 0.21396 141 2S -0.00646 0.00277 -0.00357 -0.00079 0.15793 142 11 H 1S -0.00259 0.00051 -0.00091 0.00057 -0.01936 143 2S -0.00314 0.00124 -0.00110 0.00105 -0.01661 144 12 H 1S -0.00230 0.00350 0.00111 0.00614 -0.01010 145 2S -0.00102 0.00225 0.00144 0.00639 -0.02009 146 13 H 1S 0.01192 -0.00396 0.00527 -0.00821 -0.02148 147 2S 0.01056 -0.00447 0.00351 -0.00630 -0.02373 148 14 C 1S -0.00033 0.00019 0.00002 0.00019 0.00124 149 2S 0.00079 -0.00045 -0.00001 -0.00039 -0.00298 150 2PX 0.00147 -0.00075 0.00034 -0.00065 -0.00869 151 2PY 0.00034 0.00038 0.00044 -0.00023 -0.00210 152 2PZ -0.00102 -0.00036 -0.00073 -0.00005 0.00276 153 3S 0.00195 -0.00230 0.00098 -0.00149 -0.00807 154 3PX 0.00118 -0.00101 0.00066 -0.00072 -0.00926 155 3PY 0.00037 0.00010 0.00052 -0.00042 -0.00259 156 3PZ -0.00082 -0.00048 -0.00047 -0.00006 0.00433 157 4XX 0.00000 0.00002 0.00000 0.00003 0.00016 158 4YY -0.00004 0.00003 -0.00001 -0.00001 0.00025 159 4ZZ -0.00001 -0.00002 0.00003 0.00003 -0.00037 160 4XY 0.00007 0.00000 0.00006 0.00004 -0.00077 161 4XZ 0.00000 -0.00001 0.00003 0.00001 -0.00041 162 4YZ 0.00002 0.00001 0.00001 0.00004 -0.00027 163 15 H 1S -0.00028 0.00019 -0.00016 -0.00016 0.00352 164 2S -0.00065 0.00025 -0.00056 0.00002 0.00666 165 16 H 1S 0.00025 0.00008 0.00021 0.00028 -0.00203 166 2S -0.00011 0.00029 0.00038 0.00050 -0.00426 167 17 C 1S 0.00011 -0.00063 0.00032 0.00002 -0.00101 168 2S -0.00016 0.00143 -0.00070 -0.00029 0.00267 169 2PX -0.00049 0.00238 -0.00001 -0.00017 0.00275 170 2PY -0.00029 -0.00167 0.00123 -0.00051 -0.00065 171 2PZ 0.00050 -0.00170 -0.00031 -0.00018 -0.00157 172 3S -0.00124 0.00222 -0.00053 -0.00013 0.00737 173 3PX -0.00078 0.00117 0.00010 0.00034 0.00132 174 3PY 0.00016 -0.00091 0.00032 -0.00056 -0.00025 175 3PZ 0.00097 -0.00153 -0.00046 -0.00020 -0.00202 176 4XX 0.00005 -0.00010 0.00005 -0.00004 -0.00016 177 4YY 0.00001 -0.00006 0.00000 0.00001 -0.00006 178 4ZZ -0.00003 0.00004 0.00003 -0.00002 0.00003 179 4XY -0.00013 0.00015 -0.00004 0.00004 0.00016 180 4XZ -0.00003 -0.00003 0.00001 0.00002 -0.00001 181 4YZ -0.00003 0.00026 -0.00001 0.00001 -0.00008 182 18 H 1S -0.00042 0.00066 0.00002 -0.00017 0.00048 183 2S -0.00070 0.00100 0.00028 0.00028 -0.00138 184 19 H 1S 0.00027 -0.00125 0.00029 -0.00014 -0.00040 185 2S 0.00074 -0.00211 0.00044 0.00016 -0.00214 141 142 143 144 145 141 2S 0.13396 142 11 H 1S -0.02228 0.22093 143 2S -0.01868 0.16499 0.14526 144 12 H 1S -0.01702 0.00137 -0.00075 0.21418 145 2S -0.02629 0.00392 0.01107 0.15139 0.12657 146 13 H 1S -0.02308 -0.01043 -0.02115 -0.02038 -0.01937 147 2S -0.02560 -0.01840 -0.02864 -0.01973 -0.01833 148 14 C 1S 0.00254 0.00711 0.00462 0.00335 0.00570 149 2S -0.00518 -0.01635 -0.01155 -0.00714 -0.01103 150 2PX -0.01721 -0.01804 -0.03385 -0.01068 -0.01846 151 2PY -0.00589 0.01434 0.00041 -0.00023 -0.00246 152 2PZ 0.00994 0.00342 -0.01353 -0.00466 -0.00939 153 3S -0.01373 -0.03041 -0.02552 -0.01547 -0.01899 154 3PX -0.01542 -0.00376 -0.01213 -0.00817 -0.01169 155 3PY -0.00521 0.00310 -0.00251 -0.00014 -0.00198 156 3PZ 0.00903 0.00654 0.00031 -0.00144 -0.00279 157 4XX -0.00009 -0.00031 -0.00096 0.00013 0.00007 158 4YY 0.00068 0.00088 0.00078 -0.00002 -0.00009 159 4ZZ -0.00037 0.00039 0.00142 0.00068 0.00124 160 4XY -0.00149 0.00024 0.00214 0.00088 0.00175 161 4XZ -0.00059 -0.00027 0.00044 0.00050 0.00075 162 4YZ -0.00064 0.00072 0.00199 0.00044 0.00087 163 15 H 1S 0.00593 0.00631 0.00057 -0.00232 -0.00515 164 2S 0.01102 0.00936 -0.00041 -0.00335 -0.00731 165 16 H 1S -0.00395 -0.00352 0.01735 0.00531 0.01062 166 2S -0.00687 0.01138 0.02899 0.01160 0.01836 167 17 C 1S -0.00291 0.00328 0.00618 0.00714 0.00466 168 2S 0.00671 -0.00656 -0.01102 -0.01657 -0.01144 169 2PX 0.00611 0.00121 0.00491 -0.01063 0.00339 170 2PY -0.00521 0.01119 0.02384 0.01775 0.03693 171 2PZ -0.00531 0.00074 0.00242 -0.01027 0.00256 172 3S 0.01578 -0.01646 -0.02478 -0.01942 -0.01841 173 3PX 0.00457 0.00263 0.00373 -0.00258 0.00361 174 3PY -0.00262 0.00883 0.01592 -0.00046 0.01086 175 3PZ -0.00498 0.00189 0.00254 -0.01050 -0.00464 176 4XX -0.00034 0.00005 0.00020 0.00072 0.00061 177 4YY -0.00013 0.00026 0.00017 -0.00049 -0.00088 178 4ZZ -0.00017 0.00060 0.00133 0.00068 0.00159 179 4XY 0.00018 0.00091 0.00170 0.00021 0.00179 180 4XZ -0.00006 0.00013 0.00021 0.00066 0.00121 181 4YZ -0.00017 0.00082 0.00173 0.00005 0.00146 182 18 H 1S -0.00028 0.00542 0.01199 -0.00336 0.01671 183 2S -0.00393 0.01061 0.01878 0.01097 0.02650 184 19 H 1S -0.00082 -0.00254 -0.00523 0.00612 0.00079 185 2S -0.00364 -0.00293 -0.00732 0.00831 -0.00007 146 147 148 149 150 146 13 H 1S 0.21403 147 2S 0.15704 0.13117 148 14 C 1S -0.00092 -0.00208 2.05313 149 2S 0.00224 0.00445 -0.06250 0.31859 150 2PX 0.00393 0.00846 -0.00125 -0.00046 0.40295 151 2PY 0.00107 0.00227 0.00039 0.00079 -0.02109 152 2PZ -0.00349 -0.00745 -0.00060 -0.00171 0.03131 153 3S 0.01024 0.01677 -0.17476 0.29019 0.06790 154 3PX 0.00500 0.00992 0.00264 -0.00960 0.20587 155 3PY 0.00383 0.00568 -0.00069 0.00270 0.01693 156 3PZ -0.00141 -0.00477 0.00080 -0.00518 -0.02420 157 4XX -0.00021 -0.00032 -0.01737 -0.00339 0.01241 158 4YY -0.00002 -0.00013 -0.01946 0.00025 -0.01490 159 4ZZ 0.00008 0.00016 -0.01567 -0.00756 -0.00558 160 4XY 0.00013 0.00026 0.00227 -0.00498 0.00247 161 4XZ 0.00006 0.00012 -0.00338 0.00744 0.00392 162 4YZ -0.00008 -0.00002 -0.00444 0.00916 -0.00667 163 15 H 1S -0.00069 -0.00143 -0.06010 0.11765 -0.13676 164 2S -0.00279 -0.00412 -0.01298 0.03522 -0.10695 165 16 H 1S 0.00062 0.00165 -0.06045 0.11814 -0.10107 166 2S -0.00005 0.00013 -0.01430 0.03715 -0.07919 167 17 C 1S 0.00142 0.00273 -0.00177 0.00351 0.00302 168 2S -0.00267 -0.00509 0.00340 -0.00703 -0.00504 169 2PX -0.00741 -0.01881 -0.00511 0.01210 -0.03683 170 2PY 0.00330 0.00477 -0.00337 0.00488 0.00013 171 2PZ 0.00870 0.02024 -0.00209 0.00530 0.04290 172 3S -0.01051 -0.01449 0.01087 -0.02175 -0.06937 173 3PX -0.00969 -0.01757 -0.00472 0.00960 -0.02875 174 3PY 0.00367 0.00318 -0.00151 0.00252 0.01730 175 3PZ 0.00971 0.01773 -0.00198 0.00394 0.04347 176 4XX 0.00050 0.00069 -0.00034 0.00052 0.00032 177 4YY 0.00014 0.00026 0.00021 -0.00047 -0.00046 178 4ZZ -0.00010 -0.00019 -0.00013 0.00009 0.00054 179 4XY -0.00067 -0.00066 0.00017 -0.00045 -0.00108 180 4XZ -0.00004 0.00018 -0.00004 -0.00001 0.00049 181 4YZ -0.00044 -0.00109 0.00020 -0.00041 -0.00192 182 18 H 1S -0.00123 -0.00149 -0.00124 0.00264 -0.00061 183 2S -0.00357 -0.00381 -0.00039 0.00092 -0.00544 184 19 H 1S 0.00323 0.00566 0.00156 -0.00470 0.00542 185 2S 0.00563 0.00882 -0.00429 0.00668 0.01374 151 152 153 154 155 151 2PY 0.39669 152 2PZ 0.02755 0.37299 153 3S -0.01107 0.04091 0.31414 154 3PX 0.01718 -0.02315 0.03042 0.11746 155 3PY 0.17648 -0.03146 -0.00338 0.02595 0.08827 156 3PZ -0.03539 0.21378 0.01980 -0.03748 -0.04459 157 4XX 0.00551 -0.00214 -0.00114 0.00682 0.00366 158 4YY 0.00715 -0.00252 -0.00163 -0.00692 0.00232 159 4ZZ -0.01036 -0.00006 -0.00617 -0.00332 -0.00495 160 4XY -0.01251 -0.01109 -0.00416 0.00180 -0.00390 161 4XZ -0.01124 0.00304 0.00791 0.00052 -0.00488 162 4YZ -0.00102 -0.01246 0.00636 -0.00241 0.00072 163 15 H 1S 0.22141 0.04733 0.08435 -0.06293 0.08492 164 2S 0.18405 0.03943 0.00845 -0.04648 0.06900 165 16 H 1S -0.16768 -0.17654 0.08130 -0.04978 -0.06064 166 2S -0.14347 -0.14386 0.01167 -0.03722 -0.05113 167 17 C 1S 0.00494 0.00233 0.00944 0.00070 0.00491 168 2S -0.01302 -0.00304 -0.01848 -0.00173 -0.01138 169 2PX -0.01418 0.06175 0.00658 -0.05324 -0.01824 170 2PY -0.01710 0.03032 0.07185 0.01538 -0.00913 171 2PZ 0.05388 -0.06014 0.01632 0.03938 0.03898 172 3S -0.00210 -0.03879 -0.06097 -0.03684 -0.00578 173 3PX -0.01954 0.05200 0.00935 -0.03537 -0.01895 174 3PY -0.03829 0.03630 0.03969 0.01075 -0.02008 175 3PZ 0.03310 -0.04960 0.00985 0.03813 0.02550 176 4XX -0.00068 0.00198 0.00311 0.00088 -0.00060 177 4YY -0.00019 -0.00125 -0.00203 -0.00040 0.00007 178 4ZZ 0.00082 -0.00060 0.00135 0.00038 0.00067 179 4XY 0.00168 -0.00120 -0.00159 -0.00094 0.00132 180 4XZ 0.00049 -0.00022 0.00137 0.00122 0.00021 181 4YZ 0.00058 -0.00001 -0.00197 -0.00243 0.00026 182 18 H 1S 0.00926 0.00077 0.01807 -0.00063 0.00486 183 2S 0.01864 -0.00594 0.00958 -0.00395 0.01176 184 19 H 1S -0.01353 0.00110 0.01491 0.02038 -0.00848 185 2S 0.00587 0.00688 0.02945 0.02330 0.00050 156 157 158 159 160 156 3PZ 0.13667 157 4XX -0.00348 0.00080 158 4YY -0.00089 -0.00017 0.00091 159 4ZZ 0.00216 -0.00017 0.00011 0.00082 160 4XY -0.00462 -0.00003 -0.00039 0.00054 0.00113 161 4XZ 0.00281 -0.00014 -0.00039 0.00020 0.00030 162 4YZ -0.00641 -0.00020 0.00026 -0.00004 0.00033 163 15 H 1S 0.01097 -0.00205 0.00915 -0.00672 -0.01160 164 2S 0.00761 -0.00089 0.00760 -0.00500 -0.00992 165 16 H 1S -0.07092 -0.00534 0.00177 0.00362 0.00828 166 2S -0.05533 -0.00404 0.00051 0.00490 0.00898 167 17 C 1S 0.00137 0.00015 -0.00038 0.00002 0.00016 168 2S -0.00146 -0.00043 0.00061 -0.00019 -0.00043 169 2PX 0.03960 -0.00028 0.00038 -0.00057 -0.00095 170 2PY 0.03787 0.00009 -0.00124 0.00074 0.00190 171 2PZ -0.05822 0.00155 -0.00114 0.00013 -0.00053 172 3S -0.02025 -0.00132 0.00369 0.00001 -0.00150 173 3PX 0.03785 -0.00058 0.00052 -0.00042 -0.00095 174 3PY 0.03374 -0.00022 -0.00194 0.00103 0.00188 175 3PZ -0.04508 0.00133 -0.00096 -0.00031 -0.00027 176 4XX 0.00191 -0.00002 0.00000 -0.00004 -0.00004 177 4YY -0.00110 -0.00004 -0.00001 0.00010 0.00007 178 4ZZ -0.00022 0.00009 -0.00006 0.00000 0.00011 179 4XY -0.00142 0.00001 -0.00006 0.00016 0.00011 180 4XZ 0.00000 0.00000 -0.00002 0.00002 0.00001 181 4YZ -0.00005 0.00006 -0.00002 0.00005 0.00018 182 18 H 1S -0.00142 0.00048 -0.00063 0.00041 0.00056 183 2S -0.00587 0.00059 -0.00066 0.00072 0.00131 184 19 H 1S 0.01121 -0.00044 0.00026 -0.00015 0.00016 185 2S 0.01006 0.00005 0.00038 -0.00118 -0.00107 161 162 163 164 165 161 4XZ 0.00069 162 4YZ 0.00014 0.00082 163 15 H 1S -0.00459 0.00319 0.21419 164 2S -0.00581 0.00029 0.15637 0.13066 165 16 H 1S 0.00568 0.01109 -0.03606 -0.05860 0.21404 166 2S 0.00414 0.00774 -0.05935 -0.06432 0.15769 167 17 C 1S 0.00024 0.00007 0.00151 -0.00454 -0.00112 168 2S -0.00045 -0.00028 -0.00456 0.00717 0.00230 169 2PX 0.00013 -0.00131 0.01039 -0.01186 -0.00818 170 2PY 0.00179 0.00011 -0.00755 -0.01819 0.00163 171 2PZ -0.00047 0.00085 0.00591 0.00228 -0.00346 172 3S -0.00238 0.00065 0.01594 0.02970 0.01883 173 3PX 0.00022 -0.00106 0.00731 -0.00417 -0.00524 174 3PY 0.00207 -0.00061 -0.02395 -0.02702 0.00089 175 3PZ -0.00046 0.00067 -0.00095 0.00274 -0.00155 176 4XX 0.00001 -0.00005 0.00017 0.00014 -0.00052 177 4YY 0.00003 0.00004 -0.00044 -0.00022 0.00069 178 4ZZ 0.00004 0.00005 -0.00015 -0.00092 0.00016 179 4XY 0.00011 0.00008 0.00015 -0.00076 0.00055 180 4XZ 0.00002 0.00001 0.00008 0.00029 -0.00012 181 4YZ 0.00007 0.00008 0.00002 -0.00118 0.00061 182 18 H 1S 0.00057 0.00018 0.00087 -0.00885 0.00005 183 2S 0.00078 0.00077 0.00347 -0.00987 0.00246 184 19 H 1S -0.00001 0.00000 -0.00477 0.00820 0.00092 185 2S -0.00058 -0.00023 0.00828 0.01561 -0.00871 166 167 168 169 170 166 2S 0.13090 167 17 C 1S -0.00033 2.05314 168 2S 0.00049 -0.06318 0.32165 169 2PX -0.01604 -0.00079 0.00344 0.38437 170 2PY 0.00935 0.00093 0.00260 -0.01890 0.41380 171 2PZ -0.00351 0.00049 -0.00263 0.03753 0.02021 172 3S 0.01175 -0.17114 0.28250 0.01014 -0.06114 173 3PX -0.01055 0.00210 -0.00383 0.19162 0.01120 174 3PY 0.00588 -0.00367 0.01391 0.00973 0.18491 175 3PZ -0.00215 -0.00081 0.00148 -0.04088 -0.00964 176 4XX -0.00052 -0.01766 -0.00340 -0.00480 0.01236 177 4YY 0.00077 -0.01875 -0.00045 -0.00082 -0.01217 178 4ZZ 0.00047 -0.01610 -0.00668 0.00435 0.00946 179 4XY 0.00124 0.00151 -0.00348 0.00680 0.00072 180 4XZ 0.00015 -0.00575 0.01196 -0.00389 0.01069 181 4YZ 0.00102 -0.00204 0.00463 0.01626 0.00031 182 18 H 1S 0.00180 -0.06069 0.11946 0.14473 0.13598 183 2S 0.00768 -0.01459 0.03818 0.12225 0.10585 184 19 H 1S 0.00402 -0.06024 0.11783 -0.19820 0.12880 185 2S -0.00913 -0.01289 0.03442 -0.16440 0.10095 171 172 173 174 175 171 2PZ 0.37326 172 3S -0.02413 0.29885 173 3PX -0.04347 0.00237 0.11060 174 3PY -0.01029 -0.02732 0.01713 0.09205 175 3PZ 0.20484 -0.01494 -0.05703 -0.01604 0.12729 176 4XX -0.00404 -0.00402 -0.00093 0.00550 -0.00199 177 4YY 0.00192 0.00177 -0.00150 -0.00526 0.00196 178 4ZZ 0.00308 -0.00642 0.00210 0.00398 0.00042 179 4XY 0.01601 -0.00322 0.00053 -0.00054 0.00731 180 4XZ 0.00514 0.00871 -0.00246 0.00476 0.00300 181 4YZ 0.00195 0.00429 0.00743 0.00096 -0.00175 182 18 H 1S 0.17442 0.08075 0.04932 0.06335 0.06742 183 2S 0.14569 0.01437 0.04057 0.04598 0.05368 184 19 H 1S -0.11990 0.08871 -0.07511 0.05903 -0.04053 185 2S -0.09942 0.01461 -0.05912 0.04372 -0.03173 176 177 178 179 180 176 4XX 0.00073 177 4YY -0.00023 0.00067 178 4ZZ 0.00041 -0.00013 0.00064 179 4XY -0.00031 0.00005 0.00035 0.00113 180 4XZ 0.00020 -0.00024 0.00001 0.00005 0.00083 181 4YZ -0.00030 -0.00004 0.00023 0.00049 0.00004 182 18 H 1S -0.00064 -0.00314 0.00401 0.00887 0.00874 183 2S -0.00077 -0.00243 0.00464 0.00915 0.00484 184 19 H 1S 0.00659 -0.00365 -0.00257 -0.00986 0.00804 185 2S 0.00617 -0.00302 -0.00152 -0.00875 0.00415 181 182 183 184 185 181 4YZ 0.00102 182 18 H 1S 0.00912 0.21448 183 2S 0.00783 0.15755 0.13079 184 19 H 1S -0.00730 -0.03627 -0.05956 0.21453 185 2S -0.00793 -0.05913 -0.06514 0.15650 0.13075 Full Mulliken population analysis: 1 2 3 4 5 1 1 S 1S 2.15431 2 2S -0.15822 2.36010 3 2PX 0.00000 0.00000 2.06850 4 2PY 0.00000 0.00000 0.00000 2.05635 5 2PZ 0.00000 0.00000 0.00000 0.00000 2.05117 6 3S 0.00043 -0.14181 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.06613 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 -0.05382 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.05083 10 4S 0.00194 -0.06120 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.00652 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 -0.00325 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00408 14 5XX 0.00006 -0.00359 0.00000 0.00000 0.00000 15 5YY 0.00006 -0.00309 0.00000 0.00000 0.00000 16 5ZZ 0.00006 -0.00422 0.00000 0.00000 0.00000 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00000 0.00001 0.00000 -0.00020 -0.00004 22 2PX 0.00000 -0.00002 -0.00006 0.00001 0.00000 23 2PY 0.00000 -0.00061 0.00001 -0.00142 -0.00056 24 2PZ 0.00000 -0.00010 0.00000 -0.00054 0.00003 25 3S -0.00012 0.00440 0.00002 -0.00005 -0.00025 26 3PX 0.00001 -0.00027 -0.00048 0.00006 -0.00001 27 3PY 0.00015 -0.00414 0.00006 -0.00456 -0.00250 28 3PZ 0.00001 -0.00021 -0.00001 -0.00234 -0.00016 29 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 30 4YY 0.00001 -0.00053 0.00000 -0.00037 -0.00025 31 4ZZ 0.00000 -0.00002 0.00000 -0.00005 0.00000 32 4XY 0.00000 -0.00001 -0.00009 0.00000 0.00000 33 4XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 34 4YZ 0.00000 -0.00019 0.00000 -0.00036 0.00002 35 3 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 0.00001 -0.00001 0.00000 -0.00001 37 2PX 0.00000 0.00000 -0.00005 -0.00005 -0.00005 38 2PY 0.00000 -0.00004 -0.00006 -0.00002 -0.00006 39 2PZ 0.00000 -0.00002 -0.00007 -0.00005 -0.00003 40 3S -0.00006 0.00266 -0.00070 0.00038 -0.00023 41 3PX -0.00002 0.00075 -0.00035 -0.00045 -0.00075 42 3PY 0.00004 -0.00149 -0.00085 -0.00016 -0.00099 43 3PZ 0.00001 -0.00007 -0.00131 -0.00072 -0.00019 44 4XX 0.00000 -0.00003 0.00003 -0.00002 0.00000 45 4YY 0.00000 -0.00002 -0.00001 0.00000 -0.00001 46 4ZZ 0.00000 -0.00002 -0.00001 -0.00002 0.00000 47 4XY 0.00000 -0.00003 -0.00001 -0.00001 -0.00003 48 4XZ 0.00000 -0.00003 -0.00001 -0.00003 -0.00001 49 4YZ 0.00000 -0.00004 -0.00006 -0.00001 -0.00002 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 -0.00002 0.00000 0.00001 0.00000 56 3PX 0.00000 0.00003 0.00003 -0.00001 0.00002 57 3PY 0.00000 -0.00004 -0.00001 0.00001 -0.00001 58 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00000 0.00004 0.00008 -0.00001 -0.00001 71 3PX 0.00000 -0.00001 0.00016 0.00003 0.00000 72 3PY 0.00000 0.00010 0.00006 0.00000 0.00000 73 3PZ 0.00000 0.00006 -0.00001 0.00001 0.00001 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00000 -0.00001 0.00002 0.00000 0.00000 86 3PX 0.00000 -0.00005 0.00003 0.00000 0.00000 87 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S 0.00000 0.00004 0.00007 0.00001 0.00002 101 3PX -0.00001 0.00014 0.00024 0.00005 0.00008 102 3PY 0.00000 0.00005 0.00005 0.00000 0.00001 103 3PZ 0.00000 0.00007 -0.00002 -0.00001 0.00000 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00002 -0.00002 0.00000 -0.00003 112 2PX 0.00000 -0.00004 -0.00013 -0.00001 -0.00021 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 -0.00010 -0.00023 -0.00001 -0.00023 115 3S 0.00001 0.00002 -0.00115 -0.00005 -0.00071 116 3PX -0.00003 0.00084 -0.00019 -0.00004 -0.00085 117 3PY 0.00000 -0.00008 -0.00006 -0.00013 -0.00004 118 3PZ 0.00002 -0.00011 -0.00181 -0.00008 -0.00075 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 -0.00002 -0.00001 0.00000 -0.00002 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00000 0.00013 0.00005 0.00000 0.00004 131 3PX 0.00000 0.00017 0.00000 0.00001 0.00008 132 3PY 0.00000 0.00005 0.00004 0.00000 0.00003 133 3PZ -0.00001 0.00024 0.00010 -0.00004 0.00005 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00017 0.00000 0.00001 0.00015 146 13 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 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 1.34166 7 3PX 0.00000 0.72448 8 3PY 0.00000 0.00000 0.61524 9 3PZ 0.00000 0.00000 0.00000 0.59005 10 4S 0.37830 0.00000 0.00000 0.00000 0.45679 11 4PX 0.00000 0.13580 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.05970 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.07326 0.00000 14 5XX -0.01668 0.00000 0.00000 0.00000 0.00153 15 5YY -0.01888 0.00000 0.00000 0.00000 -0.02579 16 5ZZ -0.01147 0.00000 0.00000 0.00000 0.00581 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 O 1S 0.00040 0.00001 -0.00084 -0.00019 0.00112 21 2S -0.00726 -0.00014 0.01493 0.00273 -0.01927 22 2PX 0.00046 0.00746 -0.00041 0.00007 0.00091 23 2PY 0.02580 -0.00050 0.06156 0.02936 -0.01341 24 2PZ 0.00390 0.00012 0.02824 0.00123 -0.00267 25 3S -0.06804 -0.00043 -0.02585 -0.00151 -0.05402 26 3PX 0.00158 0.00977 -0.00112 0.00017 0.00312 27 3PY 0.03392 -0.00124 0.05449 0.04008 -0.04084 28 3PZ 0.00180 0.00022 0.03827 0.00734 -0.00879 29 4XX -0.00009 0.00000 -0.00042 -0.00020 0.00109 30 4YY 0.00696 -0.00010 0.00687 0.00518 -0.00170 31 4ZZ 0.00042 0.00000 0.00268 -0.00039 0.00008 32 4XY 0.00004 0.00232 0.00002 0.00002 0.00003 33 4XZ 0.00001 0.00048 0.00001 0.00000 0.00001 34 4YZ 0.00151 -0.00001 0.00371 0.00016 -0.00020 35 3 O 1S 0.00019 -0.00025 0.00002 -0.00011 0.00127 36 2S -0.00415 0.00368 0.00014 0.00142 -0.01718 37 2PX 0.00011 0.00472 0.00664 0.00744 -0.00687 38 2PY 0.00384 0.00866 0.00223 0.00852 0.00269 39 2PZ 0.00288 0.01084 0.00770 0.00183 -0.00720 40 3S -0.04194 0.01434 -0.01687 0.00214 -0.09515 41 3PX -0.00749 0.00301 0.00696 0.01243 -0.02491 42 3PY 0.01034 0.01528 0.00089 0.01868 0.00786 43 3PZ 0.00352 0.02588 0.01368 -0.00143 -0.02986 44 4XX 0.00099 -0.00119 0.00087 0.00003 0.00303 45 4YY 0.00071 0.00072 0.00002 0.00079 0.00182 46 4ZZ 0.00074 0.00133 0.00126 0.00000 -0.00067 47 4XY 0.00050 0.00014 0.00012 0.00065 -0.00010 48 4XZ 0.00050 0.00019 0.00061 0.00008 -0.00004 49 4YZ 0.00059 0.00159 0.00016 0.00017 -0.00014 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 51 2S 0.00000 -0.00002 -0.00001 -0.00001 0.00042 52 2PX -0.00005 -0.00013 0.00004 -0.00010 0.00014 53 2PY 0.00001 0.00001 -0.00003 0.00001 0.00006 54 2PZ -0.00001 -0.00004 -0.00001 0.00000 0.00026 55 3S -0.00004 -0.00119 -0.00054 -0.00013 0.00271 56 3PX -0.00131 -0.00195 0.00058 -0.00170 -0.00042 57 3PY 0.00034 -0.00029 -0.00040 0.00026 0.00015 58 3PZ -0.00008 -0.00062 0.00003 0.00002 0.00151 59 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 66 2S 0.00005 -0.00038 0.00000 0.00000 0.00102 67 2PX 0.00005 -0.00131 -0.00019 -0.00008 0.00216 68 2PY -0.00008 -0.00043 -0.00001 -0.00003 -0.00034 69 2PZ -0.00003 0.00001 -0.00003 0.00000 -0.00011 70 3S 0.00119 -0.00083 0.00093 -0.00008 0.00365 71 3PX 0.00158 -0.00478 -0.00063 -0.00045 0.00710 72 3PY -0.00060 -0.00075 0.00011 -0.00026 -0.00024 73 3PZ -0.00052 0.00103 -0.00005 -0.00008 -0.00139 74 4XX -0.00001 0.00003 -0.00001 -0.00001 -0.00035 75 4YY 0.00000 0.00001 0.00001 0.00001 0.00005 76 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00021 77 4XY 0.00001 0.00009 0.00000 0.00000 0.00001 78 4XZ 0.00000 0.00003 0.00001 -0.00002 -0.00002 79 4YZ 0.00000 0.00001 0.00000 0.00000 -0.00001 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 81 2S -0.00001 -0.00004 0.00000 0.00000 -0.00044 82 2PX -0.00003 -0.00014 0.00000 0.00000 -0.00011 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 85 3S -0.00009 -0.00183 0.00000 0.00000 -0.00005 86 3PX 0.00006 -0.00276 0.00000 0.00014 0.00073 87 3PY 0.00000 0.00000 -0.00026 0.00000 -0.00001 88 3PZ 0.00001 -0.00002 0.00000 0.00000 -0.00005 89 4XX 0.00000 -0.00001 0.00000 0.00000 -0.00004 90 4YY 0.00000 0.00000 0.00000 0.00000 -0.00004 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 96 2S -0.00006 -0.00035 -0.00004 -0.00008 -0.00034 97 2PX -0.00027 -0.00080 -0.00007 -0.00038 -0.00010 98 2PY 0.00001 -0.00014 0.00000 -0.00004 0.00035 99 2PZ -0.00008 0.00007 0.00003 0.00000 -0.00052 100 3S 0.00111 -0.00212 -0.00091 -0.00045 0.00813 101 3PX -0.00098 -0.00774 -0.00176 -0.00211 0.00888 102 3PY 0.00017 -0.00139 0.00028 0.00030 0.00396 103 3PZ -0.00116 0.00068 0.00019 0.00042 -0.00217 104 4XX 0.00000 0.00013 0.00002 0.00003 -0.00014 105 4YY 0.00000 -0.00002 0.00000 0.00000 -0.00010 106 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00005 107 4XY 0.00000 0.00004 0.00000 0.00001 -0.00002 108 4XZ 0.00001 0.00007 0.00001 0.00000 -0.00001 109 4YZ 0.00000 0.00002 0.00000 0.00000 -0.00001 110 8 C 1S 0.00004 -0.00026 -0.00001 -0.00023 0.00126 111 2S -0.00213 0.00433 0.00015 0.00427 -0.00917 112 2PX 0.00134 0.00850 0.00057 0.01747 -0.00465 113 2PY 0.00003 0.00034 0.00011 0.00042 -0.00027 114 2PZ 0.00401 0.01962 0.00061 0.01648 -0.00324 115 3S -0.01310 0.02896 0.00189 0.01083 -0.07989 116 3PX -0.00253 0.00399 0.00090 0.02674 -0.00817 117 3PY 0.00027 0.00116 0.00103 0.00055 -0.00120 118 3PZ -0.00464 0.03652 0.00222 0.01228 -0.03892 119 4XX 0.00055 -0.00033 -0.00003 0.00092 0.00140 120 4YY -0.00021 -0.00025 0.00000 -0.00037 -0.00014 121 4ZZ 0.00027 0.00134 0.00004 0.00032 -0.00040 122 4XY 0.00001 0.00000 0.00013 0.00002 0.00001 123 4XZ 0.00102 0.00067 0.00002 0.00146 0.00019 124 4YZ 0.00001 0.00003 0.00014 0.00001 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00006 126 2S -0.00006 -0.00006 -0.00003 -0.00018 -0.00067 127 2PX -0.00025 -0.00002 -0.00003 -0.00023 -0.00073 128 2PY -0.00003 -0.00015 0.00001 -0.00012 -0.00034 129 2PZ -0.00018 -0.00010 0.00002 -0.00024 -0.00099 130 3S -0.00095 -0.00119 0.00041 -0.00056 0.00167 131 3PX -0.00395 -0.00060 -0.00035 -0.00352 -0.00337 132 3PY -0.00010 -0.00164 -0.00001 -0.00061 0.00050 133 3PZ -0.00234 -0.00167 0.00132 -0.00052 -0.00039 134 4XX 0.00001 0.00001 0.00000 0.00003 0.00005 135 4YY 0.00000 -0.00002 0.00000 -0.00002 -0.00001 136 4ZZ 0.00000 0.00002 0.00000 0.00001 0.00007 137 4XY 0.00000 0.00002 0.00000 0.00002 -0.00004 138 4XZ 0.00000 0.00001 0.00001 0.00001 -0.00002 139 4YZ 0.00000 0.00003 0.00000 0.00003 -0.00002 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 141 2S -0.00001 -0.00001 0.00001 0.00000 -0.00024 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 143 2S -0.00001 0.00068 0.00013 0.00010 -0.00162 144 12 H 1S -0.00024 -0.00009 0.00000 -0.00063 -0.00151 145 2S -0.00317 -0.00058 -0.00002 -0.00698 -0.00791 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00006 147 2S 0.00004 0.00007 -0.00002 0.00032 0.00060 148 14 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 0.00001 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 0.00000 -0.00001 0.00000 0.00000 0.00009 154 3PX 0.00001 0.00007 0.00000 0.00000 0.00001 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 3PZ 0.00000 -0.00001 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00001 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 -0.00013 169 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00001 0.00000 0.00000 -0.00008 171 2PZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 172 3S -0.00003 -0.00002 -0.00005 0.00009 0.00054 173 3PX -0.00014 -0.00080 -0.00033 -0.00028 0.00027 174 3PY -0.00001 0.00027 0.00002 0.00016 0.00013 175 3PZ -0.00004 -0.00055 -0.00016 -0.00001 0.00051 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00001 0.00002 0.00000 0.00001 0.00008 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 0.00000 0.00000 0.00004 11 12 13 14 15 11 4PX 0.08712 12 4PY 0.00000 0.07536 13 4PZ 0.00000 0.00000 0.05608 14 5XX 0.00000 0.00000 0.00000 0.01064 15 5YY 0.00000 0.00000 0.00000 -0.00296 0.02548 16 5ZZ 0.00000 0.00000 0.00000 0.00073 -0.00482 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 O 1S 0.00000 0.00067 0.00010 0.00000 -0.00038 21 2S 0.00006 -0.00851 -0.00133 -0.00044 0.00689 22 2PX 0.01263 -0.00073 -0.00010 0.00004 0.00012 23 2PY -0.00018 -0.00011 0.00567 -0.00105 0.00365 24 2PZ 0.00005 0.00462 0.00941 -0.00024 0.01165 25 3S 0.00005 -0.03375 -0.00516 -0.00256 0.01422 26 3PX 0.03102 -0.00180 -0.00023 -0.00003 0.00018 27 3PY -0.00046 -0.00011 0.01192 -0.00537 0.00263 28 3PZ 0.00013 0.00922 0.02976 -0.00144 0.01760 29 4XX -0.00001 0.00056 0.00009 0.00006 -0.00026 30 4YY -0.00003 0.00003 0.00174 -0.00018 -0.00035 31 4ZZ 0.00001 0.00232 -0.00084 0.00000 0.00053 32 4XY 0.00090 -0.00001 0.00000 0.00001 0.00002 33 4XZ 0.00019 -0.00001 0.00000 0.00000 0.00001 34 4YZ 0.00000 0.00006 0.00046 -0.00010 0.00132 35 3 O 1S 0.00039 0.00048 -0.00001 0.00000 -0.00001 36 2S -0.00567 -0.00516 -0.00026 -0.00004 0.00028 37 2PX -0.00035 0.00167 0.00106 -0.00054 0.00175 38 2PY -0.00028 0.00229 0.00059 0.00233 -0.00100 39 2PZ 0.00122 0.00175 0.00099 0.00085 0.00159 40 3S -0.01542 -0.02908 -0.00289 -0.00074 0.00432 41 3PX -0.00167 0.00253 0.00101 -0.00190 0.00695 42 3PY -0.00215 0.01307 0.00088 0.00736 -0.00336 43 3PZ 0.00224 0.00221 0.00413 0.00254 0.00638 44 4XX -0.00056 0.00113 0.00008 -0.00002 -0.00013 45 4YY 0.00073 -0.00023 0.00050 0.00008 -0.00010 46 4ZZ 0.00062 0.00090 -0.00025 0.00009 0.00010 47 4XY 0.00000 -0.00002 0.00004 -0.00005 0.00005 48 4XZ -0.00001 0.00005 0.00000 -0.00006 0.00013 49 4YZ 0.00005 0.00007 0.00001 0.00027 -0.00005 50 4 C 1S 0.00002 0.00004 0.00001 0.00000 0.00000 51 2S -0.00030 -0.00069 -0.00011 0.00000 0.00000 52 2PX -0.00045 0.00157 -0.00017 0.00000 0.00000 53 2PY -0.00019 -0.00066 -0.00008 0.00000 0.00000 54 2PZ -0.00020 -0.00013 0.00005 0.00000 0.00000 55 3S -0.00177 -0.00143 -0.00015 -0.00008 -0.00002 56 3PX -0.00135 0.00591 -0.00044 -0.00021 0.00045 57 3PY -0.00043 -0.00079 -0.00029 -0.00008 -0.00008 58 3PZ -0.00061 -0.00061 0.00025 0.00001 -0.00010 59 4XX 0.00002 0.00006 -0.00001 0.00000 0.00000 60 4YY -0.00003 0.00002 0.00001 0.00000 0.00000 61 4ZZ 0.00001 -0.00006 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 64 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00007 -0.00004 0.00000 0.00000 0.00000 66 2S -0.00138 0.00090 0.00004 0.00000 0.00000 67 2PX -0.00237 0.00041 -0.00026 0.00006 -0.00002 68 2PY -0.00116 0.00012 -0.00012 -0.00001 0.00000 69 2PZ -0.00015 -0.00019 -0.00021 0.00000 0.00000 70 3S -0.00063 0.00114 0.00005 0.00026 -0.00012 71 3PX -0.00151 0.00224 -0.00028 0.00019 -0.00017 72 3PY -0.00154 0.00007 -0.00024 0.00033 -0.00010 73 3PZ 0.00019 -0.00043 -0.00062 0.00009 0.00001 74 4XX -0.00003 0.00019 -0.00005 0.00000 0.00000 75 4YY 0.00007 0.00002 0.00001 0.00000 0.00000 76 4ZZ -0.00001 -0.00012 0.00001 0.00000 0.00000 77 4XY 0.00002 -0.00003 0.00000 0.00001 0.00000 78 4XZ 0.00002 0.00001 -0.00003 0.00000 0.00000 79 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00005 0.00000 0.00000 0.00000 0.00000 81 2S -0.00055 0.00000 -0.00001 0.00000 0.00000 82 2PX -0.00032 0.00000 0.00001 -0.00001 0.00000 83 2PY 0.00000 0.00041 0.00000 0.00000 0.00000 84 2PZ -0.00002 0.00000 0.00008 0.00000 0.00000 85 3S -0.00203 -0.00002 0.00002 -0.00033 0.00003 86 3PX -0.00327 0.00000 0.00012 -0.00015 0.00005 87 3PY 0.00000 0.00191 0.00000 0.00000 0.00000 88 3PZ -0.00012 0.00000 -0.00014 0.00000 0.00000 89 4XX -0.00017 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00002 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00006 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00023 0.00005 0.00002 0.00000 0.00000 96 2S -0.00278 -0.00033 -0.00037 0.00001 0.00000 97 2PX -0.00382 -0.00040 -0.00199 0.00008 0.00000 98 2PY -0.00042 0.00003 0.00003 0.00001 0.00000 99 2PZ -0.00039 0.00028 0.00036 0.00000 0.00000 100 3S -0.00059 -0.00301 -0.00008 0.00000 -0.00003 101 3PX -0.00600 -0.00207 -0.00365 0.00033 -0.00054 102 3PY 0.00065 0.00097 0.00084 -0.00010 0.00001 103 3PZ -0.00065 0.00007 0.00093 0.00005 0.00022 104 4XX 0.00024 0.00013 -0.00004 0.00000 0.00000 105 4YY -0.00018 -0.00002 -0.00002 0.00000 0.00000 106 4ZZ -0.00002 0.00000 0.00002 0.00000 0.00000 107 4XY 0.00003 0.00000 -0.00001 0.00000 0.00000 108 4XZ 0.00009 0.00001 -0.00001 0.00000 0.00000 109 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00022 -0.00003 0.00078 0.00000 0.00000 111 2S -0.00037 0.00020 -0.00693 0.00022 -0.00016 112 2PX 0.00056 0.00055 0.00065 -0.00017 -0.00036 113 2PY 0.00024 0.00080 0.00016 -0.00001 0.00000 114 2PZ 0.00645 0.00055 -0.00052 0.00157 -0.00057 115 3S 0.00421 0.00217 -0.02829 0.00195 -0.00284 116 3PX -0.00255 0.00060 -0.00371 -0.00082 -0.00330 117 3PY 0.00033 -0.00396 -0.00070 0.00017 -0.00018 118 3PZ 0.00750 0.00167 -0.00056 0.00351 -0.00216 119 4XX -0.00015 -0.00002 0.00073 -0.00001 -0.00001 120 4YY -0.00026 -0.00003 -0.00020 -0.00001 0.00001 121 4ZZ 0.00074 0.00006 -0.00002 0.00005 -0.00001 122 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 123 4XZ 0.00003 0.00001 0.00009 0.00002 -0.00002 124 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 125 9 C 1S 0.00005 0.00001 0.00003 0.00000 0.00000 126 2S -0.00029 0.00001 -0.00042 0.00000 0.00000 127 2PX 0.00004 0.00086 -0.00100 -0.00001 0.00000 128 2PY -0.00046 0.00001 0.00001 0.00000 0.00000 129 2PZ -0.00044 0.00058 -0.00045 -0.00001 0.00000 130 3S -0.00114 0.00018 0.00356 -0.00009 0.00033 131 3PX -0.00021 0.00201 -0.00243 -0.00015 0.00027 132 3PY -0.00105 -0.00024 0.00219 -0.00017 0.00029 133 3PZ -0.00135 0.00162 0.00006 -0.00021 0.00017 134 4XX 0.00007 -0.00006 0.00005 0.00000 0.00000 135 4YY -0.00008 0.00008 -0.00002 0.00000 0.00000 136 4ZZ 0.00006 -0.00006 -0.00003 0.00000 0.00000 137 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00001 0.00003 0.00000 0.00000 0.00000 139 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00001 0.00004 0.00001 0.00000 0.00000 141 2S 0.00000 0.00057 0.00004 0.00000 0.00000 142 11 H 1S 0.00026 -0.00003 0.00004 0.00000 0.00000 143 2S 0.00156 -0.00087 0.00016 0.00002 0.00000 144 12 H 1S -0.00049 0.00023 -0.00157 -0.00001 0.00000 145 2S -0.00136 0.00113 -0.00224 -0.00019 0.00027 146 13 H 1S 0.00005 -0.00009 0.00001 0.00000 0.00000 147 2S 0.00023 -0.00047 0.00012 0.00001 -0.00002 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00001 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00006 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00002 0.00000 0.00000 0.00000 0.00000 153 3S -0.00034 0.00002 0.00004 0.00000 0.00000 154 3PX 0.00048 0.00004 -0.00001 0.00000 0.00000 155 3PY -0.00005 -0.00002 0.00000 0.00000 0.00000 156 3PZ -0.00017 0.00000 -0.00004 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00001 -0.00002 0.00000 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00003 -0.00001 -0.00001 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00003 -0.00001 -0.00001 0.00000 0.00000 169 2PX -0.00044 -0.00010 -0.00015 0.00000 0.00000 170 2PY 0.00034 -0.00003 0.00011 0.00000 0.00000 171 2PZ -0.00035 -0.00003 0.00001 0.00000 0.00000 172 3S 0.00049 -0.00051 0.00040 -0.00001 0.00000 173 3PX -0.00230 -0.00081 -0.00044 0.00001 0.00005 174 3PY 0.00145 -0.00009 0.00052 -0.00003 0.00000 175 3PZ -0.00165 -0.00027 0.00021 0.00001 0.00000 176 4XX -0.00002 0.00001 -0.00001 0.00000 0.00000 177 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 179 4XY -0.00002 0.00000 -0.00001 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00002 0.00002 0.00000 0.00000 0.00000 183 2S 0.00016 0.00027 0.00005 0.00000 0.00000 184 19 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 185 2S -0.00023 -0.00006 -0.00002 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01554 17 5XY 0.00000 0.02387 18 5XZ 0.00000 0.00000 0.01511 19 5YZ 0.00000 0.00000 0.00000 0.01903 20 2 O 1S 0.00002 0.00000 0.00000 -0.00022 2.08025 21 2S -0.00047 0.00005 0.00001 0.00388 -0.04373 22 2PX -0.00003 0.00933 0.00178 0.00009 0.00000 23 2PY 0.00063 -0.00001 0.00016 0.01160 0.00000 24 2PZ 0.00053 0.00013 -0.00001 -0.00040 0.00000 25 3S -0.00221 0.00012 0.00001 0.00257 -0.04316 26 3PX -0.00011 0.01771 0.00356 0.00007 0.00000 27 3PY 0.00321 0.00005 0.00015 0.00603 0.00000 28 3PZ -0.00291 0.00013 0.00011 0.00433 0.00000 29 4XX 0.00004 0.00000 0.00000 -0.00005 -0.00038 30 4YY 0.00045 0.00000 0.00003 0.00164 -0.00049 31 4ZZ -0.00010 0.00001 0.00000 -0.00005 -0.00042 32 4XY 0.00000 0.00129 0.00032 0.00002 0.00000 33 4XZ 0.00000 0.00036 0.00000 0.00000 0.00000 34 4YZ 0.00007 0.00002 0.00000 0.00001 0.00000 35 3 O 1S 0.00000 -0.00005 -0.00003 -0.00005 0.00000 36 2S 0.00014 0.00118 0.00078 0.00134 0.00000 37 2PX -0.00016 0.00156 0.00039 0.00243 0.00000 38 2PY 0.00019 0.00118 0.00328 0.00130 0.00000 39 2PZ -0.00058 0.00349 0.00019 0.00010 0.00000 40 3S -0.00040 0.00505 0.00105 0.00375 0.00000 41 3PX -0.00143 0.00110 0.00010 0.00322 0.00000 42 3PY 0.00037 0.00073 0.00469 0.00075 0.00001 43 3PZ -0.00308 0.00608 0.00003 0.00004 0.00000 44 4XX 0.00007 -0.00022 0.00004 -0.00012 0.00000 45 4YY 0.00014 -0.00015 0.00020 -0.00003 0.00000 46 4ZZ -0.00005 0.00022 -0.00003 -0.00002 0.00000 47 4XY 0.00000 0.00006 0.00004 0.00005 0.00000 48 4XZ 0.00000 0.00009 0.00002 0.00013 0.00000 49 4YZ -0.00002 0.00025 0.00012 0.00006 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00005 -0.00012 -0.00005 -0.00002 0.00000 56 3PX -0.00018 -0.00001 -0.00009 0.00002 0.00000 57 3PY 0.00012 -0.00006 0.00002 0.00000 0.00000 58 3PZ 0.00003 -0.00004 0.00000 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 67 2PX -0.00001 -0.00005 0.00000 -0.00002 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00007 0.00003 -0.00002 -0.00001 0.00000 71 3PX -0.00018 -0.00044 -0.00005 -0.00010 0.00000 72 3PY -0.00002 0.00008 -0.00001 0.00000 0.00000 73 3PZ -0.00001 0.00009 0.00004 -0.00004 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00006 0.00000 0.00000 0.00000 0.00000 86 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 87 3PY 0.00000 -0.00006 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX -0.00001 0.00003 0.00003 0.00001 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S -0.00006 0.00027 -0.00009 -0.00001 0.00000 101 3PX 0.00021 0.00046 -0.00008 -0.00003 0.00000 102 3PY -0.00004 -0.00009 -0.00018 -0.00002 0.00000 103 3PZ -0.00012 0.00002 0.00002 -0.00001 0.00001 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S -0.00001 0.00000 -0.00003 0.00000 0.00000 111 2S 0.00086 0.00001 0.00139 -0.00001 0.00000 112 2PX 0.00270 -0.00005 0.00186 -0.00004 0.00000 113 2PY 0.00000 0.00023 0.00007 0.00047 0.00000 114 2PZ 0.00094 -0.00002 0.00384 -0.00005 0.00000 115 3S 0.00535 -0.00030 0.00499 -0.00018 0.00000 116 3PX 0.00772 0.00001 0.00096 -0.00012 0.00000 117 3PY 0.00047 0.00110 0.00024 0.00171 0.00001 118 3PZ 0.00151 -0.00033 0.00282 -0.00005 -0.00001 119 4XX 0.00002 0.00001 0.00001 0.00001 0.00000 120 4YY -0.00001 0.00000 -0.00003 0.00000 0.00000 121 4ZZ 0.00003 0.00000 0.00005 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 123 4XZ 0.00007 0.00000 0.00017 -0.00001 0.00000 124 4YZ 0.00001 0.00003 0.00000 -0.00001 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 -0.00001 0.00001 0.00000 127 2PX 0.00001 0.00001 0.00001 0.00002 0.00000 128 2PY -0.00001 0.00000 -0.00001 0.00001 0.00000 129 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 130 3S -0.00043 -0.00001 -0.00027 -0.00016 0.00000 131 3PX -0.00008 0.00005 -0.00004 0.00007 0.00000 132 3PY -0.00054 -0.00002 -0.00028 -0.00002 0.00000 133 3PZ -0.00003 0.00009 -0.00006 -0.00006 0.00000 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S -0.00001 0.00005 0.00000 0.00001 0.00000 144 12 H 1S 0.00004 0.00000 -0.00002 0.00002 0.00000 145 2S 0.00001 -0.00007 -0.00023 0.00013 0.00000 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00001 0.00000 0.00001 -0.00001 0.00000 148 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00002 -0.00001 0.00000 0.00000 173 3PX -0.00004 0.00001 -0.00002 0.00002 0.00000 174 3PY 0.00001 0.00000 -0.00001 0.00000 0.00000 175 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2S 0.52271 22 2PX 0.00000 0.73973 23 2PY 0.00000 0.00000 0.56670 24 2PZ 0.00000 0.00000 0.00000 0.66489 25 3S 0.46752 0.00000 0.00000 0.00000 0.80457 26 3PX 0.00000 0.26787 0.00000 0.00000 0.00000 27 3PY 0.00000 0.00000 0.16089 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.23085 0.00000 29 4XX -0.00550 0.00000 0.00000 0.00000 -0.00856 30 4YY -0.00120 0.00000 0.00000 0.00000 -0.01042 31 4ZZ -0.00407 0.00000 0.00000 0.00000 -0.00782 32 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 33 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 3 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 0.00000 0.00000 0.00000 0.00010 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00018 38 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00060 39 2PZ 0.00000 0.00000 0.00000 0.00000 0.00007 40 3S 0.00013 -0.00051 -0.00018 -0.00011 0.00213 41 3PX 0.00006 -0.00010 -0.00007 -0.00009 0.00193 42 3PY -0.00012 -0.00073 -0.00167 -0.00014 -0.00583 43 3PZ 0.00003 -0.00011 0.00004 0.00012 0.00082 44 4XX 0.00000 0.00000 0.00000 0.00000 -0.00002 45 4YY 0.00000 0.00000 0.00000 0.00000 -0.00014 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 -0.00002 56 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 57 3PY 0.00000 0.00000 0.00000 0.00000 -0.00003 58 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00001 -0.00001 -0.00001 0.00000 -0.00012 71 3PX -0.00001 0.00005 0.00003 0.00000 -0.00015 72 3PY -0.00001 -0.00007 -0.00004 0.00000 0.00006 73 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00001 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 83 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00002 0.00003 0.00002 -0.00001 0.00034 86 3PX 0.00006 -0.00003 0.00003 0.00000 0.00007 87 3PY -0.00001 -0.00011 -0.00001 -0.00001 -0.00022 88 3PZ 0.00000 0.00002 0.00000 -0.00001 0.00002 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 -0.00008 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00006 100 3S 0.00000 0.00053 -0.00002 -0.00009 0.00036 101 3PX -0.00011 0.00052 -0.00005 -0.00053 -0.00059 102 3PY 0.00007 -0.00033 -0.00010 -0.00007 0.00024 103 3PZ -0.00015 0.00027 0.00000 0.00020 -0.00042 104 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 -0.00001 0.00001 112 2PX 0.00000 -0.00001 0.00000 -0.00002 -0.00005 113 2PY 0.00000 0.00000 0.00000 0.00000 -0.00015 114 2PZ 0.00000 -0.00002 0.00000 -0.00003 -0.00019 115 3S 0.00024 -0.00171 0.00075 -0.00165 0.00044 116 3PX 0.00014 -0.00017 0.00028 -0.00190 0.00006 117 3PY -0.00031 0.00090 -0.00013 0.00166 -0.00096 118 3PZ 0.00037 -0.00284 0.00072 -0.00101 0.00026 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 121 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 122 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 123 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 124 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00000 0.00000 -0.00001 0.00002 0.00003 131 3PX 0.00000 0.00000 0.00000 0.00001 0.00004 132 3PY 0.00000 0.00002 -0.00001 0.00004 0.00002 133 3PZ 0.00000 0.00000 -0.00002 0.00001 0.00014 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00005 -0.00005 0.00002 0.00005 0.00031 146 13 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 14 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 -0.00001 154 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 172 3S -0.00001 0.00009 0.00001 0.00002 0.00008 173 3PX -0.00002 0.00005 0.00004 0.00013 0.00023 174 3PY 0.00000 0.00003 0.00000 0.00000 0.00004 175 3PZ -0.00003 0.00007 0.00002 0.00001 -0.00012 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 -0.00001 -0.00004 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 3PX 0.38967 27 3PY 0.00000 0.18871 28 3PZ 0.00000 0.00000 0.32386 29 4XX 0.00000 0.00000 0.00000 0.00046 30 4YY 0.00000 0.00000 0.00000 0.00004 0.00381 31 4ZZ 0.00000 0.00000 0.00000 0.00008 -0.00027 32 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 33 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 3 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 36 2S -0.00014 -0.00009 -0.00005 0.00000 0.00000 37 2PX -0.00008 0.00001 -0.00008 0.00000 0.00000 38 2PY -0.00062 -0.00179 -0.00009 0.00000 0.00000 39 2PZ -0.00007 0.00007 0.00011 0.00000 0.00000 40 3S -0.00537 -0.00088 -0.00118 -0.00003 -0.00011 41 3PX -0.00023 0.00019 -0.00076 -0.00002 -0.00010 42 3PY -0.00480 -0.01095 -0.00078 0.00011 0.00002 43 3PZ -0.00080 0.00056 0.00178 -0.00001 -0.00001 44 4XX 0.00007 -0.00003 0.00001 0.00000 0.00000 45 4YY 0.00021 0.00001 0.00004 0.00000 0.00000 46 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00007 0.00000 0.00000 0.00000 48 4XZ 0.00000 -0.00001 0.00001 0.00000 0.00000 49 4YZ -0.00002 -0.00002 0.00002 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00004 -0.00001 0.00000 0.00000 0.00000 56 3PX 0.00006 0.00002 0.00009 0.00000 0.00000 57 3PY 0.00001 0.00005 -0.00007 0.00000 0.00000 58 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00001 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00003 0.00001 0.00000 0.00000 0.00000 68 2PY 0.00002 0.00002 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00021 -0.00012 0.00000 0.00000 0.00000 71 3PX 0.00051 0.00026 -0.00005 0.00000 0.00001 72 3PY -0.00073 -0.00025 0.00001 0.00000 -0.00001 73 3PZ 0.00008 -0.00001 0.00001 0.00000 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00001 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 83 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00053 0.00025 -0.00010 -0.00001 0.00000 86 3PX -0.00014 0.00013 0.00002 0.00000 0.00001 87 3PY -0.00097 -0.00005 -0.00008 0.00001 0.00000 88 3PZ 0.00020 -0.00003 -0.00012 0.00000 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00027 -0.00001 0.00000 0.00000 0.00000 97 2PX -0.00017 -0.00005 0.00001 0.00000 0.00000 98 2PY -0.00003 -0.00002 -0.00002 0.00000 0.00000 99 2PZ -0.00022 0.00001 -0.00002 0.00000 0.00000 100 3S 0.00405 -0.00016 -0.00058 0.00001 -0.00001 101 3PX 0.00330 -0.00032 -0.00243 0.00005 -0.00001 102 3PY -0.00181 -0.00073 -0.00036 -0.00001 0.00001 103 3PZ 0.00153 -0.00008 0.00080 0.00001 -0.00003 104 4XX -0.00004 0.00000 -0.00003 0.00000 0.00000 105 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 107 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 108 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00001 -0.00001 0.00002 0.00000 0.00000 111 2S -0.00027 0.00008 -0.00056 0.00000 0.00000 112 2PX -0.00034 0.00027 -0.00128 0.00000 0.00000 113 2PY 0.00001 -0.00006 -0.00023 0.00000 0.00000 114 2PZ -0.00153 0.00016 -0.00171 0.00000 0.00000 115 3S -0.01173 0.00490 -0.01080 -0.00001 0.00024 116 3PX -0.00049 0.00162 -0.00910 0.00002 0.00011 117 3PY 0.00434 -0.00013 0.00759 -0.00001 -0.00011 118 3PZ -0.01427 0.00353 -0.00460 -0.00001 0.00019 119 4XX 0.00001 -0.00003 -0.00001 0.00000 0.00000 120 4YY 0.00002 0.00000 0.00004 0.00000 0.00000 121 4ZZ -0.00001 0.00002 -0.00004 0.00000 0.00000 122 4XY 0.00001 0.00000 0.00003 0.00000 0.00000 123 4XZ 0.00000 0.00000 -0.00004 0.00000 0.00000 124 4YZ 0.00003 0.00000 0.00007 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00010 -0.00019 0.00040 0.00000 0.00000 131 3PX -0.00001 0.00002 0.00024 0.00000 0.00000 132 3PY 0.00035 -0.00011 0.00063 0.00000 0.00000 133 3PZ 0.00000 -0.00018 0.00018 0.00000 -0.00001 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S -0.00008 -0.00001 -0.00001 0.00000 0.00000 144 12 H 1S 0.00001 0.00001 -0.00005 0.00000 0.00000 145 2S -0.00032 0.00009 0.00049 0.00000 0.00001 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 148 14 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 -0.00009 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00003 -0.00001 -0.00001 0.00000 0.00000 169 2PX 0.00001 0.00000 0.00003 0.00000 0.00000 170 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 171 2PZ 0.00002 0.00001 0.00002 0.00000 0.00000 172 3S 0.00102 0.00010 0.00021 0.00000 -0.00001 173 3PX 0.00076 0.00033 0.00129 0.00000 -0.00003 174 3PY 0.00018 0.00000 -0.00002 0.00000 0.00000 175 3PZ 0.00097 0.00022 0.00016 0.00001 -0.00001 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00002 0.00000 -0.00011 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00004 0.00002 0.00003 0.00000 0.00000 31 32 33 34 35 31 4ZZ 0.00170 32 4XY 0.00000 0.00249 33 4XZ 0.00000 0.00000 0.00060 34 4YZ 0.00000 0.00000 0.00000 0.00212 35 3 O 1S 0.00000 0.00000 0.00000 0.00000 2.07880 36 2S 0.00000 0.00000 0.00000 0.00000 -0.04282 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 38 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 39 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 3S 0.00004 -0.00010 0.00001 -0.00003 -0.04510 41 3PX 0.00001 -0.00001 0.00000 -0.00002 0.00000 42 3PY 0.00010 -0.00008 0.00002 -0.00001 0.00000 43 3PZ 0.00000 -0.00002 0.00000 0.00003 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00000 -0.00059 45 4YY 0.00000 0.00000 0.00000 0.00000 -0.00042 46 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00040 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 -0.00005 56 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 57 3PY 0.00000 0.00000 0.00000 0.00000 -0.00006 58 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 67 2PX 0.00000 0.00000 0.00000 0.00000 -0.00038 68 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 69 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 70 3S 0.00000 0.00000 0.00000 0.00000 0.00165 71 3PX 0.00000 0.00000 0.00000 0.00000 0.00037 72 3PY 0.00000 -0.00001 0.00000 0.00000 0.00015 73 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00025 74 4XX 0.00000 0.00000 0.00000 0.00000 -0.00007 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 78 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00005 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00000 0.00000 0.00000 0.00000 -0.00004 86 3PX 0.00000 0.00000 0.00000 0.00000 -0.00006 87 3PY 0.00000 0.00000 0.00000 0.00000 -0.00007 88 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S -0.00002 0.00001 0.00002 0.00000 0.00000 101 3PX -0.00008 0.00000 0.00002 -0.00002 0.00001 102 3PY -0.00001 0.00003 -0.00001 0.00000 0.00000 103 3PZ 0.00001 0.00001 0.00001 0.00000 0.00000 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 3S -0.00015 -0.00010 -0.00008 -0.00007 -0.00003 116 3PX -0.00010 0.00000 0.00000 -0.00009 -0.00001 117 3PY 0.00017 0.00001 0.00006 0.00002 0.00002 118 3PZ -0.00002 -0.00015 -0.00008 0.00000 -0.00005 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00014 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 146 13 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 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00001 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.51063 37 2PX 0.00000 0.57093 38 2PY 0.00000 0.00000 0.73212 39 2PZ 0.00000 0.00000 0.00000 0.69557 40 3S 0.48659 0.00000 0.00000 0.00000 0.89608 41 3PX 0.00000 0.17828 0.00000 0.00000 0.00000 42 3PY 0.00000 0.00000 0.25727 0.00000 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.25178 0.00000 44 4XX 0.00134 0.00000 0.00000 0.00000 -0.00290 45 4YY -0.00447 0.00000 0.00000 0.00000 -0.00922 46 4ZZ -0.00585 0.00000 0.00000 0.00000 -0.01117 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 51 2S -0.00001 0.00000 -0.00003 -0.00005 -0.00045 52 2PX -0.00002 0.00000 -0.00002 0.00000 -0.00132 53 2PY 0.00000 -0.00001 -0.00001 -0.00005 -0.00007 54 2PZ -0.00003 -0.00002 -0.00007 -0.00014 -0.00075 55 3S 0.00093 -0.00016 -0.00028 -0.00211 0.00514 56 3PX -0.00052 -0.00016 0.00012 0.00066 -0.00439 57 3PY 0.00088 -0.00013 0.00000 -0.00095 0.00376 58 3PZ -0.00017 -0.00022 -0.00168 -0.00327 -0.00131 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00004 61 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 63 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00001 -0.00015 0.00000 -0.00003 0.00147 66 2S 0.00033 0.01007 0.00038 0.00185 -0.01233 67 2PX 0.00826 0.03669 0.00134 0.00863 0.00683 68 2PY 0.00055 0.00215 -0.00026 0.00049 0.00111 69 2PZ 0.00089 0.00737 0.00027 -0.00033 -0.00229 70 3S -0.02369 0.00834 -0.00096 0.00367 -0.08691 71 3PX -0.00465 0.00788 0.00157 0.00290 -0.02452 72 3PY -0.00183 0.00167 0.00557 0.00023 -0.00409 73 3PZ 0.00285 0.00237 0.00025 0.00392 0.00137 74 4XX 0.00203 0.00216 0.00074 0.00193 0.00460 75 4YY -0.00014 -0.00033 0.00006 -0.00006 -0.00109 76 4ZZ -0.00001 -0.00013 -0.00005 0.00007 0.00002 77 4XY 0.00015 0.00090 0.00090 0.00016 0.00012 78 4XZ 0.00117 0.00217 0.00019 0.00000 0.00154 79 4YZ 0.00004 0.00023 0.00019 0.00000 0.00005 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 81 2S -0.00001 -0.00004 -0.00002 0.00000 -0.00021 82 2PX -0.00003 -0.00012 -0.00004 -0.00001 -0.00188 83 2PY 0.00000 -0.00005 -0.00002 0.00000 0.00030 84 2PZ -0.00001 -0.00001 0.00000 0.00000 -0.00047 85 3S 0.00074 -0.00113 -0.00107 -0.00043 0.00383 86 3PX 0.00100 -0.00092 0.00016 -0.00071 0.00109 87 3PY 0.00109 -0.00137 -0.00010 -0.00003 0.00537 88 3PZ -0.00023 -0.00066 -0.00030 -0.00005 -0.00248 89 4XX 0.00000 0.00001 0.00000 0.00000 0.00007 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 91 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 92 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 97 2PX 0.00000 0.00000 0.00000 0.00000 -0.00003 98 2PY 0.00000 0.00000 0.00000 0.00000 -0.00015 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 100 3S 0.00001 0.00000 -0.00020 -0.00015 -0.00122 101 3PX -0.00011 0.00006 0.00015 -0.00046 -0.00126 102 3PY 0.00005 -0.00002 0.00008 -0.00058 -0.00096 103 3PZ 0.00003 -0.00027 -0.00027 0.00030 0.00062 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 106 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 111 2S 0.00000 0.00000 0.00000 -0.00001 0.00008 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00005 113 2PY 0.00000 0.00000 0.00000 -0.00001 0.00004 114 2PZ 0.00000 0.00000 -0.00002 -0.00006 -0.00007 115 3S 0.00051 -0.00003 -0.00040 0.00021 0.00593 116 3PX 0.00012 0.00013 -0.00011 -0.00040 0.00065 117 3PY -0.00032 0.00009 0.00011 -0.00003 -0.00154 118 3PZ 0.00069 -0.00008 -0.00091 0.00060 0.00739 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 127 2PX 0.00000 0.00000 0.00000 0.00000 -0.00004 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00002 129 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00025 130 3S 0.00002 -0.00006 -0.00001 -0.00018 0.00033 131 3PX -0.00003 0.00009 -0.00002 -0.00023 -0.00017 132 3PY 0.00003 0.00000 -0.00014 0.00008 0.00027 133 3PZ -0.00014 -0.00019 -0.00003 -0.00081 -0.00137 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 141 2S 0.00004 0.00002 0.00009 0.00008 0.00052 142 11 H 1S -0.00008 -0.00012 -0.00005 -0.00001 -0.00269 143 2S -0.00218 -0.00252 -0.00122 -0.00031 -0.00814 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 0.00002 0.00008 -0.00001 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00002 148 14 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 -0.00001 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00002 0.00005 0.00002 0.00000 0.00025 154 3PX 0.00000 -0.00009 0.00000 0.00000 -0.00031 155 3PY -0.00001 0.00008 0.00001 0.00000 0.00017 156 3PZ 0.00000 -0.00001 0.00000 0.00001 -0.00005 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00004 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00002 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00004 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 3PX 0.22996 42 3PY 0.00000 0.36342 43 3PZ 0.00000 0.00000 0.36848 44 4XX 0.00000 0.00000 0.00000 0.00131 45 4YY 0.00000 0.00000 0.00000 0.00011 0.00132 46 4ZZ 0.00000 0.00000 0.00000 -0.00011 -0.00014 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00001 0.00002 0.00008 0.00000 0.00000 51 2S -0.00005 -0.00094 -0.00216 0.00000 0.00001 52 2PX -0.00018 -0.00045 -0.00034 0.00000 0.00000 53 2PY -0.00029 -0.00004 -0.00114 0.00000 0.00000 54 2PZ -0.00014 -0.00163 -0.00315 -0.00001 0.00001 55 3S -0.00037 -0.00159 -0.01091 -0.00003 0.00009 56 3PX -0.00004 0.00036 0.00164 0.00003 -0.00002 57 3PY -0.00025 -0.00049 -0.00324 -0.00001 -0.00001 58 3PZ -0.00038 -0.00624 -0.01047 -0.00007 0.00027 59 4XX -0.00002 0.00000 0.00001 0.00000 0.00000 60 4YY 0.00007 -0.00001 -0.00002 0.00000 0.00000 61 4ZZ 0.00012 -0.00004 0.00007 0.00000 0.00000 62 4XY 0.00001 0.00000 0.00005 0.00000 0.00000 63 4XZ 0.00005 0.00007 0.00023 0.00000 0.00000 64 4YZ 0.00002 0.00000 -0.00004 0.00000 0.00000 65 5 C 1S -0.00190 -0.00002 -0.00042 -0.00014 0.00000 66 2S 0.02220 0.00051 0.00442 0.00210 -0.00014 67 2PX 0.04258 0.00053 0.01400 0.00017 -0.00040 68 2PY 0.00274 -0.00308 0.00080 0.00014 0.00003 69 2PZ 0.01065 0.00033 -0.00503 0.00139 0.00002 70 3S 0.01314 -0.00276 0.00790 0.00221 0.00003 71 3PX 0.00680 0.00232 0.00403 0.00009 -0.00019 72 3PY 0.00225 0.01367 0.00031 0.00002 -0.00001 73 3PZ 0.00380 0.00040 0.01108 0.00089 0.00022 74 4XX 0.00276 0.00111 0.00339 -0.00002 -0.00011 75 4YY -0.00174 -0.00010 -0.00038 -0.00001 0.00002 76 4ZZ -0.00026 -0.00023 -0.00072 0.00002 0.00002 77 4XY 0.00055 0.00227 0.00014 0.00001 -0.00001 78 4XZ 0.00125 0.00013 0.00069 0.00007 -0.00002 79 4YZ 0.00020 0.00048 0.00011 -0.00002 0.00000 80 6 C 1S 0.00006 0.00003 0.00000 0.00000 0.00000 81 2S -0.00184 -0.00090 0.00008 0.00001 0.00000 82 2PX -0.00348 -0.00109 -0.00047 0.00004 0.00000 83 2PY -0.00094 -0.00023 -0.00004 0.00002 0.00000 84 2PZ -0.00063 -0.00016 0.00000 0.00001 0.00000 85 3S -0.00548 -0.00559 -0.00219 0.00007 -0.00007 86 3PX -0.00381 0.00059 -0.00272 0.00011 0.00012 87 3PY -0.00388 0.00163 0.00011 0.00002 -0.00011 88 3PZ -0.00308 -0.00121 -0.00022 0.00008 0.00000 89 4XX 0.00039 0.00007 0.00012 0.00000 0.00000 90 4YY -0.00018 -0.00004 -0.00001 0.00000 0.00000 91 4ZZ -0.00003 -0.00001 0.00000 0.00000 0.00000 92 4XY 0.00003 -0.00001 0.00001 0.00000 0.00000 93 4XZ 0.00010 0.00005 0.00000 0.00000 0.00000 94 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00006 -0.00001 -0.00009 0.00000 0.00000 97 2PX -0.00001 -0.00013 -0.00009 0.00000 0.00000 98 2PY -0.00009 0.00000 -0.00019 0.00000 0.00000 99 2PZ -0.00010 -0.00008 0.00003 0.00000 0.00000 100 3S 0.00020 -0.00126 -0.00142 0.00004 0.00003 101 3PX 0.00025 0.00059 -0.00263 0.00004 0.00003 102 3PY -0.00016 0.00030 -0.00348 0.00009 0.00005 103 3PZ -0.00125 -0.00141 0.00139 -0.00001 -0.00003 104 4XX 0.00000 0.00001 -0.00001 0.00000 0.00000 105 4YY -0.00001 -0.00002 0.00001 0.00000 0.00000 106 4ZZ -0.00001 0.00001 0.00001 0.00000 0.00000 107 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 111 2S -0.00001 -0.00018 -0.00068 0.00000 0.00000 112 2PX 0.00005 -0.00005 -0.00009 0.00000 0.00000 113 2PY 0.00001 -0.00005 -0.00035 0.00000 0.00000 114 2PZ 0.00000 -0.00104 -0.00253 0.00000 0.00000 115 3S -0.00022 -0.00247 0.00308 -0.00013 -0.00007 116 3PX 0.00054 -0.00046 -0.00166 0.00000 0.00000 117 3PY 0.00038 -0.00001 -0.00027 -0.00004 0.00002 118 3PZ -0.00040 -0.00415 0.00351 -0.00034 -0.00018 119 4XX 0.00000 -0.00002 -0.00007 0.00000 0.00000 120 4YY 0.00000 0.00001 -0.00003 0.00000 0.00000 121 4ZZ 0.00000 0.00003 0.00014 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 124 4YZ 0.00000 0.00001 0.00010 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S -0.00001 -0.00001 -0.00020 0.00000 0.00000 127 2PX 0.00004 -0.00001 -0.00030 0.00000 0.00000 128 2PY 0.00001 -0.00001 0.00003 0.00000 0.00000 129 2PZ -0.00014 -0.00003 -0.00090 0.00000 0.00000 130 3S -0.00045 -0.00010 -0.00104 0.00001 0.00001 131 3PX 0.00072 -0.00008 -0.00123 0.00000 0.00000 132 3PY -0.00001 -0.00087 0.00043 0.00000 0.00000 133 3PZ -0.00107 -0.00013 -0.00407 0.00002 0.00001 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 -0.00001 -0.00006 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 139 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 140 10 H 1S 0.00002 0.00001 0.00002 0.00000 0.00000 141 2S 0.00025 0.00083 0.00083 0.00000 -0.00001 142 11 H 1S -0.00247 -0.00103 -0.00031 0.00011 0.00002 143 2S -0.00903 -0.00451 -0.00139 0.00013 0.00020 144 12 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 145 2S 0.00001 0.00034 0.00112 0.00000 0.00000 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00001 -0.00014 0.00000 0.00000 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00002 0.00000 0.00000 0.00000 0.00000 150 2PX -0.00004 -0.00001 0.00000 0.00000 0.00000 151 2PY 0.00005 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 153 3S 0.00073 0.00026 -0.00001 -0.00001 0.00000 154 3PX -0.00107 0.00003 -0.00002 -0.00001 0.00001 155 3PY 0.00093 0.00005 0.00002 -0.00001 0.00000 156 3PZ -0.00015 -0.00003 0.00013 0.00000 0.00000 157 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00005 -0.00001 0.00000 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00008 0.00002 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 -0.00006 0.00000 0.00000 173 3PX 0.00001 -0.00001 0.00009 0.00000 0.00000 174 3PY -0.00004 0.00002 -0.00009 0.00000 0.00000 175 3PZ 0.00007 0.00001 -0.00001 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4ZZ 0.00216 47 4XY 0.00000 0.00071 48 4XZ 0.00000 0.00000 0.00124 49 4YZ 0.00000 0.00000 0.00000 0.00151 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 2.05364 51 2S 0.00000 0.00000 0.00001 0.00001 -0.01411 52 2PX 0.00001 0.00000 0.00000 0.00001 0.00000 53 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 54 2PZ 0.00000 0.00001 0.00005 0.00003 0.00000 55 3S -0.00024 0.00001 0.00001 0.00006 -0.03023 56 3PX 0.00012 0.00000 0.00000 0.00008 0.00000 57 3PY -0.00009 0.00000 0.00000 0.00000 0.00000 58 3PZ -0.00028 0.00002 0.00006 0.00006 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 -0.00100 60 4YY 0.00000 0.00000 0.00000 0.00000 -0.00159 61 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00125 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00001 -0.00001 -0.00006 0.00000 0.00000 66 2S 0.00018 0.00006 0.00094 0.00002 -0.00018 67 2PX 0.00100 -0.00021 0.00222 0.00003 -0.00003 68 2PY 0.00000 0.00088 0.00018 0.00011 -0.00032 69 2PZ 0.00000 0.00004 0.00007 0.00002 -0.00114 70 3S 0.00115 -0.00007 0.00041 -0.00001 -0.00077 71 3PX 0.00125 -0.00003 0.00017 0.00004 -0.00007 72 3PY 0.00002 0.00064 0.00005 0.00015 0.00015 73 3PZ -0.00035 0.00002 0.00019 -0.00002 -0.00150 74 4XX 0.00014 0.00001 0.00011 -0.00001 0.00000 75 4YY -0.00001 0.00000 -0.00003 0.00000 0.00000 76 4ZZ -0.00002 0.00001 0.00000 0.00000 -0.00009 77 4XY 0.00000 0.00000 0.00003 0.00007 0.00000 78 4XZ 0.00001 -0.00003 -0.00002 0.00000 0.00000 79 4YZ 0.00000 0.00002 0.00000 0.00000 -0.00008 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00001 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00003 -0.00001 0.00000 0.00000 83 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 85 3S -0.00008 0.00001 -0.00003 -0.00004 0.00008 86 3PX -0.00013 0.00001 -0.00002 -0.00001 0.00002 87 3PY -0.00002 0.00000 -0.00004 0.00000 0.00028 88 3PZ 0.00002 0.00002 0.00001 0.00000 0.00001 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S -0.00002 -0.00002 -0.00001 -0.00002 0.00001 101 3PX -0.00007 0.00001 0.00001 -0.00002 0.00000 102 3PY -0.00009 0.00001 -0.00002 -0.00001 0.00002 103 3PZ 0.00001 -0.00001 -0.00001 0.00000 0.00000 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 3S 0.00008 0.00000 0.00000 0.00002 0.00006 116 3PX -0.00004 0.00000 0.00002 -0.00001 0.00003 117 3PY 0.00005 0.00000 0.00001 0.00002 0.00017 118 3PZ 0.00025 0.00000 0.00000 0.00007 0.00001 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 -0.00079 127 2PX 0.00000 0.00000 0.00000 0.00000 -0.00079 128 2PY 0.00000 0.00000 0.00000 0.00000 -0.00117 129 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00179 130 3S -0.00005 0.00000 -0.00002 0.00000 -0.00037 131 3PX -0.00003 0.00000 0.00000 0.00000 -0.00045 132 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00066 133 3PZ -0.00007 0.00000 -0.00003 0.00001 -0.00087 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 136 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 137 4XY 0.00000 0.00000 0.00000 0.00000 -0.00005 138 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00009 139 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00016 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00210 141 2S 0.00000 -0.00001 0.00000 0.00000 -0.00137 142 11 H 1S 0.00000 0.00007 0.00001 0.00000 0.00000 143 2S 0.00010 0.00017 0.00005 0.00002 0.00012 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00001 0.00000 0.00000 0.00000 0.00000 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00020 148 14 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 0.00000 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.33043 52 2PX 0.00000 0.35801 53 2PY 0.00000 0.00000 0.41015 54 2PZ 0.00000 0.00000 0.00000 0.40523 55 3S 0.21427 0.00000 0.00000 0.00000 0.25807 56 3PX 0.00000 0.11725 0.00000 0.00000 0.00000 57 3PY 0.00000 0.00000 0.08336 0.00000 0.00000 58 3PZ 0.00000 0.00000 0.00000 0.08901 0.00000 59 4XX -0.00912 0.00000 0.00000 0.00000 -0.00648 60 4YY 0.00182 0.00000 0.00000 0.00000 0.00333 61 4ZZ -0.00393 0.00000 0.00000 0.00000 -0.00327 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00023 -0.00001 -0.00029 -0.00109 0.00159 66 2S 0.00557 0.00033 0.00532 0.02240 -0.00451 67 2PX 0.00061 0.00289 0.00019 0.00196 0.00107 68 2PY 0.00668 0.00022 0.00005 0.02022 0.00466 69 2PZ 0.02191 0.00191 0.01679 0.04778 0.02904 70 3S 0.00933 -0.00083 0.00848 0.02212 -0.02565 71 3PX 0.00083 0.00517 0.00016 0.00074 0.00103 72 3PY 0.00082 0.00061 -0.00121 0.00974 0.00226 73 3PZ 0.01483 0.00059 0.00752 0.01082 0.01215 74 4XX -0.00042 0.00001 -0.00023 -0.00090 -0.00102 75 4YY -0.00014 -0.00002 -0.00018 -0.00007 -0.00023 76 4ZZ 0.00194 0.00009 0.00192 0.00046 0.00246 77 4XY 0.00000 0.00023 0.00000 0.00003 0.00002 78 4XZ 0.00007 0.00108 0.00006 0.00014 -0.00004 79 4YZ 0.00131 0.00004 -0.00003 0.00202 0.00088 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00008 81 2S -0.00006 -0.00005 -0.00015 -0.00007 -0.00090 82 2PX -0.00004 0.00000 -0.00012 -0.00008 -0.00076 83 2PY -0.00023 0.00002 -0.00025 -0.00023 -0.00203 84 2PZ -0.00004 0.00001 0.00002 -0.00001 -0.00093 85 3S -0.00105 0.00020 -0.00194 -0.00066 0.00040 86 3PX 0.00022 -0.00004 -0.00049 0.00068 0.00178 87 3PY -0.00370 0.00027 -0.00275 -0.00177 -0.00499 88 3PZ -0.00006 0.00017 0.00098 0.00002 -0.00086 89 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00005 90 4YY 0.00000 0.00002 0.00003 0.00001 -0.00005 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 92 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 93 4XZ 0.00000 0.00000 0.00001 0.00001 0.00002 94 4YZ 0.00001 0.00002 0.00004 0.00002 0.00011 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 96 2S 0.00000 0.00000 -0.00002 0.00000 -0.00027 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY -0.00001 -0.00001 -0.00010 0.00000 -0.00085 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 100 3S -0.00042 -0.00006 -0.00142 0.00000 -0.00250 101 3PX 0.00000 -0.00002 -0.00006 0.00001 0.00006 102 3PY -0.00074 0.00005 -0.00102 -0.00005 -0.00216 103 3PZ 0.00001 0.00000 -0.00001 -0.00021 0.00006 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 105 4YY 0.00000 0.00000 0.00000 0.00000 -0.00005 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00007 111 2S -0.00010 -0.00004 -0.00030 -0.00003 -0.00022 112 2PX -0.00005 0.00003 -0.00020 -0.00004 -0.00046 113 2PY -0.00037 -0.00033 -0.00061 -0.00008 -0.00334 114 2PZ 0.00000 -0.00002 0.00004 0.00000 -0.00067 115 3S -0.00134 -0.00123 -0.00268 0.00017 -0.00261 116 3PX -0.00024 -0.00022 -0.00115 -0.00017 -0.00134 117 3PY -0.00295 -0.00267 -0.00390 -0.00026 -0.00918 118 3PZ -0.00009 -0.00014 0.00096 -0.00031 -0.00223 119 4XX 0.00000 0.00000 0.00001 0.00000 0.00005 120 4YY 0.00002 0.00007 0.00004 0.00001 0.00009 121 4ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00003 122 4XY 0.00001 -0.00002 0.00009 0.00002 0.00010 123 4XZ 0.00000 0.00001 0.00000 0.00000 0.00001 124 4YZ 0.00001 0.00001 0.00002 0.00000 0.00004 125 9 C 1S -0.00079 -0.00074 -0.00115 -0.00186 -0.00004 126 2S 0.01413 0.00927 0.01472 0.02478 0.00922 127 2PX 0.01006 0.00462 0.01942 0.02731 0.00880 128 2PY 0.01589 0.02004 0.00103 0.01994 0.00724 129 2PZ 0.02303 0.02670 0.01616 0.01111 0.01338 130 3S 0.01170 0.00875 0.01104 0.01511 -0.00549 131 3PX 0.00508 0.02435 0.00904 0.01164 0.00745 132 3PY 0.00746 0.00874 0.00064 0.00520 0.00075 133 3PZ 0.01227 0.01305 0.00177 -0.00043 0.00582 134 4XX -0.00029 -0.00015 -0.00008 0.00010 0.00007 135 4YY -0.00033 0.00000 -0.00061 -0.00001 0.00011 136 4ZZ 0.00038 0.00083 0.00127 -0.00125 0.00002 137 4XY 0.00044 0.00003 -0.00002 0.00099 0.00016 138 4XZ 0.00077 0.00004 0.00125 0.00024 0.00026 139 4YZ 0.00147 0.00133 0.00005 0.00064 0.00050 140 10 H 1S 0.03297 0.00912 0.08713 0.00171 0.04396 141 2S 0.01428 0.00576 0.05204 0.00121 0.02912 142 11 H 1S -0.00012 -0.00007 0.00000 -0.00050 -0.00474 143 2S -0.00190 -0.00086 0.00001 -0.00665 -0.01524 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00012 145 2S 0.00012 0.00013 0.00024 0.00008 0.00101 146 13 H 1S -0.00020 -0.00010 -0.00002 -0.00060 -0.00239 147 2S -0.00277 -0.00114 -0.00009 -0.00825 -0.00645 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00004 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00014 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00002 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 153 3S 0.00005 0.00002 0.00004 0.00011 0.00073 154 3PX 0.00011 0.00005 0.00014 0.00014 0.00105 155 3PY -0.00003 -0.00015 -0.00006 -0.00005 -0.00016 156 3PZ -0.00008 -0.00008 -0.00012 -0.00003 -0.00059 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00009 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00001 0.00000 0.00000 0.00005 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00001 173 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 174 3PY 0.00000 0.00000 0.00002 0.00000 0.00012 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 3PX 0.13215 57 3PY 0.00000 0.06900 58 3PZ 0.00000 0.00000 0.07555 59 4XX 0.00000 0.00000 0.00000 0.00093 60 4YY 0.00000 0.00000 0.00000 -0.00003 0.00143 61 4ZZ 0.00000 0.00000 0.00000 0.00004 -0.00023 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00002 0.00069 -0.00029 0.00000 0.00001 66 2S -0.00004 0.00011 0.00999 -0.00017 -0.00021 67 2PX 0.00334 0.00006 0.00103 0.00001 -0.00001 68 2PY 0.00048 -0.00073 0.01238 -0.00015 -0.00017 69 2PZ 0.00094 0.00883 0.01171 -0.00054 -0.00018 70 3S -0.00150 -0.00214 0.00816 -0.00024 -0.00096 71 3PX 0.00544 -0.00005 0.00073 -0.00002 -0.00003 72 3PY 0.00057 -0.00317 0.00601 -0.00019 -0.00047 73 3PZ 0.00033 0.00332 0.00068 -0.00059 -0.00043 74 4XX -0.00003 -0.00008 -0.00203 0.00001 0.00000 75 4YY -0.00010 -0.00054 0.00031 0.00001 0.00001 76 4ZZ 0.00023 0.00100 0.00087 -0.00004 -0.00006 77 4XY 0.00031 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00085 -0.00004 0.00003 0.00000 -0.00002 79 4YZ 0.00001 0.00001 0.00032 -0.00002 0.00001 80 6 C 1S 0.00006 0.00017 0.00008 0.00000 0.00000 81 2S -0.00129 -0.00171 -0.00111 0.00000 0.00001 82 2PX 0.00003 -0.00110 -0.00054 0.00000 0.00002 83 2PY -0.00133 -0.00014 -0.00280 0.00001 0.00004 84 2PZ 0.00021 -0.00014 -0.00010 0.00000 -0.00001 85 3S -0.00097 -0.00089 -0.00241 0.00005 0.00015 86 3PX 0.00000 -0.00045 0.00155 -0.00001 0.00004 87 3PY -0.00215 -0.00061 -0.00489 0.00012 0.00019 88 3PZ 0.00049 0.00148 0.00025 0.00000 -0.00008 89 4XX -0.00006 -0.00015 -0.00002 0.00000 0.00000 90 4YY 0.00013 0.00013 -0.00005 0.00000 0.00000 91 4ZZ 0.00001 -0.00002 0.00007 0.00000 0.00000 92 4XY 0.00000 0.00002 0.00001 0.00000 0.00000 93 4XZ 0.00000 0.00001 0.00001 0.00000 0.00000 94 4YZ 0.00007 0.00013 0.00001 0.00000 0.00000 95 7 C 1S 0.00000 0.00004 0.00000 0.00000 0.00000 96 2S -0.00008 -0.00110 0.00002 0.00000 0.00000 97 2PX 0.00025 -0.00008 0.00000 0.00000 0.00000 98 2PY -0.00017 -0.00235 0.00004 0.00000 0.00000 99 2PZ -0.00001 0.00000 -0.00026 0.00000 0.00000 100 3S -0.00027 -0.00532 0.00004 0.00002 -0.00003 101 3PX 0.00021 -0.00010 0.00000 0.00000 0.00001 102 3PY 0.00011 -0.00180 -0.00010 0.00000 0.00010 103 3PZ -0.00001 0.00004 -0.00161 0.00000 0.00000 104 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 105 4YY 0.00001 0.00005 -0.00001 0.00000 0.00000 106 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 110 8 C 1S -0.00002 -0.00017 0.00003 0.00000 0.00000 111 2S 0.00012 -0.00042 -0.00034 0.00000 0.00003 112 2PX -0.00013 -0.00125 -0.00032 0.00000 0.00003 113 2PY -0.00209 -0.00074 -0.00080 0.00001 0.00015 114 2PZ -0.00043 -0.00042 0.00021 0.00000 -0.00001 115 3S -0.00309 0.00021 -0.00010 0.00005 0.00029 116 3PX -0.00259 -0.00410 -0.00049 -0.00001 0.00011 117 3PY -0.00638 -0.00183 -0.00132 0.00008 0.00080 118 3PZ -0.00091 0.00025 -0.00079 0.00002 -0.00009 119 4XX -0.00008 0.00012 0.00001 0.00000 0.00000 120 4YY 0.00040 -0.00001 -0.00002 0.00000 0.00000 121 4ZZ -0.00014 0.00001 0.00001 0.00000 0.00000 122 4XY 0.00002 0.00025 0.00005 0.00000 0.00000 123 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 124 4YZ 0.00004 0.00002 -0.00003 0.00000 0.00000 125 9 C 1S -0.00026 -0.00038 -0.00106 0.00001 0.00001 126 2S 0.00350 0.00729 0.01160 -0.00028 -0.00034 127 2PX 0.02318 0.00937 0.01197 -0.00014 0.00009 128 2PY 0.00874 0.00241 0.00577 0.00012 -0.00055 129 2PZ 0.01098 0.00031 -0.00079 -0.00003 0.00034 130 3S 0.00625 0.00400 0.00749 -0.00009 -0.00116 131 3PX 0.04942 0.00891 0.00927 -0.00085 0.00024 132 3PY 0.00660 0.00715 0.00035 0.00049 -0.00072 133 3PZ 0.01095 -0.00348 0.00224 0.00052 -0.00017 134 4XX -0.00085 0.00045 0.00056 -0.00001 0.00003 135 4YY 0.00050 -0.00078 -0.00009 0.00002 0.00005 136 4ZZ 0.00063 0.00018 -0.00102 0.00001 -0.00018 137 4XY 0.00017 -0.00002 0.00014 0.00000 0.00001 138 4XZ 0.00025 0.00017 -0.00001 0.00000 -0.00005 139 4YZ 0.00025 0.00007 -0.00002 -0.00002 -0.00001 140 10 H 1S 0.00428 0.04098 0.00066 -0.00061 0.00553 141 2S 0.00358 0.03483 0.00118 -0.00036 0.00486 142 11 H 1S -0.00010 -0.00012 -0.00302 0.00000 -0.00001 143 2S -0.00045 -0.00024 -0.00924 0.00010 -0.00022 144 12 H 1S 0.00009 0.00013 0.00008 0.00000 0.00000 145 2S 0.00083 0.00070 0.00064 0.00000 -0.00002 146 13 H 1S -0.00051 -0.00008 -0.00247 0.00000 -0.00001 147 2S -0.00140 -0.00002 -0.01072 0.00005 -0.00035 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00001 0.00002 0.00007 0.00000 0.00000 150 2PX 0.00002 0.00009 0.00021 0.00000 0.00000 151 2PY -0.00012 0.00001 -0.00002 0.00000 0.00000 152 2PZ -0.00011 -0.00004 -0.00007 0.00000 0.00000 153 3S 0.00013 0.00030 0.00089 0.00000 0.00000 154 3PX 0.00026 0.00060 0.00132 -0.00001 -0.00001 155 3PY -0.00099 -0.00019 -0.00041 0.00001 0.00000 156 3PZ -0.00065 -0.00038 -0.00033 0.00001 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00001 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00005 -0.00008 -0.00006 0.00000 0.00000 165 16 H 1S 0.00001 0.00000 0.00001 0.00000 0.00000 166 2S 0.00018 0.00004 0.00007 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00001 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00004 0.00020 0.00001 0.00000 0.00000 173 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00004 0.00038 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00002 -0.00008 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00002 -0.00002 0.00000 0.00000 0.00000 61 62 63 64 65 61 4ZZ 0.00137 62 4XY 0.00000 0.00061 63 4XZ 0.00000 0.00000 0.00047 64 4YZ 0.00000 0.00000 0.00000 0.00099 65 5 C 1S -0.00008 0.00000 0.00000 -0.00005 2.05286 66 2S 0.00172 0.00005 0.00006 0.00102 -0.01205 67 2PX 0.00009 0.00016 0.00059 0.00006 0.00000 68 2PY 0.00181 0.00000 0.00003 -0.00003 0.00000 69 2PZ 0.00000 0.00010 0.00000 0.00212 0.00000 70 3S 0.00226 0.00003 0.00007 0.00051 -0.04177 71 3PX 0.00002 0.00008 0.00025 0.00000 0.00000 72 3PY 0.00118 -0.00001 -0.00001 0.00004 0.00000 73 3PZ 0.00021 0.00002 0.00000 0.00023 0.00000 74 4XX -0.00001 0.00000 0.00001 -0.00002 -0.00107 75 4YY -0.00008 0.00000 0.00000 0.00000 -0.00119 76 4ZZ 0.00006 0.00000 0.00002 -0.00007 -0.00123 77 4XY -0.00002 0.00000 -0.00001 0.00000 0.00000 78 4XZ 0.00001 0.00002 -0.00006 -0.00001 0.00000 79 4YZ -0.00004 0.00000 -0.00001 0.00003 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00001 -0.00021 82 2PX 0.00000 0.00000 0.00000 0.00001 -0.00035 83 2PY -0.00002 0.00002 0.00001 0.00005 -0.00097 84 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00004 85 3S -0.00015 0.00002 0.00000 0.00005 0.00112 86 3PX 0.00002 0.00000 0.00000 0.00002 0.00093 87 3PY -0.00023 0.00005 0.00000 0.00005 0.00144 88 3PZ 0.00000 0.00004 0.00000 0.00000 -0.00012 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 -0.00007 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 -0.00006 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S 0.00001 0.00000 0.00000 0.00000 0.00001 101 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 102 3PY -0.00002 0.00001 0.00000 0.00000 -0.00024 103 3PZ 0.00000 0.00000 0.00000 -0.00002 0.00004 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00001 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 113 2PY -0.00002 0.00007 0.00000 0.00002 0.00000 114 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 3S -0.00013 0.00010 -0.00001 0.00001 0.00015 116 3PX 0.00001 0.00000 0.00000 0.00002 0.00006 117 3PY -0.00034 0.00016 -0.00002 0.00002 0.00009 118 3PZ 0.00001 0.00000 -0.00001 -0.00001 0.00014 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S -0.00004 -0.00005 -0.00009 -0.00016 0.00000 126 2S 0.00032 0.00045 0.00077 0.00147 0.00000 127 2PX 0.00057 0.00002 0.00004 0.00139 0.00000 128 2PY 0.00077 -0.00002 0.00101 0.00004 0.00000 129 2PZ -0.00137 0.00120 0.00030 0.00074 0.00000 130 3S 0.00099 0.00011 0.00030 0.00052 -0.00010 131 3PX 0.00077 0.00016 0.00024 0.00025 0.00001 132 3PY 0.00017 -0.00002 0.00015 0.00001 0.00000 133 3PZ -0.00104 0.00015 -0.00002 -0.00001 -0.00021 134 4XX 0.00000 0.00000 0.00000 -0.00002 0.00000 135 4YY -0.00015 0.00001 -0.00004 0.00000 0.00000 136 4ZZ 0.00008 -0.00006 0.00003 -0.00006 0.00000 137 4XY -0.00007 0.00000 0.00000 0.00002 0.00000 138 4XZ 0.00004 0.00000 0.00000 0.00002 0.00000 139 4YZ -0.00005 0.00002 0.00002 0.00000 0.00000 140 10 H 1S -0.00121 0.00118 0.00006 0.00025 0.00000 141 2S -0.00296 0.00019 0.00002 0.00004 0.00019 142 11 H 1S 0.00007 0.00000 0.00002 0.00000 -0.00194 143 2S 0.00036 0.00000 0.00006 -0.00002 -0.00161 144 12 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 13 H 1S 0.00011 -0.00001 0.00002 -0.00001 0.00000 147 2S 0.00089 -0.00003 0.00005 -0.00007 0.00000 148 14 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 0.00012 154 3PX 0.00001 0.00000 0.00000 0.00000 0.00008 155 3PY -0.00001 0.00000 0.00000 0.00000 0.00001 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00003 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.32326 67 2PX 0.00000 0.32028 68 2PY 0.00000 0.00000 0.42277 69 2PZ 0.00000 0.00000 0.00000 0.42071 70 3S 0.25483 0.00000 0.00000 0.00000 0.39321 71 3PX 0.00000 0.06363 0.00000 0.00000 0.00000 72 3PY 0.00000 0.00000 0.09615 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.07980 0.00000 74 4XX -0.00486 0.00000 0.00000 0.00000 -0.00716 75 4YY -0.00301 0.00000 0.00000 0.00000 0.00028 76 4ZZ -0.00199 0.00000 0.00000 0.00000 -0.00165 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S -0.00017 -0.00030 -0.00105 -0.00003 -0.00058 81 2S 0.00521 0.00605 0.02132 0.00044 0.00606 82 2PX 0.00650 0.00069 0.02137 0.00009 0.01485 83 2PY 0.01939 0.02062 0.04228 0.00182 0.02825 84 2PZ 0.00079 0.00032 0.00260 0.00105 0.00129 85 3S -0.00367 0.00398 0.02429 0.00135 -0.02292 86 3PX -0.00117 0.00074 0.00285 0.00063 -0.00524 87 3PY 0.00015 0.00765 0.00733 0.00024 -0.00941 88 3PZ 0.00097 0.00035 0.00163 0.00391 0.00295 89 4XX -0.00014 -0.00017 0.00008 0.00000 -0.00048 90 4YY 0.00169 0.00133 0.00019 0.00007 0.00341 91 4ZZ -0.00021 -0.00019 -0.00066 0.00002 -0.00081 92 4XY 0.00116 0.00006 0.00183 0.00015 0.00072 93 4XZ 0.00007 0.00001 0.00018 0.00023 0.00006 94 4YZ 0.00004 0.00010 0.00004 0.00083 0.00003 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00003 96 2S -0.00006 0.00000 -0.00021 -0.00005 -0.00020 97 2PX 0.00000 0.00000 0.00001 0.00000 0.00002 98 2PY -0.00018 -0.00001 -0.00053 -0.00015 -0.00362 99 2PZ -0.00009 0.00000 -0.00029 -0.00003 -0.00067 100 3S -0.00120 -0.00002 -0.00396 -0.00179 -0.00453 101 3PX 0.00006 -0.00016 0.00012 0.00004 0.00020 102 3PY 0.00165 0.00009 0.00264 -0.00125 0.00604 103 3PZ -0.00059 0.00000 -0.00144 -0.00025 -0.00078 104 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00009 105 4YY 0.00001 0.00000 0.00007 0.00001 0.00017 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00001 0.00000 0.00005 0.00001 0.00009 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00015 111 2S -0.00003 -0.00002 -0.00002 -0.00006 -0.00127 112 2PX -0.00001 0.00004 -0.00003 -0.00008 -0.00056 113 2PY -0.00005 -0.00005 0.00006 -0.00013 -0.00067 114 2PZ -0.00008 -0.00007 -0.00011 0.00006 -0.00010 115 3S -0.00169 -0.00026 -0.00031 -0.00078 -0.00906 116 3PX -0.00010 0.00019 -0.00028 -0.00097 -0.00108 117 3PY -0.00086 0.00032 0.00044 -0.00099 -0.00141 118 3PZ -0.00154 -0.00035 -0.00101 0.00089 -0.00169 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00006 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00005 121 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00003 122 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 124 4YZ 0.00000 0.00000 0.00001 0.00000 0.00004 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S -0.00010 -0.00003 0.00000 -0.00041 -0.00034 127 2PX -0.00006 0.00000 0.00000 -0.00022 -0.00101 128 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00006 129 2PZ -0.00032 -0.00006 0.00001 -0.00093 -0.00071 130 3S -0.00041 -0.00078 -0.00007 -0.00428 0.00185 131 3PX -0.00039 -0.00007 -0.00003 -0.00129 -0.00313 132 3PY -0.00002 -0.00001 -0.00015 -0.00009 0.00012 133 3PZ -0.00056 -0.00094 -0.00004 -0.00312 0.00306 134 4XX 0.00000 0.00000 0.00000 0.00000 -0.00005 135 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00015 136 4ZZ 0.00004 0.00003 0.00000 0.00021 0.00048 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00001 0.00000 0.00000 0.00005 0.00002 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00012 0.00000 -0.00027 -0.00019 -0.00294 141 2S -0.00268 0.00006 -0.00470 -0.00284 -0.01166 142 11 H 1S 0.03177 0.01804 0.03306 0.05186 0.04671 143 2S 0.01545 0.00929 0.01948 0.03104 0.03312 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00002 0.00003 0.00000 0.00001 0.00023 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00006 147 2S 0.00012 0.00002 0.00002 0.00046 0.00092 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00008 149 2S -0.00006 -0.00014 -0.00010 -0.00001 -0.00168 150 2PX -0.00011 -0.00022 -0.00033 -0.00002 -0.00308 151 2PY -0.00012 -0.00014 -0.00007 -0.00001 -0.00311 152 2PZ -0.00001 0.00000 -0.00002 -0.00002 -0.00027 153 3S -0.00171 -0.00270 -0.00225 -0.00033 -0.01120 154 3PX -0.00092 -0.00107 -0.00303 -0.00019 -0.00647 155 3PY -0.00067 -0.00045 0.00010 0.00008 -0.00475 156 3PZ -0.00019 -0.00011 -0.00031 -0.00047 -0.00134 157 4XX 0.00000 0.00001 0.00002 0.00000 0.00006 158 4YY 0.00001 0.00002 0.00001 0.00000 0.00025 159 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00008 160 4XY 0.00002 0.00005 0.00005 0.00000 0.00019 161 4XZ 0.00000 0.00000 -0.00001 0.00000 -0.00004 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00011 164 2S 0.00012 0.00019 0.00024 0.00000 0.00204 165 16 H 1S -0.00001 -0.00002 -0.00001 0.00000 -0.00052 166 2S -0.00053 -0.00065 -0.00050 0.00009 -0.00324 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00002 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00012 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 172 3S 0.00004 0.00001 0.00016 0.00001 0.00078 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00009 0.00002 0.00030 0.00004 0.00160 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00003 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00003 71 72 73 74 75 71 3PX 0.05087 72 3PY 0.00000 0.08744 73 3PZ 0.00000 0.00000 0.06499 74 4XX 0.00000 0.00000 0.00000 0.00263 75 4YY 0.00000 0.00000 0.00000 -0.00022 0.00121 76 4ZZ 0.00000 0.00000 0.00000 -0.00025 -0.00007 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S -0.00020 -0.00109 -0.00007 0.00000 -0.00006 81 2S 0.00318 0.01186 0.00012 -0.00006 0.00144 82 2PX 0.00148 0.01536 0.00071 -0.00028 0.00172 83 2PY 0.01348 0.01066 0.00154 0.00004 -0.00001 84 2PZ 0.00020 0.00208 0.00633 -0.00002 0.00019 85 3S 0.00020 0.00885 0.00021 0.00008 0.00170 86 3PX 0.00495 0.00047 -0.00023 -0.00040 0.00090 87 3PY 0.00681 0.00004 0.00014 0.00152 -0.00041 88 3PZ -0.00013 0.00225 0.00649 -0.00014 0.00025 89 4XX -0.00017 -0.00011 0.00010 0.00002 -0.00007 90 4YY 0.00082 0.00050 0.00012 -0.00011 0.00000 91 4ZZ -0.00051 -0.00061 -0.00007 0.00000 -0.00001 92 4XY -0.00006 0.00023 0.00001 0.00000 0.00001 93 4XZ -0.00002 0.00005 0.00007 0.00000 -0.00001 94 4YZ 0.00002 0.00001 0.00026 0.00001 0.00001 95 7 C 1S 0.00000 0.00011 0.00000 0.00000 0.00000 96 2S -0.00004 -0.00141 0.00010 0.00000 0.00001 97 2PX -0.00009 -0.00001 0.00002 0.00000 0.00000 98 2PY -0.00015 -0.00372 -0.00058 0.00000 0.00003 99 2PZ -0.00004 -0.00187 0.00031 0.00000 0.00003 100 3S -0.00014 -0.00937 -0.00223 -0.00002 0.00012 101 3PX -0.00040 0.00014 0.00007 0.00000 0.00000 102 3PY 0.00002 0.00402 -0.00109 -0.00027 0.00027 103 3PZ -0.00002 -0.00340 -0.00018 -0.00002 0.00011 104 4XX 0.00000 -0.00022 -0.00001 0.00000 0.00000 105 4YY 0.00001 0.00036 0.00015 0.00000 0.00000 106 4ZZ 0.00000 0.00006 -0.00005 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ -0.00002 0.00001 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00017 0.00001 0.00000 0.00000 110 8 C 1S 0.00004 0.00008 0.00014 0.00000 0.00000 111 2S -0.00027 -0.00044 -0.00119 0.00000 0.00000 112 2PX 0.00007 -0.00047 -0.00098 0.00000 0.00000 113 2PY -0.00026 0.00055 -0.00064 0.00000 0.00000 114 2PZ 0.00032 -0.00003 0.00110 0.00000 -0.00001 115 3S -0.00107 -0.00098 -0.00145 0.00012 -0.00006 116 3PX -0.00055 -0.00044 -0.00166 0.00005 0.00000 117 3PY 0.00071 0.00074 -0.00010 -0.00001 0.00004 118 3PZ 0.00016 -0.00058 0.00334 0.00011 -0.00019 119 4XX 0.00002 -0.00006 -0.00011 0.00000 0.00000 120 4YY -0.00005 0.00008 -0.00006 0.00000 0.00000 121 4ZZ 0.00000 -0.00010 0.00013 0.00000 0.00000 122 4XY 0.00000 -0.00001 -0.00001 0.00000 0.00000 123 4XZ 0.00001 -0.00002 0.00003 0.00000 0.00000 124 4YZ 0.00000 0.00004 0.00001 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00013 0.00000 0.00000 126 2S -0.00011 0.00004 -0.00253 0.00000 0.00000 127 2PX -0.00003 -0.00002 -0.00110 0.00000 -0.00001 128 2PY 0.00001 -0.00043 0.00003 0.00000 0.00000 129 2PZ 0.00046 0.00020 -0.00333 -0.00001 0.00000 130 3S -0.00140 -0.00009 -0.00660 -0.00006 -0.00004 131 3PX -0.00025 -0.00007 -0.00251 0.00004 -0.00014 132 3PY 0.00002 -0.00220 -0.00005 0.00000 0.00000 133 3PZ -0.00033 0.00016 -0.00347 -0.00018 0.00003 134 4XX -0.00002 0.00000 0.00001 0.00000 0.00000 135 4YY -0.00002 0.00000 -0.00033 0.00000 0.00000 136 4ZZ 0.00011 -0.00001 0.00082 0.00000 0.00000 137 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00007 0.00000 0.00000 139 4YZ 0.00000 -0.00006 0.00000 0.00000 0.00000 140 10 H 1S 0.00005 -0.00178 -0.00170 0.00000 0.00003 141 2S 0.00020 -0.00596 -0.00477 0.00020 0.00036 142 11 H 1S 0.00986 0.01545 0.02059 -0.00098 -0.00007 143 2S 0.00672 0.01290 0.01717 -0.00124 0.00018 144 12 H 1S -0.00001 -0.00001 -0.00001 0.00000 0.00000 145 2S 0.00012 -0.00001 0.00030 0.00000 0.00000 146 13 H 1S 0.00000 0.00002 0.00019 0.00000 0.00000 147 2S 0.00007 0.00018 0.00218 0.00000 0.00000 148 14 C 1S 0.00004 0.00005 0.00000 0.00000 0.00000 149 2S -0.00058 -0.00084 0.00000 0.00001 0.00000 150 2PX -0.00084 -0.00279 0.00079 0.00001 0.00001 151 2PY 0.00086 -0.00092 -0.00013 0.00004 -0.00001 152 2PZ 0.00061 -0.00063 -0.00007 0.00001 -0.00001 153 3S -0.00353 -0.00620 0.00003 0.00019 -0.00011 154 3PX -0.00192 -0.00475 0.00141 -0.00006 0.00014 155 3PY 0.00283 -0.00038 -0.00038 0.00037 -0.00013 156 3PZ 0.00118 -0.00155 0.00018 0.00014 -0.00008 157 4XX -0.00004 0.00011 0.00003 0.00000 0.00000 158 4YY 0.00012 0.00016 -0.00003 0.00000 0.00000 159 4ZZ -0.00003 -0.00010 -0.00001 0.00000 0.00000 160 4XY 0.00016 0.00011 0.00000 0.00000 0.00000 161 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 162 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 163 15 H 1S 0.00003 0.00013 0.00000 0.00000 0.00000 164 2S 0.00076 0.00178 -0.00002 -0.00001 0.00000 165 16 H 1S -0.00064 0.00002 -0.00031 0.00000 0.00000 166 2S -0.00246 -0.00073 -0.00064 -0.00001 -0.00001 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00001 0.00007 0.00000 0.00000 0.00000 169 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 170 2PY 0.00002 0.00028 -0.00001 0.00000 0.00000 171 2PZ 0.00000 -0.00001 0.00002 0.00000 0.00000 172 3S 0.00010 0.00159 0.00009 0.00000 0.00000 173 3PX -0.00008 -0.00006 0.00003 0.00000 0.00000 174 3PY 0.00013 0.00258 -0.00004 0.00000 0.00000 175 3PZ 0.00003 -0.00031 0.00005 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00011 -0.00001 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 0.00003 0.00000 0.00000 0.00000 76 77 78 79 80 76 4ZZ 0.00147 77 4XY 0.00000 0.00174 78 4XZ 0.00000 0.00000 0.00198 79 4YZ 0.00000 0.00000 0.00000 0.00165 80 6 C 1S 0.00000 -0.00008 0.00000 -0.00001 2.05315 81 2S -0.00038 0.00144 0.00001 0.00013 -0.01443 82 2PX -0.00021 0.00004 -0.00001 0.00019 0.00000 83 2PY -0.00069 0.00201 0.00012 0.00027 0.00000 84 2PZ 0.00002 0.00016 0.00028 0.00075 0.00000 85 3S -0.00096 0.00078 0.00007 0.00004 -0.02883 86 3PX -0.00011 -0.00006 0.00000 -0.00006 0.00000 87 3PY -0.00108 0.00030 0.00006 0.00005 0.00000 88 3PZ -0.00006 0.00002 0.00024 0.00027 0.00000 89 4XX -0.00001 -0.00001 0.00000 -0.00001 -0.00122 90 4YY 0.00001 0.00001 -0.00001 0.00002 -0.00121 91 4ZZ 0.00001 -0.00003 0.00000 0.00000 -0.00109 92 4XY -0.00002 0.00003 0.00000 -0.00001 0.00000 93 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 94 4YZ 0.00000 -0.00001 0.00001 -0.00008 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00001 -0.00028 97 2PX 0.00000 0.00000 0.00000 0.00000 -0.00039 98 2PY 0.00000 0.00000 0.00000 0.00005 -0.00057 99 2PZ 0.00000 0.00000 0.00000 0.00001 -0.00075 100 3S 0.00005 0.00000 0.00000 0.00013 -0.00012 101 3PX 0.00000 -0.00003 -0.00002 0.00000 -0.00037 102 3PY 0.00007 0.00000 0.00000 0.00018 0.00047 103 3PZ -0.00002 0.00000 0.00000 0.00003 -0.00025 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 106 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 107 4XY 0.00000 0.00000 0.00000 0.00000 -0.00004 108 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 109 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00007 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 114 2PZ 0.00001 0.00000 0.00000 0.00001 0.00000 115 3S -0.00008 0.00001 0.00001 0.00002 0.00005 116 3PX -0.00012 0.00001 0.00002 -0.00004 0.00012 117 3PY -0.00008 0.00004 -0.00005 0.00001 0.00000 118 3PZ -0.00001 0.00001 0.00002 0.00005 0.00004 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00003 0.00000 0.00001 0.00000 0.00000 127 2PX 0.00006 0.00000 -0.00001 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00011 0.00000 0.00008 0.00000 0.00000 130 3S 0.00028 0.00000 0.00010 0.00001 0.00001 131 3PX 0.00033 0.00000 0.00008 0.00000 0.00003 132 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 133 3PZ 0.00029 0.00000 0.00025 0.00000 0.00000 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00001 0.00000 0.00000 0.00003 0.00000 141 2S -0.00040 -0.00001 0.00002 0.00005 0.00000 142 11 H 1S 0.00077 0.00115 0.00196 0.00290 0.00000 143 2S 0.00089 0.00027 0.00041 0.00058 0.00016 144 12 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 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 0.00000 0.00000 0.00000 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00001 0.00000 0.00000 -0.00082 150 2PX 0.00000 0.00003 0.00001 0.00002 -0.00291 151 2PY 0.00000 0.00002 0.00000 0.00000 -0.00015 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00083 153 3S 0.00004 0.00001 0.00000 0.00004 -0.00172 154 3PX 0.00006 0.00005 0.00004 0.00007 -0.00245 155 3PY -0.00005 0.00002 -0.00002 -0.00001 -0.00012 156 3PZ 0.00000 -0.00001 0.00006 0.00004 -0.00061 157 4XX 0.00000 0.00000 0.00000 0.00000 -0.00016 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 161 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00015 162 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00021 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00003 -0.00003 0.00000 -0.00001 0.00023 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00009 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00013 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00003 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00001 81 82 83 84 85 81 2S 0.33865 82 2PX 0.00000 0.41330 83 2PY 0.00000 0.00000 0.38949 84 2PZ 0.00000 0.00000 0.00000 0.37529 85 3S 0.20177 0.00000 0.00000 0.00000 0.25301 86 3PX 0.00000 0.02964 0.00000 0.00000 0.00000 87 3PY 0.00000 0.00000 0.07262 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.08185 0.00000 89 4XX -0.00356 0.00000 0.00000 0.00000 -0.00267 90 4YY -0.00498 0.00000 0.00000 0.00000 -0.00246 91 4ZZ -0.00706 0.00000 0.00000 0.00000 -0.00423 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S -0.00029 -0.00036 -0.00056 -0.00079 0.00015 96 2S 0.00729 0.00645 0.01023 0.01387 0.00300 97 2PX 0.00694 0.00010 0.00844 0.01589 0.01105 98 2PY 0.01033 0.00596 0.00359 0.01897 0.01041 99 2PZ 0.01348 0.01389 0.02159 0.00755 0.01695 100 3S 0.00612 0.00777 0.01289 0.02090 0.00227 101 3PX 0.00560 0.00393 0.00453 0.00448 0.00509 102 3PY -0.00224 0.01063 0.00100 0.01126 0.00046 103 3PZ 0.00582 0.00647 0.00799 -0.00023 0.00442 104 4XX -0.00016 -0.00020 -0.00006 -0.00007 -0.00052 105 4YY 0.00004 0.00015 -0.00046 0.00035 0.00034 106 4ZZ 0.00055 0.00060 0.00097 -0.00066 0.00116 107 4XY 0.00060 -0.00001 0.00013 0.00115 0.00042 108 4XZ 0.00063 -0.00004 0.00080 0.00019 0.00023 109 4YZ 0.00112 0.00110 0.00012 0.00047 0.00061 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 111 2S -0.00006 -0.00013 -0.00001 -0.00012 -0.00125 112 2PX -0.00016 -0.00028 -0.00001 -0.00036 -0.00391 113 2PY 0.00000 0.00001 -0.00001 0.00001 0.00006 114 2PZ -0.00010 -0.00023 -0.00001 -0.00010 -0.00247 115 3S -0.00080 -0.00385 -0.00006 -0.00323 -0.00640 116 3PX -0.00159 -0.00246 0.00005 -0.00417 -0.01341 117 3PY 0.00002 0.00021 -0.00061 0.00011 0.00024 118 3PZ -0.00066 -0.00308 -0.00006 -0.00037 -0.00642 119 4XX 0.00000 0.00000 0.00000 0.00003 0.00007 120 4YY 0.00000 0.00000 0.00000 0.00000 -0.00003 121 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00007 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 123 4XZ 0.00002 0.00004 0.00000 0.00003 0.00008 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 126 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00027 127 2PX -0.00002 -0.00001 -0.00004 -0.00001 -0.00051 128 2PY -0.00001 -0.00001 0.00000 -0.00002 -0.00007 129 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00037 130 3S -0.00031 -0.00027 -0.00028 -0.00004 -0.00226 131 3PX -0.00079 -0.00016 -0.00098 -0.00030 -0.00177 132 3PY -0.00012 -0.00023 0.00001 -0.00013 0.00024 133 3PZ -0.00001 -0.00010 0.00014 0.00027 -0.00087 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 136 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 137 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00007 141 2S 0.00009 0.00003 0.00035 -0.00002 0.00108 142 11 H 1S -0.00014 0.00000 -0.00043 -0.00011 -0.00413 143 2S -0.00262 0.00014 -0.00609 -0.00204 -0.01291 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00009 145 2S 0.00009 0.00016 0.00005 0.00018 0.00124 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00001 0.00000 148 14 C 1S -0.00085 -0.00283 -0.00017 -0.00081 0.00007 149 2S 0.01519 0.03535 0.00209 0.01039 0.00461 150 2PX 0.03864 0.03388 0.00973 0.04426 0.01849 151 2PY 0.00185 0.00970 0.00787 -0.00272 0.00070 152 2PZ 0.01052 0.04427 -0.00235 0.00228 0.00706 153 3S 0.02358 0.04474 0.00309 0.01161 0.00027 154 3PX 0.02521 0.00319 0.00544 0.02337 0.00913 155 3PY 0.00087 0.00528 0.01378 -0.00200 -0.00027 156 3PZ 0.00608 0.02398 -0.00175 0.01614 0.00508 157 4XX 0.00188 -0.00081 0.00044 0.00231 0.00155 158 4YY -0.00071 -0.00114 0.00007 -0.00033 -0.00121 159 4ZZ -0.00043 -0.00009 -0.00002 -0.00018 -0.00014 160 4XY 0.00022 0.00029 0.00132 0.00021 0.00004 161 4XZ 0.00122 0.00198 0.00024 0.00001 0.00032 162 4YZ 0.00012 0.00036 0.00037 0.00000 0.00005 163 15 H 1S -0.00023 -0.00052 -0.00019 -0.00004 -0.00180 164 2S -0.00336 -0.00557 -0.00372 -0.00008 -0.00622 165 16 H 1S -0.00025 -0.00045 -0.00002 -0.00029 -0.00250 166 2S -0.00368 -0.00431 -0.00066 -0.00410 -0.00616 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00004 168 2S -0.00005 -0.00001 -0.00016 -0.00006 -0.00092 169 2PX 0.00000 0.00000 -0.00001 -0.00001 -0.00040 170 2PY -0.00016 -0.00001 -0.00037 -0.00023 -0.00221 171 2PZ -0.00006 -0.00002 -0.00011 -0.00001 -0.00163 172 3S -0.00177 0.00053 -0.00431 -0.00031 -0.00402 173 3PX -0.00003 -0.00030 0.00029 -0.00004 -0.00050 174 3PY -0.00208 0.00077 -0.00309 -0.00168 -0.00458 175 3PZ -0.00070 -0.00009 -0.00053 0.00025 -0.00247 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 177 4YY 0.00000 0.00000 0.00001 0.00001 -0.00004 178 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00012 179 4XY 0.00000 0.00000 0.00001 0.00001 0.00006 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00001 0.00001 0.00005 0.00001 0.00013 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 183 2S 0.00009 0.00004 0.00025 0.00013 0.00168 184 19 H 1S 0.00000 0.00000 -0.00001 0.00000 -0.00060 185 2S -0.00026 0.00006 -0.00080 -0.00029 -0.00409 86 87 88 89 90 86 3PX 0.05585 87 3PY 0.00000 0.07609 88 3PZ 0.00000 0.00000 0.08392 89 4XX 0.00000 0.00000 0.00000 0.00105 90 4YY 0.00000 0.00000 0.00000 -0.00004 0.00126 91 4ZZ 0.00000 0.00000 0.00000 -0.00007 0.00003 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00055 -0.00035 0.00024 0.00000 -0.00001 96 2S -0.00352 0.00712 0.00174 -0.00012 0.00003 97 2PX 0.00302 0.00603 0.00603 -0.00020 0.00012 98 2PY 0.00824 0.00129 0.01098 -0.00008 -0.00054 99 2PZ 0.00334 0.00935 -0.00012 0.00002 0.00024 100 3S -0.00467 0.00521 0.00551 -0.00031 -0.00030 101 3PX 0.00169 0.00117 0.00495 -0.00043 -0.00051 102 3PY -0.00109 0.00031 0.00057 -0.00063 0.00030 103 3PZ 0.00085 0.00352 0.00318 0.00057 0.00053 104 4XX 0.00003 -0.00059 0.00085 0.00001 -0.00004 105 4YY -0.00050 -0.00045 0.00031 0.00002 0.00002 106 4ZZ 0.00112 0.00093 -0.00065 -0.00005 -0.00002 107 4XY 0.00003 -0.00001 0.00026 0.00000 0.00000 108 4XZ -0.00011 0.00003 0.00000 0.00000 -0.00005 109 4YZ 0.00007 -0.00006 0.00000 -0.00007 0.00000 110 8 C 1S -0.00021 0.00002 0.00000 0.00000 0.00000 111 2S 0.00139 -0.00012 -0.00018 0.00001 0.00000 112 2PX 0.00197 -0.00032 -0.00142 0.00002 -0.00001 113 2PY -0.00017 -0.00051 -0.00006 0.00000 0.00000 114 2PZ -0.00090 -0.00017 -0.00012 0.00003 0.00000 115 3S 0.00534 -0.00043 0.00033 0.00023 -0.00010 116 3PX 0.00377 -0.00041 -0.00386 0.00026 -0.00033 117 3PY -0.00013 -0.00404 0.00010 -0.00001 0.00000 118 3PZ -0.00149 -0.00034 0.00078 0.00037 -0.00007 119 4XX 0.00002 -0.00001 0.00021 0.00000 0.00000 120 4YY -0.00014 0.00000 -0.00012 0.00000 0.00000 121 4ZZ 0.00006 0.00001 0.00003 0.00000 0.00000 122 4XY 0.00001 -0.00004 0.00001 0.00000 0.00000 123 4XZ 0.00014 0.00000 0.00004 0.00000 0.00000 124 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 125 9 C 1S 0.00002 0.00001 0.00001 0.00000 0.00000 126 2S -0.00036 -0.00034 -0.00038 0.00000 0.00000 127 2PX 0.00003 -0.00024 0.00006 0.00000 0.00000 128 2PY 0.00015 -0.00002 -0.00038 0.00000 0.00000 129 2PZ -0.00073 -0.00047 -0.00017 0.00000 0.00000 130 3S -0.00181 -0.00083 -0.00116 -0.00001 0.00002 131 3PX 0.00018 -0.00124 0.00003 -0.00007 0.00000 132 3PY -0.00014 -0.00004 -0.00064 -0.00001 0.00002 133 3PZ -0.00177 -0.00056 0.00013 0.00000 0.00000 134 4XX 0.00000 0.00000 0.00002 0.00000 0.00000 135 4YY 0.00003 0.00003 -0.00003 0.00000 0.00000 136 4ZZ 0.00003 -0.00004 0.00000 0.00000 0.00000 137 4XY 0.00001 0.00001 0.00001 0.00000 0.00000 138 4XZ 0.00001 -0.00001 0.00002 0.00000 0.00000 139 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 140 10 H 1S 0.00001 0.00016 -0.00005 0.00000 0.00000 141 2S 0.00001 0.00218 -0.00030 0.00000 -0.00001 142 11 H 1S -0.00046 -0.00336 0.00028 0.00000 0.00005 143 2S -0.00087 -0.00972 -0.00067 -0.00010 0.00020 144 12 H 1S 0.00007 0.00003 0.00008 0.00000 0.00000 145 2S 0.00063 0.00041 0.00093 0.00000 0.00000 146 13 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 147 2S 0.00015 0.00009 0.00018 0.00000 0.00000 148 14 C 1S -0.00018 0.00003 -0.00012 -0.00014 0.00001 149 2S 0.00417 0.00000 0.00195 0.00156 -0.00070 150 2PX -0.00461 0.00210 0.00857 -0.00157 -0.00116 151 2PY 0.00300 0.01214 -0.00201 0.00038 0.00008 152 2PZ 0.00761 -0.00255 0.01732 0.00186 -0.00031 153 3S -0.00676 -0.00087 -0.00171 0.00231 -0.00269 154 3PX 0.00570 0.00255 0.00983 -0.00143 -0.00142 155 3PY 0.00343 0.01802 -0.00225 0.00040 -0.00016 156 3PZ 0.00955 -0.00282 0.03524 0.00166 -0.00060 157 4XX -0.00139 0.00026 0.00106 -0.00010 0.00000 158 4YY 0.00079 -0.00005 0.00009 0.00003 0.00004 159 4ZZ 0.00089 -0.00008 -0.00059 0.00001 -0.00001 160 4XY 0.00001 0.00046 -0.00001 0.00002 -0.00001 161 4XZ 0.00002 -0.00002 0.00031 0.00003 -0.00006 162 4YZ 0.00000 0.00020 0.00005 0.00000 0.00000 163 15 H 1S 0.00166 0.00019 0.00029 0.00004 0.00003 164 2S 0.00296 -0.00195 0.00102 0.00013 0.00049 165 16 H 1S 0.00267 -0.00034 0.00124 0.00002 -0.00001 166 2S 0.00387 -0.00129 -0.00038 -0.00003 -0.00010 167 17 C 1S 0.00002 -0.00002 0.00002 0.00000 0.00000 168 2S -0.00033 0.00043 -0.00032 0.00000 0.00002 169 2PX -0.00027 -0.00021 -0.00002 0.00000 0.00000 170 2PY -0.00183 0.00251 -0.00342 -0.00001 0.00006 171 2PZ -0.00050 -0.00078 -0.00027 0.00001 0.00003 172 3S -0.00148 -0.00036 -0.00307 -0.00005 0.00039 173 3PX -0.00130 0.00053 -0.00001 -0.00004 -0.00003 174 3PY -0.00228 0.00353 -0.00693 -0.00024 0.00050 175 3PZ -0.00094 -0.00141 0.00002 0.00018 0.00023 176 4XX 0.00002 -0.00016 0.00004 0.00000 0.00000 177 4YY -0.00005 0.00012 0.00000 0.00000 0.00000 178 4ZZ 0.00005 0.00007 0.00003 0.00000 0.00000 179 4XY -0.00001 0.00004 0.00004 0.00000 0.00000 180 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00018 0.00001 0.00000 0.00000 182 18 H 1S 0.00007 0.00005 0.00011 0.00000 0.00000 183 2S 0.00056 0.00107 0.00100 0.00000 -0.00001 184 19 H 1S -0.00009 -0.00101 0.00003 0.00000 0.00000 185 2S -0.00047 -0.00466 -0.00030 0.00002 -0.00004 91 92 93 94 95 91 4ZZ 0.00126 92 4XY 0.00000 0.00117 93 4XZ 0.00000 0.00000 0.00076 94 4YZ 0.00000 0.00000 0.00000 0.00077 95 7 C 1S -0.00003 -0.00004 -0.00004 -0.00007 2.05312 96 2S 0.00052 0.00062 0.00063 0.00105 -0.01405 97 2PX 0.00072 0.00000 -0.00002 0.00090 0.00000 98 2PY 0.00092 0.00010 0.00091 0.00013 0.00000 99 2PZ -0.00062 0.00119 0.00024 0.00036 0.00000 100 3S 0.00137 0.00042 0.00027 0.00059 -0.02951 101 3PX 0.00093 0.00001 -0.00005 0.00010 0.00000 102 3PY 0.00083 -0.00001 -0.00001 -0.00009 0.00000 103 3PZ -0.00088 0.00030 0.00000 0.00000 0.00000 104 4XX -0.00001 0.00000 0.00000 -0.00004 -0.00112 105 4YY -0.00008 0.00000 -0.00004 0.00000 -0.00127 106 4ZZ 0.00001 -0.00005 0.00001 -0.00003 -0.00106 107 4XY -0.00008 0.00001 0.00000 0.00002 0.00000 108 4XZ -0.00001 0.00001 0.00001 0.00001 0.00000 109 4YZ 0.00001 -0.00001 0.00002 0.00003 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00001 0.00000 -0.00018 112 2PX 0.00002 0.00000 0.00004 0.00000 -0.00087 113 2PY 0.00000 0.00000 0.00000 0.00000 -0.00030 114 2PZ 0.00000 0.00000 0.00003 0.00000 -0.00024 115 3S 0.00004 0.00000 0.00012 -0.00001 -0.00024 116 3PX 0.00025 0.00000 0.00012 -0.00001 -0.00119 117 3PY 0.00001 -0.00001 0.00000 -0.00003 -0.00054 118 3PZ -0.00005 0.00001 0.00010 -0.00001 -0.00031 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 -0.00006 123 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 124 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S -0.00001 -0.00002 -0.00001 -0.00001 0.00004 131 3PX 0.00010 0.00000 0.00001 0.00004 0.00004 132 3PY -0.00006 0.00000 -0.00001 0.00001 0.00014 133 3PZ 0.00002 -0.00001 -0.00001 -0.00003 0.00003 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 142 11 H 1S 0.00001 -0.00001 0.00000 0.00005 0.00000 143 2S 0.00024 -0.00006 0.00000 0.00022 0.00000 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00013 146 13 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 14 C 1S 0.00001 -0.00002 -0.00013 -0.00001 0.00000 149 2S -0.00037 0.00018 0.00106 0.00013 0.00000 150 2PX -0.00009 0.00024 0.00139 0.00035 0.00000 151 2PY -0.00001 0.00160 0.00023 0.00037 0.00000 152 2PZ -0.00020 0.00015 0.00002 0.00000 0.00000 153 3S -0.00071 0.00006 0.00049 0.00010 0.00009 154 3PX 0.00095 0.00002 0.00010 0.00008 0.00012 155 3PY -0.00017 0.00067 0.00000 0.00019 0.00000 156 3PZ -0.00098 -0.00003 0.00032 0.00002 0.00003 157 4XX -0.00001 0.00003 0.00005 0.00001 0.00000 158 4YY 0.00000 -0.00001 -0.00004 0.00000 0.00000 159 4ZZ 0.00001 -0.00005 0.00000 0.00000 0.00000 160 4XY -0.00005 -0.00015 -0.00004 -0.00003 0.00000 161 4XZ 0.00000 -0.00004 0.00001 0.00000 0.00000 162 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 163 15 H 1S -0.00001 0.00009 -0.00001 0.00001 0.00000 164 2S -0.00016 0.00036 -0.00007 0.00002 0.00001 165 16 H 1S 0.00004 0.00003 0.00007 0.00001 0.00000 166 2S 0.00051 0.00012 0.00018 0.00005 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00001 -0.00082 169 2PX 0.00001 0.00000 0.00000 0.00000 -0.00014 170 2PY 0.00001 -0.00001 0.00000 0.00003 -0.00358 171 2PZ -0.00001 0.00001 0.00000 0.00000 -0.00015 172 3S -0.00004 -0.00001 -0.00002 0.00005 -0.00181 173 3PX 0.00012 0.00006 -0.00001 0.00001 -0.00013 174 3PY 0.00018 -0.00006 -0.00003 0.00007 -0.00303 175 3PZ -0.00025 0.00006 0.00000 0.00000 -0.00007 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 177 4YY 0.00000 0.00000 0.00000 0.00000 -0.00028 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 179 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00023 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 0.00000 -0.00002 0.00021 96 97 98 99 100 96 2S 0.33484 97 2PX 0.00000 0.37341 98 2PY 0.00000 0.00000 0.42811 99 2PZ 0.00000 0.00000 0.00000 0.37358 100 3S 0.19928 0.00000 0.00000 0.00000 0.24810 101 3PX 0.00000 0.06510 0.00000 0.00000 0.00000 102 3PY 0.00000 0.00000 0.02743 0.00000 0.00000 103 3PZ 0.00000 0.00000 0.00000 0.09343 0.00000 104 4XX -0.00637 0.00000 0.00000 0.00000 -0.00370 105 4YY -0.00241 0.00000 0.00000 0.00000 -0.00212 106 4ZZ -0.00759 0.00000 0.00000 0.00000 -0.00433 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S -0.00022 -0.00091 -0.00030 -0.00022 0.00091 111 2S 0.00542 0.01713 0.00563 0.00413 -0.00214 112 2PX 0.01640 0.02242 0.01559 0.01487 0.01665 113 2PY 0.00604 0.01554 0.00030 0.00434 0.00398 114 2PZ 0.00492 0.01380 0.00322 -0.00024 0.00467 115 3S 0.00447 0.02914 0.00848 0.00730 -0.03613 116 3PX 0.01278 0.00586 0.01260 0.01114 0.01180 117 3PY 0.00579 0.01224 -0.00071 0.00280 0.00499 118 3PZ 0.00357 0.01152 0.00200 0.00119 -0.00203 119 4XX 0.00081 -0.00071 0.00104 0.00091 0.00150 120 4YY -0.00014 -0.00013 -0.00022 -0.00011 -0.00056 121 4ZZ -0.00022 -0.00006 -0.00001 -0.00007 -0.00027 122 4XY 0.00103 0.00085 -0.00004 0.00073 0.00044 123 4XZ 0.00066 0.00080 0.00068 0.00002 0.00025 124 4YZ 0.00024 0.00073 -0.00001 0.00001 0.00015 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 126 2S -0.00004 -0.00002 -0.00015 -0.00005 -0.00079 127 2PX -0.00002 0.00000 0.00002 0.00000 -0.00043 128 2PY -0.00016 -0.00011 -0.00032 -0.00008 -0.00176 129 2PZ -0.00002 -0.00004 -0.00008 -0.00001 -0.00078 130 3S -0.00040 -0.00017 -0.00188 -0.00086 0.00085 131 3PX -0.00074 0.00022 0.00050 -0.00001 -0.00141 132 3PY -0.00233 -0.00011 -0.00324 -0.00166 -0.00447 133 3PZ -0.00003 -0.00039 -0.00005 0.00001 -0.00025 134 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00002 135 4YY 0.00001 0.00001 0.00003 0.00001 0.00008 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 137 4XY 0.00001 0.00000 0.00003 0.00001 0.00007 138 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 139 4YZ 0.00000 0.00001 0.00001 0.00000 0.00002 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 -0.00001 0.00000 0.00005 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 143 2S 0.00010 0.00002 0.00023 0.00019 0.00145 144 12 H 1S -0.00013 -0.00030 0.00000 -0.00020 -0.00265 145 2S -0.00225 -0.00363 0.00010 -0.00328 -0.00749 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00006 147 2S 0.00006 0.00006 0.00012 0.00010 0.00068 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00006 149 2S -0.00005 -0.00012 -0.00002 -0.00009 -0.00125 150 2PX -0.00012 -0.00014 -0.00003 -0.00025 -0.00261 151 2PY -0.00001 0.00000 0.00000 -0.00001 -0.00073 152 2PZ -0.00007 -0.00024 -0.00003 -0.00006 -0.00165 153 3S -0.00181 -0.00353 0.00054 -0.00165 -0.00736 154 3PX -0.00189 -0.00104 0.00056 -0.00308 -0.00755 155 3PY -0.00013 0.00038 -0.00017 0.00003 -0.00125 156 3PZ -0.00075 -0.00245 0.00010 0.00021 -0.00193 157 4XX 0.00000 0.00000 0.00000 0.00001 -0.00010 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00001 0.00002 0.00001 0.00001 0.00021 160 4XY 0.00000 0.00001 0.00000 0.00002 0.00007 161 4XZ 0.00001 0.00002 0.00001 0.00001 0.00007 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00003 163 15 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00050 164 2S -0.00029 -0.00043 0.00007 -0.00053 -0.00334 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 166 2S 0.00009 0.00018 0.00007 0.00017 0.00176 167 17 C 1S -0.00085 -0.00016 -0.00347 -0.00015 -0.00001 168 2S 0.01535 0.00186 0.04440 0.00164 0.00431 169 2PX 0.00200 0.01239 0.01067 -0.00211 0.00033 170 2PY 0.04754 0.01009 0.07770 0.01079 0.02491 171 2PZ 0.00194 -0.00199 0.01147 0.01694 0.00127 172 3S 0.02431 0.00286 0.04980 0.00159 0.00855 173 3PX 0.00117 0.02233 0.00534 -0.00136 -0.00020 174 3PY 0.03047 0.00536 0.01440 0.00534 0.01717 175 3PZ 0.00089 -0.00121 0.00626 0.02897 0.00105 176 4XX -0.00067 0.00007 -0.00128 -0.00008 -0.00115 177 4YY 0.00307 0.00059 0.00125 0.00060 0.00246 178 4ZZ -0.00062 -0.00007 -0.00121 0.00007 -0.00090 179 4XY 0.00028 0.00165 0.00064 0.00004 0.00003 180 4XZ 0.00004 0.00005 0.00011 0.00005 0.00002 181 4YZ 0.00026 0.00004 0.00069 0.00172 0.00007 182 18 H 1S -0.00024 0.00000 -0.00058 -0.00016 -0.00244 183 2S -0.00365 -0.00043 -0.00605 -0.00251 -0.00557 184 19 H 1S -0.00024 -0.00017 -0.00057 0.00000 -0.00187 185 2S -0.00356 -0.00312 -0.00592 -0.00025 -0.00678 101 102 103 104 105 101 3PX 0.06668 102 3PY 0.00000 0.06275 103 3PZ 0.00000 0.00000 0.09798 104 4XX 0.00000 0.00000 0.00000 0.00119 105 4YY 0.00000 0.00000 0.00000 -0.00007 0.00100 106 4ZZ 0.00000 0.00000 0.00000 0.00008 -0.00004 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00075 0.00097 0.00000 -0.00005 0.00000 111 2S 0.00317 -0.00326 0.00156 0.00101 -0.00014 112 2PX 0.00173 0.00390 0.00243 -0.00055 -0.00021 113 2PY 0.00298 -0.00105 0.00122 0.00108 -0.00020 114 2PZ 0.00223 -0.00158 -0.00084 0.00077 -0.00008 115 3S -0.00638 -0.02112 0.00800 0.00348 -0.00048 116 3PX -0.00065 0.00056 0.00197 -0.00034 -0.00061 117 3PY 0.00437 -0.00358 -0.00145 0.00048 -0.00052 118 3PZ 0.00047 -0.00513 0.00196 0.00105 0.00008 119 4XX -0.00082 0.00086 0.00100 0.00001 -0.00006 120 4YY 0.00066 -0.00021 -0.00037 -0.00008 0.00001 121 4ZZ 0.00009 -0.00016 -0.00033 0.00004 -0.00001 122 4XY 0.00005 0.00000 0.00012 -0.00001 0.00000 123 4XZ 0.00006 0.00006 0.00023 -0.00001 -0.00002 124 4YZ 0.00017 0.00000 0.00014 -0.00004 0.00000 125 9 C 1S 0.00002 0.00016 0.00005 0.00000 0.00000 126 2S -0.00002 -0.00134 -0.00086 0.00000 0.00001 127 2PX 0.00019 0.00049 -0.00024 0.00000 -0.00001 128 2PY 0.00012 -0.00051 -0.00100 -0.00002 0.00006 129 2PZ -0.00041 -0.00077 0.00000 0.00000 0.00002 130 3S 0.00041 -0.00061 -0.00395 -0.00011 0.00015 131 3PX 0.00162 0.00107 0.00013 0.00000 -0.00010 132 3PY 0.00129 -0.00014 -0.00528 -0.00030 0.00038 133 3PZ -0.00065 -0.00004 -0.00020 -0.00001 0.00007 134 4XX -0.00001 0.00007 -0.00001 0.00000 0.00000 135 4YY 0.00003 0.00013 -0.00002 0.00000 0.00000 136 4ZZ 0.00006 -0.00009 0.00001 0.00000 0.00000 137 4XY -0.00001 0.00004 0.00004 0.00000 0.00000 138 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 139 4YZ 0.00002 -0.00002 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 141 2S 0.00000 0.00018 0.00000 0.00000 0.00000 142 11 H 1S 0.00002 0.00010 0.00010 0.00000 0.00000 143 2S 0.00023 0.00074 0.00129 0.00000 -0.00001 144 12 H 1S -0.00138 -0.00001 -0.00062 0.00003 0.00000 145 2S -0.00428 -0.00002 -0.00359 0.00013 -0.00013 146 13 H 1S 0.00004 0.00000 0.00004 0.00000 0.00000 147 2S 0.00024 0.00005 0.00084 0.00001 -0.00001 148 14 C 1S -0.00002 0.00004 0.00001 0.00000 0.00000 149 2S 0.00040 -0.00066 -0.00025 0.00001 0.00000 150 2PX 0.00207 -0.00256 -0.00220 0.00002 -0.00001 151 2PY -0.00020 -0.00014 -0.00029 0.00000 0.00000 152 2PZ 0.00000 -0.00145 -0.00025 0.00003 0.00000 153 3S 0.00044 -0.00306 -0.00238 0.00028 -0.00009 154 3PX 0.00337 -0.00376 -0.00640 0.00018 -0.00029 155 3PY 0.00027 -0.00088 -0.00044 -0.00004 -0.00003 156 3PZ -0.00158 -0.00217 0.00057 0.00037 0.00015 157 4XX 0.00000 -0.00006 0.00004 0.00000 0.00000 158 4YY -0.00013 0.00004 0.00002 0.00000 0.00000 159 4ZZ 0.00014 0.00007 0.00000 0.00000 0.00000 160 4XY 0.00002 -0.00002 0.00005 0.00000 0.00000 161 4XZ 0.00010 -0.00002 0.00001 0.00000 0.00000 162 4YZ 0.00000 -0.00003 0.00002 0.00000 0.00000 163 15 H 1S -0.00071 -0.00010 -0.00007 0.00000 0.00000 164 2S -0.00250 -0.00039 -0.00112 -0.00001 0.00002 165 16 H 1S 0.00001 0.00010 0.00009 0.00000 0.00000 166 2S 0.00046 0.00093 0.00090 -0.00001 0.00000 167 17 C 1S 0.00006 -0.00071 -0.00008 0.00001 -0.00024 168 2S -0.00041 0.01156 0.00070 -0.00063 0.00268 169 2PX 0.01815 0.00273 -0.00140 0.00007 0.00061 170 2PY 0.00116 -0.00424 0.00364 -0.00132 -0.00047 171 2PZ -0.00131 0.00127 0.02803 -0.00003 0.00050 172 3S -0.00215 -0.00733 0.00025 -0.00236 0.00335 173 3PX 0.03064 0.00252 -0.00166 -0.00017 0.00042 174 3PY 0.00114 0.00011 0.00365 -0.00169 -0.00036 175 3PZ -0.00148 0.00120 0.04731 -0.00014 0.00043 176 4XX -0.00006 0.00059 -0.00013 0.00003 -0.00001 177 4YY 0.00019 -0.00092 0.00028 -0.00005 -0.00007 178 4ZZ -0.00004 0.00039 -0.00012 0.00001 -0.00001 179 4XY 0.00058 0.00002 -0.00003 -0.00001 0.00001 180 4XZ 0.00005 -0.00001 0.00005 0.00000 -0.00001 181 4YZ -0.00003 0.00002 0.00077 -0.00003 0.00005 182 18 H 1S -0.00012 0.00360 0.00043 0.00000 0.00005 183 2S -0.00057 0.00304 -0.00063 -0.00009 0.00014 184 19 H 1S 0.00044 0.00118 0.00005 0.00002 0.00003 185 2S -0.00043 0.00166 -0.00008 0.00040 -0.00006 106 107 108 109 110 106 4ZZ 0.00113 107 4XY 0.00000 0.00121 108 4XZ 0.00000 0.00000 0.00062 109 4YZ 0.00000 0.00000 0.00000 0.00116 110 8 C 1S 0.00000 -0.00005 -0.00003 -0.00002 2.05531 111 2S -0.00013 0.00087 0.00056 0.00035 -0.01175 112 2PX -0.00040 0.00087 0.00046 0.00083 0.00000 113 2PY -0.00003 0.00000 0.00054 0.00000 0.00000 114 2PZ -0.00007 0.00076 0.00002 0.00001 0.00000 115 3S -0.00061 0.00087 0.00024 0.00019 -0.04668 116 3PX 0.00004 0.00009 0.00006 0.00026 0.00000 117 3PY -0.00007 0.00007 0.00014 -0.00007 0.00000 118 3PZ -0.00048 0.00021 0.00015 0.00003 0.00000 119 4XX -0.00001 0.00002 0.00000 -0.00004 -0.00119 120 4YY 0.00000 -0.00001 -0.00001 0.00000 -0.00125 121 4ZZ 0.00000 -0.00003 0.00000 0.00000 -0.00127 122 4XY -0.00005 0.00002 -0.00002 -0.00001 0.00000 123 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00001 -0.00024 127 2PX 0.00000 0.00000 0.00000 0.00001 -0.00010 128 2PY 0.00000 0.00001 0.00000 0.00005 -0.00129 129 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00013 130 3S 0.00001 -0.00005 0.00000 0.00006 0.00146 131 3PX 0.00003 0.00000 0.00000 0.00004 -0.00018 132 3PY 0.00003 -0.00006 0.00001 0.00017 0.00017 133 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00032 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 -0.00011 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 137 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00003 0.00000 0.00005 0.00000 -0.00188 145 2S 0.00038 -0.00002 0.00018 -0.00001 -0.00142 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00018 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00001 0.00000 0.00000 150 2PX 0.00004 -0.00001 0.00003 0.00000 0.00000 151 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00002 0.00002 0.00002 -0.00001 0.00000 153 3S 0.00007 -0.00001 0.00010 -0.00004 0.00000 154 3PX 0.00047 -0.00007 0.00007 -0.00001 0.00000 155 3PY 0.00012 0.00003 0.00000 -0.00003 0.00000 156 3PZ -0.00033 0.00010 0.00008 -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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00001 0.00001 -0.00003 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00001 -0.00003 0.00000 -0.00003 0.00000 168 2S -0.00060 0.00025 0.00005 0.00021 0.00000 169 2PX -0.00005 0.00187 0.00005 0.00006 0.00000 170 2PY -0.00112 0.00051 0.00014 0.00046 0.00000 171 2PZ 0.00007 0.00004 0.00007 0.00185 0.00000 172 3S -0.00163 0.00008 0.00003 0.00009 0.00012 173 3PX -0.00014 0.00096 0.00005 -0.00002 0.00001 174 3PY -0.00075 0.00005 0.00003 0.00005 0.00013 175 3PZ -0.00019 -0.00003 0.00006 0.00104 -0.00001 176 4XX 0.00001 0.00000 0.00000 -0.00002 0.00000 177 4YY -0.00005 0.00003 0.00000 0.00004 0.00000 178 4ZZ 0.00003 -0.00002 0.00000 0.00000 0.00000 179 4XY -0.00002 -0.00014 0.00001 -0.00005 0.00000 180 4XZ 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YZ 0.00000 -0.00004 0.00000 -0.00009 0.00000 182 18 H 1S 0.00002 0.00002 0.00000 0.00007 0.00000 183 2S 0.00035 0.00010 0.00001 0.00026 0.00002 184 19 H 1S 0.00000 0.00008 0.00000 0.00001 0.00000 185 2S -0.00003 0.00031 0.00001 0.00006 0.00000 111 112 113 114 115 111 2S 0.30506 112 2PX 0.00000 0.38267 113 2PY 0.00000 0.00000 0.40807 114 2PZ 0.00000 0.00000 0.00000 0.38716 115 3S 0.29122 0.00000 0.00000 0.00000 0.62753 116 3PX 0.00000 0.12709 0.00000 0.00000 0.00000 117 3PY 0.00000 0.00000 0.10655 0.00000 0.00000 118 3PZ 0.00000 0.00000 0.00000 0.12731 0.00000 119 4XX -0.00381 0.00000 0.00000 0.00000 -0.00339 120 4YY -0.00217 0.00000 0.00000 0.00000 -0.00442 121 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00046 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S -0.00021 -0.00008 -0.00137 -0.00013 -0.00017 126 2S 0.00593 0.00153 0.02548 0.00260 0.00290 127 2PX 0.00203 0.00194 0.00688 -0.00007 0.00162 128 2PY 0.02450 0.00633 0.06099 0.00938 0.02290 129 2PZ 0.00232 -0.00007 0.00713 -0.00006 0.00363 130 3S -0.00460 0.00269 0.02618 0.00287 -0.04914 131 3PX 0.00167 0.00103 0.00285 0.00004 -0.00029 132 3PY 0.00791 0.00358 0.01410 0.00749 -0.01507 133 3PZ -0.00009 -0.00008 0.00287 -0.00035 -0.00148 134 4XX -0.00019 0.00003 -0.00051 -0.00005 -0.00025 135 4YY 0.00219 0.00055 0.00067 0.00094 0.00239 136 4ZZ -0.00039 -0.00004 -0.00085 0.00002 -0.00124 137 4XY 0.00025 0.00065 0.00055 0.00012 0.00019 138 4XZ 0.00006 0.00004 0.00021 0.00003 0.00005 139 4YZ 0.00040 0.00014 0.00104 0.00044 0.00034 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00008 141 2S 0.00012 0.00005 0.00043 -0.00001 0.00126 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00001 -0.00001 0.00003 0.00003 0.00021 144 12 H 1S 0.03090 0.02214 0.02980 0.04679 0.03446 145 2S 0.01596 0.01209 0.01605 0.02668 0.00792 146 13 H 1S -0.00013 0.00000 -0.00031 -0.00019 -0.00224 147 2S -0.00281 -0.00002 -0.00464 -0.00289 -0.00680 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00003 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00014 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00004 153 3S 0.00004 0.00013 0.00000 0.00004 0.00101 154 3PX 0.00006 0.00018 0.00000 0.00009 0.00189 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00003 0.00007 0.00000 0.00001 0.00024 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00003 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 -0.00008 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 168 2S -0.00006 -0.00010 -0.00019 0.00000 -0.00072 169 2PX -0.00007 -0.00003 -0.00023 -0.00001 -0.00253 170 2PY -0.00016 -0.00029 -0.00024 -0.00002 -0.00258 171 2PZ -0.00002 -0.00001 0.00000 -0.00002 -0.00002 172 3S -0.00189 -0.00122 -0.00287 -0.00024 -0.01327 173 3PX -0.00027 0.00051 -0.00086 -0.00024 -0.00737 174 3PY -0.00181 -0.00230 -0.00095 -0.00041 -0.00900 175 3PZ -0.00009 0.00002 0.00024 -0.00083 0.00116 176 4XX 0.00001 0.00001 0.00002 0.00000 0.00023 177 4YY 0.00000 0.00001 0.00001 0.00000 -0.00007 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 179 4XY 0.00002 0.00004 0.00005 0.00001 0.00018 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 181 4YZ 0.00000 0.00001 0.00001 0.00000 0.00004 182 18 H 1S -0.00001 -0.00001 -0.00002 0.00000 -0.00046 183 2S -0.00049 -0.00044 -0.00082 0.00009 -0.00360 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 185 2S 0.00011 0.00020 0.00022 0.00002 0.00164 116 117 118 119 120 116 3PX 0.15173 117 3PY 0.00000 0.12653 118 3PZ 0.00000 0.00000 0.16122 119 4XX 0.00000 0.00000 0.00000 0.00107 120 4YY 0.00000 0.00000 0.00000 -0.00014 0.00124 121 4ZZ 0.00000 0.00000 0.00000 0.00003 -0.00010 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S -0.00023 -0.00161 0.00000 0.00000 -0.00012 126 2S 0.00204 0.01889 0.00098 -0.00035 0.00237 127 2PX 0.00300 0.00400 0.00003 0.00003 0.00056 128 2PY 0.00311 0.01893 0.00572 -0.00069 0.00093 129 2PZ 0.00023 0.00340 0.00082 -0.00009 0.00093 130 3S 0.00438 0.00559 0.00365 -0.00089 0.00309 131 3PX -0.00119 0.00103 0.00008 -0.00025 0.00065 132 3PY 0.00317 0.00128 0.00711 -0.00092 0.00076 133 3PZ 0.00014 0.00107 -0.00235 -0.00008 0.00051 134 4XX -0.00023 -0.00029 -0.00003 0.00001 -0.00007 135 4YY 0.00047 0.00015 0.00079 -0.00003 0.00002 136 4ZZ -0.00005 -0.00133 -0.00025 0.00000 -0.00001 137 4XY 0.00060 0.00010 0.00000 0.00001 0.00003 138 4XZ 0.00002 0.00006 0.00002 0.00000 0.00000 139 4YZ 0.00000 0.00017 0.00052 0.00000 -0.00003 140 10 H 1S 0.00001 0.00025 -0.00002 0.00000 0.00000 141 2S 0.00016 0.00290 -0.00012 0.00000 0.00000 142 11 H 1S 0.00001 -0.00001 0.00000 0.00000 0.00000 143 2S 0.00005 0.00028 0.00052 0.00000 0.00000 144 12 H 1S 0.01406 0.01778 0.02971 -0.00041 -0.00037 145 2S 0.00970 0.01419 0.02515 -0.00063 -0.00030 146 13 H 1S -0.00004 -0.00254 -0.00199 0.00000 0.00000 147 2S -0.00012 -0.00771 -0.00631 0.00010 -0.00028 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00007 0.00000 0.00003 0.00000 0.00000 150 2PX 0.00023 0.00000 0.00008 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00006 0.00000 0.00007 0.00000 0.00000 153 3S 0.00178 0.00003 0.00067 0.00000 0.00000 154 3PX 0.00199 0.00002 0.00075 0.00001 0.00000 155 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 156 3PZ 0.00061 0.00003 0.00035 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 -0.00001 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00003 0.00001 0.00001 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00010 0.00001 -0.00007 0.00000 0.00000 167 17 C 1S 0.00008 0.00009 0.00000 0.00000 0.00000 168 2S -0.00139 -0.00169 0.00016 0.00000 0.00001 169 2PX -0.00040 0.00054 0.00007 -0.00002 0.00005 170 2PY -0.00413 -0.00096 -0.00060 0.00001 0.00004 171 2PZ 0.00003 -0.00056 -0.00005 0.00001 -0.00001 172 3S -0.00570 -0.00364 -0.00118 -0.00004 0.00027 173 3PX 0.00038 0.00476 -0.00012 -0.00024 0.00042 174 3PY -0.00754 -0.00108 -0.00174 0.00015 0.00022 175 3PZ 0.00030 -0.00101 -0.00200 0.00009 -0.00008 176 4XX 0.00012 0.00017 0.00005 0.00000 0.00000 177 4YY 0.00000 0.00001 -0.00002 0.00000 0.00000 178 4ZZ -0.00002 -0.00008 0.00001 0.00000 0.00000 179 4XY 0.00010 0.00024 0.00003 0.00000 0.00000 180 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 181 4YZ 0.00006 0.00003 0.00001 0.00000 0.00000 182 18 H 1S -0.00010 -0.00106 -0.00008 0.00000 0.00000 183 2S -0.00120 -0.00411 0.00010 0.00000 -0.00002 184 19 H 1S 0.00014 0.00008 0.00002 0.00000 0.00000 185 2S 0.00203 0.00154 0.00017 0.00000 -0.00001 121 122 123 124 125 121 4ZZ 0.00087 122 4XY 0.00000 0.00117 123 4XZ 0.00000 0.00000 0.00142 124 4YZ 0.00000 0.00000 0.00000 0.00114 125 9 C 1S 0.00000 -0.00002 0.00000 -0.00003 2.05347 126 2S -0.00031 0.00033 0.00004 0.00050 -0.01385 127 2PX -0.00004 0.00077 0.00008 0.00008 0.00000 128 2PY -0.00064 0.00061 0.00016 0.00081 0.00000 129 2PZ 0.00003 0.00012 0.00004 0.00050 0.00000 130 3S -0.00083 0.00009 0.00002 0.00034 -0.03072 131 3PX -0.00017 0.00074 0.00015 0.00002 0.00000 132 3PY -0.00064 0.00012 0.00002 0.00013 0.00000 133 3PZ -0.00023 -0.00002 0.00005 0.00036 0.00000 134 4XX 0.00001 0.00000 0.00000 -0.00001 -0.00098 135 4YY -0.00004 0.00000 -0.00003 -0.00001 -0.00125 136 4ZZ 0.00001 -0.00002 0.00000 0.00000 -0.00155 137 4XY 0.00000 -0.00006 -0.00001 -0.00002 0.00000 138 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 139 4YZ 0.00000 -0.00002 -0.00001 -0.00006 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00022 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00082 0.00127 0.00173 0.00250 0.00000 145 2S 0.00107 0.00025 0.00035 0.00048 0.00009 146 13 H 1S 0.00002 0.00000 0.00000 0.00004 -0.00208 147 2S 0.00029 -0.00001 0.00000 0.00018 -0.00144 148 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00001 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 170 2PY 0.00000 0.00006 -0.00001 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 172 3S -0.00005 0.00004 -0.00002 0.00001 0.00000 173 3PX 0.00001 0.00000 0.00002 0.00005 0.00000 174 3PY -0.00011 0.00011 -0.00004 -0.00002 0.00000 175 3PZ -0.00001 0.00003 0.00006 0.00008 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00002 -0.00003 0.00000 0.00001 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 2S 0.32638 127 2PX 0.00000 0.35796 128 2PY 0.00000 0.00000 0.39547 129 2PZ 0.00000 0.00000 0.00000 0.41513 130 3S 0.21327 0.00000 0.00000 0.00000 0.26180 131 3PX 0.00000 0.11878 0.00000 0.00000 0.00000 132 3PY 0.00000 0.00000 0.08132 0.00000 0.00000 133 3PZ 0.00000 0.00000 0.00000 0.08701 0.00000 134 4XX -0.00923 0.00000 0.00000 0.00000 -0.00650 135 4YY -0.00403 0.00000 0.00000 0.00000 -0.00288 136 4ZZ 0.00133 0.00000 0.00000 0.00000 0.00239 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00020 -0.00015 -0.00047 -0.00009 -0.00301 141 2S -0.00306 -0.00173 -0.00690 -0.00091 -0.00992 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00017 143 2S 0.00014 0.00007 0.00003 0.00036 0.00184 144 12 H 1S -0.00011 -0.00009 -0.00041 -0.00002 -0.00299 145 2S -0.00149 -0.00100 -0.00499 -0.00033 -0.00687 146 13 H 1S 0.03301 0.00547 0.01015 0.08222 0.04236 147 2S 0.01562 0.00337 0.00635 0.04844 0.02635 148 14 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 0.00001 153 3S 0.00000 0.00001 0.00000 -0.00001 -0.00005 154 3PX 0.00000 0.00004 0.00000 -0.00002 -0.00013 155 3PY 0.00000 -0.00002 0.00000 0.00001 0.00002 156 3PZ 0.00000 -0.00003 0.00000 0.00001 0.00015 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00002 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00005 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 172 3S 0.00002 0.00000 0.00011 0.00000 0.00034 173 3PX 0.00004 0.00000 0.00010 0.00001 0.00058 174 3PY 0.00000 -0.00001 0.00002 0.00001 -0.00015 175 3PZ -0.00003 -0.00001 -0.00010 0.00000 -0.00028 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00001 0.00000 0.00009 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 131 132 133 134 135 131 3PX 0.13495 132 3PY 0.00000 0.07237 133 3PZ 0.00000 0.00000 0.06937 134 4XX 0.00000 0.00000 0.00000 0.00099 135 4YY 0.00000 0.00000 0.00000 0.00006 0.00130 136 4ZZ 0.00000 0.00000 0.00000 -0.00005 -0.00021 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00081 -0.00145 -0.00050 0.00001 0.00009 141 2S -0.00246 -0.00768 -0.00139 0.00011 0.00087 142 11 H 1S 0.00007 0.00003 0.00024 0.00000 0.00000 143 2S 0.00049 0.00027 0.00209 0.00000 0.00000 144 12 H 1S -0.00046 -0.00161 0.00003 0.00000 0.00004 145 2S -0.00105 -0.00468 -0.00035 0.00008 0.00014 146 13 H 1S 0.00295 0.00446 0.04120 -0.00072 -0.00113 147 2S 0.00257 0.00493 0.03550 -0.00076 -0.00222 148 14 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 0.00004 0.00000 -0.00002 0.00000 0.00000 151 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00005 0.00001 0.00001 0.00000 0.00000 153 3S 0.00015 0.00004 -0.00015 0.00000 0.00000 154 3PX 0.00053 -0.00008 -0.00027 0.00000 0.00000 155 3PY -0.00029 0.00000 0.00011 0.00000 0.00000 156 3PZ -0.00061 0.00012 0.00012 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00004 -0.00002 0.00002 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00004 0.00000 -0.00001 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00002 0.00006 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00017 0.00000 0.00000 0.00000 170 2PY -0.00004 -0.00004 0.00002 0.00000 0.00000 171 2PZ 0.00001 -0.00010 -0.00001 0.00000 0.00000 172 3S -0.00006 0.00117 0.00002 0.00000 0.00000 173 3PX 0.00005 0.00129 0.00002 0.00000 0.00000 174 3PY 0.00000 -0.00023 0.00008 0.00000 -0.00001 175 3PZ 0.00002 -0.00101 -0.00007 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 183 2S 0.00003 0.00014 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 -0.00008 -0.00001 0.00000 0.00000 136 137 138 139 140 136 4ZZ 0.00141 137 4XY 0.00000 0.00056 138 4XZ 0.00000 0.00000 0.00061 139 4YZ 0.00000 0.00000 0.00000 0.00108 140 10 H 1S -0.00002 0.00003 -0.00001 0.00001 0.21396 141 2S -0.00049 0.00010 -0.00006 -0.00002 0.10396 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 143 2S -0.00003 0.00000 0.00000 0.00000 -0.00057 144 12 H 1S 0.00000 0.00002 0.00000 0.00002 0.00000 145 2S -0.00006 0.00008 0.00001 0.00009 0.00000 146 13 H 1S 0.00482 0.00018 0.00066 0.00145 -0.00001 147 2S 0.00444 0.00005 0.00010 0.00026 -0.00072 148 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 2S 0.13396 142 11 H 1S -0.00076 0.22093 143 2S -0.00303 0.10861 0.14526 144 12 H 1S 0.00000 0.00000 0.00000 0.21418 145 2S -0.00012 0.00000 0.00002 0.09966 0.12657 146 13 H 1S -0.00070 0.00000 0.00000 -0.00001 -0.00066 147 2S -0.00386 0.00000 -0.00014 -0.00067 -0.00297 148 14 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 149 2S 0.00000 -0.00001 -0.00044 0.00000 0.00000 150 2PX -0.00001 -0.00002 -0.00087 0.00000 0.00000 151 2PY 0.00000 -0.00002 -0.00002 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00009 0.00000 0.00000 153 3S -0.00008 -0.00070 -0.00328 0.00000 -0.00003 154 3PX -0.00012 -0.00015 -0.00169 0.00000 -0.00005 155 3PY 0.00008 -0.00019 0.00054 0.00000 0.00000 156 3PZ 0.00008 -0.00007 -0.00001 0.00000 -0.00001 157 4XX 0.00000 0.00000 -0.00003 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00003 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00003 0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00005 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00001 0.00001 -0.00001 0.00000 -0.00001 165 16 H 1S 0.00000 0.00000 0.00075 0.00000 0.00000 166 2S -0.00004 0.00049 0.00544 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 168 2S 0.00000 0.00000 0.00000 -0.00001 -0.00042 169 2PX 0.00000 0.00000 0.00000 -0.00001 0.00012 170 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00090 171 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00005 172 3S 0.00001 0.00000 -0.00004 -0.00043 -0.00233 173 3PX 0.00000 0.00000 0.00000 -0.00014 0.00068 174 3PY 0.00000 0.00000 -0.00009 0.00002 -0.00145 175 3PZ 0.00000 0.00000 -0.00001 -0.00032 -0.00049 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 177 4YY 0.00000 0.00000 0.00000 0.00000 -0.00003 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 179 4XY 0.00000 0.00000 0.00000 0.00000 -0.00004 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 181 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00070 183 2S 0.00000 0.00000 0.00000 0.00046 0.00487 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00001 0.00000 146 147 148 149 150 146 13 H 1S 0.21403 147 2S 0.10338 0.13117 148 14 C 1S 0.00000 0.00000 2.05313 149 2S 0.00000 0.00000 -0.01369 0.31859 150 2PX 0.00000 0.00000 0.00000 0.00000 0.40295 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 -0.03220 0.23571 0.00000 154 3PX 0.00000 0.00001 0.00000 0.00000 0.11729 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00137 -0.00241 0.00000 158 4YY 0.00000 0.00000 -0.00154 0.00018 0.00000 159 4ZZ 0.00000 0.00000 -0.00124 -0.00537 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 15 H 1S 0.00000 0.00000 -0.00200 0.03248 0.02646 164 2S 0.00000 0.00000 -0.00120 0.01683 0.01480 165 16 H 1S 0.00000 0.00000 -0.00201 0.03262 0.01454 166 2S 0.00000 0.00000 -0.00132 0.01775 0.00814 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 172 3S 0.00000 -0.00005 0.00001 -0.00023 -0.00056 173 3PX 0.00000 -0.00007 0.00001 -0.00019 0.00025 174 3PY 0.00000 -0.00003 0.00000 -0.00006 -0.00031 175 3PZ 0.00000 0.00009 0.00000 -0.00009 -0.00079 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00014 0.00010 151 152 153 154 155 151 2PY 0.39669 152 2PZ 0.00000 0.37299 153 3S 0.00000 0.00000 0.31414 154 3PX 0.00000 0.00000 0.00000 0.11746 155 3PY 0.10055 0.00000 0.00000 0.00000 0.08827 156 3PZ 0.00000 0.12180 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00072 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00103 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00389 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 15 H 1S 0.06874 0.00314 0.03193 0.01688 0.03654 164 2S 0.04085 0.00187 0.00597 0.01408 0.03354 165 16 H 1S 0.03945 0.04403 0.03078 0.00992 0.01977 166 2S 0.02414 0.02565 0.00824 0.00838 0.01883 167 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 168 2S 0.00000 0.00000 -0.00020 -0.00003 -0.00027 169 2PX 0.00000 -0.00002 -0.00005 0.00046 0.00033 170 2PY 0.00001 -0.00001 -0.00068 -0.00028 0.00013 171 2PZ -0.00002 0.00002 -0.00016 -0.00071 -0.00083 172 3S -0.00002 -0.00037 -0.00344 -0.00256 -0.00047 173 3PX 0.00035 -0.00094 -0.00065 0.00102 0.00191 174 3PY 0.00057 -0.00078 -0.00325 -0.00108 0.00126 175 3PZ -0.00071 0.00074 -0.00081 -0.00386 -0.00305 176 4XX 0.00000 0.00000 0.00003 0.00001 -0.00001 177 4YY 0.00000 0.00000 -0.00002 -0.00001 0.00000 178 4ZZ 0.00000 0.00000 0.00001 0.00001 0.00002 179 4XY 0.00000 0.00000 -0.00001 -0.00001 0.00001 180 4XZ 0.00000 0.00000 0.00001 0.00001 0.00000 181 4YZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00000 0.00006 -0.00004 0.00013 184 19 H 1S 0.00000 0.00000 0.00018 0.00024 -0.00030 185 2S 0.00014 0.00009 0.00255 0.00118 0.00008 156 157 158 159 160 156 3PZ 0.13667 157 4XX 0.00000 0.00080 158 4YY 0.00000 -0.00006 0.00091 159 4ZZ 0.00000 -0.00006 0.00004 0.00082 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00113 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 15 H 1S 0.00101 -0.00043 0.00326 -0.00087 0.00297 164 2S 0.00079 -0.00033 0.00311 -0.00178 0.00060 165 16 H 1S 0.02451 -0.00091 0.00045 0.00098 0.00119 166 2S 0.02160 -0.00148 0.00020 0.00191 0.00031 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00003 0.00000 0.00000 0.00000 0.00000 169 2PX -0.00072 0.00000 0.00000 0.00000 0.00000 170 2PY -0.00081 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00087 0.00000 0.00000 0.00000 0.00000 172 3S -0.00167 -0.00001 0.00003 0.00000 -0.00001 173 3PX -0.00383 0.00001 -0.00001 0.00001 0.00001 174 3PY -0.00403 0.00000 0.00003 -0.00002 -0.00002 175 3PZ 0.00287 -0.00003 0.00002 0.00001 0.00000 176 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 177 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00007 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 185 2S 0.00092 0.00000 0.00001 -0.00002 -0.00001 161 162 163 164 165 161 4XZ 0.00069 162 4YZ 0.00000 0.00082 163 15 H 1S 0.00025 0.00028 0.21419 164 2S 0.00008 0.00001 0.10294 0.13066 165 16 H 1S 0.00087 0.00277 -0.00050 -0.00779 0.21404 166 2S 0.00015 0.00046 -0.00789 -0.02406 0.10381 167 17 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 168 2S 0.00000 0.00000 0.00000 0.00015 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00024 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00017 0.00000 171 2PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 172 3S -0.00001 0.00000 0.00018 0.00251 0.00000 173 3PX 0.00000 0.00002 -0.00023 0.00058 0.00000 174 3PY -0.00003 0.00001 0.00033 0.00167 0.00000 175 3PZ 0.00000 -0.00001 0.00002 -0.00030 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 -0.00002 0.00000 179 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 -0.00011 0.00000 184 19 H 1S 0.00000 0.00000 -0.00001 0.00042 0.00000 185 2S 0.00000 0.00000 0.00042 0.00324 0.00000 166 167 168 169 170 166 2S 0.13090 167 17 C 1S 0.00000 2.05314 168 2S 0.00000 -0.01384 0.32165 169 2PX 0.00001 0.00000 0.00000 0.38437 170 2PY 0.00000 0.00000 0.00000 0.00000 0.41380 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00007 -0.03153 0.22947 0.00000 0.00000 173 3PX 0.00010 0.00000 0.00000 0.10918 0.00000 174 3PY -0.00007 0.00000 0.00000 0.00000 0.10535 175 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 -0.00140 -0.00242 0.00000 0.00000 177 4YY 0.00000 -0.00148 -0.00032 0.00000 0.00000 178 4ZZ 0.00000 -0.00127 -0.00474 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 -0.00203 0.03303 0.02926 0.02629 183 2S 0.00000 -0.00135 0.01825 0.01766 0.01462 184 19 H 1S 0.00000 -0.00201 0.03256 0.05500 0.02349 185 2S -0.00011 -0.00119 0.01646 0.03260 0.01316 171 172 173 174 175 171 2PZ 0.37326 172 3S 0.00000 0.29885 173 3PX 0.00000 0.00000 0.11060 174 3PY 0.00000 0.00000 0.00000 0.09205 175 3PZ 0.11671 0.00000 0.00000 0.00000 0.12729 176 4XX 0.00000 -0.00253 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00111 0.00000 0.00000 0.00000 178 4ZZ 0.00000 -0.00405 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.04282 0.03059 0.01381 0.01696 0.02292 183 2S 0.02555 0.01015 0.01283 0.01390 0.02060 184 19 H 1S 0.02010 0.03360 0.02887 0.01491 0.00941 185 2S 0.01191 0.01032 0.02567 0.01247 0.00832 176 177 178 179 180 176 4XX 0.00073 177 4YY -0.00008 0.00067 178 4ZZ 0.00014 -0.00004 0.00064 179 4XY 0.00000 0.00000 0.00000 0.00113 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00083 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S -0.00014 -0.00066 0.00107 0.00148 0.00185 183 2S -0.00029 -0.00091 0.00180 0.00036 0.00024 184 19 H 1S 0.00203 -0.00073 -0.00048 0.00212 0.00159 185 2S 0.00245 -0.00112 -0.00056 0.00045 0.00019 181 182 183 184 185 181 4YZ 0.00102 182 18 H 1S 0.00184 0.21448 183 2S 0.00037 0.10371 0.13079 184 19 H 1S 0.00095 -0.00050 -0.00792 0.21453 185 2S 0.00024 -0.00787 -0.02438 0.10302 0.13075 Gross orbital populations: 1 1 1 S 1S 1.99865 2 2S 1.98961 3 2PX 1.98907 4 2PY 1.98802 5 2PZ 1.98782 6 3S 1.47701 7 3PX 0.97137 8 3PY 0.83367 9 3PZ 0.82243 10 4S 0.33525 11 4PX 0.21628 12 4PY 0.10806 13 4PZ 0.13632 14 5XX -0.00525 15 5YY 0.03610 16 5ZZ 0.01427 17 5XY 0.07456 18 5XZ 0.04711 19 5YZ 0.06306 20 2 O 1S 1.99274 21 2S 0.92703 22 2PX 1.03493 23 2PY 0.84782 24 2PZ 0.94831 25 3S 1.02774 26 3PX 0.69335 27 3PY 0.43982 28 3PZ 0.62679 29 4XX -0.01294 30 4YY 0.01102 31 4ZZ -0.00626 32 4XY 0.00693 33 4XZ 0.00159 34 4YZ 0.00840 35 3 O 1S 1.99252 36 2S 0.90989 37 2PX 0.84244 38 2PY 1.02585 39 2PZ 0.98739 40 3S 1.02854 41 3PX 0.47638 42 3PY 0.64983 43 3PZ 0.64584 44 4XX 0.01026 45 4YY -0.00775 46 4ZZ -0.00846 47 4XY 0.00388 48 4XZ 0.00723 49 4YZ 0.00517 50 4 C 1S 1.99194 51 2S 0.71058 52 2PX 0.61166 53 2PY 0.72851 54 2PZ 0.72233 55 3S 0.50831 56 3PX 0.36304 57 3PY 0.24822 58 3PZ 0.19991 59 4XX -0.01830 60 4YY 0.01140 61 4ZZ -0.00262 62 4XY 0.00487 63 4XZ 0.00472 64 4YZ 0.00946 65 5 C 1S 1.99299 66 2S 0.69301 67 2PX 0.57692 68 2PY 0.72883 69 2PZ 0.72710 70 3S 0.58113 71 3PX 0.17075 72 3PY 0.25422 73 3PZ 0.24507 74 4XX 0.00196 75 4YY -0.00150 76 4ZZ 0.00260 77 4XY 0.01386 78 4XZ 0.01493 79 4YZ 0.01313 80 6 C 1S 1.99200 81 2S 0.71723 82 2PX 0.72934 83 2PY 0.68344 84 2PZ 0.65174 85 3S 0.42197 86 3PX 0.12123 87 3PY 0.18519 88 3PZ 0.26320 89 4XX -0.00282 90 4YY -0.00532 91 4ZZ -0.01116 92 4XY 0.01105 93 4XZ 0.00744 94 4YZ 0.00710 95 7 C 1S 1.99209 96 2S 0.71228 97 2PX 0.65558 98 2PY 0.76149 99 2PZ 0.64699 100 3S 0.43797 101 3PX 0.19915 102 3PY 0.08848 103 3PZ 0.28696 104 4XX -0.00939 105 4YY 0.00022 106 4ZZ -0.01298 107 4XY 0.01140 108 4XZ 0.00558 109 4YZ 0.01060 110 8 C 1S 1.99278 111 2S 0.67759 112 2PX 0.67137 113 2PY 0.72283 114 2PZ 0.67182 115 3S 0.71651 116 3PX 0.33164 117 3PY 0.30639 118 3PZ 0.35545 119 4XX -0.00398 120 4YY 0.00041 121 4ZZ -0.00136 122 4XY 0.00938 123 4XZ 0.01064 124 4YZ 0.00904 125 9 C 1S 1.99196 126 2S 0.70656 127 2PX 0.61465 128 2PY 0.70826 129 2PZ 0.73942 130 3S 0.51522 131 3PX 0.36283 132 3PY 0.19498 133 3PZ 0.25431 134 4XX -0.01857 135 4YY -0.00286 136 4ZZ 0.01029 137 4XY 0.00539 138 4XZ 0.00500 139 4YZ 0.00990 140 10 H 1S 0.52768 141 2S 0.31792 142 11 H 1S 0.53690 143 2S 0.30915 144 12 H 1S 0.52764 145 2S 0.29610 146 13 H 1S 0.52787 147 2S 0.31598 148 14 C 1S 1.99169 149 2S 0.70149 150 2PX 0.71792 151 2PY 0.69868 152 2PZ 0.64893 153 3S 0.61123 154 3PX 0.32846 155 3PY 0.32797 156 3PZ 0.37979 157 4XX -0.00182 158 4YY 0.00361 159 4ZZ -0.00989 160 4XY 0.00912 161 4XZ 0.00599 162 4YZ 0.00554 163 15 H 1S 0.52849 164 2S 0.31965 165 16 H 1S 0.52835 166 2S 0.32205 167 17 C 1S 1.99170 168 2S 0.70448 169 2PX 0.66962 170 2PY 0.74675 171 2PZ 0.64508 172 3S 0.60521 173 3PX 0.35544 174 3PY 0.28762 175 3PZ 0.37282 176 4XX -0.00366 177 4YY 0.00351 178 4ZZ -0.00972 179 4XY 0.00923 180 4XZ 0.00510 181 4YZ 0.00831 182 18 H 1S 0.52888 183 2S 0.32077 184 19 H 1S 0.52891 185 2S 0.31880 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 S 14.787477 0.314118 0.009827 -0.005975 -0.000399 -0.009316 2 O 0.314118 8.294687 -0.030646 0.000110 -0.000706 -0.000150 3 O 0.009827 -0.030646 8.558577 -0.048565 0.164780 -0.033808 4 C -0.005975 0.000110 -0.048565 4.973753 0.345914 -0.036297 5 C -0.000399 -0.000706 0.164780 0.345914 4.983392 0.332825 6 C -0.009316 -0.000150 -0.033808 -0.036297 0.332825 4.673158 7 C -0.020096 0.001966 -0.014209 -0.022111 -0.029805 0.416381 8 C 0.055422 -0.040026 0.005352 -0.063577 -0.027167 -0.055037 9 C -0.020515 0.001777 -0.012521 0.656797 -0.035797 -0.019938 10 H 0.000411 0.000002 0.002685 0.366309 -0.038827 0.003592 11 H 0.000447 -0.000095 -0.035050 -0.042759 0.375803 -0.042369 12 H -0.025159 0.000607 0.001587 0.004137 0.000695 0.003960 13 H 0.000925 -0.000019 -0.000118 -0.036357 0.004218 0.000436 14 C 0.000144 -0.000106 0.001014 0.001774 -0.062706 0.625108 15 H -0.000029 -0.000001 -0.000084 -0.000278 0.005383 -0.016444 16 H 0.000023 0.000000 0.000140 0.000381 -0.010157 -0.015525 17 C -0.004246 0.005866 0.000072 0.000800 0.007697 -0.047593 18 H 0.000639 -0.000194 0.000000 -0.000005 -0.000176 0.005157 19 H -0.000301 0.000094 -0.000005 -0.000038 0.000051 -0.012511 7 8 9 10 11 12 1 S -0.020096 0.055422 -0.020515 0.000411 0.000447 -0.025159 2 O 0.001966 -0.040026 0.001777 0.000002 -0.000095 0.000607 3 O -0.014209 0.005352 -0.012521 0.002685 -0.035050 0.001587 4 C -0.022111 -0.063577 0.656797 0.366309 -0.042759 0.004137 5 C -0.029805 -0.027167 -0.035797 -0.038827 0.375803 0.000695 6 C 0.416381 -0.055037 -0.019938 0.003592 -0.042369 0.003960 7 C 4.668247 0.289899 -0.030444 0.000232 0.004547 -0.028949 8 C 0.289899 5.760832 0.289005 0.005099 0.001114 0.356839 9 C -0.030444 0.289005 4.958649 -0.039883 0.005774 -0.025922 10 H 0.000232 0.005099 -0.039883 0.555850 -0.004366 -0.000128 11 H 0.004547 0.001114 0.005774 -0.004366 0.583418 0.000016 12 H -0.028949 0.356839 -0.025922 -0.000128 0.000016 0.540072 13 H 0.002270 -0.038206 0.368571 -0.005296 -0.000144 -0.004313 14 C -0.059613 0.010768 -0.000377 -0.000052 -0.006828 -0.000100 15 H -0.009917 0.000027 -0.000039 0.000007 0.000003 -0.000006 16 H 0.004848 -0.000244 0.000031 -0.000037 0.006687 0.000003 17 C 0.646533 -0.073654 0.002034 0.000011 -0.000143 -0.005641 18 H -0.014734 -0.012205 0.000288 0.000000 0.000003 0.006029 19 H -0.018622 0.006268 -0.000147 0.000000 -0.000006 0.000008 13 14 15 16 17 18 1 S 0.000925 0.000144 -0.000029 0.000023 -0.004246 0.000639 2 O -0.000019 -0.000106 -0.000001 0.000000 0.005866 -0.000194 3 O -0.000118 0.001014 -0.000084 0.000140 0.000072 0.000000 4 C -0.036357 0.001774 -0.000278 0.000381 0.000800 -0.000005 5 C 0.004218 -0.062706 0.005383 -0.010157 0.007697 -0.000176 6 C 0.000436 0.625108 -0.016444 -0.015525 -0.047593 0.005157 7 C 0.002270 -0.059613 -0.009917 0.004848 0.646533 -0.014734 8 C -0.038206 0.010768 0.000027 -0.000244 -0.073654 -0.012205 9 C 0.368571 -0.000377 -0.000039 0.000031 0.002034 0.000288 10 H -0.005296 -0.000052 0.000007 -0.000037 0.000011 0.000000 11 H -0.000144 -0.006828 0.000003 0.006687 -0.000143 0.000003 12 H -0.004313 -0.000100 -0.000006 0.000003 -0.005641 0.006029 13 H 0.551951 0.000010 0.000000 0.000000 -0.000069 -0.000012 14 C 0.000010 5.230078 0.349835 0.351926 -0.027755 0.000088 15 H 0.000000 0.349835 0.550724 -0.040249 0.005253 -0.000113 16 H 0.000000 0.351926 -0.040249 0.552547 0.000133 0.000003 17 C -0.000069 -0.027755 0.005253 0.000133 5.176534 0.352862 18 H -0.000012 0.000088 -0.000113 0.000003 0.352862 0.552693 19 H 0.000003 0.005512 0.004071 -0.000108 0.352794 -0.040672 19 1 S -0.000301 2 O 0.000094 3 O -0.000005 4 C -0.000038 5 C 0.000051 6 C -0.012511 7 C -0.018622 8 C 0.006268 9 C -0.000147 10 H 0.000000 11 H -0.000006 12 H 0.000008 13 H 0.000003 14 C 0.005512 15 H 0.004071 16 H -0.000108 17 C 0.352794 18 H -0.040672 19 H 0.551320 Mulliken charges: 1 1 S 0.916602 2 O -0.547283 3 O -0.569029 4 C -0.094014 5 C -0.015019 6 C 0.228369 7 C 0.213576 8 C -0.470508 9 C -0.097342 10 H 0.154393 11 H 0.153949 12 H 0.176266 13 H 0.156150 14 C -0.418718 15 H 0.151858 16 H 0.149599 17 C -0.391488 18 H 0.150349 19 H 0.152291 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 S 0.916602 2 O -0.547283 3 O -0.569029 4 C 0.060379 5 C 0.138931 6 C 0.228369 7 C 0.213576 8 C -0.294243 9 C 0.058808 14 C -0.117261 17 C -0.088848 Electronic spatial extent (au): = 1508.1679 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -2.3298 Y= -1.8413 Z= 2.8689 Tot= 4.1290 Quadrupole moment (field-independent basis, Debye-Ang): XX= -69.8358 YY= -67.7635 ZZ= -69.1120 XY= -2.2208 XZ= 7.3284 YZ= 2.7520 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.9320 YY= 1.1402 ZZ= -0.2082 XY= -2.2208 XZ= 7.3284 YZ= 2.7520 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 6.0911 YYY= -6.0170 ZZZ= 1.5384 XYY= -12.4699 XXY= -1.1590 XXZ= -6.2219 XZZ= 5.0843 YZZ= -3.8526 YYZ= 6.6274 XYZ= 2.1758 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -841.7963 YYYY= -640.2999 ZZZZ= -438.4881 XXXY= -15.8112 XXXZ= 19.1226 YYYX= 2.4400 YYYZ= 8.7221 ZZZX= 9.8409 ZZZY= -1.4486 XXYY= -254.7253 XXZZ= -215.0670 YYZZ= -181.1903 XXYZ= 10.1946 YYXZ= 9.4312 ZZXY= 7.6410 N-N= 7.325988894536D+02 E-N=-3.481930685216D+03 KE= 8.525480312769D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -89.020547 120.980535 2 O -19.175565 29.026973 3 O -19.130719 29.029664 4 O -10.262779 15.893163 5 O -10.231409 15.888074 6 O -10.214801 15.882053 7 O -10.213161 15.879867 8 O -10.212604 15.881891 9 O -10.208007 15.881547 10 O -10.195292 15.879088 11 O -10.194077 15.879133 12 O -8.061967 18.514673 13 O -6.027300 17.505270 14 O -6.024410 17.509508 15 O -6.019372 17.524254 16 O -1.062969 2.509383 17 O -0.999430 2.726896 18 O -0.867807 1.585716 19 O -0.796998 1.599092 20 O -0.787373 1.700568 21 O -0.720569 1.812978 22 O -0.677992 1.569470 23 O -0.639499 2.207812 24 O -0.618356 1.455318 25 O -0.563438 1.480691 26 O -0.526622 1.139416 27 O -0.508005 1.577508 28 O -0.487943 1.492797 29 O -0.483724 1.370329 30 O -0.455018 1.340214 31 O -0.440936 1.960137 32 O -0.429620 1.310948 33 O -0.420157 1.284668 34 O -0.412975 1.666058 35 O -0.398746 1.758998 36 O -0.379903 1.588880 37 O -0.361702 1.758177 38 O -0.354045 1.614276 39 O -0.325074 1.431467 40 O -0.296495 1.990442 41 O -0.292439 1.961531 42 O -0.274954 1.851155 43 O -0.248709 1.689268 44 O -0.226456 1.684129 45 V -0.045404 1.437039 46 V -0.026654 1.723313 47 V 0.006074 2.391147 48 V 0.039430 1.982405 49 V 0.077227 1.041988 50 V 0.087252 1.672688 51 V 0.099414 1.889552 52 V 0.108018 1.046517 53 V 0.117418 1.731425 54 V 0.140151 1.261381 55 V 0.155768 1.168854 56 V 0.158933 1.252512 57 V 0.176581 1.532352 58 V 0.193138 1.261065 59 V 0.197378 1.693524 60 V 0.213459 1.890832 61 V 0.252077 1.590717 62 V 0.258557 1.969804 63 V 0.300072 1.889318 64 V 0.322874 1.331182 65 V 0.332928 1.658303 66 V 0.351926 2.161312 67 V 0.366110 1.922907 68 V 0.389359 1.845259 69 V 0.404924 2.041616 70 V 0.414968 2.118267 71 V 0.428694 2.198072 72 V 0.475594 1.785282 73 V 0.490488 1.929982 74 V 0.518149 2.033624 75 V 0.530024 2.132101 76 V 0.540002 1.999267 77 V 0.557857 2.212671 78 V 0.568908 2.366438 79 V 0.580923 2.457962 80 V 0.592313 2.256100 81 V 0.625412 2.414117 82 V 0.631348 2.125927 83 V 0.639176 2.385355 84 V 0.658455 2.197249 85 V 0.665420 2.216569 86 V 0.679387 2.423139 87 V 0.686032 2.502332 88 V 0.736486 2.546199 89 V 0.759510 2.459408 90 V 0.778360 2.517079 91 V 0.801353 2.596143 92 V 0.815219 2.680658 93 V 0.819238 2.566659 94 V 0.826541 2.597129 95 V 0.836714 2.656350 96 V 0.848629 2.393516 97 V 0.853356 2.827971 98 V 0.867633 2.715607 99 V 0.890410 2.552711 100 V 0.912604 2.665399 101 V 0.932126 2.551015 102 V 0.949364 2.570908 103 V 0.956104 2.483403 104 V 0.969853 2.518421 105 V 0.983233 2.737142 106 V 0.998133 2.746305 107 V 1.023944 2.838998 108 V 1.064888 2.831016 109 V 1.083324 2.735183 110 V 1.089091 2.913814 111 V 1.113200 3.032241 112 V 1.143462 3.312338 113 V 1.159686 2.356266 114 V 1.176243 2.992250 115 V 1.194075 2.973759 116 V 1.197034 2.546186 117 V 1.234510 2.408090 118 V 1.306544 2.659221 119 V 1.326426 2.525175 120 V 1.337708 2.611526 121 V 1.409772 2.699953 122 V 1.423563 2.650463 123 V 1.458161 2.839540 124 V 1.535145 2.767767 125 V 1.559021 2.916929 126 V 1.587050 2.829263 127 V 1.629680 2.820631 128 V 1.662055 2.941904 129 V 1.698846 2.932871 130 V 1.710599 3.147826 131 V 1.736671 2.962316 132 V 1.747727 3.116279 133 V 1.757733 3.040141 134 V 1.814385 3.202587 135 V 1.832893 2.990636 136 V 1.842370 3.077954 137 V 1.852210 2.966843 138 V 1.865260 3.266513 139 V 1.896719 3.200027 140 V 1.914174 3.330992 141 V 1.930654 3.347820 142 V 1.971351 3.469679 143 V 1.986330 3.575519 144 V 2.021532 3.574672 145 V 2.034988 3.436889 146 V 2.051210 3.389199 147 V 2.090299 3.516945 148 V 2.121645 3.494765 149 V 2.158370 3.504408 150 V 2.172641 3.584348 151 V 2.173474 3.539333 152 V 2.199338 3.718303 153 V 2.220165 3.593889 154 V 2.250824 3.759536 155 V 2.303352 3.718209 156 V 2.344068 3.865028 157 V 2.364021 3.900972 158 V 2.401078 3.938278 159 V 2.411776 4.042689 160 V 2.469197 3.964807 161 V 2.489838 4.004918 162 V 2.500676 4.129437 163 V 2.557910 4.239309 164 V 2.575247 4.116185 165 V 2.652642 4.400666 166 V 2.686187 4.454162 167 V 2.737290 4.473514 168 V 2.748820 4.377133 169 V 2.794114 4.905134 170 V 2.829396 4.646291 171 V 2.881275 4.543123 172 V 2.919186 4.607703 173 V 3.062281 4.877928 174 V 3.140157 4.968959 175 V 3.749116 10.263438 176 V 3.978799 11.892368 177 V 4.071303 11.130030 178 V 4.119880 10.310749 179 V 4.152815 10.106586 180 V 4.198240 10.303483 181 V 4.288840 10.342810 182 V 4.372971 10.244997 183 V 4.444873 10.470754 184 V 4.627248 10.387272 185 V 4.846730 11.841508 Total kinetic energy from orbitals= 8.525480312769D+02 1|1| IMPERIAL COLLEGE-CHWS-280|FOpt|RB3LYP|6-31G(d)|C8H8O2S1|MDF14|16- Nov-2016|0||# opt=noeigen freq b3lyp/6-31g(d) geom=connectivity integr al=grid=ultrafine pop=full gfprint||Title Card Required||0,1|S,1.66779 12465,0.1451652688,-0.1938469033|O,1.6882559469,1.5422769448,-0.696393 2545|O,0.6955171391,-0.8247478957,-1.1958514143|C,-0.4899349819,-1.988 7979177,0.5638233158|C,-0.6463027646,-1.1986885388,-0.7130752533|C,-1. 4550932435,0.0505397465,-0.4102522324|C,-0.816886077,0.8496450335,0.66 3097849|C,0.3695733765,0.1331299851,1.2624143882|C,0.0599365893,-1.296 3220733,1.5699759466|H,-0.7824902234,-3.0321493158,0.6229989701|H,-1.0 752043944,-1.7741918656,-1.5341237594|H,0.8403795692,0.6908915649,2.07 30830996|H,0.2991985872,-1.7201276204,2.540749483|C,-2.601224593,0.322 5780359,-1.0445206488|H,-3.2064346143,1.1903983552,-0.798807075|H,-2.9 735832417,-0.3202350047,-1.8368748404|C,-1.144838966,2.0975022855,1.02 21522436|H,-0.5979647629,2.6245126827,1.7977405749|H,-1.9605755919,2.6 369033291,0.5502955103||Version=EM64W-G09RevD.01|State=1-A|HF=-858.174 3941|RMSD=5.906e-009|RMSF=1.642e-005|Dipole=-0.919627,-0.8436236,1.039 9515|Quadrupole=-0.8675003,0.3688135,0.4986867,-2.1835416,5.1895518,2. 2231462|PG=C01 [X(C8H8O2S1)]||@ CURIOUSER AND CURIOUSER -- ALICE, IN WONDERLAND Job cpu time: 0 days 0 hours 10 minutes 38.0 seconds. File lengths (MBytes): RWF= 18 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Wed Nov 16 12:07:29 2016. Link1: Proceeding to internal job step number 2. -------------------------------------------------------------------- #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) Freq -------------------------------------------------------------------- 1/10=4,11=1,29=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; 1/10=4,11=1,30=1/3; 99//99; Structure from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. S,0,1.6677912465,0.1451652688,-0.1938469033 O,0,1.6882559469,1.5422769448,-0.6963932545 O,0,0.6955171391,-0.8247478957,-1.1958514143 C,0,-0.4899349819,-1.9887979177,0.5638233158 C,0,-0.6463027646,-1.1986885388,-0.7130752533 C,0,-1.4550932435,0.0505397465,-0.4102522324 C,0,-0.816886077,0.8496450335,0.663097849 C,0,0.3695733765,0.1331299851,1.2624143882 C,0,0.0599365893,-1.2963220733,1.5699759466 H,0,-0.7824902234,-3.0321493158,0.6229989701 H,0,-1.0752043944,-1.7741918656,-1.5341237594 H,0,0.8403795692,0.6908915649,2.0730830996 H,0,0.2991985872,-1.7201276204,2.540749483 C,0,-2.601224593,0.3225780359,-1.0445206488 H,0,-3.2064346143,1.1903983552,-0.798807075 H,0,-2.9735832417,-0.3202350047,-1.8368748404 C,0,-1.144838966,2.0975022855,1.0221522436 H,0,-0.5979647629,2.6245126827,1.7977405749 H,0,-1.9605755919,2.6369033291,0.5502955103 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4849 calculate D2E/DX2 analytically ! ! R2 R(1,3) 1.7 calculate D2E/DX2 analytically ! ! R3 R(1,8) 1.951 calculate D2E/DX2 analytically ! ! R4 R(3,5) 1.4742 calculate D2E/DX2 analytically ! ! R5 R(4,5) 1.5097 calculate D2E/DX2 analytically ! ! R6 R(4,9) 1.3395 calculate D2E/DX2 analytically ! ! R7 R(4,10) 1.0852 calculate D2E/DX2 analytically ! ! R8 R(5,6) 1.5187 calculate D2E/DX2 analytically ! ! R9 R(5,11) 1.0905 calculate D2E/DX2 analytically ! ! R10 R(6,7) 1.4826 calculate D2E/DX2 analytically ! ! R11 R(6,14) 1.3379 calculate D2E/DX2 analytically ! ! R12 R(7,8) 1.5101 calculate D2E/DX2 analytically ! ! R13 R(7,17) 1.3393 calculate D2E/DX2 analytically ! ! R14 R(8,9) 1.4946 calculate D2E/DX2 analytically ! ! R15 R(8,12) 1.0908 calculate D2E/DX2 analytically ! ! R16 R(9,13) 1.0859 calculate D2E/DX2 analytically ! ! R17 R(14,15) 1.0862 calculate D2E/DX2 analytically ! ! R18 R(14,16) 1.0861 calculate D2E/DX2 analytically ! ! R19 R(17,18) 1.0855 calculate D2E/DX2 analytically ! ! R20 R(17,19) 1.0858 calculate D2E/DX2 analytically ! ! A1 A(2,1,3) 110.1945 calculate D2E/DX2 analytically ! ! A2 A(2,1,8) 105.5215 calculate D2E/DX2 analytically ! ! A3 A(3,1,8) 93.2025 calculate D2E/DX2 analytically ! ! A4 A(1,3,5) 118.1803 calculate D2E/DX2 analytically ! ! A5 A(5,4,9) 114.0339 calculate D2E/DX2 analytically ! ! A6 A(5,4,10) 121.4241 calculate D2E/DX2 analytically ! ! A7 A(9,4,10) 124.5232 calculate D2E/DX2 analytically ! ! A8 A(3,5,4) 108.3882 calculate D2E/DX2 analytically ! ! A9 A(3,5,6) 109.9607 calculate D2E/DX2 analytically ! ! A10 A(3,5,11) 104.198 calculate D2E/DX2 analytically ! ! A11 A(4,5,6) 108.482 calculate D2E/DX2 analytically ! ! A12 A(4,5,11) 113.6616 calculate D2E/DX2 analytically ! ! A13 A(6,5,11) 112.0095 calculate D2E/DX2 analytically ! ! A14 A(5,6,7) 111.0067 calculate D2E/DX2 analytically ! ! A15 A(5,6,14) 121.9351 calculate D2E/DX2 analytically ! ! A16 A(7,6,14) 127.0431 calculate D2E/DX2 analytically ! ! A17 A(6,7,8) 111.7041 calculate D2E/DX2 analytically ! ! A18 A(6,7,17) 126.2214 calculate D2E/DX2 analytically ! ! A19 A(8,7,17) 121.8778 calculate D2E/DX2 analytically ! ! A20 A(1,8,7) 102.9238 calculate D2E/DX2 analytically ! ! A21 A(1,8,9) 107.2992 calculate D2E/DX2 analytically ! ! A22 A(1,8,12) 105.3294 calculate D2E/DX2 analytically ! ! A23 A(7,8,9) 111.883 calculate D2E/DX2 analytically ! ! A24 A(7,8,12) 113.0442 calculate D2E/DX2 analytically ! ! A25 A(9,8,12) 115.1831 calculate D2E/DX2 analytically ! ! A26 A(4,9,8) 115.1451 calculate D2E/DX2 analytically ! ! A27 A(4,9,13) 124.0682 calculate D2E/DX2 analytically ! ! A28 A(8,9,13) 120.7686 calculate D2E/DX2 analytically ! ! A29 A(6,14,15) 122.1779 calculate D2E/DX2 analytically ! ! A30 A(6,14,16) 121.2791 calculate D2E/DX2 analytically ! ! A31 A(15,14,16) 116.543 calculate D2E/DX2 analytically ! ! A32 A(7,17,18) 121.3688 calculate D2E/DX2 analytically ! ! A33 A(7,17,19) 122.027 calculate D2E/DX2 analytically ! ! A34 A(18,17,19) 116.6018 calculate D2E/DX2 analytically ! ! D1 D(2,1,3,5) -103.9194 calculate D2E/DX2 analytically ! ! D2 D(8,1,3,5) 3.9082 calculate D2E/DX2 analytically ! ! D3 D(2,1,8,7) 47.8853 calculate D2E/DX2 analytically ! ! D4 D(2,1,8,9) 166.0485 calculate D2E/DX2 analytically ! ! D5 D(2,1,8,12) -70.7565 calculate D2E/DX2 analytically ! ! D6 D(3,1,8,7) -64.1003 calculate D2E/DX2 analytically ! ! D7 D(3,1,8,9) 54.0629 calculate D2E/DX2 analytically ! ! D8 D(3,1,8,12) 177.2579 calculate D2E/DX2 analytically ! ! D9 D(1,3,5,4) -60.7951 calculate D2E/DX2 analytically ! ! D10 D(1,3,5,6) 57.6392 calculate D2E/DX2 analytically ! ! D11 D(1,3,5,11) 177.8487 calculate D2E/DX2 analytically ! ! D12 D(9,4,5,3) 63.4591 calculate D2E/DX2 analytically ! ! D13 D(9,4,5,6) -55.9091 calculate D2E/DX2 analytically ! ! D14 D(9,4,5,11) 178.7905 calculate D2E/DX2 analytically ! ! D15 D(10,4,5,3) -115.0317 calculate D2E/DX2 analytically ! ! D16 D(10,4,5,6) 125.6001 calculate D2E/DX2 analytically ! ! D17 D(10,4,5,11) 0.2996 calculate D2E/DX2 analytically ! ! D18 D(5,4,9,8) 2.1077 calculate D2E/DX2 analytically ! ! D19 D(5,4,9,13) -176.3496 calculate D2E/DX2 analytically ! ! D20 D(10,4,9,8) -179.4554 calculate D2E/DX2 analytically ! ! D21 D(10,4,9,13) 2.0873 calculate D2E/DX2 analytically ! ! D22 D(3,5,6,7) -61.8611 calculate D2E/DX2 analytically ! ! D23 D(3,5,6,14) 119.4619 calculate D2E/DX2 analytically ! ! D24 D(4,5,6,7) 56.5153 calculate D2E/DX2 analytically ! ! D25 D(4,5,6,14) -122.1616 calculate D2E/DX2 analytically ! ! D26 D(11,5,6,7) -177.219 calculate D2E/DX2 analytically ! ! D27 D(11,5,6,14) 4.1041 calculate D2E/DX2 analytically ! ! D28 D(5,6,7,8) -6.2665 calculate D2E/DX2 analytically ! ! D29 D(5,6,7,17) 168.6804 calculate D2E/DX2 analytically ! ! D30 D(14,6,7,8) 172.3268 calculate D2E/DX2 analytically ! ! D31 D(14,6,7,17) -12.7263 calculate D2E/DX2 analytically ! ! D32 D(5,6,14,15) 177.0799 calculate D2E/DX2 analytically ! ! D33 D(5,6,14,16) -2.9211 calculate D2E/DX2 analytically ! ! D34 D(7,6,14,15) -1.3727 calculate D2E/DX2 analytically ! ! D35 D(7,6,14,16) 178.6263 calculate D2E/DX2 analytically ! ! D36 D(6,7,8,1) 68.4012 calculate D2E/DX2 analytically ! ! D37 D(6,7,8,9) -46.4931 calculate D2E/DX2 analytically ! ! D38 D(6,7,8,12) -178.4965 calculate D2E/DX2 analytically ! ! D39 D(17,7,8,1) -106.7987 calculate D2E/DX2 analytically ! ! D40 D(17,7,8,9) 138.3069 calculate D2E/DX2 analytically ! ! D41 D(17,7,8,12) 6.3035 calculate D2E/DX2 analytically ! ! D42 D(6,7,17,18) -177.6485 calculate D2E/DX2 analytically ! ! D43 D(6,7,17,19) 1.7727 calculate D2E/DX2 analytically ! ! D44 D(8,7,17,18) -3.1788 calculate D2E/DX2 analytically ! ! D45 D(8,7,17,19) 176.2425 calculate D2E/DX2 analytically ! ! D46 D(1,8,9,4) -61.6295 calculate D2E/DX2 analytically ! ! D47 D(1,8,9,13) 116.8832 calculate D2E/DX2 analytically ! ! D48 D(7,8,9,4) 50.5516 calculate D2E/DX2 analytically ! ! D49 D(7,8,9,13) -130.9357 calculate D2E/DX2 analytically ! ! D50 D(12,8,9,4) -178.5287 calculate D2E/DX2 analytically ! ! D51 D(12,8,9,13) -0.0159 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. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 1.667791 0.145165 -0.193847 2 8 0 1.688256 1.542277 -0.696393 3 8 0 0.695517 -0.824748 -1.195851 4 6 0 -0.489935 -1.988798 0.563823 5 6 0 -0.646303 -1.198689 -0.713075 6 6 0 -1.455093 0.050540 -0.410252 7 6 0 -0.816886 0.849645 0.663098 8 6 0 0.369573 0.133130 1.262414 9 6 0 0.059937 -1.296322 1.569976 10 1 0 -0.782490 -3.032149 0.622999 11 1 0 -1.075204 -1.774192 -1.534124 12 1 0 0.840380 0.690892 2.073083 13 1 0 0.299199 -1.720128 2.540749 14 6 0 -2.601225 0.322578 -1.044521 15 1 0 -3.206435 1.190398 -0.798807 16 1 0 -2.973583 -0.320235 -1.836875 17 6 0 -1.144839 2.097502 1.022152 18 1 0 -0.597965 2.624513 1.797741 19 1 0 -1.960576 2.636903 0.550296 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 O 1.484888 0.000000 3 O 1.700018 2.614918 0.000000 4 C 3.127882 4.336029 2.420075 0.000000 5 C 2.725908 3.600463 1.474241 1.509700 0.000000 6 C 3.131803 3.491103 2.451208 2.457489 1.518689 7 C 2.721078 2.933205 2.923465 2.858935 2.473585 8 C 1.950951 2.749827 2.658353 2.393609 2.590039 9 C 2.788217 3.980640 2.876829 1.339487 2.391784 10 H 4.094685 5.363838 3.219525 1.085206 2.272712 11 H 3.606147 4.397439 2.037480 2.188602 1.090542 12 H 2.474146 3.018899 3.606117 3.350871 3.680138 13 H 3.581952 4.801235 3.862766 2.145496 3.428301 14 C 4.356560 4.473086 3.493961 3.519485 2.499165 15 H 5.021610 4.908391 4.409500 4.398116 3.502765 16 H 4.945553 5.148048 3.758689 3.836139 2.729623 17 C 3.633340 3.359777 4.104388 4.163750 3.758248 18 H 3.904771 3.552287 4.746798 4.776699 4.574210 19 H 4.464029 4.008293 4.699669 4.853873 4.246785 6 7 8 9 10 6 C 0.000000 7 C 1.482551 0.000000 8 C 2.476700 1.510053 0.000000 9 C 2.833841 2.489261 1.494591 0.000000 10 H 3.320087 3.882154 3.428570 2.149313 0.000000 11 H 2.176476 3.432059 3.680473 3.339512 2.514223 12 H 3.441831 2.181694 1.090844 2.193451 4.312480 13 H 3.862799 3.372677 2.252478 1.085937 2.563049 14 C 1.337878 2.525396 3.766096 4.066720 4.164446 15 H 2.125429 2.821918 4.260784 4.739630 5.072174 16 H 2.116256 3.502831 4.581248 4.664935 4.266890 17 C 2.517558 1.339261 2.491973 3.642752 5.157901 18 H 3.497891 2.117899 2.725746 3.982167 5.780302 19 H 2.804896 2.124863 3.493650 4.537894 5.790624 11 12 13 14 15 11 H 0.000000 12 H 4.770539 0.000000 13 H 4.300756 2.514876 0.000000 14 C 2.639108 4.658299 5.043735 0.000000 15 H 3.724463 4.987381 5.649183 1.086171 0.000000 16 H 2.410289 5.554859 5.642198 1.086133 1.847652 17 C 4.639980 2.650302 4.354960 3.089102 2.896361 18 H 5.538743 2.425601 4.498096 4.170180 3.950045 19 H 4.958472 3.735130 5.296433 2.882702 2.337652 16 17 18 19 16 H 0.000000 17 C 4.166989 0.000000 18 H 5.246478 1.085518 0.000000 19 H 3.933120 1.085831 1.847426 0.000000 Stoichiometry C8H8O2S Framework group C1[X(C8H8O2S)] Deg. of freedom 51 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 16 0 1.709197 0.036380 -0.281423 2 8 0 1.764639 1.388567 -0.892494 3 8 0 0.671395 -0.969855 -1.176140 4 6 0 -0.499816 -1.947517 0.702478 5 6 0 -0.667330 -1.253150 -0.627555 6 6 0 -1.420312 0.046102 -0.400891 7 6 0 -0.720161 0.900608 0.587828 8 6 0 0.457689 0.187291 1.207592 9 6 0 0.106120 -1.201026 1.635117 10 1 0 -0.828083 -2.971065 0.851683 11 1 0 -1.142383 -1.873458 -1.388360 12 1 0 0.973629 0.787500 1.958256 13 1 0 0.360143 -1.557360 2.628977 14 6 0 -2.575124 0.312344 -1.021732 15 1 0 -3.140407 1.219327 -0.827816 16 1 0 -2.995246 -0.374986 -1.750264 17 6 0 -0.991147 2.184255 0.856970 18 1 0 -0.401444 2.748172 1.572928 19 1 0 -1.801141 2.716653 0.367591 --------------------------------------------------------------------- Rotational constants (GHZ): 1.3568541 1.1149507 0.9405883 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom S1 Shell 1 S 6 bf 1 - 1 3.229913612930 0.068748210617 -0.531811722591 0.2191710000D+05 0.1869240849D-02 0.3301490000D+04 0.1423030646D-01 0.7541460000D+03 0.6969623166D-01 0.2127110000D+03 0.2384871083D+00 0.6798960000D+02 0.4833072195D+00 0.2305150000D+02 0.3380741536D+00 Atom S1 Shell 2 SP 6 bf 2 - 5 3.229913612930 0.068748210617 -0.531811722591 0.4237350000D+03 -0.2376770499D-02 0.4061009982D-02 0.1007100000D+03 -0.3169300665D-01 0.3068129986D-01 0.3215990000D+02 -0.1133170238D+00 0.1304519994D+00 0.1180790000D+02 0.5609001177D-01 0.3272049985D+00 0.4631100000D+01 0.5922551243D+00 0.4528509980D+00 0.1870250000D+01 0.4550060955D+00 0.2560419989D+00 Atom S1 Shell 3 SP 3 bf 6 - 9 3.229913612930 0.068748210617 -0.531811722591 0.2615840000D+01 -0.2503731142D+00 -0.1451048955D-01 0.9221670000D+00 0.6695676310D-01 0.3102627765D+00 0.3412870000D+00 0.1054506269D+01 0.7544824565D+00 Atom S1 Shell 4 SP 1 bf 10 - 13 3.229913612930 0.068748210617 -0.531811722591 0.1171670000D+00 0.1000000000D+01 0.1000000000D+01 Atom S1 Shell 5 D 1 bf 14 - 19 3.229913612930 0.068748210617 -0.531811722591 0.6500000000D+00 0.1000000000D+01 Atom O2 Shell 6 S 6 bf 20 - 20 3.334684504440 2.624012091298 -1.686568971178 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 O2 Shell 7 SP 3 bf 21 - 24 3.334684504440 2.624012091298 -1.686568971178 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 O2 Shell 8 SP 1 bf 25 - 28 3.334684504440 2.624012091298 -1.686568971178 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O2 Shell 9 D 1 bf 29 - 34 3.334684504440 2.624012091298 -1.686568971178 0.8000000000D+00 0.1000000000D+01 Atom O3 Shell 10 S 6 bf 35 - 35 1.268752852788 -1.832760939785 -2.222583314777 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 O3 Shell 11 SP 3 bf 36 - 39 1.268752852788 -1.832760939785 -2.222583314777 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 O3 Shell 12 SP 1 bf 40 - 43 1.268752852788 -1.832760939785 -2.222583314777 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O3 Shell 13 D 1 bf 44 - 49 1.268752852788 -1.832760939785 -2.222583314777 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 14 S 6 bf 50 - 50 -0.944516104497 -3.680273708772 1.327490262677 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 15 SP 3 bf 51 - 54 -0.944516104497 -3.680273708772 1.327490262677 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 16 SP 1 bf 55 - 58 -0.944516104497 -3.680273708772 1.327490262677 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 17 D 1 bf 59 - 64 -0.944516104497 -3.680273708772 1.327490262677 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 18 S 6 bf 65 - 65 -1.261070021345 -2.368110376505 -1.185907721050 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 19 SP 3 bf 66 - 69 -1.261070021345 -2.368110376505 -1.185907721050 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 20 SP 1 bf 70 - 73 -1.261070021345 -2.368110376505 -1.185907721050 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 21 D 1 bf 74 - 79 -1.261070021345 -2.368110376505 -1.185907721050 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 22 S 6 bf 80 - 80 -2.684001004507 0.087120031506 -0.757574816653 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 23 SP 3 bf 81 - 84 -2.684001004507 0.087120031506 -0.757574816653 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 24 SP 1 bf 85 - 88 -2.684001004507 0.087120031506 -0.757574816653 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 25 D 1 bf 89 - 94 -2.684001004507 0.087120031506 -0.757574816653 0.8000000000D+00 0.1000000000D+01 Atom C7 Shell 26 S 6 bf 95 - 95 -1.360907739318 1.701902029876 1.110834677887 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 C7 Shell 27 SP 3 bf 96 - 99 -1.360907739318 1.701902029876 1.110834677887 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 C7 Shell 28 SP 1 bf 100 - 103 -1.360907739318 1.701902029876 1.110834677887 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 29 D 1 bf 104 - 109 -1.360907739318 1.701902029876 1.110834677887 0.8000000000D+00 0.1000000000D+01 Atom C8 Shell 30 S 6 bf 110 - 110 0.864906972780 0.353928397171 2.282019073533 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 C8 Shell 31 SP 3 bf 111 - 114 0.864906972780 0.353928397171 2.282019073533 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 C8 Shell 32 SP 1 bf 115 - 118 0.864906972780 0.353928397171 2.282019073533 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C8 Shell 33 D 1 bf 119 - 124 0.864906972780 0.353928397171 2.282019073533 0.8000000000D+00 0.1000000000D+01 Atom C9 Shell 34 S 6 bf 125 - 125 0.200538270572 -2.269610547863 3.089923961047 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 C9 Shell 35 SP 3 bf 126 - 129 0.200538270572 -2.269610547863 3.089923961047 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 C9 Shell 36 SP 1 bf 130 - 133 0.200538270572 -2.269610547863 3.089923961047 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 37 D 1 bf 134 - 139 0.200538270572 -2.269610547863 3.089923961047 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 38 S 3 bf 140 - 140 -1.564850664098 -5.614499687431 1.609447101240 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 39 S 1 bf 141 - 141 -1.564850664098 -5.614499687431 1.609447101240 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 40 S 3 bf 142 - 142 -2.158791635195 -3.540322275882 -2.623619776162 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 41 S 1 bf 143 - 143 -2.158791635195 -3.540322275882 -2.623619776162 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 42 S 3 bf 144 - 144 1.839892610478 1.488159175309 3.700566646533 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 43 S 1 bf 145 - 145 1.839892610478 1.488159175309 3.700566646533 0.1612777588D+00 0.1000000000D+01 Atom H13 Shell 44 S 3 bf 146 - 146 0.680571402568 -2.942984383782 4.968046743485 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 45 S 1 bf 147 - 147 0.680571402568 -2.942984383782 4.968046743485 0.1612777588D+00 0.1000000000D+01 Atom C14 Shell 46 S 6 bf 148 - 148 -4.866279034541 0.590245227116 -1.930793494312 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 C14 Shell 47 SP 3 bf 149 - 152 -4.866279034541 0.590245227116 -1.930793494312 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 C14 Shell 48 SP 1 bf 153 - 156 -4.866279034541 0.590245227116 -1.930793494312 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 49 D 1 bf 157 - 162 -4.866279034541 0.590245227116 -1.930793494312 0.8000000000D+00 0.1000000000D+01 Atom H15 Shell 50 S 3 bf 163 - 163 -5.934509325674 2.304194655648 -1.564345866946 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H15 Shell 51 S 1 bf 164 - 164 -5.934509325674 2.304194655648 -1.564345866946 0.1612777588D+00 0.1000000000D+01 Atom H16 Shell 52 S 3 bf 165 - 165 -5.660194032825 -0.708621190879 -3.307519936923 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 53 S 1 bf 166 - 166 -5.660194032825 -0.708621190879 -3.307519936923 0.1612777588D+00 0.1000000000D+01 Atom C17 Shell 54 S 6 bf 167 - 167 -1.872997007072 4.127643856972 1.619438306979 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 C17 Shell 55 SP 3 bf 168 - 171 -1.872997007072 4.127643856972 1.619438306979 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 C17 Shell 56 SP 1 bf 172 - 175 -1.872997007072 4.127643856972 1.619438306979 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 57 D 1 bf 176 - 181 -1.872997007072 4.127643856972 1.619438306979 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 58 S 3 bf 182 - 182 -0.758618550482 5.193292730634 2.972402627613 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 59 S 1 bf 183 - 183 -0.758618550482 5.193292730634 2.972402627613 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 60 S 3 bf 184 - 184 -3.403662461897 5.133730937401 0.694646809620 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 61 S 1 bf 185 - 185 -3.403662461897 5.133730937401 0.694646809620 0.1612777588D+00 0.1000000000D+01 There are 185 symmetry adapted cartesian basis functions of A symmetry. There are 185 symmetry adapted basis functions of A symmetry. 185 basis functions, 364 primitive gaussians, 185 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 732.5988894536 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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= 185 RedAO= T EigKep= 8.17D-04 NBF= 185 NBsUse= 185 1.00D-06 EigRej= -1.00D+00 NBFU= 185 Initial guess from the checkpoint file: "H:\Trans_states_complab\tut_ex3_xyl_chel\extra_exo_product_B3LYP_opt.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Keep R1 ints in memory in canonical form, NReq=151355679. 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) = -858.174394070 A.U. after 1 cycles NFock= 1 Conv=0.57D-08 -V/T= 2.0066 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 185 NBasis= 185 NAE= 44 NBE= 44 NFC= 0 NFV= 0 NROrb= 185 NOA= 44 NOB= 44 NVA= 141 NVB= 141 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 20 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=1111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=151239575. There are 60 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 57 vectors produced by pass 0 Test12= 1.03D-14 1.67D-09 XBig12= 1.27D+02 4.73D+00. AX will form 57 AO Fock derivatives at one time. 57 vectors produced by pass 1 Test12= 1.03D-14 1.67D-09 XBig12= 3.79D+01 1.40D+00. 57 vectors produced by pass 2 Test12= 1.03D-14 1.67D-09 XBig12= 6.81D-01 9.30D-02. 57 vectors produced by pass 3 Test12= 1.03D-14 1.67D-09 XBig12= 5.64D-03 8.50D-03. 57 vectors produced by pass 4 Test12= 1.03D-14 1.67D-09 XBig12= 1.21D-05 5.25D-04. 48 vectors produced by pass 5 Test12= 1.03D-14 1.67D-09 XBig12= 1.42D-08 1.24D-05. 8 vectors produced by pass 6 Test12= 1.03D-14 1.67D-09 XBig12= 1.21D-11 3.49D-07. 3 vectors produced by pass 7 Test12= 1.03D-14 1.67D-09 XBig12= 1.06D-14 1.24D-08. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 344 with 60 vectors. Isotropic polarizability for W= 0.000000 100.66 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -89.02055 -19.17556 -19.13072 -10.26278 -10.23141 Alpha occ. eigenvalues -- -10.21480 -10.21316 -10.21260 -10.20801 -10.19529 Alpha occ. eigenvalues -- -10.19408 -8.06197 -6.02730 -6.02441 -6.01937 Alpha occ. eigenvalues -- -1.06297 -0.99943 -0.86781 -0.79700 -0.78737 Alpha occ. eigenvalues -- -0.72057 -0.67799 -0.63950 -0.61836 -0.56344 Alpha occ. eigenvalues -- -0.52662 -0.50800 -0.48794 -0.48372 -0.45502 Alpha occ. eigenvalues -- -0.44094 -0.42962 -0.42016 -0.41298 -0.39875 Alpha occ. eigenvalues -- -0.37990 -0.36170 -0.35405 -0.32507 -0.29649 Alpha occ. eigenvalues -- -0.29244 -0.27495 -0.24871 -0.22646 Alpha virt. eigenvalues -- -0.04540 -0.02665 0.00607 0.03943 0.07723 Alpha virt. eigenvalues -- 0.08725 0.09941 0.10802 0.11742 0.14015 Alpha virt. eigenvalues -- 0.15577 0.15893 0.17658 0.19314 0.19738 Alpha virt. eigenvalues -- 0.21346 0.25208 0.25856 0.30007 0.32287 Alpha virt. eigenvalues -- 0.33293 0.35193 0.36611 0.38936 0.40492 Alpha virt. eigenvalues -- 0.41497 0.42869 0.47559 0.49049 0.51815 Alpha virt. eigenvalues -- 0.53002 0.54000 0.55786 0.56891 0.58092 Alpha virt. eigenvalues -- 0.59231 0.62541 0.63135 0.63918 0.65845 Alpha virt. eigenvalues -- 0.66542 0.67939 0.68603 0.73649 0.75951 Alpha virt. eigenvalues -- 0.77836 0.80135 0.81522 0.81924 0.82654 Alpha virt. eigenvalues -- 0.83671 0.84863 0.85336 0.86763 0.89041 Alpha virt. eigenvalues -- 0.91260 0.93213 0.94936 0.95610 0.96985 Alpha virt. eigenvalues -- 0.98323 0.99813 1.02394 1.06489 1.08332 Alpha virt. eigenvalues -- 1.08909 1.11320 1.14346 1.15969 1.17624 Alpha virt. eigenvalues -- 1.19408 1.19703 1.23451 1.30654 1.32643 Alpha virt. eigenvalues -- 1.33771 1.40977 1.42356 1.45816 1.53515 Alpha virt. eigenvalues -- 1.55902 1.58705 1.62968 1.66206 1.69885 Alpha virt. eigenvalues -- 1.71060 1.73667 1.74773 1.75773 1.81438 Alpha virt. eigenvalues -- 1.83289 1.84237 1.85221 1.86526 1.89672 Alpha virt. eigenvalues -- 1.91417 1.93065 1.97135 1.98633 2.02153 Alpha virt. eigenvalues -- 2.03499 2.05121 2.09030 2.12165 2.15837 Alpha virt. eigenvalues -- 2.17264 2.17347 2.19934 2.22017 2.25082 Alpha virt. eigenvalues -- 2.30335 2.34407 2.36402 2.40108 2.41178 Alpha virt. eigenvalues -- 2.46920 2.48984 2.50068 2.55791 2.57525 Alpha virt. eigenvalues -- 2.65264 2.68619 2.73729 2.74882 2.79411 Alpha virt. eigenvalues -- 2.82940 2.88127 2.91919 3.06228 3.14016 Alpha virt. eigenvalues -- 3.74912 3.97880 4.07130 4.11988 4.15282 Alpha virt. eigenvalues -- 4.19824 4.28884 4.37297 4.44487 4.62725 Alpha virt. eigenvalues -- 4.84673 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -89.02055 -19.17556 -19.13072 -10.26278 -10.23141 1 1 S 1S 0.99612 0.00001 0.00002 0.00000 0.00000 2 2S 0.01485 0.00007 0.00000 -0.00008 -0.00005 3 2PX -0.00010 0.00004 -0.00001 -0.00008 0.00012 4 2PY 0.00003 0.00006 -0.00001 -0.00002 0.00000 5 2PZ -0.00002 0.00003 0.00000 0.00004 -0.00008 6 3S -0.02418 0.00005 0.00082 0.00004 -0.00030 7 3PX 0.00019 -0.00007 0.00003 0.00065 -0.00086 8 3PY 0.00003 -0.00017 0.00020 0.00019 0.00006 9 3PZ -0.00006 0.00005 -0.00003 -0.00028 0.00063 10 4S 0.00270 -0.00307 -0.00365 -0.00090 0.00482 11 4PX -0.00011 0.00141 0.00095 0.00042 -0.00223 12 4PY -0.00008 0.00020 -0.00158 0.00001 0.00044 13 4PZ 0.00009 0.00058 0.00058 0.00000 0.00070 14 5XX 0.00847 0.00030 -0.00009 -0.00039 0.00032 15 5YY 0.00854 0.00020 0.00001 -0.00024 0.00008 16 5ZZ 0.00850 0.00026 -0.00007 -0.00033 0.00024 17 5XY -0.00001 0.00008 -0.00002 -0.00007 0.00008 18 5XZ 0.00002 0.00008 -0.00001 0.00013 -0.00030 19 5YZ -0.00002 0.00015 -0.00008 -0.00003 -0.00002 20 2 O 1S 0.00003 -0.00005 0.99278 0.00000 0.00008 21 2S 0.00009 -0.00023 0.02576 -0.00004 0.00035 22 2PX 0.00000 0.00002 -0.00003 -0.00001 -0.00005 23 2PY 0.00009 0.00000 -0.00084 -0.00002 -0.00001 24 2PZ -0.00004 0.00002 0.00039 0.00000 -0.00003 25 3S -0.00001 0.00133 0.01206 0.00019 -0.00194 26 3PX 0.00001 -0.00024 -0.00025 -0.00006 0.00044 27 3PY -0.00017 -0.00037 -0.00054 0.00000 0.00037 28 3PZ 0.00006 0.00003 0.00024 0.00002 -0.00016 29 4XX 0.00011 -0.00013 -0.00801 0.00000 0.00020 30 4YY -0.00012 -0.00010 -0.00801 0.00001 0.00019 31 4ZZ 0.00006 -0.00014 -0.00802 0.00001 0.00024 32 4XY -0.00001 0.00001 0.00003 0.00001 -0.00007 33 4XZ 0.00000 -0.00004 -0.00001 -0.00001 -0.00005 34 4YZ 0.00012 -0.00002 0.00000 0.00000 -0.00001 35 3 O 1S 0.00000 0.99271 -0.00005 -0.00029 0.00013 36 2S 0.00005 0.02564 -0.00022 -0.00112 0.00061 37 2PX 0.00004 -0.00029 -0.00001 0.00004 0.00006 38 2PY 0.00001 0.00029 -0.00004 -0.00004 0.00006 39 2PZ 0.00000 0.00067 0.00001 -0.00006 -0.00004 40 3S 0.00009 0.01307 0.00120 0.00838 -0.00436 41 3PX 0.00002 -0.00007 0.00013 -0.00180 0.00060 42 3PY 0.00013 0.00032 0.00045 0.00030 -0.00057 43 3PZ 0.00016 0.00034 0.00009 0.00165 -0.00089 44 4XX 0.00000 -0.00832 -0.00013 -0.00103 0.00026 45 4YY -0.00003 -0.00821 -0.00012 -0.00068 0.00028 46 4ZZ -0.00001 -0.00826 -0.00013 -0.00057 0.00035 47 4XY -0.00004 0.00000 0.00002 -0.00016 0.00002 48 4XZ -0.00007 0.00005 0.00000 0.00007 0.00007 49 4YZ -0.00004 0.00001 0.00003 0.00010 0.00004 50 4 C 1S 0.00001 0.00002 0.00001 0.00220 0.00013 51 2S 0.00005 0.00016 0.00001 -0.00046 0.00017 52 2PX 0.00001 0.00000 0.00002 0.00004 -0.00004 53 2PY 0.00000 0.00004 0.00002 0.00014 -0.00014 54 2PZ 0.00000 -0.00004 0.00000 -0.00010 0.00010 55 3S -0.00012 -0.00060 0.00029 0.01265 -0.00665 56 3PX -0.00004 -0.00003 0.00008 0.00144 -0.00108 57 3PY -0.00003 -0.00045 0.00014 0.00626 -0.00398 58 3PZ 0.00006 0.00012 0.00006 -0.00335 0.00129 59 4XX 0.00001 0.00000 0.00003 -0.00013 0.00000 60 4YY 0.00001 0.00004 0.00001 0.00001 0.00001 61 4ZZ 0.00001 0.00001 0.00001 -0.00021 -0.00005 62 4XY -0.00002 -0.00002 0.00000 0.00019 -0.00003 63 4XZ 0.00001 0.00002 0.00000 -0.00003 0.00003 64 4YZ 0.00001 0.00005 0.00000 -0.00002 0.00008 65 5 C 1S 0.00000 0.00001 0.00000 0.99352 0.00008 66 2S 0.00002 0.00008 0.00002 0.05167 -0.00167 67 2PX -0.00004 0.00028 -0.00001 0.00089 -0.00020 68 2PY -0.00001 0.00005 -0.00002 0.00052 -0.00019 69 2PZ 0.00001 -0.00012 0.00000 0.00042 -0.00026 70 3S 0.00008 -0.00121 -0.00035 -0.03429 0.01181 71 3PX -0.00008 -0.00090 0.00003 -0.00284 0.00173 72 3PY -0.00007 -0.00005 -0.00024 -0.00626 0.00401 73 3PZ -0.00007 0.00074 -0.00005 -0.00692 0.00442 74 4XX -0.00005 0.00037 0.00001 -0.00837 -0.00031 75 4YY -0.00002 0.00008 -0.00003 -0.00838 -0.00029 76 4ZZ 0.00000 0.00014 -0.00001 -0.00829 -0.00028 77 4XY -0.00003 0.00003 -0.00001 0.00020 -0.00005 78 4XZ -0.00001 -0.00017 0.00000 0.00017 -0.00002 79 4YZ 0.00001 -0.00004 0.00001 0.00017 -0.00001 80 6 C 1S 0.00001 0.00001 -0.00002 0.00230 0.00006 81 2S 0.00006 0.00011 -0.00008 -0.00035 0.00015 82 2PX 0.00001 0.00001 -0.00004 -0.00004 -0.00001 83 2PY -0.00001 -0.00006 -0.00001 0.00007 0.00003 84 2PZ -0.00001 -0.00001 0.00001 0.00009 -0.00005 85 3S -0.00027 -0.00041 0.00041 0.00893 -0.00416 86 3PX -0.00015 -0.00015 0.00046 0.00741 -0.00413 87 3PY 0.00000 0.00023 -0.00013 -0.00705 0.00393 88 3PZ 0.00002 -0.00014 -0.00007 0.00045 -0.00027 89 4XX -0.00001 -0.00004 -0.00003 0.00009 -0.00010 90 4YY 0.00002 -0.00002 -0.00003 -0.00020 0.00001 91 4ZZ 0.00003 0.00004 -0.00005 -0.00013 0.00004 92 4XY 0.00000 0.00001 0.00001 -0.00005 0.00010 93 4XZ -0.00001 0.00001 -0.00001 0.00009 0.00004 94 4YZ -0.00001 0.00001 0.00001 -0.00001 0.00001 95 7 C 1S 0.00000 -0.00004 0.00000 -0.00004 0.00763 96 2S 0.00002 -0.00016 -0.00003 -0.00001 0.00022 97 2PX -0.00004 -0.00003 0.00004 0.00001 -0.00013 98 2PY 0.00002 0.00001 0.00006 0.00010 -0.00003 99 2PZ 0.00000 0.00001 -0.00002 0.00008 -0.00019 100 3S -0.00022 0.00075 -0.00042 -0.00476 0.00712 101 3PX -0.00014 0.00027 -0.00033 -0.00383 0.00539 102 3PY -0.00002 -0.00031 0.00004 0.00399 -0.00483 103 3PZ -0.00013 -0.00019 -0.00011 -0.00099 0.00225 104 4XX -0.00003 -0.00005 0.00002 -0.00004 -0.00026 105 4YY -0.00004 -0.00005 -0.00003 -0.00012 -0.00002 106 4ZZ -0.00001 -0.00005 0.00004 -0.00006 -0.00015 107 4XY 0.00001 -0.00002 0.00002 0.00007 0.00000 108 4XZ 0.00000 -0.00003 -0.00003 0.00004 -0.00011 109 4YZ 0.00000 0.00002 -0.00001 0.00005 0.00009 110 8 C 1S -0.00004 -0.00002 -0.00004 -0.00075 0.99326 111 2S -0.00013 -0.00010 -0.00025 -0.00167 0.05152 112 2PX 0.00008 0.00004 0.00000 -0.00001 0.00001 113 2PY 0.00000 -0.00001 0.00000 0.00023 -0.00037 114 2PZ -0.00005 -0.00002 0.00002 0.00045 -0.00067 115 3S 0.00076 0.00036 0.00170 0.01159 -0.02878 116 3PX -0.00015 0.00036 0.00005 -0.00418 0.00444 117 3PY -0.00009 0.00012 0.00001 -0.00311 0.00272 118 3PZ -0.00015 -0.00034 -0.00078 -0.00424 0.00468 119 4XX -0.00003 -0.00002 -0.00004 -0.00038 -0.00871 120 4YY -0.00004 -0.00005 -0.00004 -0.00024 -0.00862 121 4ZZ -0.00002 0.00000 -0.00001 -0.00042 -0.00853 122 4XY -0.00001 -0.00001 0.00000 0.00003 0.00008 123 4XZ -0.00003 -0.00004 -0.00003 0.00017 0.00003 124 4YZ -0.00001 0.00000 0.00000 0.00000 0.00014 125 9 C 1S 0.00001 -0.00002 0.00002 0.00006 0.00748 126 2S 0.00005 -0.00009 0.00008 0.00013 0.00001 127 2PX 0.00000 0.00000 0.00002 0.00001 -0.00002 128 2PY -0.00003 -0.00002 -0.00001 -0.00003 -0.00008 129 2PZ 0.00002 -0.00001 -0.00002 0.00013 -0.00006 130 3S -0.00037 0.00071 -0.00061 -0.00783 0.00994 131 3PX -0.00008 -0.00003 -0.00001 0.00097 -0.00047 132 3PY -0.00011 0.00021 -0.00009 -0.00220 0.00359 133 3PZ 0.00007 -0.00032 0.00048 0.00432 -0.00417 134 4XX -0.00001 -0.00004 0.00004 0.00002 -0.00024 135 4YY -0.00001 -0.00002 0.00003 -0.00006 -0.00038 136 4ZZ -0.00001 0.00001 0.00002 0.00007 -0.00006 137 4XY -0.00001 0.00000 -0.00002 0.00002 -0.00009 138 4XZ 0.00000 -0.00002 0.00000 0.00001 0.00004 139 4YZ 0.00002 -0.00001 0.00002 0.00002 0.00003 140 10 H 1S 0.00001 -0.00003 0.00000 0.00000 -0.00013 141 2S -0.00001 -0.00012 0.00002 0.00154 -0.00094 142 11 H 1S -0.00002 0.00012 0.00000 -0.00014 0.00004 143 2S -0.00005 0.00010 -0.00002 0.00073 0.00146 144 12 H 1S -0.00002 -0.00001 -0.00006 0.00010 -0.00012 145 2S -0.00012 -0.00008 0.00020 0.00178 0.00096 146 13 H 1S 0.00002 0.00000 -0.00001 -0.00018 0.00000 147 2S 0.00001 0.00008 -0.00014 -0.00104 0.00109 148 14 C 1S 0.00000 0.00000 0.00000 -0.00004 -0.00005 149 2S 0.00000 -0.00001 0.00000 -0.00016 -0.00011 150 2PX 0.00000 -0.00002 0.00001 -0.00001 -0.00006 151 2PY 0.00000 0.00001 0.00000 0.00006 -0.00001 152 2PZ 0.00000 0.00002 0.00001 0.00000 -0.00002 153 3S 0.00000 -0.00001 0.00014 0.00372 -0.00160 154 3PX 0.00001 0.00003 0.00001 0.00105 -0.00024 155 3PY 0.00000 -0.00012 -0.00002 0.00116 -0.00079 156 3PZ -0.00004 -0.00006 0.00008 0.00164 -0.00079 157 4XX 0.00001 -0.00001 0.00000 -0.00008 0.00001 158 4YY 0.00000 -0.00002 0.00000 -0.00002 -0.00003 159 4ZZ 0.00000 0.00000 0.00001 0.00000 -0.00007 160 4XY 0.00000 -0.00001 0.00000 0.00006 -0.00006 161 4XZ 0.00000 0.00001 0.00001 0.00008 0.00001 162 4YZ 0.00000 0.00000 -0.00001 0.00008 -0.00001 163 15 H 1S 0.00000 0.00001 0.00000 -0.00017 0.00007 164 2S -0.00001 0.00007 -0.00001 -0.00053 0.00043 165 16 H 1S 0.00000 -0.00002 0.00000 0.00003 -0.00005 166 2S -0.00002 -0.00006 0.00001 0.00058 -0.00038 167 17 C 1S 0.00001 0.00000 0.00001 -0.00005 0.00004 168 2S 0.00001 0.00001 0.00000 -0.00016 -0.00011 169 2PX 0.00002 -0.00001 0.00004 0.00001 -0.00005 170 2PY -0.00002 0.00000 -0.00002 0.00006 0.00004 171 2PZ -0.00001 0.00000 -0.00003 0.00000 -0.00005 172 3S -0.00003 0.00006 -0.00002 -0.00128 0.00208 173 3PX -0.00001 -0.00004 0.00004 0.00077 -0.00088 174 3PY -0.00001 -0.00001 0.00000 0.00025 -0.00086 175 3PZ 0.00005 0.00004 0.00007 0.00062 -0.00092 176 4XX 0.00002 -0.00001 0.00004 -0.00003 -0.00002 177 4YY 0.00003 0.00000 0.00003 0.00001 -0.00001 178 4ZZ 0.00002 -0.00001 0.00003 -0.00008 0.00001 179 4XY 0.00000 0.00001 -0.00001 -0.00008 0.00006 180 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00008 181 4YZ -0.00001 -0.00001 0.00000 0.00002 0.00006 182 18 H 1S 0.00000 0.00000 0.00000 -0.00005 0.00003 183 2S 0.00001 0.00001 -0.00003 -0.00033 0.00043 184 19 H 1S 0.00000 0.00001 0.00000 0.00005 -0.00011 185 2S 0.00002 -0.00002 0.00003 0.00046 -0.00035 6 7 8 9 10 O O O O O Eigenvalues -- -10.21480 -10.21316 -10.21260 -10.20801 -10.19529 1 1 S 1S -0.00001 -0.00001 -0.00001 0.00000 0.00000 2 2S -0.00019 -0.00011 -0.00006 -0.00002 -0.00001 3 2PX 0.00001 -0.00001 -0.00003 -0.00001 0.00000 4 2PY 0.00000 0.00000 -0.00001 -0.00003 0.00000 5 2PZ 0.00003 0.00002 0.00000 0.00000 0.00001 6 3S -0.00080 -0.00043 -0.00026 -0.00009 -0.00001 7 3PX 0.00004 0.00009 0.00020 0.00009 0.00004 8 3PY -0.00003 0.00004 0.00012 0.00016 0.00001 9 3PZ -0.00019 -0.00019 -0.00001 0.00004 -0.00005 10 4S 0.00394 0.00158 0.00146 0.00016 -0.00001 11 4PX -0.00191 -0.00095 -0.00069 -0.00016 0.00001 12 4PY 0.00076 -0.00069 0.00025 -0.00021 0.00001 13 4PZ -0.00001 0.00055 -0.00014 -0.00001 0.00000 14 5XX -0.00001 -0.00014 -0.00014 -0.00004 -0.00002 15 5YY -0.00014 -0.00014 0.00000 -0.00009 -0.00003 16 5ZZ -0.00022 -0.00012 -0.00006 0.00000 -0.00003 17 5XY 0.00000 0.00011 0.00002 -0.00004 -0.00001 18 5XZ -0.00002 -0.00005 -0.00001 -0.00001 0.00003 19 5YZ 0.00001 0.00000 -0.00003 0.00003 0.00000 20 2 O 1S 0.00005 -0.00002 0.00006 -0.00001 0.00000 21 2S 0.00027 -0.00009 0.00026 -0.00003 0.00000 22 2PX 0.00008 -0.00005 -0.00003 -0.00001 0.00000 23 2PY -0.00003 0.00000 -0.00004 0.00000 0.00000 24 2PZ -0.00004 0.00000 0.00001 0.00000 0.00000 25 3S -0.00172 0.00040 -0.00125 0.00014 0.00001 26 3PX -0.00001 0.00020 0.00019 0.00004 -0.00001 27 3PY 0.00042 -0.00002 0.00032 -0.00002 0.00000 28 3PZ -0.00005 0.00003 -0.00013 0.00003 0.00000 29 4XX 0.00018 -0.00008 0.00018 -0.00002 0.00000 30 4YY 0.00011 -0.00007 0.00015 -0.00002 0.00000 31 4ZZ 0.00008 -0.00006 0.00019 -0.00002 0.00000 32 4XY -0.00005 -0.00002 -0.00002 0.00000 0.00000 33 4XZ -0.00006 -0.00001 0.00001 0.00000 0.00000 34 4YZ -0.00004 -0.00002 0.00002 -0.00001 0.00000 35 3 O 1S 0.00009 0.00002 -0.00005 -0.00008 0.00000 36 2S 0.00037 0.00008 -0.00026 -0.00039 0.00001 37 2PX 0.00004 0.00003 0.00011 0.00004 -0.00002 38 2PY 0.00007 0.00001 -0.00006 0.00005 0.00001 39 2PZ -0.00001 -0.00002 -0.00003 -0.00011 0.00000 40 3S -0.00200 -0.00042 0.00097 0.00145 0.00006 41 3PX -0.00025 -0.00039 -0.00071 -0.00037 0.00003 42 3PY -0.00068 -0.00010 0.00013 -0.00016 -0.00004 43 3PZ -0.00019 -0.00006 0.00030 0.00061 0.00009 44 4XX 0.00027 0.00009 -0.00006 -0.00025 0.00001 45 4YY 0.00020 0.00002 -0.00016 -0.00033 0.00002 46 4ZZ 0.00025 0.00006 -0.00023 -0.00012 0.00004 47 4XY -0.00001 0.00001 -0.00011 0.00005 0.00001 48 4XZ -0.00003 -0.00005 -0.00011 -0.00007 -0.00002 49 4YZ -0.00003 -0.00001 0.00006 -0.00011 0.00000 50 4 C 1S -0.00025 0.08133 -0.00119 0.98949 -0.00001 51 2S 0.00004 0.00345 -0.00066 0.04967 0.00001 52 2PX 0.00003 -0.00014 0.00006 0.00006 0.00001 53 2PY -0.00003 -0.00020 -0.00013 0.00043 0.00002 54 2PZ -0.00004 -0.00021 0.00002 -0.00022 -0.00001 55 3S -0.00109 0.00571 0.00391 -0.01633 0.00039 56 3PX -0.00021 0.00144 0.00022 -0.00123 0.00016 57 3PY -0.00083 0.00272 0.00273 -0.00315 0.00024 58 3PZ 0.00002 0.00117 -0.00081 -0.00017 -0.00005 59 4XX 0.00001 -0.00095 -0.00025 -0.00932 0.00001 60 4YY -0.00002 -0.00094 0.00001 -0.00908 0.00002 61 4ZZ 0.00003 -0.00105 -0.00011 -0.00917 0.00003 62 4XY -0.00001 -0.00001 -0.00007 0.00021 0.00002 63 4XZ 0.00002 -0.00006 0.00006 0.00012 -0.00001 64 4YZ 0.00000 -0.00003 -0.00008 0.00005 -0.00001 65 5 C 1S -0.00017 -0.00020 -0.00240 -0.00234 0.00006 66 2S -0.00025 0.00005 0.00038 0.00026 -0.00008 67 2PX 0.00005 0.00000 0.00003 0.00000 0.00009 68 2PY -0.00008 0.00012 0.00001 -0.00001 0.00000 69 2PZ 0.00002 -0.00004 0.00004 0.00003 0.00005 70 3S 0.00139 -0.00130 -0.00090 0.00014 -0.00024 71 3PX -0.00056 -0.00043 -0.00135 0.00030 -0.00038 72 3PY 0.00054 -0.00040 0.00031 -0.00199 -0.00015 73 3PZ 0.00000 -0.00032 -0.00148 0.00060 -0.00043 74 4XX -0.00003 0.00000 -0.00012 -0.00006 0.00002 75 4YY 0.00001 0.00005 -0.00024 -0.00016 0.00004 76 4ZZ -0.00003 0.00010 -0.00004 -0.00023 -0.00003 77 4XY -0.00001 0.00003 0.00021 0.00005 -0.00005 78 4XZ 0.00006 0.00008 0.00005 0.00002 0.00003 79 4YZ 0.00003 0.00003 -0.00002 0.00018 0.00003 80 6 C 1S 0.06664 -0.00078 0.99033 0.00104 -0.02461 81 2S 0.00309 -0.00010 0.04962 -0.00050 -0.00175 82 2PX -0.00009 0.00004 0.00026 -0.00001 0.00037 83 2PY -0.00016 -0.00003 -0.00018 0.00021 -0.00008 84 2PZ -0.00022 -0.00007 0.00017 -0.00006 0.00020 85 3S 0.00384 0.00043 -0.01706 0.00304 0.00532 86 3PX 0.00168 -0.00043 -0.00071 0.00150 -0.00125 87 3PY 0.00259 0.00029 -0.00126 -0.00240 0.00049 88 3PZ 0.00277 -0.00029 -0.00156 0.00070 -0.00052 89 4XX -0.00089 -0.00001 -0.00876 -0.00019 -0.00007 90 4YY -0.00089 0.00006 -0.00919 -0.00007 -0.00002 91 4ZZ -0.00097 -0.00003 -0.00914 -0.00014 0.00001 92 4XY -0.00007 -0.00001 -0.00014 -0.00011 0.00006 93 4XZ -0.00015 0.00000 0.00031 0.00007 -0.00010 94 4YZ -0.00015 0.00002 -0.00002 -0.00006 -0.00004 95 7 C 1S 0.99044 0.00259 -0.06693 -0.00002 0.00029 96 2S 0.04978 -0.00014 -0.00361 0.00005 0.00001 97 2PX 0.00034 -0.00003 0.00014 0.00006 0.00006 98 2PY -0.00030 0.00017 0.00019 0.00000 -0.00003 99 2PZ -0.00013 -0.00015 0.00021 0.00005 0.00002 100 3S -0.01829 0.00046 0.00595 -0.00073 -0.00107 101 3PX 0.00023 0.00081 -0.00186 -0.00051 -0.00034 102 3PY 0.00133 -0.00187 -0.00221 0.00115 0.00077 103 3PZ 0.00174 0.00072 -0.00245 -0.00018 0.00014 104 4XX -0.00914 -0.00010 0.00037 0.00003 0.00001 105 4YY -0.00869 -0.00005 0.00024 -0.00003 0.00002 106 4ZZ -0.00917 -0.00014 0.00028 0.00005 0.00002 107 4XY -0.00014 -0.00001 -0.00008 -0.00001 0.00003 108 4XZ 0.00000 0.00007 -0.00011 0.00003 0.00003 109 4YZ 0.00013 -0.00007 -0.00020 0.00000 0.00004 110 8 C 1S -0.00767 -0.00767 0.00047 0.00052 -0.00001 111 2S 0.00000 -0.00027 -0.00014 -0.00013 -0.00015 112 2PX 0.00014 0.00008 0.00003 -0.00002 -0.00003 113 2PY 0.00000 0.00007 -0.00007 0.00007 0.00002 114 2PZ -0.00006 -0.00004 0.00002 -0.00007 0.00002 115 3S 0.00069 0.00222 0.00060 -0.00046 0.00118 116 3PX -0.00127 -0.00014 -0.00041 -0.00023 -0.00050 117 3PY 0.00096 -0.00179 -0.00009 0.00044 -0.00019 118 3PZ 0.00040 0.00088 0.00039 -0.00009 -0.00048 119 4XX -0.00018 -0.00002 0.00004 0.00001 -0.00001 120 4YY 0.00000 -0.00024 0.00009 0.00010 -0.00004 121 4ZZ 0.00004 -0.00007 -0.00002 0.00007 -0.00003 122 4XY 0.00018 -0.00008 -0.00003 0.00007 0.00000 123 4XZ -0.00012 0.00001 0.00009 0.00005 0.00003 124 4YZ 0.00004 0.00018 0.00004 0.00001 -0.00001 125 9 C 1S -0.00270 0.98943 0.00106 -0.08184 0.00000 126 2S -0.00044 0.04956 0.00015 -0.00474 0.00001 127 2PX 0.00006 0.00010 0.00008 0.00015 -0.00001 128 2PY -0.00011 0.00034 0.00007 0.00012 -0.00001 129 2PZ 0.00002 -0.00033 0.00005 0.00031 0.00000 130 3S 0.00173 -0.01644 -0.00228 0.00793 -0.00048 131 3PX -0.00047 0.00064 0.00040 -0.00131 0.00007 132 3PY 0.00064 -0.00095 -0.00061 -0.00062 -0.00011 133 3PZ -0.00105 0.00323 0.00115 -0.00311 0.00032 134 4XX -0.00004 -0.00934 -0.00001 0.00058 0.00001 135 4YY -0.00002 -0.00921 0.00002 0.00048 -0.00001 136 4ZZ -0.00009 -0.00907 -0.00001 0.00054 0.00000 137 4XY -0.00004 0.00010 0.00002 -0.00008 -0.00001 138 4XZ 0.00010 0.00016 0.00000 -0.00006 0.00001 139 4YZ -0.00008 0.00004 0.00003 -0.00006 0.00000 140 10 H 1S -0.00003 -0.00003 0.00008 -0.00049 0.00001 141 2S -0.00025 0.00071 0.00078 0.00129 0.00009 142 11 H 1S -0.00006 -0.00004 -0.00008 -0.00006 -0.00008 143 2S -0.00003 0.00003 -0.00059 -0.00030 -0.00024 144 12 H 1S 0.00002 -0.00003 -0.00003 -0.00003 0.00001 145 2S -0.00039 -0.00016 -0.00003 0.00022 0.00017 146 13 H 1S 0.00004 -0.00047 -0.00003 0.00002 -0.00001 147 2S 0.00037 0.00125 -0.00028 0.00039 -0.00009 148 14 C 1S 0.00137 -0.00002 0.02407 0.00005 0.99241 149 2S -0.00006 0.00001 0.00066 0.00004 0.04937 150 2PX -0.00001 -0.00002 -0.00039 -0.00001 0.00012 151 2PY -0.00003 -0.00001 0.00009 -0.00002 -0.00004 152 2PZ -0.00004 0.00000 -0.00022 0.00001 0.00007 153 3S 0.00075 -0.00050 0.00415 0.00046 -0.01302 154 3PX 0.00042 -0.00019 0.00138 0.00028 -0.00087 155 3PY -0.00084 0.00007 0.00021 0.00080 0.00014 156 3PZ -0.00023 -0.00010 0.00119 0.00024 -0.00052 157 4XX 0.00004 0.00000 -0.00060 0.00005 -0.00934 158 4YY 0.00001 0.00001 -0.00045 -0.00001 -0.00953 159 4ZZ -0.00006 0.00000 -0.00042 0.00000 -0.00959 160 4XY -0.00009 0.00000 0.00009 0.00004 -0.00015 161 4XZ 0.00003 0.00000 -0.00012 -0.00001 0.00026 162 4YZ 0.00001 0.00000 0.00000 0.00004 0.00009 163 15 H 1S 0.00002 0.00000 -0.00013 -0.00005 -0.00033 164 2S 0.00037 -0.00001 -0.00036 -0.00026 0.00223 165 16 H 1S -0.00006 0.00002 -0.00004 0.00005 -0.00033 166 2S -0.00019 -0.00001 0.00015 0.00040 0.00214 167 17 C 1S 0.01988 0.00007 -0.00158 -0.00004 -0.00169 168 2S 0.00045 -0.00004 -0.00016 -0.00004 -0.00009 169 2PX -0.00005 0.00000 0.00003 0.00001 0.00003 170 2PY 0.00040 -0.00005 -0.00003 0.00002 0.00002 171 2PZ 0.00007 0.00003 0.00004 0.00003 0.00004 172 3S 0.00406 0.00117 0.00019 -0.00044 -0.00016 173 3PX 0.00005 -0.00006 0.00059 -0.00007 -0.00012 174 3PY -0.00161 -0.00051 -0.00023 0.00013 0.00014 175 3PZ -0.00079 -0.00064 0.00035 0.00002 -0.00011 176 4XX -0.00035 0.00002 0.00004 -0.00002 -0.00001 177 4YY -0.00055 0.00002 0.00013 0.00000 -0.00001 178 4ZZ -0.00032 0.00001 0.00000 -0.00002 -0.00002 179 4XY 0.00005 -0.00002 -0.00009 -0.00001 -0.00002 180 4XZ -0.00004 -0.00001 0.00005 0.00001 0.00000 181 4YZ -0.00001 0.00005 0.00000 0.00000 -0.00001 182 18 H 1S -0.00004 0.00000 -0.00004 0.00002 0.00002 183 2S 0.00009 0.00031 -0.00007 -0.00002 0.00005 184 19 H 1S -0.00012 -0.00006 0.00001 -0.00001 -0.00001 185 2S -0.00029 -0.00011 0.00035 -0.00001 -0.00022 11 12 13 14 15 O O O O O Eigenvalues -- -10.19408 -8.06197 -6.02730 -6.02441 -6.01937 1 1 S 1S 0.00000 -0.27981 -0.00104 -0.00067 -0.00328 2 2S 0.00000 1.02278 0.00400 0.00282 0.01226 3 2PX 0.00000 -0.00976 0.49072 -0.30717 0.80431 4 2PY 0.00001 0.00439 0.75613 -0.28729 -0.57185 5 2PZ 0.00001 -0.00474 0.41072 0.89701 0.09206 6 3S -0.00012 0.07565 -0.00016 0.00160 -0.00108 7 3PX 0.00000 -0.00293 0.01635 -0.01042 0.02398 8 3PY -0.00003 0.00089 0.02588 -0.01080 -0.01772 9 3PZ -0.00004 -0.00033 0.01240 0.02898 0.00308 10 4S 0.00053 -0.01702 -0.00173 -0.00708 -0.00582 11 4PX -0.00022 0.00322 -0.00272 0.00513 -0.00430 12 4PY 0.00016 -0.00008 -0.00497 0.00102 0.00312 13 4PZ -0.00001 -0.00105 -0.00307 -0.00636 -0.00060 14 5XX 0.00002 -0.01581 -0.00133 0.00142 -0.00067 15 5YY 0.00004 -0.01508 0.00170 -0.00168 -0.00056 16 5ZZ 0.00004 -0.01565 -0.00016 -0.00010 0.00045 17 5XY 0.00005 0.00067 -0.00149 -0.00013 0.00071 18 5XZ -0.00001 -0.00003 -0.00140 -0.00153 -0.00015 19 5YZ -0.00004 -0.00020 -0.00167 0.00123 0.00066 20 2 O 1S 0.00001 -0.00023 -0.00023 0.00007 0.00006 21 2S 0.00006 -0.00024 0.00023 -0.00115 -0.00083 22 2PX 0.00003 0.00009 -0.00007 0.00013 0.00002 23 2PY -0.00004 -0.00012 -0.00005 0.00019 0.00023 24 2PZ -0.00001 0.00006 -0.00005 -0.00015 -0.00009 25 3S -0.00029 0.00038 -0.00187 0.00670 0.00503 26 3PX -0.00003 -0.00044 -0.00006 -0.00071 -0.00082 27 3PY 0.00017 0.00201 0.00273 -0.00448 -0.00291 28 3PZ -0.00002 -0.00081 -0.00156 0.00172 0.00133 29 4XX 0.00001 -0.00021 0.00011 -0.00071 -0.00040 30 4YY -0.00001 -0.00036 -0.00018 0.00033 -0.00048 31 4ZZ 0.00001 -0.00020 -0.00038 -0.00091 -0.00045 32 4XY -0.00001 0.00005 0.00029 0.00001 0.00070 33 4XZ 0.00000 0.00001 -0.00006 0.00006 -0.00030 34 4YZ 0.00001 0.00009 0.00071 0.00008 -0.00010 35 3 O 1S 0.00002 -0.00007 -0.00011 -0.00003 -0.00022 36 2S 0.00009 0.00006 -0.00144 -0.00015 -0.00107 37 2PX 0.00000 -0.00005 0.00000 -0.00014 0.00007 38 2PY 0.00002 -0.00003 -0.00018 -0.00021 -0.00014 39 2PZ 0.00001 0.00007 -0.00026 -0.00005 -0.00005 40 3S -0.00056 -0.00027 0.00511 -0.00049 0.00567 41 3PX 0.00007 -0.00021 0.00259 0.00246 -0.00063 42 3PY -0.00011 -0.00091 0.00343 0.00181 0.00141 43 3PZ -0.00012 -0.00166 0.00391 -0.00026 0.00125 44 4XX 0.00005 -0.00043 -0.00012 -0.00003 -0.00094 45 4YY 0.00006 -0.00020 -0.00034 0.00034 -0.00018 46 4ZZ 0.00005 -0.00028 -0.00018 -0.00065 -0.00072 47 4XY -0.00001 -0.00038 0.00091 0.00040 0.00005 48 4XZ 0.00001 -0.00014 0.00072 0.00010 -0.00031 49 4YZ 0.00000 -0.00035 0.00089 0.00003 0.00039 50 4 C 1S 0.00002 -0.00003 0.00011 -0.00002 -0.00007 51 2S -0.00002 -0.00003 0.00043 0.00002 -0.00040 52 2PX -0.00001 -0.00017 0.00008 -0.00011 0.00003 53 2PY -0.00003 -0.00016 0.00016 -0.00016 0.00018 54 2PZ 0.00002 0.00007 -0.00023 0.00007 0.00007 55 3S -0.00036 -0.00663 0.00069 -0.00710 0.00792 56 3PX -0.00008 -0.00129 -0.00039 -0.00155 0.00164 57 3PY -0.00016 -0.00413 0.00050 -0.00388 0.00418 58 3PZ 0.00009 0.00005 0.00044 0.00111 0.00031 59 4XX -0.00003 -0.00010 0.00015 -0.00005 -0.00007 60 4YY -0.00001 -0.00024 0.00027 -0.00012 0.00008 61 4ZZ -0.00002 -0.00010 0.00016 -0.00015 -0.00003 62 4XY -0.00002 0.00001 -0.00012 -0.00002 0.00006 63 4XZ 0.00000 -0.00003 0.00003 -0.00001 0.00003 64 4YZ 0.00001 0.00002 -0.00001 0.00005 0.00003 65 5 C 1S -0.00003 -0.00022 0.00011 -0.00031 0.00020 66 2S -0.00020 -0.00126 0.00072 -0.00169 0.00113 67 2PX -0.00001 -0.00013 -0.00012 -0.00016 -0.00020 68 2PY 0.00002 -0.00022 0.00005 -0.00004 0.00023 69 2PZ -0.00003 -0.00023 0.00035 -0.00020 0.00008 70 3S 0.00141 0.00730 -0.00223 0.01208 -0.00728 71 3PX 0.00008 0.00257 -0.00141 0.00354 -0.00125 72 3PY 0.00055 0.00342 -0.00261 0.00320 -0.00271 73 3PZ 0.00044 0.00458 -0.00394 0.00405 -0.00209 74 4XX -0.00004 0.00000 -0.00013 -0.00011 0.00000 75 4YY -0.00001 -0.00018 -0.00002 -0.00029 0.00011 76 4ZZ -0.00003 -0.00025 0.00022 -0.00021 0.00022 77 4XY -0.00001 0.00010 -0.00020 0.00005 -0.00008 78 4XZ -0.00001 0.00000 -0.00013 -0.00006 -0.00007 79 4YZ 0.00001 -0.00003 0.00004 0.00001 0.00002 80 6 C 1S 0.00019 -0.00007 0.00003 0.00003 0.00010 81 2S -0.00001 -0.00017 0.00002 0.00030 0.00045 82 2PX 0.00003 -0.00017 0.00018 -0.00002 0.00015 83 2PY -0.00006 0.00003 -0.00009 -0.00001 -0.00013 84 2PZ 0.00001 0.00011 -0.00012 -0.00006 -0.00001 85 3S -0.00079 -0.00299 0.00336 -0.00690 -0.00141 86 3PX -0.00068 -0.00336 0.00155 -0.00642 -0.00125 87 3PY 0.00053 0.00106 0.00032 0.00149 -0.00249 88 3PZ -0.00021 -0.00246 0.00290 -0.00330 -0.00258 89 4XX 0.00001 -0.00022 0.00008 -0.00015 0.00012 90 4YY 0.00003 -0.00020 0.00015 -0.00001 0.00021 91 4ZZ 0.00003 -0.00019 0.00018 -0.00009 0.00011 92 4XY 0.00003 0.00003 -0.00003 0.00003 -0.00010 93 4XZ 0.00005 -0.00008 0.00010 -0.00014 -0.00009 94 4YZ 0.00003 0.00006 -0.00003 -0.00004 -0.00006 95 7 C 1S -0.02041 -0.00017 -0.00005 -0.00016 -0.00008 96 2S -0.00147 -0.00101 -0.00011 -0.00101 -0.00005 97 2PX 0.00010 0.00001 -0.00024 -0.00003 -0.00043 98 2PY -0.00042 -0.00012 -0.00011 0.00017 0.00054 99 2PZ -0.00011 0.00010 -0.00003 0.00008 0.00006 100 3S 0.00492 0.00936 -0.00128 0.00952 -0.00222 101 3PX -0.00040 0.00388 0.00156 0.00505 -0.00300 102 3PY 0.00155 -0.00453 0.00399 -0.01017 -0.00337 103 3PZ 0.00033 -0.00059 0.00184 -0.00234 -0.00263 104 4XX -0.00001 0.00008 -0.00011 0.00015 -0.00047 105 4YY -0.00012 -0.00002 -0.00018 -0.00005 -0.00047 106 4ZZ 0.00002 -0.00020 -0.00014 -0.00009 -0.00004 107 4XY 0.00005 -0.00019 0.00001 -0.00019 0.00021 108 4XZ -0.00007 -0.00003 -0.00001 0.00002 0.00022 109 4YZ -0.00005 0.00010 -0.00003 0.00016 -0.00004 110 8 C 1S 0.00011 0.00034 -0.00007 0.00049 -0.00035 111 2S -0.00004 0.00210 -0.00029 0.00329 -0.00217 112 2PX 0.00001 -0.00022 0.00019 -0.00016 0.00037 113 2PY -0.00007 -0.00026 0.00037 -0.00043 -0.00009 114 2PZ -0.00005 -0.00029 0.00039 -0.00031 0.00045 115 3S -0.00049 -0.01188 0.00074 -0.01624 0.00946 116 3PX 0.00009 0.00524 -0.00215 0.00516 -0.00210 117 3PY 0.00039 0.00363 -0.00386 0.00550 -0.00046 118 3PZ 0.00037 0.00396 -0.00316 0.00613 -0.00543 119 4XX 0.00004 0.00010 -0.00025 -0.00007 -0.00025 120 4YY 0.00005 0.00025 -0.00002 0.00048 -0.00042 121 4ZZ 0.00001 0.00018 -0.00007 0.00003 0.00011 122 4XY -0.00006 0.00009 -0.00008 0.00019 -0.00009 123 4XZ 0.00005 0.00027 0.00012 0.00071 -0.00042 124 4YZ 0.00001 0.00014 0.00009 0.00004 -0.00011 125 9 C 1S -0.00002 -0.00018 -0.00004 -0.00014 0.00008 126 2S 0.00000 -0.00102 -0.00006 -0.00094 0.00046 127 2PX -0.00001 -0.00004 -0.00012 0.00002 -0.00014 128 2PY 0.00002 0.00018 -0.00023 0.00033 0.00008 129 2PZ 0.00000 0.00002 0.00018 -0.00019 -0.00019 130 3S 0.00031 0.01068 -0.00177 0.01140 -0.00637 131 3PX 0.00003 -0.00057 0.00030 0.00047 0.00254 132 3PY 0.00008 0.00235 -0.00018 0.00288 -0.00074 133 3PZ -0.00027 -0.00582 0.00073 -0.00593 0.00627 134 4XX 0.00001 -0.00026 -0.00017 -0.00008 0.00014 135 4YY 0.00002 -0.00007 -0.00009 -0.00002 -0.00001 136 4ZZ 0.00002 0.00002 -0.00019 0.00022 -0.00008 137 4XY 0.00001 0.00017 -0.00004 0.00022 -0.00004 138 4XZ 0.00000 -0.00009 0.00005 -0.00019 -0.00015 139 4YZ -0.00001 -0.00011 0.00009 -0.00019 0.00001 140 10 H 1S 0.00000 -0.00012 0.00000 -0.00009 0.00007 141 2S -0.00003 -0.00113 0.00008 -0.00101 0.00097 142 11 H 1S -0.00001 0.00036 -0.00046 0.00001 -0.00001 143 2S 0.00014 0.00177 -0.00167 0.00128 -0.00067 144 12 H 1S -0.00005 -0.00034 0.00040 -0.00032 -0.00002 145 2S -0.00024 -0.00074 0.00360 -0.00105 0.00130 146 13 H 1S 0.00001 0.00009 0.00003 0.00002 -0.00036 147 2S 0.00010 0.00146 -0.00019 0.00133 -0.00236 148 14 C 1S 0.00168 -0.00001 0.00000 -0.00002 0.00000 149 2S 0.00007 -0.00004 0.00000 -0.00011 0.00003 150 2PX -0.00002 -0.00002 -0.00002 -0.00005 -0.00004 151 2PY -0.00004 0.00003 -0.00003 0.00000 -0.00002 152 2PZ -0.00004 -0.00005 -0.00001 -0.00007 -0.00001 153 3S -0.00022 -0.00215 0.00103 -0.00300 -0.00086 154 3PX -0.00015 -0.00067 0.00057 -0.00080 -0.00052 155 3PY 0.00008 0.00010 -0.00023 0.00030 0.00113 156 3PZ -0.00002 -0.00003 -0.00026 -0.00033 0.00034 157 4XX -0.00004 0.00002 0.00001 0.00003 -0.00005 158 4YY -0.00004 -0.00003 0.00001 -0.00005 -0.00003 159 4ZZ -0.00005 0.00002 -0.00006 -0.00005 0.00000 160 4XY -0.00002 -0.00003 0.00000 -0.00003 0.00004 161 4XZ 0.00000 0.00007 -0.00006 0.00005 0.00000 162 4YZ -0.00001 -0.00002 0.00002 -0.00001 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00001 -0.00005 164 2S -0.00019 0.00009 0.00019 -0.00002 -0.00060 165 16 H 1S 0.00001 0.00004 -0.00002 0.00005 0.00009 166 2S 0.00002 0.00012 -0.00010 0.00011 0.00033 167 17 C 1S 0.99251 -0.00001 -0.00003 -0.00002 0.00003 168 2S 0.04937 0.00002 -0.00007 -0.00009 -0.00002 169 2PX 0.00000 -0.00008 -0.00014 0.00003 0.00024 170 2PY -0.00014 0.00005 0.00008 -0.00013 -0.00027 171 2PZ -0.00001 0.00005 0.00003 0.00002 -0.00012 172 3S -0.01308 0.00135 -0.00201 0.00577 0.00255 173 3PX -0.00018 -0.00074 -0.00045 -0.00063 0.00065 174 3PY 0.00099 -0.00034 0.00077 -0.00210 -0.00108 175 3PZ 0.00023 -0.00041 -0.00009 -0.00079 0.00042 176 4XX -0.00958 -0.00007 -0.00010 -0.00003 0.00010 177 4YY -0.00925 -0.00007 -0.00001 0.00002 0.00026 178 4ZZ -0.00963 -0.00006 -0.00009 -0.00003 0.00013 179 4XY -0.00013 0.00010 0.00006 0.00007 -0.00010 180 4XZ 0.00015 0.00002 0.00000 0.00004 0.00001 181 4YZ 0.00013 -0.00001 0.00004 -0.00001 -0.00001 182 18 H 1S -0.00033 0.00004 0.00002 0.00000 -0.00003 183 2S 0.00216 0.00023 0.00001 0.00032 -0.00026 184 19 H 1S -0.00034 -0.00004 0.00002 -0.00016 -0.00004 185 2S 0.00222 -0.00034 -0.00015 -0.00042 0.00032 16 17 18 19 20 O O O O O Eigenvalues -- -1.06297 -0.99943 -0.86781 -0.79700 -0.78737 1 1 S 1S 0.03882 0.01978 -0.00088 -0.00974 -0.01736 2 2S -0.17351 -0.08985 0.00420 0.04415 0.07781 3 2PX 0.02820 -0.02172 0.00290 -0.01111 -0.02727 4 2PY -0.02378 -0.08631 -0.01098 -0.01436 -0.03069 5 2PZ 0.03400 0.01504 -0.02675 0.01698 0.01336 6 3S 0.35481 0.18259 -0.00804 -0.09367 -0.16959 7 3PX -0.06196 0.04520 -0.00739 0.02597 0.06477 8 3PY 0.04908 0.18549 0.02433 0.03348 0.06995 9 3PZ -0.06877 -0.03293 0.05940 -0.03917 -0.03122 10 4S -0.02465 0.01486 -0.00821 -0.02397 -0.03662 11 4PX 0.03349 -0.00411 0.00309 0.00000 -0.00263 12 4PY -0.01371 -0.01993 -0.00178 -0.00166 0.00097 13 4PZ 0.00879 0.00707 -0.00294 -0.00109 -0.00263 14 5XX -0.01255 -0.03050 0.00416 -0.00180 -0.00889 15 5YY 0.01855 0.03302 -0.00459 0.00782 0.01683 16 5ZZ -0.01067 -0.01103 0.00256 -0.00384 -0.00555 17 5XY 0.01449 -0.01228 -0.00793 -0.00317 -0.00364 18 5XZ 0.00953 -0.01105 -0.01500 0.00669 0.00137 19 5YZ -0.00861 -0.03952 -0.00522 -0.00441 -0.01896 20 2 O 1S -0.10678 -0.15250 0.00417 -0.01961 -0.04637 21 2S 0.22982 0.33819 -0.00948 0.04262 0.10397 22 2PX -0.00768 -0.00329 -0.00267 0.00020 0.00892 23 2PY -0.08914 -0.10632 0.00591 -0.00158 -0.00574 24 2PZ 0.03845 0.05250 0.00501 -0.00147 0.00011 25 3S 0.22757 0.31286 -0.00845 0.05360 0.11879 26 3PX -0.00898 -0.00116 -0.00084 -0.00064 0.00352 27 3PY -0.03643 -0.03437 0.00259 -0.00085 -0.00198 28 3PZ 0.01546 0.01852 0.00180 -0.00008 0.00110 29 4XX -0.00622 -0.00603 0.00045 -0.00087 -0.00200 30 4YY 0.01075 0.01050 -0.00118 -0.00102 -0.00131 31 4ZZ -0.00258 -0.00139 0.00048 -0.00117 -0.00160 32 4XY 0.00243 0.00119 -0.00002 0.00000 -0.00045 33 4XZ -0.00063 -0.00031 -0.00021 0.00005 0.00050 34 4YZ -0.00817 -0.00868 -0.00002 0.00021 -0.00020 35 3 O 1S -0.14573 0.12924 0.06390 -0.00722 0.02174 36 2S 0.31069 -0.28520 -0.13930 0.01523 -0.04778 37 2PX -0.01098 0.04067 -0.02318 -0.03559 -0.08486 38 2PY 0.03662 -0.00448 -0.01303 -0.00411 -0.04842 39 2PZ 0.06346 -0.04848 -0.00273 -0.01720 -0.01060 40 3S 0.34827 -0.29803 -0.18010 0.02417 -0.06988 41 3PX -0.00537 0.02244 -0.00437 -0.01765 -0.03795 42 3PY 0.02995 -0.00384 -0.01005 -0.00164 -0.02526 43 3PZ 0.04519 -0.03114 -0.01124 -0.00553 -0.00820 44 4XX 0.00377 -0.00525 0.00083 0.00243 0.00493 45 4YY -0.00368 0.00438 0.00174 -0.00058 -0.00173 46 4ZZ -0.00080 0.00023 0.00278 -0.00268 -0.00025 47 4XY 0.00900 -0.00439 -0.00328 -0.00069 -0.00111 48 4XZ 0.00051 0.00360 -0.00251 -0.00218 -0.00635 49 4YZ 0.00821 -0.00320 -0.00252 -0.00051 -0.00467 50 4 C 1S -0.01432 0.01824 -0.07535 0.07389 -0.09458 51 2S 0.02685 -0.03335 0.14513 -0.14127 0.18574 52 2PX 0.00554 -0.00483 0.01617 -0.04084 -0.00035 53 2PY 0.01291 -0.01363 0.05381 -0.03507 0.02903 54 2PZ -0.01236 0.01552 0.01317 -0.05673 -0.02572 55 3S 0.02055 -0.01594 0.08149 -0.10606 0.10918 56 3PX 0.00457 -0.00306 -0.00155 -0.00239 -0.00644 57 3PY 0.00470 0.00009 -0.00318 -0.00637 -0.01435 58 3PZ -0.00175 0.00018 0.00511 -0.00347 -0.00399 59 4XX -0.00079 0.00156 -0.00564 0.00485 -0.00747 60 4YY 0.00089 -0.00051 0.00225 -0.00074 0.00056 61 4ZZ 0.00237 -0.00237 -0.00086 0.00287 0.00226 62 4XY 0.00100 -0.00100 0.00354 -0.00602 0.00252 63 4XZ -0.00002 0.00008 0.00399 -0.00358 0.00347 64 4YZ -0.00191 0.00201 0.00084 -0.00452 -0.00383 65 5 C 1S -0.04850 0.05697 -0.05194 -0.03021 -0.10112 66 2S 0.09458 -0.10873 0.09164 0.06149 0.19788 67 2PX 0.05540 -0.05725 -0.04122 -0.03674 -0.02164 68 2PY 0.01688 -0.01559 0.01910 0.05391 -0.02044 69 2PZ -0.01274 0.01568 0.05853 -0.04500 0.03261 70 3S 0.01660 -0.05678 0.11491 0.04312 0.18069 71 3PX -0.00484 0.00211 0.00026 -0.01894 -0.00893 72 3PY -0.00885 -0.00307 0.02161 0.00243 0.00614 73 3PZ -0.00416 -0.00768 0.02551 -0.01316 0.02066 74 4XX 0.00840 -0.00770 -0.00806 0.00137 -0.00574 75 4YY -0.00377 0.00404 0.00229 0.00450 -0.00272 76 4ZZ -0.00231 0.00229 0.00240 -0.00675 0.00289 77 4XY 0.00441 -0.00388 -0.00469 -0.00390 -0.00247 78 4XZ -0.00435 0.00472 0.00418 -0.00262 0.00210 79 4YZ -0.00013 0.00021 0.00136 0.00375 -0.00091 80 6 C 1S -0.01454 0.01593 -0.08760 -0.11529 -0.03635 81 2S 0.02454 -0.03233 0.17101 0.22713 0.07341 82 2PX 0.01347 -0.01398 0.01859 -0.04328 -0.01826 83 2PY -0.00971 0.01367 0.00267 0.02189 -0.07221 84 2PZ -0.00056 0.00283 0.02628 -0.02396 -0.04256 85 3S 0.02233 -0.00203 0.07569 0.13440 0.03475 86 3PX 0.02037 0.00582 0.00347 0.01311 0.00169 87 3PY -0.00813 0.00005 0.01092 -0.00431 -0.00624 88 3PZ 0.00244 0.00559 0.01384 0.00466 0.00229 89 4XX 0.00126 -0.00149 -0.00174 -0.00066 -0.00088 90 4YY 0.00089 -0.00174 -0.00092 -0.00341 0.00166 91 4ZZ -0.00108 0.00064 -0.00293 -0.00623 -0.00453 92 4XY -0.00230 0.00283 -0.00073 -0.00241 -0.00690 93 4XZ 0.00018 0.00009 0.00713 0.00604 -0.00093 94 4YZ 0.00118 -0.00083 0.00373 0.00451 -0.00268 95 7 C 1S -0.01182 0.00440 -0.10212 -0.05648 0.09349 96 2S 0.01665 -0.00871 0.19899 0.10920 -0.18429 97 2PX 0.00697 0.00324 0.01147 -0.05892 -0.03109 98 2PY -0.00807 0.00648 -0.02875 0.02547 -0.05388 99 2PZ -0.00350 0.00347 -0.00340 -0.04520 -0.03676 100 3S 0.01208 -0.00539 0.09446 0.07743 -0.11244 101 3PX -0.00368 -0.00011 -0.00369 -0.00555 -0.00547 102 3PY 0.01168 0.01607 -0.01190 -0.01282 0.01163 103 3PZ -0.00406 0.00570 -0.00652 -0.01373 0.00305 104 4XX 0.00020 0.00100 -0.00291 -0.00435 0.00250 105 4YY -0.00070 -0.00077 0.00164 0.00021 0.00044 106 4ZZ -0.00079 -0.00023 -0.00480 -0.00136 0.00707 107 4XY -0.00096 0.00028 -0.00286 0.00368 0.00593 108 4XZ -0.00047 -0.00084 0.00665 0.00306 -0.00277 109 4YZ 0.00090 -0.00122 0.00328 0.00708 -0.00038 110 8 C 1S -0.02145 0.00084 -0.09767 0.06525 0.07765 111 2S 0.02827 -0.00273 0.17757 -0.12178 -0.14508 112 2PX 0.00538 0.00922 -0.04608 -0.01427 0.00895 113 2PY -0.00393 0.00960 -0.01860 0.06447 -0.04813 114 2PZ -0.01841 -0.00111 -0.01299 -0.01856 0.02038 115 3S 0.06923 0.00609 0.17093 -0.12592 -0.15493 116 3PX 0.00273 0.00119 -0.01528 0.00106 0.00008 117 3PY -0.00757 -0.00271 -0.00884 0.02784 -0.01286 118 3PZ -0.02689 -0.00387 -0.02193 0.01028 0.01194 119 4XX -0.00091 0.00092 -0.00061 0.00464 -0.00106 120 4YY -0.00159 -0.00063 0.00198 -0.00451 0.00382 121 4ZZ 0.00188 0.00049 -0.00375 0.00220 -0.00056 122 4XY 0.00012 0.00014 0.00057 -0.00535 0.00456 123 4XZ -0.00203 -0.00184 0.00456 0.00218 -0.00202 124 4YZ 0.00085 -0.00123 -0.00129 -0.00066 -0.00042 125 9 C 1S -0.01052 0.00927 -0.08806 0.10923 -0.03030 126 2S 0.01820 -0.01506 0.16962 -0.21043 0.05725 127 2PX 0.00015 0.00307 -0.01599 0.00714 -0.03705 128 2PY 0.00311 0.00085 0.02171 -0.00086 -0.06711 129 2PZ -0.01085 0.01067 -0.05224 0.04457 -0.03613 130 3S 0.00001 -0.01667 0.10004 -0.14276 0.06064 131 3PX -0.00022 -0.00362 0.00212 -0.00200 -0.01057 132 3PY -0.00099 -0.00297 0.00023 0.00337 -0.00481 133 3PZ 0.00532 0.00528 0.00433 -0.00190 -0.01789 134 4XX -0.00114 0.00093 -0.00654 0.00849 -0.00199 135 4YY -0.00016 0.00071 0.00158 0.00055 -0.00569 136 4ZZ 0.00098 -0.00136 0.00089 -0.00107 0.00306 137 4XY 0.00044 -0.00056 0.00327 -0.00457 0.00075 138 4XZ -0.00010 -0.00008 0.00428 -0.00407 0.00510 139 4YZ -0.00029 0.00017 -0.00190 0.00101 0.00485 140 10 H 1S 0.00316 -0.00470 0.02718 -0.03395 0.04989 141 2S 0.00056 0.00017 -0.00134 -0.00600 0.00522 142 11 H 1S 0.01583 -0.02157 0.01909 0.02419 0.06321 143 2S -0.00004 -0.00452 0.00641 0.00154 0.01656 144 12 H 1S 0.00544 0.00183 0.04276 -0.03556 -0.05137 145 2S 0.00454 0.00413 0.01158 -0.01191 -0.00897 146 13 H 1S 0.00202 -0.00177 0.03289 -0.05421 0.01292 147 2S -0.00195 -0.00056 -0.00144 -0.00765 0.00664 148 14 C 1S -0.00266 0.00408 -0.03995 -0.09625 -0.03244 149 2S 0.00511 -0.00754 0.07556 0.18349 0.06172 150 2PX 0.00357 -0.00432 0.03422 0.06277 0.02090 151 2PY -0.00130 0.00222 -0.00698 -0.01326 -0.01993 152 2PZ 0.00134 -0.00163 0.02066 0.03373 0.00453 153 3S 0.01282 -0.00182 0.05825 0.15331 0.05521 154 3PX 0.00279 0.00041 0.00748 0.01296 0.00512 155 3PY 0.00034 -0.00105 -0.00779 0.00010 -0.00797 156 3PZ 0.00346 0.00067 -0.00004 0.00891 -0.00157 157 4XX 0.00013 -0.00009 0.00188 0.00227 0.00076 158 4YY -0.00020 0.00033 -0.00127 -0.00227 -0.00022 159 4ZZ -0.00004 0.00042 -0.00155 -0.00435 -0.00189 160 4XY -0.00020 0.00034 -0.00200 -0.00391 -0.00268 161 4XZ 0.00031 -0.00022 0.00399 0.00745 0.00204 162 4YZ -0.00002 -0.00002 0.00081 0.00338 0.00045 163 15 H 1S 0.00038 -0.00096 0.01726 0.04704 0.01096 164 2S -0.00072 0.00083 0.00521 0.00788 0.00104 165 16 H 1S 0.00101 -0.00178 0.01541 0.04681 0.02073 166 2S 0.00035 0.00019 -0.00125 0.01017 0.00329 167 17 C 1S -0.00233 0.00010 -0.04666 -0.04743 0.08234 168 2S 0.00393 -0.00100 0.08857 0.09056 -0.15843 169 2PX 0.00087 0.00012 0.01019 -0.00286 -0.02057 170 2PY -0.00243 0.00105 -0.04552 -0.03428 0.05782 171 2PZ -0.00075 0.00047 -0.00891 -0.01610 0.00625 172 3S -0.00625 -0.00915 0.06816 0.07649 -0.13120 173 3PX 0.00187 0.00054 0.00521 -0.00256 -0.00220 174 3PY 0.00343 0.00437 -0.00874 -0.00852 0.01149 175 3PZ 0.00301 -0.00055 0.00186 -0.00386 -0.00122 176 4XX -0.00025 -0.00010 -0.00230 -0.00218 0.00284 177 4YY 0.00023 -0.00028 0.00409 0.00251 -0.00449 178 4ZZ -0.00038 -0.00023 -0.00305 -0.00246 0.00464 179 4XY -0.00025 0.00000 -0.00231 -0.00085 0.00382 180 4XZ -0.00007 -0.00012 0.00203 0.00258 -0.00439 181 4YZ 0.00014 0.00003 0.00214 0.00276 -0.00276 182 18 H 1S 0.00054 0.00006 0.01907 0.01922 -0.04398 183 2S -0.00127 0.00000 0.00022 0.00350 -0.00905 184 19 H 1S 0.00095 -0.00005 0.01911 0.02732 -0.03768 185 2S 0.00111 -0.00021 0.00392 0.00665 -0.00563 21 22 23 24 25 O O O O O Eigenvalues -- -0.72057 -0.67799 -0.63950 -0.61836 -0.56344 1 1 S 1S 0.02621 -0.00386 0.04410 0.01552 -0.01393 2 2S -0.11769 0.01703 -0.19658 -0.06999 0.06191 3 2PX 0.02153 0.00572 0.01344 -0.00773 0.01506 4 2PY 0.03151 -0.02566 0.03916 -0.00836 -0.00903 5 2PZ -0.01880 -0.03734 -0.01005 -0.05163 0.00178 6 3S 0.26167 -0.04042 0.45682 0.15899 -0.14860 7 3PX -0.05364 -0.01414 -0.03753 0.01757 -0.03644 8 3PY -0.07402 0.06247 -0.09374 0.02155 0.02234 9 3PZ 0.04399 0.08945 0.02272 0.12677 -0.00374 10 4S 0.07542 -0.00881 0.14892 0.06767 -0.05618 11 4PX -0.00051 -0.00412 0.00141 -0.00031 -0.00800 12 4PY -0.00223 0.00776 -0.01378 -0.00220 0.00750 13 4PZ 0.00729 0.00230 0.01485 0.01744 -0.00762 14 5XX 0.00482 0.00636 0.00453 -0.00507 0.00394 15 5YY -0.01782 -0.00458 -0.01847 -0.00725 0.00573 16 5ZZ 0.00567 0.00058 -0.00350 0.00527 -0.00158 17 5XY 0.00503 -0.01171 0.00451 -0.00674 -0.00408 18 5XZ -0.00357 -0.01747 0.00171 -0.01838 -0.00171 19 5YZ 0.01397 -0.00553 0.01515 0.00126 0.00627 20 2 O 1S 0.04732 -0.00167 0.07239 0.02522 -0.01893 21 2S -0.10481 0.00577 -0.16112 -0.05519 0.04192 22 2PX -0.00410 -0.00485 -0.00655 0.00499 -0.01289 23 2PY -0.01461 0.00930 -0.06137 -0.01407 0.03702 24 2PZ 0.00653 0.01497 0.02487 0.03537 -0.00738 25 3S -0.13622 -0.00192 -0.22541 -0.08381 0.06374 26 3PX -0.00107 -0.00102 -0.00261 0.00410 -0.00669 27 3PY -0.00590 0.00673 -0.02543 -0.00300 0.01763 28 3PZ 0.00071 0.00633 0.00838 0.01636 -0.00108 29 4XX 0.00175 0.00098 0.00238 0.00070 -0.00024 30 4YY 0.00361 -0.00115 0.00765 0.00105 -0.00340 31 4ZZ 0.00202 0.00191 0.00276 0.00333 -0.00027 32 4XY 0.00035 0.00013 0.00028 -0.00090 0.00096 33 4XZ -0.00013 -0.00033 -0.00046 -0.00018 -0.00076 34 4YZ -0.00105 -0.00090 -0.00281 -0.00264 0.00107 35 3 O 1S 0.01339 0.02852 0.05763 0.02467 -0.02302 36 2S -0.02965 -0.06267 -0.12999 -0.05631 0.05196 37 2PX 0.09795 -0.11409 0.13592 -0.05774 0.01616 38 2PY 0.06104 -0.03069 0.08156 -0.05743 -0.04475 39 2PZ 0.01861 0.00122 0.06984 0.00682 -0.00188 40 3S -0.03725 -0.09977 -0.18953 -0.08108 0.08223 41 3PX 0.04768 -0.05736 0.06883 -0.03325 0.00891 42 3PY 0.02720 -0.01559 0.03898 -0.03402 -0.02503 43 3PZ 0.00855 -0.00311 0.03081 0.00557 0.00018 44 4XX -0.00326 0.00496 -0.00189 0.00410 -0.00382 45 4YY 0.00300 -0.00091 0.00462 -0.00174 -0.00114 46 4ZZ 0.00268 0.00031 0.00745 0.00136 0.00012 47 4XY 0.00063 -0.00346 0.00146 0.00185 0.00197 48 4XZ 0.00617 -0.00684 0.00526 -0.00238 0.00019 49 4YZ 0.00426 -0.00133 0.00493 -0.00314 -0.00256 50 4 C 1S 0.04322 0.07126 -0.06521 -0.00522 -0.07637 51 2S -0.08640 -0.13937 0.13312 0.01164 0.15535 52 2PX 0.00956 -0.04168 -0.03926 -0.03117 -0.03566 53 2PY 0.00431 0.01545 -0.01960 -0.04207 -0.09492 54 2PZ 0.03701 -0.11500 -0.06021 -0.09869 -0.04133 55 3S -0.05867 -0.13344 0.08991 0.01000 0.16171 56 3PX 0.00693 -0.00676 -0.01978 -0.00530 -0.01611 57 3PY 0.00953 0.00467 -0.02653 -0.01416 -0.03528 58 3PZ 0.00662 -0.01564 -0.01299 -0.02823 -0.02072 59 4XX 0.00417 0.00356 -0.00478 -0.00046 -0.00623 60 4YY -0.00039 0.00061 0.00206 -0.00150 0.00478 61 4ZZ -0.00189 0.00422 -0.00407 0.00426 -0.00668 62 4XY -0.00045 -0.00584 0.00027 0.00008 0.00461 63 4XZ -0.00001 -0.00257 0.00060 -0.00063 -0.00371 64 4YZ 0.00359 -0.00589 -0.00572 -0.00468 -0.00333 65 5 C 1S 0.05284 -0.08131 -0.02427 -0.06411 0.03765 66 2S -0.11070 0.16602 0.04176 0.13759 -0.07661 67 2PX -0.04657 -0.02106 -0.08652 -0.02405 0.09020 68 2PY 0.04853 0.04038 -0.01985 -0.11922 -0.11949 69 2PZ -0.00092 -0.03130 0.12247 -0.05650 0.06908 70 3S -0.10182 0.16544 0.09171 0.13297 -0.10529 71 3PX -0.00702 -0.00229 -0.01246 -0.02946 0.03549 72 3PY 0.01117 0.01204 0.01225 -0.03531 -0.03958 73 3PZ -0.00644 0.00803 0.05256 -0.02193 0.02029 74 4XX 0.00109 -0.00389 -0.01210 -0.00099 0.00198 75 4YY 0.00478 0.00050 0.00489 -0.00532 -0.00301 76 4ZZ -0.00309 -0.00520 0.00238 0.00115 0.00624 77 4XY -0.00389 0.00185 -0.00302 0.00288 0.00315 78 4XZ 0.00260 -0.00089 0.00852 0.00488 -0.00193 79 4YZ 0.00104 0.00718 -0.00126 -0.00024 -0.00777 80 6 C 1S -0.05739 -0.01331 -0.02017 0.06439 0.05215 81 2S 0.11641 0.02924 0.04305 -0.13066 -0.11075 82 2PX -0.09876 0.12414 0.05533 -0.10005 -0.03809 83 2PY 0.01628 -0.07900 -0.02679 -0.08130 0.09521 84 2PZ -0.05619 0.03408 0.04278 -0.11690 0.04589 85 3S 0.07762 0.01273 0.01825 -0.12596 -0.09144 86 3PX 0.01190 0.02003 -0.00341 -0.03230 -0.02185 87 3PY -0.01666 -0.01653 0.00777 -0.00506 0.01184 88 3PZ 0.00264 0.00222 0.01046 -0.02883 -0.00418 89 4XX 0.00287 -0.00162 -0.00392 0.00376 0.00558 90 4YY -0.00927 0.00373 0.00350 0.00536 -0.00216 91 4ZZ -0.00388 -0.00086 -0.00218 0.00072 0.00536 92 4XY -0.00129 -0.00223 0.00074 -0.00391 0.00386 93 4XZ 0.00499 -0.00144 0.00016 -0.00417 0.00419 94 4YZ -0.00347 0.00273 0.00036 -0.00388 -0.00240 95 7 C 1S 0.05937 -0.01126 -0.00949 0.06531 -0.05677 96 2S -0.12004 0.02220 0.02015 -0.13228 0.11968 97 2PX 0.02080 0.07902 -0.03225 0.06277 0.08762 98 2PY -0.11538 -0.12693 0.00442 0.13213 -0.03026 99 2PZ -0.03219 -0.00362 -0.05046 0.09812 0.05326 100 3S -0.08334 0.02302 0.01854 -0.12471 0.09695 101 3PX -0.01704 0.01868 0.00046 0.00627 0.01150 102 3PY 0.01646 -0.03342 -0.00655 0.04184 -0.02746 103 3PZ -0.00464 -0.00417 -0.01073 0.02586 -0.00263 104 4XX 0.00832 0.00316 -0.00189 0.00572 0.00233 105 4YY -0.00455 -0.00348 0.00143 0.00294 -0.00807 106 4ZZ 0.00651 0.00068 -0.00174 0.00109 -0.00417 107 4XY 0.00202 -0.00164 0.00187 -0.00353 -0.00224 108 4XZ 0.00292 0.00280 -0.00305 -0.00322 0.00345 109 4YZ -0.00215 -0.00010 0.00482 -0.00478 -0.00326 110 8 C 1S -0.04824 -0.07428 0.06039 -0.04886 -0.03351 111 2S 0.09258 0.14569 -0.12441 0.09837 0.06704 112 2PX 0.04848 -0.00763 0.04013 0.11878 -0.06505 113 2PY -0.04295 0.04971 0.02835 0.04491 0.14346 114 2PZ -0.00631 -0.02615 -0.11819 0.04328 -0.04991 115 3S 0.12552 0.15769 -0.11614 0.11758 0.08943 116 3PX 0.01163 0.00267 0.01110 0.05037 -0.02436 117 3PY -0.02214 0.00394 0.00191 0.02820 0.06203 118 3PZ -0.01232 -0.01614 -0.04047 0.01529 -0.01731 119 4XX -0.00211 0.00033 0.00487 -0.00282 0.00353 120 4YY -0.00241 -0.00829 -0.00590 -0.00114 -0.00565 121 4ZZ 0.00228 0.00159 0.00453 0.00187 -0.00082 122 4XY 0.00355 0.00021 -0.00422 0.00116 -0.00401 123 4XZ -0.00358 0.00433 -0.00580 -0.00464 0.00651 124 4YZ 0.00186 0.00277 0.00246 0.00552 0.00288 125 9 C 1S -0.01963 0.07581 0.06931 0.03459 0.07312 126 2S 0.03889 -0.14915 -0.14067 -0.07103 -0.15014 127 2PX 0.03124 0.03660 -0.04367 0.04458 -0.06358 128 2PY 0.04632 0.11192 -0.07584 0.04057 -0.02760 129 2PZ 0.01231 0.00820 -0.07317 0.01243 -0.09849 130 3S 0.01489 -0.13768 -0.11523 -0.04992 -0.14280 131 3PX 0.00604 0.00164 -0.01621 0.00788 -0.02261 132 3PY 0.00368 0.02006 -0.02096 0.01173 -0.00900 133 3PZ 0.01225 -0.00032 -0.03157 -0.00874 -0.03779 134 4XX -0.00120 0.00483 0.00670 0.00252 0.00499 135 4YY 0.00164 0.00647 -0.00309 0.00380 0.00685 136 4ZZ -0.00144 -0.00270 0.00158 -0.00107 -0.00381 137 4XY 0.00107 -0.00224 -0.00008 0.00277 0.00082 138 4XZ -0.00200 -0.00472 -0.00107 -0.00349 -0.00132 139 4YZ -0.00411 -0.00414 0.00615 0.00071 0.00709 140 10 H 1S -0.03101 -0.05947 0.06151 0.02039 0.11585 141 2S -0.00669 -0.02015 0.01778 0.01058 0.05835 142 11 H 1S -0.03822 0.06212 0.00361 0.10497 -0.04079 143 2S -0.00818 0.02233 0.00424 0.04284 -0.01285 144 12 H 1S 0.03087 0.05649 -0.06804 0.09050 0.03463 145 2S 0.00552 0.02126 -0.02813 0.03570 0.01049 146 13 H 1S 0.01490 -0.06411 -0.07743 -0.02471 -0.11392 147 2S 0.00143 -0.02191 -0.02984 -0.00530 -0.05804 148 14 C 1S -0.10917 0.08235 0.04597 -0.05880 -0.05387 149 2S 0.21158 -0.16129 -0.09120 0.11706 0.11011 150 2PX 0.03771 0.00349 0.01522 -0.04621 -0.09650 151 2PY -0.01375 -0.01865 -0.00566 -0.02383 0.05471 152 2PZ 0.01787 -0.00956 0.01154 -0.04573 -0.02699 153 3S 0.20236 -0.14125 -0.09100 0.10484 0.10540 154 3PX 0.00611 0.00603 0.00661 -0.01574 -0.04375 155 3PY -0.00145 -0.00805 -0.00588 -0.01373 0.02532 156 3PZ 0.00408 -0.00173 0.00228 -0.01763 -0.00972 157 4XX 0.00011 0.00218 0.00176 -0.00397 -0.00492 158 4YY -0.00097 -0.00060 -0.00080 0.00371 0.00390 159 4ZZ -0.00470 0.00319 0.00195 -0.00309 -0.00070 160 4XY -0.00388 0.00168 0.00084 -0.00265 0.00022 161 4XZ 0.00636 -0.00371 -0.00098 -0.00028 0.00013 162 4YZ 0.00481 -0.00513 -0.00360 0.00476 0.00622 163 15 H 1S 0.06309 -0.06887 -0.03965 0.04804 0.08875 164 2S 0.00984 -0.02480 -0.01183 0.02514 0.03567 165 16 H 1S 0.06785 -0.05329 -0.04027 0.07613 0.05894 166 2S 0.01589 -0.01692 -0.01595 0.03295 0.02771 167 17 C 1S 0.11323 0.08414 -0.01286 -0.06632 0.05873 168 2S -0.21915 -0.16524 0.02757 0.13307 -0.12042 169 2PX -0.01272 0.01778 -0.00907 0.01740 0.05319 170 2PY 0.04428 0.00064 -0.00081 0.05680 -0.10743 171 2PZ 0.00468 0.01026 -0.01312 0.03560 0.00052 172 3S -0.21128 -0.13601 0.02626 0.11535 -0.10997 173 3PX -0.00005 0.00945 -0.00743 0.00700 0.02530 174 3PY 0.00927 -0.00709 0.00320 0.02153 -0.04642 175 3PZ 0.00187 0.00251 -0.00261 0.01501 -0.00028 176 4XX 0.00353 0.00160 -0.00003 0.00173 -0.00194 177 4YY -0.00273 0.00051 0.00037 -0.00402 0.00487 178 4ZZ 0.00550 0.00299 0.00014 -0.00113 -0.00098 179 4XY 0.00307 0.00071 0.00017 -0.00176 -0.00134 180 4XZ -0.00696 -0.00654 0.00064 0.00688 -0.00749 181 4YZ -0.00354 -0.00232 0.00124 -0.00020 -0.00096 182 18 H 1S -0.06991 -0.05454 0.00411 0.08151 -0.06570 183 2S -0.01666 -0.01749 -0.00110 0.03500 -0.03111 184 19 H 1S -0.06514 -0.06950 0.01422 0.05506 -0.09377 185 2S -0.00990 -0.02460 0.00102 0.02597 -0.03942 26 27 28 29 30 O O O O O Eigenvalues -- -0.52662 -0.50800 -0.48794 -0.48372 -0.45502 1 1 S 1S -0.00624 0.01412 -0.01454 -0.00489 0.00452 2 2S 0.02788 -0.06384 0.06331 0.02095 -0.02050 3 2PX 0.02447 -0.02461 0.01415 0.05646 -0.05133 4 2PY 0.00386 -0.04525 0.01975 -0.04758 0.00220 5 2PZ -0.02209 -0.09753 -0.02254 -0.05440 -0.02630 6 3S -0.06653 0.15011 -0.16354 -0.05597 0.04881 7 3PX -0.06100 0.06148 -0.03452 -0.14459 0.13335 8 3PY -0.01147 0.11741 -0.05263 0.12399 -0.00632 9 3PZ 0.05635 0.24774 0.05934 0.13943 0.06836 10 4S -0.04127 0.07968 -0.05856 -0.01284 0.02247 11 4PX -0.00973 0.00417 -0.00336 -0.04662 0.04139 12 4PY 0.00068 0.00721 0.00445 0.03984 -0.01829 13 4PZ 0.00980 0.05843 0.00617 0.03036 0.02165 14 5XX 0.01228 -0.00186 -0.00202 0.01847 -0.01270 15 5YY 0.00053 0.00126 0.00063 -0.00678 0.01005 16 5ZZ -0.00938 -0.01103 0.01119 -0.00766 -0.00360 17 5XY 0.00593 -0.01184 0.00655 -0.01897 0.00714 18 5XZ -0.00885 -0.02947 -0.00263 -0.00718 -0.01104 19 5YZ -0.00963 -0.01296 0.00973 0.00329 -0.00093 20 2 O 1S -0.01948 0.02511 -0.03757 0.00518 0.00121 21 2S 0.04189 -0.05404 0.08080 -0.00911 -0.00626 22 2PX -0.00828 0.01658 0.00219 -0.07055 0.06543 23 2PY 0.04203 -0.02715 0.10984 0.02730 0.00309 24 2PZ -0.00745 0.10374 -0.03512 0.06418 0.03393 25 3S 0.07583 -0.09381 0.14408 -0.03147 0.00899 26 3PX -0.00307 0.01189 0.00124 -0.04108 0.03951 27 3PY 0.01761 -0.00783 0.05233 0.02072 0.00010 28 3PZ -0.00143 0.05490 -0.01502 0.03509 0.02316 29 4XX -0.00070 0.00096 -0.00158 0.00238 -0.00238 30 4YY -0.00403 -0.00116 -0.00840 -0.00343 -0.00277 31 4ZZ -0.00104 0.00657 -0.00149 0.00524 0.00073 32 4XY 0.00088 -0.00197 0.00017 0.00514 -0.00525 33 4XZ -0.00054 0.00011 0.00013 -0.00302 0.00200 34 4YZ 0.00036 -0.00739 0.00306 -0.00386 -0.00215 35 3 O 1S 0.01602 0.01235 -0.02210 -0.00110 -0.01089 36 2S -0.03503 -0.02288 0.04769 0.00548 0.02368 37 2PX -0.06780 -0.23714 0.04930 -0.17469 -0.01050 38 2PY -0.01241 -0.14816 -0.02825 0.07261 -0.12620 39 2PZ 0.10702 0.03174 0.01381 0.01018 -0.00427 40 3S -0.06691 -0.06800 0.09785 -0.00329 0.04705 41 3PX -0.03438 -0.12750 0.03029 -0.10177 0.00222 42 3PY -0.00812 -0.08400 -0.01864 0.04759 -0.08322 43 3PZ 0.06154 0.01729 0.01371 0.00540 0.00422 44 4XX -0.00461 0.00262 -0.00519 -0.00156 -0.00032 45 4YY -0.00291 -0.00458 -0.00300 0.00129 -0.00603 46 4ZZ 0.00906 0.00366 0.00137 -0.00053 0.00162 47 4XY -0.00352 -0.00321 0.00033 -0.00942 0.00220 48 4XZ -0.00618 -0.00812 0.00073 -0.00677 0.00040 49 4YZ 0.00081 -0.00491 -0.00187 0.00562 -0.00665 50 4 C 1S 0.01412 0.00840 -0.03399 -0.02206 -0.01013 51 2S -0.02716 -0.01378 0.06800 0.04856 0.01998 52 2PX 0.08124 0.06323 -0.04145 0.04060 0.11550 53 2PY 0.21567 -0.03748 -0.07974 -0.07620 0.17128 54 2PZ -0.05650 0.01590 -0.06824 0.18488 0.05530 55 3S -0.05629 -0.03428 0.10704 0.04751 0.03405 56 3PX 0.02376 0.02053 -0.00507 0.01080 0.04878 57 3PY 0.05951 -0.02909 -0.01471 -0.03825 0.06279 58 3PZ -0.01685 0.00618 -0.02668 0.06970 0.00668 59 4XX 0.00039 0.00212 -0.00196 0.00010 0.00063 60 4YY -0.00254 -0.00338 0.00537 0.00384 -0.00686 61 4ZZ -0.00193 0.00341 -0.00711 -0.00558 -0.00025 62 4XY -0.00008 0.00268 0.00343 0.00331 0.00158 63 4XZ -0.00189 -0.00191 -0.00347 -0.00054 0.00028 64 4YZ 0.00032 0.00093 -0.00456 0.00150 0.00507 65 5 C 1S -0.00452 -0.00276 0.03163 0.02950 0.01520 66 2S 0.00157 0.00410 -0.06431 -0.06848 -0.03079 67 2PX 0.12422 0.18024 0.04169 0.06970 0.05155 68 2PY 0.05508 -0.05713 -0.00235 0.21726 -0.02519 69 2PZ 0.13528 -0.10044 0.10847 -0.05667 -0.00017 70 3S 0.03967 0.02193 -0.12250 -0.06409 -0.05709 71 3PX 0.06055 0.07394 0.00978 0.03103 0.00459 72 3PY 0.05399 -0.01466 -0.02504 0.09049 -0.01345 73 3PZ 0.07460 -0.02171 0.01412 -0.00950 -0.02980 74 4XX 0.00260 0.00996 0.00360 0.00874 0.00927 75 4YY -0.00775 -0.00479 0.00186 0.00343 -0.00862 76 4ZZ 0.00073 -0.00119 -0.00065 -0.00689 0.00401 77 4XY 0.00090 0.00554 -0.00521 -0.00013 -0.00728 78 4XZ 0.00019 -0.00660 -0.00338 -0.00814 0.00168 79 4YZ -0.00156 -0.00033 -0.00781 -0.00559 -0.00226 80 6 C 1S 0.03489 0.00570 -0.05981 -0.02339 -0.02108 81 2S -0.07107 -0.00845 0.12478 0.05128 0.04538 82 2PX 0.04430 0.01266 -0.10391 0.04247 -0.20267 83 2PY -0.01678 0.17611 0.07593 -0.06214 0.00717 84 2PZ 0.03015 0.05043 -0.00249 -0.10269 -0.11530 85 3S -0.07597 -0.01201 0.14907 0.03986 0.02472 86 3PX -0.00925 -0.02631 0.05093 0.03418 -0.03235 87 3PY 0.01012 0.05912 -0.00089 -0.02113 -0.00399 88 3PZ 0.00878 -0.00603 0.04705 -0.03117 -0.00658 89 4XX 0.00514 0.00187 -0.00212 0.00446 -0.00117 90 4YY -0.00080 0.00083 -0.00537 -0.00752 -0.00377 91 4ZZ 0.00125 0.00103 -0.00598 -0.00313 -0.00058 92 4XY -0.00345 0.00082 -0.00284 -0.00060 0.00087 93 4XZ 0.00151 -0.00145 0.00042 -0.00058 0.00158 94 4YZ -0.00549 0.00362 -0.00420 -0.00106 -0.00169 95 7 C 1S 0.03296 -0.02144 0.05962 0.02699 -0.00887 96 2S -0.06826 0.04610 -0.12527 -0.06011 0.02411 97 2PX 0.01371 -0.10592 -0.07270 0.12635 -0.00628 98 2PY -0.04862 0.03668 -0.06523 -0.02300 0.16591 99 2PZ -0.00984 -0.12354 -0.07217 -0.01921 0.09923 100 3S -0.07703 0.05856 -0.13797 -0.06080 -0.03231 101 3PX -0.00271 -0.02584 -0.04299 0.03291 -0.02913 102 3PY 0.00990 0.00179 0.06891 0.01847 0.07261 103 3PZ -0.00272 -0.03911 0.00655 -0.02035 0.03765 104 4XX -0.00050 0.00085 0.00783 0.00410 -0.00148 105 4YY 0.00621 -0.00371 0.00032 -0.00168 -0.00013 106 4ZZ -0.00097 -0.00090 0.00694 0.00212 -0.00088 107 4XY -0.00348 0.00024 0.00304 0.00142 0.00312 108 4XZ -0.00445 -0.00046 0.00516 -0.00271 0.00091 109 4YZ -0.00116 0.00151 -0.00066 0.00467 -0.00031 110 8 C 1S 0.00123 0.02281 -0.04497 0.00350 0.00966 111 2S -0.00974 -0.05084 0.09262 -0.01251 -0.02377 112 2PX -0.04330 0.12020 0.13816 0.06314 0.01266 113 2PY -0.13099 -0.03710 -0.00437 0.13477 0.00680 114 2PZ -0.09315 -0.06639 0.11653 -0.12008 0.00942 115 3S 0.02111 -0.04869 0.14237 0.02418 -0.00778 116 3PX -0.04229 0.05613 0.05500 0.00803 0.00068 117 3PY -0.06987 -0.02036 -0.01146 0.04993 0.03094 118 3PZ -0.07263 -0.03317 0.03472 -0.07043 -0.00731 119 4XX -0.00284 0.00216 -0.00322 0.00021 0.00168 120 4YY 0.00193 -0.00111 -0.00291 -0.00418 0.00769 121 4ZZ -0.00379 0.00392 0.00244 0.00605 -0.00699 122 4XY 0.00211 -0.00122 0.00861 -0.00081 -0.00147 123 4XZ -0.00270 -0.00630 0.00328 -0.00052 -0.00285 124 4YZ 0.00175 -0.00177 0.00948 0.00179 0.00407 125 9 C 1S 0.00602 -0.01161 0.03995 0.00996 -0.01042 126 2S -0.01401 0.02385 -0.08526 -0.01714 0.01919 127 2PX -0.02572 0.05198 0.03274 -0.05798 -0.06187 128 2PY 0.08446 -0.06680 0.07749 -0.18422 -0.03947 129 2PZ -0.20270 0.02973 -0.05755 -0.02289 -0.19362 130 3S -0.02944 0.03509 -0.10467 -0.04336 0.02707 131 3PX -0.00501 0.02011 0.00934 -0.01110 -0.01156 132 3PY 0.02556 -0.02457 0.02664 -0.06365 -0.00037 133 3PZ -0.06582 0.00810 -0.02371 0.01309 -0.07210 134 4XX -0.00134 -0.00086 0.00336 0.00236 -0.00097 135 4YY -0.00421 -0.00394 0.00666 -0.00071 -0.00378 136 4ZZ -0.00021 0.00372 -0.00550 0.00073 -0.00218 137 4XY -0.00049 0.00104 0.00529 0.00196 0.00173 138 4XZ -0.00210 -0.00224 -0.00317 0.00043 -0.00050 139 4YZ 0.00018 -0.00025 0.00413 0.00438 0.00680 140 10 H 1S -0.13511 0.00086 0.08115 0.07125 -0.10378 141 2S -0.08998 -0.00452 0.05796 0.04132 -0.08228 142 11 H 1S -0.08843 0.01191 -0.08804 -0.09511 -0.02249 143 2S -0.03884 0.00904 -0.07019 -0.05589 -0.02645 144 12 H 1S -0.08298 -0.02900 0.12964 0.01247 0.00043 145 2S -0.03027 -0.01907 0.08867 0.01907 -0.00075 146 13 H 1S -0.11912 0.04450 -0.08295 0.00291 -0.09761 147 2S -0.07770 0.02767 -0.05027 -0.00543 -0.07704 148 14 C 1S -0.03155 0.00094 0.01924 -0.00142 0.00005 149 2S 0.06537 -0.00120 -0.04133 0.00276 0.00025 150 2PX -0.11419 -0.00759 0.17496 0.05233 0.21584 151 2PY 0.04547 0.12675 0.04415 -0.07896 -0.12386 152 2PZ -0.04696 0.05312 0.15386 -0.04642 0.07665 153 3S 0.06345 -0.02852 0.00754 0.01967 0.01688 154 3PX -0.04180 -0.00966 0.07967 0.02110 0.08122 155 3PY 0.01221 0.05626 0.01943 -0.03407 -0.05184 156 3PZ -0.02205 0.01737 0.06807 -0.02204 0.02364 157 4XX -0.00380 0.00089 0.00530 0.00285 0.00351 158 4YY 0.00527 -0.00006 -0.00739 -0.00271 -0.00968 159 4ZZ -0.00061 -0.00127 -0.00134 -0.00093 -0.00013 160 4XY -0.00104 0.00007 -0.00184 0.00148 0.00190 161 4XZ -0.00163 -0.00140 0.00245 0.00048 0.00446 162 4YZ 0.00492 0.00077 -0.00810 -0.00005 -0.00589 163 15 H 1S 0.07850 0.06240 -0.03493 -0.05601 -0.12578 164 2S 0.05005 0.03903 -0.02336 -0.04055 -0.09996 165 16 H 1S 0.05284 -0.05894 -0.13383 0.03122 -0.03765 166 2S 0.02440 -0.03413 -0.09141 0.01314 -0.03593 167 17 C 1S -0.03000 0.01501 -0.01113 -0.00988 0.00146 168 2S 0.06128 -0.03046 0.02268 0.02149 -0.00257 169 2PX -0.04004 -0.07545 -0.09098 0.07679 0.12340 170 2PY 0.11537 -0.07281 0.15731 0.10956 -0.17311 171 2PZ 0.01061 -0.10768 -0.01259 0.06515 0.05225 172 3S 0.06022 -0.03656 -0.02787 0.01240 -0.02373 173 3PX -0.01183 -0.03350 -0.03819 0.03656 0.05310 174 3PY 0.04236 -0.02639 0.07138 0.04629 -0.05183 175 3PZ 0.00649 -0.04457 -0.00922 0.03117 0.02472 176 4XX 0.00313 -0.00111 0.00479 0.00324 -0.00632 177 4YY -0.00419 0.00191 -0.00599 -0.00397 0.00404 178 4ZZ 0.00126 -0.00121 0.00275 0.00319 -0.00279 179 4XY 0.00006 -0.00141 0.00099 0.00039 0.00234 180 4XZ 0.00539 -0.00360 0.00606 0.00281 -0.00488 181 4YZ -0.00057 0.00051 -0.00120 0.00278 0.00256 182 18 H 1S 0.05023 -0.09336 0.03054 0.08963 0.00255 183 2S 0.02426 -0.05524 0.02990 0.05689 -0.00359 184 19 H 1S 0.07276 0.02241 0.09528 -0.00798 -0.12412 185 2S 0.04562 0.01554 0.06454 -0.00419 -0.09484 31 32 33 34 35 O O O O O Eigenvalues -- -0.44094 -0.42962 -0.42016 -0.41298 -0.39875 1 1 S 1S 0.01114 0.00339 0.00120 0.00571 0.00089 2 2S -0.04718 -0.01403 -0.00593 -0.02785 -0.00797 3 2PX -0.10286 -0.04322 0.03646 -0.09533 -0.03983 4 2PY -0.07896 -0.00307 0.03094 0.05707 0.07288 5 2PZ 0.04113 0.02085 -0.01809 -0.06759 -0.05773 6 3S 0.13443 0.04171 0.01013 0.05373 -0.00669 7 3PX 0.26794 0.11364 -0.09675 0.24905 0.10378 8 3PY 0.20940 0.00864 -0.08218 -0.15187 -0.19497 9 3PZ -0.11029 -0.05496 0.04818 0.17890 0.15322 10 4S 0.02020 -0.00338 0.01724 0.07058 0.08355 11 4PX 0.07836 0.04283 -0.03103 0.09432 0.04721 12 4PY 0.01622 0.00131 -0.02207 -0.03858 -0.01445 13 4PZ -0.02333 0.00919 0.01170 0.04522 0.02350 14 5XX -0.02575 -0.00699 0.01306 -0.00412 -0.00199 15 5YY 0.01270 0.01025 -0.00007 0.00725 -0.01052 16 5ZZ -0.00219 -0.00782 -0.01104 -0.00890 0.01420 17 5XY -0.00402 0.01365 -0.00172 0.02314 0.00327 18 5XZ -0.00422 0.00966 -0.00532 -0.02351 -0.00606 19 5YZ -0.01904 -0.00080 0.00398 0.01122 0.03944 20 2 O 1S 0.05970 0.01070 -0.01580 -0.02741 -0.03614 21 2S -0.12505 -0.02373 0.03081 0.05401 0.07396 22 2PX 0.10845 0.06264 -0.04440 0.17886 0.07470 23 2PY -0.25422 -0.05313 0.08054 0.15210 0.24489 24 2PZ 0.09604 0.01870 -0.01950 0.00464 -0.04327 25 3S -0.24872 -0.03824 0.07556 0.12809 0.14845 26 3PX 0.06341 0.03789 -0.02565 0.11416 0.04525 27 3PY -0.12824 -0.02957 0.04174 0.08150 0.13858 28 3PZ 0.04607 0.00963 -0.00491 0.01398 -0.01577 29 4XX 0.00045 -0.00078 -0.00072 -0.00324 -0.00119 30 4YY 0.01750 0.00361 -0.00647 -0.01312 -0.01677 31 4ZZ 0.00421 0.00005 -0.00163 0.00052 0.00103 32 4XY -0.00830 -0.00454 0.00295 -0.01369 -0.00607 33 4XZ 0.00414 0.00219 -0.00211 0.00576 0.00241 34 4YZ -0.00723 -0.00112 0.00142 0.00038 0.00463 35 3 O 1S -0.02406 0.00975 0.01511 -0.01437 -0.01244 36 2S 0.05710 -0.02677 -0.03156 0.03013 0.02885 37 2PX -0.07457 -0.04453 0.03478 0.02036 0.14105 38 2PY -0.08195 0.00700 -0.05056 -0.21174 -0.04560 39 2PZ -0.18584 0.14805 0.08772 0.03781 -0.11279 40 3S 0.08516 -0.01420 -0.06938 0.06647 0.03754 41 3PX -0.03243 -0.02454 0.01773 0.02078 0.09872 42 3PY -0.04441 0.01082 -0.03685 -0.14131 -0.03882 43 3PZ -0.12155 0.10101 0.05742 0.03109 -0.08091 44 4XX 0.00673 -0.00326 -0.00089 -0.00010 0.00524 45 4YY 0.00027 -0.00529 -0.00016 -0.01177 -0.00214 46 4ZZ -0.01197 0.00691 0.00766 0.00332 -0.00546 47 4XY 0.00139 -0.00318 0.00290 -0.00007 0.00173 48 4XZ -0.00066 -0.00800 0.00197 0.00165 0.00966 49 4YZ -0.00662 0.00095 -0.00018 -0.00778 -0.00295 50 4 C 1S -0.01050 -0.00101 0.02207 0.00782 -0.00050 51 2S 0.02075 0.00314 -0.04285 -0.02399 -0.00026 52 2PX -0.01576 -0.01946 -0.00142 -0.03954 0.06163 53 2PY 0.01666 0.07228 -0.04649 -0.13695 0.13554 54 2PZ 0.07961 -0.12710 -0.06595 -0.03545 0.16575 55 3S 0.04376 0.02661 -0.08521 -0.00996 -0.03261 56 3PX -0.01347 0.00663 0.00058 -0.00301 0.00999 57 3PY 0.02172 0.03398 -0.03651 -0.04081 0.03514 58 3PZ 0.02231 -0.01589 -0.02306 -0.01535 0.06735 59 4XX -0.00276 -0.00175 0.00226 0.00031 0.00071 60 4YY 0.00382 -0.00452 -0.00340 0.00463 -0.00898 61 4ZZ -0.00271 0.00501 0.00582 -0.00344 0.00228 62 4XY -0.00023 -0.00603 -0.00007 0.00116 -0.00493 63 4XZ -0.00061 -0.00167 -0.00017 -0.00368 0.00647 64 4YZ 0.00392 -0.01005 -0.00004 -0.00333 0.00599 65 5 C 1S 0.01637 -0.02762 -0.00680 0.02389 -0.01259 66 2S -0.03064 0.06599 0.01295 -0.04930 0.02170 67 2PX 0.02342 0.10890 0.00842 0.06034 -0.16107 68 2PY 0.01710 0.12532 -0.14079 0.02435 0.02993 69 2PZ -0.05089 0.24315 -0.04681 0.02691 -0.07872 70 3S -0.08798 0.09921 -0.00043 -0.09464 0.08096 71 3PX 0.02220 0.03127 0.01274 0.03686 -0.04616 72 3PY -0.01576 0.04131 -0.07752 -0.00538 0.02337 73 3PZ -0.05177 0.10226 -0.00890 0.01102 -0.02427 74 4XX 0.00003 0.00183 0.00140 0.00630 -0.00856 75 4YY -0.00203 -0.00163 -0.00094 0.00120 0.00100 76 4ZZ 0.00559 -0.00598 -0.00091 -0.00527 0.00561 77 4XY -0.00107 -0.00499 0.00315 -0.00634 -0.00246 78 4XZ -0.00930 -0.00669 0.00600 -0.00574 0.00368 79 4YZ 0.00167 -0.00858 0.00373 0.00059 0.01194 80 6 C 1S -0.01205 -0.01157 -0.00803 -0.01526 -0.00224 81 2S 0.02224 0.02328 0.01822 0.03629 0.00518 82 2PX 0.00415 0.07083 -0.10272 0.07039 0.11552 83 2PY 0.02506 -0.06278 0.09088 -0.00333 -0.04928 84 2PZ 0.05843 0.05367 0.00114 0.08010 0.06632 85 3S 0.06213 0.08149 0.01344 0.06988 0.02454 86 3PX 0.05738 0.00542 0.02307 0.01400 -0.00659 87 3PY -0.03057 0.01127 -0.00592 -0.02901 -0.00442 88 3PZ 0.05378 0.02757 0.02704 0.01990 0.00879 89 4XX 0.00005 0.00183 0.00351 0.00064 -0.00362 90 4YY -0.00477 0.00365 -0.00454 -0.00514 0.00716 91 4ZZ 0.00158 -0.00466 -0.00143 0.00584 -0.00189 92 4XY -0.00270 -0.00823 -0.00227 0.00726 -0.00252 93 4XZ 0.00104 -0.00209 0.00159 0.00737 -0.00311 94 4YZ -0.00163 -0.00428 -0.00334 0.00367 0.00184 95 7 C 1S 0.01395 0.00516 0.00110 -0.01927 0.00040 96 2S -0.02607 -0.00685 -0.00288 0.04557 0.00335 97 2PX 0.02830 -0.04597 0.10229 -0.02448 0.01380 98 2PY -0.18946 0.07092 -0.10656 -0.13355 -0.03884 99 2PZ 0.03398 0.02216 0.02722 -0.02931 -0.04393 100 3S -0.03411 -0.06211 0.00658 0.08948 -0.00326 101 3PX -0.01942 0.01648 0.00133 -0.01475 0.01513 102 3PY -0.00789 -0.00037 0.04638 -0.02818 -0.04578 103 3PZ 0.03537 0.02784 0.00936 0.00573 -0.01232 104 4XX 0.00178 -0.00391 0.00250 -0.00362 0.00174 105 4YY -0.00017 0.00048 -0.00207 0.00344 -0.00085 106 4ZZ 0.00371 0.00332 0.00094 -0.00019 0.00050 107 4XY 0.00199 0.00867 0.00459 0.00145 0.00367 108 4XZ 0.00574 0.00046 0.00111 0.00154 0.00171 109 4YZ -0.00130 0.00771 0.00353 0.00326 0.00306 110 8 C 1S -0.01243 0.03030 0.01230 0.00613 0.00874 111 2S 0.02594 -0.06603 -0.02553 -0.01308 -0.01793 112 2PX -0.11986 0.09401 -0.10677 -0.04734 0.09875 113 2PY 0.03688 0.14273 -0.04159 -0.05868 0.16497 114 2PZ 0.04691 0.16221 -0.15025 -0.03922 -0.01901 115 3S 0.06013 -0.12732 -0.00904 -0.01800 -0.05346 116 3PX -0.06025 0.03600 -0.07274 -0.01292 0.07110 117 3PY 0.01464 0.05871 -0.00825 -0.04188 0.08726 118 3PZ 0.01398 0.07229 -0.08550 -0.01896 -0.00095 119 4XX 0.00560 -0.00048 0.00081 0.00568 0.00654 120 4YY -0.00356 -0.00037 -0.00179 -0.00436 -0.00250 121 4ZZ -0.00584 0.00380 0.00062 -0.00269 0.00137 122 4XY 0.00576 0.00197 -0.00881 -0.00454 0.00233 123 4XZ 0.00484 0.00611 -0.00405 -0.00048 0.00324 124 4YZ -0.00016 0.00623 -0.00849 -0.00277 0.00825 125 9 C 1S 0.00329 0.00947 -0.01065 0.01075 -0.00401 126 2S -0.00378 -0.02303 0.01528 -0.03123 0.00338 127 2PX -0.10150 0.03139 0.05526 0.06069 -0.10553 128 2PY 0.02428 -0.07364 0.00118 0.04133 -0.20168 129 2PZ -0.06991 0.17073 0.10191 0.08692 -0.07328 130 3S -0.03037 -0.03896 0.06642 -0.01855 0.03048 131 3PX -0.05154 0.02177 0.01956 0.01800 -0.04048 132 3PY 0.00846 -0.00118 0.00085 0.01178 -0.06446 133 3PZ -0.00851 0.06247 0.01858 0.01306 -0.04179 134 4XX 0.00073 0.00078 -0.00323 -0.00060 0.00243 135 4YY 0.00482 -0.00600 -0.00305 0.00193 -0.00591 136 4ZZ -0.00736 0.01063 0.00548 -0.00079 -0.00024 137 4XY -0.00146 -0.00248 -0.00459 -0.00165 0.00151 138 4XZ 0.00328 0.00533 -0.00119 -0.00241 0.00343 139 4YZ 0.00300 0.00157 -0.00773 -0.00430 0.00640 140 10 H 1S 0.01264 -0.05170 -0.00413 0.07974 -0.09005 141 2S 0.01233 -0.04424 -0.00344 0.07661 -0.08802 142 11 H 1S -0.01071 -0.15360 0.07241 -0.06002 0.08691 143 2S -0.01317 -0.13906 0.05201 -0.03112 0.07273 144 12 H 1S 0.01548 0.12080 -0.12511 -0.05857 0.07975 145 2S 0.01678 0.11402 -0.08458 -0.03625 0.06503 146 13 H 1S -0.06455 0.11166 0.08218 0.03749 -0.01495 147 2S -0.05465 0.10270 0.07173 0.04203 -0.01001 148 14 C 1S -0.00141 -0.00496 -0.00940 0.00133 0.01215 149 2S 0.00158 0.01325 0.01932 -0.00165 -0.02489 150 2PX -0.01502 -0.08197 0.07737 -0.04141 -0.12183 151 2PY 0.07969 0.08197 0.14214 -0.19071 0.14169 152 2PZ 0.05653 0.01648 0.15341 -0.13379 0.01601 153 3S 0.05061 -0.00449 0.07160 -0.00893 -0.06490 154 3PX 0.00909 -0.05237 0.03757 -0.02326 -0.05550 155 3PY 0.03436 0.02996 0.05574 -0.06650 0.05473 156 3PZ 0.03097 -0.00382 0.06614 -0.05081 -0.00142 157 4XX 0.00022 -0.00111 0.00240 -0.00310 -0.00053 158 4YY 0.00063 0.00400 -0.00193 -0.00184 0.00714 159 4ZZ -0.00064 -0.00076 -0.00380 0.00640 -0.00193 160 4XY -0.00304 -0.00443 -0.00629 0.01023 -0.00659 161 4XZ -0.00073 -0.00237 -0.00131 0.00473 -0.00493 162 4YZ -0.00129 -0.00041 -0.00508 0.00523 0.00000 163 15 H 1S 0.05141 0.07424 0.06803 -0.10779 0.11171 164 2S 0.03500 0.05111 0.03903 -0.09547 0.10284 165 16 H 1S -0.04872 -0.01899 -0.12967 0.14528 -0.04571 166 2S -0.03667 -0.02795 -0.10862 0.12266 -0.03345 167 17 C 1S 0.00367 0.00300 0.00591 -0.00179 0.00796 168 2S -0.00455 -0.00785 -0.01129 0.00474 -0.02024 169 2PX -0.00753 0.11572 0.19097 0.00264 -0.00114 170 2PY 0.17585 -0.07124 0.11220 0.08043 0.03937 171 2PZ 0.09984 0.08688 0.19826 0.05434 -0.00502 172 3S -0.04532 0.01443 -0.07206 -0.00687 0.00772 173 3PX -0.01146 0.04060 0.07479 -0.00224 0.00952 174 3PY 0.07207 -0.04759 0.06436 0.04783 -0.00501 175 3PZ 0.04267 0.02878 0.08383 0.02284 -0.01352 176 4XX 0.00468 -0.00404 -0.00007 0.00048 0.00163 177 4YY -0.00246 0.00178 -0.00235 -0.00078 -0.00159 178 4ZZ 0.00452 0.00043 0.00523 0.00200 0.00065 179 4XY 0.00337 0.00586 0.00901 0.00323 -0.00029 180 4XZ 0.00631 -0.00112 0.00274 0.00240 0.00055 181 4YZ -0.00105 0.00450 0.00720 0.00119 0.00088 182 18 H 1S 0.09212 0.05230 0.17530 0.05260 0.00491 183 2S 0.07549 0.05087 0.13866 0.04008 0.01576 184 19 H 1S 0.03055 -0.10180 -0.11128 0.00321 0.01005 185 2S 0.02987 -0.07670 -0.07934 -0.01030 0.01891 36 37 38 39 40 O O O O O Eigenvalues -- -0.37990 -0.36170 -0.35405 -0.32507 -0.29649 1 1 S 1S -0.00600 0.00617 0.00003 -0.00456 -0.00584 2 2S 0.02826 -0.02647 -0.00005 0.01760 0.03034 3 2PX 0.04717 -0.03832 0.00202 -0.05532 0.00869 4 2PY -0.06006 0.05908 -0.03224 -0.00542 -0.01800 5 2PZ -0.00593 0.03657 -0.08353 0.01848 0.03021 6 3S -0.06078 0.07174 -0.00079 -0.05996 -0.05004 7 3PX -0.12414 0.10106 -0.00627 0.15010 -0.02113 8 3PY 0.16165 -0.15937 0.08541 0.01626 0.04655 9 3PZ 0.01574 -0.09825 0.22510 -0.04918 -0.08360 10 4S -0.07089 0.02172 0.00360 0.00306 -0.13750 11 4PX -0.04793 0.05905 0.00652 0.05808 0.00329 12 4PY 0.01867 -0.03291 0.04560 -0.01030 -0.00140 13 4PZ 0.01131 -0.02232 0.07662 -0.06613 0.06098 14 5XX -0.01297 0.02031 0.00253 -0.00690 -0.01356 15 5YY 0.03294 -0.00981 0.01704 -0.00906 0.08032 16 5ZZ -0.01584 -0.01408 -0.01752 0.01591 -0.06518 17 5XY -0.02123 0.02450 0.00035 -0.00437 0.03208 18 5XZ 0.00154 -0.00471 -0.00321 -0.01818 0.02432 19 5YZ 0.01844 -0.00552 0.02966 -0.00390 0.03404 20 2 O 1S 0.01477 -0.00964 -0.00305 0.00616 0.00343 21 2S -0.03155 0.01812 0.00716 -0.01457 -0.01390 22 2PX -0.12355 0.13789 0.01592 0.10016 0.00579 23 2PY -0.04888 0.01265 0.12799 -0.04195 0.02691 24 2PZ 0.14640 -0.13022 0.22294 -0.06023 0.36455 25 3S -0.05747 0.04969 0.00726 -0.03167 0.02685 26 3PX -0.08057 0.09294 0.01109 0.06216 0.00503 27 3PY -0.02024 -0.00144 0.08480 -0.02035 0.02346 28 3PZ 0.09883 -0.08266 0.15342 -0.03976 0.27184 29 4XX -0.00019 -0.00107 -0.00042 0.00062 -0.00424 30 4YY -0.00094 0.00234 -0.01320 0.00253 -0.01173 31 4ZZ 0.00668 -0.00791 0.01356 -0.00304 0.01125 32 4XY 0.00822 -0.00932 -0.00107 -0.00768 -0.00041 33 4XZ -0.00518 0.00425 0.00015 0.00269 -0.00099 34 4YZ -0.00855 0.00716 -0.01236 0.00381 -0.01810 35 3 O 1S -0.02308 0.03345 -0.03677 -0.01262 0.00175 36 2S 0.04926 -0.07399 0.07690 0.02723 -0.01168 37 2PX 0.14268 -0.08477 0.01120 0.09565 0.18209 38 2PY -0.16005 0.00769 0.00302 -0.07885 -0.09560 39 2PZ -0.02008 0.26635 -0.12539 -0.20829 0.29440 40 3S 0.10507 -0.13024 0.18902 0.03235 0.03615 41 3PX 0.09518 -0.05675 0.00973 0.06843 0.14737 42 3PY -0.11166 0.00528 -0.00004 -0.05855 -0.06780 43 3PZ -0.01131 0.19128 -0.07714 -0.15228 0.22991 44 4XX -0.00556 0.00157 -0.00322 0.00196 -0.00440 45 4YY -0.00248 -0.00414 -0.00529 -0.00003 -0.00923 46 4ZZ 0.00055 0.01412 -0.00778 -0.00878 0.01051 47 4XY 0.00706 -0.00126 -0.00378 -0.00055 0.00204 48 4XZ 0.00362 -0.00480 0.00061 0.00110 0.00722 49 4YZ -0.00684 0.00406 0.00076 -0.00905 0.00369 50 4 C 1S 0.00032 0.00869 0.00531 -0.00998 0.00760 51 2S 0.00063 -0.01644 -0.01802 0.02529 -0.02039 52 2PX 0.01972 0.02355 -0.17045 0.02583 -0.01404 53 2PY 0.15683 -0.02090 -0.02170 0.00231 -0.03077 54 2PZ -0.09727 0.05451 -0.01976 -0.14462 0.09200 55 3S 0.01306 -0.03533 0.01529 0.04876 -0.02239 56 3PX 0.01419 0.02430 -0.08739 0.02644 0.00995 57 3PY 0.05537 -0.01533 0.02353 0.00046 -0.02033 58 3PZ -0.02149 0.03123 0.00099 -0.07215 0.05605 59 4XX -0.00102 -0.00072 -0.00281 0.00073 -0.00099 60 4YY -0.01431 -0.00233 0.00863 0.00015 0.00331 61 4ZZ 0.01141 0.00413 -0.00322 -0.00026 -0.00268 62 4XY -0.00721 0.00009 -0.00348 0.00096 0.00256 63 4XZ 0.00224 -0.00315 -0.00088 0.00199 -0.00293 64 4YZ -0.00124 0.00046 -0.00369 -0.00595 0.00506 65 5 C 1S 0.00608 -0.01633 0.00153 -0.00516 -0.00170 66 2S -0.00909 0.03434 0.00162 0.01202 -0.00026 67 2PX 0.00682 0.08359 -0.08911 -0.02277 -0.05552 68 2PY -0.17417 0.03871 0.13201 0.03356 0.03340 69 2PZ 0.13973 -0.05966 0.10664 0.13666 -0.08686 70 3S -0.05636 0.05380 -0.00391 0.03175 0.02297 71 3PX 0.00899 0.01995 -0.06096 0.00653 -0.01168 72 3PY -0.11397 0.01581 0.04622 0.01595 0.01540 73 3PZ 0.05055 -0.00934 0.02012 0.03083 -0.01417 74 4XX 0.00041 0.01063 0.00091 -0.01132 0.00257 75 4YY -0.00689 -0.00370 -0.00240 0.00575 0.00533 76 4ZZ 0.00644 -0.00814 -0.00039 0.00122 -0.00794 77 4XY -0.00579 0.00197 -0.00471 -0.00931 -0.00103 78 4XZ 0.00256 0.00410 -0.01239 0.00212 0.01108 79 4YZ 0.00096 -0.00112 -0.00402 -0.01032 0.00640 80 6 C 1S -0.00071 0.01569 0.01004 -0.00291 -0.00784 81 2S 0.00009 -0.02815 -0.02591 0.00852 0.02641 82 2PX -0.09883 -0.10942 -0.09812 0.09506 0.13116 83 2PY 0.03970 -0.05350 -0.21574 0.00859 0.04357 84 2PZ 0.06473 -0.12887 -0.03001 -0.22709 -0.11098 85 3S -0.01820 -0.10926 -0.04541 0.00419 -0.01149 86 3PX 0.00737 0.01061 -0.04308 0.07303 0.03388 87 3PY -0.05545 -0.03121 -0.09214 0.02080 0.01519 88 3PZ 0.04214 -0.01943 0.01017 -0.11105 -0.09201 89 4XX 0.00066 0.00620 0.00134 0.00169 -0.00478 90 4YY -0.00335 -0.00467 0.00391 0.00531 0.00487 91 4ZZ 0.00138 0.00087 -0.00512 -0.00650 0.00149 92 4XY 0.00690 -0.00575 -0.00949 -0.00249 -0.00113 93 4XZ 0.00727 0.00020 -0.00550 0.00457 0.00093 94 4YZ -0.00328 -0.00332 -0.00599 -0.00905 0.00031 95 7 C 1S -0.00431 -0.00026 0.01098 0.00334 0.00491 96 2S 0.00622 0.00509 -0.02718 0.00209 -0.01214 97 2PX 0.07017 0.16571 0.03715 0.24728 0.01279 98 2PY -0.11785 -0.05257 0.10433 0.10744 0.02928 99 2PZ -0.02738 0.16548 0.17679 -0.11994 -0.07204 100 3S 0.04434 -0.03113 -0.07599 -0.04778 -0.03373 101 3PX -0.01923 0.00756 0.00101 0.12750 -0.01571 102 3PY 0.00489 0.04619 -0.01189 0.05688 -0.00412 103 3PZ -0.03464 0.05185 0.06151 -0.08302 -0.08827 104 4XX 0.00889 0.00659 0.00082 -0.00216 -0.00848 105 4YY -0.00590 -0.00474 0.00578 0.00266 0.00111 106 4ZZ -0.00286 -0.00164 -0.00813 0.00193 0.00777 107 4XY 0.00034 -0.01161 -0.00644 -0.00507 0.00206 108 4XZ 0.00269 0.00342 -0.00635 0.00144 0.00153 109 4YZ -0.00410 -0.00989 -0.00531 -0.00553 -0.00168 110 8 C 1S 0.00642 -0.01829 0.00129 -0.01738 0.00937 111 2S -0.01376 0.03205 -0.00064 0.03550 -0.01407 112 2PX -0.01288 -0.18713 -0.07676 -0.03514 -0.07883 113 2PY 0.19147 0.17490 -0.07956 -0.00798 -0.04100 114 2PZ -0.07680 -0.04101 -0.09493 -0.09540 0.15799 115 3S -0.01403 0.14081 0.00047 0.08609 -0.08271 116 3PX -0.01297 -0.14373 -0.02532 0.00372 -0.09637 117 3PY 0.14135 0.05561 0.00829 0.00536 0.05251 118 3PZ -0.05826 -0.03970 -0.04328 -0.06060 0.06657 119 4XX 0.00374 0.00245 0.00421 -0.00795 -0.00598 120 4YY -0.00779 -0.00549 -0.00099 0.00497 0.00426 121 4ZZ 0.00633 -0.00191 -0.00350 -0.00032 -0.00096 122 4XY 0.00133 -0.00649 -0.00305 -0.00564 0.00678 123 4XZ 0.00394 0.00472 -0.01159 0.00403 0.00524 124 4YZ -0.00262 0.00106 -0.00875 -0.00864 -0.00203 125 9 C 1S -0.00060 0.00894 0.00050 -0.00159 -0.01301 126 2S -0.00479 -0.02264 -0.00347 0.00815 0.02820 127 2PX -0.03926 -0.07602 -0.03990 0.11267 -0.07409 128 2PY -0.14409 -0.08674 0.10761 0.02419 0.09311 129 2PZ 0.11902 0.06310 0.09391 0.02009 -0.04044 130 3S 0.02537 -0.05557 0.01714 0.00359 0.07289 131 3PX -0.01623 -0.03693 -0.03038 0.07422 -0.02984 132 3PY -0.01537 -0.04621 0.06169 0.00498 0.08355 133 3PZ 0.04401 0.03428 0.03921 0.00666 -0.00958 134 4XX -0.00086 -0.00204 0.00259 -0.00327 -0.00085 135 4YY -0.00859 0.00044 0.00001 -0.00095 0.00624 136 4ZZ 0.01250 0.00199 -0.00082 0.00723 -0.00788 137 4XY -0.00623 -0.00555 -0.00057 -0.00188 0.00325 138 4XZ 0.00690 0.00149 0.00156 -0.00045 -0.00066 139 4YZ -0.00230 0.00017 -0.00899 -0.00384 0.00360 140 10 H 1S -0.12654 0.00136 0.04668 -0.00642 0.02908 141 2S -0.12337 0.00130 0.05634 -0.00877 0.03588 142 11 H 1S -0.00396 0.00273 -0.09054 -0.07782 0.05878 143 2S -0.00399 -0.01285 -0.10342 -0.08465 0.06647 144 12 H 1S 0.02366 -0.00133 -0.11677 -0.05075 0.03283 145 2S 0.01862 -0.00282 -0.12793 -0.06080 0.05003 146 13 H 1S 0.11035 0.03769 0.03203 0.03908 -0.05946 147 2S 0.11112 0.03666 0.03453 0.04028 -0.07213 148 14 C 1S -0.00478 -0.01022 -0.00388 -0.00689 0.00738 149 2S 0.00916 0.02055 0.00778 0.01591 -0.01452 150 2PX 0.04584 0.10261 -0.01837 0.10226 0.03708 151 2PY -0.13387 0.02189 0.04522 0.10303 0.09361 152 2PZ 0.00140 0.07129 0.11951 -0.07852 -0.10523 153 3S 0.05609 0.07629 0.01663 0.03590 -0.04183 154 3PX 0.03296 0.07131 -0.01330 0.06090 0.02945 155 3PY -0.04201 -0.00538 0.00758 0.05906 0.06071 156 3PZ 0.02344 0.03560 0.05953 -0.06734 -0.07568 157 4XX -0.00254 0.00146 -0.00211 0.00735 0.00576 158 4YY -0.00399 -0.00189 0.00350 0.00014 0.00137 159 4ZZ 0.00462 -0.00415 -0.00265 -0.00901 -0.00482 160 4XY 0.00686 -0.00460 -0.01102 -0.00224 -0.00003 161 4XZ 0.00581 -0.00189 -0.00277 -0.00583 -0.00422 162 4YZ 0.00033 -0.00365 -0.00642 0.00014 0.00244 163 15 H 1S -0.08756 0.00649 0.06376 0.02834 0.02472 164 2S -0.08460 0.02183 0.07001 0.02532 0.02740 165 16 H 1S 0.05308 -0.06540 -0.07925 -0.03993 -0.00994 166 2S 0.05618 -0.06882 -0.08775 -0.05677 -0.00416 167 17 C 1S 0.01100 0.00722 -0.01318 -0.00318 0.00179 168 2S -0.02260 -0.01313 0.02529 0.01063 -0.00550 169 2PX -0.09609 -0.16690 -0.05431 0.09780 0.04682 170 2PY 0.12091 0.03679 -0.11299 0.02941 0.01358 171 2PZ -0.06283 -0.09523 -0.03264 -0.15515 -0.04332 172 3S -0.06338 -0.06675 0.08072 0.00670 0.01243 173 3PX -0.03140 -0.05575 -0.01595 0.06794 0.04980 174 3PY 0.06992 0.02834 -0.06190 0.01852 -0.00264 175 3PZ -0.01847 -0.01149 -0.00916 -0.09404 -0.02470 176 4XX 0.00642 0.00643 -0.00075 0.00320 -0.00044 177 4YY -0.00215 -0.00047 0.00177 -0.00449 -0.00160 178 4ZZ 0.00057 -0.00353 -0.00583 0.00170 0.00165 179 4XY -0.00609 -0.01321 -0.00507 -0.01017 -0.00069 180 4XZ 0.00179 0.00129 -0.00218 -0.00275 -0.00072 181 4YZ -0.00475 -0.01347 -0.00697 0.00352 0.00245 182 18 H 1S -0.03259 -0.11133 -0.07389 -0.02775 0.00435 183 2S -0.03127 -0.11735 -0.08478 -0.03541 0.00630 184 19 H 1S 0.09542 0.13511 0.02305 0.02107 -0.00824 185 2S 0.08546 0.14722 0.02557 0.03250 0.00319 41 42 43 44 45 O O O O V Eigenvalues -- -0.29244 -0.27495 -0.24871 -0.22646 -0.04540 1 1 S 1S 0.00496 -0.01491 -0.01061 0.00827 0.00152 2 2S -0.02296 0.06959 0.05395 -0.04277 -0.00763 3 2PX -0.02257 0.02379 0.04361 -0.08652 -0.00351 4 2PY 0.01407 -0.04455 -0.03314 0.04473 0.01582 5 2PZ -0.02224 0.02567 0.01430 0.03474 0.05928 6 3S 0.05125 -0.15956 -0.10132 0.07866 0.01501 7 3PX 0.05929 -0.06458 -0.12155 0.24293 0.00837 8 3PY -0.04134 0.11926 0.08787 -0.12330 -0.04334 9 3PZ 0.05891 -0.06988 -0.03648 -0.10390 -0.16974 10 4S 0.08134 -0.20072 -0.23649 0.19331 0.03186 11 4PX 0.05529 0.02131 0.00961 0.07322 0.03095 12 4PY 0.11782 0.08741 0.06012 -0.05945 -0.01812 13 4PZ 0.02825 -0.00512 -0.05731 0.01427 -0.21853 14 5XX 0.03368 0.00716 0.01053 0.00075 0.01715 15 5YY -0.02959 0.01720 -0.00462 0.00946 -0.00995 16 5ZZ -0.00436 -0.01232 0.00894 -0.02654 -0.00716 17 5XY 0.02209 0.05981 0.04892 -0.03606 -0.02408 18 5XZ 0.02175 -0.00152 -0.03585 0.04279 -0.02578 19 5YZ 0.03654 0.02063 -0.01409 0.01269 0.02717 20 2 O 1S 0.00050 0.00188 0.00253 0.00422 0.00773 21 2S 0.00452 -0.00020 -0.00376 -0.01793 -0.01396 22 2PX 0.17623 0.31019 0.28749 -0.22377 0.02514 23 2PY 0.18079 -0.00306 -0.13348 0.11875 0.08495 24 2PZ 0.09685 0.19718 -0.09341 0.12339 0.06564 25 3S -0.05433 -0.01945 -0.00985 -0.00636 -0.07415 26 3PX 0.11800 0.23266 0.21820 -0.18778 0.01811 27 3PY 0.12679 0.00049 -0.09424 0.09366 0.08319 28 3PZ 0.06167 0.14066 -0.06655 0.09815 0.07283 29 4XX 0.00444 -0.00194 -0.00104 0.00065 0.00474 30 4YY -0.00768 -0.00154 0.00967 -0.01100 -0.00104 31 4ZZ 0.01041 0.00926 -0.00498 0.00213 0.00414 32 4XY -0.01003 -0.01586 -0.01472 0.00847 -0.00078 33 4XZ 0.00613 0.00848 0.00564 -0.00476 -0.00109 34 4YZ -0.00323 -0.00966 0.00287 -0.00240 -0.00057 35 3 O 1S 0.00093 -0.01080 -0.01453 0.01252 0.02972 36 2S -0.00505 0.01047 0.02206 -0.02555 -0.05867 37 2PX -0.13629 0.08141 0.01703 -0.10761 0.05543 38 2PY 0.37014 0.22731 -0.05932 0.10947 -0.06595 39 2PZ -0.06598 -0.01028 0.15067 -0.01898 -0.05786 40 3S 0.03319 0.10819 0.13124 -0.06310 -0.24643 41 3PX -0.09259 0.07023 0.00226 -0.08958 0.06106 42 3PY 0.27799 0.16633 -0.04284 0.08287 -0.06085 43 3PZ -0.04111 0.01452 0.13666 -0.02276 -0.06572 44 4XX -0.00231 -0.00977 -0.00833 0.00783 0.01070 45 4YY 0.00792 -0.00001 -0.00797 0.00261 0.00606 46 4ZZ -0.00662 -0.00397 0.00377 -0.00403 -0.00031 47 4XY -0.00195 0.00043 0.00202 -0.00128 -0.00022 48 4XZ -0.00421 0.00187 -0.00010 -0.00324 -0.00079 49 4YZ 0.01159 0.00727 0.00485 -0.00048 -0.00278 50 4 C 1S -0.01850 0.00147 0.01268 0.00099 -0.00647 51 2S 0.05125 0.00120 -0.03260 -0.00203 0.03226 52 2PX -0.12782 0.23703 -0.14037 0.12259 0.02304 53 2PY 0.13234 -0.08264 0.02153 -0.05350 0.01074 54 2PZ -0.07439 -0.08035 0.11311 -0.02450 -0.03296 55 3S 0.05508 -0.04075 -0.05282 0.00247 0.02889 56 3PX -0.11076 0.15224 -0.09341 0.08927 0.03430 57 3PY 0.04976 -0.08242 0.02997 -0.03909 -0.04192 58 3PZ -0.05112 -0.06052 0.08927 0.00084 -0.01094 59 4XX -0.00696 0.00885 -0.00152 0.00281 -0.00592 60 4YY -0.00325 -0.00492 0.00169 0.00176 0.00339 61 4ZZ 0.00998 -0.00379 -0.00053 -0.00366 0.00541 62 4XY -0.00248 0.00389 -0.00065 0.00219 0.00328 63 4XZ -0.00157 0.00763 -0.00256 0.00083 -0.00675 64 4YZ 0.00316 -0.00435 0.00416 -0.00065 0.00393 65 5 C 1S 0.00263 -0.00112 0.00927 -0.00215 -0.01293 66 2S -0.00847 -0.00866 -0.02585 0.01030 0.01637 67 2PX 0.07170 -0.06385 -0.03923 0.05382 0.08769 68 2PY -0.17491 -0.02248 -0.01127 0.01112 0.01091 69 2PZ 0.04060 0.00073 -0.04208 -0.03463 -0.02242 70 3S -0.01927 0.04827 -0.03195 -0.00507 0.12269 71 3PX 0.01781 -0.03264 -0.03873 0.00187 0.13682 72 3PY -0.04009 0.03017 -0.02436 -0.01219 0.02383 73 3PZ 0.00594 0.02237 0.03722 -0.00406 0.00553 74 4XX -0.00951 -0.00522 0.00861 0.00300 -0.01144 75 4YY -0.00160 0.00530 -0.00644 -0.00111 0.00930 76 4ZZ 0.01125 -0.00368 -0.00236 -0.00109 -0.00217 77 4XY 0.01958 0.00092 0.00427 0.00067 -0.00254 78 4XZ -0.00079 0.01225 -0.00440 -0.00138 0.00873 79 4YZ -0.01032 -0.00008 0.00945 -0.00015 -0.00556 80 6 C 1S 0.02102 -0.00057 0.00274 -0.00047 -0.00184 81 2S -0.05372 0.01059 -0.00673 -0.00268 0.01449 82 2PX -0.04945 -0.02572 -0.07763 -0.08725 0.11964 83 2PY 0.22082 -0.04049 -0.04582 -0.06455 0.09290 84 2PZ -0.02793 0.05086 0.12490 0.11698 -0.17168 85 3S -0.08554 -0.03704 0.00327 -0.00763 -0.04620 86 3PX 0.03486 -0.01420 -0.06170 -0.04086 0.12219 87 3PY 0.11919 0.00116 -0.03234 -0.04961 0.08679 88 3PZ 0.00352 0.03582 0.07052 0.05629 -0.18720 89 4XX -0.00146 0.00388 0.00854 0.01133 0.02165 90 4YY -0.00415 -0.00169 0.00344 -0.00346 -0.00247 91 4ZZ 0.00417 0.00048 -0.01057 -0.01047 -0.01807 92 4XY 0.00643 0.00125 0.00792 0.00583 0.00788 93 4XZ 0.00389 -0.00073 -0.00318 -0.00467 -0.00764 94 4YZ -0.00378 0.00437 0.00190 0.00337 0.00624 95 7 C 1S -0.00207 -0.00937 0.00712 -0.00774 0.01383 96 2S 0.00643 0.03585 -0.00856 0.01044 -0.03440 97 2PX -0.00080 -0.00376 0.07121 0.12538 0.09467 98 2PY -0.02315 -0.05154 0.10386 0.01379 0.09410 99 2PZ -0.07990 0.05688 -0.18776 -0.08665 -0.17942 100 3S -0.01274 -0.00996 -0.04268 0.04953 -0.10009 101 3PX -0.00100 -0.03486 0.03222 0.08719 0.08099 102 3PY 0.01402 0.01935 0.06728 -0.01346 0.09972 103 3PZ -0.02367 0.03601 -0.10254 -0.08605 -0.22390 104 4XX 0.00032 0.00513 0.00174 -0.00258 0.00085 105 4YY -0.00525 -0.00037 0.00911 0.00527 -0.01365 106 4ZZ 0.00426 -0.00139 -0.00838 -0.00540 0.01115 107 4XY 0.00178 -0.00251 0.00750 0.00993 -0.01503 108 4XZ 0.00357 -0.00017 0.00055 0.00515 -0.00836 109 4YZ -0.00387 0.00450 -0.00386 -0.01044 0.01446 110 8 C 1S 0.01123 -0.01211 -0.01970 0.01660 -0.01466 111 2S -0.02136 0.01682 0.02276 -0.01004 0.01859 112 2PX -0.02925 0.01090 0.11646 -0.13129 0.03799 113 2PY 0.02827 0.01838 -0.04507 0.00425 -0.01159 114 2PZ 0.02645 -0.05151 -0.07796 0.13788 -0.03947 115 3S -0.04787 0.09440 0.16838 -0.20446 0.16079 116 3PX -0.03631 -0.02152 0.08616 -0.09316 -0.00862 117 3PY -0.00409 -0.00722 -0.05646 0.07610 0.02671 118 3PZ 0.01108 -0.07241 -0.13003 0.11627 -0.11424 119 4XX 0.00213 -0.00405 -0.00845 -0.00458 -0.01421 120 4YY -0.00305 0.00326 -0.00016 0.00875 0.00007 121 4ZZ 0.00284 -0.00212 0.00624 -0.00417 0.01055 122 4XY 0.00632 -0.00854 0.00448 -0.00057 0.00746 123 4XZ -0.00047 0.00663 -0.00134 0.01125 0.00178 124 4YZ -0.00214 0.00299 -0.00185 -0.00538 -0.00526 125 9 C 1S -0.00419 0.00111 -0.00649 -0.00898 -0.00664 126 2S 0.01001 -0.00695 0.01470 0.02127 0.03784 127 2PX -0.14569 0.25030 -0.09178 0.08282 -0.11678 128 2PY 0.05266 -0.11798 0.04189 0.02935 0.07691 129 2PZ 0.06767 -0.08940 0.01908 -0.05741 0.03151 130 3S 0.03520 0.01424 -0.00450 0.07630 0.01567 131 3PX -0.10129 0.17600 -0.05360 0.08454 -0.10321 132 3PY 0.02682 -0.08589 0.02633 0.05171 0.08478 133 3PZ 0.03908 -0.07725 0.03418 -0.03813 0.10298 134 4XX 0.00288 -0.00844 0.00463 -0.00505 -0.00179 135 4YY -0.00549 0.00188 -0.00309 0.00752 0.00072 136 4ZZ 0.00298 0.00503 -0.00451 -0.00155 0.00676 137 4XY -0.00064 -0.00359 0.00731 -0.00318 0.00421 138 4XZ 0.00641 -0.00535 0.00071 -0.00138 -0.00145 139 4YZ -0.00180 0.00367 -0.00410 0.00514 -0.00028 140 10 H 1S -0.05454 -0.00634 0.01427 0.01201 0.00075 141 2S -0.07740 -0.01416 0.02712 0.01556 -0.02199 142 11 H 1S 0.03234 0.03837 0.03401 -0.00320 -0.00880 143 2S 0.04333 0.05666 0.05619 -0.01320 0.00373 144 12 H 1S 0.00863 -0.00016 0.00387 0.01604 0.01234 145 2S 0.02827 0.02087 0.01739 0.01629 0.04828 146 13 H 1S 0.02201 0.01081 -0.00948 -0.03040 0.00122 147 2S 0.02425 0.01459 -0.02358 -0.04225 -0.03073 148 14 C 1S -0.01022 0.00226 0.00092 -0.00274 -0.00303 149 2S 0.02024 -0.00429 -0.00332 0.00509 0.00605 150 2PX 0.09575 -0.03749 -0.10627 -0.11658 -0.14954 151 2PY -0.01880 -0.02453 -0.08744 -0.11742 -0.15331 152 2PZ -0.06228 0.05435 0.14688 0.18613 0.23185 153 3S 0.07115 -0.00139 -0.01179 0.01996 0.02992 154 3PX 0.06533 -0.01855 -0.08659 -0.10033 -0.18181 155 3PY 0.00149 -0.03597 -0.06987 -0.08791 -0.19442 156 3PZ -0.03232 0.03795 0.11152 0.15120 0.29105 157 4XX 0.00189 -0.00231 -0.00570 -0.00555 0.00906 158 4YY -0.00547 0.00118 0.00176 0.00105 -0.00229 159 4ZZ 0.00118 0.00156 0.00329 0.00386 -0.00704 160 4XY 0.00921 -0.00210 -0.00093 -0.00152 0.00365 161 4XZ 0.00351 0.00040 0.00299 0.00342 -0.00471 162 4YZ 0.00356 -0.00114 -0.00286 -0.00337 0.00411 163 15 H 1S -0.06021 0.00730 0.00051 -0.00220 -0.00265 164 2S -0.08153 0.02027 -0.00640 -0.01380 0.00834 165 16 H 1S 0.03731 -0.00678 0.00026 -0.00137 -0.00100 166 2S 0.04561 -0.00784 0.00462 -0.00394 -0.01358 167 17 C 1S 0.00722 0.00275 -0.00794 0.00395 -0.00454 168 2S -0.01521 -0.00138 0.02771 -0.01238 0.00366 169 2PX 0.03293 -0.05399 0.16362 0.13698 -0.19775 170 2PY 0.05230 -0.00650 0.03418 0.08892 -0.09760 171 2PZ -0.01587 0.04381 -0.16426 -0.19200 0.22046 172 3S -0.03713 -0.03760 0.00082 0.01138 0.04544 173 3PX 0.01637 -0.03189 0.10516 0.12762 -0.24458 174 3PY 0.03092 0.00511 0.04719 0.05937 -0.10691 175 3PZ -0.02250 0.05131 -0.11566 -0.15089 0.28175 176 4XX 0.00052 0.00141 0.00198 0.00281 0.00101 177 4YY -0.00019 0.00109 -0.00287 -0.00323 -0.00601 178 4ZZ 0.00282 -0.00074 0.00274 0.00000 0.00285 179 4XY 0.00104 -0.00001 -0.00192 -0.00615 -0.00423 180 4XZ 0.00032 0.00102 -0.00203 -0.00185 -0.00366 181 4YZ 0.00384 -0.00328 0.00887 0.00216 0.00803 182 18 H 1S 0.02394 -0.00743 0.01581 -0.01385 0.00130 183 2S 0.03841 -0.01566 0.01177 -0.01656 0.00491 184 19 H 1S -0.00802 0.01447 -0.02048 0.01996 -0.01021 185 2S -0.01215 0.02118 -0.03759 0.02456 -0.05224 46 47 48 49 50 V V V V V Eigenvalues -- -0.02665 0.00607 0.03943 0.07723 0.08725 1 1 S 1S 0.01217 -0.01340 -0.01141 -0.00792 -0.00696 2 2S -0.05318 0.04447 0.04790 0.02906 0.03335 3 2PX 0.07632 -0.07131 -0.11469 -0.01278 -0.03670 4 2PY -0.03240 -0.07899 -0.10156 0.01139 -0.04146 5 2PZ -0.08336 -0.15308 0.04802 -0.01327 0.01973 6 3S 0.14743 -0.20759 -0.15344 -0.11656 -0.08150 7 3PX -0.22304 0.21762 0.33310 0.03623 0.11159 8 3PY 0.09633 0.23677 0.30257 -0.03740 0.12433 9 3PZ 0.24857 0.44583 -0.14517 0.03654 -0.05484 10 4S 0.19749 0.10266 -0.10237 -0.04361 -0.17626 11 4PX -0.20887 0.06841 0.56521 0.06022 0.21885 12 4PY 0.16388 0.23806 0.59849 -0.04877 0.23792 13 4PZ 0.13840 0.59046 -0.29281 0.11954 -0.19000 14 5XX 0.00012 -0.00998 0.05819 -0.00859 -0.01502 15 5YY -0.02130 0.00829 -0.08232 0.02161 -0.02392 16 5ZZ 0.01766 -0.00628 0.04225 -0.01192 0.05354 17 5XY 0.01187 0.04513 -0.00219 0.01702 0.01335 18 5XZ 0.01471 0.09757 0.00185 0.00188 -0.01347 19 5YZ 0.01315 -0.01227 0.10425 -0.02463 0.04857 20 2 O 1S 0.00892 -0.00451 0.03858 -0.01057 0.01020 21 2S -0.00736 0.02126 -0.04864 0.02328 -0.00623 22 2PX 0.09565 -0.08090 -0.15758 -0.03465 -0.07412 23 2PY 0.00842 -0.15021 0.11466 -0.06769 0.02931 24 2PZ -0.12307 -0.19499 -0.08914 0.01155 0.00226 25 3S -0.11862 -0.00277 -0.48491 0.09406 -0.16157 26 3PX 0.10022 -0.07779 -0.18429 -0.03529 -0.08366 27 3PY 0.01859 -0.15013 0.16843 -0.06754 0.05556 28 3PZ -0.12679 -0.23686 -0.09974 0.00892 -0.00627 29 4XX 0.00463 0.00432 0.02110 -0.00333 0.00461 30 4YY 0.00462 0.00409 0.01628 -0.00105 0.00812 31 4ZZ 0.00564 0.00077 0.02135 -0.00226 0.00961 32 4XY -0.00003 0.00190 -0.00079 0.00015 -0.00083 33 4XZ 0.00202 0.00642 -0.00080 0.00145 0.00076 34 4YZ 0.00128 -0.00029 0.00409 0.00048 0.00088 35 3 O 1S 0.01419 -0.06771 -0.02737 0.00643 0.01013 36 2S -0.02939 0.10948 0.04394 -0.01989 -0.01319 37 2PX 0.10124 0.11376 0.09024 0.07645 0.16545 38 2PY 0.00129 0.11764 0.06078 0.01734 0.01386 39 2PZ -0.10130 0.16201 0.17045 -0.05151 0.06312 40 3S -0.11893 0.62615 0.29450 -0.05255 -0.12183 41 3PX 0.11326 0.06712 0.14015 0.09155 0.24931 42 3PY -0.00593 0.14377 0.08918 0.00790 0.04133 43 3PZ -0.09997 0.17500 0.17436 -0.08482 0.04214 44 4XX -0.00394 -0.03358 -0.00973 -0.00361 0.01098 45 4YY 0.00823 -0.01784 -0.00628 -0.00608 0.00148 46 4ZZ 0.00253 -0.01398 -0.01131 0.00399 -0.00082 47 4XY 0.00049 -0.00857 0.00516 -0.00513 0.00242 48 4XZ 0.00250 0.00020 -0.01188 0.00129 -0.00203 49 4YZ -0.00136 0.00240 0.00012 0.00079 -0.00332 50 4 C 1S -0.00253 -0.01024 0.02813 0.03267 -0.01296 51 2S 0.00505 0.02249 -0.04361 -0.05031 0.05048 52 2PX 0.32728 -0.02590 0.13579 0.00789 -0.10665 53 2PY -0.12112 0.01777 -0.05373 0.14679 0.03069 54 2PZ -0.11714 -0.00328 0.01188 -0.03524 -0.00252 55 3S 0.06311 0.01426 -0.38990 -0.52566 -0.11312 56 3PX 0.43087 -0.04680 0.19796 0.04847 -0.20934 57 3PY -0.11568 -0.02555 -0.08252 0.29385 -0.08218 58 3PZ -0.14392 -0.06341 0.03400 -0.06044 0.02380 59 4XX -0.01337 0.00470 -0.00519 -0.00233 -0.00093 60 4YY 0.00638 -0.00610 0.00928 0.01779 -0.00471 61 4ZZ 0.00758 -0.00181 0.00022 -0.01100 0.00483 62 4XY -0.00701 0.00186 -0.00060 0.00915 0.00463 63 4XZ -0.00824 0.00499 -0.00309 -0.00738 -0.00206 64 4YZ 0.00660 0.00225 0.00121 -0.00419 -0.00372 65 5 C 1S -0.00631 0.02848 -0.00958 0.02088 -0.03955 66 2S 0.02382 -0.05800 -0.00016 -0.03828 0.05781 67 2PX 0.02635 -0.14081 0.01455 0.09926 0.08865 68 2PY 0.01690 -0.04685 0.00648 0.13918 0.02747 69 2PZ -0.00084 0.04356 0.01965 0.06853 -0.06301 70 3S -0.03509 -0.22217 0.18179 -0.35391 0.54036 71 3PX 0.09291 -0.21449 0.08794 0.22867 0.17406 72 3PY -0.05042 -0.03381 0.03592 0.32619 0.10012 73 3PZ -0.08038 0.11637 0.19716 0.21654 -0.05524 74 4XX -0.00660 0.00428 0.00813 -0.00667 -0.01615 75 4YY 0.01258 0.00493 -0.00318 -0.00192 0.00891 76 4ZZ -0.00523 -0.00674 -0.01013 0.01197 0.00112 77 4XY -0.01593 0.00779 -0.00150 0.00660 0.00338 78 4XZ 0.01442 0.00747 0.00702 0.01412 0.01165 79 4YZ -0.00209 -0.00667 0.01128 0.00638 -0.00980 80 6 C 1S -0.01823 -0.00090 0.00258 0.02123 0.00901 81 2S 0.03982 -0.00593 0.00832 -0.03632 -0.01100 82 2PX 0.04763 0.07808 -0.09185 0.00593 0.14253 83 2PY -0.06606 0.07142 -0.09869 0.05949 0.15480 84 2PZ -0.02444 -0.11446 0.12052 -0.05786 -0.22148 85 3S 0.18436 -0.01822 -0.18562 -0.27394 -0.11098 86 3PX 0.09739 0.10816 -0.16592 0.04565 0.08456 87 3PY -0.08989 0.11461 -0.13971 0.08576 0.26513 88 3PZ -0.02272 -0.17506 0.06011 -0.06956 -0.35962 89 4XX -0.00059 0.00489 -0.00362 0.00692 0.00146 90 4YY -0.00093 0.00123 0.00171 -0.00459 -0.01136 91 4ZZ 0.00134 -0.01004 0.00036 0.00193 0.01017 92 4XY -0.00309 0.00986 -0.00329 -0.00999 -0.01113 93 4XZ -0.00269 -0.00150 0.00249 0.00167 -0.00772 94 4YZ 0.00557 0.00208 -0.00206 -0.00097 0.00711 95 7 C 1S 0.01803 -0.02029 0.01149 0.01525 -0.00467 96 2S -0.03042 0.04104 -0.03511 -0.02399 0.00093 97 2PX -0.10488 0.12091 -0.00893 -0.05418 -0.20854 98 2PY 0.01380 -0.01218 0.03906 -0.00569 -0.11720 99 2PZ 0.03860 -0.05269 -0.05914 0.06475 0.27240 100 3S -0.16394 0.23904 -0.05021 -0.20002 0.24318 101 3PX -0.18037 0.18774 -0.02670 -0.03775 -0.26031 102 3PY 0.05281 -0.05023 -0.14537 -0.00767 -0.28040 103 3PZ 0.08539 -0.03454 -0.17230 0.11584 0.39454 104 4XX -0.00711 -0.00340 0.00932 -0.00059 -0.00381 105 4YY 0.00728 -0.00720 0.00550 0.00878 0.00107 106 4ZZ 0.00446 0.01206 -0.01472 -0.00280 0.00654 107 4XY 0.00523 -0.00482 -0.00055 -0.00715 -0.00451 108 4XZ -0.00088 0.00369 -0.00514 0.00011 0.00372 109 4YZ -0.00709 0.00156 0.00327 -0.00168 -0.00552 110 8 C 1S 0.02077 0.03684 -0.03275 0.03008 -0.04418 111 2S -0.05720 -0.02824 0.06181 -0.04086 0.08209 112 2PX -0.07187 -0.12721 0.11931 -0.07146 0.10556 113 2PY 0.00478 0.01828 -0.05895 -0.05556 -0.00896 114 2PZ 0.09044 0.09362 -0.16511 -0.14211 -0.05556 115 3S -0.02514 -0.49237 0.29536 -0.49546 0.45293 116 3PX -0.15027 -0.10417 0.26210 -0.21477 0.41673 117 3PY -0.00778 -0.06803 0.05574 -0.25156 0.05886 118 3PZ 0.09607 0.29447 -0.30442 -0.26955 0.04339 119 4XX 0.01067 0.00982 -0.00234 0.00342 0.01787 120 4YY -0.01298 0.00807 0.00229 0.00369 -0.00976 121 4ZZ 0.00651 -0.00821 -0.00359 -0.00183 -0.01395 122 4XY 0.01352 -0.00370 0.01919 0.00576 -0.00120 123 4XZ -0.02108 0.00385 0.00322 0.00572 -0.00426 124 4YZ -0.00029 -0.00860 -0.01100 0.01749 0.00795 125 9 C 1S 0.00098 -0.01411 -0.01483 0.04882 0.01667 126 2S 0.00049 0.03401 0.05034 -0.08820 -0.04391 127 2PX -0.28305 0.04939 -0.06480 -0.04540 0.05883 128 2PY 0.09919 0.00447 0.07666 0.03618 -0.07992 129 2PZ 0.11242 -0.03082 0.00550 -0.13109 -0.01341 130 3S -0.07488 0.12159 0.16204 -0.66777 0.00851 131 3PX -0.37708 0.06707 -0.16093 -0.09655 -0.03562 132 3PY 0.11393 -0.05951 0.11557 0.06539 -0.10989 133 3PZ 0.18687 -0.05565 -0.00664 -0.33229 -0.21595 134 4XX -0.01508 0.00232 -0.00750 -0.00101 0.00403 135 4YY 0.00805 0.00050 0.00688 -0.01193 0.00139 136 4ZZ 0.00514 -0.00265 0.00673 0.01835 -0.00088 137 4XY -0.01127 -0.00264 0.00240 -0.00657 0.00417 138 4XZ -0.00860 0.00274 -0.00022 0.00330 0.00467 139 4YZ 0.01215 0.00566 -0.00651 -0.01226 -0.00872 140 10 H 1S 0.00068 -0.01944 0.03321 0.06634 -0.00840 141 2S 0.00618 -0.08676 0.20078 0.76472 -0.14726 142 11 H 1S -0.01238 0.03063 0.03740 0.05996 0.00557 143 2S -0.04836 0.09701 0.17420 0.78062 -0.15601 144 12 H 1S -0.01037 -0.03510 -0.02459 0.05927 -0.03997 145 2S -0.00762 -0.05193 -0.02574 0.81492 -0.46494 146 13 H 1S -0.00912 -0.02380 0.01370 0.07842 0.03011 147 2S -0.03521 -0.09002 0.03047 0.90291 0.18004 148 14 C 1S 0.00439 0.00494 -0.00020 0.01246 -0.02299 149 2S -0.00839 -0.01055 0.00390 -0.01960 0.03683 150 2PX -0.04306 -0.05872 0.07446 0.03806 -0.12282 151 2PY -0.02410 -0.05348 0.06256 -0.00978 -0.04814 152 2PZ 0.02161 0.09206 -0.08823 0.09879 0.11915 153 3S 0.00670 -0.05786 -0.03744 -0.19753 0.23482 154 3PX -0.04192 -0.07872 0.11274 0.16042 -0.30670 155 3PY -0.01622 -0.11372 0.11454 -0.00527 -0.05674 156 3PZ 0.01691 0.15570 -0.11431 0.23395 0.18770 157 4XX 0.00235 0.00627 -0.00770 0.00085 0.01483 158 4YY 0.00038 0.00117 0.00297 0.00095 -0.00903 159 4ZZ -0.00093 -0.00661 0.00641 -0.00128 -0.01041 160 4XY -0.00307 0.00116 -0.00419 0.00348 0.00526 161 4XZ -0.00173 -0.00355 0.00476 -0.00403 -0.00807 162 4YZ 0.00009 0.00125 -0.00362 0.00508 0.00840 163 15 H 1S 0.01155 0.01146 0.00273 0.00183 -0.01800 164 2S 0.02359 0.06535 0.00365 0.11263 -0.31347 165 16 H 1S -0.00572 -0.00907 -0.00075 0.01219 -0.00622 166 2S -0.03397 0.01531 0.03631 0.35668 -0.14127 167 17 C 1S -0.00446 0.00867 -0.01128 0.01362 -0.02411 168 2S 0.01446 -0.01868 0.01384 -0.02141 0.03430 169 2PX 0.08848 -0.04944 -0.04924 0.02767 0.09794 170 2PY 0.02320 0.00232 -0.05017 -0.05227 0.11462 171 2PZ -0.10969 0.07281 0.04929 -0.07693 -0.12258 172 3S -0.01850 -0.03753 0.22473 -0.22407 0.40629 173 3PX 0.10120 -0.09417 -0.03538 0.02901 0.16986 174 3PY 0.05261 -0.01312 -0.10661 -0.18513 0.27524 175 3PZ -0.13046 0.10090 0.04358 -0.17220 -0.26514 176 4XX -0.00192 0.00099 0.00216 0.00068 -0.00835 177 4YY 0.00181 -0.00173 -0.00323 -0.00131 0.01100 178 4ZZ 0.00060 0.00296 -0.00212 0.00071 -0.00801 179 4XY 0.00412 -0.00578 0.00122 0.00494 0.01198 180 4XZ 0.00123 -0.00166 -0.00257 0.00395 0.00505 181 4YZ -0.00201 0.00194 0.00525 -0.00418 -0.01374 182 18 H 1S 0.00545 -0.00391 0.00414 0.00958 -0.00764 183 2S 0.01584 -0.01358 0.00826 0.32237 -0.24804 184 19 H 1S -0.00826 0.01047 -0.01935 0.00709 -0.01657 185 2S -0.03338 0.04129 -0.06955 0.12710 -0.31538 51 52 53 54 55 V V V V V Eigenvalues -- 0.09941 0.10802 0.11742 0.14015 0.15577 1 1 S 1S -0.02323 0.00557 0.02368 0.00159 0.00160 2 2S 0.10306 -0.02808 -0.09606 -0.00085 -0.00038 3 2PX -0.06333 0.02611 0.06405 -0.01090 -0.00868 4 2PY 0.06773 -0.00962 -0.04762 0.00124 0.00707 5 2PZ -0.03093 0.00581 -0.01091 -0.02028 -0.01974 6 3S -0.28371 0.06000 0.32025 0.03905 0.04439 7 3PX 0.20121 -0.08457 -0.20323 0.03494 0.04124 8 3PY -0.20565 0.02824 0.14671 -0.00166 -0.02375 9 3PZ 0.09897 -0.02998 0.03343 0.07402 0.06532 10 4S -0.53927 0.18837 0.41814 -0.07115 -0.12619 11 4PX 0.11147 -0.02055 -0.22679 0.03117 -0.05922 12 4PY -0.63637 0.22595 0.36091 -0.10876 -0.08639 13 4PZ 0.19854 0.12854 -0.04534 -0.04840 0.01846 14 5XX -0.06559 0.02428 0.04700 0.01376 -0.03132 15 5YY 0.08007 -0.01868 -0.04474 0.01451 0.01566 16 5ZZ -0.00834 -0.01568 -0.00563 -0.02455 0.01048 17 5XY 0.00876 0.00595 -0.00886 -0.00772 -0.00319 18 5XZ -0.00355 0.02140 0.02784 -0.02420 0.00529 19 5YZ -0.06495 -0.00044 0.03947 -0.00052 0.00424 20 2 O 1S -0.05415 0.01194 0.03470 -0.00509 -0.00692 21 2S 0.08200 -0.01356 -0.05955 0.00739 0.00669 22 2PX -0.05366 0.01562 0.07521 -0.01816 0.00678 23 2PY -0.19283 0.03139 0.14039 -0.01586 -0.01714 24 2PZ 0.10630 -0.03079 -0.08940 -0.01438 -0.00565 25 3S 0.64509 -0.16030 -0.38498 0.06837 0.09962 26 3PX -0.06343 0.01594 0.08959 -0.01357 0.00863 27 3PY -0.28226 0.04834 0.18006 -0.01659 -0.03630 28 3PZ 0.13939 -0.05993 -0.11511 0.01149 0.00869 29 4XX -0.02346 0.00750 0.01401 -0.00266 -0.00587 30 4YY -0.01407 0.00494 0.00617 -0.00271 -0.00325 31 4ZZ -0.02088 0.00362 0.01165 -0.00075 -0.00185 32 4XY -0.00186 0.00223 0.00291 -0.00145 -0.00035 33 4XZ 0.00051 0.00187 0.00003 -0.00149 -0.00035 34 4YZ -0.00549 0.00230 0.00042 -0.00314 -0.00174 35 3 O 1S -0.00997 0.00013 0.01552 -0.01705 0.00038 36 2S 0.03482 -0.01030 -0.03978 0.02703 0.00705 37 2PX 0.03535 -0.00775 -0.00572 -0.03718 0.02785 38 2PY 0.17898 -0.04221 -0.12962 -0.02674 0.04013 39 2PZ -0.01511 -0.01861 -0.04131 0.00043 -0.02233 40 3S 0.00071 0.05827 -0.09748 0.19650 0.00753 41 3PX 0.03771 0.01753 -0.03119 -0.09824 0.02339 42 3PY 0.18474 -0.00068 -0.13634 -0.06999 0.07494 43 3PZ -0.04111 0.01695 -0.07444 0.04752 -0.00200 44 4XX 0.00580 -0.00562 -0.00437 -0.00005 0.01104 45 4YY -0.00364 0.00092 0.00573 -0.01321 0.00030 46 4ZZ 0.00589 -0.00338 -0.00122 0.00000 0.00216 47 4XY -0.00692 0.00332 0.00318 -0.00561 0.00272 48 4XZ 0.00359 0.00118 -0.00206 -0.00212 -0.00374 49 4YZ -0.00204 0.00346 0.00662 -0.00023 -0.00124 50 4 C 1S 0.01952 0.00654 0.02931 -0.00178 0.09263 51 2S -0.02993 -0.01281 -0.04368 0.01063 -0.13341 52 2PX 0.09528 -0.01615 -0.00983 0.01377 0.05730 53 2PY -0.00390 0.00113 0.12547 -0.06212 0.21118 54 2PZ -0.01290 0.03421 0.05396 -0.00872 0.00266 55 3S -0.44468 0.08888 -0.39672 0.05041 -1.47902 56 3PX 0.15730 0.07647 -0.02909 0.09364 0.27291 57 3PY -0.05093 0.09876 0.38609 -0.14979 0.84483 58 3PZ -0.01947 0.22909 0.00313 0.02231 -0.03969 59 4XX -0.00725 0.00245 0.00571 0.00329 0.00231 60 4YY 0.00369 0.00335 0.00614 0.00007 0.00191 61 4ZZ 0.00448 -0.00015 -0.00737 0.00025 0.01254 62 4XY -0.00567 0.00305 0.00215 -0.00138 0.00255 63 4XZ -0.00697 0.00471 0.00462 0.00899 0.00353 64 4YZ 0.00048 0.00187 -0.00677 -0.00854 -0.00316 65 5 C 1S -0.00718 -0.02432 0.01748 -0.03921 -0.05929 66 2S 0.00948 0.01874 -0.00085 0.08302 0.12015 67 2PX 0.01355 -0.07703 0.06909 -0.18660 -0.01591 68 2PY 0.02028 -0.10183 0.08939 0.11679 -0.07948 69 2PZ 0.03780 -0.09626 0.11329 0.04782 0.02168 70 3S 0.05035 0.53682 -0.62036 0.46917 0.66818 71 3PX 0.09596 -0.22506 0.27423 -0.46948 -0.26586 72 3PY 0.05300 -0.37060 0.09756 0.24929 -0.42242 73 3PZ 0.15995 -0.30360 0.28804 0.11584 -0.14721 74 4XX -0.00492 -0.00140 -0.00427 0.00273 -0.00393 75 4YY 0.00286 -0.00467 -0.00133 -0.01080 -0.00368 76 4ZZ 0.00071 -0.00100 0.00680 -0.00179 -0.00329 77 4XY 0.00575 0.00028 0.00280 0.00695 0.00342 78 4XZ 0.00637 -0.00201 -0.00692 0.00078 0.00456 79 4YZ 0.00620 0.00657 0.01473 -0.00692 0.00610 80 6 C 1S 0.00009 0.02164 -0.01409 0.03644 0.00648 81 2S 0.01608 -0.05824 0.02764 -0.05308 -0.00339 82 2PX -0.02591 -0.02223 0.02189 -0.06233 0.00973 83 2PY -0.00693 -0.08018 0.03742 0.09461 0.05326 84 2PZ 0.08496 -0.01942 0.08796 -0.00588 -0.00379 85 3S -0.06092 0.15459 0.15645 -0.47875 0.05501 86 3PX -0.08613 0.11042 0.04752 -0.11508 0.26502 87 3PY -0.09696 0.05222 -0.20131 0.18438 0.21515 88 3PZ 0.02879 0.15602 -0.03017 -0.03906 0.18038 89 4XX 0.00567 0.00373 0.00835 -0.00787 -0.00124 90 4YY -0.00197 0.00069 -0.00084 0.02906 0.01079 91 4ZZ -0.00354 0.00387 -0.00957 -0.01140 -0.00006 92 4XY -0.00658 0.00828 -0.01198 -0.01540 0.00145 93 4XZ 0.00431 0.01008 -0.00282 -0.01308 0.00053 94 4YZ -0.00574 0.00276 -0.01567 0.00543 0.00561 95 7 C 1S 0.00302 -0.01374 0.02938 0.03454 -0.00310 96 2S -0.01168 0.04099 -0.06422 -0.04882 0.03716 97 2PX 0.08308 -0.00983 0.08308 -0.10945 -0.04885 98 2PY 0.01954 -0.03834 0.04484 0.06417 0.04249 99 2PZ -0.06246 -0.08179 0.01964 -0.06222 -0.01954 100 3S 0.25969 -0.04124 -0.17892 -0.51826 -0.23956 101 3PX 0.14973 0.22636 -0.02663 -0.24480 -0.16645 102 3PY -0.05547 0.10500 0.05358 0.24673 0.35607 103 3PZ -0.12629 0.11030 -0.11751 -0.10936 0.05668 104 4XX 0.00229 -0.00494 -0.00480 0.01725 0.00316 105 4YY 0.01136 0.00600 -0.00125 -0.01233 -0.00951 106 4ZZ -0.00809 -0.00638 0.01049 0.00060 0.00515 107 4XY -0.00431 -0.01263 0.00997 -0.01749 0.00421 108 4XZ 0.00284 -0.01071 0.00165 0.01320 0.00581 109 4YZ 0.00516 -0.00735 0.00708 -0.01922 -0.00393 110 8 C 1S -0.04637 0.04006 0.02665 -0.05861 -0.02541 111 2S 0.09210 -0.05222 -0.09136 0.09121 -0.00844 112 2PX 0.12023 -0.13890 -0.10961 -0.15300 0.03275 113 2PY 0.02889 -0.09324 0.09030 0.07874 0.11054 114 2PZ -0.04270 -0.04801 0.22399 -0.03143 0.07841 115 3S 0.43024 -0.74114 0.11219 0.77580 0.83295 116 3PX 0.37818 -0.38883 -0.23643 -0.40966 -0.00252 117 3PY 0.08508 -0.49628 0.17046 0.24392 0.24290 118 3PZ 0.17777 -0.24566 0.34966 -0.17645 0.12858 119 4XX 0.00193 0.00076 -0.01082 -0.01005 -0.00319 120 4YY -0.00697 -0.00278 0.00366 -0.00344 0.00897 121 4ZZ -0.00506 0.00755 0.00706 0.00253 -0.01322 122 4XY 0.00183 0.00609 -0.00030 0.00475 0.00102 123 4XZ 0.01138 0.00757 -0.00541 -0.01079 -0.00554 124 4YZ 0.00718 0.00256 -0.00438 0.00346 -0.00167 125 9 C 1S 0.02378 0.02341 -0.01478 -0.00141 -0.03713 126 2S -0.06687 -0.01490 0.05634 0.01097 0.07818 127 2PX -0.18643 0.01455 0.14516 0.01469 0.00823 128 2PY 0.01391 -0.00595 -0.01178 -0.02438 -0.01489 129 2PZ 0.05149 -0.10719 -0.04290 0.03408 -0.00919 130 3S -0.13143 -0.69304 0.03438 0.04172 0.24354 131 3PX -0.35360 0.08791 0.26137 0.05032 -0.03728 132 3PY -0.02421 0.07143 -0.14853 -0.09889 -0.35279 133 3PZ -0.12774 -0.07629 0.10781 0.06650 0.15701 134 4XX -0.00161 0.00091 0.00094 -0.00999 -0.00190 135 4YY -0.00078 0.00087 0.00175 0.01263 -0.00512 136 4ZZ 0.00486 -0.00064 0.00001 0.00036 -0.00040 137 4XY 0.00387 -0.00546 -0.00537 -0.00484 -0.00279 138 4XZ -0.00705 0.00135 0.00935 -0.00310 -0.00114 139 4YZ -0.00352 -0.00314 0.00894 -0.00228 -0.00270 140 10 H 1S 0.00408 0.00986 0.03431 0.00107 0.05562 141 2S 0.21882 0.05324 0.65673 -0.19202 1.70438 142 11 H 1S 0.04549 -0.00953 0.04009 -0.02859 -0.01637 143 2S 0.23720 -0.75660 0.75756 -0.21799 -0.72080 144 12 H 1S 0.00761 0.06523 -0.00047 -0.01461 -0.02950 145 2S -0.50021 1.01721 -0.31104 -0.14176 -0.64876 146 13 H 1S 0.01230 0.00910 -0.01706 0.01053 -0.01541 147 2S 0.27207 0.43022 -0.24863 -0.13821 -0.38503 148 14 C 1S -0.03974 -0.08221 -0.02608 0.01661 -0.02081 149 2S 0.07803 0.13416 0.04592 -0.03849 0.02410 150 2PX -0.01918 -0.09773 -0.02480 -0.02286 -0.05101 151 2PY 0.09826 -0.00731 0.14554 0.18420 -0.09568 152 2PZ -0.01745 -0.10327 0.04705 0.09869 -0.07216 153 3S 0.46627 1.18894 0.33683 -0.17508 0.53988 154 3PX -0.14114 -0.32129 -0.11197 -0.00994 -0.06283 155 3PY 0.26952 -0.09381 0.46460 0.55181 -0.30441 156 3PZ -0.03888 -0.32507 0.17314 0.37642 -0.17248 157 4XX -0.00411 -0.00344 -0.00333 -0.00114 0.00046 158 4YY -0.00255 -0.00307 -0.00494 0.00126 -0.00184 159 4ZZ 0.00228 -0.00722 0.00300 0.00412 -0.00073 160 4XY -0.00169 -0.00774 0.00469 0.01025 0.00731 161 4XZ 0.00289 -0.00119 0.00279 0.00672 0.00469 162 4YZ -0.00278 -0.00511 -0.00104 0.00794 0.00264 163 15 H 1S -0.02012 -0.02117 -0.03117 -0.03974 -0.03619 164 2S -0.57073 -0.58864 -0.73362 -0.66136 0.03348 165 16 H 1S -0.01768 -0.06277 0.00238 0.05680 0.01283 166 2S -0.13163 -1.04844 0.27598 0.89506 -0.59356 167 17 C 1S -0.06216 -0.02598 -0.05361 0.01671 0.05715 168 2S 0.11801 0.04957 0.07766 -0.03505 -0.08529 169 2PX -0.04379 -0.13779 -0.02800 -0.17628 0.00663 170 2PY 0.06895 0.00912 0.08375 -0.00336 -0.05892 171 2PZ 0.05276 -0.07264 0.05636 -0.15259 -0.00912 172 3S 0.80418 0.25862 0.77489 -0.26072 -0.97379 173 3PX -0.12405 -0.41236 0.01939 -0.53410 0.03212 174 3PY 0.29168 0.08704 0.24504 -0.05814 -0.06781 175 3PZ 0.14159 -0.24099 0.19094 -0.47774 -0.01124 176 4XX -0.00322 -0.00379 -0.00110 -0.00228 0.00194 177 4YY -0.00432 -0.00130 -0.00368 0.00101 0.00485 178 4ZZ -0.00260 0.00149 -0.00360 0.00544 0.00394 179 4XY -0.00490 -0.00025 -0.01142 0.01260 0.00098 180 4XZ -0.00192 -0.00350 -0.00188 0.00531 0.00131 181 4YZ 0.00363 0.00258 -0.00507 0.01147 0.00277 182 18 H 1S -0.02747 -0.01270 -0.06247 0.07040 0.03787 183 2S -0.60699 0.24347 -0.70948 0.99934 0.51679 184 19 H 1S -0.02691 -0.01769 0.00010 -0.05109 0.02229 185 2S -0.57218 -0.66206 -0.38926 -0.73237 0.50187 56 57 58 59 60 V V V V V Eigenvalues -- 0.15893 0.17658 0.19314 0.19738 0.21346 1 1 S 1S 0.01264 -0.00356 -0.00297 -0.00523 0.00101 2 2S -0.03860 0.01330 0.00481 0.00692 0.00157 3 2PX 0.00508 0.00888 0.01118 0.00165 0.00900 4 2PY -0.01820 -0.00136 0.01864 0.00261 -0.00873 5 2PZ -0.00408 -0.01078 0.02496 0.01004 -0.02191 6 3S 0.21111 -0.05014 -0.05998 -0.11782 0.03300 7 3PX -0.01513 -0.02581 -0.03758 0.00213 -0.02401 8 3PY 0.05725 -0.00006 -0.06172 -0.00423 0.02439 9 3PZ 0.02259 0.02306 -0.09208 -0.03356 0.05595 10 4S 0.05114 -0.07672 0.02273 0.11715 -0.07700 11 4PX -0.10696 0.03527 0.07093 -0.08876 -0.06112 12 4PY 0.14475 0.07649 -0.00017 -0.16767 0.09860 13 4PZ -0.09088 0.21831 0.05199 0.01868 0.32032 14 5XX 0.02408 -0.04039 0.00329 -0.03591 -0.04450 15 5YY -0.01929 0.01220 -0.00604 0.03771 0.01459 16 5ZZ 0.00474 0.02226 -0.01156 -0.00949 0.03018 17 5XY 0.00165 0.01033 -0.00319 -0.02238 0.00846 18 5XZ -0.00037 0.02872 -0.00719 -0.00715 0.06286 19 5YZ 0.01517 0.01663 -0.02224 0.03540 0.02837 20 2 O 1S 0.01254 -0.00332 -0.00306 -0.00061 -0.00345 21 2S -0.01743 0.00353 0.00676 -0.02145 0.00664 22 2PX 0.00770 0.00543 -0.00246 0.03694 0.02152 23 2PY 0.06647 -0.03290 -0.00985 -0.02375 -0.01500 24 2PZ -0.01568 -0.03047 0.02666 -0.04790 -0.03557 25 3S -0.14713 0.04292 0.02070 0.07420 0.04617 26 3PX 0.02334 0.00090 -0.01537 0.03530 0.02064 27 3PY 0.07440 -0.04911 -0.01233 -0.01375 -0.04601 28 3PZ -0.02693 -0.03928 0.01591 -0.01193 -0.05914 29 4XX 0.00670 -0.00399 -0.00014 -0.00919 -0.00287 30 4YY 0.00563 -0.00088 0.00084 -0.01218 0.00087 31 4ZZ 0.00516 0.00044 -0.00396 -0.00301 0.00111 32 4XY -0.00067 0.00201 0.00135 -0.00101 0.00377 33 4XZ 0.00055 0.00081 0.00017 -0.00424 0.00305 34 4YZ -0.00230 0.00143 0.00273 0.00229 -0.00139 35 3 O 1S -0.01455 0.02930 -0.01099 0.00131 0.05040 36 2S 0.03055 -0.03501 0.00019 0.00468 -0.05644 37 2PX -0.07520 0.18986 -0.06100 -0.02399 0.25767 38 2PY -0.04982 0.04410 -0.02419 0.00959 0.07763 39 2PZ 0.02921 -0.04321 -0.02647 0.08113 -0.06638 40 3S 0.15182 -0.36069 0.21579 -0.03975 -0.68634 41 3PX -0.11059 0.36734 -0.10958 -0.02507 0.53901 42 3PY -0.04671 0.10741 0.01634 -0.03876 0.14132 43 3PZ 0.07222 -0.07134 0.02927 0.11995 -0.17644 44 4XX -0.00278 0.02300 -0.00594 0.01050 0.02806 45 4YY -0.00061 0.00983 -0.00611 -0.00293 0.02150 46 4ZZ -0.00237 0.00570 -0.00891 0.00102 0.01423 47 4XY 0.00385 0.00629 0.00183 -0.00523 0.01325 48 4XZ 0.00211 0.00316 -0.00337 0.01088 0.00402 49 4YZ 0.00023 -0.00133 -0.00034 -0.00732 -0.00277 50 4 C 1S -0.01493 -0.00536 0.05429 -0.04659 -0.01521 51 2S 0.04978 0.01591 -0.10130 0.01534 0.02688 52 2PX 0.05628 -0.03069 0.03253 -0.00191 -0.07823 53 2PY 0.05368 -0.05163 0.03874 0.12662 0.05324 54 2PZ 0.01972 0.04866 -0.01981 -0.20457 0.04246 55 3S -0.14073 0.32825 -0.61320 0.91488 0.46778 56 3PX 0.14643 0.05880 0.22875 -0.08258 -0.07155 57 3PY -0.06947 -0.05455 0.47901 0.42535 0.31872 58 3PZ 0.30105 0.46033 -0.04705 -0.83803 0.40287 59 4XX 0.00299 -0.00497 -0.00031 0.00685 -0.00660 60 4YY -0.00040 0.00965 -0.00520 0.00783 0.00334 61 4ZZ -0.00629 0.00256 0.01686 -0.03212 0.00513 62 4XY -0.00102 0.00317 0.00033 0.00843 0.00549 63 4XZ 0.00369 -0.00488 0.00885 -0.00464 -0.01438 64 4YZ -0.00100 -0.00394 0.00396 0.02433 -0.01282 65 5 C 1S -0.01364 -0.09586 -0.03250 0.05921 -0.07096 66 2S -0.02952 0.16586 0.06055 -0.06851 0.10718 67 2PX -0.14866 0.07559 -0.10946 -0.07068 0.34187 68 2PY -0.08881 0.02594 -0.15543 0.11034 0.04328 69 2PZ -0.06526 -0.17243 0.00294 -0.28827 -0.10361 70 3S 0.70401 1.43019 0.53962 -1.00882 1.11642 71 3PX -0.41288 0.12411 -0.44374 -0.19956 0.72001 72 3PY -0.15753 -0.10580 -0.39484 0.30108 0.30575 73 3PZ -0.03221 -0.45293 -0.11204 -0.93704 -0.36252 74 4XX 0.00557 -0.01848 0.00315 0.00451 -0.01231 75 4YY -0.01314 0.00031 0.00078 -0.00404 -0.00538 76 4ZZ 0.00102 0.00934 -0.01150 0.01357 0.01574 77 4XY -0.00464 0.00190 0.00168 -0.00505 -0.01202 78 4XZ -0.00292 0.00480 -0.00058 -0.00020 0.01046 79 4YZ -0.00606 0.01178 -0.00192 -0.01792 0.00725 80 6 C 1S -0.00669 -0.01025 -0.00578 -0.01397 0.02809 81 2S 0.03251 0.04340 0.01675 -0.01283 -0.02393 82 2PX -0.04159 -0.03996 -0.03337 -0.02364 -0.14361 83 2PY 0.03764 0.10960 0.04736 0.00173 -0.09966 84 2PZ 0.00739 0.15708 -0.09951 0.00810 0.03460 85 3S -0.09139 0.14863 0.21041 0.35641 -0.35590 86 3PX -0.29962 -0.03047 -0.21702 -0.29258 -0.62325 87 3PY 0.17058 0.20999 0.21128 -0.08884 0.09726 88 3PZ -0.10980 0.34835 -0.30819 -0.07960 0.08412 89 4XX -0.00991 0.00930 -0.00001 -0.01549 0.01098 90 4YY 0.00905 0.00258 0.00376 -0.00333 -0.00866 91 4ZZ -0.00126 -0.00821 0.00073 0.01062 0.00764 92 4XY 0.01076 -0.02336 0.00015 0.00294 -0.00060 93 4XZ -0.00336 -0.01105 0.00474 -0.01540 0.00868 94 4YZ 0.00310 -0.00683 0.00254 0.00956 0.00725 95 7 C 1S 0.00679 0.01905 0.00273 -0.00656 -0.02084 96 2S -0.00356 -0.02954 -0.01168 -0.02033 0.04283 97 2PX -0.01621 0.15996 -0.01209 -0.01965 0.07361 98 2PY 0.02471 0.07619 -0.10119 -0.00345 -0.02353 99 2PZ -0.08726 0.06003 0.02816 -0.01230 -0.11930 100 3S 0.02028 -0.29179 -0.20157 0.22390 0.33588 101 3PX -0.06201 0.23279 0.07656 -0.09633 0.42303 102 3PY -0.07624 0.14771 -0.41835 -0.19140 -0.48031 103 3PZ -0.32506 0.14086 0.03244 0.01152 -0.10890 104 4XX 0.00088 0.00509 -0.00234 0.01633 0.01034 105 4YY -0.00374 -0.00040 -0.00308 -0.01463 0.00341 106 4ZZ 0.00949 0.00153 -0.00137 -0.00668 -0.01096 107 4XY 0.00241 0.01524 -0.00197 0.01378 -0.01157 108 4XZ 0.00727 0.00792 -0.00427 0.00128 -0.00092 109 4YZ -0.00245 0.01230 -0.00136 -0.00403 -0.01423 110 8 C 1S -0.05111 0.03443 0.02697 0.06040 0.00430 111 2S 0.06604 -0.04337 -0.04512 -0.04701 0.03556 112 2PX -0.04345 -0.01281 -0.04128 0.07108 -0.07828 113 2PY -0.00366 -0.05401 -0.06756 0.26207 0.05889 114 2PZ 0.15726 -0.04078 -0.14090 -0.11880 0.10484 115 3S 0.77318 -0.63635 -0.43968 -1.23552 -0.31530 116 3PX 0.03553 -0.01015 -0.20729 0.34444 0.19339 117 3PY 0.09548 -0.06021 -0.46778 1.11637 -0.01297 118 3PZ 0.54380 -0.15449 -0.40565 -0.24697 0.40765 119 4XX -0.00675 -0.00130 0.00439 0.00060 0.00260 120 4YY -0.00664 0.01346 0.00130 0.02175 -0.00460 121 4ZZ 0.00361 -0.00781 -0.00175 -0.00986 0.00386 122 4XY 0.00302 -0.00730 0.00301 0.01051 -0.00031 123 4XZ -0.00421 -0.00185 0.00442 -0.00624 0.00955 124 4YZ 0.00512 -0.00871 0.00287 -0.01262 -0.00878 125 9 C 1S 0.08196 0.00398 -0.03812 -0.06371 0.02130 126 2S -0.10072 0.00345 0.08114 0.04777 -0.02160 127 2PX -0.04595 0.01397 -0.03470 0.03476 0.09791 128 2PY 0.04237 0.08796 -0.07425 0.21653 -0.00508 129 2PZ -0.23860 -0.02181 0.06927 -0.09836 0.05208 130 3S -1.47075 -0.31736 0.27243 1.31730 -0.49822 131 3PX -0.21154 0.13030 0.03805 0.17597 0.28676 132 3PY 0.15277 0.40524 -0.35270 0.91508 0.08831 133 3PZ -0.81953 -0.01485 0.56278 -0.31550 0.26819 134 4XX -0.00241 0.00420 -0.00164 0.00192 0.00862 135 4YY 0.01539 -0.00267 -0.00574 -0.03295 0.00196 136 4ZZ 0.00242 -0.00316 -0.00209 0.01637 -0.00277 137 4XY 0.00101 0.00374 -0.00620 -0.01367 0.00094 138 4XZ 0.00212 -0.00213 -0.00670 0.00813 0.00798 139 4YZ 0.00558 -0.00136 -0.00971 0.00835 0.00126 140 10 H 1S -0.01036 0.03970 0.01309 0.04199 0.03535 141 2S 0.01539 -0.20910 0.80768 0.34985 0.09775 142 11 H 1S -0.03250 0.01594 -0.06309 -0.03713 0.01484 143 2S -0.65775 -0.94753 -0.87649 -0.33856 -0.17928 144 12 H 1S -0.01716 -0.03926 0.06781 -0.02330 -0.02325 145 2S -0.76699 0.34201 0.98279 -0.16723 -0.38288 146 13 H 1S 0.04401 -0.01656 -0.03074 0.04282 -0.01373 147 2S 1.66017 0.20435 -0.83940 0.24388 -0.19016 148 14 C 1S 0.04879 -0.00631 0.06686 0.02039 0.03228 149 2S -0.07277 0.02257 -0.07374 -0.04869 -0.02118 150 2PX 0.03585 -0.01475 0.11343 -0.06227 0.14923 151 2PY -0.03235 0.15427 0.01054 0.03630 -0.11346 152 2PZ -0.00790 0.08881 0.08419 -0.02790 -0.00462 153 3S -0.83434 0.11313 -1.32367 -0.37452 -0.92658 154 3PX 0.00187 -0.04492 -0.03228 -0.23497 0.22371 155 3PY -0.12346 0.57115 0.04324 0.13634 -0.31188 156 3PZ -0.08635 0.21232 0.14371 -0.12902 -0.26021 157 4XX 0.00334 -0.00549 0.00854 0.00302 -0.00732 158 4YY 0.00410 -0.00971 0.00399 -0.00513 0.00291 159 4ZZ 0.00193 0.01642 -0.00123 0.00249 0.00814 160 4XY -0.00007 0.01934 -0.00099 -0.00593 -0.01183 161 4XZ 0.00300 0.01377 -0.00294 -0.00126 -0.00322 162 4YZ -0.00112 0.00597 0.00007 -0.00064 -0.00116 163 15 H 1S 0.02526 -0.09752 0.04092 0.01379 0.04914 164 2S 0.52783 -0.85719 0.56032 -0.06016 0.95397 165 16 H 1S 0.02285 0.09179 0.03094 -0.01329 0.00280 166 2S 0.24915 0.71224 0.80534 0.02516 0.07040 167 17 C 1S -0.01746 0.02581 -0.07023 -0.00332 -0.02075 168 2S 0.01967 -0.04526 0.08102 -0.01919 0.02398 169 2PX 0.04952 0.11388 0.03215 -0.07151 -0.13556 170 2PY 0.05634 -0.05905 0.13699 0.09095 0.04690 171 2PZ 0.08878 0.11806 0.04070 0.00202 -0.09061 172 3S 0.41382 -0.41197 1.38219 0.28867 0.66602 173 3PX 0.15158 0.36508 0.14038 -0.10338 -0.58694 174 3PY 0.10482 -0.16731 0.04421 0.16071 -0.08100 175 3PZ 0.29013 0.33132 0.05335 -0.06611 -0.38010 176 4XX -0.00387 0.00940 -0.00533 0.00504 -0.00136 177 4YY -0.00071 -0.00421 -0.00142 0.00167 -0.00224 178 4ZZ 0.00298 -0.00189 -0.00453 -0.00689 0.00200 179 4XY 0.00336 -0.01698 0.00440 -0.00297 0.00707 180 4XZ -0.00088 0.00136 0.00141 -0.00179 -0.00387 181 4YZ 0.00926 -0.00860 -0.00103 0.00093 0.01684 182 18 H 1S 0.01419 -0.04534 -0.03560 -0.01862 0.04401 183 2S -0.53425 -0.32537 -0.86278 -0.10000 0.48939 184 19 H 1S -0.03774 0.07882 -0.03950 0.00024 -0.06886 185 2S 0.00039 0.93630 -0.54252 -0.35647 -0.99300 61 62 63 64 65 V V V V V Eigenvalues -- 0.25208 0.25856 0.30007 0.32287 0.33293 1 1 S 1S -0.00147 -0.00150 -0.04042 0.00634 -0.00701 2 2S -0.01219 0.00955 0.05122 0.01032 0.01949 3 2PX 0.00299 -0.02051 0.16822 -0.01665 0.06662 4 2PY 0.00874 0.01094 -0.08038 0.01597 -0.01514 5 2PZ 0.05432 -0.01589 -0.04691 -0.03977 -0.01369 6 3S -0.07820 -0.01087 -0.93094 0.20127 -0.12653 7 3PX 0.00008 0.07519 -0.68760 0.05369 -0.28230 8 3PY -0.02860 -0.04379 0.34367 -0.06860 0.05653 9 3PZ -0.19949 0.05414 0.19288 0.15834 0.04398 10 4S 0.33042 -0.07135 1.24795 -0.54181 0.03474 11 4PX -0.23370 -0.02523 0.68645 0.25133 0.53282 12 4PY 0.19387 -0.04689 -0.50374 0.17532 0.15210 13 4PZ 0.03501 0.13418 -0.33036 -0.20589 0.08908 14 5XX -0.03363 -0.01026 0.05919 0.02981 0.06054 15 5YY -0.03639 0.01525 -0.02460 0.02140 -0.01558 16 5ZZ 0.06261 -0.00039 -0.08072 -0.02526 -0.05505 17 5XY -0.00183 0.01704 -0.08045 0.04171 0.02630 18 5XZ 0.02610 0.01363 -0.00262 -0.04490 0.03842 19 5YZ -0.02137 -0.00019 -0.01757 -0.00597 -0.02522 20 2 O 1S 0.01178 -0.00734 0.00794 -0.00383 0.00082 21 2S -0.01130 0.00899 -0.04773 0.04122 0.01189 22 2PX 0.03439 -0.01335 0.05860 -0.07191 -0.03670 23 2PY 0.03865 -0.03194 -0.04405 -0.01626 -0.00964 24 2PZ 0.05680 -0.01599 0.02334 0.00992 0.01634 25 3S -0.18587 0.09816 -0.07959 -0.02954 -0.06739 26 3PX 0.04393 -0.00845 -0.04902 -0.04532 -0.07119 27 3PY 0.06442 -0.04929 0.05722 -0.03490 -0.01390 28 3PZ -0.01163 -0.00786 0.03589 0.02138 -0.02278 29 4XX 0.00824 -0.00728 0.00534 0.01057 0.01297 30 4YY 0.00889 -0.00331 -0.03446 0.00957 0.00075 31 4ZZ -0.00102 -0.00073 -0.00317 0.01228 0.00023 32 4XY 0.00126 -0.00159 0.02012 -0.00513 0.01007 33 4XZ 0.00387 0.00255 -0.01493 0.00115 0.00195 34 4YZ 0.00928 0.00021 0.00373 -0.00565 -0.00225 35 3 O 1S -0.00028 0.00664 0.01049 -0.00133 0.01049 36 2S -0.00684 -0.00128 -0.04603 0.01133 -0.07128 37 2PX -0.07257 0.02952 -0.00271 0.04087 0.09027 38 2PY -0.01736 0.09258 0.02994 0.01629 -0.00141 39 2PZ 0.04181 -0.00007 0.01871 -0.01140 0.00442 40 3S 0.03901 -0.15705 -0.15285 -0.05253 0.01058 41 3PX -0.12515 0.06483 -0.19112 0.12258 0.14216 42 3PY 0.03531 0.16583 0.01153 0.03068 0.06955 43 3PZ 0.00642 -0.06007 -0.04677 -0.02074 0.08173 44 4XX -0.00341 0.00132 -0.02634 0.00005 -0.02112 45 4YY 0.01231 0.01351 0.00469 -0.01198 -0.00703 46 4ZZ -0.01443 -0.00489 -0.00317 0.01406 -0.01102 47 4XY 0.00676 0.00062 -0.02332 -0.00272 -0.00167 48 4XZ -0.00059 0.00526 -0.02197 0.00980 0.00875 49 4YZ -0.00539 0.00242 -0.00075 0.00591 0.00926 50 4 C 1S 0.00780 0.04406 0.00177 -0.01416 -0.00063 51 2S -0.03557 -0.04971 -0.06178 0.05412 -0.01629 52 2PX 0.07241 -0.09729 -0.02697 0.00438 -0.10771 53 2PY 0.06426 -0.07926 0.02177 0.00737 0.06116 54 2PZ 0.02409 0.03573 0.10325 -0.04131 -0.20966 55 3S -0.28823 -1.46900 0.29228 0.31219 -0.45627 56 3PX 0.06059 -0.68537 0.22279 -0.01881 -0.64320 57 3PY 0.21764 -0.80780 0.03207 0.16959 0.25751 58 3PZ 0.01918 -0.19146 0.66327 0.00053 -1.69537 59 4XX -0.00068 0.00524 -0.00203 0.00418 0.00504 60 4YY -0.01645 -0.00814 -0.00595 0.00179 -0.01341 61 4ZZ 0.00903 -0.00014 -0.00197 0.00055 0.00278 62 4XY -0.01029 -0.00410 -0.00341 0.00687 -0.00047 63 4XZ -0.00241 -0.00377 -0.00389 0.00357 0.00072 64 4YZ 0.01142 0.01510 -0.00376 -0.01005 0.02038 65 5 C 1S 0.03911 0.03290 -0.01289 -0.00900 0.04157 66 2S -0.01826 -0.06060 0.00935 0.01725 -0.02452 67 2PX 0.01383 0.13404 -0.02885 -0.01586 0.05046 68 2PY -0.14846 -0.18120 -0.05853 0.09806 0.02797 69 2PZ 0.00262 -0.05856 0.05453 0.02792 -0.24339 70 3S -0.94792 -0.41181 0.28014 0.05248 -1.68082 71 3PX 0.27819 0.79627 0.06934 0.38814 0.44171 72 3PY -0.76064 -0.82104 -0.22849 0.55751 0.00132 73 3PZ 0.00675 0.20603 0.36946 0.21174 -1.10241 74 4XX 0.00854 -0.01172 -0.00188 -0.00067 -0.00906 75 4YY 0.00932 0.03314 -0.00124 -0.01280 0.00417 76 4ZZ -0.01059 -0.01262 -0.00495 0.00985 0.00226 77 4XY -0.01237 -0.00602 0.00577 0.00383 -0.01087 78 4XZ -0.01175 -0.01918 0.00624 0.00300 -0.00277 79 4YZ -0.00598 0.01096 0.00878 -0.00788 -0.01756 80 6 C 1S -0.04559 -0.13830 -0.01897 -0.04739 0.02358 81 2S -0.01091 0.16280 -0.00268 0.09299 -0.05070 82 2PX 0.00388 0.09709 -0.04911 -0.22572 -0.02125 83 2PY -0.17389 -0.07012 0.02368 0.13238 -0.17862 84 2PZ -0.12996 0.02436 -0.00469 -0.03786 0.02262 85 3S 1.53865 2.93156 0.51211 2.32256 -0.90632 86 3PX -0.04032 -0.09194 -0.25115 -1.43818 0.63376 87 3PY -0.75103 -0.18699 0.02284 0.42227 -1.37625 88 3PZ -0.55870 -0.15048 -0.29176 -0.50373 0.05916 89 4XX 0.00008 0.00185 -0.00714 0.00748 -0.00615 90 4YY -0.00926 -0.01236 -0.00091 0.00712 -0.00689 91 4ZZ -0.00507 -0.00807 -0.00666 0.00249 0.00350 92 4XY 0.00339 -0.00539 -0.00379 -0.00432 0.00320 93 4XZ 0.00076 -0.00409 -0.00448 0.00531 -0.01335 94 4YZ -0.00851 -0.01441 -0.00365 0.00755 0.01162 95 7 C 1S -0.08931 0.11191 -0.00616 -0.03479 -0.02161 96 2S 0.06027 -0.13996 -0.10720 0.08910 0.02011 97 2PX 0.17942 0.00657 -0.08771 -0.10574 -0.07925 98 2PY -0.00222 0.09914 0.05680 0.23527 0.05273 99 2PZ 0.12747 0.06256 0.06556 -0.01670 -0.12812 100 3S 2.52679 -2.14706 0.37800 1.83866 0.76335 101 3PX 0.76905 0.14654 0.13266 -0.29425 -0.83779 102 3PY 0.10165 -0.12128 -0.13637 1.80699 0.65412 103 3PZ 0.66193 0.12419 -0.07507 0.27816 -0.82759 104 4XX -0.00757 0.00072 -0.01031 0.00342 -0.01439 105 4YY 0.00320 0.00995 -0.02230 0.00822 0.01842 106 4ZZ -0.00421 0.00793 -0.00488 0.00129 -0.01026 107 4XY -0.00524 0.00306 0.00420 -0.00321 -0.00789 108 4XZ -0.01102 0.01048 0.00052 0.01042 -0.00030 109 4YZ -0.00290 0.00611 -0.00146 0.00301 -0.00278 110 8 C 1S 0.04168 -0.03315 0.01466 -0.02846 -0.05923 111 2S 0.02484 0.08596 -0.04505 -0.00545 0.01737 112 2PX 0.18857 -0.10873 -0.02785 -0.09514 -0.11222 113 2PY -0.07977 0.02116 0.03970 -0.00452 -0.09530 114 2PZ 0.05580 -0.04529 0.07980 -0.05935 0.14023 115 3S -1.16681 0.24261 -0.32652 0.73137 2.07275 116 3PX 0.93023 -0.28839 -0.01607 -0.59357 -0.66712 117 3PY -0.72975 0.55478 0.34129 -0.79573 -0.61506 118 3PZ 0.65060 -0.05419 -0.01479 -0.62768 0.13258 119 4XX 0.02289 -0.00961 -0.00966 -0.01680 -0.00269 120 4YY -0.00480 0.02239 -0.01168 -0.00031 -0.01293 121 4ZZ -0.00400 -0.01482 0.01485 0.00617 0.00690 122 4XY -0.01355 0.00496 -0.00059 -0.00293 0.01090 123 4XZ 0.00949 -0.01129 -0.01925 -0.01377 0.01496 124 4YZ -0.01541 0.01466 -0.00434 0.00685 0.02325 125 9 C 1S 0.01382 -0.03180 0.01340 0.00826 -0.00075 126 2S -0.05159 0.01046 -0.08642 0.04079 0.00495 127 2PX -0.06648 0.02607 -0.02994 0.05616 -0.06346 128 2PY -0.02419 -0.00202 0.06545 -0.04585 -0.21264 129 2PZ -0.04818 -0.10826 -0.00344 0.05067 -0.00268 130 3S -0.37635 1.29035 -0.27901 -0.62253 0.45813 131 3PX -0.29095 -0.26113 0.34095 0.01971 -0.52508 132 3PY -0.02844 -0.28932 0.53067 -0.32214 -1.74641 133 3PZ -0.10407 -1.04319 0.16633 0.49873 -0.21378 134 4XX 0.01355 -0.00373 0.00503 -0.01229 -0.00682 135 4YY -0.00676 0.00917 -0.00084 -0.00112 0.00467 136 4ZZ -0.01513 -0.00421 -0.01559 0.01183 0.00440 137 4XY 0.00897 0.00155 -0.00091 0.00042 -0.00781 138 4XZ -0.00318 -0.00195 -0.00566 -0.00277 0.00381 139 4YZ 0.01187 -0.01492 0.00883 -0.00011 -0.02069 140 10 H 1S -0.05558 -0.04367 -0.00807 0.01777 -0.07665 141 2S 0.35334 -0.44428 -0.01890 0.00642 0.30474 142 11 H 1S -0.05726 -0.00243 0.04086 0.03075 -0.10904 143 2S -0.07419 0.04471 0.04894 0.58030 -0.32044 144 12 H 1S -0.05772 -0.00354 -0.05764 0.03873 0.12970 145 2S -0.22209 -0.15591 -0.10432 0.82949 -0.02399 146 13 H 1S -0.05990 0.02254 -0.06858 0.04044 0.08967 147 2S 0.28211 0.47618 0.08235 -0.35671 -0.26588 148 14 C 1S 0.02579 0.04749 0.01318 0.05726 -0.01595 149 2S -0.01385 -0.04231 0.00300 0.03456 -0.02945 150 2PX 0.01505 -0.02622 0.00973 -0.02125 -0.04058 151 2PY 0.16366 -0.02883 -0.02418 -0.01085 0.07806 152 2PZ 0.10299 -0.04492 -0.02100 -0.01628 0.05776 153 3S -0.77956 -1.15420 -0.49394 -2.06130 0.96217 154 3PX -0.42706 -0.79270 -0.34339 -1.63579 0.67163 155 3PY 0.84712 0.24628 0.04207 0.10900 0.50302 156 3PZ 0.27638 -0.39149 -0.15790 -1.13280 0.57086 157 4XX 0.00785 0.01048 0.00626 0.02020 -0.00924 158 4YY -0.00057 -0.01311 -0.00260 -0.01586 0.00481 159 4ZZ -0.00678 0.00525 0.00170 0.00936 0.00254 160 4XY -0.01265 0.00645 0.00298 -0.00129 -0.01506 161 4XZ -0.00705 0.00594 0.00543 0.01034 -0.00244 162 4YZ -0.01298 -0.01224 -0.00415 -0.01644 0.00101 163 15 H 1S 0.03438 -0.03724 -0.01273 -0.03222 0.04872 164 2S -0.64823 0.02283 0.05363 0.03488 -0.47786 165 16 H 1S -0.03848 0.01206 -0.00031 -0.06682 -0.00700 166 2S 0.93713 0.04811 -0.07020 -0.54084 0.58044 167 17 C 1S 0.04795 -0.03424 0.00749 0.05222 0.01039 168 2S -0.04403 0.04465 -0.00797 0.05357 0.05410 169 2PX -0.11220 -0.07954 -0.00505 0.01576 0.09834 170 2PY -0.04203 -0.08188 0.01514 0.01319 -0.08038 171 2PZ -0.08394 -0.08057 -0.02058 0.00559 0.03156 172 3S -1.18688 0.76762 -0.02652 -2.14024 -0.84585 173 3PX -0.74680 -0.06715 -0.09089 -0.19569 0.28028 174 3PY 0.58312 -0.72431 0.08593 1.83103 0.48123 175 3PZ -0.40324 -0.35519 -0.02233 0.61157 0.57823 176 4XX -0.00377 0.00916 -0.00294 -0.00844 -0.00717 177 4YY 0.00722 -0.01053 0.01135 0.02384 0.00383 178 4ZZ -0.00284 -0.00027 -0.00051 0.00020 0.00868 179 4XY -0.01160 -0.00822 0.00000 -0.00495 0.00850 180 4XZ -0.01442 0.01117 0.00147 -0.01669 -0.00619 181 4YZ -0.00825 -0.00909 -0.00222 0.00435 0.01417 182 18 H 1S -0.02739 -0.02222 -0.00105 -0.06589 0.03538 183 2S 0.92118 0.38663 0.04935 -0.48926 -0.39524 184 19 H 1S 0.02119 0.04824 0.00287 -0.02278 -0.05626 185 2S -0.42749 -0.23112 -0.08627 0.02358 0.52229 66 67 68 69 70 V V V V V Eigenvalues -- 0.35193 0.36611 0.38936 0.40492 0.41497 1 1 S 1S 0.00517 -0.00002 -0.02727 0.00205 0.02060 2 2S 0.00990 -0.01803 -0.02653 0.04156 -0.00349 3 2PX 0.11238 -0.03057 -0.01473 0.07839 0.05289 4 2PY 0.06601 -0.02621 0.09069 0.12869 -0.12811 5 2PZ 0.20640 -0.03179 0.02206 -0.09475 -0.00759 6 3S 0.18033 -0.05570 -0.82354 0.17837 0.54542 7 3PX -0.46630 0.14741 0.10649 -0.33874 -0.23001 8 3PY -0.27628 0.11342 -0.35455 -0.52120 0.50955 9 3PZ -0.85736 0.12177 -0.10052 0.39039 0.05400 10 4S -0.48833 0.26185 2.09442 -0.89541 -1.06237 11 4PX 0.75053 -0.45792 -0.95424 0.93173 0.43782 12 4PY 0.33197 -0.36824 0.83443 0.72152 -0.74387 13 4PZ 1.35918 -0.10481 0.09162 -0.71692 -0.29117 14 5XX 0.02831 -0.06836 -0.12579 -0.01753 -0.01178 15 5YY -0.05105 0.04111 0.03248 0.08172 -0.04351 16 5ZZ 0.00688 0.01159 0.03823 -0.01515 0.09081 17 5XY -0.03194 -0.05563 0.03541 0.06922 -0.05337 18 5XZ 0.07689 0.02042 0.03375 -0.05783 0.01015 19 5YZ -0.03042 0.05777 -0.09000 -0.07485 0.08160 20 2 O 1S -0.01131 0.00021 0.03596 -0.00382 -0.00907 21 2S -0.01020 -0.03272 -0.02710 0.08616 -0.03403 22 2PX -0.00178 0.07416 0.07273 -0.11374 0.00974 23 2PY 0.02496 0.01023 -0.13259 -0.14640 0.16724 24 2PZ -0.05127 -0.05311 0.08713 0.08189 -0.05127 25 3S 0.25353 0.10741 -0.76747 -0.24248 0.41940 26 3PX -0.07846 0.07593 0.12632 -0.10762 -0.02973 27 3PY -0.11553 0.01343 0.15637 -0.08570 0.01204 28 3PZ -0.11990 0.01142 -0.09336 0.07807 0.05697 29 4XX -0.01318 -0.01454 0.03128 0.03114 -0.03015 30 4YY 0.01593 -0.01744 -0.01280 -0.00077 0.00889 31 4ZZ -0.03589 0.00374 0.01389 0.02765 -0.00884 32 4XY 0.02291 0.00018 -0.00614 0.00076 0.01281 33 4XZ -0.00113 -0.00483 0.01038 -0.00496 -0.01266 34 4YZ 0.01470 -0.00470 0.04059 0.01079 -0.02642 35 3 O 1S -0.01446 0.01945 0.02779 -0.01636 -0.00428 36 2S -0.05009 -0.00961 -0.05882 -0.01669 0.02239 37 2PX -0.08582 0.03217 0.02030 -0.01196 0.00715 38 2PY -0.13178 0.07247 -0.11722 -0.03663 -0.03383 39 2PZ -0.15023 -0.04334 0.02510 -0.05107 0.01006 40 3S 0.53064 -0.34573 -0.42339 0.49797 0.03666 41 3PX 0.13476 0.01019 0.01217 0.02104 0.02527 42 3PY 0.13186 -0.00173 -0.29190 -0.01632 0.00357 43 3PZ -0.07861 -0.16096 -0.13722 0.20315 -0.02217 44 4XX -0.02339 0.02884 0.00742 -0.00794 0.02769 45 4YY -0.00727 0.00779 -0.01008 -0.03556 0.00009 46 4ZZ -0.04149 -0.00155 0.00292 0.00886 -0.01471 47 4XY 0.03683 -0.00200 -0.01555 0.01080 0.00365 48 4XZ 0.02449 -0.02226 -0.00263 0.01175 -0.01409 49 4YZ 0.02878 -0.01298 -0.02204 0.01943 0.00935 50 4 C 1S 0.01581 0.08364 0.03097 0.00855 0.03476 51 2S 0.05153 -0.07970 -0.05779 0.14017 0.08410 52 2PX 0.01034 -0.08661 -0.01750 0.05980 -0.00410 53 2PY -0.04819 -0.17444 -0.10390 -0.02475 -0.02778 54 2PZ -0.01491 0.11860 -0.12231 0.05077 -0.08000 55 3S -0.65896 -2.47480 -1.75185 -0.30641 -2.01034 56 3PX -0.12468 -0.67256 -0.60294 -0.04135 -0.62489 57 3PY -0.53592 -1.81317 -0.94861 -0.22029 -1.29514 58 3PZ 0.20853 0.24481 -0.95557 -0.44648 -0.98741 59 4XX -0.00379 0.00321 0.00082 -0.00484 0.00671 60 4YY 0.01666 -0.00101 -0.01231 0.02604 0.01363 61 4ZZ 0.00052 0.00105 -0.00500 0.01086 -0.00999 62 4XY -0.00218 0.01364 -0.00662 0.01180 0.00582 63 4XZ 0.00295 -0.00561 0.00203 0.01287 0.00734 64 4YZ 0.00065 0.00060 -0.00658 0.00840 0.02119 65 5 C 1S -0.02103 -0.05974 -0.03516 -0.00836 -0.04090 66 2S 0.00721 0.12932 0.04126 0.00774 0.05517 67 2PX -0.04091 0.17019 -0.02681 -0.00703 -0.00606 68 2PY 0.08612 0.01134 0.21999 -0.02539 0.27564 69 2PZ 0.09035 0.08211 0.04248 -0.04250 -0.11433 70 3S 0.63222 0.81643 0.85578 0.14153 1.26229 71 3PX 0.22435 0.36281 -0.19037 -0.46398 -0.25572 72 3PY 0.12747 -0.45189 0.98781 0.04900 1.06238 73 3PZ 0.44667 1.04131 0.30035 -0.32943 0.70918 74 4XX -0.00150 0.00761 0.00817 -0.01595 -0.00770 75 4YY -0.00480 0.01582 -0.00675 0.00775 0.00835 76 4ZZ 0.00827 -0.02522 0.00029 -0.00114 0.00309 77 4XY -0.01060 0.00761 0.01420 0.00256 0.01947 78 4XZ -0.01514 0.00507 0.00107 -0.00267 0.00192 79 4YZ 0.00052 0.00173 -0.01196 0.01427 -0.00476 80 6 C 1S 0.00197 0.05254 0.02034 -0.01591 0.02936 81 2S 0.10718 -0.03529 -0.21881 0.10571 0.10797 82 2PX 0.04035 0.02099 -0.20006 0.17958 -0.10611 83 2PY 0.06908 -0.08075 0.08342 0.11385 0.20103 84 2PZ -0.06289 -0.08220 0.09781 0.18111 -0.00180 85 3S -0.37033 -1.61476 0.46420 -0.14768 -0.28901 86 3PX -0.09090 0.73549 -1.14409 1.87872 -1.54298 87 3PY 0.10528 -0.93067 1.21702 0.77135 1.22716 88 3PZ -0.01070 -0.10433 -0.02691 1.74924 -0.34711 89 4XX -0.00686 0.00424 -0.00258 0.00985 0.03418 90 4YY 0.02030 0.00407 -0.00379 -0.00160 0.00187 91 4ZZ 0.00121 -0.00472 -0.02206 0.01041 0.00308 92 4XY -0.01288 -0.00196 -0.00267 -0.00293 -0.02226 93 4XZ 0.00439 0.00134 -0.01882 0.00773 0.02777 94 4YZ 0.00644 0.00996 -0.00040 -0.00436 0.01020 95 7 C 1S -0.00336 -0.06067 0.00380 0.00873 -0.03394 96 2S 0.02338 0.04812 -0.13398 0.08080 0.17984 97 2PX -0.08926 -0.13740 0.11753 0.17549 0.15418 98 2PY 0.07195 0.08204 -0.04619 0.05895 -0.09271 99 2PZ 0.01489 -0.06244 0.01226 0.16637 0.01542 100 3S 0.23657 2.18247 0.17112 -0.32415 0.00618 101 3PX -0.13625 -1.10220 0.79290 0.73458 1.40697 102 3PY 0.13734 1.06339 -0.52653 1.99133 -1.90862 103 3PZ -0.15010 -0.24413 0.45662 1.44768 0.10083 104 4XX 0.00981 0.00096 0.01964 -0.01091 -0.01700 105 4YY -0.00529 0.00452 -0.03228 0.01878 0.01648 106 4ZZ -0.00532 -0.00317 0.00957 0.00817 0.00742 107 4XY -0.00219 -0.00204 0.00340 0.01554 0.00870 108 4XZ 0.01959 -0.01232 -0.01810 0.00970 0.01504 109 4YZ 0.00221 -0.00254 -0.02326 0.01599 0.00144 110 8 C 1S -0.01338 0.05345 0.02695 0.01029 0.03911 111 2S 0.10798 -0.05600 0.11539 -0.15383 -0.11096 112 2PX -0.00121 -0.05742 -0.00237 0.05703 0.03503 113 2PY 0.12192 0.04699 -0.10843 0.06336 -0.12817 114 2PZ -0.00225 -0.00068 0.04976 0.16313 0.18329 115 3S -0.19336 -0.88891 -1.15708 0.33653 -0.99629 116 3PX -0.11312 0.12701 0.45444 0.24092 1.27998 117 3PY 0.34315 1.20622 -0.37950 -0.75436 0.02138 118 3PZ -0.11003 -0.15085 1.19485 -0.62342 0.49584 119 4XX 0.00078 0.00087 0.01463 -0.00439 0.01683 120 4YY 0.01889 0.01556 0.02418 -0.00668 -0.02535 121 4ZZ -0.01357 -0.01469 -0.01724 -0.01020 -0.01197 122 4XY 0.01097 0.02112 -0.00610 -0.01904 -0.00122 123 4XZ 0.01069 0.00015 0.00552 -0.01235 -0.00266 124 4YZ -0.00559 -0.00584 0.00274 0.00686 0.00122 125 9 C 1S -0.01693 -0.07636 -0.02324 -0.02628 -0.03516 126 2S 0.02666 0.03566 -0.11241 0.15230 0.04804 127 2PX -0.07721 0.04201 -0.06743 -0.01746 -0.14305 128 2PY 0.09660 0.13671 -0.06351 -0.05998 -0.06387 129 2PZ -0.01990 -0.17711 0.00811 -0.05014 -0.08738 130 3S 0.54827 2.53092 1.54350 0.10345 2.01760 131 3PX -0.01881 -0.45891 -0.90367 -0.20555 -0.78856 132 3PY 0.15701 0.47556 -0.96654 0.03343 -0.47741 133 3PZ -0.38033 -1.72659 -1.27692 -0.24942 -1.19762 134 4XX 0.00256 0.00073 -0.00985 -0.00802 0.00371 135 4YY 0.00187 0.00840 0.00337 -0.00202 0.01199 136 4ZZ -0.00201 -0.01229 -0.01256 0.01036 0.00466 137 4XY -0.00160 -0.00237 0.00150 0.00703 0.00133 138 4XZ -0.00046 -0.00898 -0.01825 0.01760 0.00500 139 4YZ -0.00346 -0.00927 -0.01062 0.01276 -0.00567 140 10 H 1S 0.02955 0.03058 -0.02659 0.08316 0.01544 141 2S -0.31112 -0.94351 -0.34385 -0.09564 -0.48066 142 11 H 1S -0.01914 -0.04622 -0.02248 0.01617 0.01158 143 2S 0.32093 0.12986 0.33618 -0.34226 0.37396 144 12 H 1S -0.01606 0.06265 -0.04695 0.00276 0.03098 145 2S -0.31943 0.04342 -0.41144 0.37659 -0.25946 146 13 H 1S -0.01399 -0.05709 -0.02502 0.07978 0.00642 147 2S 0.20452 0.85224 0.40678 0.19669 0.39420 148 14 C 1S -0.00039 -0.01770 0.00922 -0.01496 0.00283 149 2S 0.03298 0.02619 -0.03778 -0.01354 0.15576 150 2PX 0.02446 0.11081 -0.05019 0.08683 0.17426 151 2PY -0.02956 0.02629 -0.06687 -0.02238 -0.01927 152 2PZ -0.02578 -0.00818 -0.04967 -0.00972 0.03898 153 3S -0.01469 0.86655 -0.91363 1.53883 -1.33681 154 3PX -0.02546 0.81875 -0.61003 1.35053 -0.94320 155 3PY -0.13556 0.02809 -0.26275 -0.96803 -0.17707 156 3PZ -0.03557 0.62205 -0.67194 0.35917 -0.69117 157 4XX 0.01146 -0.00544 -0.01421 -0.00990 0.00766 158 4YY 0.00097 0.01770 -0.01295 0.00849 -0.00460 159 4ZZ -0.00200 -0.00413 0.01392 0.00497 0.00756 160 4XY 0.00464 -0.00906 0.01564 0.00898 0.01153 161 4XZ 0.00410 -0.00299 0.01140 0.00023 0.00634 162 4YZ 0.00624 0.00607 -0.00382 0.01808 -0.00399 163 15 H 1S -0.00629 0.08100 -0.09727 0.05744 -0.06757 164 2S 0.13117 0.09868 0.25165 0.91272 0.17018 165 16 H 1S 0.01924 0.01607 0.01297 0.09523 -0.01611 166 2S -0.14580 0.40245 -0.57050 -0.13703 -0.40378 167 17 C 1S 0.01090 0.03489 -0.00097 0.00246 -0.00677 168 2S 0.01856 -0.01629 -0.18773 0.08041 0.07088 169 2PX 0.01045 -0.01611 -0.10047 -0.07091 0.03686 170 2PY -0.00847 0.07845 0.13486 0.01087 -0.03128 171 2PZ 0.00371 0.04163 0.12081 -0.07632 -0.10636 172 3S -0.25266 -1.40357 0.67993 -1.31498 1.28872 173 3PX -0.01841 0.00399 -0.08912 -0.87286 -0.25663 174 3PY 0.29474 1.56558 -0.40300 1.07226 -1.07384 175 3PZ 0.12431 0.50809 -0.31651 -0.31179 -0.38738 176 4XX 0.00014 -0.00785 -0.00786 0.00718 0.01696 177 4YY 0.01271 0.01455 -0.02119 0.00151 0.00815 178 4ZZ -0.00323 -0.00985 -0.00570 -0.00755 0.00574 179 4XY 0.00427 0.00513 0.00146 -0.02066 -0.02498 180 4XZ -0.00028 -0.02010 -0.00872 -0.01003 0.01413 181 4YZ 0.00678 0.00541 0.00024 -0.01690 -0.00290 182 18 H 1S 0.01081 -0.05194 -0.02527 -0.10541 0.02610 183 2S -0.09620 -0.59346 0.13066 0.40749 0.54019 184 19 H 1S -0.02233 -0.08883 -0.01379 0.00741 0.12311 185 2S 0.00170 -0.11857 -0.17794 -0.95028 -0.14029 71 72 73 74 75 V V V V V Eigenvalues -- 0.42869 0.47559 0.49049 0.51815 0.53002 1 1 S 1S -0.00095 0.00016 -0.00483 -0.00287 0.01019 2 2S -0.03385 0.00890 -0.00997 -0.00247 0.01108 3 2PX -0.05000 0.01924 -0.06762 -0.01954 0.03298 4 2PY -0.13701 0.00620 -0.02220 0.01524 -0.00980 5 2PZ 0.07881 -0.01015 0.02307 -0.00246 -0.02089 6 3S -0.12326 0.02709 -0.16290 -0.08108 0.31258 7 3PX 0.21896 -0.08596 0.27787 0.06556 -0.15467 8 3PY 0.56190 -0.01709 0.08808 -0.06454 0.03103 9 3PZ -0.32030 0.05272 -0.09812 0.00944 0.09326 10 4S 0.63495 -0.08335 0.51461 0.25171 -0.82947 11 4PX -0.56072 0.09845 -0.44937 -0.03667 0.47504 12 4PY -0.49358 0.05153 0.04673 0.18201 -0.12551 13 4PZ 0.43516 -0.09922 0.23394 0.09965 -0.24691 14 5XX 0.03507 -0.07088 0.16910 0.20123 -0.00540 15 5YY -0.12087 -0.03812 -0.06382 -0.04398 0.01903 16 5ZZ 0.04016 0.13135 -0.11590 -0.17113 0.01031 17 5XY -0.01353 -0.00116 0.03368 0.06355 0.06299 18 5XZ 0.02030 -0.01448 0.03727 -0.01568 -0.00526 19 5YZ 0.02882 -0.00909 -0.10834 -0.08225 0.04065 20 2 O 1S 0.00791 -0.00222 0.00871 0.00207 -0.00897 21 2S -0.04510 0.04870 -0.04984 0.04082 0.02651 22 2PX 0.02287 -0.02607 0.04360 -0.07043 -0.05407 23 2PY 0.16900 0.01498 0.02686 -0.00143 0.03121 24 2PZ -0.01593 0.07652 0.03119 0.01780 -0.01531 25 3S 0.06421 -0.07300 -0.05805 -0.15518 0.15350 26 3PX 0.06283 -0.00624 0.02205 0.01306 -0.05085 27 3PY 0.10684 -0.01163 0.05101 -0.00940 -0.05524 28 3PZ -0.07114 0.00192 -0.06411 -0.02571 0.05126 29 4XX -0.01396 0.00943 0.00624 0.02743 -0.00712 30 4YY 0.02214 0.02142 -0.00756 0.01206 0.00733 31 4ZZ -0.01589 0.01048 -0.02704 0.00486 0.00724 32 4XY -0.00147 0.00259 -0.00894 -0.00777 -0.00210 33 4XZ 0.01016 0.00453 0.01296 0.01021 -0.00328 34 4YZ -0.01065 0.00632 0.00250 -0.00366 -0.01212 35 3 O 1S 0.00319 0.00268 0.00365 -0.00335 0.00685 36 2S -0.01108 -0.02749 -0.00650 0.01085 0.09041 37 2PX 0.03516 0.04166 0.03796 0.04167 -0.13701 38 2PY -0.01272 0.02620 -0.05503 -0.01191 0.09608 39 2PZ 0.06330 -0.00253 -0.01023 -0.07968 0.12273 40 3S -0.05063 0.12495 -0.18462 -0.09314 -0.51536 41 3PX -0.07882 -0.03691 -0.00955 -0.02503 0.23262 42 3PY -0.03448 0.07769 0.00547 0.03561 0.11427 43 3PZ 0.02593 -0.03565 -0.07030 0.02181 -0.07723 44 4XX -0.00875 0.02376 -0.04207 -0.03137 -0.01772 45 4YY 0.01696 -0.00502 0.02753 0.00751 0.04553 46 4ZZ -0.01521 -0.02636 0.00955 0.02142 0.03850 47 4XY -0.01225 0.01592 -0.03295 -0.02345 -0.01006 48 4XZ -0.01810 -0.02191 0.00082 0.00621 0.04492 49 4YZ -0.01225 -0.00369 0.01248 0.02960 0.01891 50 4 C 1S -0.01368 0.01223 0.01735 0.00042 0.00970 51 2S -0.16999 0.07221 0.11591 -0.13293 0.04852 52 2PX -0.04118 0.20918 -0.21387 0.08946 -0.25283 53 2PY 0.01306 0.02831 0.05709 -0.07808 0.10429 54 2PZ -0.06427 0.35473 0.27172 -0.08537 -0.06784 55 3S 0.99762 -0.03763 -0.10905 0.04658 -0.32849 56 3PX 0.22985 -0.33357 0.08266 -0.14370 0.03378 57 3PY 0.64428 -0.18112 -0.13631 -0.04557 -0.25623 58 3PZ -0.46817 -0.33539 -0.34302 0.19510 0.14733 59 4XX 0.00373 0.00486 -0.00962 0.01753 -0.00655 60 4YY -0.02094 -0.00860 0.05213 0.01004 0.00339 61 4ZZ -0.01024 0.01196 -0.00127 -0.05017 0.02023 62 4XY -0.01061 0.01870 0.01376 -0.00367 -0.01782 63 4XZ -0.00033 0.01359 0.01343 -0.00250 0.01338 64 4YZ 0.00488 0.03270 0.02275 0.00052 -0.00170 65 5 C 1S 0.02125 -0.01794 -0.00666 0.00583 0.00746 66 2S -0.00900 0.15968 -0.00796 -0.04793 0.00269 67 2PX -0.04888 0.13226 -0.29778 -0.24467 -0.42830 68 2PY 0.07880 0.22071 0.04492 0.11249 0.10733 69 2PZ -0.04095 -0.08817 -0.01343 -0.09951 0.27990 70 3S -0.84190 -0.36367 -0.14882 -0.16697 -0.02231 71 3PX -0.53924 0.16073 0.22970 0.47990 1.10897 72 3PY -0.24860 -0.36167 -0.25266 -0.42077 -0.37839 73 3PZ -0.94786 0.45695 -0.07292 0.00256 -0.46275 74 4XX -0.00090 0.01322 -0.01574 -0.02460 0.01588 75 4YY 0.00003 0.02796 0.00800 0.00570 0.00738 76 4ZZ -0.00458 -0.04295 -0.00209 0.01323 0.01700 77 4XY 0.01125 -0.01390 0.03071 0.02383 -0.01960 78 4XZ -0.00045 -0.01229 -0.00120 0.01324 -0.04484 79 4YZ 0.00027 0.00839 0.04693 0.03106 -0.02445 80 6 C 1S -0.04035 -0.00600 0.02130 0.02825 0.00257 81 2S -0.07154 -0.06588 0.03886 -0.20780 0.02092 82 2PX 0.12768 0.00662 -0.22363 0.01175 -0.03422 83 2PY 0.20118 -0.14187 -0.09296 0.00994 -0.19421 84 2PZ 0.20926 -0.10049 0.12426 -0.31359 -0.07677 85 3S 0.57952 0.32793 -0.02849 0.55450 0.41563 86 3PX 1.94292 -0.34460 0.79146 0.22530 0.26921 87 3PY 0.49393 -0.08130 -0.07155 -0.36602 -0.48006 88 3PZ 1.81007 -0.43049 0.31798 0.18082 0.25184 89 4XX -0.02317 -0.02315 0.04506 0.00948 -0.01066 90 4YY 0.00179 0.03647 -0.00243 -0.01048 0.05042 91 4ZZ -0.01663 -0.02208 -0.01632 -0.00130 -0.01810 92 4XY -0.01016 -0.01388 -0.02871 -0.03106 -0.01439 93 4XZ -0.04143 -0.02953 0.01945 0.02906 -0.01193 94 4YZ -0.01625 0.00705 0.00256 -0.02000 0.03848 95 7 C 1S 0.04227 0.00121 0.01086 -0.01957 -0.04608 96 2S -0.15277 -0.09286 0.03916 -0.19498 0.11486 97 2PX 0.17788 0.06416 -0.17609 0.12434 0.18630 98 2PY 0.28754 0.02985 -0.02708 0.03730 -0.09704 99 2PZ 0.16658 -0.04869 0.21160 -0.19057 -0.00450 100 3S -0.17182 0.41973 -0.30326 0.13865 0.21188 101 3PX 0.39358 -0.11385 0.04042 -0.24577 -0.20416 102 3PY 2.35538 -0.20461 0.30802 0.23745 0.62844 103 3PZ 1.31416 -0.19671 -0.04945 0.02434 0.10343 104 4XX 0.00155 0.02756 0.00365 -0.03724 0.02078 105 4YY -0.00593 -0.03000 0.01677 -0.01288 -0.04890 106 4ZZ -0.00429 -0.00185 -0.01305 -0.02629 0.00691 107 4XY 0.00084 -0.02653 -0.02723 0.01456 0.01709 108 4XZ 0.01619 0.02776 -0.02141 -0.05164 0.00762 109 4YZ 0.00417 -0.03860 0.01486 -0.02535 -0.02972 110 8 C 1S -0.01771 -0.02129 -0.00048 0.01014 0.01919 111 2S 0.10330 0.10696 0.03099 -0.15864 -0.09969 112 2PX -0.00298 -0.19948 0.10820 0.33763 -0.00420 113 2PY -0.04578 0.17879 0.20417 0.11523 -0.03229 114 2PZ -0.17618 -0.21824 0.00259 0.04765 0.02297 115 3S 0.26465 -0.30240 -0.23743 0.16807 0.42788 116 3PX -0.54436 0.18528 -0.37834 -0.46671 0.21355 117 3PY -0.92077 -0.28463 -0.16583 -0.08334 -0.07922 118 3PZ 0.03976 0.14513 0.08677 -0.08530 -0.31317 119 4XX 0.00277 0.02141 -0.00713 -0.03326 0.00344 120 4YY 0.01184 -0.04204 -0.01711 -0.00626 0.02569 121 4ZZ 0.00527 0.01902 0.02370 0.02630 -0.02313 122 4XY -0.01056 -0.02774 0.01257 0.00016 -0.02964 123 4XZ -0.00488 -0.01719 0.03731 0.02051 -0.00169 124 4YZ -0.00278 -0.00312 0.03070 0.03202 -0.03006 125 9 C 1S 0.02126 0.01089 0.00004 -0.00895 -0.02234 126 2S -0.11747 0.06281 0.11912 -0.17580 0.08204 127 2PX -0.03446 -0.12897 -0.25600 0.29417 0.11323 128 2PY -0.03923 -0.35078 -0.11782 -0.07311 0.13417 129 2PZ 0.00143 -0.13162 0.01392 -0.05041 -0.08585 130 3S -0.80992 0.04275 -0.06663 0.17375 0.13122 131 3PX -0.14523 0.27421 0.30142 -0.18435 -0.29818 132 3PY -0.65455 0.56026 0.25548 0.10651 -0.14548 133 3PZ 0.71687 0.27467 0.04489 0.01702 -0.11769 134 4XX 0.00889 -0.00101 0.01629 -0.00366 0.02067 135 4YY -0.01587 0.00083 -0.02674 -0.04628 -0.00701 136 4ZZ -0.01524 0.00809 0.03042 0.00424 -0.01971 137 4XY -0.00557 0.00754 0.00136 -0.02021 0.01776 138 4XZ -0.02428 0.01925 0.02550 -0.01427 -0.00943 139 4YZ -0.00501 0.03589 -0.00054 0.00692 -0.00501 140 10 H 1S -0.09843 0.00216 0.16387 0.01570 -0.05346 141 2S 0.31198 -0.07468 -0.11096 -0.15619 -0.06727 142 11 H 1S -0.00138 -0.10607 0.12447 0.14002 -0.07277 143 2S -0.49318 0.27194 -0.24302 -0.14239 0.13828 144 12 H 1S -0.05560 -0.12849 0.14030 0.14283 -0.02822 145 2S 0.48059 0.17028 -0.13022 -0.12166 0.25047 146 13 H 1S -0.07423 -0.00240 0.11653 0.00984 -0.09161 147 2S -0.36139 -0.04097 -0.05866 -0.03938 0.14403 148 14 C 1S -0.00284 0.00348 -0.00623 -0.00975 0.00259 149 2S -0.15208 -0.11044 0.15556 0.09537 0.01058 150 2PX -0.05877 -0.06139 0.12695 0.34799 -0.24844 151 2PY -0.04162 -0.01182 -0.21868 0.04884 -0.32627 152 2PZ -0.12558 -0.24367 0.26974 -0.19395 0.16678 153 3S 1.62097 -0.18709 0.34479 0.03457 0.16955 154 3PX 1.32518 -0.25915 0.16077 -0.39065 0.44633 155 3PY -0.89478 0.28133 0.14451 0.16488 0.57729 156 3PZ 0.32408 0.21734 -0.09404 0.27427 0.02954 157 4XX -0.01302 -0.00704 -0.00339 0.01318 -0.00454 158 4YY -0.00847 -0.01031 0.00045 -0.01742 -0.00530 159 4ZZ 0.01322 -0.00214 0.02317 0.00463 0.02405 160 4XY 0.02344 0.02035 0.00993 0.02672 0.00987 161 4XZ 0.01345 0.01241 0.02162 -0.00313 0.02021 162 4YZ 0.02125 0.00144 -0.00089 0.00935 0.02240 163 15 H 1S 0.00001 -0.11804 -0.05219 -0.12870 -0.07664 164 2S 0.89926 -0.23478 0.13176 -0.11440 -0.09314 165 16 H 1S 0.13571 0.06829 0.08237 0.05486 0.16191 166 2S -0.31009 0.00937 0.06749 0.11516 0.18573 167 17 C 1S 0.00868 0.00121 -0.00475 -0.00140 0.00996 168 2S 0.05170 -0.08253 0.06834 -0.11170 -0.12942 169 2PX 0.05852 0.18515 -0.04980 0.23763 0.08379 170 2PY 0.05022 0.13506 -0.18293 0.12141 0.33245 171 2PZ -0.08710 0.05372 0.08622 -0.27617 0.03029 172 3S -1.59279 0.16566 -0.17879 -0.08139 -0.33667 173 3PX -0.91576 -0.09304 -0.04284 -0.19928 -0.25652 174 3PY 1.43093 -0.24348 0.32913 -0.03581 -0.10040 175 3PZ -0.12897 -0.00417 -0.10704 0.33048 -0.07972 176 4XX -0.00727 -0.01445 -0.01619 -0.00472 -0.00168 177 4YY 0.00884 -0.00708 0.01464 -0.02090 -0.00261 178 4ZZ -0.00362 0.01077 0.00051 0.00016 -0.00189 179 4XY -0.01426 0.02854 0.02094 0.00094 0.00111 180 4XZ -0.01315 0.00543 -0.00464 -0.01934 0.00598 181 4YZ -0.00826 0.03375 -0.00621 0.01084 0.01581 182 18 H 1S -0.09094 0.15142 0.01783 -0.01889 0.07899 183 2S 0.16190 -0.14213 0.02467 -0.03703 0.03991 184 19 H 1S -0.07224 -0.12555 -0.07503 -0.04700 -0.04345 185 2S -0.89181 0.17335 -0.05906 0.05971 -0.15340 76 77 78 79 80 V V V V V Eigenvalues -- 0.54000 0.55786 0.56891 0.58092 0.59231 1 1 S 1S -0.00542 -0.00014 -0.00592 -0.00774 -0.00771 2 2S 0.00067 0.00203 -0.01308 -0.00127 -0.00695 3 2PX -0.01411 0.00014 0.00603 0.00988 -0.01848 4 2PY 0.01019 -0.02266 0.01735 0.02885 0.01433 5 2PZ 0.02670 0.01234 -0.00622 0.00595 0.01041 6 3S -0.14920 0.00459 -0.21271 -0.21333 -0.22708 7 3PX 0.04245 -0.01938 -0.01556 -0.02693 0.10782 8 3PY -0.04720 0.10501 -0.07807 -0.10384 -0.06399 9 3PZ -0.10426 -0.04678 0.04869 -0.03821 -0.05888 10 4S 0.45519 0.09030 0.71255 0.34320 0.31090 11 4PX -0.15957 -0.00456 -0.33192 -0.16705 -0.30215 12 4PY 0.04521 -0.17146 0.52189 -0.09976 -0.08652 13 4PZ 0.42055 0.20441 -0.23369 0.09921 0.07159 14 5XX 0.03224 0.13666 -0.22826 -0.19493 -0.14438 15 5YY -0.01060 -0.06042 -0.05769 0.07240 0.08786 16 5ZZ -0.01482 -0.07517 0.29649 0.10193 0.01653 17 5XY -0.01164 -0.05152 0.15253 -0.16651 -0.14402 18 5XZ -0.10156 0.02701 -0.02697 0.04203 0.15174 19 5YZ 0.03784 -0.03878 -0.06046 0.14337 0.10823 20 2 O 1S -0.00160 -0.00350 0.01920 -0.00479 0.00037 21 2S -0.00556 0.07102 0.00666 0.02632 -0.01174 22 2PX -0.00473 0.01660 -0.16494 0.08044 0.10373 23 2PY -0.04301 0.05364 0.04787 -0.06092 -0.00477 24 2PZ -0.07312 0.02311 0.17220 -0.03320 -0.04238 25 3S 0.00978 -0.02632 -0.46433 0.00850 0.01295 26 3PX 0.00807 -0.00108 0.12715 0.02051 0.03524 27 3PY -0.01633 -0.03562 0.09042 -0.02753 -0.03549 28 3PZ 0.00604 -0.02476 -0.09758 0.02900 0.00058 29 4XX -0.00134 0.02831 -0.00046 -0.00605 -0.00915 30 4YY -0.00267 0.03357 0.02282 -0.00318 -0.01554 31 4ZZ -0.00304 0.00957 0.01849 0.02382 0.02119 32 4XY -0.00885 0.00911 -0.00748 0.01968 0.02819 33 4XZ -0.00259 0.00217 0.02456 -0.01199 -0.00731 34 4YZ 0.00044 -0.01026 0.03671 0.00785 0.00191 35 3 O 1S 0.00289 0.00142 0.00932 0.00580 0.01711 36 2S 0.00629 0.05446 -0.01977 0.08319 0.00387 37 2PX 0.05152 0.07620 -0.10756 -0.13743 -0.15640 38 2PY 0.07055 -0.11243 -0.03842 -0.00774 -0.00501 39 2PZ -0.03552 0.02646 0.08404 0.15369 0.17871 40 3S 0.06566 -0.28733 -0.15340 -0.36966 -0.56468 41 3PX -0.00862 0.09674 0.06922 0.10381 0.23545 42 3PY -0.02529 -0.00653 -0.10021 0.00843 -0.03317 43 3PZ 0.01310 -0.04820 -0.07282 -0.11202 -0.18957 44 4XX 0.03126 -0.01078 -0.01255 0.04929 -0.02268 45 4YY -0.00056 0.02429 -0.00208 0.02703 0.03111 46 4ZZ -0.00296 0.02574 0.00747 -0.01081 -0.00479 47 4XY 0.00139 0.00365 0.01858 -0.00733 -0.01028 48 4XZ -0.00559 -0.00601 -0.00006 0.01815 0.03017 49 4YZ -0.00586 0.00417 -0.03009 -0.00290 -0.01505 50 4 C 1S -0.00144 0.06282 0.01493 -0.00615 0.00371 51 2S 0.13475 0.04340 -0.10040 0.03823 0.21593 52 2PX -0.21438 0.21713 -0.33858 0.24214 -0.01458 53 2PY 0.21001 -0.26121 -0.01849 -0.03085 0.03665 54 2PZ 0.20623 -0.03674 -0.05709 -0.07197 0.17655 55 3S 0.28866 -0.67343 -0.47353 0.12559 0.09476 56 3PX 0.25915 -0.59985 0.25986 -0.16730 -0.03820 57 3PY -0.02911 -0.26048 -0.26910 0.07418 0.25415 58 3PZ -0.35066 -0.47512 -0.03057 0.03624 -0.27409 59 4XX 0.00571 -0.01820 -0.01186 0.03366 -0.02594 60 4YY -0.00721 0.03562 0.00954 -0.02357 0.03453 61 4ZZ 0.03066 0.05291 -0.00136 -0.00664 0.03583 62 4XY 0.00046 0.06502 -0.01071 -0.00372 0.00407 63 4XZ 0.01572 0.03262 0.00662 0.03752 0.01583 64 4YZ 0.01035 -0.01813 0.00638 -0.00119 -0.02698 65 5 C 1S -0.00860 -0.02628 -0.00044 0.00203 0.00043 66 2S 0.13675 -0.00700 -0.05138 0.02153 -0.04872 67 2PX 0.10038 0.11875 -0.03353 -0.20932 -0.23630 68 2PY 0.10701 -0.43007 -0.06735 0.13046 -0.19393 69 2PZ -0.02083 0.28884 0.06483 0.02052 0.26836 70 3S -0.61400 0.88675 0.48232 -0.14185 0.10692 71 3PX -0.21336 -0.01523 -0.13527 0.33662 0.54987 72 3PY -0.22515 1.26020 0.29913 -0.23008 0.46274 73 3PZ -0.20564 -0.09817 0.03944 -0.18106 -0.53348 74 4XX -0.00282 0.01911 0.01581 0.00691 0.03411 75 4YY 0.00107 0.00230 -0.00877 0.00478 -0.01388 76 4ZZ -0.00318 -0.02017 0.00652 0.01045 0.00144 77 4XY -0.00072 -0.01139 0.00419 0.02891 0.00069 78 4XZ -0.00692 0.01554 -0.01107 -0.03297 -0.02559 79 4YZ -0.01676 0.00861 0.00061 -0.00276 0.00440 80 6 C 1S 0.01886 -0.01050 0.00731 0.02832 -0.00572 81 2S 0.13070 -0.02877 0.17417 0.04366 0.08608 82 2PX -0.09128 -0.01710 0.06370 0.03083 0.00297 83 2PY 0.01757 -0.10141 0.07786 0.12439 0.01942 84 2PZ 0.07502 0.15205 0.01713 0.02605 -0.02533 85 3S -0.01862 -0.37779 -0.42048 -0.14163 -0.52247 86 3PX 0.86842 -1.18349 -0.16789 0.49278 -0.27671 87 3PY -0.30689 0.82291 0.20608 -0.27328 -0.14967 88 3PZ 0.42482 -0.32857 0.05796 0.29485 -0.13840 89 4XX 0.02370 -0.00167 0.02332 0.04482 -0.02738 90 4YY 0.02222 -0.03337 0.00393 0.00596 -0.00077 91 4ZZ 0.01339 0.00417 0.00831 -0.01394 0.01980 92 4XY 0.01105 0.03843 0.00749 -0.02425 -0.01186 93 4XZ 0.02479 -0.02245 0.02873 0.03342 -0.00519 94 4YZ 0.05123 -0.01704 0.01095 -0.00556 -0.01220 95 7 C 1S -0.01532 -0.00429 0.04634 0.04120 0.00972 96 2S 0.06859 -0.15348 0.05321 -0.07993 0.00565 97 2PX -0.18415 0.00130 -0.01010 -0.09662 0.06312 98 2PY -0.13217 0.06572 0.06504 0.02112 0.01986 99 2PZ -0.24744 -0.00435 -0.37227 -0.18880 0.06270 100 3S -0.87858 0.51023 -0.05381 0.04210 0.13152 101 3PX -0.46360 0.55374 0.24913 -0.06733 -0.28947 102 3PY 1.37234 -0.56126 -0.52662 0.03016 -0.51460 103 3PZ 0.09924 -0.04760 0.35273 0.20123 -0.33492 104 4XX -0.01302 -0.01807 0.01292 -0.02145 0.00805 105 4YY -0.03833 -0.00563 0.06592 0.06156 0.03264 106 4ZZ 0.02110 -0.00435 0.00044 -0.00924 -0.01912 107 4XY 0.04528 0.02333 -0.02827 -0.04200 0.00453 108 4XZ -0.02358 -0.00110 0.04011 -0.00196 0.00000 109 4YZ 0.00095 -0.00581 -0.00448 0.00449 -0.00138 110 8 C 1S -0.04032 0.00878 0.00622 -0.02306 -0.00501 111 2S -0.03997 -0.03673 -0.00989 0.12730 0.23219 112 2PX 0.36599 0.19058 -0.22844 -0.18553 -0.24352 113 2PY -0.30851 0.10899 0.39891 -0.10121 -0.38609 114 2PZ -0.07450 -0.07148 -0.24555 -0.09821 0.15791 115 3S 0.92220 -0.53219 -0.47475 -0.24237 -0.41659 116 3PX -1.34573 0.04079 0.49897 0.32449 0.43535 117 3PY 0.18883 -0.19926 -0.24241 0.34908 0.85365 118 3PZ -0.16100 0.36608 0.77686 0.14235 -0.04933 119 4XX -0.01909 -0.02048 0.02199 0.01587 0.02362 120 4YY -0.00929 0.00760 -0.01207 -0.03219 0.00531 121 4ZZ 0.01576 0.00239 -0.01610 0.00223 -0.02033 122 4XY -0.04222 0.00001 0.01759 0.01933 0.02511 123 4XZ -0.04961 -0.00676 -0.03059 -0.00785 0.04002 124 4YZ -0.00610 0.02562 0.02236 -0.00637 -0.00691 125 9 C 1S 0.02740 -0.03449 -0.04235 0.01708 0.04170 126 2S 0.00459 0.17183 -0.12955 -0.12079 0.21737 127 2PX -0.08438 0.06108 -0.16247 0.46476 -0.12893 128 2PY -0.21087 -0.21008 0.05781 -0.34479 -0.06374 129 2PZ -0.06912 -0.25442 0.08563 -0.21086 0.06946 130 3S -0.35659 0.59603 0.49435 0.27880 -0.02092 131 3PX 0.26954 -0.34306 -0.06016 -0.44136 0.15575 132 3PY -0.00977 -0.07587 -0.09838 0.48118 0.27120 133 3PZ 0.49947 -0.28387 -0.65815 0.36094 -0.10627 134 4XX 0.00100 -0.00326 0.01869 -0.02468 -0.02031 135 4YY 0.01410 -0.01314 -0.04608 0.02380 0.07297 136 4ZZ -0.01084 0.01478 -0.04098 -0.00225 0.05035 137 4XY 0.04055 -0.01289 -0.05348 -0.00640 0.03536 138 4XZ -0.00120 -0.03195 -0.00229 -0.01596 0.03527 139 4YZ 0.01058 -0.00789 -0.00024 0.00716 -0.04783 140 10 H 1S -0.06792 0.29711 0.05930 -0.07752 0.18718 141 2S 0.11844 -0.27659 -0.08494 0.10379 0.14197 142 11 H 1S -0.11504 -0.00445 0.01679 0.00447 0.00668 143 2S -0.04807 0.17743 -0.00446 -0.05564 0.02498 144 12 H 1S -0.24654 0.04377 -0.06535 -0.12088 0.03080 145 2S 0.21060 -0.12376 -0.33911 -0.19413 -0.29618 146 13 H 1S -0.01838 -0.00176 -0.12854 -0.04470 0.29090 147 2S -0.17069 0.16218 0.26408 -0.07932 -0.02557 148 14 C 1S 0.00181 0.00303 -0.00567 -0.01414 0.00384 149 2S 0.14105 -0.13424 0.15184 0.22176 -0.00619 150 2PX 0.06126 -0.31710 0.03812 0.09855 0.16299 151 2PY 0.05772 -0.04501 0.04645 -0.18121 0.17268 152 2PZ 0.08919 0.25627 0.11204 0.33308 -0.31451 153 3S 0.44307 -0.62079 -0.17634 0.20757 -0.08002 154 3PX 0.33507 -0.10023 0.00305 0.26986 -0.22040 155 3PY -0.18401 -0.10671 -0.12812 0.07843 -0.10285 156 3PZ 0.04795 -0.66001 -0.16240 -0.18943 0.35240 157 4XX 0.00535 -0.01831 0.00824 -0.00141 0.01725 158 4YY 0.02757 -0.00818 0.01137 0.00803 -0.01838 159 4ZZ 0.00276 -0.00073 0.00174 0.01572 0.00856 160 4XY -0.03106 -0.02007 -0.02133 0.01005 0.00102 161 4XZ 0.00374 -0.01510 -0.00917 -0.00028 0.00161 162 4YZ 0.00169 -0.01798 0.00113 0.01171 0.01555 163 15 H 1S 0.15259 0.01752 0.08108 0.02190 -0.02260 164 2S 0.06692 0.03558 0.01590 0.16363 -0.03183 165 16 H 1S -0.02614 -0.12319 -0.04210 0.06018 0.03937 166 2S 0.06788 -0.20814 -0.00124 0.01659 0.01366 167 17 C 1S 0.00604 0.00517 -0.01485 -0.01899 -0.00243 168 2S -0.14474 -0.02840 0.13350 0.15436 -0.02633 169 2PX -0.06195 0.18554 0.23754 -0.09270 0.22860 170 2PY 0.27566 0.11574 -0.11577 -0.29693 -0.00107 171 2PZ -0.26117 -0.24489 -0.32919 0.03870 -0.27899 172 3S -0.59647 0.29260 0.24149 -0.11317 0.40770 173 3PX 0.26265 -0.27396 -0.09877 0.13427 -0.11712 174 3PY 0.06324 -0.30107 -0.17744 0.42105 -0.04114 175 3PZ 0.58168 0.21355 0.29455 -0.01809 0.37041 176 4XX 0.00234 -0.00244 0.00347 0.00225 0.01289 177 4YY -0.01745 -0.00246 -0.02281 -0.01711 -0.00875 178 4ZZ -0.00530 0.01051 0.01629 0.00944 -0.01870 179 4XY -0.03193 -0.00886 0.00416 0.01275 -0.00610 180 4XZ -0.00406 0.00211 -0.00390 -0.01280 -0.01177 181 4YZ -0.02969 0.00599 0.01805 -0.00203 -0.00305 182 18 H 1S -0.18012 0.00442 0.00418 -0.05582 -0.05134 183 2S -0.21858 0.08520 -0.04174 -0.10966 -0.09681 184 19 H 1S 0.15781 0.02974 0.00667 -0.05804 -0.01396 185 2S 0.12129 -0.03021 0.19302 0.02929 0.00671 81 82 83 84 85 V V V V V Eigenvalues -- 0.62541 0.63135 0.63918 0.65845 0.66542 1 1 S 1S -0.00460 -0.00291 0.00120 -0.00426 0.00089 2 2S 0.00641 0.00336 0.00126 -0.00922 -0.00359 3 2PX -0.01824 -0.02492 -0.00460 -0.00767 0.01227 4 2PY 0.07160 0.01219 0.01559 -0.00631 0.03802 5 2PZ -0.02966 -0.01988 0.00401 0.00229 -0.00043 6 3S -0.10418 -0.06983 0.03496 -0.13772 0.02560 7 3PX 0.07760 0.10117 0.02341 0.05187 -0.04824 8 3PY -0.29472 -0.04710 -0.07279 0.02859 -0.15525 9 3PZ 0.12881 0.08612 -0.01027 -0.00935 -0.01016 10 4S 0.11918 0.06644 -0.12644 0.26018 -0.09941 11 4PX -0.12494 -0.12432 0.05099 -0.15088 0.10623 12 4PY 0.20900 0.02249 0.19436 -0.02156 0.14397 13 4PZ -0.01839 -0.01798 -0.00792 0.00309 0.03229 14 5XX 0.03600 0.18721 0.04673 -0.04555 0.02500 15 5YY 0.03255 -0.11169 0.07697 -0.12394 0.05449 16 5ZZ -0.07667 -0.07665 -0.12225 0.13047 -0.11055 17 5XY -0.25462 0.01299 0.11390 0.00707 -0.08006 18 5XZ 0.12054 0.11232 -0.05042 0.11081 0.08251 19 5YZ 0.05670 -0.11616 0.03888 -0.12356 0.07656 20 2 O 1S -0.00660 -0.00388 0.00397 0.00367 -0.00456 21 2S 0.06863 0.02033 0.00064 -0.01569 0.08116 22 2PX 0.10451 0.02351 -0.11506 0.00505 -0.00685 23 2PY -0.02469 0.02433 -0.01457 0.05626 -0.01623 24 2PZ 0.04759 0.09005 -0.05789 0.08350 -0.00901 25 3S -0.09292 -0.00065 -0.07629 -0.03956 -0.10095 26 3PX 0.01032 -0.00300 0.05944 0.03435 0.00996 27 3PY -0.14705 -0.07083 0.00175 -0.01071 -0.07212 28 3PZ 0.00336 -0.01509 -0.00211 -0.03765 0.00144 29 4XX 0.03798 0.01879 0.00411 -0.00258 0.02724 30 4YY -0.00367 0.00977 -0.00907 0.01312 0.01103 31 4ZZ 0.02251 -0.01459 0.01640 -0.01072 0.02879 32 4XY 0.03596 0.00272 -0.01359 0.01091 0.01815 33 4XZ -0.00690 0.01192 0.00680 0.00618 0.00236 34 4YZ 0.00067 0.00601 -0.00736 0.02028 -0.00931 35 3 O 1S -0.01078 0.01405 0.00887 -0.00475 -0.00097 36 2S -0.00912 -0.03566 -0.18942 -0.05425 -0.13063 37 2PX 0.06777 0.08832 0.02715 -0.00707 0.03247 38 2PY -0.11490 -0.05472 0.09819 -0.03334 -0.00908 39 2PZ -0.00274 0.14330 -0.05770 -0.06521 -0.07094 40 3S 0.35699 -0.47059 0.12480 0.23205 0.57392 41 3PX -0.15902 0.15039 0.06408 -0.10731 -0.13578 42 3PY 0.06081 0.08968 0.00522 0.03286 -0.05844 43 3PZ 0.03117 -0.15397 0.07633 0.04671 0.12055 44 4XX 0.03520 -0.05840 -0.07583 -0.03134 -0.01714 45 4YY -0.00199 0.03009 -0.05755 -0.00160 -0.02912 46 4ZZ -0.05054 -0.00123 -0.01868 -0.02119 -0.03786 47 4XY -0.00540 -0.02563 -0.01691 0.01282 0.00171 48 4XZ -0.01744 0.01602 0.01507 -0.03654 -0.00581 49 4YZ 0.00148 0.02184 0.00411 -0.01103 -0.01080 50 4 C 1S -0.03436 0.01396 -0.00656 -0.01404 0.00220 51 2S 0.12804 0.01240 -0.43785 -0.05217 -0.17866 52 2PX 0.06248 0.21995 0.25759 0.14578 -0.60259 53 2PY 0.17260 -0.05677 -0.08963 -0.02506 0.10958 54 2PZ -0.08095 -0.12945 0.46469 0.17049 0.30576 55 3S -0.25255 0.00768 1.08420 -0.13053 0.77942 56 3PX 0.10525 -0.61205 -0.49722 0.02412 1.25129 57 3PY -0.29412 -0.00209 0.18390 0.04310 0.11644 58 3PZ 0.39252 0.14337 -0.64729 0.02256 -0.77529 59 4XX 0.02561 -0.00008 -0.01493 0.01202 -0.01264 60 4YY -0.02671 -0.02679 -0.06094 0.02104 0.00976 61 4ZZ -0.02191 0.03647 -0.01517 -0.06074 -0.00666 62 4XY -0.02597 0.02342 -0.05880 -0.00947 -0.02157 63 4XZ -0.01534 0.01140 -0.01837 -0.04253 0.02686 64 4YZ 0.01327 0.01032 -0.02909 -0.02846 -0.01281 65 5 C 1S 0.00985 -0.02575 -0.03860 0.00645 -0.00513 66 2S -0.03194 0.02284 0.11412 0.00445 0.06870 67 2PX 0.15238 -0.27283 -0.15318 0.04975 0.17724 68 2PY 0.15707 0.09111 0.10529 0.07764 -0.04964 69 2PZ -0.25579 0.16044 0.25010 -0.11998 0.12170 70 3S 0.09593 0.24047 -0.93663 -0.39282 -0.61646 71 3PX -0.39230 0.93320 0.47537 -0.16726 -0.98436 72 3PY -0.38657 -0.13809 -0.34270 -0.46299 0.15343 73 3PZ 0.67635 -0.31541 -0.92907 0.18682 -0.44256 74 4XX -0.02413 0.00845 0.00690 0.02284 -0.01298 75 4YY 0.01847 -0.00063 -0.02574 -0.02863 -0.01480 76 4ZZ -0.00101 -0.01455 -0.04029 -0.00601 -0.00283 77 4XY 0.00781 -0.01174 0.03296 0.00280 0.01159 78 4XZ -0.00075 -0.00927 -0.00525 0.03193 -0.01497 79 4YZ -0.02289 -0.03741 0.01772 0.03032 0.01219 80 6 C 1S -0.00687 0.01740 0.02853 -0.02805 -0.02374 81 2S 0.02838 0.11464 -0.43973 0.14867 -0.13249 82 2PX -0.08453 -0.11162 0.14140 -0.20921 -0.16516 83 2PY -0.03443 0.09602 0.43674 0.18178 0.10431 84 2PZ 0.09625 0.22052 -0.00777 -0.31834 0.06301 85 3S -0.14868 -0.06720 0.63531 -0.10278 0.14804 86 3PX 0.09262 -0.11393 -0.31712 0.46036 0.44634 87 3PY -0.06662 -0.22552 -1.02774 -0.41567 0.28287 88 3PZ -0.17669 -0.35399 -0.11787 0.36214 0.17117 89 4XX 0.02098 -0.01884 0.00066 -0.03406 -0.03645 90 4YY -0.02569 0.03915 -0.00793 0.03620 -0.01982 91 4ZZ -0.01079 0.01775 -0.03050 -0.01610 -0.00227 92 4XY -0.01188 -0.02605 -0.02815 0.02168 0.00129 93 4XZ -0.02372 0.00250 -0.00350 -0.04090 -0.02626 94 4YZ 0.00940 0.03540 -0.01793 0.01058 -0.02180 95 7 C 1S 0.00702 -0.00160 0.00096 -0.01800 0.00308 96 2S 0.00695 0.26284 0.11131 0.12622 0.07261 97 2PX -0.17567 -0.23859 0.01719 0.00906 0.14354 98 2PY -0.09250 -0.00209 0.03489 0.19331 0.17882 99 2PZ 0.35492 0.05321 0.04382 0.00633 0.09670 100 3S 0.02482 -0.22273 -0.09934 -0.24099 -0.41056 101 3PX 0.35865 0.19887 -0.29750 -0.18381 0.15846 102 3PY -0.27987 -0.14447 -0.35068 -0.00845 -0.39394 103 3PZ -0.60754 -0.18343 -0.51709 -0.10600 0.19467 104 4XX 0.00716 0.06251 0.00597 0.00407 0.00824 105 4YY 0.02233 -0.02406 0.01685 -0.03291 -0.00402 106 4ZZ -0.02651 0.00618 0.00008 0.02594 -0.00855 107 4XY 0.00319 0.00248 0.00871 0.00988 -0.00003 108 4XZ 0.00749 0.03632 0.01360 0.01219 0.00082 109 4YZ -0.00510 0.02365 0.00592 -0.03868 -0.00772 110 8 C 1S 0.00753 -0.00399 0.00098 0.00577 0.00497 111 2S 0.06071 0.04559 0.03775 0.02752 0.03078 112 2PX 0.00149 -0.01923 -0.01096 -0.06394 0.06228 113 2PY 0.04665 0.24244 -0.03653 -0.08844 0.05391 114 2PZ -0.11962 -0.11524 0.08552 0.06063 -0.01852 115 3S 0.06284 0.21177 -0.06087 -0.12195 -0.03817 116 3PX -0.00673 -0.10224 -0.07327 0.16586 0.25337 117 3PY -0.14973 -0.57397 0.43110 0.23301 -0.30387 118 3PZ 0.28701 0.14131 -0.20421 0.02250 -0.09771 119 4XX -0.00151 -0.03778 0.00022 0.01430 -0.00684 120 4YY 0.01976 0.04130 -0.00445 0.00953 0.00714 121 4ZZ 0.00196 0.00283 0.01034 -0.02278 0.00473 122 4XY 0.03005 -0.01737 0.00423 -0.00315 0.00906 123 4XZ 0.01587 -0.00128 0.01661 0.01698 0.02864 124 4YZ -0.04855 -0.02018 -0.01139 0.03779 -0.01133 125 9 C 1S 0.00863 -0.01903 0.00978 0.03140 -0.00598 126 2S 0.15360 0.18670 -0.13309 -0.11600 0.01774 127 2PX 0.08119 0.01522 -0.10264 0.16665 0.46952 128 2PY 0.33973 0.09912 0.13108 0.00772 -0.11439 129 2PZ 0.01475 -0.20138 0.18434 0.19579 -0.22693 130 3S -0.48202 -0.35318 0.42617 0.03492 -0.29615 131 3PX -0.03088 0.02393 0.33758 -0.24131 -0.86176 132 3PY -0.36735 -0.42192 0.09507 0.20573 0.12699 133 3PZ 0.16693 0.39648 -0.30842 -0.43463 0.63889 134 4XX 0.00902 0.01521 0.00165 -0.02370 0.02497 135 4YY 0.01779 -0.01257 0.03194 -0.00581 -0.00414 136 4ZZ 0.01781 -0.00424 -0.02805 0.06059 -0.02545 137 4XY 0.01437 0.01408 0.02547 0.00406 0.00214 138 4XZ 0.02292 -0.03704 0.02077 0.03092 0.00048 139 4YZ 0.02447 0.02876 0.03887 -0.02039 -0.00575 140 10 H 1S -0.26503 -0.09371 -0.20773 0.09287 -0.01490 141 2S -0.00323 -0.07915 0.00366 -0.06383 0.18973 142 11 H 1S 0.00111 -0.19176 -0.22097 0.11330 -0.06468 143 2S 0.09655 0.07472 -0.34956 -0.17374 -0.23810 144 12 H 1S 0.02435 -0.05423 0.01936 0.10372 0.08000 145 2S 0.00135 0.15663 -0.03174 -0.18990 0.02342 146 13 H 1S -0.08169 -0.20501 -0.02276 0.32088 -0.05847 147 2S -0.06190 -0.07307 0.21041 0.04802 -0.06975 148 14 C 1S -0.00105 0.00527 -0.02535 0.05449 0.00840 149 2S 0.04855 0.19620 -0.18945 0.25363 -0.15551 150 2PX -0.06847 0.15098 -0.04847 -0.39722 -0.02910 151 2PY -0.12692 0.28116 -0.06939 -0.02978 0.14480 152 2PZ 0.13373 -0.26961 0.28833 0.08605 -0.13147 153 3S -0.00026 -0.54210 0.24653 -0.49620 0.42238 154 3PX 0.03663 -0.00069 -0.00498 0.76701 -0.08511 155 3PY 0.24710 -0.44408 0.20929 -0.01018 -0.31397 156 3PZ -0.10454 0.37704 -0.44029 0.00596 0.06147 157 4XX -0.00533 0.01080 -0.03183 0.06461 0.01768 158 4YY 0.00856 0.02057 -0.04044 0.05364 -0.01541 159 4ZZ 0.01011 0.00953 -0.00159 0.00285 -0.00808 160 4XY 0.00622 -0.01289 0.03106 -0.04391 -0.00671 161 4XZ 0.02045 0.00732 -0.04038 0.07043 0.00480 162 4YZ -0.01096 0.02670 -0.01763 0.04589 -0.01321 163 15 H 1S -0.04035 0.16840 -0.12920 0.36310 -0.02765 164 2S -0.06923 0.21808 0.02114 0.15846 0.03548 165 16 H 1S 0.02259 0.09659 -0.18990 0.31688 -0.08930 166 2S 0.02366 0.04208 -0.08862 0.14950 -0.17830 167 17 C 1S -0.00740 0.02105 0.00189 0.03175 0.01977 168 2S 0.06163 0.26838 0.14514 0.14597 0.24598 169 2PX 0.43675 -0.12949 0.05926 -0.07915 0.04745 170 2PY 0.05026 0.08804 -0.01516 0.23739 -0.05401 171 2PZ -0.41452 0.01711 -0.13972 -0.05644 0.12209 172 3S 0.30968 -0.47337 0.05354 -0.52854 -0.23600 173 3PX -0.59896 0.34604 0.08530 0.24840 -0.15701 174 3PY -0.24221 -0.50714 -0.19209 -0.39096 -0.24678 175 3PZ 0.48042 0.02794 0.25205 0.17376 -0.38578 176 4XX -0.00609 0.02462 0.02174 0.02033 0.01826 177 4YY 0.00681 0.04807 0.01734 0.04770 0.04243 178 4ZZ 0.00631 0.00741 -0.00559 0.00277 0.01277 179 4XY 0.00977 -0.01108 -0.01936 -0.03301 -0.01016 180 4XZ -0.00126 0.05460 0.01027 0.03555 0.04012 181 4YZ 0.00327 0.00271 0.00217 0.02152 0.02512 182 18 H 1S 0.03537 0.18729 0.02728 0.16495 0.24699 183 2S 0.03122 0.06530 -0.02312 0.00578 0.24119 184 19 H 1S -0.06730 0.27920 0.09677 0.22778 0.14639 185 2S -0.04893 0.29397 0.10058 0.22716 -0.06538 86 87 88 89 90 V V V V V Eigenvalues -- 0.67939 0.68603 0.73649 0.75951 0.77836 1 1 S 1S 0.00309 0.00394 -0.00698 0.00108 -0.00483 2 2S 0.00774 -0.00923 -0.01312 -0.02624 -0.03883 3 2PX -0.00720 0.02192 -0.01996 0.04189 -0.00021 4 2PY 0.01321 -0.03523 -0.04656 -0.02142 -0.02035 5 2PZ 0.00255 -0.00057 0.06312 0.02009 0.00537 6 3S 0.09893 0.08759 -0.23075 -0.04809 -0.27080 7 3PX 0.01755 -0.08200 0.13011 -0.18551 0.01098 8 3PY -0.06702 0.16813 0.20299 0.11519 0.12365 9 3PZ -0.00453 -0.01983 -0.29425 -0.07834 -0.03376 10 4S -0.20344 -0.11377 0.30021 0.73456 1.46892 11 4PX 0.02925 0.15586 -0.26495 -0.08480 -0.68975 12 4PY 0.13535 -0.20201 -0.13713 0.09238 0.20591 13 4PZ -0.10654 0.00826 0.13994 0.38563 0.19782 14 5XX 0.11680 0.02489 -0.07510 -0.32250 -0.07188 15 5YY 0.22728 -0.14599 0.14658 0.26219 0.26739 16 5ZZ -0.30674 0.10039 -0.11910 0.04534 -0.16886 17 5XY 0.02095 0.08741 0.26964 0.17542 0.06101 18 5XZ -0.18885 0.19308 -0.26505 -0.03834 0.25441 19 5YZ 0.16539 -0.19499 0.07400 0.27809 0.04260 20 2 O 1S 0.00297 -0.00026 0.01303 0.00901 0.02596 21 2S -0.04855 0.00580 -0.17178 0.02555 -0.20199 22 2PX -0.03820 0.02976 -0.08357 -0.12333 -0.05268 23 2PY -0.08829 0.03524 -0.01050 -0.01422 -0.15640 24 2PZ -0.15175 0.08195 -0.12858 -0.02742 0.02016 25 3S 0.02681 0.04938 0.13921 -0.21963 -0.17542 26 3PX 0.00948 -0.05122 0.05846 0.07233 0.18054 27 3PY 0.05393 0.06528 0.14743 0.11321 0.38364 28 3PZ 0.04860 -0.03510 -0.00290 -0.13207 -0.20795 29 4XX -0.00343 -0.00409 -0.04470 -0.01251 -0.04603 30 4YY -0.05099 0.02943 -0.05518 -0.00251 -0.08475 31 4ZZ 0.01109 -0.02893 -0.02487 0.04484 -0.02182 32 4XY -0.02151 0.00518 -0.05242 -0.00588 0.01745 33 4XZ -0.00968 0.01126 0.00509 0.03565 0.02493 34 4YZ -0.03205 0.01244 -0.01462 -0.02499 -0.00988 35 3 O 1S 0.00321 0.00763 0.00366 0.01098 0.02753 36 2S -0.00618 -0.09475 -0.08309 -0.17181 -0.04131 37 2PX 0.01939 0.05216 -0.13122 -0.11337 -0.14406 38 2PY 0.07335 0.01282 0.13499 -0.00743 0.12828 39 2PZ -0.08349 0.00768 -0.21618 0.01463 0.02735 40 3S -0.04718 0.07797 -0.04893 0.36747 -0.56034 41 3PX 0.05278 -0.03366 0.06730 -0.06205 0.11615 42 3PY -0.10858 0.02233 -0.15681 -0.08108 -0.28936 43 3PZ 0.09178 -0.08006 0.00839 -0.03731 -0.36050 44 4XX 0.01739 -0.04945 -0.03202 0.02026 0.01373 45 4YY -0.04019 0.00828 -0.06248 -0.07430 -0.00148 46 4ZZ 0.03170 -0.02362 0.01835 -0.05321 -0.01362 47 4XY -0.02059 0.01295 -0.02467 -0.00183 0.02936 48 4XZ 0.02485 -0.01472 0.01551 0.03858 0.02354 49 4YZ 0.01344 -0.00325 -0.00834 -0.01344 -0.00718 50 4 C 1S 0.02395 -0.00563 -0.00371 -0.02193 0.02902 51 2S -0.17799 0.01075 0.04702 0.04449 0.02959 52 2PX -0.02280 0.00789 -0.00023 0.22040 -0.01010 53 2PY -0.05585 0.05058 0.04568 -0.25524 0.19164 54 2PZ -0.07941 0.23875 -0.04586 0.13601 -0.17678 55 3S 0.19086 -0.17760 -1.05877 0.13545 -0.60494 56 3PX -0.20134 0.07084 -0.06717 -0.17339 -0.19398 57 3PY -0.30664 -0.17261 -0.63991 1.11105 -0.93374 58 3PZ -0.14384 -0.13252 0.30966 -0.20380 0.65786 59 4XX -0.01441 0.00728 0.03140 0.01508 -0.00074 60 4YY -0.02942 -0.01225 -0.04186 0.00220 0.02860 61 4ZZ 0.04133 -0.01843 -0.01747 -0.02201 -0.02342 62 4XY -0.00945 0.01081 0.05967 0.00128 0.05139 63 4XZ 0.02901 -0.02981 -0.05513 -0.00862 0.00938 64 4YZ 0.01597 -0.02755 -0.00231 -0.02399 0.01957 65 5 C 1S -0.01494 -0.03169 -0.00426 0.00644 -0.02917 66 2S 0.06940 0.08040 -0.20665 0.02746 0.08073 67 2PX 0.02777 -0.04345 -0.10000 0.04593 -0.12187 68 2PY -0.08004 0.06060 -0.00093 0.02949 -0.11943 69 2PZ 0.12417 -0.01229 -0.21297 0.04701 -0.37291 70 3S 0.08837 -0.30006 1.19854 -0.96170 0.80380 71 3PX 0.00347 0.22968 0.18992 -0.34160 0.80024 72 3PY 0.53803 -0.20098 0.24176 -0.63118 0.75504 73 3PZ -0.19970 0.24269 0.99891 -0.25423 1.52147 74 4XX -0.01139 0.02877 0.01108 0.00232 0.03215 75 4YY 0.01274 -0.04718 -0.00466 -0.02543 -0.00522 76 4ZZ -0.00668 -0.01721 -0.01479 0.00249 -0.00040 77 4XY 0.00524 -0.01463 -0.00818 0.01505 -0.03241 78 4XZ -0.00648 0.01210 0.03774 -0.02996 -0.02755 79 4YZ -0.02869 -0.02052 0.00275 0.02418 -0.04590 80 6 C 1S -0.02783 -0.00500 0.00374 0.00233 0.00324 81 2S 0.29931 0.01506 0.13877 -0.09153 0.25477 82 2PX -0.28674 -0.17748 0.08917 -0.39187 0.35340 83 2PY 0.18098 0.21976 -0.12991 -0.21941 0.23484 84 2PZ -0.22434 0.10570 0.28923 0.31773 -0.13502 85 3S -0.86825 0.38949 -0.00056 0.47187 -0.99099 86 3PX -0.43531 0.14597 -0.81600 1.36270 -1.48108 87 3PY -0.12139 -0.51545 0.63473 0.07896 -0.49683 88 3PZ -0.05155 -0.37444 -0.60875 -0.53073 -0.31365 89 4XX -0.03181 -0.02962 0.01328 -0.00657 0.02054 90 4YY 0.00510 0.02635 0.01800 0.01067 0.01985 91 4ZZ 0.01555 0.01060 0.01411 -0.00628 -0.01380 92 4XY -0.00186 0.01139 0.00991 0.00212 0.01868 93 4XZ -0.04556 0.00475 0.02207 0.02922 -0.00287 94 4YZ 0.00139 0.02756 0.01558 -0.04632 0.02155 95 7 C 1S 0.01301 0.03327 0.01478 0.00071 0.01737 96 2S -0.25461 -0.11856 0.08851 0.26844 0.24090 97 2PX 0.10207 0.16025 -0.22218 0.22986 0.18564 98 2PY -0.12340 -0.56439 -0.17605 -0.01483 -0.06648 99 2PZ 0.09143 -0.06602 0.19641 -0.01483 0.12973 100 3S 0.59808 0.22492 0.68317 -1.21778 0.14908 101 3PX 0.13122 -0.51899 0.69263 -1.00191 -0.73704 102 3PY -0.91940 1.05066 0.35115 0.57417 0.18234 103 3PZ -0.43218 -0.00353 0.07346 -0.04180 -0.86560 104 4XX -0.01082 -0.00016 0.00963 -0.03127 0.02217 105 4YY 0.02671 0.05613 0.04276 0.03093 0.02844 106 4ZZ -0.03875 -0.00959 0.02441 0.02677 0.02539 107 4XY -0.01082 -0.01098 0.00243 -0.00602 -0.01583 108 4XZ -0.01167 0.01402 0.04624 -0.02571 0.00579 109 4YZ -0.00084 0.03007 -0.00564 -0.00252 0.06219 110 8 C 1S 0.01250 0.00882 0.00847 0.00465 0.00115 111 2S -0.01752 -0.03710 0.05154 -0.14845 0.03587 112 2PX -0.02747 0.03678 -0.32590 0.38070 0.28341 113 2PY -0.00782 0.15498 0.12390 0.01595 -0.03833 114 2PZ 0.02991 -0.00423 0.26086 -0.24078 -0.29134 115 3S -0.71530 0.78986 -0.95530 1.44587 0.45612 116 3PX 0.46753 -0.18631 0.83668 -1.35229 -0.99083 117 3PY 0.41068 -0.45661 -0.31109 -0.04528 0.04191 118 3PZ 0.19790 -0.28018 -0.06232 0.30797 0.68417 119 4XX 0.00173 -0.00570 -0.00327 0.03147 -0.02452 120 4YY -0.05503 0.04532 0.00795 0.00571 0.02022 121 4ZZ 0.04549 -0.02237 -0.01112 -0.01426 0.00780 122 4XY 0.01755 -0.01930 -0.04005 0.01447 -0.01053 123 4XZ 0.02104 0.04305 -0.00335 0.01021 0.07097 124 4YZ -0.01701 0.00898 0.02976 -0.00069 0.01530 125 9 C 1S -0.03428 0.00733 -0.00225 0.01149 0.00773 126 2S -0.15474 0.16635 -0.10204 0.05661 0.10023 127 2PX -0.21561 0.31421 0.30280 0.03418 -0.10292 128 2PY -0.17224 0.17850 -0.20647 0.28520 -0.03979 129 2PZ -0.04080 -0.01519 0.08151 0.05919 -0.20083 130 3S 1.01274 -0.52363 0.48778 -0.92850 -0.18615 131 3PX 0.27874 -0.58319 -0.88634 0.26019 0.19999 132 3PY 0.40317 -0.20935 0.53720 -0.87234 -0.16474 133 3PZ -0.26636 0.07801 -0.55663 0.21321 0.30143 134 4XX 0.02066 0.00171 -0.01687 -0.01318 -0.01607 135 4YY 0.00940 -0.02399 -0.04009 -0.01297 -0.04887 136 4ZZ -0.08219 0.05653 0.04881 0.03078 0.07442 137 4XY -0.02000 0.04143 0.05007 -0.01270 -0.00073 138 4XZ -0.01644 0.00086 -0.04802 0.00567 -0.01530 139 4YZ 0.01288 0.01904 0.00594 0.01966 -0.02733 140 10 H 1S -0.06580 -0.00592 0.07094 -0.05246 0.24875 141 2S -0.12615 -0.11187 -0.25785 0.54760 -0.73272 142 11 H 1S -0.08388 -0.18802 0.05754 -0.00474 -0.23873 143 2S 0.18899 0.20062 0.23066 -0.23253 1.18980 144 12 H 1S 0.02800 0.09884 -0.08319 0.09230 0.13980 145 2S -0.29380 0.11726 0.05958 -0.04932 -0.28292 146 13 H 1S -0.30583 0.13013 0.05023 0.14209 0.10022 147 2S 0.25067 0.03702 0.35688 -0.23404 -0.39560 148 14 C 1S 0.06115 0.01788 -0.00961 0.01454 -0.00867 149 2S 0.24807 -0.06234 0.03571 0.07943 -0.00048 150 2PX -0.28411 -0.16233 -0.01886 0.10848 -0.10656 151 2PY 0.03896 0.09615 0.11354 0.02397 -0.07387 152 2PZ -0.17412 -0.10103 -0.00993 -0.05785 0.01276 153 3S -0.98504 -0.11692 -0.76715 0.30344 -0.61945 154 3PX 0.20460 0.01849 -0.20941 -0.18989 -0.00659 155 3PY 0.08103 -0.04744 -0.30984 -0.10576 0.29568 156 3PZ 0.12094 0.09616 -0.14764 0.43863 -0.29896 157 4XX 0.07463 0.01506 -0.02616 0.01853 -0.02085 158 4YY 0.03415 0.00381 0.01916 0.01256 0.00179 159 4ZZ 0.01424 -0.01170 -0.00808 -0.00744 0.00847 160 4XY -0.03970 -0.01035 0.00486 0.00568 0.01742 161 4XZ 0.08365 0.02010 -0.02165 0.01999 -0.00319 162 4YZ 0.05920 0.00689 -0.01191 0.02054 -0.01439 163 15 H 1S 0.28608 0.09766 0.00243 0.06780 -0.07136 164 2S 0.01642 -0.04458 0.17486 -0.10871 0.02394 165 16 H 1S 0.34195 -0.01873 -0.06881 0.13105 -0.08402 166 2S 0.03784 0.00620 -0.05135 -0.01759 0.03317 167 17 C 1S -0.03020 -0.06837 0.00448 0.00881 0.00875 168 2S -0.03270 -0.22765 0.05138 0.07548 0.15370 169 2PX 0.11127 -0.01445 0.14798 0.01174 -0.07914 170 2PY -0.27560 -0.29097 0.12191 -0.03197 -0.05788 171 2PZ -0.05739 -0.06808 -0.15231 0.00559 -0.05610 172 3S 0.86250 0.14355 -0.44486 -0.37089 -0.39263 173 3PX -0.12105 0.16481 -0.40502 0.13609 0.30961 174 3PY -0.05111 0.49300 -0.12186 0.21002 0.14465 175 3PZ -0.00557 0.23987 0.21034 0.01822 0.30123 176 4XX 0.00541 -0.01635 0.00890 -0.02694 0.01054 177 4YY -0.04300 -0.12474 -0.02245 0.01248 0.00499 178 4ZZ -0.00069 0.00553 0.00639 0.03194 -0.00102 179 4XY 0.01730 0.03766 0.00608 -0.00300 0.00145 180 4XZ -0.03375 -0.07151 0.01323 0.02287 0.03061 181 4YZ -0.01448 -0.06386 0.01004 0.00314 -0.00765 182 18 H 1S -0.08153 -0.36874 0.06948 0.11733 0.13300 183 2S 0.03599 -0.11402 0.10835 -0.14490 -0.21456 184 19 H 1S -0.14551 -0.30337 0.05326 -0.01139 0.06091 185 2S -0.04470 0.09901 -0.02970 0.05677 0.14354 91 92 93 94 95 V V V V V Eigenvalues -- 0.80135 0.81522 0.81924 0.82654 0.83671 1 1 S 1S -0.00642 0.00193 -0.00509 0.00955 -0.00240 2 2S -0.00349 0.00081 -0.03297 0.00608 0.01331 3 2PX -0.01303 0.01322 -0.02750 0.01230 -0.00256 4 2PY 0.03021 0.00067 -0.04117 -0.03258 0.04716 5 2PZ 0.00991 -0.00235 0.02842 0.00575 -0.01537 6 3S -0.17366 0.06403 -0.24254 0.26980 -0.00696 7 3PX 0.07653 -0.06283 0.18768 -0.07040 0.00883 8 3PY -0.16288 -0.01458 0.23320 0.16955 -0.26190 9 3PZ -0.05009 0.01470 -0.17482 -0.03225 0.06834 10 4S 0.00875 -0.18362 0.71759 -0.27134 -0.54945 11 4PX -0.14992 0.10892 -0.46563 0.14113 0.23135 12 4PY -0.09249 -0.16988 0.04139 -0.09823 0.08227 13 4PZ -0.03855 -0.08835 -0.00026 -0.31176 -0.08000 14 5XX 0.16509 0.04933 -0.01030 0.06992 0.03084 15 5YY -0.13742 -0.06816 0.18233 0.18201 -0.14084 16 5ZZ -0.09059 -0.00018 -0.20782 -0.18635 0.05711 17 5XY 0.08895 0.12726 -0.04743 0.04348 -0.01206 18 5XZ -0.05807 0.05295 0.01798 0.17307 -0.09245 19 5YZ 0.01497 -0.05139 -0.11483 -0.20442 0.21065 20 2 O 1S -0.01062 -0.00461 0.02086 0.01496 -0.02085 21 2S 0.19691 0.01558 -0.13399 -0.24438 0.15791 22 2PX -0.09824 -0.00684 -0.06636 0.00956 0.06412 23 2PY 0.11496 0.03029 -0.09452 -0.10518 0.08133 24 2PZ -0.04252 -0.02655 0.05869 0.08468 -0.10062 25 3S -0.17619 0.08337 -0.13480 0.23767 0.02878 26 3PX 0.06961 -0.03020 0.14244 0.00422 -0.12131 27 3PY -0.25473 -0.05330 0.37879 0.36486 -0.39501 28 3PZ 0.11652 0.06865 -0.19390 -0.17018 0.23858 29 4XX 0.04510 -0.00229 -0.04218 -0.06714 0.05278 30 4YY 0.06305 0.01106 -0.03651 -0.07635 0.02694 31 4ZZ 0.06783 -0.00047 -0.02723 -0.07696 0.04715 32 4XY -0.01345 -0.01167 0.00852 0.01125 -0.01583 33 4XZ 0.01064 0.00506 0.00609 -0.00599 -0.01343 34 4YZ 0.00580 0.00374 -0.00817 -0.01587 0.00029 35 3 O 1S 0.00485 0.00185 0.00247 -0.00219 0.00379 36 2S -0.04376 0.03046 0.01632 0.06988 -0.02429 37 2PX 0.05097 0.00464 0.00070 0.08249 -0.02673 38 2PY -0.14679 -0.05804 -0.05058 -0.00457 0.08297 39 2PZ -0.03140 -0.02541 -0.01767 -0.09682 -0.00215 40 3S -0.10527 -0.12685 -0.15167 0.11495 0.09162 41 3PX -0.07245 -0.01466 0.01780 -0.23665 0.04269 42 3PY -0.00174 0.01236 -0.15131 -0.00316 0.03081 43 3PZ -0.20150 -0.02260 0.00748 0.15571 -0.05999 44 4XX -0.00656 -0.00474 -0.00884 0.02765 0.00682 45 4YY -0.00656 0.01665 -0.02199 0.01548 0.00358 46 4ZZ -0.01839 0.01363 0.04135 0.03682 -0.01321 47 4XY -0.02332 0.01001 -0.02330 0.01833 0.02650 48 4XZ 0.00232 0.00668 -0.01196 0.00740 -0.00581 49 4YZ 0.01465 0.00917 -0.01757 -0.00771 0.00843 50 4 C 1S -0.00114 -0.01148 -0.01911 -0.03671 -0.00639 51 2S 0.15984 0.11439 0.10459 0.24877 -0.09072 52 2PX 0.13801 -0.02020 0.09112 -0.16474 -0.18505 53 2PY 0.34011 0.04724 0.01592 -0.58420 -0.42741 54 2PZ 0.05241 0.03152 0.27132 0.12944 0.00498 55 3S -1.22159 -0.49761 0.65542 -0.05768 0.95586 56 3PX -0.54624 -0.06873 -0.10679 0.66182 0.71511 57 3PY -1.76987 -0.48091 0.27979 1.80915 1.92677 58 3PZ 0.53232 0.02733 -1.28533 -0.33080 0.10634 59 4XX 0.00945 0.00631 0.01814 0.03609 -0.00116 60 4YY -0.03456 -0.04758 -0.03434 -0.07995 0.04313 61 4ZZ 0.00322 0.02932 0.01850 0.08575 -0.01352 62 4XY -0.00053 -0.01528 0.01419 -0.04207 0.02757 63 4XZ -0.00982 -0.00098 -0.01132 0.00925 0.00718 64 4YZ -0.00111 0.01187 -0.00315 0.02489 0.05575 65 5 C 1S -0.03432 -0.00272 0.00484 -0.00371 -0.01685 66 2S 0.11302 -0.10900 -0.10075 0.33058 0.09897 67 2PX -0.21949 0.00345 0.18430 -0.00839 -0.14261 68 2PY -0.31005 -0.10057 -0.20175 -0.03175 0.06691 69 2PZ -0.41192 -0.05291 0.08533 -0.06853 -0.17121 70 3S 0.51317 1.07054 0.44882 -1.00581 -0.53371 71 3PX 0.79736 -0.09732 -0.86534 -0.37783 0.25406 72 3PY 0.80880 0.64208 1.39501 0.15411 -0.29402 73 3PZ 2.14430 0.39956 -0.52911 -0.07860 0.17106 74 4XX -0.00789 -0.01001 0.00506 -0.00765 0.02836 75 4YY 0.02192 0.03348 0.05857 0.03641 0.00312 76 4ZZ -0.00432 -0.01678 -0.05972 -0.02178 -0.04189 77 4XY 0.00702 -0.03123 0.00554 -0.03812 -0.02035 78 4XZ -0.00282 -0.00710 0.01672 -0.02727 -0.03067 79 4YZ -0.06237 -0.01413 0.00579 -0.01410 -0.00084 80 6 C 1S -0.00054 -0.00333 0.01420 0.01734 0.00206 81 2S 0.07119 0.10748 0.31546 0.13709 -0.06108 82 2PX -0.12502 0.03179 0.17060 0.09872 -0.02654 83 2PY 0.00466 -0.22969 -0.24063 -0.08441 0.06761 84 2PZ 0.32512 -0.04002 -0.14999 0.12377 -0.01678 85 3S -1.10359 -1.32583 -0.32744 -0.15236 0.22465 86 3PX -0.70545 -0.40861 -0.46278 -0.37810 -0.16889 87 3PY -0.35204 0.92986 1.71586 0.37435 0.11969 88 3PZ -1.82663 0.13744 0.88457 -0.49860 -0.11584 89 4XX 0.01789 0.01965 0.08189 -0.00896 -0.02549 90 4YY -0.04553 -0.02057 -0.02902 0.03084 0.04608 91 4ZZ 0.00126 -0.01062 0.00763 0.02525 -0.02532 92 4XY 0.02369 -0.04603 -0.00935 -0.01939 -0.01166 93 4XZ -0.03160 -0.03639 0.01748 0.02829 -0.01485 94 4YZ 0.03050 -0.03431 0.03012 0.01115 -0.01026 95 7 C 1S 0.00484 -0.00540 0.00781 -0.00728 -0.02125 96 2S -0.12628 0.03017 0.09257 -0.08546 -0.23640 97 2PX 0.29491 0.18273 0.11935 -0.12407 -0.13631 98 2PY 0.24780 0.04947 0.01090 0.12421 0.03516 99 2PZ -0.27378 0.15065 -0.31155 -0.08356 0.05200 100 3S 1.23835 -0.39788 -0.62034 0.66852 0.40675 101 3PX -1.10345 -0.96047 0.26755 0.74167 0.57369 102 3PY -1.48484 -0.51279 0.46627 -0.96804 -0.50997 103 3PZ 0.14522 -0.92595 1.38152 0.32916 0.04923 104 4XX 0.01540 0.01272 0.04525 0.00992 -0.02526 105 4YY -0.00039 0.01525 -0.02124 0.00545 -0.03908 106 4ZZ -0.00734 -0.02883 -0.01353 -0.01801 0.00793 107 4XY -0.00061 -0.04611 -0.02369 0.01963 0.01309 108 4XZ -0.00683 -0.03197 -0.02027 0.02610 -0.01055 109 4YZ 0.04795 -0.03818 0.04041 -0.00907 -0.01829 110 8 C 1S 0.02089 0.01543 -0.00689 0.00931 0.00842 111 2S -0.07807 -0.23106 0.30246 0.02347 -0.32931 112 2PX -0.20686 -0.12243 -0.00804 -0.25774 -0.13680 113 2PY -0.18026 -0.21718 0.25797 -0.21994 0.06571 114 2PZ 0.09492 -0.16132 0.33957 -0.29738 0.03678 115 3S -0.78360 0.67135 -0.28093 -0.57719 1.05395 116 3PX 0.82479 0.30826 -0.21527 1.27275 0.31253 117 3PY 1.29814 1.04703 -1.33486 0.52865 -0.83660 118 3PZ -0.20945 0.25917 -0.91412 0.61290 0.05094 119 4XX -0.03176 -0.01377 -0.03366 -0.04294 -0.00336 120 4YY -0.01738 -0.00669 0.06585 0.02857 0.01143 121 4ZZ 0.03412 -0.00128 -0.00067 -0.02406 -0.02256 122 4XY 0.00894 -0.02506 -0.00862 0.02767 0.05770 123 4XZ 0.01439 0.04135 0.01021 0.05180 -0.00489 124 4YZ 0.01041 0.01190 -0.06311 0.05776 0.05175 125 9 C 1S 0.02083 -0.00850 0.03508 -0.00290 0.02334 126 2S -0.23776 0.01155 -0.10514 -0.03782 -0.29058 127 2PX -0.01056 0.04808 -0.00092 0.03852 -0.21903 128 2PY 0.08062 -0.07366 0.36692 -0.07465 0.22638 129 2PZ 0.00236 0.13454 -0.34179 0.06995 -0.66235 130 3S 1.95305 0.61325 0.15325 -0.27846 -0.92122 131 3PX 0.13960 -0.09952 -0.13861 -0.03665 0.60557 132 3PY 0.64878 0.48349 -1.26411 0.38549 -0.95808 133 3PZ -0.42446 -0.58471 1.54170 0.08666 2.48530 134 4XX -0.02245 0.01203 -0.02698 0.01339 -0.03108 135 4YY 0.01619 0.00851 0.00168 0.02110 -0.07169 136 4ZZ 0.02344 -0.01583 0.01560 -0.05134 0.02656 137 4XY 0.01410 0.02676 0.04718 0.01261 -0.06103 138 4XZ 0.03540 -0.00529 0.00846 -0.03412 0.01050 139 4YZ 0.01451 0.02267 0.02565 -0.02531 -0.09356 140 10 H 1S -0.07580 -0.14864 -0.24284 -0.40418 -0.06387 141 2S -0.84678 -0.00620 0.29436 1.66563 1.01340 142 11 H 1S -0.26703 -0.03168 0.07518 -0.11502 -0.19768 143 2S 1.46249 0.24697 -0.06971 0.34704 0.35169 144 12 H 1S 0.06371 0.17014 -0.21719 0.31890 0.09660 145 2S -0.49696 -0.76511 1.12887 -1.02574 -0.27162 146 13 H 1S 0.02327 -0.17469 0.18574 -0.04549 0.45395 147 2S -0.06813 0.49393 -1.19363 0.18737 -2.00473 148 14 C 1S -0.00362 -0.00384 0.00628 -0.00835 -0.00495 149 2S 0.08876 0.02662 0.20896 0.16162 0.00852 150 2PX -0.04972 -0.03760 0.06839 0.08106 -0.10215 151 2PY -0.31885 0.48601 0.19230 -0.22096 0.21085 152 2PZ -0.18453 0.27403 0.23767 -0.05701 0.09374 153 3S -0.84927 -0.02799 -0.40122 -0.55485 -0.23712 154 3PX -0.32259 0.05481 -0.18447 -0.27582 0.11248 155 3PY 0.88302 -1.30159 -0.75645 0.38854 -0.57227 156 3PZ 0.52168 -0.74214 -0.76504 0.19453 -0.28340 157 4XX 0.00086 -0.00640 -0.01098 0.00717 0.01032 158 4YY -0.00241 -0.03023 0.00368 0.01572 -0.00940 159 4ZZ 0.01872 0.04238 0.03092 -0.01222 0.00102 160 4XY -0.01891 0.06160 -0.00059 -0.00534 0.02652 161 4XZ -0.00528 0.02755 0.01915 -0.02810 0.00607 162 4YZ -0.01066 0.01517 0.03642 0.00791 -0.00532 163 15 H 1S 0.06083 -0.31862 -0.09603 0.05860 -0.09211 164 2S -0.49645 1.00516 0.49735 -0.24050 0.50898 165 16 H 1S -0.13638 0.22374 0.22163 -0.07375 0.00830 166 2S 0.61920 -1.03708 -0.73062 0.28780 -0.32329 167 17 C 1S 0.00842 0.00526 -0.00296 0.00726 -0.00709 168 2S 0.02455 -0.07209 0.09399 -0.24420 -0.15919 169 2PX -0.04297 -0.57771 0.06039 0.09838 -0.05154 170 2PY -0.06969 -0.01451 0.02117 0.08077 0.06483 171 2PZ -0.01280 -0.48150 0.08176 0.04658 -0.03084 172 3S 0.45348 0.51875 -0.46898 0.85545 0.53669 173 3PX 0.44966 1.56494 -0.17420 -0.30504 0.02241 174 3PY 0.07255 -0.01521 0.15798 -0.31687 -0.35546 175 3PZ -0.12931 1.29266 -0.45469 -0.28240 -0.04877 176 4XX 0.01359 -0.01843 0.00250 -0.00155 -0.01549 177 4YY 0.01900 0.00611 0.00911 -0.01081 -0.00293 178 4ZZ -0.02111 0.00558 -0.00353 -0.02558 -0.00116 179 4XY -0.00527 0.05334 0.04162 -0.03523 -0.00168 180 4XZ 0.01649 -0.00145 -0.00030 -0.00191 -0.02553 181 4YZ -0.01446 0.05352 -0.00333 -0.00873 -0.01287 182 18 H 1S 0.02427 0.27355 0.00695 -0.09776 -0.06717 183 2S -0.13353 -1.34561 0.17535 0.30574 0.15025 184 19 H 1S 0.07159 -0.28930 -0.03653 0.14796 -0.02894 185 2S 0.00697 1.18208 -0.10580 -0.38994 0.02977 96 97 98 99 100 V V V V V Eigenvalues -- 0.84863 0.85336 0.86763 0.89041 0.91260 1 1 S 1S -0.00868 0.00009 -0.01040 0.01072 -0.00410 2 2S -0.00725 0.00846 -0.03876 0.01670 -0.01647 3 2PX 0.00317 0.00979 -0.01466 0.02650 0.00600 4 2PY 0.00953 0.01212 0.02764 -0.01382 0.01099 5 2PZ -0.00157 -0.00796 -0.01493 -0.00154 0.00460 6 3S -0.25985 0.02318 -0.36787 0.36081 -0.15047 7 3PX -0.01902 -0.07394 0.12405 -0.13072 0.00111 8 3PY -0.07741 -0.07146 -0.16693 0.08908 -0.05279 9 3PZ 0.02244 0.06006 0.11098 0.02571 -0.02630 10 4S 0.45280 -0.03214 0.38124 -0.83927 0.20904 11 4PX -0.19588 0.00501 -0.34015 0.46983 -0.11845 12 4PY -0.17746 -0.00582 -0.15083 -0.20122 -0.08392 13 4PZ 0.30703 -0.05913 -0.11242 -0.49885 0.05547 14 5XX -0.02821 0.08737 0.10128 0.02992 0.02838 15 5YY -0.24064 -0.02260 -0.13059 0.23711 -0.09414 16 5ZZ 0.23229 -0.04093 -0.14235 -0.26500 -0.00047 17 5XY 0.28587 0.09982 0.28097 0.30168 0.14679 18 5XZ -0.11064 0.10657 0.39953 0.30656 0.00529 19 5YZ 0.07621 0.10026 0.15765 0.20359 -0.04280 20 2 O 1S -0.01187 -0.00476 -0.01166 -0.00289 -0.00332 21 2S 0.08057 0.09768 0.18485 0.08126 -0.03177 22 2PX 0.04774 0.00582 -0.06257 0.09638 -0.05538 23 2PY 0.11756 0.05782 0.24881 -0.00204 0.01021 24 2PZ -0.06155 -0.02599 -0.07312 -0.02313 -0.04609 25 3S 0.04295 -0.09764 -0.17480 -0.00620 0.09249 26 3PX -0.08848 -0.01675 0.08522 -0.20927 0.05073 27 3PY -0.30682 -0.15907 -0.50194 0.02136 -0.05482 28 3PZ 0.15975 0.05557 0.16170 0.01644 0.08230 29 4XX 0.03281 0.03467 0.05677 0.02026 -0.00906 30 4YY 0.03979 0.01816 0.03295 -0.00461 -0.00812 31 4ZZ 0.00903 0.03927 0.09624 0.04162 -0.01089 32 4XY -0.05077 -0.00488 0.00335 -0.02289 -0.02096 33 4XZ 0.02061 0.01003 0.04287 0.02445 0.00851 34 4YZ 0.02597 -0.00928 0.00142 -0.06087 0.01622 35 3 O 1S 0.01023 0.00883 0.01663 0.01234 0.00575 36 2S -0.11149 -0.05523 -0.29501 -0.15610 0.03736 37 2PX 0.00470 -0.03329 -0.14326 -0.05034 -0.04703 38 2PY -0.06218 0.02107 -0.12225 -0.11030 -0.04843 39 2PZ 0.12726 0.05535 -0.05141 0.01338 -0.04927 40 3S 0.05098 -0.06587 0.43599 0.36146 -0.32543 41 3PX 0.01152 0.04468 -0.12093 -0.14389 0.13942 42 3PY -0.15854 -0.11945 0.01998 -0.03702 0.03725 43 3PZ -0.16575 -0.14220 -0.07997 0.01832 0.02898 44 4XX -0.00866 -0.01308 -0.09406 0.00739 -0.01260 45 4YY -0.05054 -0.00227 -0.05321 -0.03804 0.01670 46 4ZZ -0.01401 -0.01940 -0.04730 -0.03686 0.02517 47 4XY 0.03293 0.03337 0.02070 0.00590 -0.01504 48 4XZ 0.01132 0.02273 -0.01616 0.04909 -0.00503 49 4YZ -0.00873 0.01012 0.01890 0.05637 0.01237 50 4 C 1S -0.01083 -0.00285 -0.00270 0.00721 0.00359 51 2S -0.00169 -0.02510 0.18044 -0.16070 -0.00699 52 2PX 0.01137 0.08781 -0.13040 0.09283 0.06900 53 2PY -0.10778 0.25008 -0.33951 0.28191 0.20367 54 2PZ 0.25147 0.03646 -0.19804 0.01253 -0.00774 55 3S 0.28516 -0.71040 0.25224 0.27530 0.16572 56 3PX -0.13403 -0.34049 0.72319 0.00915 -0.18879 57 3PY 0.18373 -1.21707 1.06005 -0.73292 -0.53382 58 3PZ -1.77087 0.10642 1.12671 -0.37616 0.10219 59 4XX 0.02462 -0.01124 0.04207 -0.05458 -0.00036 60 4YY -0.03889 -0.01205 -0.04321 0.07541 -0.00740 61 4ZZ 0.01128 -0.01788 0.04493 -0.04113 -0.00577 62 4XY -0.04276 -0.01941 0.02471 -0.04527 0.03928 63 4XZ 0.04086 -0.01701 0.02023 0.02163 -0.00234 64 4YZ -0.03406 -0.02011 0.04638 -0.01014 0.00727 65 5 C 1S -0.00457 -0.01726 0.00783 0.00145 -0.01325 66 2S 0.23187 -0.04140 -0.18726 -0.12365 -0.44324 67 2PX 0.09179 -0.05443 0.17660 0.12881 0.17189 68 2PY -0.48641 -0.13802 0.21984 -0.02394 0.19303 69 2PZ -0.03107 -0.14000 -0.02638 0.08059 0.25644 70 3S -0.96616 1.48622 0.51122 0.08195 1.63989 71 3PX -0.43536 -0.08723 -0.62044 -0.55571 -0.16069 72 3PY 2.09710 0.86691 -0.92994 0.10160 0.05539 73 3PZ -0.56797 0.64267 0.21375 -0.25938 -0.27297 74 4XX 0.00212 0.01624 0.00840 -0.06478 -0.02277 75 4YY 0.01532 -0.01057 -0.00557 -0.01073 -0.00025 76 4ZZ -0.00142 0.00203 -0.02532 0.04294 -0.03416 77 4XY 0.00075 -0.06475 0.00337 0.03932 0.02335 78 4XZ -0.05761 -0.02412 0.01648 -0.03583 0.03416 79 4YZ 0.00360 -0.02450 -0.00397 0.03883 0.00825 80 6 C 1S 0.01519 0.00214 0.00593 -0.01214 0.00283 81 2S 0.16443 -0.07403 0.11870 -0.17853 0.04257 82 2PX 0.26114 -0.01653 0.03777 -0.06158 0.10595 83 2PY -0.00826 -0.26713 -0.00701 0.04957 -0.04025 84 2PZ -0.27943 -0.13124 -0.04142 -0.04291 -0.00377 85 3S -0.60724 0.55181 0.07745 0.17194 -0.50044 86 3PX -1.00666 -0.29229 0.45491 0.64147 -0.23401 87 3PY 0.28624 2.08390 0.01873 0.17453 0.25798 88 3PZ 0.86924 0.97606 0.02314 0.60760 0.25825 89 4XX 0.04586 -0.03114 0.01783 -0.00758 0.03084 90 4YY -0.03757 0.03661 0.01446 -0.02991 -0.02324 91 4ZZ 0.01706 -0.01184 0.00541 -0.01921 -0.00230 92 4XY 0.01885 -0.00601 0.00463 0.02047 0.01102 93 4XZ 0.04589 -0.00332 0.01898 -0.01248 -0.00780 94 4YZ -0.01478 0.01742 0.01756 -0.02582 0.03322 95 7 C 1S 0.00544 -0.00230 0.02175 -0.01892 0.00666 96 2S 0.09532 0.00252 0.25684 -0.37209 0.02734 97 2PX -0.17189 -0.27350 0.13667 -0.26552 0.05646 98 2PY -0.15062 0.02506 -0.12109 0.26776 -0.16321 99 2PZ 0.30282 -0.20228 -0.08000 -0.01666 -0.01120 100 3S -0.18592 -0.49799 -0.88303 0.42081 -0.27348 101 3PX 0.48895 1.97195 -0.88700 1.18629 -0.39222 102 3PY 0.76092 -0.25505 0.81074 -0.76538 0.36463 103 3PZ -0.70089 1.41446 0.29239 0.48188 -0.15373 104 4XX -0.00508 -0.02657 0.03472 0.03665 0.01905 105 4YY 0.02368 0.01749 0.03222 -0.11068 0.00884 106 4ZZ 0.01006 0.00101 -0.00635 0.00089 -0.01178 107 4XY 0.00186 0.00850 -0.00103 -0.01415 -0.00383 108 4XZ -0.01612 -0.02981 0.01093 0.01296 -0.01381 109 4YZ 0.01299 -0.00154 0.03430 -0.05420 0.04380 110 8 C 1S 0.01198 0.00509 -0.01791 -0.02944 0.00033 111 2S -0.15491 0.06908 0.34589 0.18558 -0.38302 112 2PX 0.07370 -0.04355 0.14028 -0.25391 -0.18624 113 2PY -0.00572 -0.07098 -0.04526 0.19571 -0.22089 114 2PZ -0.06239 -0.21513 0.28568 -0.18081 -0.22179 115 3S 0.83849 -1.52516 -0.60899 -0.26335 1.21089 116 3PX -0.55205 0.81716 -0.58809 1.39090 -0.05734 117 3PY -0.32444 0.10882 0.64407 -1.12076 0.49452 118 3PZ 0.61828 0.75104 -1.28053 0.42304 0.12121 119 4XX 0.00026 -0.01274 -0.00925 -0.03904 -0.05455 120 4YY 0.01376 -0.03340 0.03184 0.04563 -0.01193 121 4ZZ 0.01259 0.03104 -0.02416 -0.04924 0.00878 122 4XY -0.01046 0.04776 -0.03076 0.00717 0.00679 123 4XZ -0.04207 0.00904 0.05660 0.04145 0.04505 124 4YZ -0.00480 0.03236 -0.01758 -0.00790 0.03163 125 9 C 1S -0.00066 0.00130 -0.00940 0.01466 0.00315 126 2S 0.08292 -0.03911 0.12385 0.00488 -0.10520 127 2PX 0.18619 0.08049 -0.14708 0.00734 -0.04779 128 2PY 0.13783 -0.03182 -0.28213 0.07508 0.06381 129 2PZ 0.00128 0.28706 -0.01450 -0.03284 -0.27761 130 3S 0.14008 0.74161 -0.78026 -0.08244 0.54371 131 3PX -0.70313 -0.32903 0.73160 -0.52698 0.14675 132 3PY -1.06760 0.36538 1.29079 -0.48859 -0.06822 133 3PZ -0.02576 -1.24442 0.64891 0.02918 0.57179 134 4XX -0.01567 0.00753 0.00800 0.01595 -0.03217 135 4YY 0.02184 0.01229 0.02836 -0.01636 -0.02635 136 4ZZ 0.00036 0.01469 -0.03978 0.02089 0.03395 137 4XY 0.01199 -0.00697 0.02822 0.01007 0.01652 138 4XZ -0.01911 0.02970 -0.07027 0.05439 -0.00454 139 4YZ 0.05675 0.01301 -0.01366 -0.03046 0.00159 140 10 H 1S -0.13798 0.08290 -0.18391 0.15337 -0.01061 141 2S 0.32440 -0.70070 0.88305 -0.66092 -0.39832 142 11 H 1S -0.15710 -0.23913 0.14277 0.09415 0.30579 143 2S 0.72740 0.59880 -0.50335 -0.38422 -0.72032 144 12 H 1S -0.02623 0.16571 -0.18381 -0.08527 0.33489 145 2S -0.05335 -0.57473 0.70439 -0.08499 -0.75387 146 13 H 1S -0.07634 -0.07667 -0.13908 0.06095 0.06701 147 2S 0.05557 0.70494 0.08966 -0.15745 -0.55908 148 14 C 1S 0.00640 -0.00037 0.00303 -0.00567 0.01450 149 2S 0.32537 -0.04622 -0.11308 0.11283 -0.65603 150 2PX 0.20469 -0.03747 -0.05106 0.13159 0.24127 151 2PY -0.28258 0.50165 -0.03811 -0.13571 -0.09044 152 2PZ -0.09603 0.29669 0.06170 -0.01376 0.12531 153 3S -0.65275 -0.18044 0.45137 0.42920 1.33477 154 3PX -0.39854 0.09042 0.08130 0.08121 -0.26055 155 3PY 0.74820 -1.67775 0.02395 0.13804 0.03178 156 3PZ -0.09660 -0.97507 -0.01391 0.13348 -0.29768 157 4XX -0.00025 -0.00964 -0.00626 0.01949 -0.08010 158 4YY 0.03551 -0.01121 0.00718 0.02144 0.01371 159 4ZZ 0.01253 0.01543 -0.02226 -0.01522 -0.03261 160 4XY -0.01571 0.04620 -0.00045 -0.04394 -0.03693 161 4XZ 0.01103 0.02583 0.00097 -0.00982 -0.00454 162 4YZ 0.02032 0.02611 -0.00146 -0.02767 0.04312 163 15 H 1S 0.05144 -0.22913 0.01050 0.16406 0.32847 164 2S -0.46863 1.26701 -0.10837 -0.30893 -0.61757 165 16 H 1S 0.06894 0.29626 -0.00830 -0.14723 0.23608 166 2S 0.18821 -1.26309 -0.02986 0.28416 -0.63169 167 17 C 1S 0.00899 0.00044 -0.00373 -0.00953 0.01572 168 2S -0.01719 0.02015 0.22227 -0.45393 -0.49686 169 2PX 0.01909 0.45559 0.06199 -0.21632 0.14283 170 2PY -0.00826 0.02532 -0.02180 0.27872 -0.33644 171 2PZ 0.04141 0.45500 0.03930 -0.06484 -0.02490 172 3S -0.29762 0.29299 -0.80665 1.05752 0.86942 173 3PX -0.27924 -1.55141 0.00927 0.39852 -0.11122 174 3PY 0.15526 -0.12585 0.35227 -0.79496 0.57929 175 3PZ 0.15908 -1.38555 -0.05042 0.05094 0.12001 176 4XX 0.00651 0.01120 0.02542 -0.04985 0.01879 177 4YY -0.00926 0.00492 0.00528 0.00897 -0.06492 178 4ZZ 0.00101 -0.00843 -0.00545 -0.01174 -0.03376 179 4XY 0.00623 -0.05530 0.01161 0.01737 -0.01609 180 4XZ 0.01681 -0.01616 0.00419 -0.05233 0.07454 181 4YZ 0.01578 -0.04062 -0.01456 0.00017 -0.02767 182 18 H 1S 0.08857 -0.34551 -0.06582 -0.12061 0.21512 183 2S -0.07198 1.36332 0.04312 -0.01684 -0.54007 184 19 H 1S -0.00510 0.24430 -0.03716 -0.13361 0.40991 185 2S -0.09284 -1.35425 0.02240 0.47395 -0.75203 101 102 103 104 105 V V V V V Eigenvalues -- 0.93213 0.94936 0.95610 0.96985 0.98323 1 1 S 1S 0.00651 0.00445 0.00937 -0.00128 -0.00012 2 2S 0.00789 0.01390 0.01845 0.00350 -0.00509 3 2PX 0.00283 -0.00100 0.00496 0.00041 0.00348 4 2PY -0.01615 -0.02610 0.02038 -0.00343 -0.00322 5 2PZ 0.00478 0.01134 -0.02472 0.00898 -0.01326 6 3S 0.20581 0.15017 0.31605 -0.04693 -0.01599 7 3PX -0.01109 -0.00674 -0.04873 0.00175 -0.01180 8 3PY 0.10576 0.14669 -0.12196 0.05263 0.00625 9 3PZ -0.05014 -0.08751 0.13073 -0.09137 0.09042 10 4S -0.47683 -0.19401 -0.82499 0.25492 -0.04383 11 4PX 0.28697 0.18438 0.40836 -0.10468 0.11458 12 4PY -0.35031 -0.19467 -0.02895 -0.21935 -0.13167 13 4PZ -0.05972 -0.04367 -0.31154 0.21391 -0.07769 14 5XX -0.24716 -0.04617 -0.02264 -0.00295 -0.03494 15 5YY 0.06688 0.10560 -0.06256 -0.10614 0.03708 16 5ZZ 0.19409 0.01067 0.12213 0.16697 -0.01628 17 5XY 0.24259 0.11458 -0.05755 0.22654 0.14467 18 5XZ 0.07042 -0.06481 0.21218 -0.10990 0.03375 19 5YZ -0.19069 -0.08087 -0.07338 -0.23130 0.08004 20 2 O 1S 0.00364 0.00706 -0.00768 0.00299 -0.00478 21 2S -0.19448 0.00621 -0.06519 -0.03643 -0.06483 22 2PX -0.14288 0.12611 -0.00708 -0.01550 0.19140 23 2PY -0.07382 -0.05472 0.02055 -0.17112 0.11527 24 2PZ 0.05107 0.06793 0.04963 -0.07840 0.16500 25 3S 0.40280 -0.02953 0.26274 0.06959 0.18466 26 3PX 0.10659 -0.19658 -0.00410 -0.01754 -0.26841 27 3PY 0.25246 0.22874 -0.08360 0.32049 -0.18123 28 3PZ -0.09351 -0.13619 0.01579 0.07952 -0.18294 29 4XX -0.08955 -0.01355 -0.02352 -0.03004 -0.01927 30 4YY -0.02953 0.02325 -0.02357 0.03480 -0.04361 31 4ZZ -0.06928 -0.01017 -0.03162 -0.05266 -0.00108 32 4XY -0.01989 -0.02854 0.02926 -0.04272 -0.03033 33 4XZ 0.00494 0.00462 -0.01950 0.02058 0.01176 34 4YZ 0.01226 -0.01848 0.01103 0.03182 -0.01479 35 3 O 1S -0.00003 -0.00265 -0.00972 -0.00067 0.00477 36 2S 0.02099 -0.05637 -0.00135 -0.17217 0.18995 37 2PX 0.10820 0.13557 0.10446 -0.00747 0.05220 38 2PY -0.16225 0.03866 0.04880 0.11821 -0.09940 39 2PZ -0.00264 0.14002 -0.06243 0.24940 -0.15235 40 3S 0.15727 0.43654 0.36493 0.24921 -0.26281 41 3PX -0.20268 -0.35088 -0.23667 0.03630 -0.17519 42 3PY 0.15267 -0.00086 -0.08466 -0.09764 0.13340 43 3PZ 0.08430 -0.16609 0.20713 -0.32750 0.27269 44 4XX 0.04856 0.03631 -0.01213 -0.05549 0.07840 45 4YY 0.00899 -0.02402 0.01755 -0.04673 0.07084 46 4ZZ -0.01631 -0.04181 -0.00680 -0.06391 0.04668 47 4XY -0.02203 0.00019 0.06148 -0.03630 0.03227 48 4XZ 0.01118 0.01383 0.01380 -0.00867 0.02706 49 4YZ 0.02202 0.03635 -0.04055 0.05564 -0.01206 50 4 C 1S 0.00645 0.01375 -0.02594 0.00889 -0.00376 51 2S -0.27172 0.27855 -1.04189 0.21745 -0.14569 52 2PX 0.01805 -0.11839 0.00980 0.02086 0.05217 53 2PY 0.10528 -0.10999 0.08997 0.06733 0.06835 54 2PZ -0.15523 -0.19158 -0.06574 -0.20148 -0.00721 55 3S 1.60799 -0.32057 3.01916 0.00161 0.62547 56 3PX 0.34413 0.70521 0.15176 0.31005 -0.10220 57 3PY -0.18977 0.28848 0.13756 -0.42563 0.09726 58 3PZ 0.76866 1.21582 0.27456 1.58621 -0.12476 59 4XX -0.01830 -0.02125 -0.00001 0.00256 -0.01062 60 4YY 0.00090 0.05026 -0.06949 0.00009 -0.00317 61 4ZZ 0.00426 0.03117 -0.06533 0.02456 -0.00120 62 4XY -0.02824 -0.05015 0.00435 -0.02414 -0.00889 63 4XZ 0.05565 0.06637 -0.03941 0.07211 -0.01552 64 4YZ 0.01682 0.01038 -0.00205 0.03473 -0.01282 65 5 C 1S 0.00148 -0.00057 0.00517 -0.01505 0.01512 66 2S 0.06407 0.34827 0.16612 -0.34681 0.23344 67 2PX 0.06635 -0.06342 0.01144 0.16510 -0.01576 68 2PY -0.09493 -0.05281 -0.13868 0.13766 0.09460 69 2PZ 0.06719 -0.25672 0.01563 0.05944 0.14145 70 3S -0.70293 -1.02752 -0.78113 1.60619 -0.67875 71 3PX -0.29124 -0.10362 -0.34044 -0.26824 -0.18036 72 3PY -0.48132 -0.98513 0.54521 -0.95272 -0.42220 73 3PZ -0.25555 0.71996 -0.10325 0.29587 -0.73702 74 4XX -0.04117 -0.03037 0.01190 -0.05740 -0.01412 75 4YY 0.00972 0.00444 -0.02406 0.02066 0.01334 76 4ZZ 0.00963 0.04349 -0.00031 0.00000 0.02406 77 4XY 0.04142 -0.00008 -0.06634 0.05241 -0.03274 78 4XZ -0.03064 -0.07573 -0.01333 -0.03682 -0.00309 79 4YZ -0.04109 -0.06304 0.03791 -0.01994 0.01015 80 6 C 1S -0.02264 -0.02288 0.02109 0.00292 -0.00418 81 2S -0.42542 -0.61307 0.14543 0.27225 0.01014 82 2PX -0.38146 -0.11643 0.17603 -0.05457 -0.06320 83 2PY -0.10327 0.01256 -0.11560 0.22265 -0.08374 84 2PZ -0.21689 -0.09264 0.38468 0.10543 -0.08114 85 3S 0.98238 1.73825 0.10877 -1.06151 0.74117 86 3PX 2.23938 1.22463 -1.17807 0.46480 0.96534 87 3PY -0.15153 -0.23371 0.23834 -0.55992 0.40550 88 3PZ 1.37504 0.45301 -1.39706 -0.22616 0.96022 89 4XX -0.02788 -0.02744 0.00269 0.04828 -0.01520 90 4YY -0.04783 -0.02844 0.03320 -0.01854 0.00926 91 4ZZ 0.00528 -0.02849 0.01451 -0.03132 0.01036 92 4XY 0.03403 0.00698 -0.05841 -0.02345 -0.02113 93 4XZ -0.04619 -0.03555 0.08830 -0.00206 -0.00142 94 4YZ 0.01265 -0.03916 -0.03895 -0.01954 0.01394 95 7 C 1S 0.01480 -0.00472 -0.00217 -0.00715 0.00469 96 2S 0.46533 -0.30291 0.04776 -0.14117 -0.09456 97 2PX -0.23451 0.01674 0.08327 0.18674 -0.02354 98 2PY -0.17034 -0.04113 0.03498 0.29477 -0.18707 99 2PZ 0.05091 -0.02601 0.20695 0.20275 -0.09129 100 3S -2.19512 0.25507 -0.08303 -0.61343 -0.05118 101 3PX -0.15885 -0.19197 -0.51581 -0.75764 0.39555 102 3PY 1.54141 0.95468 -0.72705 -0.96800 1.23296 103 3PZ 0.33494 0.49001 -0.68813 -0.58901 0.84914 104 4XX 0.02315 -0.02495 -0.01352 -0.00161 -0.00615 105 4YY 0.05515 -0.00321 0.02300 -0.04960 0.02141 106 4ZZ -0.03974 -0.02333 0.00399 0.01529 -0.02478 107 4XY -0.02222 -0.01475 0.03895 0.04212 0.00088 108 4XZ -0.02518 -0.03088 0.04214 -0.04181 -0.00324 109 4YZ -0.01000 -0.04668 -0.01994 0.01034 -0.01102 110 8 C 1S -0.00294 0.00241 -0.01150 0.01624 -0.00397 111 2S -0.00551 0.35776 0.29752 0.03452 0.20733 112 2PX -0.04684 0.05064 0.09673 0.02411 0.09119 113 2PY -0.19795 0.17175 -0.16229 -0.12738 -0.05358 114 2PZ 0.14038 0.30842 0.17051 0.09250 0.04486 115 3S 0.10967 -1.02240 -1.04773 -0.62398 -0.67008 116 3PX -0.29360 -0.06530 -0.08635 -0.33529 -0.23848 117 3PY 1.15567 -0.12133 1.11669 1.12963 0.00616 118 3PZ -1.21075 -0.91615 -1.02127 -0.60020 -0.42342 119 4XX 0.01552 0.05288 0.05045 0.01128 0.01574 120 4YY -0.00465 0.01944 0.01139 -0.00385 0.01108 121 4ZZ -0.01807 -0.01921 -0.05045 0.01756 -0.01940 122 4XY 0.01102 0.01008 -0.03022 0.03137 -0.00971 123 4XZ 0.05552 -0.02348 -0.00296 -0.01580 -0.02421 124 4YZ 0.04554 -0.03152 0.02491 0.00611 -0.01414 125 9 C 1S -0.01303 0.00384 -0.02130 0.00732 -0.00367 126 2S -0.39309 0.29300 -0.61585 0.28871 -0.17952 127 2PX -0.10151 -0.01756 -0.12173 -0.01769 -0.02486 128 2PY -0.12875 -0.07164 -0.20176 -0.09584 0.02500 129 2PZ -0.36395 0.05143 -0.06063 -0.13344 -0.01021 130 3S 0.97802 -1.09245 1.13075 -0.45059 0.45655 131 3PX 0.73034 0.26373 0.70076 0.68491 0.11559 132 3PY 1.31423 0.86387 1.38705 1.35089 0.13435 133 3PZ 1.10801 0.11245 0.31494 0.27142 -0.05665 134 4XX -0.03553 0.00337 -0.01175 -0.02864 -0.00535 135 4YY -0.02005 0.04550 -0.03936 0.06175 -0.00171 136 4ZZ -0.02417 -0.01548 -0.03912 0.00066 -0.01842 137 4XY -0.01133 -0.01676 -0.03320 -0.03488 0.00358 138 4XZ -0.01494 0.02781 -0.05691 0.04101 -0.00447 139 4YZ -0.02629 -0.03325 -0.04242 -0.01236 -0.00990 140 10 H 1S -0.04262 0.00344 0.13626 -0.16865 0.05343 141 2S -0.33813 0.30576 -0.62273 -0.09462 -0.12148 142 11 H 1S -0.00593 -0.42041 -0.18423 -0.04220 0.05213 143 2S -0.07491 0.73166 0.43999 -0.65096 -0.43140 144 12 H 1S 0.06621 -0.30596 -0.08564 0.18438 -0.11062 145 2S -0.05674 0.97580 0.46469 -0.06088 0.60353 146 13 H 1S 0.05791 0.05829 0.08680 0.06066 0.10170 147 2S -0.75518 0.21717 -0.32563 0.03828 -0.11780 148 14 C 1S -0.00453 0.00919 0.01215 -0.00328 -0.01427 149 2S -0.24431 -0.53370 0.33552 0.53131 0.71411 150 2PX -0.13985 0.20126 0.32898 -0.05356 -0.34928 151 2PY -0.04980 -0.00263 -0.02546 0.18313 0.09208 152 2PZ -0.15803 0.20498 0.16986 0.11100 -0.14959 153 3S 1.77250 1.59608 -1.44828 -0.43130 -1.13630 154 3PX 0.82069 -0.10581 -1.29710 0.23564 1.04901 155 3PY 0.10776 -0.20189 0.19684 -0.54265 -0.60082 156 3PZ 0.66424 -0.25168 -0.42011 -0.21063 0.28683 157 4XX 0.01891 -0.04661 -0.00168 0.05896 0.07259 158 4YY -0.05325 0.01172 0.06241 0.02556 -0.03556 159 4ZZ 0.02046 -0.02697 -0.03218 0.00066 0.05875 160 4XY 0.02232 0.01314 0.01187 -0.03654 0.01259 161 4XZ 0.02342 0.00183 -0.01315 0.03003 -0.01093 162 4YZ -0.04619 0.02862 0.09456 -0.03307 -0.06115 163 15 H 1S -0.23135 0.22764 0.18076 -0.04898 -0.38460 164 2S 0.08141 -0.30989 -0.45428 0.53902 1.46535 165 16 H 1S -0.00390 0.30068 0.22135 -0.29955 -0.35917 166 2S 0.30021 -0.82753 -0.47965 0.14790 0.82420 167 17 C 1S -0.00131 0.01233 0.00028 -0.00031 0.01339 168 2S 0.54960 -0.22257 -0.30752 -0.38200 -0.49126 169 2PX 0.04039 0.03660 0.07844 0.24996 0.10996 170 2PY 0.07651 -0.23965 0.08716 0.14097 -0.46876 171 2PZ -0.05698 -0.14760 0.02175 0.17720 -0.05021 172 3S -1.51301 -0.21128 0.98311 1.31020 0.58820 173 3PX -0.08251 0.01006 -0.08199 -0.47499 -0.65376 174 3PY 0.29036 0.73943 -0.34519 -0.55535 1.34427 175 3PZ 0.26878 0.35754 -0.03624 -0.61925 -0.08652 176 4XX 0.04328 0.00833 -0.01384 -0.02532 0.02219 177 4YY 0.05319 -0.04391 -0.02414 0.01681 -0.07794 178 4ZZ -0.01659 0.00407 -0.00607 -0.03543 -0.01484 179 4XY -0.03294 0.00650 0.01631 0.02065 0.00615 180 4XZ -0.00341 0.05598 -0.01729 -0.03551 0.09109 181 4YZ -0.00106 0.01227 0.03889 0.01156 0.01261 182 18 H 1S -0.27869 0.28604 0.12049 0.08725 0.39210 183 2S 0.29004 -0.73887 -0.17412 0.33739 -0.81379 184 19 H 1S -0.00682 0.25885 -0.16172 -0.09889 0.37342 185 2S 0.15190 -0.27258 0.07089 -0.41031 -1.44038 106 107 108 109 110 V V V V V Eigenvalues -- 0.99813 1.02394 1.06489 1.08332 1.08909 1 1 S 1S 0.01081 -0.00070 0.00511 0.00129 -0.00013 2 2S 0.03210 0.01028 0.04900 0.03052 -0.02157 3 2PX -0.00317 -0.01220 -0.00217 0.00050 0.01531 4 2PY 0.00124 -0.01907 0.02364 0.01423 -0.01004 5 2PZ -0.00569 -0.01618 -0.02598 0.01944 -0.01364 6 3S 0.41032 0.02954 0.26585 0.11938 -0.06339 7 3PX -0.00819 0.06900 -0.01065 0.00921 -0.05553 8 3PY 0.02048 0.13584 -0.05100 0.00016 0.03456 9 3PZ 0.01361 0.09085 0.11915 -0.13442 0.09135 10 4S -0.94901 -0.27389 -0.65058 -0.19822 0.29080 11 4PX 0.42280 0.38987 0.47534 0.31366 0.06052 12 4PY 0.21765 0.01642 0.00748 0.40628 0.06142 13 4PZ -0.31537 0.04425 -0.18761 0.53715 -0.40571 14 5XX -0.07075 -0.40672 0.09305 0.08246 0.01239 15 5YY -0.04236 0.05829 -0.11754 0.05804 -0.04865 16 5ZZ 0.13536 0.30152 0.14618 -0.08664 0.00394 17 5XY -0.21758 -0.00390 0.21937 -0.03789 0.10394 18 5XZ 0.23903 0.07798 0.09461 -0.19851 -0.01589 19 5YZ -0.09773 0.13382 0.00008 0.10699 -0.09882 20 2 O 1S 0.00317 -0.00062 -0.00822 0.00528 0.00887 21 2S 0.15966 0.05165 0.00046 0.20111 0.02183 22 2PX -0.16876 0.11784 0.43560 0.29763 0.32274 23 2PY -0.21931 -0.00384 -0.27882 -0.03158 -0.14000 24 2PZ -0.35087 0.10045 0.04015 0.46168 -0.50878 25 3S -0.26607 -0.04944 0.14622 -0.39641 -0.23211 26 3PX 0.20659 -0.20263 -0.64702 -0.43650 -0.44269 27 3PY 0.31891 0.02332 0.28096 0.02882 0.26450 28 3PZ 0.45606 -0.13818 0.01910 -0.71846 0.69640 29 4XX 0.03390 -0.01699 -0.02067 0.03152 0.02772 30 4YY 0.09082 0.02016 0.00448 0.03846 0.05349 31 4ZZ 0.00697 0.02685 -0.02620 0.09142 -0.02658 32 4XY 0.06479 -0.00076 -0.05470 -0.03068 -0.02711 33 4XZ -0.02212 0.01070 0.03598 0.00341 0.04533 34 4YZ 0.01818 -0.00002 0.01217 -0.04936 0.03908 35 3 O 1S -0.00368 0.01129 0.01133 -0.01180 -0.00046 36 2S -0.25429 0.27755 0.08951 -0.32797 0.08627 37 2PX -0.20434 -0.13647 -0.23385 -0.05219 -0.01759 38 2PY 0.07997 -0.24665 0.03907 0.01508 -0.06924 39 2PZ 0.11969 -0.40970 0.04204 0.18514 -0.11421 40 3S 0.37027 -0.95693 -0.36775 0.67549 -0.07819 41 3PX 0.49154 0.41526 0.43989 0.31515 -0.08022 42 3PY -0.15423 0.39220 -0.02928 0.05286 0.08616 43 3PZ -0.20907 0.39989 -0.15450 -0.35047 0.24507 44 4XX -0.11090 0.09817 0.00703 -0.15404 0.04012 45 4YY -0.08195 0.09678 0.03359 -0.13692 0.01380 46 4ZZ -0.04991 0.05913 0.05267 -0.02137 0.01699 47 4XY -0.02858 -0.02265 0.05198 -0.00208 0.00458 48 4XZ -0.04975 -0.00219 -0.02509 -0.01725 -0.00944 49 4YZ 0.01650 -0.02716 0.04282 -0.00498 -0.05181 50 4 C 1S -0.01475 0.00213 0.00203 -0.02302 -0.01529 51 2S -0.34432 -0.10344 0.43387 -0.68518 -0.45303 52 2PX -0.01228 -0.05067 0.07189 -0.08299 -0.05341 53 2PY -0.10995 -0.01785 0.04047 -0.03088 0.05963 54 2PZ 0.08732 -0.00735 0.20144 -0.07210 -0.12851 55 3S 0.66806 0.88799 -2.31041 2.04236 1.75408 56 3PX -0.11608 -0.32241 -0.81849 0.36620 0.26868 57 3PY -0.10687 -0.36121 -0.52862 -0.41447 -0.15922 58 3PZ -0.42937 0.29210 -1.17525 1.17438 0.88292 59 4XX 0.01541 0.00543 0.00776 0.02937 -0.00854 60 4YY -0.03016 -0.07211 0.02844 -0.08879 -0.07615 61 4ZZ -0.03728 0.06151 -0.00952 -0.03778 0.02391 62 4XY -0.00089 0.03826 0.01314 0.01373 -0.00141 63 4XZ -0.01020 -0.00840 -0.04724 0.00680 -0.00784 64 4YZ 0.03315 0.04891 -0.03058 0.05785 0.02148 65 5 C 1S -0.01354 -0.00111 0.00313 -0.03301 0.00855 66 2S -0.31857 -0.06218 0.01529 -0.51702 0.18665 67 2PX -0.09308 -0.35725 -0.08402 0.10298 0.11321 68 2PY -0.19551 -0.20248 0.06835 -0.04436 0.07634 69 2PZ -0.19064 -0.08654 -0.02273 -0.01739 0.17696 70 3S 1.08673 -0.02225 0.90598 2.20570 -0.23270 71 3PX 0.10811 1.49281 0.50373 -0.11134 -0.21288 72 3PY 1.25988 0.56863 0.67403 0.64778 -0.24083 73 3PZ 0.37305 0.19080 0.26894 0.62884 -0.16891 74 4XX 0.05402 0.00776 0.05601 0.04693 0.01989 75 4YY -0.00613 0.06680 0.00493 -0.01754 0.01751 76 4ZZ -0.04533 -0.05282 0.02041 -0.08071 -0.03279 77 4XY 0.05120 0.05695 -0.02856 0.00903 -0.02829 78 4XZ 0.02222 0.05750 0.04690 0.02425 -0.00215 79 4YZ 0.04211 -0.03218 0.04403 0.01030 -0.05350 80 6 C 1S -0.00286 0.00251 0.01550 0.01510 0.00017 81 2S -0.08494 -0.06411 0.47424 0.20329 -0.12851 82 2PX -0.15249 0.00008 -0.02407 0.04073 0.14518 83 2PY -0.16008 0.17794 -0.06018 -0.06540 -0.08591 84 2PZ -0.05923 -0.01120 0.07332 0.03460 0.12456 85 3S -0.25854 -0.31697 -2.66724 -1.31604 0.80914 86 3PX -0.31981 -0.66152 -1.27287 -1.34631 -0.85765 87 3PY 1.25284 -0.88714 0.17556 0.43353 -0.12993 88 3PZ 0.31432 -0.29845 -1.07121 -0.93816 -0.91725 89 4XX -0.02772 0.07539 -0.06242 -0.01662 -0.00290 90 4YY -0.00976 -0.07120 0.02723 0.01538 -0.02267 91 4ZZ 0.02432 -0.01340 0.07223 0.01947 0.01688 92 4XY 0.03206 -0.02210 -0.05060 0.00750 -0.02973 93 4XZ 0.01146 -0.05382 0.00272 0.03742 -0.01306 94 4YZ -0.01287 0.03746 0.01536 0.01786 0.00662 95 7 C 1S 0.00142 -0.01180 -0.00818 0.00096 -0.01632 96 2S 0.11332 -0.21473 -0.09359 0.33026 -0.30470 97 2PX -0.21161 0.07629 -0.00103 -0.02700 0.10552 98 2PY 0.03501 0.12457 0.22113 0.07295 -0.06435 99 2PZ -0.04794 0.15331 0.08796 -0.07704 -0.18818 100 3S -0.75186 0.17499 0.62926 -0.47500 2.40622 101 3PX 0.80411 -0.90070 -0.20706 -0.12316 0.09639 102 3PY -0.03018 -0.00851 -2.19331 -1.25944 -0.06058 103 3PZ 0.43802 -0.96641 -1.15817 -0.50910 0.32292 104 4XX 0.01204 0.03922 -0.00799 -0.01027 -0.02739 105 4YY 0.00675 -0.05694 0.04845 0.03385 0.02316 106 4ZZ -0.00020 -0.00353 -0.06706 0.01139 -0.03333 107 4XY -0.01176 0.01531 0.05140 0.02131 -0.00212 108 4XZ 0.00423 -0.06218 0.01652 0.03150 -0.00704 109 4YZ 0.00259 0.05679 -0.01780 0.03176 -0.01382 110 8 C 1S -0.02217 -0.00804 -0.00913 0.00388 0.01192 111 2S -0.12693 -0.06311 0.08219 -0.28391 0.24229 112 2PX 0.07941 0.12533 0.19564 0.02249 0.03891 113 2PY 0.18589 0.12163 -0.01960 0.03487 0.17143 114 2PZ 0.11340 0.07895 0.12048 0.07142 -0.15342 115 3S 0.41849 0.88171 -0.60677 0.17089 -0.96662 116 3PX 0.09161 -0.83339 -0.01381 -0.06745 0.33580 117 3PY -0.81166 -0.08876 0.66373 0.17107 -0.70182 118 3PZ -0.28286 -0.46810 -0.19508 -0.03664 0.36795 119 4XX -0.03160 -0.05737 0.03649 0.00913 0.02044 120 4YY 0.00281 0.01776 -0.07138 -0.01314 0.00577 121 4ZZ -0.00470 0.06041 0.01842 0.00119 0.00038 122 4XY -0.00332 0.01476 0.02117 0.04676 0.01810 123 4XZ 0.03343 0.02791 -0.03080 0.00162 -0.01068 124 4YZ 0.01733 0.01706 -0.02855 0.04613 0.01579 125 9 C 1S -0.00176 0.00893 -0.02615 0.01553 0.01177 126 2S 0.03839 0.44281 -0.90877 0.52601 0.51579 127 2PX -0.04888 -0.06402 0.05599 -0.03204 -0.05541 128 2PY -0.06385 -0.10132 0.12502 -0.19895 -0.02886 129 2PZ 0.07138 -0.04594 0.03001 -0.02160 -0.00246 130 3S -0.42234 -1.11737 3.77317 -2.12075 -2.08365 131 3PX -0.00971 0.49651 -0.15807 0.41812 0.16334 132 3PY -0.29409 0.22415 -0.73084 1.15612 0.71859 133 3PZ 0.27601 0.51598 -0.48229 0.15286 -0.33481 134 4XX 0.02017 0.00337 0.00373 -0.01515 0.00421 135 4YY -0.01735 0.02054 -0.00334 0.01354 0.00286 136 4ZZ 0.00935 0.03041 -0.09521 0.07000 0.04241 137 4XY 0.00433 0.02508 -0.04023 -0.04492 -0.01770 138 4XZ -0.00728 -0.00287 0.04539 0.00590 0.02037 139 4YZ 0.00246 0.00554 0.07006 -0.04218 -0.05771 140 10 H 1S -0.18912 -0.31376 0.03813 -0.30341 -0.15070 141 2S -0.05213 -0.15548 0.04486 -0.42199 -0.33758 142 11 H 1S 0.07839 0.02690 0.07019 0.03456 0.03601 143 2S 0.26630 0.60438 0.07754 0.01157 -0.04956 144 12 H 1S -0.17144 0.04273 -0.09709 0.04696 0.11146 145 2S 0.40309 0.23913 0.26037 -0.35891 0.07409 146 13 H 1S -0.16934 -0.15894 -0.21044 0.15891 0.35072 147 2S -0.01014 0.06227 -0.39947 0.32506 0.39731 148 14 C 1S 0.00034 0.00455 -0.00299 0.00428 0.00610 149 2S 0.04221 -0.09365 -0.50391 -0.06255 0.27232 150 2PX -0.19297 0.05547 -0.09890 -0.07952 0.04163 151 2PY -0.01748 0.16844 -0.01521 -0.11231 -0.12856 152 2PZ -0.14174 0.07662 -0.06250 -0.09065 -0.03734 153 3S -0.57801 -0.04872 0.42944 -0.81310 -1.48214 154 3PX 0.28846 -0.17340 -0.05933 -0.33423 -0.55765 155 3PY -0.25738 -0.33339 0.01253 0.63562 0.73445 156 3PZ 0.12757 -0.47769 0.10216 0.22304 0.13771 157 4XX 0.03058 -0.03796 0.01892 -0.00036 -0.01458 158 4YY -0.02925 -0.00538 -0.04448 -0.00748 0.00967 159 4ZZ 0.00291 0.03024 -0.03688 -0.00278 0.04022 160 4XY 0.00533 -0.05288 -0.00062 0.03619 0.03787 161 4XZ -0.00948 0.00984 -0.02765 0.01010 -0.01169 162 4YZ -0.01658 0.00640 0.02017 0.03309 0.04815 163 15 H 1S -0.11167 0.17811 0.06785 -0.15315 -0.09489 164 2S 0.49140 -0.01207 -0.29788 -0.23663 -0.20400 165 16 H 1S -0.05581 -0.03206 -0.03491 0.14546 0.14640 166 2S 0.23415 -0.40739 -0.11855 0.20553 0.29241 167 17 C 1S 0.00590 -0.00019 -0.00396 -0.00463 0.00589 168 2S -0.68401 -0.21846 0.14141 -0.15845 0.66346 169 2PX -0.04536 0.05473 0.02576 -0.12274 -0.01831 170 2PY -0.15474 0.16921 -0.02320 0.01010 -0.04495 171 2PZ -0.08869 0.13693 -0.06886 -0.07409 -0.08517 172 3S 1.75572 0.13720 1.20737 1.33990 -1.79592 173 3PX 0.05067 0.22575 0.36382 0.59830 0.14519 174 3PY 0.28628 -0.32883 -0.56713 -0.42866 0.32919 175 3PZ 0.19074 0.02364 0.29896 0.29387 0.25317 176 4XX -0.02383 -0.00219 0.00932 -0.00613 0.01908 177 4YY -0.03062 0.00372 0.02469 0.01754 0.00599 178 4ZZ -0.03632 -0.02512 -0.02718 -0.03653 0.03441 179 4XY -0.01940 0.00433 -0.05236 -0.04749 -0.01716 180 4XZ 0.04204 -0.02688 -0.02853 -0.01219 0.01164 181 4YZ -0.00116 -0.04171 0.04016 -0.01744 -0.00317 182 18 H 1S 0.09860 -0.10783 -0.08914 -0.15621 -0.05457 183 2S -0.72216 0.15697 -0.10327 -0.21043 0.21668 184 19 H 1S 0.27746 0.05628 -0.00359 0.05974 0.09000 185 2S -0.72139 0.13481 0.28441 0.13959 0.37872 111 112 113 114 115 V V V V V Eigenvalues -- 1.11320 1.14346 1.15969 1.17624 1.19408 1 1 S 1S 0.00432 -0.01292 -0.00450 -0.00706 0.00604 2 2S -0.00089 0.03134 0.01400 0.01851 0.04167 3 2PX -0.00659 -0.02016 -0.01101 -0.00764 0.02217 4 2PY -0.01042 0.03158 0.00242 0.00793 0.02452 5 2PZ 0.01253 0.00402 -0.00262 -0.02232 -0.00629 6 3S 0.13899 -0.29796 -0.09650 -0.17951 0.28751 7 3PX 0.03110 0.13540 0.03110 0.03359 -0.09391 8 3PY 0.01186 -0.06316 -0.05903 0.01542 0.01486 9 3PZ -0.07621 -0.10492 0.03569 0.12413 0.01756 10 4S -0.35697 0.17730 -0.17852 0.26253 -0.43951 11 4PX 0.45939 -0.21622 -0.20929 -0.45580 0.10877 12 4PY 0.17571 -0.40737 -0.26009 -0.69405 -0.04031 13 4PZ -0.04480 -0.21847 -0.07668 0.15499 0.15793 14 5XX -0.20219 0.25738 0.15545 0.14442 0.38942 15 5YY 0.29365 -0.38897 -0.13717 -0.12220 -0.22929 16 5ZZ -0.13714 0.21340 0.01540 0.06880 -0.08002 17 5XY -0.09744 -0.01324 -0.03948 0.05091 0.02602 18 5XZ -0.08581 0.09165 0.10839 -0.06000 -0.03313 19 5YZ -0.00054 0.43700 0.15970 0.29623 0.12181 20 2 O 1S 0.01531 -0.03335 -0.02113 -0.03037 -0.01272 21 2S 0.07657 -0.06183 -0.29651 -0.16635 0.18664 22 2PX 0.24495 0.08243 -0.09260 -0.31631 -0.07274 23 2PY 0.02267 -0.54556 -0.02723 -0.25351 -0.34725 24 2PZ -0.21921 0.05835 0.00868 -0.01545 0.18563 25 3S -0.29367 0.51401 0.78804 0.77173 -0.06568 26 3PX -0.35891 -0.11265 0.16809 0.46039 0.07182 27 3PY 0.11635 0.34752 -0.20249 0.06735 0.29894 28 3PZ 0.15251 0.15411 0.11266 0.14174 -0.21516 29 4XX -0.00318 -0.05887 -0.04713 -0.06255 0.02883 30 4YY 0.03816 -0.06671 -0.13944 -0.10079 0.03382 31 4ZZ 0.07281 -0.02412 -0.07825 -0.05994 0.02567 32 4XY 0.01401 -0.01287 0.01541 0.01592 0.00379 33 4XZ -0.00076 0.01298 -0.02558 0.01439 0.00713 34 4YZ -0.03349 0.04341 0.01282 0.01081 -0.02693 35 3 O 1S -0.00317 0.01443 0.01793 0.01553 0.00608 36 2S 0.02861 0.00760 0.25525 0.12998 -0.11105 37 2PX 0.20661 0.22089 -0.04330 0.12188 -0.23584 38 2PY -0.43782 0.00338 0.05830 -0.41589 -0.16538 39 2PZ 0.35071 -0.16225 0.01548 0.07700 0.05572 40 3S -0.03900 0.05247 -0.68812 -0.65693 0.03021 41 3PX -0.16912 -0.65853 0.15631 -0.27377 0.45475 42 3PY 0.76550 -0.16270 -0.25400 0.69483 0.23267 43 3PZ -0.52574 0.27133 0.02734 -0.26193 -0.23907 44 4XX -0.01832 0.04820 0.12476 0.03324 -0.03114 45 4YY -0.06407 0.09147 0.08081 0.04345 -0.03286 46 4ZZ 0.08239 -0.03706 0.04419 0.07145 -0.00434 47 4XY 0.03414 0.06596 0.01906 0.04227 -0.03713 48 4XZ 0.00636 0.04022 0.01763 0.00909 -0.07847 49 4YZ -0.04159 0.03243 0.07788 -0.01864 0.03563 50 4 C 1S 0.00104 0.00292 -0.00992 0.01494 -0.01026 51 2S 0.07144 -0.11877 -0.20162 0.37642 -0.19093 52 2PX -0.03879 0.02530 0.09123 -0.08866 -0.05857 53 2PY -0.04698 -0.10677 0.04292 0.04764 -0.01119 54 2PZ 0.08843 0.00501 -0.07321 -0.02080 -0.01216 55 3S -0.81274 1.35410 0.48686 -2.05858 -0.06109 56 3PX 0.07782 0.59761 -0.36736 -0.08939 -0.30652 57 3PY -0.21503 1.46596 -1.38063 -0.93775 -0.43841 58 3PZ 0.26699 -0.11373 0.36355 0.90675 -0.32800 59 4XX -0.00355 0.02302 -0.00034 -0.02128 0.00202 60 4YY 0.04195 0.04823 -0.05207 -0.01324 -0.03678 61 4ZZ -0.02826 -0.04492 0.03338 0.05179 -0.00558 62 4XY -0.02146 0.02411 -0.06204 0.02265 -0.04720 63 4XZ -0.02574 0.02252 0.00235 -0.04148 -0.01252 64 4YZ 0.00939 -0.01615 0.01543 -0.00065 0.03317 65 5 C 1S -0.01044 0.00167 -0.00767 -0.00475 0.01391 66 2S -0.21388 -0.15343 0.17006 -0.08039 0.46447 67 2PX -0.06495 0.05921 -0.01470 -0.01889 -0.12719 68 2PY -0.02668 -0.04085 -0.13001 0.16244 -0.04911 69 2PZ -0.09728 -0.03336 0.14933 0.14852 -0.11062 70 3S 0.26143 -1.59280 0.83853 1.75903 -0.75100 71 3PX 0.54288 -0.78607 -0.49589 0.42143 0.98529 72 3PY -0.70774 -0.72487 0.62469 -0.71260 0.64560 73 3PZ 0.35035 -0.60249 -0.68632 0.62124 0.55582 74 4XX 0.00833 -0.05200 -0.03602 0.00422 0.04361 75 4YY -0.02350 -0.07861 0.05883 0.06324 0.02684 76 4ZZ -0.00419 0.02834 0.02724 -0.04002 -0.00641 77 4XY 0.01949 -0.03359 -0.00569 -0.03201 0.07085 78 4XZ 0.00638 -0.05011 -0.04014 0.05082 0.00275 79 4YZ 0.03550 0.03747 -0.00117 -0.06494 0.01447 80 6 C 1S -0.00785 0.00262 0.02179 0.00477 -0.03322 81 2S 0.04670 0.02008 0.88793 -0.03972 -0.73973 82 2PX 0.02916 -0.13739 -0.30678 0.25740 0.06265 83 2PY 0.13900 0.08661 0.01419 0.00811 -0.13243 84 2PZ -0.03493 -0.03028 -0.14806 0.06157 -0.04013 85 3S 1.29332 0.52072 -3.03312 -0.18388 3.00095 86 3PX 1.34083 2.26585 2.64848 -3.01850 -0.48445 87 3PY -0.39017 -0.64399 0.76647 -0.17968 0.86480 88 3PZ 1.01408 0.88087 2.48021 -1.97136 0.42885 89 4XX 0.02441 0.01470 -0.00718 0.01732 -0.02363 90 4YY 0.03108 0.03873 0.04705 -0.00072 -0.05764 91 4ZZ -0.02528 -0.03878 0.01986 -0.00136 0.00713 92 4XY 0.03360 0.03829 0.00144 -0.03253 0.02003 93 4XZ 0.03525 0.04324 0.01440 -0.04907 -0.03018 94 4YZ 0.02784 -0.02004 0.04928 0.06574 -0.04808 95 7 C 1S 0.01620 0.01112 -0.00166 0.00120 0.00439 96 2S 0.25419 0.36004 -0.21091 0.28222 -0.07889 97 2PX 0.10279 0.12429 -0.10107 -0.09341 0.11295 98 2PY -0.24273 -0.08000 -0.07559 0.27254 -0.28128 99 2PZ -0.08618 -0.18231 -0.08249 0.16741 0.03353 100 3S -0.80510 -1.31391 0.23533 -0.49947 0.21596 101 3PX -0.53105 -0.86740 1.05196 0.63290 0.29975 102 3PY 3.13144 1.95503 1.74973 -4.06882 1.29059 103 3PZ 1.00379 0.94850 1.43594 -1.77115 0.53981 104 4XX -0.00429 0.02373 -0.05591 -0.02522 -0.03837 105 4YY 0.01546 -0.04974 0.01204 0.03543 0.03543 106 4ZZ 0.03363 0.04643 0.03208 0.00992 -0.00354 107 4XY -0.02477 -0.07415 0.00169 0.07604 0.01030 108 4XZ 0.05359 -0.00213 0.04586 0.05893 0.04595 109 4YZ 0.02112 0.08812 -0.03602 -0.08138 -0.08379 110 8 C 1S -0.01456 -0.00610 0.00432 0.01938 0.01314 111 2S -0.25990 -0.26311 -0.15344 0.26238 -0.03879 112 2PX -0.02084 -0.23997 0.07655 0.16773 -0.08507 113 2PY 0.04032 -0.00042 0.12049 0.12645 -0.22973 114 2PZ 0.05611 0.12567 0.01137 0.04223 -0.18279 115 3S 1.08872 2.07331 -1.09989 -2.25370 -0.03192 116 3PX -0.65218 -0.26976 0.34520 0.30686 0.44545 117 3PY -0.25479 -0.53970 -0.33377 0.67976 0.84071 118 3PZ -1.04684 -0.77494 0.08792 0.67382 0.63289 119 4XX -0.03140 -0.04174 0.03355 0.09543 0.05276 120 4YY 0.01806 0.01403 -0.00285 -0.05023 0.02397 121 4ZZ -0.02356 0.04865 -0.07001 -0.01157 -0.05155 122 4XY -0.09048 -0.04068 -0.03104 0.01044 -0.04456 123 4XZ 0.05532 0.02205 -0.03550 -0.06601 -0.06373 124 4YZ 0.10469 0.00733 0.07252 0.00332 -0.00926 125 9 C 1S -0.02029 0.01271 0.00374 0.00009 -0.00696 126 2S -0.53670 0.35275 -0.01158 -0.14902 0.00610 127 2PX -0.06198 -0.02824 -0.00222 0.13410 -0.08105 128 2PY -0.11770 0.02888 -0.10992 -0.02578 0.01754 129 2PZ 0.16351 0.02266 0.15346 0.06418 -0.06830 130 3S 0.85894 -2.11720 0.13567 1.09373 0.88299 131 3PX 0.07413 0.14394 -0.27392 -0.26013 -0.10585 132 3PY 0.35694 -0.48164 0.96472 0.76074 0.10212 133 3PZ -0.09947 1.31323 -1.45666 -1.31068 -0.59883 134 4XX 0.02959 0.01119 0.02735 0.00540 0.01376 135 4YY -0.12844 -0.00795 -0.06511 -0.01569 0.00428 136 4ZZ 0.02957 0.03336 0.06190 0.02087 -0.01580 137 4XY 0.04140 0.03982 -0.00787 -0.04011 0.02156 138 4XZ -0.07060 -0.08425 0.01413 0.04837 -0.00833 139 4YZ 0.00484 0.01938 -0.05373 -0.00963 -0.02057 140 10 H 1S -0.02342 0.24661 -0.44519 -0.08458 -0.09533 141 2S 0.02001 0.46150 -0.59055 -0.14299 -0.16071 142 11 H 1S -0.01518 -0.11671 -0.13940 -0.11451 0.35380 143 2S -0.07848 -0.27179 -0.15497 -0.11856 0.59733 144 12 H 1S 0.19933 0.06530 -0.06202 -0.09387 -0.15754 145 2S 0.24319 0.13106 0.20619 0.07759 -0.52522 146 13 H 1S -0.10699 -0.24564 0.39710 0.27860 0.14768 147 2S -0.01936 -0.18232 0.66798 0.41695 0.11121 148 14 C 1S -0.00545 -0.00573 -0.02934 0.00997 0.01141 149 2S -0.08796 -0.00006 -0.92540 0.13216 0.36882 150 2PX -0.01350 0.04103 -0.01657 -0.06123 0.03824 151 2PY 0.12499 -0.04436 0.03108 -0.02091 0.16935 152 2PZ 0.06509 0.05069 -0.05054 -0.08093 0.10076 153 3S 1.06419 1.67122 4.93243 -2.71732 -1.75790 154 3PX 0.47329 0.50450 1.50544 -0.87429 -0.40703 155 3PY -0.54553 0.20304 -0.98386 0.74678 -1.08918 156 3PZ -0.13951 0.46790 0.44060 -0.19322 -0.96674 157 4XX -0.01942 0.02346 0.03245 -0.07075 -0.00341 158 4YY 0.01690 -0.01962 -0.09603 0.04711 0.05124 159 4ZZ -0.01853 -0.00894 -0.04423 0.03818 -0.00353 160 4XY -0.02711 0.02383 -0.05040 0.01896 -0.05823 161 4XZ 0.00161 0.03318 0.01931 0.00501 -0.06882 162 4YZ -0.04284 -0.01079 -0.07795 0.02642 -0.01296 163 15 H 1S 0.07386 -0.15603 0.06143 -0.04501 0.32604 164 2S 0.20264 -0.06970 -0.08099 -0.16818 0.54952 165 16 H 1S -0.12198 0.05888 -0.24157 0.15334 -0.17085 166 2S -0.14191 0.09474 -0.44841 0.22906 -0.34397 167 17 C 1S 0.00887 0.00133 0.00825 -0.02558 0.01148 168 2S 0.05375 -0.04257 0.16022 -0.58020 0.46984 169 2PX 0.07345 0.05910 -0.00497 -0.09865 0.11155 170 2PY 0.12856 0.10204 0.01621 -0.10181 -0.08669 171 2PZ 0.07928 -0.02539 0.04168 -0.01233 0.10092 172 3S -2.29102 -1.13697 -1.64018 4.43541 -1.84762 173 3PX -0.64351 -0.09680 -0.94652 0.74160 -0.69696 174 3PY 0.78785 0.45200 0.60678 -1.49658 0.61219 175 3PZ -0.26411 -0.10150 -0.55469 0.17703 -0.28006 176 4XX 0.01069 -0.03145 -0.00964 -0.02247 0.04525 177 4YY -0.03529 0.04142 -0.02774 -0.01934 -0.05010 178 4ZZ 0.01248 -0.03429 0.04913 -0.01420 0.07603 179 4XY 0.04466 0.05588 0.03300 -0.09360 0.00160 180 4XZ 0.03688 0.04545 0.02354 -0.09568 0.03902 181 4YZ 0.01511 -0.06345 0.05924 0.04982 0.07275 182 18 H 1S 0.16446 0.03564 0.29260 -0.16877 0.06172 183 2S 0.21361 0.03836 0.25748 -0.38979 0.36077 184 19 H 1S -0.07471 0.02779 -0.20607 0.01867 -0.12315 185 2S -0.20590 -0.12356 -0.26003 0.07186 -0.08823 116 117 118 119 120 V V V V V Eigenvalues -- 1.19703 1.23451 1.30654 1.32643 1.33771 1 1 S 1S -0.00201 0.00661 -0.00585 0.00385 0.00325 2 2S -0.02006 0.06026 -0.01117 -0.00472 0.01380 3 2PX 0.00403 -0.02067 -0.01166 0.01368 0.00471 4 2PY -0.00243 0.00008 -0.00089 -0.00347 0.00826 5 2PZ -0.00674 0.02204 0.02605 -0.00733 0.00485 6 3S -0.11067 0.37301 -0.20859 0.09575 0.12853 7 3PX 0.01334 0.05421 0.04325 -0.05277 -0.05159 8 3PY 0.03787 0.05935 -0.02145 0.06211 0.03980 9 3PZ 0.08038 -0.08468 -0.13017 0.04589 -0.04521 10 4S 0.48666 -0.89878 0.70713 0.25906 0.09895 11 4PX -0.19208 0.54692 -0.28668 0.06252 -0.06108 12 4PY 0.09452 0.02168 -0.09981 0.43221 -0.30633 13 4PZ -0.15277 -0.60654 -0.36674 -0.12706 -0.08994 14 5XX 0.07455 -0.08162 -0.06114 0.06157 -0.03366 15 5YY 0.06040 0.11254 0.11985 -0.02132 0.10283 16 5ZZ -0.17883 0.03001 -0.04299 -0.02798 -0.01887 17 5XY 0.08051 0.03343 0.00798 -0.08703 0.16836 18 5XZ -0.11859 0.26630 0.05144 -0.04506 0.01463 19 5YZ -0.23800 -0.05162 -0.05199 -0.04421 -0.04163 20 2 O 1S 0.01404 0.01322 0.01273 0.02046 0.00526 21 2S 0.08743 0.22548 0.07351 0.34531 0.20267 22 2PX 0.12330 0.02931 0.04592 0.07543 -0.19767 23 2PY 0.03861 -0.07818 0.03254 -0.03895 -0.08993 24 2PZ -0.13539 0.03874 -0.10775 0.01903 0.01311 25 3S -0.39656 -0.46780 -0.36599 -0.93154 -0.31782 26 3PX -0.17370 -0.08005 -0.03188 -0.09807 0.28261 27 3PY 0.12078 0.26628 0.12414 0.19077 0.25292 28 3PZ 0.14512 -0.05192 0.16052 -0.09963 -0.04402 29 4XX 0.00532 0.03864 -0.00999 0.09008 0.04603 30 4YY 0.07181 0.10329 0.06281 0.12594 0.08858 31 4ZZ 0.01876 0.05256 0.03238 0.08983 -0.00870 32 4XY -0.02579 0.00438 0.00462 0.01847 -0.01665 33 4XZ 0.05504 -0.05651 0.01732 0.01619 -0.01590 34 4YZ 0.02474 -0.03543 0.02535 -0.01268 -0.04373 35 3 O 1S -0.00601 -0.00644 0.00251 -0.02660 0.01289 36 2S -0.10788 -0.21279 0.01655 -0.32153 0.10042 37 2PX -0.04179 0.15525 0.32667 -0.02035 0.08801 38 2PY -0.13572 0.04644 0.07013 0.09293 -0.18339 39 2PZ -0.19712 -0.15655 -0.04026 -0.09696 0.12157 40 3S 0.24025 0.24074 -0.25279 0.98029 -0.33805 41 3PX 0.00383 -0.22716 -0.71057 -0.07739 -0.29979 42 3PY 0.18332 -0.05922 -0.28038 -0.22748 0.27921 43 3PZ 0.34580 0.22246 0.03801 0.36884 -0.31339 44 4XX -0.05725 -0.12713 -0.08701 -0.11298 -0.05301 45 4YY 0.00592 -0.01755 0.04842 -0.05204 -0.01266 46 4ZZ -0.03066 -0.01945 0.07295 -0.14645 0.18614 47 4XY -0.08334 -0.02772 0.04699 -0.09197 0.16469 48 4XZ -0.01975 0.05451 0.09967 -0.01452 -0.00793 49 4YZ -0.05958 0.05635 0.02533 0.01963 -0.10092 50 4 C 1S 0.00050 0.02971 -0.00658 0.01043 -0.03121 51 2S -0.18966 0.45885 -0.18236 0.19255 -0.47144 52 2PX 0.00125 -0.05564 -0.03321 0.02689 -0.03783 53 2PY -0.10220 -0.03546 -0.04800 -0.01604 -0.04469 54 2PZ -0.07205 0.03711 -0.01012 -0.06233 0.01168 55 3S 0.44521 -2.80935 -0.14519 -0.77067 1.57624 56 3PX 0.01696 -0.21988 -0.05771 -0.13329 -0.00215 57 3PY 0.75937 -0.93402 -0.14795 -0.33992 0.88568 58 3PZ -0.39288 0.39110 -0.08014 -0.02679 -0.66602 59 4XX -0.02953 0.00085 0.07214 0.04672 0.05434 60 4YY 0.02981 0.00388 -0.02735 -0.03887 -0.03230 61 4ZZ -0.00902 0.04062 -0.07240 0.04082 -0.06661 62 4XY -0.04090 0.08727 0.08897 -0.02790 0.02322 63 4XZ -0.00701 -0.03322 0.03819 -0.06403 -0.09337 64 4YZ 0.01713 -0.04104 -0.01070 -0.00913 0.04926 65 5 C 1S 0.02329 -0.05753 -0.03416 0.01440 0.02612 66 2S 0.37290 -0.94766 -0.31220 0.17932 0.37340 67 2PX -0.06701 -0.05000 -0.17581 0.02976 -0.09065 68 2PY -0.08549 -0.05155 0.03604 -0.12530 0.06635 69 2PZ -0.09648 0.04927 -0.04080 0.12915 -0.06670 70 3S -2.39410 2.81658 2.18158 -0.91328 -1.78121 71 3PX 0.38945 0.15260 -0.69902 -0.42594 0.47892 72 3PY -0.33072 0.10810 0.87872 -0.19309 0.28347 73 3PZ -0.23122 0.83244 0.28883 -0.41176 0.00520 74 4XX 0.01380 -0.05155 -0.10809 -0.00091 0.14792 75 4YY 0.00734 -0.01077 0.06206 0.06656 -0.09363 76 4ZZ -0.00923 -0.04866 -0.00442 -0.06785 -0.01681 77 4XY 0.00004 0.03176 -0.06460 0.01106 -0.15196 78 4XZ 0.00896 0.12282 -0.00163 0.04747 0.06356 79 4YZ -0.02529 -0.06613 0.11487 -0.07567 0.15247 80 6 C 1S -0.00414 -0.00099 0.02988 0.01335 0.04178 81 2S 0.14999 -0.15091 0.22572 0.22268 0.69419 82 2PX -0.16384 0.10319 -0.00964 -0.07398 -0.04756 83 2PY 0.25550 0.15538 -0.37363 -0.01838 0.07742 84 2PZ -0.03436 0.08423 -0.25649 -0.07744 0.06087 85 3S -0.22800 0.51732 -2.42631 -1.82197 -3.27534 86 3PX 1.30650 -1.57991 -0.53798 1.59304 -0.39595 87 3PY -1.26344 -0.14606 2.41456 -0.98332 -1.36988 88 3PZ 0.19217 -0.97501 1.05764 0.64220 -1.12673 89 4XX -0.04417 0.11167 -0.02414 0.24912 0.04297 90 4YY 0.02444 -0.08871 0.03592 0.07194 0.18295 91 4ZZ 0.02401 -0.03896 0.00480 -0.33475 -0.17386 92 4XY 0.01305 0.05238 -0.10278 0.14049 0.03916 93 4XZ 0.00232 -0.01262 0.03655 -0.11543 0.02015 94 4YZ 0.03613 0.05840 -0.00014 0.09442 -0.05910 95 7 C 1S 0.03357 -0.01644 0.03588 0.00925 -0.04921 96 2S 1.05123 -0.54540 0.37354 0.15222 -0.85961 97 2PX -0.06926 -0.22243 0.30992 0.23669 -0.08614 98 2PY 0.16286 -0.05356 0.09375 -0.07707 -0.03652 99 2PZ -0.10951 -0.08076 0.21011 0.18681 0.07054 100 3S -3.36445 2.51781 -2.72753 -0.27355 4.13961 101 3PX 0.54231 0.87665 -1.22512 -1.78351 -0.42902 102 3PY -1.80874 -0.09247 -1.03961 0.79982 -0.83131 103 3PZ -0.04379 0.26991 -1.37269 -1.09664 -0.99257 104 4XX 0.03846 -0.10510 0.05376 -0.17170 -0.02754 105 4YY 0.00228 0.05627 0.05416 -0.07368 -0.12624 106 4ZZ 0.03326 0.01230 -0.08919 0.26363 0.12968 107 4XY 0.00444 0.04693 -0.03664 -0.15992 -0.07069 108 4XZ 0.10941 -0.00035 0.06837 0.07657 -0.15555 109 4YZ 0.00237 0.00661 -0.02758 -0.02880 0.10945 110 8 C 1S -0.00221 -0.06306 -0.04211 0.02061 -0.00276 111 2S -0.05266 -0.91069 -0.57858 0.48109 0.06102 112 2PX -0.01396 0.07444 -0.05016 -0.06597 -0.02572 113 2PY -0.20071 -0.13892 0.02075 0.06631 -0.18700 114 2PZ -0.25660 -0.06514 -0.11335 -0.10900 0.00135 115 3S 0.68354 1.21698 2.86621 -0.47028 0.01691 116 3PX 0.49417 0.78745 -0.07071 -0.15623 0.53085 117 3PY 0.91041 0.36183 0.69657 0.93403 0.26900 118 3PZ 1.36814 0.43500 0.83115 -0.11947 0.59220 119 4XX 0.06413 0.00154 0.06621 0.24839 -0.01114 120 4YY 0.01570 -0.03904 -0.08931 -0.06821 -0.05921 121 4ZZ -0.06507 -0.14758 -0.04777 -0.11440 0.05665 122 4XY -0.01974 0.04133 0.00906 -0.03108 0.14542 123 4XZ -0.03871 -0.07628 0.03905 -0.01051 -0.05894 124 4YZ -0.08955 -0.00269 -0.10703 0.06328 -0.14698 125 9 C 1S 0.01017 -0.00218 0.01020 -0.03393 0.01833 126 2S 0.29230 -0.23378 0.20340 -0.54858 0.37962 127 2PX 0.06532 -0.04606 0.01353 0.01924 0.04691 128 2PY 0.07438 -0.02787 0.01918 -0.02671 0.03482 129 2PZ -0.10990 0.07501 -0.00618 0.02879 -0.06801 130 3S -0.53784 1.18582 -0.62614 2.11385 -0.99752 131 3PX -0.14071 -0.33692 -0.27497 -0.01787 -0.01661 132 3PY -0.60240 -0.20045 -0.52676 0.70616 -0.53407 133 3PZ -0.08019 -1.07768 -0.32312 -0.93015 0.50828 134 4XX 0.01217 -0.03866 -0.10903 0.09342 -0.01152 135 4YY 0.06983 0.00265 0.04479 -0.06519 0.13550 136 4ZZ -0.04941 0.03212 0.08048 -0.04905 -0.08178 137 4XY -0.02604 -0.01439 -0.04100 -0.08252 -0.08346 138 4XZ 0.05958 0.05074 0.00476 0.00150 0.06306 139 4YZ -0.03242 -0.02498 0.04390 0.01830 -0.00969 140 10 H 1S 0.16342 -0.05386 -0.05685 -0.01820 0.06754 141 2S 0.22371 -0.03629 -0.09137 0.04778 0.15305 142 11 H 1S 0.09163 -0.15362 -0.10756 -0.00879 0.21877 143 2S 0.34580 -0.13046 -0.09448 -0.13905 0.27470 144 12 H 1S -0.39428 -0.38563 -0.42565 0.02549 -0.16881 145 2S -0.72879 -0.38765 -0.67719 -0.04282 -0.22442 146 13 H 1S 0.08903 0.11817 0.11455 0.07563 -0.04890 147 2S 0.00602 0.19249 0.11978 0.19348 -0.07567 148 14 C 1S -0.01521 0.01256 -0.00100 -0.01035 -0.01411 149 2S -0.43795 0.25110 -0.03022 -0.04038 -0.35059 150 2PX -0.01354 0.00886 -0.02594 0.16206 -0.04410 151 2PY 0.08428 -0.03566 0.02936 0.02266 0.01187 152 2PZ 0.04090 -0.06771 0.04889 -0.03731 -0.05228 153 3S 2.00999 -1.85019 0.30901 1.90702 1.08434 154 3PX 0.52009 -0.70486 0.20726 0.60991 0.36620 155 3PY 0.29094 0.83826 -1.69182 -0.00416 0.38481 156 3PZ 0.53834 -0.02420 -0.95480 0.38966 0.52659 157 4XX 0.01917 -0.08777 0.05093 -0.21278 -0.02392 158 4YY -0.07217 0.05801 0.02884 0.06857 -0.00926 159 4ZZ -0.00638 0.05185 -0.08675 0.15457 -0.00739 160 4XY 0.02355 -0.00450 -0.07363 -0.06530 0.05599 161 4XZ 0.00907 0.07905 -0.02981 0.16396 0.04995 162 4YZ -0.02639 0.01174 0.00433 -0.13430 -0.04458 163 15 H 1S -0.13976 -0.12384 0.33899 -0.10130 -0.10164 164 2S -0.25394 -0.25381 0.54618 -0.00921 -0.19813 165 16 H 1S 0.18281 0.18323 -0.43701 -0.06059 0.01464 166 2S -0.09195 0.25598 -0.61551 0.01705 0.11880 167 17 C 1S -0.02771 0.01429 -0.00466 -0.00011 0.01187 168 2S -0.65327 0.41943 0.06610 -0.06804 0.28038 169 2PX 0.13225 0.07710 0.03471 -0.00372 0.03538 170 2PY 0.01812 -0.09177 -0.08196 0.02547 -0.03962 171 2PZ 0.10768 0.07798 0.00890 -0.04247 -0.05862 172 3S 3.55561 -1.21784 1.30966 -0.41163 -0.95792 173 3PX -0.59039 -1.05148 1.07659 0.88817 0.04817 174 3PY -1.23006 0.56219 -0.41073 0.23890 0.34260 175 3PZ -1.01684 -0.58605 0.74588 0.86101 0.24110 176 4XX -0.08675 0.03067 0.01538 -0.04767 -0.00938 177 4YY 0.04063 -0.01921 0.02356 0.00988 0.05010 178 4ZZ -0.03582 0.03682 -0.03141 0.03455 -0.00102 179 4XY 0.02778 0.00508 -0.08064 -0.02071 0.07516 180 4XZ -0.04343 0.04701 0.02792 0.02993 0.03106 181 4YZ 0.05727 0.09507 0.01259 -0.10061 -0.14089 182 18 H 1S 0.12444 0.25645 -0.39181 -0.21315 0.06661 183 2S 0.21001 0.37855 -0.35168 -0.44452 0.01617 184 19 H 1S -0.29335 -0.22008 0.18076 0.26330 0.07647 185 2S -0.55601 -0.36483 0.37914 0.29721 0.10915 121 122 123 124 125 V V V V V Eigenvalues -- 1.40977 1.42356 1.45816 1.53515 1.55902 1 1 S 1S -0.00108 -0.00040 -0.01344 -0.00035 -0.00783 2 2S 0.01325 -0.00111 0.01444 0.03671 0.01053 3 2PX -0.01081 0.00135 -0.03748 -0.01834 -0.03417 4 2PY -0.02132 0.01087 -0.03604 0.00078 -0.02344 5 2PZ -0.02048 -0.00022 0.00049 -0.00829 -0.02227 6 3S 0.02359 -0.00904 -0.34845 0.10525 -0.20815 7 3PX 0.09842 -0.01434 0.24425 0.11654 0.21201 8 3PY 0.20325 -0.11902 0.26459 -0.08231 0.19028 9 3PZ 0.09797 0.00891 -0.02640 0.09280 0.09701 10 4S -0.17100 -0.33952 0.59193 -1.84398 0.22155 11 4PX 0.14374 0.01841 -0.27515 0.53809 0.01081 12 4PY 0.24015 -0.32977 0.42592 -0.61096 0.41702 13 4PZ 0.18600 0.18545 -0.10097 0.21158 -0.01487 14 5XX 0.00736 0.00910 0.14837 0.08773 -0.07600 15 5YY -0.03344 -0.05854 0.06999 -0.04222 -0.00726 16 5ZZ -0.01914 0.02197 -0.21272 -0.09066 0.09645 17 5XY -0.08923 0.04821 -0.00284 -0.01885 -0.05317 18 5XZ -0.13446 0.00437 0.03336 0.03604 -0.08006 19 5YZ -0.04825 -0.01399 -0.23057 -0.07823 -0.05873 20 2 O 1S 0.00537 -0.01989 0.03174 -0.04302 0.01781 21 2S 0.28923 -0.39840 0.49823 -0.74549 0.30559 22 2PX -0.09309 0.03342 -0.04900 0.01550 0.02383 23 2PY -0.09290 0.06799 -0.04250 0.10704 -0.06556 24 2PZ 0.05364 -0.00255 0.03081 -0.03092 0.02207 25 3S -0.54281 1.00655 -1.34345 2.07807 -0.82620 26 3PX 0.11162 -0.06683 0.12673 -0.11839 -0.02726 27 3PY 0.19381 -0.27292 0.36017 -0.51908 0.23431 28 3PZ -0.15401 0.08308 -0.19873 0.20128 -0.12616 29 4XX 0.06548 -0.09694 0.10918 -0.14001 0.04187 30 4YY 0.09776 -0.14217 0.18203 -0.26338 0.13606 31 4ZZ 0.01988 -0.06973 0.10869 -0.17519 0.05620 32 4XY 0.03178 -0.02781 0.03701 -0.03337 0.01158 33 4XZ 0.01849 -0.00157 0.00627 -0.01230 -0.01754 34 4YZ -0.05346 0.04570 -0.08652 0.05601 -0.00803 35 3 O 1S -0.02544 0.01274 0.04382 0.01623 -0.02966 36 2S -0.44347 0.25711 0.56581 0.07588 -0.52729 37 2PX -0.15406 -0.06530 -0.35706 -0.14031 -0.01283 38 2PY -0.20492 0.04389 -0.13972 -0.18349 -0.05780 39 2PZ -0.10897 0.05283 -0.07423 -0.05448 -0.15703 40 3S 1.23828 -0.69661 -1.85677 -0.57753 1.27601 41 3PX 0.37500 0.25921 1.27414 0.78843 0.08617 42 3PY 0.50209 -0.03600 0.45106 0.61786 0.17021 43 3PZ 0.47410 -0.18563 0.11551 -0.04050 0.55461 44 4XX -0.11451 0.05387 0.36430 0.06900 -0.11000 45 4YY -0.07793 0.03882 0.12509 0.00599 -0.15354 46 4ZZ -0.16270 0.11027 -0.01636 0.03033 -0.14923 47 4XY -0.08600 0.04198 0.10506 -0.02646 -0.01707 48 4XZ -0.02838 -0.01209 -0.03637 0.00404 0.10465 49 4YZ -0.13736 0.02171 -0.04108 -0.05304 -0.21024 50 4 C 1S -0.00458 -0.00023 0.01157 -0.00431 -0.02233 51 2S -0.15569 -0.00703 0.11396 0.01856 -0.16294 52 2PX 0.07878 0.08819 -0.03721 0.01917 0.04384 53 2PY -0.08978 -0.04291 -0.01761 0.04616 0.11937 54 2PZ -0.06047 -0.01295 -0.00567 0.08357 0.01839 55 3S 1.09031 -0.18885 -0.81783 0.79142 2.11340 56 3PX 0.67900 -0.10764 -0.23563 -0.06480 0.59708 57 3PY 1.65384 -0.28794 -0.34879 0.22557 0.99569 58 3PZ 0.26387 -0.05617 0.27246 0.05783 0.10128 59 4XX -0.11684 -0.34169 0.05018 -0.04230 0.01391 60 4YY 0.05876 0.18930 0.06333 0.04826 -0.13421 61 4ZZ 0.06834 0.14166 -0.09909 -0.03032 0.09608 62 4XY -0.05146 -0.15898 -0.04088 0.03980 0.07089 63 4XZ -0.08276 -0.19933 0.13653 0.10156 0.01725 64 4YZ 0.09178 0.20679 -0.06950 -0.02117 0.00957 65 5 C 1S -0.01125 -0.02587 -0.02277 -0.02596 -0.01869 66 2S -0.40201 -0.29896 -0.25911 -0.52473 -0.09329 67 2PX 0.13976 0.04346 0.16413 0.00910 -0.11793 68 2PY -0.00350 0.00115 0.09927 -0.08593 0.27415 69 2PZ -0.00895 -0.00243 0.16170 -0.12681 0.08050 70 3S -0.15885 1.85577 1.92728 0.66212 2.55040 71 3PX -1.10366 -0.13407 0.49923 1.12305 -1.65658 72 3PY -1.11945 0.67701 -0.56052 0.05850 0.68316 73 3PZ -1.32608 0.04886 -1.18145 -0.09497 -1.02435 74 4XX 0.02639 0.06288 0.02683 0.02361 -0.01237 75 4YY 0.09250 -0.03681 -0.13243 -0.12489 0.03891 76 4ZZ -0.16215 -0.02987 0.13227 0.10317 -0.05618 77 4XY -0.07004 -0.09154 -0.05420 -0.00810 -0.11281 78 4XZ -0.00562 0.08009 -0.26807 -0.09489 -0.09145 79 4YZ -0.11212 0.02676 0.02119 0.08178 -0.06935 80 6 C 1S 0.04785 -0.00429 -0.00349 0.00746 -0.00869 81 2S 0.63797 -0.38168 -0.16443 0.01588 -0.04129 82 2PX -0.19533 0.02519 0.03943 -0.06830 0.14982 83 2PY -0.00462 -0.11926 -0.00690 0.10008 -0.39354 84 2PZ -0.14677 -0.00407 0.02205 0.03329 -0.21263 85 3S -3.36531 0.63117 0.62880 -1.07670 2.36507 86 3PX 3.38038 -1.43848 -0.37605 0.26845 -1.32913 87 3PY -1.14044 1.39400 -0.05872 -1.57029 5.44430 88 3PZ 1.70761 -0.21187 0.07629 -0.49393 2.33256 89 4XX -0.11198 -0.00080 -0.02680 -0.09181 0.01800 90 4YY 0.00583 0.09005 0.07764 0.15084 0.12563 91 4ZZ 0.10078 -0.12380 -0.05818 -0.07656 -0.11267 92 4XY -0.17084 0.03713 0.03720 0.05887 0.06232 93 4XZ 0.03369 0.07652 0.08066 0.14537 0.01676 94 4YZ 0.10091 -0.00211 -0.03236 -0.15624 -0.08043 95 7 C 1S -0.02151 0.02219 0.02698 -0.02976 0.02082 96 2S -0.56354 0.15666 0.23626 -0.35341 0.25802 97 2PX 0.14664 0.01449 0.03016 0.14810 -0.32832 98 2PY -0.15270 0.14758 0.03915 -0.05165 0.15222 99 2PZ 0.15907 0.04119 0.13956 0.03540 -0.22636 100 3S 1.54814 -1.72537 -1.47016 1.70102 -3.45332 101 3PX -1.82846 0.16892 -0.44476 -1.96859 4.68260 102 3PY 2.60863 -1.35794 -0.17843 1.11829 -1.67951 103 3PZ -0.56296 -0.48824 -0.72265 -0.83618 3.29199 104 4XX 0.09891 -0.02433 0.02531 -0.35556 -0.13944 105 4YY 0.04749 -0.06907 -0.05449 0.11871 -0.00618 106 4ZZ -0.16592 0.04726 0.05450 0.20603 0.13587 107 4XY 0.14879 -0.16688 -0.09121 -0.00506 -0.04460 108 4XZ 0.04223 0.05051 -0.04367 0.12427 -0.00022 109 4YZ -0.06777 0.13014 0.12556 -0.17309 -0.02351 110 8 C 1S -0.00370 -0.02541 -0.03849 -0.02651 0.04681 111 2S 0.01229 -0.43927 -0.70295 -0.22972 0.27220 112 2PX -0.11581 0.09311 -0.04194 -0.04412 0.14972 113 2PY -0.02347 -0.05495 0.07613 0.01892 -0.09911 114 2PZ -0.06380 0.06447 0.10965 0.05141 0.19263 115 3S 1.72913 1.04853 1.65433 2.23359 -3.36250 116 3PX -0.57615 -0.26812 -0.23499 -0.34619 0.65816 117 3PY -0.05218 0.49163 0.22189 0.19608 -1.34963 118 3PZ -0.12143 0.13177 0.07614 -1.09544 -0.43941 119 4XX -0.06270 -0.09242 -0.05614 0.27044 -0.04437 120 4YY 0.06308 0.04131 -0.07367 -0.01784 0.07334 121 4ZZ 0.04028 0.00131 0.09167 -0.27530 0.02180 122 4XY -0.05445 -0.12649 -0.05210 0.16628 0.08252 123 4XZ 0.01225 0.07934 -0.01940 -0.01578 -0.01033 124 4YZ -0.00652 0.01298 0.02825 0.08388 0.08531 125 9 C 1S 0.00263 0.00667 -0.00578 0.00486 0.01527 126 2S -0.01547 0.11038 -0.23545 0.28045 0.20340 127 2PX 0.05119 0.12870 -0.02183 -0.03525 0.00783 128 2PY 0.03940 -0.04347 -0.05702 0.06604 0.11095 129 2PZ 0.03032 -0.03871 0.13461 -0.11616 -0.04015 130 3S -1.45374 -0.07322 0.28042 -0.62861 -1.44182 131 3PX 0.24516 -0.07055 -0.22928 0.48353 0.45489 132 3PY -0.26693 -0.17365 0.05270 -0.23264 0.15412 133 3PZ 0.72028 -0.06905 -0.95635 1.52505 1.38378 134 4XX 0.12167 0.30845 -0.07712 -0.14597 -0.00047 135 4YY -0.05570 -0.13813 -0.03178 0.08303 0.03414 136 4ZZ -0.09143 -0.15494 0.12114 0.03579 -0.05836 137 4XY 0.06295 0.16329 -0.07739 -0.02070 0.04331 138 4XZ 0.08838 0.25048 -0.08202 0.06581 -0.00174 139 4YZ -0.07397 -0.17650 0.08249 -0.02355 -0.00416 140 10 H 1S 0.36295 -0.08497 -0.07082 -0.04780 0.17388 141 2S 0.53865 -0.10264 -0.07981 -0.03375 0.18081 142 11 H 1S -0.36657 -0.11537 -0.31860 -0.05319 -0.24553 143 2S -0.76988 -0.04571 -0.63221 0.04999 -0.52362 144 12 H 1S -0.01924 -0.17657 -0.19548 -0.08407 0.36441 145 2S -0.05647 -0.19811 -0.25578 0.20693 0.44154 146 13 H 1S -0.04772 -0.01043 0.16206 -0.34936 -0.13004 147 2S -0.19930 0.04124 0.37051 -0.59729 -0.40947 148 14 C 1S -0.02694 0.01148 0.00713 -0.00043 0.00464 149 2S -0.18110 0.25808 0.16727 0.03040 -0.05870 150 2PX 0.16763 0.01500 0.02699 0.00031 -0.08524 151 2PY -0.12369 -0.02871 -0.00460 0.00452 -0.05426 152 2PZ 0.10921 -0.02642 -0.02401 0.03374 -0.08746 153 3S 4.21649 -1.77885 -0.66993 0.40678 -1.28457 154 3PX 1.30881 -0.71998 -0.29275 0.13754 -0.25537 155 3PY -0.10716 -0.24700 0.12065 0.44454 -1.83278 156 3PZ 0.75005 -0.60123 -0.12928 0.30490 -1.32304 157 4XX 0.11949 -0.02301 0.00117 0.08211 -0.01772 158 4YY -0.07051 0.08490 0.01535 0.02634 0.12984 159 4ZZ -0.05785 -0.05159 -0.00392 -0.10463 -0.12598 160 4XY 0.02062 -0.01620 -0.03285 0.05267 0.05853 161 4XZ 0.03390 0.04211 0.01093 0.01367 0.00147 162 4YZ 0.05441 0.04455 0.06012 0.04348 -0.11105 163 15 H 1S -0.16701 0.11259 -0.01859 -0.13873 0.47482 164 2S -0.11030 0.07740 -0.04364 -0.10637 0.59497 165 16 H 1S -0.15485 -0.07389 -0.01067 0.04166 -0.30163 166 2S -0.01825 -0.15825 0.05685 0.17624 -0.66138 167 17 C 1S 0.01761 -0.00997 -0.00410 0.00805 -0.00972 168 2S 0.25837 0.02464 -0.05023 0.05799 -0.03729 169 2PX -0.06643 0.09163 0.03530 -0.04953 -0.02533 170 2PY 0.01215 -0.08486 -0.00564 0.06703 -0.12029 171 2PZ 0.04375 -0.04346 -0.04174 0.05933 -0.08735 172 3S -2.87795 1.52561 0.66717 -1.50534 2.26587 173 3PX 0.39344 0.15692 0.25757 0.58956 -1.35159 174 3PY 1.20358 -0.43065 -0.24485 0.68561 -0.90992 175 3PZ 0.75537 0.03188 0.24047 0.60257 -1.46359 176 4XX 0.13942 -0.09716 0.00103 -0.13283 -0.18457 177 4YY -0.11134 0.12471 0.08230 -0.08949 0.03616 178 4ZZ 0.00317 -0.04070 -0.08806 0.21174 0.15834 179 4XY -0.09590 0.05655 0.05656 -0.16085 -0.02351 180 4XZ 0.00977 0.10404 0.03968 0.03675 0.01757 181 4YZ 0.06128 -0.06376 -0.07554 0.04761 0.02018 182 18 H 1S -0.05604 -0.12884 -0.07424 -0.10987 0.24860 183 2S -0.25433 -0.09883 -0.14150 -0.27277 0.57719 184 19 H 1S 0.20767 -0.04637 0.00677 0.17348 -0.42688 185 2S 0.19856 -0.00603 0.09764 0.22381 -0.54123 126 127 128 129 130 V V V V V Eigenvalues -- 1.58705 1.62968 1.66206 1.69885 1.71060 1 1 S 1S -0.01325 -0.01194 -0.01049 0.00332 0.00381 2 2S -0.02394 -0.03106 0.00981 -0.01181 -0.00880 3 2PX -0.02668 -0.01835 -0.03133 0.01990 0.01670 4 2PY -0.01323 0.00373 -0.02283 0.01263 -0.00239 5 2PZ 0.01832 0.02369 0.00772 -0.01001 -0.01208 6 3S -0.50106 -0.47359 -0.31644 0.07187 0.09797 7 3PX 0.13869 0.10458 0.17534 -0.09046 -0.08285 8 3PY 0.13737 0.03492 0.12698 -0.07726 0.00308 9 3PZ -0.14118 -0.17980 -0.05142 0.04553 0.06124 10 4S 1.94684 1.66368 0.29410 -0.12318 0.04796 11 4PX -0.70390 -0.66953 -0.15695 0.01279 -0.01684 12 4PY 0.50143 0.25119 0.03563 -0.13323 0.02215 13 4PZ -0.21505 -0.13543 0.01410 0.09760 -0.00247 14 5XX -0.09555 -0.05997 -0.02202 0.03186 0.04911 15 5YY 0.13315 0.13416 0.04227 -0.00261 -0.05877 16 5ZZ 0.07126 -0.00371 0.06015 -0.06536 -0.01882 17 5XY 0.00472 0.08632 -0.05190 0.03969 -0.02125 18 5XZ 0.00356 0.01743 -0.00142 -0.06249 -0.06571 19 5YZ 0.00010 -0.04008 0.04079 -0.05832 0.01853 20 2 O 1S 0.04248 0.03161 0.00441 -0.00626 -0.00170 21 2S 0.68672 0.48011 0.07145 -0.15642 0.00791 22 2PX -0.03386 -0.04489 -0.01889 0.00260 0.00582 23 2PY -0.06540 -0.03827 -0.01844 0.02666 -0.01960 24 2PZ 0.01355 0.00151 -0.01720 -0.02270 -0.01051 25 3S -1.97039 -1.40759 -0.21506 0.38589 -0.00601 26 3PX 0.16241 0.16730 0.05430 -0.02144 -0.00944 27 3PY 0.49405 0.36793 0.07284 -0.09718 0.01127 28 3PZ -0.19029 -0.13517 -0.00426 0.05259 0.03300 29 4XX 0.06921 0.02804 0.02251 -0.00603 0.05903 30 4YY 0.25541 0.16710 0.01497 -0.08386 0.01709 31 4ZZ 0.19449 0.16343 0.01292 -0.01239 -0.07624 32 4XY 0.05840 0.01943 0.03416 -0.05012 0.07550 33 4XZ 0.02796 0.00135 -0.02560 0.05238 0.12229 34 4YZ -0.05445 -0.06049 -0.01971 -0.02026 0.01829 35 3 O 1S 0.00437 0.01667 -0.00163 0.00382 -0.00641 36 2S -0.01383 0.25097 -0.23762 0.15076 0.01725 37 2PX 0.13404 0.06439 0.04910 -0.04771 -0.01645 38 2PY 0.10262 0.10258 0.02372 0.02830 0.00959 39 2PZ -0.07848 0.02700 -0.10110 0.04300 0.02967 40 3S -0.21028 -0.58866 0.33282 -0.24921 0.11395 41 3PX -0.49544 -0.35081 -0.12936 0.18289 -0.02034 42 3PY -0.50906 -0.40332 -0.05555 -0.02183 0.00003 43 3PZ 0.10598 -0.10180 0.12705 -0.06284 0.00808 44 4XX -0.02111 -0.02894 -0.10319 0.00376 -0.00425 45 4YY 0.15304 0.16182 0.06703 0.08422 -0.11187 46 4ZZ -0.11681 0.06669 -0.07141 -0.01963 0.09651 47 4XY 0.00322 0.19545 0.06108 0.15391 0.02240 48 4XZ 0.06248 -0.07977 0.08796 -0.09090 0.07159 49 4YZ 0.04122 0.05089 -0.12023 -0.06215 -0.08957 50 4 C 1S 0.01859 -0.00789 -0.00238 -0.01778 0.00085 51 2S 0.43365 -0.01648 0.06623 -0.11179 -0.19654 52 2PX 0.04433 0.03306 0.11356 -0.00248 0.04125 53 2PY 0.15054 0.04099 -0.00962 0.03297 -0.03372 54 2PZ -0.10660 -0.03257 0.02089 0.02762 0.10908 55 3S -1.37883 1.04395 0.14463 1.45278 0.22883 56 3PX -0.89202 0.20739 -0.24499 0.43144 -0.08687 57 3PY -2.05720 0.40321 -0.32248 0.95129 -0.08844 58 3PZ -0.38068 -0.05767 0.03728 -0.11286 -0.17717 59 4XX -0.15116 -0.02355 -0.13010 0.10615 -0.15189 60 4YY 0.03165 0.02629 0.27824 -0.10200 0.01026 61 4ZZ 0.10252 0.00158 -0.14135 -0.00044 0.15325 62 4XY -0.03657 -0.02869 -0.26828 0.18124 0.05450 63 4XZ -0.06978 -0.04090 0.19633 -0.12672 0.01517 64 4YZ -0.00931 0.04511 -0.00476 0.04442 -0.25764 65 5 C 1S 0.03582 0.01099 0.00348 -0.01963 -0.00430 66 2S 0.42492 0.18523 -0.01736 -0.13146 0.05621 67 2PX -0.02190 0.05244 -0.03379 0.00955 -0.07669 68 2PY -0.14111 0.05505 -0.03362 0.07097 0.22115 69 2PZ 0.04951 0.00055 -0.05998 0.01287 -0.09952 70 3S -1.45430 -0.71992 0.39195 0.60626 0.07772 71 3PX 0.49749 -0.53527 0.11741 -0.63117 -0.31507 72 3PY 0.67200 0.02314 0.52547 0.20734 -0.28709 73 3PZ 0.66498 -0.16600 0.64907 -0.59916 -0.18291 74 4XX -0.02076 0.09947 -0.08342 0.17509 0.03838 75 4YY -0.20736 -0.07626 -0.07238 -0.06153 -0.28407 76 4ZZ 0.25014 -0.02776 0.15380 -0.13612 0.22548 77 4XY -0.13469 -0.10606 -0.08704 -0.10823 -0.01164 78 4XZ 0.02645 0.03310 -0.13851 0.01449 0.19337 79 4YZ 0.14102 0.06837 0.15192 0.03958 -0.14158 80 6 C 1S 0.00059 0.00824 -0.00985 0.00888 0.01057 81 2S 0.08394 0.03228 -0.03636 -0.10733 0.07627 82 2PX 0.05280 -0.03142 0.15230 -0.12907 -0.11196 83 2PY 0.16345 0.04548 -0.09306 -0.01566 -0.23748 84 2PZ 0.02582 -0.03942 0.07482 -0.08781 -0.20220 85 3S -0.87884 -0.40293 1.64799 -0.48685 -1.22668 86 3PX -0.45562 0.31156 -1.09814 0.51529 1.07165 87 3PY -1.56058 0.04798 1.19837 1.11080 0.44865 88 3PZ -0.74676 0.19805 -0.29067 0.65093 0.86002 89 4XX -0.16837 0.02681 0.00510 0.15833 -0.01273 90 4YY 0.18946 -0.12124 0.03914 -0.01203 -0.14955 91 4ZZ -0.02470 0.09215 -0.05192 -0.13956 0.13313 92 4XY 0.07920 -0.07352 -0.00324 0.03201 0.25036 93 4XZ 0.14708 -0.03477 -0.06038 -0.03207 0.09516 94 4YZ -0.17885 0.07606 0.14496 -0.09899 0.11242 95 7 C 1S 0.01748 0.02125 -0.00196 0.00221 0.00790 96 2S 0.14988 0.19087 0.11296 0.00567 0.01841 97 2PX 0.06931 0.00248 -0.05096 -0.06901 0.21556 98 2PY -0.00441 0.06720 -0.15851 0.15923 0.08828 99 2PZ 0.06690 0.04240 -0.09948 -0.04968 0.22308 100 3S 0.20768 -1.34431 0.21619 -1.34491 -0.85940 101 3PX -1.31896 -0.31930 0.95069 0.65767 -0.51123 102 3PY -0.27534 -0.45573 0.83503 -1.23165 -0.32973 103 3PZ -1.00932 -0.13105 1.22935 0.42803 -0.63399 104 4XX -0.04828 -0.18634 0.07545 -0.12786 -0.06804 105 4YY 0.05669 0.05616 -0.06376 0.10676 -0.00786 106 4ZZ 0.03968 0.15637 -0.01927 0.01261 0.05306 107 4XY 0.09830 0.03547 0.06114 -0.01436 0.19369 108 4XZ 0.00327 -0.00211 0.10555 -0.02240 0.02658 109 4YZ -0.11552 -0.08750 -0.00053 -0.09182 0.22665 110 8 C 1S 0.01052 0.00112 0.01791 0.00474 0.00795 111 2S 0.04596 -0.01438 0.01093 0.11214 0.16603 112 2PX -0.04092 -0.06673 0.09001 0.01804 -0.09551 113 2PY 0.12169 -0.01970 0.03146 -0.07154 0.18525 114 2PZ -0.02275 0.08332 0.11475 0.00370 -0.15030 115 3S -0.30385 0.27127 -0.76784 -0.06714 -0.18337 116 3PX -0.49052 -0.38299 -0.13576 0.12042 0.11780 117 3PY 0.50966 0.13579 -1.04191 0.02691 0.37640 118 3PZ 0.06849 -0.20554 -0.62822 0.16260 0.35855 119 4XX -0.01141 -0.03559 0.16606 0.05931 -0.13586 120 4YY 0.03220 0.10199 -0.07014 0.11636 0.25686 121 4ZZ -0.00698 -0.04928 -0.07560 -0.15810 -0.12611 122 4XY -0.12344 -0.06051 0.14952 -0.05106 0.09134 123 4XZ -0.07853 -0.05540 -0.00877 -0.02113 -0.08366 124 4YZ 0.08250 0.13152 0.03983 0.19192 0.07042 125 9 C 1S -0.01895 0.00943 0.00195 0.01549 -0.00557 126 2S -0.09308 0.23947 0.09931 0.40836 -0.21603 127 2PX -0.06943 -0.02145 0.04619 -0.01159 -0.04145 128 2PY -0.04156 0.03882 -0.07339 0.15268 -0.12280 129 2PZ -0.13280 -0.07515 -0.04595 -0.03408 -0.01663 130 3S 2.16520 -0.76286 -0.29608 -1.36433 0.65506 131 3PX -0.13023 0.34109 0.01103 0.39730 0.07961 132 3PY 0.19913 -0.09169 0.02011 -0.40005 0.36504 133 3PZ -0.95488 0.89059 0.62270 1.19273 -0.19033 134 4XX 0.11320 0.04671 0.01657 -0.05420 -0.14604 135 4YY -0.08890 -0.09429 0.12070 -0.11775 0.18519 136 4ZZ -0.03216 0.04255 -0.13126 0.15497 -0.02866 137 4XY 0.16188 0.15028 -0.24624 0.17768 0.09127 138 4XZ -0.02007 -0.07179 0.29864 -0.13685 -0.02665 139 4YZ -0.00733 -0.03538 -0.08689 -0.06492 -0.18971 140 10 H 1S -0.37553 0.00676 -0.18024 0.09044 -0.07664 141 2S -0.72629 0.06632 -0.15327 0.26698 -0.09118 142 11 H 1S 0.30197 0.02003 0.13078 -0.12884 -0.08279 143 2S 0.52739 -0.05755 0.33138 -0.27402 -0.18444 144 12 H 1S 0.09594 0.03578 0.23475 -0.08937 -0.07222 145 2S -0.03455 -0.01540 0.47254 -0.09403 -0.19120 146 13 H 1S 0.09690 -0.13628 -0.18672 -0.23205 -0.02138 147 2S 0.14168 -0.28736 -0.17925 -0.37649 0.00755 148 14 C 1S 0.00149 -0.00313 0.00738 -0.00486 -0.00863 149 2S -0.01533 -0.01905 0.07436 -0.06061 -0.04589 150 2PX -0.03164 0.01204 -0.01480 0.02530 0.05235 151 2PY -0.00640 -0.03652 0.04620 -0.05705 0.10498 152 2PZ 0.05218 -0.01307 -0.01747 -0.05800 0.09319 153 3S -0.10356 0.41385 -1.47342 0.64586 1.32050 154 3PX 0.00054 0.09767 -0.54555 0.16410 0.47257 155 3PY 0.67067 0.01726 -0.30367 -0.43123 -0.45654 156 3PZ 0.21927 0.07584 -0.45650 -0.02049 0.08283 157 4XX 0.09638 0.02727 -0.09560 -0.07118 0.00041 158 4YY 0.19739 -0.43084 -0.14171 -0.13171 -0.00418 159 4ZZ -0.28500 0.38877 0.26170 0.16920 -0.00333 160 4XY 0.19406 -0.23014 -0.17941 -0.05139 -0.17693 161 4XZ 0.02638 -0.13998 -0.09752 0.07454 -0.04674 162 4YZ -0.07507 0.23527 0.11742 -0.02670 -0.08951 163 15 H 1S -0.12374 0.00794 0.07240 0.15804 -0.12301 164 2S -0.19536 -0.07178 0.14741 0.01021 0.16778 165 16 H 1S 0.12822 -0.02701 -0.02735 -0.10373 0.07767 166 2S 0.18975 0.00043 -0.15593 -0.13432 -0.17618 167 17 C 1S -0.00183 -0.00407 0.00511 -0.00785 -0.00474 168 2S -0.02335 -0.02331 0.09823 -0.06674 -0.02921 169 2PX -0.01333 0.00801 -0.05751 0.01719 -0.07448 170 2PY -0.04023 -0.03722 -0.01397 -0.03109 -0.01579 171 2PZ 0.03341 0.02525 -0.03956 0.04458 -0.09693 172 3S 0.20404 0.68551 -0.85816 1.32053 0.53465 173 3PX 0.53021 0.14896 -0.40102 -0.05029 0.32133 174 3PY -0.07351 -0.30574 0.29141 -0.51496 -0.17745 175 3PZ 0.32626 -0.08198 -0.26592 -0.38114 0.26491 176 4XX 0.14570 -0.36255 0.34052 0.50402 0.05761 177 4YY -0.08587 -0.04589 -0.06917 -0.00004 0.05240 178 4ZZ -0.06459 0.39934 -0.23664 -0.53356 -0.11667 179 4XY -0.05938 -0.15880 0.03442 0.10836 -0.07473 180 4XZ -0.13242 -0.01649 -0.02093 -0.15835 0.02831 181 4YZ 0.10845 0.01332 0.06698 0.22809 -0.13552 182 18 H 1S -0.04605 -0.00370 0.09863 -0.01651 0.05258 183 2S -0.20439 -0.00178 0.15783 0.11143 -0.19256 184 19 H 1S 0.14739 0.01142 -0.14577 -0.02456 -0.10606 185 2S 0.15976 0.02789 -0.03573 -0.10041 0.14904 131 132 133 134 135 V V V V V Eigenvalues -- 1.73667 1.74773 1.75773 1.81438 1.83289 1 1 S 1S 0.00794 0.01327 -0.00911 -0.00885 -0.00361 2 2S 0.02371 0.00426 -0.01212 -0.02893 -0.00674 3 2PX 0.00825 0.03670 -0.01273 -0.01094 -0.00865 4 2PY -0.00854 0.01304 -0.01519 0.00110 -0.00518 5 2PZ -0.02139 -0.03087 0.01548 0.02155 0.01469 6 3S 0.33179 0.45088 -0.33447 -0.37419 -0.12908 7 3PX -0.04754 -0.18690 0.08858 0.07573 0.06316 8 3PY 0.03765 -0.07400 0.05658 0.02112 0.04504 9 3PZ 0.13816 0.14889 -0.10662 -0.14162 -0.07583 10 4S -0.78439 -0.89226 0.78108 1.22787 0.11071 11 4PX 0.40024 0.36306 -0.36106 -0.53008 -0.06068 12 4PY 0.03158 -0.16759 0.15203 0.20049 0.04649 13 4PZ 0.05448 0.17106 -0.07589 -0.10400 0.03167 14 5XX 0.04193 0.03603 0.14306 -0.01188 0.05546 15 5YY -0.12135 -0.11380 -0.03035 0.07316 0.00506 16 5ZZ 0.02803 -0.03263 -0.04897 -0.00886 -0.06863 17 5XY -0.04971 -0.03250 0.02912 0.07162 -0.02914 18 5XZ -0.01960 -0.14413 0.09620 0.01184 0.02545 19 5YZ 0.00419 -0.02630 -0.02836 0.03603 -0.01439 20 2 O 1S -0.01010 -0.02271 0.01395 0.01861 0.00076 21 2S -0.04281 -0.21569 0.17071 0.30991 0.03180 22 2PX 0.01480 -0.00971 0.03294 -0.02658 -0.01821 23 2PY -0.01504 -0.01378 0.00147 -0.02900 -0.00605 24 2PZ 0.04786 -0.00080 0.03959 -0.00696 -0.02141 25 3S 0.27541 0.76261 -0.57195 -0.92423 -0.08860 26 3PX -0.06911 -0.05350 0.00529 0.12217 0.03661 27 3PY -0.07998 -0.16066 0.11278 0.22949 0.02401 28 3PZ -0.04227 0.05426 -0.08538 -0.06130 0.01600 29 4XX 0.06641 -0.00391 -0.13579 0.28876 -0.58738 30 4YY 0.00912 -0.16367 0.19328 0.06471 0.03414 31 4ZZ -0.13299 -0.04403 0.09030 -0.14549 0.56460 32 4XY -0.00290 -0.16298 0.20276 0.10523 -0.06323 33 4XZ -0.11359 -0.03348 0.08512 0.03244 -0.19174 34 4YZ 0.01991 -0.05218 0.17033 -0.15092 0.17677 35 3 O 1S -0.02930 -0.02776 0.00974 0.00063 0.00064 36 2S -0.44090 -0.11174 0.35957 0.37435 0.09503 37 2PX -0.01552 -0.15377 -0.06502 -0.09015 -0.09576 38 2PY -0.06610 0.00498 0.06093 0.00789 -0.01958 39 2PZ 0.00366 0.10681 0.04482 0.11063 -0.00546 40 3S 1.17334 0.60527 -0.77523 -0.58563 -0.01937 41 3PX -0.02789 0.18494 0.05360 -0.17642 0.16649 42 3PY 0.21197 0.05640 -0.15926 -0.24815 -0.00198 43 3PZ 0.11860 -0.12280 -0.19546 -0.20765 0.13606 44 4XX -0.02946 -0.18327 0.21988 0.05029 -0.15904 45 4YY -0.20610 0.30277 -0.33271 0.14927 0.12052 46 4ZZ -0.08454 -0.28097 0.29356 -0.02340 0.09934 47 4XY -0.16748 0.12826 0.04164 -0.07617 0.08934 48 4XZ 0.28823 0.07921 0.22185 0.05760 -0.18368 49 4YZ -0.22176 -0.30626 -0.04441 0.17192 0.05755 50 4 C 1S 0.01648 0.00590 -0.01573 -0.00961 0.00261 51 2S 0.17719 -0.01487 -0.46529 -0.12976 -0.04444 52 2PX -0.03278 0.00004 0.05683 0.02855 0.00997 53 2PY -0.00707 -0.07246 -0.15581 0.03525 0.03039 54 2PZ -0.02979 0.03244 0.10537 0.20939 0.03286 55 3S -1.78945 -1.00733 1.29316 1.44439 0.75639 56 3PX -0.31358 -0.37869 0.28445 0.35460 0.12369 57 3PY -1.30286 -0.91230 1.22912 0.88256 0.21461 58 3PZ 0.25509 -0.11382 0.00355 -0.37621 -0.26838 59 4XX -0.14243 -0.04581 -0.13890 -0.10169 -0.10065 60 4YY -0.09322 0.09356 0.09033 -0.02103 -0.04098 61 4ZZ 0.18982 -0.05710 0.04967 0.17015 0.14943 62 4XY 0.14864 0.01806 -0.09136 0.03900 0.01945 63 4XZ -0.08758 0.06285 -0.00815 -0.15258 0.00932 64 4YZ -0.13060 -0.20011 0.03958 -0.04185 -0.13506 65 5 C 1S 0.00296 0.00389 -0.00094 0.02565 0.01163 66 2S -0.07261 -0.08550 -0.02708 0.20301 0.00505 67 2PX -0.00303 0.07242 0.01768 0.16546 0.10755 68 2PY 0.01842 -0.09462 0.10117 -0.02822 0.02889 69 2PZ -0.07662 -0.12471 -0.10672 -0.09229 -0.01010 70 3S 0.44588 0.20397 -0.39059 -1.36832 -0.61105 71 3PX 0.18128 0.16385 0.11711 -0.35552 -0.76357 72 3PY -0.08279 0.40053 -0.21471 0.02882 -0.40600 73 3PZ 0.82562 0.93272 0.20121 -0.22417 -1.21318 74 4XX -0.15310 -0.16584 -0.20974 -0.23985 0.10932 75 4YY -0.04943 -0.04122 0.09411 0.29503 -0.12342 76 4ZZ 0.21831 0.20911 0.11748 -0.07127 0.01291 77 4XY -0.01309 -0.27367 0.11215 -0.11821 -0.15533 78 4XZ 0.01062 0.04640 -0.14161 0.08937 0.20133 79 4YZ -0.05666 0.10418 -0.01055 -0.10030 -0.20682 80 6 C 1S -0.00160 -0.00042 0.01086 -0.00652 -0.00508 81 2S 0.21156 -0.14418 0.36408 -0.23721 -0.01118 82 2PX 0.07355 -0.07041 0.09969 -0.00071 -0.07427 83 2PY 0.08532 0.14263 0.04035 0.07777 -0.00578 84 2PZ 0.06487 0.03605 0.14595 0.01952 -0.03496 85 3S -0.87288 -0.46672 -0.63416 1.47158 1.03668 86 3PX -0.48992 -0.23843 -0.39118 0.15518 2.66708 87 3PY -0.81093 -0.32256 -0.38698 -0.04043 0.38916 88 3PZ -0.44953 -0.87914 -1.15530 0.49221 2.40338 89 4XX -0.02476 0.13232 0.22534 -0.05166 -0.07339 90 4YY 0.01466 -0.07707 -0.15115 -0.00507 -0.01768 91 4ZZ 0.04072 -0.06576 -0.03778 0.06222 0.11925 92 4XY -0.03282 -0.18398 -0.04314 -0.28326 -0.00813 93 4XZ -0.00153 -0.11997 -0.14792 -0.05599 -0.13490 94 4YZ -0.26882 0.10246 -0.09242 0.05759 -0.06872 95 7 C 1S -0.01019 -0.01542 0.00861 0.00517 0.01734 96 2S -0.09306 -0.11731 0.34793 0.41794 0.19750 97 2PX -0.03062 -0.04471 0.04609 0.06514 0.00944 98 2PY -0.03249 0.01638 -0.14745 -0.13985 -0.12902 99 2PZ 0.00209 -0.03605 -0.02840 -0.08959 0.00616 100 3S 1.01534 0.94704 -0.19916 -1.14571 -1.76539 101 3PX -0.40865 0.00848 -1.27697 0.14738 0.20154 102 3PY 0.04956 -0.82026 0.26402 1.22993 3.06551 103 3PZ -0.86059 -0.22948 -0.38213 0.37926 1.20913 104 4XX -0.01771 0.15562 -0.03658 -0.02640 0.02504 105 4YY -0.00703 0.03221 0.12390 -0.01646 0.01097 106 4ZZ 0.05193 -0.19680 -0.03547 0.04065 -0.00611 107 4XY -0.24467 -0.03642 0.07090 -0.02844 -0.07759 108 4XZ -0.11702 -0.00392 -0.20475 -0.07957 -0.06727 109 4YZ -0.06702 -0.03268 -0.16484 0.03639 -0.04869 110 8 C 1S 0.00238 0.01868 -0.01752 -0.00022 -0.00770 111 2S -0.07513 0.03326 -0.28101 -0.14297 -0.17052 112 2PX 0.06808 0.07518 -0.07489 -0.00611 0.00561 113 2PY 0.03655 0.02643 0.05246 0.07054 0.16300 114 2PZ -0.06931 -0.01647 0.05142 0.08594 -0.00022 115 3S -0.27776 -0.86734 1.67405 0.80170 1.00893 116 3PX 0.02807 0.39659 -0.50360 -0.58858 -0.55205 117 3PY 0.71419 0.58349 0.04490 -0.72428 -0.91898 118 3PZ 0.20400 0.35327 -0.26642 -0.24747 -0.54752 119 4XX 0.09308 -0.14535 -0.06866 0.24141 0.12344 120 4YY -0.10443 0.13913 -0.01604 0.07716 -0.10400 121 4ZZ 0.00382 0.00931 0.10906 -0.28369 -0.02539 122 4XY -0.05161 -0.04503 0.11675 0.25366 0.10686 123 4XZ 0.04690 0.15333 -0.01338 -0.08950 0.07354 124 4YZ -0.07946 -0.05145 -0.02444 0.23010 0.00625 125 9 C 1S -0.02503 -0.01186 0.00722 0.01352 -0.00619 126 2S -0.31497 -0.13761 0.11339 0.08920 -0.05650 127 2PX -0.02161 -0.08049 0.03360 0.05379 0.01918 128 2PY -0.04577 -0.09082 0.00192 -0.02419 -0.02415 129 2PZ -0.01956 -0.00829 0.00598 0.03838 -0.00737 130 3S 1.86910 1.45713 -1.39769 -1.34439 -0.59782 131 3PX -0.23616 -0.11803 0.29919 0.25964 -0.12003 132 3PY 0.55985 0.32814 -0.29150 -0.30164 -0.07465 133 3PZ -1.40717 -0.82278 0.90995 1.21007 0.19898 134 4XX 0.08111 -0.11492 0.01884 -0.12129 -0.06359 135 4YY -0.04394 0.04925 -0.02197 0.04202 0.14381 136 4ZZ -0.02669 0.09364 -0.01860 0.09264 -0.08381 137 4XY 0.10504 0.12001 0.13000 -0.13035 -0.13684 138 4XZ -0.06222 -0.08949 0.04793 -0.00523 0.05628 139 4YZ 0.02584 -0.09130 -0.10677 -0.19539 0.00266 140 10 H 1S -0.14502 -0.23298 0.14196 0.07608 0.00389 141 2S -0.37210 -0.25516 0.34331 0.26404 0.00824 142 11 H 1S 0.06389 0.14095 0.02194 0.12338 -0.11246 143 2S 0.16665 0.33985 0.03124 0.00398 -0.53446 144 12 H 1S -0.04642 -0.12308 -0.09990 -0.02422 0.05671 145 2S -0.16209 -0.16985 -0.05806 0.20350 0.32698 146 13 H 1S 0.23914 0.01328 -0.11321 -0.30952 0.04431 147 2S 0.38675 0.22338 -0.24674 -0.33074 -0.01479 148 14 C 1S 0.00501 -0.00181 0.00746 0.00142 -0.00350 149 2S -0.04656 -0.04658 -0.04796 0.04311 0.14752 150 2PX -0.05294 -0.01201 -0.04226 -0.02118 0.18956 151 2PY -0.03714 -0.02508 0.00790 -0.07817 -0.09823 152 2PZ 0.01180 -0.07602 -0.08964 -0.01995 0.07056 153 3S -0.12497 -0.20852 -0.43833 -0.18246 1.96353 154 3PX 0.10106 -0.17438 -0.17631 -0.05386 0.78218 155 3PY 0.27866 0.16321 0.13240 -0.04861 -0.57008 156 3PZ 0.04174 0.18281 0.21928 -0.24652 0.08740 157 4XX 0.15744 -0.21982 -0.18097 0.08425 0.08342 158 4YY -0.39763 0.15079 0.07928 0.03149 -0.08320 159 4ZZ 0.24524 0.05598 0.09726 -0.12342 0.01276 160 4XY -0.06297 0.06445 0.05086 0.18385 0.17050 161 4XZ -0.21299 0.22045 0.15599 0.04919 -0.05148 162 4YZ 0.18174 -0.11135 -0.17270 0.11140 -0.09267 163 15 H 1S 0.05449 0.03857 0.06742 0.13742 0.19570 164 2S -0.06503 -0.11016 -0.07987 -0.01804 0.16224 165 16 H 1S 0.03417 -0.05731 0.00585 -0.16598 -0.10465 166 2S 0.10502 0.07840 0.11037 -0.01870 -0.07220 167 17 C 1S 0.00511 -0.00311 0.00738 0.00356 0.00819 168 2S -0.03377 -0.00945 0.02153 -0.00812 -0.05982 169 2PX 0.08584 0.04378 0.01095 0.00382 0.00560 170 2PY 0.07016 -0.00516 0.01303 0.03885 0.11811 171 2PZ 0.05662 0.04535 0.05537 -0.02032 0.03066 172 3S -0.24410 0.39265 -0.34331 -0.59812 -1.78320 173 3PX 0.17207 0.02798 0.44477 -0.22523 -0.41776 174 3PY 0.04534 -0.12095 0.06505 0.08401 0.64132 175 3PZ 0.35102 -0.06097 0.20697 -0.01810 -0.02711 176 4XX 0.00344 -0.19449 0.00065 -0.02808 0.04344 177 4YY 0.09464 -0.01294 -0.08477 0.10923 0.01505 178 4ZZ -0.10445 0.18862 0.07908 -0.08090 -0.04004 179 4XY 0.22243 -0.02611 -0.06691 0.13364 0.09165 180 4XZ 0.00499 0.01839 -0.17428 0.00382 0.05743 181 4YZ -0.02092 0.04881 0.14730 -0.17394 -0.00739 182 18 H 1S -0.15158 -0.06324 -0.04274 0.08477 0.01201 183 2S -0.07058 0.03127 -0.10112 0.07272 0.09373 184 19 H 1S 0.21365 0.06119 0.19784 -0.01327 0.00843 185 2S 0.05806 -0.03940 0.14401 -0.00533 -0.13763 136 137 138 139 140 V V V V V Eigenvalues -- 1.84237 1.85221 1.86526 1.89672 1.91417 1 1 S 1S -0.00968 0.00775 -0.00258 -0.00180 -0.00564 2 2S -0.02576 0.01465 0.02441 -0.06473 0.00031 3 2PX -0.02074 0.00985 0.00089 0.01809 -0.00871 4 2PY -0.01381 0.00397 0.00428 -0.00811 -0.00427 5 2PZ 0.01237 -0.00591 0.01985 -0.03097 0.01765 6 3S -0.37736 0.29960 -0.03642 -0.21960 -0.20517 7 3PX 0.13447 -0.06358 0.00768 -0.05373 0.05122 8 3PY 0.09058 -0.02644 -0.03668 0.07331 0.01959 9 3PZ -0.09396 0.04413 -0.08924 0.08026 -0.11753 10 4S 0.95395 -0.85423 -0.55509 1.56699 0.25108 11 4PX -0.40077 0.37573 0.18063 -0.66623 -0.12397 12 4PY 0.15831 -0.14866 -0.17462 0.28142 0.07112 13 4PZ 0.00016 -0.02319 -0.05556 0.08058 -0.04430 14 5XX -0.06326 -0.02960 0.09539 -0.02112 0.02608 15 5YY 0.00281 -0.03867 0.04584 -0.04326 0.06320 16 5ZZ 0.07563 0.01379 -0.06426 -0.02233 -0.00155 17 5XY 0.01806 -0.08222 -0.00811 0.05891 -0.00061 18 5XZ -0.01715 -0.08464 0.09623 -0.14526 0.04864 19 5YZ 0.03901 0.00554 -0.05595 0.01743 0.01721 20 2 O 1S 0.01286 -0.01087 -0.00816 0.01732 0.00319 21 2S 0.22377 -0.16927 -0.15773 0.35651 0.08029 22 2PX -0.00188 0.00037 -0.00430 -0.03643 -0.01445 23 2PY -0.01776 0.01123 0.03035 -0.03371 0.00948 24 2PZ 0.00738 0.00787 -0.01214 0.03309 -0.00757 25 3S -0.66928 0.53529 0.44919 -1.03076 -0.22786 26 3PX 0.05998 -0.04858 -0.02025 0.14749 0.04220 27 3PY 0.15272 -0.12460 -0.10775 0.22869 0.03700 28 3PZ -0.07133 0.03832 0.05523 -0.14731 -0.00923 29 4XX 0.47571 -0.10411 0.03142 0.04170 0.00459 30 4YY -0.03364 -0.10634 -0.09406 0.21274 0.00727 31 4ZZ -0.29280 0.09583 -0.04470 -0.04397 0.02348 32 4XY 0.11862 0.28168 -0.02176 -0.03895 0.04379 33 4XZ -0.01208 0.83034 0.15391 -0.11094 0.05389 34 4YZ -0.24385 -0.00494 -0.06081 0.08011 -0.01491 35 3 O 1S 0.01724 -0.01361 -0.00978 0.01643 -0.00651 36 2S 0.15352 -0.02200 -0.17999 0.29269 0.19051 37 2PX 0.00391 0.01177 0.03149 0.03591 -0.07360 38 2PY 0.06145 0.00757 0.02676 -0.00293 0.01761 39 2PZ -0.08451 -0.00917 0.02312 0.05003 0.10538 40 3S -0.49758 0.14754 0.59529 -0.80978 -0.07610 41 3PX 0.01821 0.13369 -0.13827 -0.05396 -0.08938 42 3PY -0.18618 0.08297 -0.06576 -0.13086 -0.14183 43 3PZ 0.14369 0.06281 0.04799 -0.18814 -0.18924 44 4XX -0.07119 -0.07193 0.04746 0.35343 0.01436 45 4YY -0.12153 0.04272 0.08490 -0.02766 0.08807 46 4ZZ 0.33467 -0.06956 -0.25381 -0.16108 -0.05116 47 4XY 0.27346 -0.05292 0.02313 -0.13425 0.03189 48 4XZ -0.17518 -0.09033 0.11855 0.03969 0.08231 49 4YZ -0.00067 0.04995 -0.20244 0.26275 0.00683 50 4 C 1S 0.00192 0.00713 0.00549 -0.00403 0.00817 51 2S 0.02427 0.14209 0.09424 -0.15019 -0.13073 52 2PX 0.03572 -0.03844 -0.01193 -0.04138 -0.03515 53 2PY 0.04408 0.03353 -0.09161 -0.08879 0.01996 54 2PZ -0.07262 -0.05318 0.01886 0.07432 -0.02271 55 3S 0.67291 -0.79510 -0.05107 0.50157 0.37102 56 3PX 0.03746 -0.11166 0.06387 0.19215 0.21480 57 3PY 0.11297 -0.68613 -0.36002 0.29256 0.27330 58 3PZ 0.09539 0.11320 0.07690 -0.15965 -0.12622 59 4XX -0.05642 0.00556 -0.04989 0.00328 0.02365 60 4YY -0.02825 -0.02643 0.20475 0.04117 -0.29692 61 4ZZ 0.05990 0.01531 -0.16352 -0.01100 0.26977 62 4XY -0.06804 0.05244 0.22777 0.29573 -0.03460 63 4XZ 0.13876 -0.01940 -0.26221 -0.27290 -0.11731 64 4YZ -0.04778 -0.04477 0.07433 -0.05154 0.03656 65 5 C 1S 0.00778 -0.01045 -0.02746 -0.00232 0.02101 66 2S -0.08754 -0.35770 0.21576 -0.04504 0.23797 67 2PX -0.02476 0.02061 -0.02711 0.04051 0.08770 68 2PY 0.04018 -0.10688 -0.00084 -0.04272 0.01559 69 2PZ 0.01635 -0.01403 0.18321 0.03866 -0.11234 70 3S -0.38627 1.15314 0.00061 -0.06338 -1.54103 71 3PX -0.36821 -0.06711 -0.55729 -0.21401 -0.08024 72 3PY -0.45521 0.24174 -0.02304 -0.03442 -0.26071 73 3PZ -0.85160 -0.00323 -0.12518 -0.18694 0.17110 74 4XX 0.20782 0.05930 0.11926 0.08840 -0.15495 75 4YY -0.22741 -0.03315 -0.17716 -0.12307 0.07476 76 4ZZ 0.03075 0.01164 -0.00531 0.01316 0.05767 77 4XY -0.01204 -0.06407 -0.01194 -0.01836 -0.13335 78 4XZ 0.11513 0.03536 0.09899 -0.06023 0.01806 79 4YZ -0.11003 0.05126 -0.05036 0.00798 -0.03408 80 6 C 1S -0.00446 -0.00428 -0.00618 0.00071 -0.02468 81 2S 0.15655 -0.09512 -0.04586 0.16638 -0.48917 82 2PX -0.01604 -0.00773 0.00304 0.03618 -0.05865 83 2PY 0.03218 0.02336 -0.01664 0.04573 0.14884 84 2PZ 0.01608 -0.01397 -0.06671 -0.04426 0.02120 85 3S 0.46243 0.47949 0.69864 0.24282 2.28280 86 3PX 2.13246 0.17103 1.39853 0.64992 1.14765 87 3PY -0.00826 0.47397 0.59934 0.28588 -0.31824 88 3PZ 1.49241 0.56262 1.39558 0.49598 0.46543 89 4XX 0.00667 -0.03725 0.04221 -0.15173 0.09042 90 4YY -0.13378 0.15017 -0.25737 0.23630 -0.03500 91 4ZZ 0.15151 -0.09352 0.21614 -0.08907 -0.10512 92 4XY 0.03560 -0.02172 0.08642 0.14595 -0.04966 93 4XZ -0.13434 -0.04226 -0.07953 -0.04684 0.24791 94 4YZ -0.06957 -0.09503 -0.08915 0.03233 0.03058 95 7 C 1S 0.01876 0.00120 0.00510 0.00861 -0.01159 96 2S 0.16834 -0.05811 0.16893 -0.02206 -0.14990 97 2PX -0.00011 -0.14610 0.08484 -0.04682 -0.04926 98 2PY -0.03203 -0.05173 -0.13033 0.02108 -0.12794 99 2PZ -0.07299 -0.03897 -0.01050 -0.03657 -0.06082 100 3S -1.57705 0.08850 -1.11139 -0.10298 0.25684 101 3PX -0.31336 0.87432 -0.21876 0.59169 -0.00410 102 3PY 2.18353 0.47709 2.13844 0.35709 2.51283 103 3PZ 0.98420 0.67875 0.83859 1.01572 1.39589 104 4XX 0.05959 0.11977 -0.01982 0.20751 -0.21954 105 4YY 0.09234 -0.08351 0.13072 -0.03151 0.29680 106 4ZZ -0.17132 0.02941 -0.12078 -0.17066 -0.13838 107 4XY -0.16948 -0.02780 0.08257 -0.02771 -0.06864 108 4XZ 0.11044 -0.01939 -0.16450 0.21757 0.14380 109 4YZ -0.11915 -0.06017 0.08256 -0.06939 0.15783 110 8 C 1S 0.01076 0.01351 -0.03569 0.04284 0.00424 111 2S -0.17382 -0.11648 0.03444 0.28781 -0.04770 112 2PX 0.04999 0.02185 -0.19784 0.15230 -0.05511 113 2PY 0.03360 -0.01929 -0.10746 -0.04905 0.14379 114 2PZ 0.07043 0.02267 0.07792 0.06401 0.06332 115 3S 0.63850 -0.70616 1.16676 -1.46454 0.35286 116 3PX -0.78411 0.36102 0.01044 -0.25847 -0.23970 117 3PY -0.44512 -0.05537 -0.14769 -0.31764 -1.02788 118 3PZ -0.67492 -0.16930 -0.60131 0.28262 -0.72262 119 4XX 0.18820 -0.00600 0.10871 -0.01172 0.05318 120 4YY -0.07107 0.04011 -0.31109 0.02639 -0.26531 121 4ZZ -0.10392 0.00115 0.23966 -0.02044 0.24139 122 4XY -0.02967 0.02591 0.10347 0.19730 0.17351 123 4XZ 0.14055 0.00525 -0.05736 0.36664 0.11559 124 4YZ -0.07823 -0.16571 0.13285 -0.17840 -0.12162 125 9 C 1S -0.00378 -0.00626 -0.00785 -0.00009 0.00386 126 2S 0.06485 -0.23902 0.16858 0.05704 0.12017 127 2PX -0.00959 -0.03200 0.04407 -0.01336 0.00199 128 2PY 0.01361 -0.10680 -0.01789 -0.08152 0.06530 129 2PZ -0.06897 0.01690 -0.01515 0.04170 -0.10680 130 3S -0.56600 0.95223 -0.14256 -0.25939 -0.85917 131 3PX 0.12627 -0.17812 -0.16655 0.13132 -0.11070 132 3PY 0.08178 0.39295 -0.12568 -0.04133 -0.17704 133 3PZ 0.38761 -0.60628 0.17801 0.34413 0.32052 134 4XX 0.03264 -0.02374 0.11619 -0.15935 0.10639 135 4YY 0.06943 0.08984 -0.30139 0.01344 0.13085 136 4ZZ -0.14631 -0.05354 0.20494 0.14053 -0.24529 137 4XY 0.00529 -0.02113 -0.25653 0.03150 -0.00044 138 4XZ 0.05342 0.00128 0.18488 0.12717 -0.07034 139 4YZ 0.08302 0.02872 0.03790 -0.20312 0.23506 140 10 H 1S 0.02597 -0.07840 -0.32858 -0.14166 0.24922 141 2S -0.06924 -0.18020 -0.06815 0.15272 0.01789 142 11 H 1S -0.12086 -0.10626 -0.04304 0.01139 0.16708 143 2S -0.38963 -0.07905 -0.09299 -0.11115 0.15878 144 12 H 1S 0.18888 0.11031 -0.16956 0.04653 0.10033 145 2S 0.26548 0.04437 0.16621 0.11079 0.46657 146 13 H 1S 0.09168 0.10434 -0.21487 -0.26797 0.28318 147 2S -0.11965 0.17752 0.01882 -0.05147 -0.10676 148 14 C 1S -0.00156 0.00087 0.00390 0.00037 -0.01034 149 2S 0.11663 0.05504 0.10855 0.11872 -0.07788 150 2PX 0.14743 0.04458 0.07337 0.12432 -0.10304 151 2PY -0.04864 -0.07225 0.00591 -0.01475 0.06704 152 2PZ 0.05639 -0.01442 0.07410 0.07065 -0.02980 153 3S 1.54009 0.03819 0.86432 0.35956 0.46742 154 3PX 0.64444 0.04115 0.40813 0.11265 0.11872 155 3PY -0.29269 -0.12539 -0.52162 -0.07501 -0.06150 156 3PZ 0.27343 -0.08928 -0.09868 0.09179 0.09535 157 4XX 0.01229 0.00216 0.04949 -0.12246 -0.03320 158 4YY -0.00229 -0.10594 -0.03996 -0.00657 -0.06857 159 4ZZ -0.01295 0.11647 -0.01759 0.17620 0.00336 160 4XY 0.13966 0.05836 0.03245 -0.07307 -0.18149 161 4XZ -0.01056 -0.02769 -0.02399 -0.09555 0.14633 162 4YZ -0.23699 0.06363 -0.19501 -0.07244 0.04847 163 15 H 1S 0.11652 0.11444 0.12558 -0.02865 -0.07313 164 2S 0.10162 0.02675 0.20029 0.05839 0.02202 165 16 H 1S 0.03861 -0.08640 0.04607 0.05675 0.00180 166 2S 0.02282 0.00274 -0.17409 0.01639 -0.04295 167 17 C 1S -0.00095 0.00572 0.00725 -0.00315 -0.00800 168 2S -0.14803 0.04379 -0.10220 0.01464 -0.25956 169 2PX 0.03754 0.01697 -0.04962 0.00663 -0.13610 170 2PY 0.13716 -0.03138 0.14313 -0.00115 0.31284 171 2PZ 0.10029 0.01010 0.01927 0.03268 0.02738 172 3S -1.05927 -0.41767 -1.27274 -0.25687 -1.60723 173 3PX -0.12708 -0.40832 -0.26346 -0.35483 -0.34888 174 3PY 0.46153 0.20090 0.51077 0.19568 0.67043 175 3PZ -0.03556 -0.22315 -0.07426 -0.37444 -0.20022 176 4XX -0.06779 0.00883 -0.09010 0.01276 0.07336 177 4YY 0.00321 -0.05432 0.03395 -0.10635 -0.00293 178 4ZZ 0.04816 0.09374 0.05205 0.10282 -0.16505 179 4XY 0.07630 0.05168 -0.11224 -0.06217 -0.28914 180 4XZ 0.11810 0.03876 0.08056 0.11846 0.23572 181 4YZ 0.16609 -0.01097 -0.02241 0.12299 0.15703 182 18 H 1S -0.17011 0.01777 0.08641 -0.03312 0.06301 183 2S 0.03831 0.14923 0.00851 0.17067 0.02689 184 19 H 1S 0.09777 -0.05023 -0.09895 -0.11620 -0.26406 185 2S -0.15178 -0.15088 -0.10254 -0.17760 -0.09726 141 142 143 144 145 V V V V V Eigenvalues -- 1.93065 1.97135 1.98633 2.02153 2.03499 1 1 S 1S -0.00325 -0.01021 0.00108 -0.01068 0.00981 2 2S 0.01024 0.06200 0.01197 0.00018 -0.03792 3 2PX 0.00317 -0.02912 -0.00202 -0.01109 0.01857 4 2PY 0.00285 0.00283 0.02847 0.01399 0.01827 5 2PZ 0.00973 0.03157 0.03358 0.01223 0.01624 6 3S -0.07384 -0.19972 0.07219 -0.37309 0.22498 7 3PX 0.00489 0.13571 0.01193 0.06455 -0.10839 8 3PY -0.01830 -0.06297 -0.15039 -0.03253 -0.06803 9 3PZ -0.03852 -0.13857 -0.18883 -0.04368 -0.07867 10 4S -0.21209 -0.93738 -0.36939 0.71725 0.38589 11 4PX 0.05699 0.34631 0.15248 -0.32711 -0.11933 12 4PY -0.01596 -0.16133 -0.20123 0.10051 0.10772 13 4PZ -0.04381 -0.08725 -0.11954 0.00578 -0.17188 14 5XX -0.04331 -0.00350 -0.04539 -0.01456 0.00274 15 5YY 0.05611 0.18591 -0.03193 -0.01234 -0.17159 16 5ZZ 0.00314 0.02273 0.07157 0.15215 0.06220 17 5XY -0.16092 -0.09224 0.03805 -0.01759 0.12659 18 5XZ 0.07236 0.24686 0.10464 -0.01981 -0.04149 19 5YZ -0.04568 -0.00227 -0.06914 -0.16383 -0.01955 20 2 O 1S -0.00520 -0.00536 -0.00611 0.00619 0.00170 21 2S -0.11812 -0.28919 -0.05255 0.16763 0.16480 22 2PX 0.00329 0.03792 -0.03253 -0.04374 0.03398 23 2PY 0.01653 0.05532 -0.01058 -0.02205 -0.05045 24 2PZ -0.05054 -0.01530 -0.01390 -0.04076 -0.01436 25 3S 0.26172 0.68482 0.24028 -0.45854 -0.39638 26 3PX -0.01160 -0.10707 0.03833 0.12927 -0.04977 27 3PY -0.04789 -0.17239 -0.00645 0.14673 0.14314 28 3PZ 0.10602 0.07439 0.08034 0.03954 0.03964 29 4XX 0.13489 0.14543 -0.07314 -0.02624 0.09637 30 4YY -0.17047 -0.00728 -0.18072 -0.16696 -0.20315 31 4ZZ -0.04994 -0.25897 0.20165 0.25481 0.16094 32 4XY -0.38018 -0.24106 -0.03718 -0.12514 0.19659 33 4XZ -0.00629 0.00548 0.18360 0.04503 -0.09184 34 4YZ -0.17545 0.00616 -0.18508 -0.31022 -0.20818 35 3 O 1S 0.01002 -0.01727 -0.00021 -0.00444 0.01099 36 2S -0.16452 0.00773 -0.09476 0.23648 0.13511 37 2PX 0.11718 -0.11141 0.14629 -0.12054 0.04926 38 2PY -0.05994 -0.00553 0.04258 -0.09739 0.05533 39 2PZ -0.03012 0.07903 0.09405 0.05215 -0.00198 40 3S 0.05606 0.58118 0.40073 -0.40747 -0.33782 41 3PX -0.04093 -0.00074 -0.50480 0.11996 -0.16464 42 3PY 0.12455 0.01112 -0.12908 0.15257 -0.24422 43 3PZ 0.03677 0.00571 -0.21293 -0.05638 0.00609 44 4XX 0.04759 -0.02389 0.10351 -0.05934 -0.12238 45 4YY 0.23775 -0.07626 0.08908 0.20782 0.14916 46 4ZZ -0.29872 0.04733 -0.22479 -0.06494 0.08245 47 4XY 0.02917 -0.02103 -0.02252 0.00865 -0.03166 48 4XZ -0.22687 0.06698 0.03094 0.00277 -0.08420 49 4YZ 0.17854 0.07984 -0.12389 0.17895 -0.10363 50 4 C 1S 0.00017 -0.00310 -0.00692 -0.02615 -0.03303 51 2S -0.03695 -0.40322 -0.38217 -0.74303 -0.14697 52 2PX 0.04937 -0.07320 0.08283 -0.06168 -0.09980 53 2PY 0.03650 -0.11874 -0.02529 -0.25937 -0.11464 54 2PZ 0.00196 0.00620 0.18862 0.09982 -0.16827 55 3S -0.32583 1.36496 1.61447 2.38936 -0.35856 56 3PX -0.09615 0.37057 0.16960 0.78241 -0.22730 57 3PY -0.00389 0.75496 1.24363 1.81542 -0.27303 58 3PZ -0.22669 -0.08264 -0.61453 0.18169 -0.23351 59 4XX -0.00751 -0.13542 0.10152 -0.10151 -0.31020 60 4YY -0.09791 0.01206 -0.18205 0.16531 0.10687 61 4ZZ 0.15629 0.13078 0.14027 -0.01327 0.01778 62 4XY -0.14499 0.06979 -0.15932 0.17028 0.19320 63 4XZ -0.12079 0.01202 0.08798 -0.01784 0.33822 64 4YZ 0.02015 -0.03193 -0.01367 -0.07507 0.17804 65 5 C 1S -0.00471 0.03411 0.05055 -0.02604 0.01094 66 2S -0.28343 0.07153 0.53274 -0.04312 0.34668 67 2PX -0.14845 0.15869 -0.06951 -0.00023 0.07057 68 2PY 0.04311 -0.04934 0.16611 0.19409 -0.02465 69 2PZ 0.00114 -0.08493 0.00374 -0.14215 0.07378 70 3S 1.03327 -1.51851 -2.44149 0.74935 -1.00561 71 3PX -0.03378 -0.62625 0.23008 -0.53403 0.03239 72 3PY 0.46784 -0.51511 0.02364 -0.05156 0.14798 73 3PZ -0.02926 -0.44658 0.22323 -0.29449 -0.42127 74 4XX 0.08609 -0.05091 -0.02080 -0.35668 -0.01579 75 4YY -0.05446 0.04579 0.04340 0.13361 0.17005 76 4ZZ -0.00750 0.03947 -0.07395 0.24123 -0.21102 77 4XY 0.15136 -0.23405 0.01798 0.24886 0.06118 78 4XZ -0.16819 0.13773 -0.18484 0.15100 0.01307 79 4YZ 0.00611 -0.15425 -0.36283 0.09907 -0.09590 80 6 C 1S 0.00645 0.01378 0.01224 0.00816 -0.00038 81 2S 0.33213 -0.19681 0.48897 0.37974 0.01882 82 2PX 0.18590 -0.24174 0.05430 0.18963 -0.02194 83 2PY -0.12492 0.00895 0.02509 -0.19320 0.04074 84 2PZ 0.03169 -0.08839 0.10053 0.07205 0.06306 85 3S -0.30961 0.48473 -1.12725 -0.75408 0.29881 86 3PX -0.71813 2.11410 -0.98669 -1.53736 0.41800 87 3PY 0.91589 -0.19134 -0.80588 1.07497 -0.42608 88 3PZ 0.04102 0.83430 -1.33947 -0.67694 0.21904 89 4XX 0.08274 -0.13146 -0.12516 0.10808 -0.02839 90 4YY -0.01596 0.30286 0.04592 -0.23693 0.13847 91 4ZZ -0.06894 -0.05568 0.10682 0.06332 -0.12713 92 4XY 0.07508 0.05942 0.12229 0.04551 0.07531 93 4XZ -0.01450 -0.20444 -0.09285 0.07422 0.03952 94 4YZ -0.23011 0.07487 0.19585 -0.01940 -0.08195 95 7 C 1S 0.00630 0.02153 -0.00075 0.00009 0.00158 96 2S 0.54828 0.32523 -0.50202 -0.13083 0.19239 97 2PX 0.13092 0.06744 0.03049 -0.13288 0.05536 98 2PY -0.21499 0.08026 0.18799 0.10148 -0.17599 99 2PZ -0.00352 0.04398 0.12259 -0.06625 0.02163 100 3S -0.98385 -2.10407 0.88416 0.77017 0.11351 101 3PX -0.55474 -0.73857 -0.86545 0.85755 -0.21878 102 3PY 0.82341 0.60873 -1.16552 -1.47848 0.84411 103 3PZ -0.05985 0.40675 -1.22543 0.16476 0.12378 104 4XX -0.03971 -0.02266 -0.01949 -0.02490 -0.20209 105 4YY 0.07073 -0.17612 0.03212 -0.15763 0.07540 106 4ZZ -0.06848 0.24355 0.04950 0.22064 0.07918 107 4XY 0.07671 0.14747 -0.12500 -0.07112 -0.01272 108 4XZ -0.23184 0.09186 0.02281 0.10886 -0.05928 109 4YZ -0.01663 -0.10644 -0.08421 -0.12388 0.03047 110 8 C 1S -0.02059 -0.02740 -0.03441 0.03087 0.00168 111 2S -0.34897 -0.54574 -0.88055 0.36447 0.29534 112 2PX -0.05279 -0.08971 0.12287 0.04425 -0.05235 113 2PY 0.24282 -0.00210 -0.00430 -0.18408 0.09086 114 2PZ -0.07704 0.10952 0.24273 0.03249 -0.11037 115 3S 1.30543 2.10218 2.60368 -1.39516 -0.77809 116 3PX -0.28140 -0.08973 -0.44447 0.16826 0.26340 117 3PY -0.29647 -0.00751 -0.07431 -0.17252 0.49305 118 3PZ -0.12315 -1.08198 -0.42645 0.00361 0.36909 119 4XX -0.12381 -0.15164 0.07984 0.07705 -0.22366 120 4YY 0.05356 -0.17053 -0.02849 -0.13832 0.00380 121 4ZZ 0.07644 0.39956 0.05137 0.02011 0.16199 122 4XY 0.25023 -0.12100 0.01287 -0.17298 0.14127 123 4XZ -0.10016 -0.23547 0.16183 -0.13220 0.20927 124 4YZ -0.15150 -0.03313 0.21324 -0.17566 -0.04415 125 9 C 1S 0.00349 0.00133 0.01848 0.00596 -0.04973 126 2S -0.31631 0.10714 0.32594 0.38034 -0.71398 127 2PX 0.02514 -0.00816 0.04028 0.01759 0.11194 128 2PY -0.15709 0.04594 0.16577 0.08693 0.03134 129 2PZ 0.05842 -0.03273 -0.00978 -0.06043 0.29245 130 3S 0.12199 -1.03483 -1.73236 -1.96075 1.97522 131 3PX -0.22929 0.17070 0.23630 0.47281 -0.41171 132 3PY -0.00975 -0.11208 -0.82179 0.04813 0.20410 133 3PZ -0.39842 0.62271 1.20602 1.35386 -1.38053 134 4XX 0.05415 -0.07308 0.05160 -0.01380 -0.36292 135 4YY 0.19949 0.05179 -0.07244 -0.02844 -0.00838 136 4ZZ -0.21104 0.01224 0.02455 -0.02197 0.24511 137 4XY 0.06341 0.01120 0.06083 0.05881 0.22160 138 4XZ 0.00154 -0.00519 -0.02639 0.08354 0.30251 139 4YZ -0.13647 0.22497 -0.08206 0.00375 0.07901 140 10 H 1S 0.16254 0.01107 0.28506 -0.00500 -0.13901 141 2S 0.01764 0.17667 0.29302 0.59993 -0.06452 142 11 H 1S -0.01535 0.07572 0.56185 -0.44747 0.11844 143 2S -0.04444 -0.19349 0.26602 -0.09387 -0.00906 144 12 H 1S -0.04028 0.03945 -0.33040 0.36084 -0.19931 145 2S 0.02417 0.13883 0.08829 -0.01222 -0.07928 146 13 H 1S 0.14670 0.05612 -0.14301 -0.11225 -0.08515 147 2S 0.14854 -0.14610 -0.34563 -0.33066 0.41228 148 14 C 1S 0.00875 0.00566 0.01012 -0.00154 0.00067 149 2S 0.00937 0.20243 0.03541 -0.11118 0.02244 150 2PX -0.02478 0.21283 0.02310 -0.10445 0.03472 151 2PY -0.00092 -0.07324 0.08844 0.02642 -0.00346 152 2PZ -0.02984 0.08882 0.07177 -0.05464 -0.00040 153 3S -0.56608 1.19563 -0.75900 -0.94598 0.28714 154 3PX -0.13430 0.28225 -0.32517 -0.29079 0.07994 155 3PY -0.44780 -0.20389 0.35282 0.12386 0.06857 156 3PZ -0.32970 0.20383 0.03388 -0.05917 0.07355 157 4XX -0.01125 -0.13119 -0.06641 0.07861 0.05565 158 4YY -0.10517 0.00461 0.21434 0.01557 -0.06810 159 4ZZ 0.12108 0.20680 -0.05657 -0.13207 0.01918 160 4XY 0.01945 0.12127 -0.08861 -0.14123 0.02948 161 4XZ 0.03107 -0.12626 -0.23149 0.03304 -0.02781 162 4YZ -0.03626 -0.04386 -0.03391 -0.08046 0.04973 163 15 H 1S 0.18909 0.10002 -0.21883 -0.11304 0.01660 164 2S 0.13885 0.00111 -0.00903 -0.00608 -0.05308 165 16 H 1S -0.08109 -0.06838 0.16469 0.16900 -0.01454 166 2S -0.16777 0.01327 0.05523 -0.04133 0.03359 167 17 C 1S 0.00791 0.00442 -0.00485 0.00088 0.00186 168 2S -0.00545 0.05700 -0.00391 0.13385 -0.00970 169 2PX -0.02865 0.01519 0.05475 0.02113 -0.00596 170 2PY 0.02983 -0.11623 -0.02314 -0.12026 0.06155 171 2PZ -0.00370 -0.03346 0.04368 -0.03896 -0.00214 172 3S -0.45934 -0.10468 0.67132 0.75251 -0.65215 173 3PX 0.30073 0.03436 0.43535 0.03972 -0.17661 174 3PY 0.05709 0.10076 -0.19303 -0.15322 0.17049 175 3PZ 0.22797 -0.14014 0.29581 -0.01492 -0.04850 176 4XX -0.04097 0.21181 -0.03194 0.10654 0.00101 177 4YY 0.01840 -0.21162 0.02952 -0.08243 0.06349 178 4ZZ 0.02188 0.08980 -0.01555 0.01994 -0.09961 179 4XY -0.02963 -0.07851 0.10701 0.09754 -0.08227 180 4XZ -0.15141 -0.09516 0.01461 0.08384 -0.07591 181 4YZ -0.00242 -0.03734 0.09965 0.07009 -0.01581 182 18 H 1S 0.03140 0.08070 -0.17740 -0.15477 0.14848 183 2S -0.11405 0.00622 -0.13873 0.02687 0.01184 184 19 H 1S 0.12212 -0.10096 0.16051 0.01409 -0.03110 185 2S 0.15800 0.02303 0.09591 -0.02250 -0.03307 146 147 148 149 150 V V V V V Eigenvalues -- 2.05121 2.09030 2.12165 2.15837 2.17264 1 1 S 1S -0.00175 0.00489 -0.00580 -0.00378 -0.00386 2 2S 0.03456 -0.01346 0.01363 -0.05174 0.01507 3 2PX -0.03617 -0.00384 0.00677 0.05027 -0.02068 4 2PY 0.00815 0.00619 -0.01448 -0.00762 -0.00733 5 2PZ 0.03796 -0.00217 -0.00345 0.02332 0.00436 6 3S 0.01818 0.14266 -0.15831 -0.25891 -0.06946 7 3PX 0.14027 0.00789 -0.01812 -0.18707 0.12828 8 3PY -0.07109 -0.00785 0.05802 0.04307 0.05413 9 3PZ -0.15368 0.03957 0.02358 -0.11739 0.00731 10 4S -0.63887 -0.15586 0.24952 1.39938 -0.38118 11 4PX 0.30499 0.07055 -0.08478 -0.69397 0.18360 12 4PY -0.15666 -0.13091 0.17094 0.21193 0.00842 13 4PZ -0.08452 0.00979 0.04560 -0.15582 0.03104 14 5XX 0.07560 -0.06772 0.06496 0.04212 -0.06432 15 5YY -0.13886 -0.11478 -0.06595 -0.22718 -0.08429 16 5ZZ 0.15397 0.08534 0.06803 0.14964 0.12991 17 5XY 0.21131 0.07463 -0.18479 -0.28165 -0.08766 18 5XZ -0.02589 -0.09998 0.02688 0.13923 0.00423 19 5YZ -0.19403 -0.07032 -0.10003 -0.07680 -0.06157 20 2 O 1S -0.00006 -0.00021 0.00127 0.01210 -0.00441 21 2S -0.22230 -0.06867 0.07387 0.32531 -0.04367 22 2PX 0.09841 0.02266 -0.03379 -0.09020 -0.00559 23 2PY 0.00215 -0.01040 -0.00057 -0.05030 -0.01158 24 2PZ -0.08056 -0.01958 -0.01300 -0.02053 -0.01325 25 3S 0.48899 0.17936 -0.21405 -0.92054 0.16831 26 3PX -0.25341 -0.06691 0.09582 0.32330 -0.01403 27 3PY -0.04392 -0.00348 0.03250 0.24191 -0.01703 28 3PZ 0.22241 0.06665 0.01004 0.02965 0.05787 29 4XX 0.04162 0.08758 -0.10624 -0.01373 -0.02770 30 4YY -0.43538 -0.17860 -0.01814 -0.08190 -0.10320 31 4ZZ 0.34731 0.08396 0.14149 0.25137 0.09839 32 4XY 0.45715 0.16153 -0.22492 -0.55971 -0.03970 33 4XZ -0.28767 -0.07084 0.08638 0.21315 0.02286 34 4YZ -0.31005 -0.15176 -0.09650 -0.28515 -0.11934 35 3 O 1S -0.00739 0.00257 -0.00099 0.00959 -0.00806 36 2S -0.07637 -0.02555 -0.18686 0.25348 -0.08162 37 2PX 0.01379 0.00525 0.02314 0.01973 -0.14569 38 2PY 0.02443 -0.08642 0.05681 0.08627 -0.07807 39 2PZ 0.03789 -0.05652 -0.02123 -0.03583 -0.04735 40 3S 0.31809 -0.09203 0.45071 -0.75184 0.39042 41 3PX -0.06434 0.10039 -0.06434 -0.14112 0.29714 42 3PY -0.03531 0.26595 -0.17501 -0.34850 0.26882 43 3PZ -0.06704 0.11595 0.10979 0.00218 0.28150 44 4XX 0.19581 -0.05787 0.16289 0.14074 -0.19209 45 4YY -0.13781 -0.06153 -0.23272 -0.39382 -0.01256 46 4ZZ -0.12424 0.12957 0.02910 0.36076 0.19974 47 4XY 0.01773 -0.18000 0.26643 -0.02709 -0.21640 48 4XZ 0.13087 -0.11605 0.06164 0.17756 0.09178 49 4YZ -0.04329 0.21842 -0.05068 -0.05193 0.13015 50 4 C 1S 0.01004 0.01205 -0.00822 0.00515 0.00572 51 2S 0.09425 -0.18092 -0.04773 0.33670 0.10374 52 2PX -0.00777 0.00606 -0.01940 0.02054 0.01095 53 2PY 0.05849 -0.11002 -0.04483 0.09022 0.07162 54 2PZ -0.01692 0.10266 -0.14392 0.00768 -0.01848 55 3S -0.31940 0.15250 0.03076 -0.77470 0.54433 56 3PX 0.08887 0.05005 0.04479 -0.20112 0.11528 57 3PY -0.19892 0.23234 -0.24782 -0.56219 0.44403 58 3PZ -0.01173 0.09226 0.02467 0.02821 0.23053 59 4XX 0.13854 0.00698 -0.12463 -0.00433 0.06184 60 4YY -0.20353 0.14592 -0.10394 -0.03061 0.08498 61 4ZZ 0.09485 -0.09462 0.14830 -0.01456 -0.12303 62 4XY 0.11323 -0.06738 0.26527 0.04307 -0.20497 63 4XZ -0.20909 -0.03445 -0.01879 0.02783 -0.03375 64 4YZ 0.02491 -0.24708 0.15592 -0.06993 0.19947 65 5 C 1S 0.00827 -0.02296 0.02390 0.01137 -0.02063 66 2S -0.16843 -0.33707 -0.03083 0.08630 0.25584 67 2PX -0.04032 -0.01710 -0.08108 0.04631 0.20143 68 2PY -0.07559 0.00099 -0.12145 -0.06014 0.06224 69 2PZ -0.01972 -0.09612 0.02278 0.00712 0.09825 70 3S -0.12066 1.06836 -0.92390 -0.63980 0.23452 71 3PX 0.02589 -0.07736 -0.20254 0.27103 -0.53974 72 3PY 0.09343 -0.29963 -0.00205 -0.26919 -0.34814 73 3PZ 0.46740 -0.13384 -0.00180 0.08648 -0.64417 74 4XX 0.06030 0.00974 0.05201 0.01284 -0.15186 75 4YY -0.01240 -0.26094 -0.09687 0.03114 0.11693 76 4ZZ -0.00584 0.23432 0.05735 -0.06797 0.01821 77 4XY -0.06689 -0.04032 0.00634 -0.01200 -0.21614 78 4XZ -0.05750 0.08631 -0.16392 0.03043 0.03694 79 4YZ 0.08351 -0.09681 0.06651 -0.03457 0.16469 80 6 C 1S 0.01032 -0.01701 0.00140 -0.01526 0.00682 81 2S -0.24138 0.16446 -0.18972 -0.28632 -0.16552 82 2PX -0.10792 -0.01902 -0.17259 -0.01223 0.05581 83 2PY 0.04729 -0.11982 0.10632 0.04526 0.04086 84 2PZ -0.07819 -0.10309 -0.13274 0.02659 0.01041 85 3S -0.45795 0.62641 0.79149 0.56366 0.82952 86 3PX 0.24781 1.14824 1.76950 0.56527 -0.40284 87 3PY -0.41681 1.16504 -0.23887 -0.83460 0.48405 88 3PZ -0.40440 1.35241 1.14969 0.09987 -0.13080 89 4XX 0.03671 -0.11919 -0.09822 0.07689 -0.15221 90 4YY 0.06741 0.16058 -0.03748 0.08299 0.10712 91 4ZZ -0.05059 -0.03390 0.26556 -0.21322 0.08045 92 4XY -0.01279 0.03223 -0.12047 -0.03898 0.09295 93 4XZ 0.00811 -0.03960 -0.07590 0.08840 0.12321 94 4YZ -0.06818 0.07876 0.13020 -0.00161 0.00114 95 7 C 1S -0.00583 0.00763 0.01975 -0.00153 0.00905 96 2S 0.13534 -0.06700 0.06801 0.04307 -0.31439 97 2PX 0.06383 -0.04639 -0.02924 0.00402 0.03125 98 2PY 0.06399 -0.09288 0.00129 -0.10692 0.03529 99 2PZ 0.02293 -0.09339 -0.10402 0.02928 -0.01103 100 3S -0.16209 -0.87459 -0.85280 0.31610 -0.50336 101 3PX -0.69892 0.85408 0.03539 -0.24777 -0.14725 102 3PY -0.49441 0.82824 2.06206 0.43473 0.21149 103 3PZ -0.48429 1.32418 0.62919 0.15223 -0.13531 104 4XX 0.18270 -0.11401 0.03324 0.08760 0.02362 105 4YY -0.07720 0.11349 0.08503 -0.04010 0.14738 106 4ZZ -0.12036 -0.09059 -0.09149 -0.09363 -0.16818 107 4XY 0.12935 -0.04055 0.12964 -0.06195 0.09948 108 4XZ 0.08485 -0.16757 0.03766 0.05579 -0.00200 109 4YZ 0.03585 0.00459 -0.05084 0.15654 -0.01124 110 8 C 1S -0.00807 0.00015 0.00755 0.01705 -0.04222 111 2S -0.25400 0.43212 0.04575 0.33177 -0.46961 112 2PX -0.00218 -0.06506 -0.02560 -0.01637 0.03563 113 2PY 0.06062 -0.15032 0.04146 -0.02174 0.00495 114 2PZ -0.01937 -0.07178 -0.06007 -0.03031 0.06244 115 3S 1.00088 -0.68726 0.08815 -0.87954 1.67354 116 3PX 0.09810 0.32305 -0.63866 0.10912 -0.75366 117 3PY 0.02492 0.25107 -0.29747 0.13580 -0.46522 118 3PZ -0.23974 0.21353 -0.27006 0.45756 -0.45531 119 4XX -0.07148 0.01940 0.39676 -0.09765 0.17161 120 4YY 0.12760 -0.21051 -0.11249 0.14808 -0.01557 121 4ZZ -0.03607 0.13552 -0.25519 -0.09477 -0.14913 122 4XY -0.18622 -0.02576 0.06567 -0.11215 0.14042 123 4XZ -0.20283 0.21457 -0.09167 0.16486 0.06435 124 4YZ 0.06472 0.00017 -0.21117 0.17365 -0.12987 125 9 C 1S 0.00705 0.00435 -0.01426 -0.00122 0.01285 126 2S 0.07321 0.44277 -0.27736 0.00162 0.07421 127 2PX -0.01968 -0.06474 0.04583 -0.01015 -0.00835 128 2PY -0.01289 0.06752 -0.02026 0.01950 -0.05690 129 2PZ -0.05957 -0.18193 0.06796 0.01142 0.01388 130 3S -0.11115 -0.41087 0.33799 0.63044 -1.18649 131 3PX -0.08291 0.11896 -0.03239 -0.17754 0.30934 132 3PY -0.06316 -0.00084 0.03929 0.12352 -0.34171 133 3PZ 0.20672 0.23583 -0.21354 -0.37515 0.51381 134 4XX -0.01237 0.17521 0.02643 -0.03237 -0.01355 135 4YY 0.23133 -0.14933 -0.06597 0.04717 -0.13449 136 4ZZ -0.21038 0.00295 -0.02523 -0.00525 0.12472 137 4XY -0.16333 -0.07330 0.27558 -0.26669 0.12107 138 4XZ 0.10324 -0.11756 0.06925 0.11096 -0.23849 139 4YZ 0.03496 0.03358 0.15359 -0.06420 0.05023 140 10 H 1S 0.08304 -0.07943 -0.05370 -0.06109 0.09833 141 2S -0.05861 0.09798 -0.11367 -0.15273 0.07648 142 11 H 1S 0.08602 -0.12393 0.13044 0.08849 -0.27787 143 2S 0.16936 -0.24516 0.09029 0.00444 -0.27804 144 12 H 1S 0.04864 -0.15602 0.27197 -0.09462 0.03018 145 2S -0.03726 -0.09292 0.20580 -0.08740 0.20315 146 13 H 1S 0.05969 0.04602 0.07653 -0.04812 -0.00296 147 2S -0.09977 -0.05217 0.00127 0.13110 -0.16693 148 14 C 1S 0.00335 -0.01797 -0.01425 -0.00738 0.03370 149 2S 0.01294 -0.07148 -0.06358 -0.02566 0.29401 150 2PX 0.00473 0.03288 0.02557 -0.01211 0.06542 151 2PY -0.01330 -0.01271 -0.00539 -0.00606 -0.00222 152 2PZ 0.00157 0.02065 0.03139 -0.01934 0.06143 153 3S 0.10193 1.17243 1.54063 0.39488 -1.28591 154 3PX 0.01292 0.25836 0.32658 0.27407 -0.37652 155 3PY 0.12239 -0.80260 -0.15316 0.17375 0.08032 156 3PZ 0.18726 -0.28396 0.14980 0.18114 -0.08322 157 4XX -0.07920 -0.21755 -0.26849 0.19629 -0.03824 158 4YY -0.06587 0.21843 0.29180 -0.18806 -0.14863 159 4ZZ 0.13921 0.03174 -0.00859 -0.06071 0.21964 160 4XY 0.00320 -0.03736 -0.09970 0.07879 -0.09698 161 4XZ 0.01749 0.12076 0.08413 0.04678 -0.19104 162 4YZ -0.10565 0.37555 0.19146 0.03674 -0.54537 163 15 H 1S 0.04778 -0.06035 -0.21607 0.06137 0.15745 164 2S -0.07757 0.26015 0.02646 -0.05465 0.00423 165 16 H 1S 0.05889 -0.45860 -0.20768 0.00262 0.44147 166 2S 0.06061 -0.21993 -0.03729 0.13327 -0.03478 167 17 C 1S 0.00189 0.01148 0.01506 0.00146 0.00699 168 2S 0.04569 0.07205 0.01205 0.02448 0.06452 169 2PX 0.01049 0.00181 -0.04063 0.01697 -0.02847 170 2PY -0.06258 0.00331 0.05246 0.01934 -0.01771 171 2PZ -0.01760 0.01082 0.00562 -0.00164 -0.00443 172 3S 0.28606 -0.68341 -1.44082 -0.46848 -0.23985 173 3PX 0.35669 -0.57257 -0.42428 -0.01526 0.05124 174 3PY -0.12368 0.05043 0.43602 0.10686 -0.10295 175 3PZ 0.17956 -0.57544 -0.03712 -0.07808 0.06492 176 4XX -0.02003 -0.11574 -0.03239 -0.04579 -0.14569 177 4YY -0.08707 0.14065 0.12093 -0.04800 0.22254 178 4ZZ 0.13377 -0.07187 -0.06208 0.06706 -0.10380 179 4XY 0.01301 -0.11745 0.10020 -0.12799 0.00395 180 4XZ -0.08276 -0.41919 -0.08604 -0.16933 -0.22298 181 4YZ -0.04545 -0.00693 -0.35958 0.15419 -0.19994 182 18 H 1S -0.02890 0.40455 0.26276 0.08421 0.21236 183 2S -0.08850 0.22289 0.05449 0.02958 -0.04041 184 19 H 1S 0.07989 0.06393 -0.02432 0.07959 0.08760 185 2S 0.15000 -0.25581 -0.09043 -0.02184 0.08157 151 152 153 154 155 V V V V V Eigenvalues -- 2.17347 2.19934 2.22017 2.25082 2.30335 1 1 S 1S -0.00470 -0.00950 0.00037 -0.00274 -0.00328 2 2S 0.01669 0.01945 -0.01066 -0.00629 0.02940 3 2PX -0.00896 -0.01820 0.00686 -0.00848 -0.00292 4 2PY -0.00633 -0.00487 0.00681 -0.02894 -0.01326 5 2PZ -0.00367 0.03836 0.01044 -0.02986 -0.03022 6 3S -0.12650 -0.28835 -0.02378 -0.08316 -0.04668 7 3PX 0.05644 0.13032 -0.03243 0.06916 -0.01226 8 3PY 0.01436 0.02200 -0.03758 0.15362 0.05131 9 3PZ -0.02299 -0.18779 -0.08382 0.12497 0.17380 10 4S -0.26247 -0.21357 0.28460 0.11607 -0.13265 11 4PX 0.10304 0.10213 -0.08809 -0.08192 -0.00401 12 4PY -0.02786 0.09357 0.04828 0.08524 -0.06497 13 4PZ 0.07539 -0.13363 0.01761 0.09038 0.03116 14 5XX 0.03206 0.04395 0.05830 0.01852 0.03950 15 5YY 0.19637 0.02997 -0.01799 -0.04780 -0.00188 16 5ZZ -0.15009 0.05871 -0.02586 -0.02593 0.05727 17 5XY -0.00949 -0.03812 0.11562 -0.08885 -0.09659 18 5XZ 0.03424 0.17621 0.04135 -0.14836 -0.09973 19 5YZ 0.15964 0.02299 -0.03543 -0.06144 -0.05264 20 2 O 1S -0.00321 -0.00241 0.00180 0.00375 -0.00420 21 2S -0.03442 0.01850 0.05227 -0.00666 -0.00706 22 2PX -0.01641 0.00230 0.01044 0.02754 -0.03987 23 2PY 0.02127 -0.00312 -0.00035 0.00153 0.01811 24 2PZ 0.03949 -0.01581 0.00737 0.00177 0.00377 25 3S 0.14144 -0.02865 -0.15951 -0.06132 0.09952 26 3PX 0.01819 -0.01323 -0.01592 -0.04442 0.08555 27 3PY -0.08939 0.00934 0.04089 0.01525 -0.06082 28 3PZ -0.10852 0.05235 -0.02760 -0.03418 -0.00003 29 4XX -0.03815 -0.02131 -0.00461 0.06499 -0.06165 30 4YY 0.24365 -0.04853 -0.02380 -0.00764 0.02984 31 4ZZ -0.23302 0.05453 0.04167 -0.03579 0.00162 32 4XY 0.01102 -0.05986 0.08028 0.02443 -0.03304 33 4XZ 0.06518 0.00166 -0.03197 -0.00797 0.05514 34 4YZ 0.22416 -0.07645 -0.00245 0.03366 -0.02979 35 3 O 1S -0.00513 -0.00898 0.00684 -0.01475 -0.00470 36 2S 0.05523 -0.06882 0.09158 0.09925 -0.07117 37 2PX -0.03786 -0.07480 0.05410 -0.17085 -0.00526 38 2PY -0.02164 0.00481 0.07378 -0.00075 -0.06765 39 2PZ 0.07656 0.00436 0.05515 -0.00893 -0.00756 40 3S 0.18045 0.75315 -0.30511 -0.16737 -0.14134 41 3PX -0.01428 -0.15297 -0.14037 0.55393 0.17677 42 3PY 0.04221 -0.02549 -0.23753 -0.03036 0.25053 43 3PZ -0.11688 0.27193 -0.23653 0.10965 -0.09134 44 4XX 0.00833 0.02032 0.29072 -0.26808 0.10037 45 4YY 0.20118 -0.08094 -0.02135 0.12962 -0.05069 46 4ZZ -0.21719 0.04504 -0.23358 0.07263 -0.10226 47 4XY 0.02420 -0.20976 0.09435 0.30635 0.02051 48 4XZ -0.02586 0.15854 0.09341 0.14439 0.14052 49 4YZ 0.01762 -0.10559 -0.19424 -0.05524 0.20934 50 4 C 1S -0.01829 -0.00062 0.01712 0.02285 0.02078 51 2S -0.40681 0.19174 0.12970 0.33881 0.02481 52 2PX -0.05488 -0.03185 -0.02492 0.06071 -0.04823 53 2PY -0.09157 0.13308 0.00036 0.09406 -0.10200 54 2PZ 0.00083 -0.14672 -0.03068 -0.01887 -0.04200 55 3S 1.59858 1.49176 -0.48174 -1.13043 -1.92021 56 3PX 0.52190 0.28384 -0.19239 0.00376 -0.12176 57 3PY 0.96466 0.74497 -0.39683 -0.79195 -0.89197 58 3PZ -0.08738 0.01751 0.03677 0.18039 0.26245 59 4XX 0.00453 0.02038 -0.03845 0.22655 0.32075 60 4YY -0.11167 0.19148 0.23842 -0.22940 -0.06610 61 4ZZ 0.10699 -0.18159 -0.14149 0.01317 -0.26026 62 4XY 0.17739 -0.12182 -0.13375 0.05508 0.09442 63 4XZ 0.07355 -0.14709 -0.14293 -0.16244 0.05249 64 4YZ 0.06322 0.11504 -0.09499 0.16198 -0.05061 65 5 C 1S 0.00691 0.03109 0.01478 -0.07519 -0.03610 66 2S 0.19063 1.00507 -0.21907 -0.29507 -0.50862 67 2PX 0.02808 0.13924 -0.05705 0.11122 -0.02361 68 2PY 0.07521 0.05889 -0.14342 0.01111 -0.09241 69 2PZ -0.03116 0.17645 0.02198 0.06129 0.01962 70 3S -0.79774 -2.76107 0.09065 2.27506 2.13970 71 3PX -0.46478 -1.03255 0.19235 -0.62590 0.65849 72 3PY -0.15641 -1.38872 0.13028 0.66229 0.52233 73 3PZ -0.47490 -1.68722 0.23901 -0.13121 1.24607 74 4XX 0.00542 0.14674 0.20062 -0.24677 -0.07589 75 4YY -0.01544 -0.07284 0.02809 0.22455 0.01990 76 4ZZ -0.02002 -0.21611 -0.16227 0.01536 0.15306 77 4XY -0.01338 0.00565 0.11642 -0.02245 -0.02737 78 4XZ 0.10715 0.33442 0.13948 0.00016 -0.03560 79 4YZ -0.07044 0.10070 -0.04597 0.18743 0.16108 80 6 C 1S -0.01638 -0.03022 -0.02129 0.04005 0.02225 81 2S -0.17300 0.00195 -0.31488 -0.02591 0.24953 82 2PX 0.07403 -0.09758 -0.05532 -0.31952 -0.14790 83 2PY -0.05347 0.04167 -0.08765 0.16902 0.07591 84 2PZ 0.01482 -0.04587 0.00357 -0.06234 -0.08651 85 3S 1.37091 2.30576 1.33299 -0.44145 -1.26478 86 3PX 0.91967 2.85607 0.45854 0.85194 -2.40097 87 3PY 0.73993 0.17897 0.23079 0.73045 -0.39862 88 3PZ 0.94148 1.96868 0.78547 1.36293 -1.72902 89 4XX 0.00146 -0.06640 0.18637 0.18174 -0.05565 90 4YY -0.02449 0.04056 -0.10481 -0.09436 -0.09100 91 4ZZ 0.01137 0.07480 -0.06869 0.14835 0.22265 92 4XY 0.05816 0.11166 -0.08639 0.29550 -0.17469 93 4XZ 0.19387 0.00672 -0.06412 -0.24329 -0.13297 94 4YZ 0.01850 -0.00681 0.34902 -0.12254 0.10977 95 7 C 1S 0.00111 0.01120 0.01166 0.01916 -0.04122 96 2S -0.24710 0.24265 -0.09080 0.34178 -0.39888 97 2PX 0.00799 0.07835 -0.01976 -0.00863 0.13999 98 2PY -0.17522 -0.08181 -0.03677 -0.08992 -0.32869 99 2PZ -0.00926 0.02483 0.00253 -0.00194 -0.00978 100 3S -0.17358 -2.76487 -0.55762 -1.06304 2.42238 101 3PX 0.31321 0.42645 -0.03039 -0.14600 0.07571 102 3PY 2.06162 1.96871 1.45641 1.60149 -2.04498 103 3PZ 1.16682 1.49112 0.68487 0.60177 -1.21104 104 4XX 0.04405 -0.07285 -0.20284 -0.00421 -0.42578 105 4YY 0.06545 0.07216 -0.03982 -0.14750 0.10563 106 4ZZ -0.16772 -0.12427 0.22835 0.13455 0.20359 107 4XY -0.11519 -0.11898 -0.20428 -0.05453 -0.04205 108 4XZ 0.07845 -0.04212 0.15320 -0.07768 0.11648 109 4YZ 0.00101 -0.16507 0.08340 0.06224 -0.00617 110 8 C 1S 0.00660 -0.01273 0.01639 -0.01183 0.03521 111 2S -0.33471 -0.60474 -0.18711 -0.05733 0.56427 112 2PX 0.01084 0.00124 0.03558 -0.01885 -0.01535 113 2PY -0.05074 0.20236 0.07502 0.04710 0.00844 114 2PZ 0.12658 0.13144 0.01148 -0.04636 -0.12504 115 3S 0.76117 1.52617 0.08091 0.52566 -2.19859 116 3PX -0.19215 -0.48756 -0.46511 -0.30055 1.05956 117 3PY -0.84232 -1.45195 -0.21002 -0.08669 0.71870 118 3PZ -0.84371 -1.28058 -0.49181 0.02225 0.86370 119 4XX 0.02507 -0.10226 0.12857 -0.07664 -0.33852 120 4YY 0.13435 0.10322 -0.14029 0.11467 0.16491 121 4ZZ -0.04069 0.07032 0.07005 -0.03210 0.09356 122 4XY -0.20219 0.05861 0.06140 0.14371 -0.12322 123 4XZ -0.03767 -0.24168 -0.01767 0.30757 -0.08113 124 4YZ 0.07136 -0.11698 -0.39687 0.00942 0.08669 125 9 C 1S -0.00218 -0.00066 0.00099 0.00834 -0.01888 126 2S -0.00114 -0.05086 -0.01238 -0.15596 -0.11109 127 2PX 0.02190 -0.05105 -0.07802 0.00186 -0.06606 128 2PY 0.04582 -0.16694 -0.17018 -0.06020 -0.01568 129 2PZ 0.06623 0.01776 -0.08444 0.03793 -0.04731 130 3S -1.29939 -1.39935 0.28208 0.42220 1.76411 131 3PX -0.01942 0.24245 0.14312 -0.26864 -0.41673 132 3PY -0.10962 -0.09287 0.17137 0.07324 0.43995 133 3PZ 0.89066 0.86105 -0.06056 -0.46093 -0.88097 134 4XX -0.09245 -0.31437 -0.05243 0.14701 0.11453 135 4YY 0.15843 0.24772 0.11629 0.02407 0.11928 136 4ZZ -0.14709 0.03017 0.00612 -0.12470 -0.23579 137 4XY -0.18246 -0.01751 0.14336 -0.10999 0.07540 138 4XZ 0.32825 -0.08623 -0.18825 0.02210 0.28645 139 4YZ 0.15050 -0.01624 -0.05824 -0.01193 -0.02231 140 10 H 1S 0.08431 -0.01222 -0.14298 0.09211 -0.01825 141 2S 0.25312 0.16686 -0.05182 -0.23108 -0.15428 142 11 H 1S -0.02126 -0.30512 0.05472 -0.33420 -0.03435 143 2S -0.10439 -0.57216 0.11836 -0.09286 0.38188 144 12 H 1S 0.18067 0.32516 0.26259 -0.18786 -0.03319 145 2S 0.30174 0.48054 0.18590 0.06123 -0.38184 146 13 H 1S -0.04037 -0.08320 0.02249 0.11006 0.09008 147 2S -0.21787 -0.21265 0.01712 0.13029 0.19259 148 14 C 1S -0.00681 -0.02097 0.00892 0.00560 0.04023 149 2S -0.03457 -0.06212 0.07640 0.13020 0.13964 150 2PX -0.03692 0.03023 0.01630 0.08416 -0.04302 151 2PY 0.02110 -0.01174 0.02431 -0.00049 -0.00424 152 2PZ -0.00263 0.01791 -0.00934 0.02604 -0.01985 153 3S 0.47254 2.10220 -0.07669 0.80911 -2.18012 154 3PX 0.24936 0.49026 0.19457 0.07524 -0.88969 155 3PY -0.33507 -0.31029 -0.27130 0.00190 0.45502 156 3PZ 0.03442 0.19035 -0.26116 -0.12650 -0.37542 157 4XX -0.01247 -0.24061 0.34600 0.05004 -0.18135 158 4YY -0.02726 0.28554 -0.14096 0.27450 0.09528 159 4ZZ -0.01209 -0.06081 -0.21458 -0.29406 0.19794 160 4XY -0.18655 -0.15978 0.24568 -0.13496 0.33613 161 4XZ 0.07157 0.04774 -0.17833 -0.39973 -0.25459 162 4YZ -0.09784 0.32085 -0.03070 0.18557 -0.07902 163 15 H 1S -0.05511 -0.27788 0.19130 -0.32379 0.20613 164 2S 0.19489 0.09559 0.16353 0.03889 -0.23148 165 16 H 1S 0.05983 -0.25748 0.03220 0.07313 0.05673 166 2S -0.08865 -0.05459 -0.07477 -0.14237 0.05114 167 17 C 1S 0.02852 -0.01845 0.01921 0.01909 -0.03348 168 2S 0.18078 -0.21870 0.05259 0.12134 -0.14055 169 2PX 0.01590 0.00780 -0.00671 0.01459 0.00067 170 2PY 0.00377 0.07558 0.03782 -0.02145 -0.00517 171 2PZ 0.01128 0.04164 -0.01581 -0.01715 0.01354 172 3S -2.04425 -0.31294 -1.25808 -1.22136 1.38650 173 3PX -0.18040 -0.10510 -0.17337 -0.18004 0.29948 174 3PY 0.47633 0.05652 0.32043 0.52182 -0.83165 175 3PZ 0.01468 -0.14098 -0.11341 -0.05802 0.11574 176 4XX -0.25969 -0.12988 0.07008 0.11192 -0.21076 177 4YY 0.19062 0.13898 -0.02807 -0.15476 0.47381 178 4ZZ 0.05906 -0.03453 -0.02091 0.09320 -0.36388 179 4XY 0.20159 0.19094 -0.12129 -0.11474 -0.02149 180 4XZ -0.60361 0.13140 -0.39017 -0.21315 0.12633 181 4YZ 0.08822 0.30099 0.01986 0.03270 0.11651 182 18 H 1S 0.23969 -0.25389 0.27537 0.16058 -0.10782 183 2S 0.08920 0.11196 0.04308 -0.00598 0.01901 184 19 H 1S 0.51704 0.12985 0.11514 0.03604 -0.00589 185 2S -0.10295 -0.14497 -0.03708 -0.09900 0.22510 156 157 158 159 160 V V V V V Eigenvalues -- 2.34407 2.36402 2.40108 2.41178 2.46920 1 1 S 1S 0.00456 0.00423 0.01281 -0.01157 0.01047 2 2S -0.07812 -0.05320 -0.03993 0.06762 -0.05782 3 2PX 0.03363 0.03241 0.03527 -0.04394 0.02902 4 2PY 0.02500 0.03722 -0.00884 -0.02645 0.00836 5 2PZ 0.02650 0.03575 -0.03416 -0.02430 0.04247 6 3S -0.02275 -0.00873 0.37232 -0.21658 0.20851 7 3PX -0.11914 -0.15955 -0.20925 0.24021 -0.13603 8 3PY -0.11375 -0.17980 0.04148 0.10993 -0.00142 9 3PZ -0.19719 -0.19436 0.17961 0.13462 -0.21631 10 4S 1.09034 0.90895 0.48956 -0.94122 0.51224 11 4PX -0.52132 -0.39424 -0.24676 0.45374 -0.19454 12 4PY 0.00602 0.05704 0.06720 -0.06585 0.08955 13 4PZ -0.00563 0.03106 -0.02124 0.14807 -0.05749 14 5XX -0.01302 0.01815 -0.01016 0.01688 -0.04224 15 5YY -0.10005 0.04063 -0.12356 0.05760 -0.01434 16 5ZZ -0.08495 -0.11228 -0.09500 0.07826 -0.09116 17 5XY 0.13335 0.17374 -0.02024 -0.14848 0.09987 18 5XZ 0.09280 0.14834 -0.14632 -0.10456 0.12623 19 5YZ 0.07734 0.10322 -0.04139 -0.07000 0.05114 20 2 O 1S 0.00203 -0.00154 0.00488 -0.00198 0.00668 21 2S 0.19799 0.17028 0.08964 -0.21131 0.12320 22 2PX -0.02740 -0.03256 -0.01184 0.02422 0.00814 23 2PY -0.04910 -0.01291 -0.00923 0.02403 -0.02044 24 2PZ 0.01680 0.01344 -0.01145 -0.01267 -0.00934 25 3S -0.49765 -0.40323 -0.28718 0.54603 -0.39085 26 3PX 0.12823 0.11692 0.06406 -0.12116 0.01489 27 3PY 0.16050 0.08745 0.07622 -0.15195 0.15852 28 3PZ -0.04896 -0.05643 -0.00305 0.04769 -0.01697 29 4XX 0.01641 -0.04552 0.01259 -0.00615 0.08313 30 4YY 0.03527 0.05874 -0.01530 -0.00135 -0.09856 31 4ZZ -0.00517 -0.01287 0.04776 -0.02042 0.06487 32 4XY -0.07261 -0.03428 -0.02657 0.03216 -0.02585 33 4XZ 0.01198 -0.01121 0.00452 -0.01649 -0.03864 34 4YZ -0.03105 0.01817 0.01080 0.00482 0.03234 35 3 O 1S 0.01566 0.01931 0.01371 -0.01759 0.00682 36 2S 0.57614 0.60234 0.10762 -0.36260 0.35558 37 2PX 0.02914 0.00751 0.05963 -0.10100 0.00536 38 2PY 0.04725 0.06263 0.00873 -0.13924 0.02970 39 2PZ 0.09786 0.08209 -0.00060 0.02098 0.03205 40 3S -1.40573 -1.48915 -0.93321 1.23159 -0.69429 41 3PX -0.12098 -0.00245 0.13976 0.14774 -0.04108 42 3PY -0.22873 -0.31997 -0.02635 0.62499 -0.16773 43 3PZ -0.47630 -0.45016 -0.30828 0.17754 -0.14696 44 4XX 0.16860 -0.02032 0.24300 -0.00226 -0.01457 45 4YY 0.11219 0.20512 0.01883 0.02319 -0.01728 46 4ZZ -0.13294 -0.02172 -0.18824 -0.12618 0.08778 47 4XY -0.21836 -0.08552 0.01661 -0.07448 -0.29436 48 4XZ 0.11819 -0.06285 0.09373 0.26647 -0.11824 49 4YZ -0.23888 -0.29555 0.08486 0.32099 -0.10396 50 4 C 1S 0.01409 -0.02821 0.00688 0.02477 -0.01084 51 2S 0.09856 -0.22878 -0.27545 -0.30091 -0.00193 52 2PX -0.02420 0.04789 -0.10679 -0.07408 0.04036 53 2PY 0.00498 0.01004 -0.13456 -0.16309 -0.01589 54 2PZ -0.07259 0.07001 0.09708 -0.05133 -0.05927 55 3S -0.43412 1.51483 -1.65693 0.43628 0.38594 56 3PX -0.01627 0.24585 -0.30159 0.22559 0.41580 57 3PY 0.03514 0.93093 -0.53232 0.82159 0.16023 58 3PZ 0.32208 0.03542 0.51037 0.11325 0.15121 59 4XX 0.20487 -0.05708 -0.38470 0.34747 0.22907 60 4YY -0.13910 -0.00614 0.12035 -0.08329 -0.14844 61 4ZZ -0.09662 0.10399 0.28024 -0.19133 -0.11976 62 4XY -0.15579 0.04206 -0.23875 -0.06690 0.27789 63 4XZ 0.07097 0.17064 -0.06469 0.11335 0.27068 64 4YZ 0.11145 -0.03786 0.42182 0.17699 -0.10048 65 5 C 1S -0.01321 0.00348 -0.06773 0.02352 -0.01158 66 2S 0.07936 -0.14853 -1.15738 0.92522 -0.18544 67 2PX 0.09749 0.07021 -0.16390 0.11988 0.12666 68 2PY -0.00737 0.04694 -0.02313 0.08465 -0.06592 69 2PZ -0.00976 -0.16326 -0.11334 0.13470 -0.04238 70 3S 0.02744 -0.01391 4.45061 -2.50730 0.51305 71 3PX 0.46203 0.39388 0.57455 0.20623 -0.50671 72 3PY -0.56708 0.29074 1.37047 -1.54548 -0.15515 73 3PZ 0.13479 -0.07005 1.72248 -0.37491 -0.43229 74 4XX 0.12162 -0.03784 0.08442 -0.00019 0.09732 75 4YY -0.20095 0.17640 -0.07530 -0.36173 -0.10992 76 4ZZ 0.07507 -0.05057 0.20978 0.18240 0.03904 77 4XY 0.30522 0.39072 -0.03168 -0.10920 -0.09034 78 4XZ 0.36454 0.09532 0.11837 0.12151 0.02551 79 4YZ 0.12101 0.09326 0.09808 -0.15130 0.12895 80 6 C 1S -0.01069 0.02765 -0.00018 -0.01023 -0.05333 81 2S 0.12141 0.48989 0.29794 0.11285 -0.44393 82 2PX 0.13598 -0.21987 -0.06295 0.15432 -0.09937 83 2PY -0.14335 -0.01953 -0.01798 -0.11583 0.05743 84 2PZ -0.03925 -0.14954 -0.05692 0.09038 -0.07150 85 3S 0.17676 -1.29888 -0.98209 0.42878 3.07894 86 3PX 0.27311 -1.31951 -2.68293 0.49740 1.31613 87 3PY -0.64905 -0.68613 1.96674 -1.50238 1.50219 88 3PZ -0.13151 -1.37600 -0.83768 -0.66412 1.88335 89 4XX -0.19387 0.07074 0.09045 0.22863 -0.01349 90 4YY -0.04608 0.24135 -0.09195 -0.11728 0.04911 91 4ZZ 0.18015 -0.21943 -0.01842 -0.17798 0.01903 92 4XY -0.11294 0.09328 0.02086 0.11525 -0.09398 93 4XZ 0.03953 -0.03838 0.08577 -0.18155 0.22787 94 4YZ -0.08089 -0.22878 0.16702 0.10808 0.32597 95 7 C 1S 0.01519 -0.01831 -0.00688 0.01532 0.02431 96 2S 0.23435 -0.29947 -0.09924 -0.09543 0.52229 97 2PX -0.05026 -0.04090 0.05782 -0.09831 0.13626 98 2PY 0.19909 -0.15812 -0.01891 0.12283 0.09502 99 2PZ -0.02020 -0.08183 0.02703 0.01153 0.15758 100 3S -0.08377 0.89551 1.63129 -0.66406 -2.05318 101 3PX -1.07719 -0.74477 1.75079 -1.46330 1.25364 102 3PY 1.16252 -1.44392 -2.26410 0.28267 1.99836 103 3PZ -0.33865 -1.10827 0.34600 -1.06462 1.95560 104 4XX -0.17227 0.28461 0.13676 0.17180 0.07705 105 4YY 0.11632 -0.01979 -0.09648 -0.04269 -0.07009 106 4ZZ 0.16253 -0.30418 0.00313 -0.08116 -0.03555 107 4XY 0.11959 0.04075 -0.06748 0.00076 -0.18760 108 4XZ 0.12162 0.04802 -0.16300 -0.25904 -0.24478 109 4YZ -0.12153 0.22249 0.09962 0.24692 0.17790 110 8 C 1S -0.02787 0.01073 0.04799 -0.05658 0.00586 111 2S -0.37320 -0.04023 1.08046 -0.72395 0.20174 112 2PX -0.01072 0.01894 0.01109 -0.03060 -0.06304 113 2PY 0.03724 -0.01478 -0.18645 0.10841 0.00698 114 2PZ 0.04156 0.06391 -0.15673 0.05459 -0.00781 115 3S 1.60722 0.17993 -3.76955 3.03093 -0.43223 116 3PX -0.80368 -0.36196 1.35688 -1.14682 0.01319 117 3PY 0.08511 0.09716 0.46535 -0.16676 -0.90849 118 3PZ -0.24940 0.08192 1.67131 -0.81497 -0.06397 119 4XX -0.01517 0.29727 -0.05531 0.28287 0.08108 120 4YY 0.08560 -0.05365 0.07502 0.11601 -0.09488 121 4ZZ -0.01532 -0.22272 -0.21694 -0.29290 -0.01791 122 4XY 0.08071 -0.17514 0.14651 -0.14748 0.42111 123 4XZ 0.43895 -0.25643 -0.00140 0.03588 -0.20169 124 4YZ 0.13561 0.03539 0.21600 -0.05897 0.04287 125 9 C 1S 0.00530 0.02029 0.00352 -0.01105 0.01361 126 2S 0.13752 0.24163 0.00374 -0.14017 -0.06457 127 2PX -0.02772 0.05109 0.11777 -0.03048 -0.00352 128 2PY 0.01542 0.12741 0.11034 -0.06919 -0.00179 129 2PZ -0.04561 0.01906 -0.00532 0.06661 0.08923 130 3S -0.56245 -1.41709 1.05459 -0.88361 -0.81625 131 3PX 0.00781 0.40197 -0.09451 0.13936 -0.18768 132 3PY -0.23543 -0.07900 0.10448 -0.44202 0.02603 133 3PZ 0.20884 0.90997 -0.87216 0.43594 0.19552 134 4XX 0.10827 0.09554 -0.26437 -0.02623 0.46619 135 4YY 0.06384 -0.02799 0.09766 -0.06201 -0.22484 136 4ZZ -0.20912 -0.10008 0.12859 0.04576 -0.24089 137 4XY 0.02463 0.06022 -0.14717 0.28550 0.24700 138 4XZ 0.06149 -0.09168 -0.26873 0.23496 0.12786 139 4YZ 0.17985 -0.11751 0.48794 0.13145 -0.06428 140 10 H 1S 0.18129 0.05091 0.08941 0.19420 -0.00550 141 2S -0.03860 0.25624 -0.12593 0.22741 0.06552 142 11 H 1S -0.26789 -0.18275 -0.07439 0.07808 -0.17843 143 2S 0.03524 0.18696 0.53438 -0.20271 -0.20962 144 12 H 1S -0.29359 0.19387 -0.13376 0.05796 0.05421 145 2S 0.16425 -0.08504 -0.45073 0.22352 0.20370 146 13 H 1S 0.15460 -0.02507 0.20697 -0.06056 0.12618 147 2S -0.12485 -0.24430 0.13424 -0.14073 -0.02000 148 14 C 1S -0.00164 0.03072 0.02369 -0.00651 0.01114 149 2S 0.03667 0.10641 -0.04494 0.00448 0.02191 150 2PX 0.01270 -0.03452 -0.14498 0.05242 -0.07424 151 2PY -0.03452 0.01517 0.03053 0.02790 0.00877 152 2PZ 0.02947 -0.04192 -0.08571 -0.00631 -0.03853 153 3S 0.13980 -1.19978 -2.12503 0.25218 0.17808 154 3PX 0.07130 -0.72871 -0.72130 0.13253 0.16224 155 3PY -0.01889 0.41145 -0.24794 0.19647 -0.55818 156 3PZ 0.06633 -0.18483 -0.62993 0.15844 -0.25834 157 4XX -0.14664 -0.25894 -0.10310 0.23179 -0.06958 158 4YY -0.06993 0.11326 0.10410 -0.18533 0.08466 159 4ZZ 0.21079 0.21647 0.05714 -0.05561 -0.02176 160 4XY 0.16062 0.25301 0.12439 0.26975 -0.03905 161 4XZ 0.24509 -0.30622 -0.24205 0.11598 -0.16240 162 4YZ 0.00412 0.11444 -0.00714 0.20026 -0.08895 163 15 H 1S 0.15280 0.07943 0.11494 0.12718 0.02510 164 2S -0.03211 -0.27172 0.14293 -0.11693 0.32444 165 16 H 1S -0.15782 -0.03403 0.01695 -0.15524 0.03465 166 2S 0.08168 0.02424 -0.17812 0.15530 -0.15226 167 17 C 1S 0.02959 -0.02535 -0.00722 -0.00844 0.01796 168 2S 0.13913 -0.09252 0.07947 -0.12017 -0.01564 169 2PX -0.01981 0.00264 0.03799 0.01083 0.00641 170 2PY 0.05660 -0.01257 -0.06472 0.05990 0.11298 171 2PZ 0.03584 -0.02371 -0.02067 -0.01064 -0.00965 172 3S -1.33396 1.09529 1.27058 0.15943 -1.09944 173 3PX -0.05953 0.40674 -0.21907 0.41526 -0.48334 174 3PY 0.66661 -0.64456 -0.46042 0.00329 0.53714 175 3PZ 0.24078 0.03930 -0.34830 0.26193 -0.29944 176 4XX 0.22524 -0.13056 -0.07508 0.09148 0.07009 177 4YY -0.24910 0.17788 -0.02716 -0.15642 -0.31564 178 4ZZ 0.07212 -0.11861 0.06144 0.05534 0.28315 179 4XY 0.11181 -0.40226 0.10764 -0.26390 0.25889 180 4XZ -0.01779 0.01975 0.04329 0.04859 -0.05192 181 4YZ -0.37611 0.00571 0.28321 0.04146 0.34458 182 18 H 1S 0.14598 0.07622 -0.14578 -0.02461 -0.14090 183 2S -0.11948 -0.05933 0.21065 -0.20105 0.19921 184 19 H 1S -0.04655 -0.15972 0.03492 -0.09527 0.15223 185 2S 0.04516 0.29382 -0.15057 0.17895 -0.30698 161 162 163 164 165 V V V V V Eigenvalues -- 2.48984 2.50068 2.55791 2.57525 2.65264 1 1 S 1S -0.01378 -0.00787 0.01284 0.00766 0.00320 2 2S 0.07007 0.05069 -0.09257 0.03292 -0.01160 3 2PX -0.02557 -0.02441 0.03798 -0.00257 0.02706 4 2PY -0.02317 -0.01307 0.02165 0.00762 0.00764 5 2PZ -0.04790 -0.02596 0.05557 -0.00229 -0.02112 6 3S -0.30775 -0.16118 0.20197 0.35634 0.08293 7 3PX 0.12268 0.10262 -0.17945 -0.02045 -0.17516 8 3PY 0.07443 0.06213 -0.06073 -0.02680 -0.07119 9 3PZ 0.25741 0.14539 -0.31293 0.07634 0.14756 10 4S -0.57213 -0.46486 1.16941 -1.06742 0.42568 11 4PX 0.21314 0.19175 -0.50613 0.48599 -0.23909 12 4PY -0.03031 -0.01168 0.10421 -0.08585 0.06594 13 4PZ 0.05991 0.02493 -0.03367 -0.14973 -0.00629 14 5XX 0.15095 0.04394 -0.11529 -0.02808 0.08416 15 5YY 0.01189 0.04848 0.00181 -0.01185 -0.09770 16 5ZZ 0.06768 0.08725 -0.09175 -0.01020 -0.02403 17 5XY -0.13786 -0.07782 0.17429 -0.02492 -0.02198 18 5XZ -0.16057 -0.10094 0.17404 0.04131 -0.03546 19 5YZ -0.13048 -0.06925 0.12429 0.01758 0.03511 20 2 O 1S -0.00073 -0.00583 0.00423 -0.00495 -0.00506 21 2S -0.18377 -0.08879 0.25542 -0.08429 0.05238 22 2PX 0.01167 -0.00457 -0.01502 -0.00339 -0.00734 23 2PY 0.03457 0.01546 -0.03752 0.00199 0.00084 24 2PZ -0.01689 -0.01738 0.00742 0.01109 0.00865 25 3S 0.42710 0.27811 -0.68507 0.34431 -0.10725 26 3PX -0.06152 -0.02778 0.10746 -0.04416 0.06340 27 3PY -0.17682 -0.08330 0.25536 -0.09514 -0.04703 28 3PZ 0.06834 0.05545 -0.07791 0.02233 -0.00972 29 4XX -0.05927 -0.06686 0.06723 -0.02660 -0.05789 30 4YY 0.06219 -0.00345 -0.08042 0.01466 0.08354 31 4ZZ -0.01596 0.01271 0.04072 -0.01184 -0.05477 32 4XY 0.03703 0.03952 -0.05753 0.01443 -0.02597 33 4XZ 0.00124 -0.00363 -0.02127 0.04062 0.01945 34 4YZ -0.05690 -0.01831 0.05505 0.00728 -0.06477 35 3 O 1S -0.02047 0.00690 -0.00007 -0.01372 0.01205 36 2S -0.25228 -0.15185 0.57457 -0.31309 0.16702 37 2PX -0.09785 -0.06669 0.05771 -0.01186 0.01884 38 2PY -0.05203 -0.02428 0.08927 -0.04130 0.03245 39 2PZ -0.02469 -0.03978 0.06974 -0.05854 -0.02777 40 3S 0.76944 0.21469 -1.39875 1.13659 -1.09171 41 3PX 0.25010 0.32595 -0.17068 -0.06414 0.26673 42 3PY 0.23589 0.16113 -0.42997 0.24754 -0.16578 43 3PZ 0.21871 0.13070 -0.44242 0.44457 -0.22345 44 4XX 0.11956 -0.23517 -0.03855 -0.25008 0.06307 45 4YY -0.04501 0.15108 -0.05341 -0.03249 -0.00730 46 4ZZ -0.21125 0.13667 0.06336 0.17544 0.00214 47 4XY 0.36809 0.26807 -0.28769 -0.15752 0.09718 48 4XZ 0.29664 0.14202 -0.26880 -0.13978 0.02055 49 4YZ 0.19410 0.04800 -0.25310 0.01334 -0.01722 50 4 C 1S -0.02697 0.01121 0.04757 -0.00836 0.08944 51 2S -0.11313 0.17719 -0.07789 0.16963 0.28992 52 2PX -0.00919 0.07866 -0.02301 -0.08315 -0.12616 53 2PY 0.04030 0.04459 -0.16933 0.01794 -0.19537 54 2PZ -0.06610 0.17501 0.07255 -0.30163 -0.09516 55 3S 1.18980 -0.31314 -1.49167 -0.40711 -5.12052 56 3PX 0.15314 -0.12589 -0.13537 -0.05288 -1.04825 57 3PY 0.60499 -0.21400 -0.63703 -0.06120 -2.76094 58 3PZ -0.37799 0.12210 0.19540 -0.30286 0.05783 59 4XX -0.03465 0.05484 0.21898 -0.11663 0.38077 60 4YY 0.00357 -0.01400 -0.02391 -0.26519 -0.23612 61 4ZZ 0.03151 -0.07548 -0.13734 0.27527 -0.13037 62 4XY 0.01243 0.01763 -0.06118 -0.07088 -0.48494 63 4XZ 0.26636 -0.04281 -0.19516 -0.23835 -0.17846 64 4YZ -0.25025 0.20162 0.11073 -0.10755 -0.13044 65 5 C 1S 0.04011 -0.00920 -0.05602 0.03437 -0.07868 66 2S 0.03921 0.31758 -0.53067 0.56533 -1.09116 67 2PX 0.01683 0.09381 -0.04092 0.09917 -0.09296 68 2PY -0.04160 -0.00202 -0.05040 0.03943 -0.14045 69 2PZ -0.09387 0.07010 0.02249 0.04447 0.02666 70 3S -1.36398 -0.47984 2.50739 -1.90845 4.84682 71 3PX -0.04821 0.52185 0.08194 -0.45267 0.71653 72 3PY -0.09229 -0.22616 0.58170 -0.93027 1.39804 73 3PZ -0.64988 0.19355 0.86950 -0.86993 1.66052 74 4XX 0.15484 -0.20871 -0.16768 -0.02910 0.01923 75 4YY 0.11932 -0.04411 -0.08850 -0.29465 0.09173 76 4ZZ -0.22158 0.17586 0.33309 0.16155 0.10767 77 4XY 0.18744 0.26268 -0.23354 0.22805 -0.15357 78 4XZ 0.35726 -0.10629 -0.13777 -0.19325 0.15014 79 4YZ 0.13535 -0.28735 -0.17649 0.47862 -0.21548 80 6 C 1S -0.03828 0.00115 0.02169 -0.01610 -0.02624 81 2S -0.21609 -0.09528 -0.00005 -0.01291 -0.05731 82 2PX 0.04700 -0.19257 0.02554 0.02862 -0.27470 83 2PY 0.00944 -0.13769 -0.00798 -0.11822 0.15594 84 2PZ 0.07611 -0.19897 0.00317 -0.03350 -0.11383 85 3S 1.70604 -0.14431 -1.00479 0.45990 0.60557 86 3PX 0.92389 -0.37306 -0.45572 0.53310 -1.42360 87 3PY 0.18671 -1.04454 0.85298 -1.00524 1.67498 88 3PZ 0.83305 -0.84115 0.33742 -0.27638 0.32418 89 4XX 0.14450 0.05176 0.36966 0.15365 0.20720 90 4YY 0.28362 0.04801 -0.04716 -0.09885 -0.07658 91 4ZZ -0.46690 -0.00571 -0.30608 -0.11657 -0.05246 92 4XY 0.15072 0.07745 0.26339 -0.06059 -0.09446 93 4XZ 0.03509 0.23562 -0.23736 -0.19145 0.43411 94 4YZ 0.17420 -0.07639 0.11312 0.21415 -0.17861 95 7 C 1S 0.00619 -0.06402 0.01431 -0.05477 -0.00236 96 2S 0.13528 -0.37870 0.09972 -0.34300 0.32375 97 2PX 0.08248 0.08331 0.04056 0.02565 -0.06257 98 2PY -0.03607 0.16629 -0.07641 -0.01931 0.17161 99 2PZ 0.02160 0.14546 -0.03934 0.05461 0.02515 100 3S -0.70391 2.64397 -0.54459 1.97762 1.15320 101 3PX 0.83924 -0.45673 0.43148 0.38764 1.18048 102 3PY 0.79402 -0.21472 -0.31851 -0.30391 0.49668 103 3PZ 0.94477 -0.56187 0.19649 -0.02182 0.90360 104 4XX 0.11616 -0.05637 -0.01065 0.12819 -0.10173 105 4YY 0.18215 0.20418 0.16097 -0.03348 0.31675 106 4ZZ -0.33803 -0.11748 -0.15408 -0.12558 -0.20377 107 4XY 0.25401 0.03236 0.36521 -0.11509 -0.13231 108 4XZ -0.02637 0.43102 0.18009 0.31616 -0.13963 109 4YZ -0.34305 0.25730 -0.29986 0.07323 0.02314 110 8 C 1S 0.01008 -0.00678 0.00182 0.04578 0.06885 111 2S 0.14401 0.02136 0.16122 -0.09408 0.93849 112 2PX -0.02443 0.03401 -0.00630 0.14801 -0.00525 113 2PY -0.03669 -0.16301 -0.05109 0.06269 0.07270 114 2PZ -0.02899 0.04936 0.01978 -0.01098 -0.19803 115 3S -0.19638 0.23221 -0.45302 -1.50585 -4.19501 116 3PX 0.27640 0.14581 -0.03677 0.88082 1.07319 117 3PY -0.26763 -0.37782 -0.46860 0.64044 1.15690 118 3PZ 0.09557 0.22931 0.32441 0.00821 0.92923 119 4XX -0.02101 -0.19686 -0.11557 0.07214 0.07099 120 4YY -0.13906 0.15848 0.18199 -0.41424 -0.36542 121 4ZZ 0.17019 0.04449 -0.08241 0.44198 0.11888 122 4XY 0.18457 0.30052 0.06866 0.07908 -0.21312 123 4XZ 0.02964 -0.14264 -0.07521 -0.04225 -0.07524 124 4YZ 0.19470 -0.16647 -0.15890 0.46274 -0.02220 125 9 C 1S 0.00049 0.02805 0.01294 -0.07493 -0.09882 126 2S 0.18194 0.01555 0.11924 -0.15272 -0.30140 127 2PX 0.00187 0.00271 -0.07257 0.03648 -0.12229 128 2PY 0.11983 -0.07196 -0.15656 0.14972 -0.07893 129 2PZ -0.03281 0.07349 -0.07429 -0.09281 -0.24445 130 3S -0.61870 -0.44664 0.05405 2.03548 5.35487 131 3PX 0.00861 -0.00229 -0.25102 -0.13524 -0.76840 132 3PY -0.15090 -0.32854 -0.39404 0.52104 0.75427 133 3PZ 0.36440 0.07636 -0.09629 -1.00406 -2.64732 134 4XX 0.18483 0.13266 0.07615 -0.43697 -0.39638 135 4YY -0.08349 -0.33067 -0.13608 0.24691 0.02911 136 4ZZ -0.14802 0.19334 0.06346 0.11533 0.35355 137 4XY 0.10357 -0.15643 -0.01698 0.26470 0.23863 138 4XZ -0.04312 -0.11033 0.14727 0.09272 0.42967 139 4YZ -0.03122 -0.04611 0.24872 -0.09357 -0.10715 140 10 H 1S -0.00471 -0.00334 0.03047 0.15211 0.11813 141 2S 0.15897 -0.10344 -0.14388 -0.00807 -0.72447 142 11 H 1S -0.12223 0.12501 0.06084 -0.27933 0.03444 143 2S 0.02568 0.09881 0.07899 -0.31172 0.38759 144 12 H 1S -0.15847 0.01341 0.12807 -0.24894 0.09401 145 2S 0.02358 -0.00818 0.01295 -0.00180 -0.30186 146 13 H 1S 0.07049 -0.07466 0.01801 -0.06778 -0.19719 147 2S -0.11982 -0.01690 -0.03156 0.30597 0.71029 148 14 C 1S -0.00434 0.01352 -0.01063 0.00110 0.02895 149 2S 0.01105 -0.06075 -0.04936 0.04556 -0.13147 150 2PX 0.05023 -0.12666 0.06506 0.06086 -0.31790 151 2PY 0.01141 0.01934 0.02791 -0.01693 0.06215 152 2PZ -0.02873 -0.06469 -0.03092 -0.01935 -0.15191 153 3S 0.39989 -0.47524 0.16941 0.20573 -1.46415 154 3PX 0.22029 -0.21802 0.19547 0.04986 -0.49397 155 3PY -0.06979 0.29872 -0.26832 0.47814 -0.35443 156 3PZ 0.04643 0.03708 -0.20711 0.29595 -0.64168 157 4XX 0.24217 -0.22311 0.36875 0.14331 -0.28201 158 4YY -0.09678 -0.06428 -0.11112 -0.07009 0.23439 159 4ZZ -0.15587 0.29873 -0.25987 -0.06557 0.05064 160 4XY -0.04594 0.45144 0.04552 0.17150 -0.02350 161 4XZ -0.11270 0.06019 -0.09207 0.00120 -0.38879 162 4YZ 0.04663 0.19676 0.16219 0.05857 0.01660 163 15 H 1S -0.03626 0.20755 0.00977 0.00245 -0.00634 164 2S 0.08006 -0.16543 0.11866 -0.19739 0.25265 165 16 H 1S 0.06410 -0.21790 -0.04839 0.02799 0.02311 166 2S 0.00102 0.18881 -0.11076 0.20866 -0.20566 167 17 C 1S 0.00032 0.02473 -0.01023 0.01550 0.03425 168 2S 0.00540 -0.05108 0.00902 0.00808 0.01768 169 2PX -0.02736 -0.05280 -0.04201 0.01551 -0.04328 170 2PY -0.02837 0.18802 -0.09943 0.02816 0.22691 171 2PZ 0.05621 0.04907 0.02451 0.01608 0.05089 172 3S -0.34526 -0.84800 0.52061 -0.42997 -1.06953 173 3PX -0.45208 0.24365 0.01269 -0.29117 -0.59181 174 3PY 0.13492 0.27434 -0.26578 0.12699 0.59608 175 3PZ -0.22953 0.31782 0.00808 -0.09258 -0.14816 176 4XX -0.15094 0.01726 -0.18042 -0.03217 0.15335 177 4YY 0.17859 -0.18322 0.28077 0.02661 -0.33732 178 4ZZ -0.01795 0.20303 -0.11240 0.06901 0.19053 179 4XY 0.27336 0.38873 0.23380 0.08053 0.15535 180 4XZ 0.11588 -0.07137 0.09833 -0.08818 0.02550 181 4YZ -0.13856 0.09181 -0.11361 -0.04503 -0.22241 182 18 H 1S -0.01058 -0.15313 -0.06929 0.08752 0.09730 183 2S 0.16299 0.00336 0.02313 0.10438 0.09809 184 19 H 1S 0.01089 0.27446 0.05588 0.05106 -0.05708 185 2S -0.22168 0.15501 -0.02316 -0.09028 -0.21791 166 167 168 169 170 V V V V V Eigenvalues -- 2.68619 2.73729 2.74882 2.79411 2.82940 1 1 S 1S -0.01149 -0.00643 0.00132 0.02468 0.00640 2 2S 0.01473 0.01962 -0.02378 -0.03990 -0.01885 3 2PX -0.01979 0.02267 0.01399 -0.02910 0.00396 4 2PY 0.01686 0.08660 0.01805 -0.17982 -0.02243 5 2PZ 0.01198 -0.03917 -0.00429 0.06833 0.00770 6 3S -0.36675 -0.14131 0.00601 0.66928 0.17119 7 3PX 0.15988 -0.16878 -0.07336 0.16559 -0.03108 8 3PY -0.10850 -0.57661 -0.12340 1.24779 0.15732 9 3PZ -0.07664 0.29231 0.02397 -0.48925 -0.05156 10 4S -0.31590 -0.27714 0.33036 0.97030 0.23297 11 4PX 0.15532 -0.00133 -0.15982 -0.23685 -0.09368 12 4PY -0.03370 -0.18538 -0.00397 0.27192 0.06042 13 4PZ 0.04291 0.01367 0.10074 -0.08757 0.05365 14 5XX 0.01814 0.13703 -0.00079 -0.34002 -0.04539 15 5YY 0.01132 -0.25517 -0.09129 0.56439 0.04822 16 5ZZ 0.06179 0.07010 -0.00835 -0.11835 -0.04693 17 5XY -0.02403 0.04084 0.03141 -0.01407 0.01023 18 5XZ 0.05901 -0.00476 0.00969 -0.04921 -0.01350 19 5YZ 0.08918 0.18796 0.04512 -0.52045 -0.07997 20 2 O 1S -0.00417 -0.01895 -0.00280 0.03094 0.00319 21 2S -0.11153 -0.31148 -0.00666 0.86903 0.14237 22 2PX 0.01178 -0.02034 -0.00043 -0.03947 0.00252 23 2PY -0.00238 0.01577 0.00398 -0.04702 -0.00562 24 2PZ 0.00507 -0.01081 0.01697 0.02138 0.01612 25 3S 0.31112 0.90398 0.02199 -2.22339 -0.35183 26 3PX -0.05197 0.02977 0.02437 0.16766 0.02074 27 3PY -0.13935 -0.52902 -0.07323 1.30458 0.18469 28 3PZ 0.04589 0.26048 -0.01463 -0.59169 -0.12919 29 4XX -0.04985 -0.30427 -0.03195 0.55670 0.10697 30 4YY 0.10361 0.35789 0.07041 -0.85885 -0.12089 31 4ZZ -0.06069 -0.10917 -0.04427 0.30515 0.00125 32 4XY 0.00461 0.02938 -0.00550 -0.10484 -0.01618 33 4XZ 0.00609 -0.00088 0.00359 0.05731 0.01053 34 4YZ -0.06695 -0.34724 -0.06065 0.74496 0.09807 35 3 O 1S -0.00785 0.01892 0.00793 -0.01242 0.02961 36 2S -0.16597 0.15065 0.23875 -0.06105 0.35354 37 2PX -0.01417 0.04371 0.00794 0.01091 -0.03166 38 2PY -0.03370 -0.03453 0.01393 -0.04453 -0.00392 39 2PZ -0.00671 0.02446 0.03469 -0.00387 0.00432 40 3S 0.96763 -0.87195 -0.84858 0.11508 -1.29794 41 3PX -0.21253 0.10225 0.18607 -0.04731 0.60717 42 3PY 0.14574 0.16931 -0.11934 0.11767 0.08744 43 3PZ 0.29825 -0.37321 -0.29328 0.07144 -0.32174 44 4XX -0.12110 0.16541 0.04526 0.09520 -0.18737 45 4YY 0.01879 0.02628 0.03314 -0.08160 0.19617 46 4ZZ 0.06243 -0.08101 -0.05139 -0.10179 0.13343 47 4XY -0.14280 -0.26388 -0.07490 0.00570 -0.07944 48 4XZ -0.11252 0.06145 0.06857 0.11939 0.23074 49 4YZ 0.06040 0.13963 -0.01768 0.18342 0.03582 50 4 C 1S -0.06478 -0.02367 -0.00502 -0.02428 0.00670 51 2S -0.32021 -0.18352 -0.09350 -0.17471 0.24384 52 2PX -0.01400 0.07090 -0.00487 -0.01741 0.24593 53 2PY 0.05327 0.04107 0.01476 0.00241 0.22216 54 2PZ -0.11553 0.23388 -0.04962 -0.01164 0.47334 55 3S 3.90926 -0.29447 -0.40528 0.79925 -0.38525 56 3PX 0.69476 -0.01652 -0.24224 0.06346 0.24415 57 3PY 2.16584 -0.05091 -0.43491 0.54861 -0.48806 58 3PZ -0.50566 0.51551 -0.19145 -0.15346 1.27293 59 4XX -0.35559 -0.05899 -0.03263 -0.10065 0.09519 60 4YY 0.31276 0.12301 -0.05130 0.04527 -0.07315 61 4ZZ 0.00504 0.04013 0.19208 0.08011 0.16646 62 4XY 0.25323 0.08419 -0.10320 -0.04490 0.31150 63 4XZ -0.12157 0.41379 0.08456 0.16256 0.33127 64 4YZ -0.21559 0.22374 -0.18161 -0.10408 0.74497 65 5 C 1S 0.06176 -0.06414 -0.04949 0.00089 -0.06554 66 2S 0.99161 -0.59140 -0.43086 0.16344 -0.50629 67 2PX 0.09523 -0.14546 -0.11748 -0.07364 0.20140 68 2PY 0.15371 0.13550 0.19719 0.15728 -0.11673 69 2PZ 0.00305 -0.09326 -0.12289 -0.03808 -0.04067 70 3S -3.94333 2.95353 2.30936 -0.32213 2.68097 71 3PX -0.88455 0.72083 0.10299 0.03561 0.58632 72 3PY -0.93059 0.95602 1.37205 0.12915 0.12324 73 3PZ -1.77261 1.26594 0.47361 -0.06713 0.76576 74 4XX 0.00078 0.20749 0.09183 0.06510 0.21710 75 4YY -0.01357 0.03491 0.39824 0.08361 -0.32813 76 4ZZ -0.25272 -0.14638 -0.39661 -0.22848 0.25874 77 4XY 0.02386 -0.42955 -0.32949 -0.17667 0.06027 78 4XZ -0.25882 0.00017 -0.15419 0.03430 -0.10879 79 4YZ 0.14362 0.06082 0.27894 0.12633 -0.18622 80 6 C 1S -0.05174 0.08992 0.07003 0.03556 -0.04552 81 2S 0.22606 0.45802 -0.06914 0.38375 -0.26894 82 2PX -0.22677 -0.03114 -0.06542 -0.03124 -0.03501 83 2PY 0.03225 0.02835 0.03153 0.01045 0.06425 84 2PZ -0.10825 -0.00160 -0.04112 -0.02406 -0.00433 85 3S 2.68331 -3.88156 -1.78849 -1.37728 1.57773 86 3PX 0.29956 -2.42049 -0.85003 -1.17069 0.63404 87 3PY -0.34299 0.04177 1.15696 -0.37505 0.96199 88 3PZ -0.10583 -1.73752 0.19311 -0.97113 1.04751 89 4XX 0.41725 0.29133 -0.02462 0.13765 0.09296 90 4YY -0.25875 -0.33334 -0.23634 -0.23377 0.01033 91 4ZZ -0.25134 0.09432 0.37460 0.03921 -0.04286 92 4XY -0.09473 0.07248 0.58058 0.02698 0.01098 93 4XZ 0.28518 -0.28805 0.03627 -0.03390 0.19189 94 4YZ 0.13937 -0.38925 -0.04710 -0.22747 0.28882 95 7 C 1S 0.01994 -0.11477 0.04710 -0.04737 0.05735 96 2S 0.11179 -0.22641 -0.06158 -0.19871 0.20111 97 2PX -0.13254 -0.05327 -0.01218 -0.07264 0.00048 98 2PY 0.41460 0.06043 0.02611 0.05868 0.00905 99 2PZ 0.04938 -0.01985 0.00812 -0.00613 0.01546 100 3S -1.11382 4.85813 -0.56757 2.27415 -1.64705 101 3PX -1.18142 0.03543 -0.32960 -0.34228 0.58129 102 3PY 1.68055 -1.87633 0.05372 -0.52652 1.13859 103 3PZ -0.11136 -1.00584 -0.28722 -0.67633 1.10577 104 4XX -0.33585 -0.07035 -0.09967 -0.06480 -0.04531 105 4YY 0.59729 0.21353 -0.05415 0.20311 0.07854 106 4ZZ -0.15257 -0.25684 0.21316 -0.12161 0.02257 107 4XY 0.04891 -0.25071 0.49879 -0.08720 0.02485 108 4XZ -0.26516 0.45531 -0.13933 0.22729 -0.22190 109 4YZ 0.05953 0.17195 0.24428 0.09069 -0.29982 110 8 C 1S -0.07943 0.05747 0.00151 0.01041 0.04184 111 2S -0.80804 0.45528 0.26568 -0.02016 0.34923 112 2PX -0.10939 0.14306 -0.10975 0.05483 -0.02264 113 2PY 0.08312 -0.13667 0.14353 -0.09806 0.14853 114 2PZ 0.08386 -0.02646 -0.12018 0.04690 -0.09761 115 3S 4.00750 -2.42795 -0.51981 -0.31434 -1.69943 116 3PX -1.35167 1.04519 -0.27023 0.05494 0.24889 117 3PY -0.84719 0.64465 0.69614 0.11949 0.77868 118 3PZ -1.33966 1.01839 -0.03525 0.21410 -0.18217 119 4XX 0.04732 -0.14840 0.33294 -0.02299 0.09056 120 4YY 0.21294 -0.01894 -0.40569 0.01048 -0.36987 121 4ZZ -0.15750 0.11609 0.00612 0.03767 0.19787 122 4XY -0.25137 0.15207 -0.28157 -0.00618 -0.31271 123 4XZ 0.26015 -0.22097 0.26920 -0.08556 0.06598 124 4YZ -0.05266 0.10982 -0.11182 0.05298 -0.06288 125 9 C 1S 0.03125 0.02002 -0.01699 0.00221 -0.00036 126 2S 0.27369 -0.09200 -0.08119 0.04856 -0.32736 127 2PX -0.01843 0.13462 0.02869 0.01595 0.24783 128 2PY -0.05382 0.21613 0.09502 0.05501 0.40351 129 2PZ 0.02103 0.18166 -0.05834 0.01558 0.31002 130 3S -3.35939 0.22873 1.10023 -0.36534 0.43071 131 3PX 0.44451 0.10053 0.01042 0.11464 0.42070 132 3PY -0.58822 0.46598 0.34812 -0.04409 1.38243 133 3PZ 1.87579 -0.30527 -0.37262 0.22820 -0.08633 134 4XX 0.04714 0.12756 -0.04420 0.01954 -0.10549 135 4YY 0.18929 0.00220 0.14238 -0.05330 0.26025 136 4ZZ -0.25979 -0.13753 -0.00451 0.01021 -0.22544 137 4XY -0.13590 -0.04916 0.08681 -0.00384 -0.29987 138 4XZ -0.06079 -0.23539 0.00068 -0.00464 -0.37543 139 4YZ 0.19872 -0.22106 -0.14680 -0.03411 -0.75846 140 10 H 1S -0.15996 -0.02984 0.00115 0.01337 0.02843 141 2S 0.63613 0.02032 -0.12105 0.16136 -0.16288 142 11 H 1S -0.00965 0.12169 0.06728 0.03795 -0.00994 143 2S -0.45264 0.35026 0.20931 0.02505 0.16008 144 12 H 1S 0.01564 -0.08381 0.06040 0.00205 0.11437 145 2S 0.42163 -0.32227 -0.07069 -0.09993 -0.15495 146 13 H 1S 0.08292 0.09253 -0.03250 -0.02692 -0.05473 147 2S -0.50292 0.10221 0.12002 -0.04926 0.12865 148 14 C 1S 0.04663 -0.01185 -0.00783 0.00251 0.00669 149 2S 0.00140 -0.08992 0.02717 -0.03714 -0.04994 150 2PX -0.25940 -0.04137 0.05767 -0.07450 -0.05817 151 2PY 0.08113 0.00997 0.02296 0.01319 0.04093 152 2PZ -0.17534 -0.04218 0.04941 -0.04435 -0.03316 153 3S -1.15298 -0.79357 -0.07610 -0.61732 0.13122 154 3PX -0.61746 -0.28814 0.00218 -0.28084 0.13043 155 3PY 0.22051 0.25624 -0.47262 0.30019 -0.50555 156 3PZ -0.25913 -0.03637 -0.30005 -0.02220 -0.25223 157 4XX -0.22906 0.02526 -0.00362 -0.07263 0.00483 158 4YY 0.20495 0.07062 -0.14502 0.05826 0.00957 159 4ZZ 0.04974 -0.13916 0.13499 -0.00938 0.00234 160 4XY 0.23170 -0.08411 0.28784 0.03641 0.07220 161 4XZ -0.45088 -0.03302 0.24871 -0.05918 -0.07314 162 4YZ 0.05784 0.07006 0.13988 0.05528 0.01071 163 15 H 1S 0.03500 -0.12326 0.21403 -0.04339 0.08868 164 2S -0.06304 -0.08052 0.09731 -0.12308 0.22889 165 16 H 1S 0.05559 0.02225 -0.23773 0.00984 -0.06151 166 2S -0.00341 0.00792 -0.16626 0.04912 -0.14036 167 17 C 1S 0.02339 0.03405 0.00086 0.01978 0.00028 168 2S -0.13041 -0.01409 0.08337 0.00411 0.04621 169 2PX -0.08233 -0.05355 -0.01338 -0.03189 0.01004 170 2PY 0.33447 0.19645 -0.08541 0.13882 -0.01696 171 2PZ 0.08734 0.04593 -0.03879 0.03187 0.02121 172 3S -1.25646 -0.29968 0.01738 -0.48545 -0.46558 173 3PX 0.13495 0.15019 0.19739 0.10319 -0.44394 174 3PY 0.64366 0.18694 0.04142 0.19208 0.21845 175 3PZ 0.33071 0.26077 0.20514 0.24505 -0.27051 176 4XX 0.21399 0.16300 -0.16871 0.07758 -0.01752 177 4YY -0.41392 -0.24181 0.09922 -0.12970 0.04076 178 4ZZ 0.15865 0.13152 0.07976 0.06464 -0.04170 179 4XY 0.17098 0.03070 0.31705 0.04217 0.00250 180 4XZ 0.09432 -0.06698 0.00689 -0.01804 0.04142 181 4YZ -0.23101 -0.24613 0.29530 -0.16138 -0.09177 182 18 H 1S -0.03248 0.06958 -0.19969 0.04038 0.07810 183 2S -0.15641 -0.06532 -0.07386 -0.06160 0.11173 184 19 H 1S -0.01452 0.03331 0.22086 0.02828 -0.08073 185 2S 0.10768 0.14370 -0.00472 0.12424 -0.20756 171 172 173 174 175 V V V V V Eigenvalues -- 2.88127 2.91919 3.06228 3.14016 3.74912 1 1 S 1S -0.00227 0.01084 0.00483 0.00106 -0.03543 2 2S 0.00142 -0.02335 -0.02351 -0.00319 0.15284 3 2PX 0.00412 0.01850 0.01208 -0.00424 0.00296 4 2PY 0.00237 -0.01607 0.00704 -0.00320 -0.01097 5 2PZ -0.01117 -0.01671 -0.00080 -0.00090 0.00672 6 3S -0.08077 0.34206 0.15568 0.03483 -1.41516 7 3PX -0.03579 -0.14424 -0.07075 0.02745 -0.07943 8 3PY -0.02360 0.10368 -0.04780 0.02851 -0.14334 9 3PZ 0.08053 0.11090 0.00855 -0.00781 -0.02268 10 4S 0.07425 0.32337 0.10281 -0.03337 -0.70066 11 4PX -0.08903 -0.20459 -0.06490 0.02849 0.04918 12 4PY 0.07896 0.05973 0.02672 -0.03747 -0.69533 13 4PZ 0.16749 0.04488 -0.02212 0.05675 0.12494 14 5XX 0.04906 -0.03527 -0.01928 -0.03671 0.62840 15 5YY -0.04144 -0.03802 -0.08593 0.01636 0.65044 16 5ZZ 0.02287 -0.07884 -0.08003 -0.00476 0.58295 17 5XY -0.02304 -0.01842 0.01171 0.01623 0.03784 18 5XZ -0.05515 -0.07712 -0.00059 -0.01355 0.02308 19 5YZ 0.00034 -0.04845 0.02676 -0.02713 -0.02380 20 2 O 1S -0.00160 -0.00664 -0.00545 -0.01244 -0.37529 21 2S -0.03045 0.14497 0.00375 0.04193 -0.02007 22 2PX 0.00008 -0.02380 -0.00229 -0.01120 0.02803 23 2PY 0.00063 -0.00363 -0.00207 0.00007 0.15804 24 2PZ -0.00647 0.01028 -0.00299 0.00895 -0.07215 25 3S 0.07044 -0.26600 0.01928 0.04952 3.48867 26 3PX 0.00931 0.09899 0.01276 0.01928 -0.07723 27 3PY -0.05672 0.11283 -0.02750 0.02672 -0.49378 28 3PZ 0.02366 -0.08702 0.02378 -0.03820 0.25278 29 4XX -0.01994 -0.00143 -0.04056 -0.03465 -1.28946 30 4YY 0.02111 -0.06846 0.01587 -0.05656 -1.20071 31 4ZZ -0.00514 -0.01558 -0.01576 -0.03518 -1.27777 32 4XY -0.00641 -0.03185 0.00201 0.00190 0.03474 33 4XZ -0.01984 0.02962 -0.00111 0.00844 0.00578 34 4YZ -0.05117 0.05390 -0.02399 0.02832 -0.04481 35 3 O 1S 0.05776 0.03139 0.00305 0.00008 0.30252 36 2S 0.77237 0.49565 0.04855 -0.02272 0.10771 37 2PX -0.06397 -0.01354 0.00512 0.00752 -0.03701 38 2PY -0.02284 0.00680 0.01759 -0.01831 0.03005 39 2PZ 0.00582 -0.00345 0.00053 0.00481 0.09905 40 3S -2.66620 -2.07283 -0.22235 0.07482 -2.85830 41 3PX 1.47486 0.93628 0.01299 -0.02740 0.30698 42 3PY 0.27600 0.01323 -0.14850 0.10345 0.01288 43 3PZ -0.63010 -0.49006 -0.05198 -0.02246 -0.39722 44 4XX -0.52182 -0.32212 0.03857 0.01300 0.89891 45 4YY 0.47147 0.25055 0.00532 0.02685 1.04597 46 4ZZ 0.23095 0.15016 -0.01908 -0.04461 1.01306 47 4XY -0.23144 0.04153 0.03996 -0.00868 -0.10190 48 4XZ 0.63363 0.30258 -0.01884 0.02013 0.01217 49 4YZ 0.12821 0.02821 -0.06584 0.00462 -0.04595 50 4 C 1S 0.00498 0.04934 -0.00420 -0.00090 0.03342 51 2S -0.14866 -0.10950 -0.10587 -0.06332 -0.31957 52 2PX -0.09116 -0.06113 0.01051 0.02472 0.01347 53 2PY -0.09643 -0.11754 -0.02919 0.00504 -0.01753 54 2PZ -0.11696 -0.01162 0.00984 0.07437 0.06523 55 3S -0.97622 -2.93070 0.05823 0.43879 0.17263 56 3PX -0.52372 -0.62651 -0.00396 0.06838 0.00260 57 3PY -0.49345 -1.68216 0.00191 0.37228 0.16897 58 3PZ -0.48709 0.41350 -0.32848 0.17090 -0.08573 59 4XX -0.06732 0.14531 -0.03321 -0.00301 0.18800 60 4YY -0.19829 0.53320 -0.26280 -0.06798 0.11676 61 4ZZ 0.32233 -0.51558 0.37265 0.13328 0.11513 62 4XY -0.22598 0.07513 -0.08692 -0.04299 0.02727 63 4XZ -0.02745 -0.29714 0.04707 0.06715 -0.00041 64 4YZ -0.34741 0.01657 -0.07240 0.10739 0.00291 65 5 C 1S -0.06451 -0.11402 -0.00470 0.03929 0.08448 66 2S -0.48832 -0.97524 -0.41582 -0.04924 -0.66713 67 2PX 0.43293 0.12529 -0.06770 0.09525 0.02816 68 2PY 0.10010 -0.08518 0.06288 -0.10961 -0.01967 69 2PZ -0.40834 -0.08975 -0.09058 -0.02618 -0.04053 70 3S 2.97072 5.46131 0.85065 -0.82706 0.23786 71 3PX 1.30776 1.13700 -0.20752 0.27788 0.47600 72 3PY 1.10010 1.64437 0.80199 -0.48544 0.06789 73 3PZ -0.00456 1.43481 0.11603 -0.00789 -0.17194 74 4XX 0.88439 0.14873 -0.03707 0.04946 0.35367 75 4YY -0.35598 0.13311 0.21447 -0.16172 0.32444 76 4ZZ -0.37525 -0.05383 0.02617 0.22282 0.31148 77 4XY 0.21215 0.12080 0.03257 0.26810 0.00735 78 4XZ -0.48027 -0.35546 -0.01907 0.09618 0.02402 79 4YZ 0.01950 -0.37960 0.35124 0.03619 0.00482 80 6 C 1S 0.00850 0.05547 0.02701 0.06273 0.04203 81 2S -0.02620 -0.05553 -0.12034 -0.11020 -0.46598 82 2PX -0.04652 0.18225 0.24208 0.11701 -0.07571 83 2PY 0.00701 -0.00563 0.08530 -0.19104 0.05686 84 2PZ -0.02643 0.12256 0.20058 -0.02775 0.01897 85 3S -0.65656 -2.65689 -0.70633 -1.58400 0.11776 86 3PX -0.71373 -1.47705 0.60866 -0.10532 0.34459 87 3PY 0.65425 1.28460 0.97516 -1.32274 -0.12243 88 3PZ 0.15460 -0.03691 1.04969 -0.93135 0.06602 89 4XX 0.09845 -0.30851 -0.41359 -0.16117 0.25464 90 4YY -0.03438 0.30909 0.26767 0.55561 0.16766 91 4ZZ 0.01685 0.15951 0.30337 -0.19886 0.17693 92 4XY -0.14809 0.24875 0.55396 -0.46135 0.05755 93 4XZ -0.02256 -0.18773 -0.18674 -0.70516 0.02224 94 4YZ -0.04124 0.02537 0.48063 -0.16600 0.01243 95 7 C 1S 0.01612 -0.03344 -0.02103 -0.06142 0.00143 96 2S 0.00824 -0.08621 0.14641 0.09708 0.15220 97 2PX 0.00052 -0.00869 0.05089 -0.17731 0.04254 98 2PY -0.12258 0.13566 0.28132 0.11333 0.03812 99 2PZ -0.04302 0.06386 0.15538 -0.10261 0.01572 100 3S -0.20404 2.40839 0.50650 1.62103 -0.59181 101 3PX 0.47002 1.30322 0.76554 -1.20041 -0.29729 102 3PY -0.39920 -1.13765 0.84782 -0.24351 0.15918 103 3PZ 0.04880 0.28508 0.98833 -1.08039 -0.02487 104 4XX 0.06732 -0.00334 -0.25833 -0.57896 -0.00193 105 4YY -0.13252 0.24636 0.53014 0.43383 -0.11141 106 4ZZ 0.14054 -0.21995 -0.41412 -0.04065 -0.02514 107 4XY 0.03983 -0.21303 -0.58567 0.40217 0.02575 108 4XZ 0.05239 -0.03963 -0.30029 -0.01948 -0.02966 109 4YZ -0.10668 0.08728 -0.17064 0.70559 -0.05547 110 8 C 1S 0.00223 0.08753 0.00377 -0.03746 -0.01338 111 2S 0.25139 0.79584 0.36393 0.07429 -0.15714 112 2PX 0.00727 0.09641 0.00217 -0.12976 -0.01149 113 2PY -0.10747 0.05556 -0.13106 0.07971 0.01138 114 2PZ 0.01115 -0.17200 0.03203 -0.04543 0.01483 115 3S -0.46054 -4.28459 -0.68360 0.76157 0.88876 116 3PX 0.11596 1.29596 0.46453 -0.38137 -0.16112 117 3PY -0.22047 0.96609 -0.36128 0.34710 -0.11600 118 3PZ 0.52603 1.20285 0.40267 -0.21895 -0.26210 119 4XX -0.12299 0.07462 -0.26981 0.09407 0.00691 120 4YY 0.15530 -0.20445 0.23459 -0.07988 0.04971 121 4ZZ -0.09079 -0.00394 -0.13596 -0.12132 0.01011 122 4XY 0.06266 -0.02137 -0.07082 -0.29969 0.02371 123 4XZ -0.09337 -0.11296 -0.25145 0.11118 0.02186 124 4YZ -0.21209 0.37771 -0.18971 -0.18761 -0.00581 125 9 C 1S 0.02176 -0.04289 0.01101 0.00034 -0.00145 126 2S -0.06475 -0.00500 0.05203 0.03305 0.18030 127 2PX -0.09399 -0.04455 -0.02302 0.03788 0.01062 128 2PY -0.15769 0.00384 -0.01623 0.07186 0.00048 129 2PZ -0.10182 -0.12454 -0.01452 0.02498 0.02047 130 3S 0.60183 3.02402 -0.09681 -0.39675 -0.47491 131 3PX -0.30459 -0.26067 -0.20279 0.23566 -0.03120 132 3PY -0.53173 0.76360 -0.27451 0.06641 -0.22065 133 3PZ -0.41139 -1.50791 0.06375 0.27649 0.31742 134 4XX 0.11597 -0.11577 -0.00663 -0.07880 -0.01685 135 4YY -0.23514 0.55816 -0.28243 -0.04859 -0.07089 136 4ZZ 0.33861 -0.47368 0.26140 0.08583 -0.09301 137 4XY -0.08035 0.37315 -0.25550 -0.08997 -0.01705 138 4XZ 0.18488 -0.07009 0.12076 -0.04045 -0.00100 139 4YZ 0.22342 0.20940 -0.02937 -0.12159 0.03189 140 10 H 1S 0.08557 -0.32538 0.13344 0.08520 -0.00118 141 2S -0.17513 -0.29019 -0.04505 0.07313 0.05874 142 11 H 1S 0.07770 0.15878 -0.10318 -0.08334 -0.07506 143 2S 0.07221 0.31122 0.18690 0.02584 0.08154 144 12 H 1S 0.09372 -0.07274 0.13767 0.08835 -0.04990 145 2S -0.12091 -0.34071 -0.15299 -0.03220 0.14436 146 13 H 1S -0.07558 0.30983 -0.14482 -0.08369 0.01711 147 2S 0.10692 0.23627 0.02536 -0.04033 -0.11220 148 14 C 1S -0.00213 -0.01842 -0.01945 -0.01171 -0.00216 149 2S -0.06053 0.03017 0.19777 0.15281 -0.00461 150 2PX -0.04226 0.18624 0.32510 0.23837 -0.01839 151 2PY 0.01956 -0.03609 -0.03479 -0.11499 0.02144 152 2PZ -0.04693 0.11179 0.18834 0.08920 -0.02306 153 3S -0.23292 -0.12694 0.92938 0.28996 0.22717 154 3PX -0.03629 0.20480 0.48718 0.14149 0.04220 155 3PY -0.26025 -0.42680 -0.50524 0.43216 -0.04731 156 3PZ -0.16264 -0.15444 -0.00132 0.37562 0.06758 157 4XX -0.02740 0.21019 0.25771 0.24133 -0.03270 158 4YY 0.09864 -0.13816 -0.25255 -0.00465 0.00150 159 4ZZ -0.08641 -0.01637 0.02546 -0.20388 -0.01290 160 4XY -0.08049 -0.10573 0.08621 -0.39349 0.02288 161 4XZ -0.05834 0.24541 0.33187 0.01715 -0.00593 162 4YZ -0.05217 -0.06807 -0.02306 -0.19043 0.00877 163 15 H 1S -0.01847 0.05191 0.13353 -0.19141 0.00339 164 2S 0.12051 0.21963 0.18065 -0.10094 -0.00038 165 16 H 1S 0.00462 -0.04234 -0.09941 0.20878 -0.01179 166 2S -0.09061 -0.10063 -0.11425 0.13092 -0.00086 167 17 C 1S -0.00958 0.01531 0.01779 0.01256 -0.03161 168 2S 0.05894 -0.00525 -0.19553 -0.15629 0.20949 169 2PX 0.01175 -0.02471 -0.04621 -0.10949 0.02332 170 2PY -0.11719 0.15543 0.36155 0.26176 -0.04069 171 2PZ -0.01913 0.03300 0.10255 0.00734 -0.01373 172 3S 0.46061 0.05553 -0.88737 -0.33941 0.13655 173 3PX -0.00579 -0.40440 -0.41356 0.38460 0.07312 174 3PY -0.24282 0.12559 0.47879 0.23961 -0.01075 175 3PZ -0.07098 -0.18858 -0.18812 0.40587 0.02536 176 4XX -0.05414 0.06023 0.24048 0.01653 -0.10771 177 4YY 0.13550 -0.22181 -0.37892 -0.25191 -0.09712 178 4ZZ -0.08982 0.11937 0.09241 0.20745 -0.12157 179 4XY -0.04783 0.09688 -0.05750 0.38920 -0.03138 180 4XZ -0.00915 0.02822 0.06865 0.05224 -0.00762 181 4YZ 0.01618 -0.08789 -0.25681 0.18318 0.00434 182 18 H 1S 0.00704 0.03727 0.09569 -0.21076 0.01057 183 2S 0.03749 0.11101 0.09571 -0.13564 -0.05847 184 19 H 1S -0.01611 -0.03008 -0.13522 0.19269 0.00478 185 2S 0.00167 -0.20423 -0.16718 0.10495 0.00330 176 177 178 179 180 V V V V V Eigenvalues -- 3.97880 4.07130 4.11988 4.15282 4.19824 1 1 S 1S 0.13049 -0.07311 -0.03294 0.00666 -0.01557 2 2S -0.58449 0.43336 0.21378 -0.03022 0.08908 3 2PX -0.03380 0.00723 0.00658 -0.00243 0.00148 4 2PY 0.02800 -0.00204 -0.00179 -0.00245 -0.00200 5 2PZ -0.03439 -0.01042 -0.00665 -0.00013 0.00685 6 3S 5.10607 -2.77583 -1.23568 0.26905 -0.58762 7 3PX 0.17382 -0.03230 -0.04928 0.01625 -0.01417 8 3PY -0.31113 -0.02592 -0.00983 0.02898 0.01643 9 3PZ 0.28578 0.18325 0.08172 -0.00798 -0.07595 10 4S -2.39455 -2.35915 -1.19672 0.04564 0.06848 11 4PX 0.72749 1.03296 0.54258 0.00126 0.06214 12 4PY -0.49951 -0.39948 -0.21844 0.03538 0.18171 13 4PZ 0.24826 0.20840 0.09108 -0.01368 -0.13625 14 5XX -2.15802 1.38889 0.65359 -0.12794 0.28126 15 5YY -2.37202 1.41187 0.67334 -0.11386 0.33256 16 5ZZ -2.18170 1.40904 0.67289 -0.11787 0.27688 17 5XY -0.10816 -0.02758 -0.00958 -0.01023 -0.00060 18 5XZ -0.04002 -0.04265 -0.01564 0.00932 0.03481 19 5YZ 0.06689 -0.02472 -0.00605 0.00686 0.00032 20 2 O 1S -0.28873 -0.22923 -0.08675 0.03695 0.04992 21 2S -0.36158 -0.23234 -0.11775 0.01398 0.07077 22 2PX 0.03972 0.05458 0.00721 -0.01973 0.00442 23 2PY 0.03532 0.12029 0.05840 -0.00860 -0.01003 24 2PZ -0.01484 -0.05466 -0.01412 0.01421 0.00857 25 3S 3.45067 2.86089 1.20727 -0.35396 -0.60760 26 3PX -0.22390 -0.26496 -0.09053 0.04199 -0.00300 27 3PY -0.82827 -0.47081 -0.22039 0.03456 0.13333 28 3PZ 0.35327 0.18839 0.06311 -0.03776 -0.06555 29 4XX -1.03887 -0.75868 -0.28943 0.12357 0.17985 30 4YY -0.58849 -0.79049 -0.30136 0.12587 0.11849 31 4ZZ -0.96157 -0.77332 -0.28530 0.13190 0.16041 32 4XY 0.06269 0.04264 0.02336 -0.00142 -0.00402 33 4XZ -0.02902 -0.03192 0.00085 0.00978 0.01646 34 4YZ -0.23446 0.01402 0.01970 0.00805 0.04327 35 3 O 1S -0.15074 -0.35050 -0.11891 -0.00010 0.07497 36 2S -0.37429 -0.35178 -0.09520 -0.01907 0.15781 37 2PX -0.03742 0.04891 0.00368 -0.00770 -0.02547 38 2PY -0.06706 -0.07465 -0.02835 -0.00700 0.00770 39 2PZ -0.03634 -0.08688 -0.01645 0.00052 0.05632 40 3S 2.28284 4.09524 1.30282 0.07468 -0.97725 41 3PX 0.05787 -0.20826 0.04175 -0.02188 0.18020 42 3PY 0.42890 0.39661 0.17181 0.01579 -0.03073 43 3PZ 0.35926 0.44671 0.06868 0.04249 -0.22076 44 4XX -0.37974 -1.05441 -0.37003 0.01395 0.21481 45 4YY -0.44562 -1.18213 -0.39395 0.00050 0.28719 46 4ZZ -0.47769 -1.18830 -0.40739 0.00320 0.20744 47 4XY 0.17261 0.04427 0.02613 0.00485 -0.05807 48 4XZ 0.06163 -0.10718 -0.01625 -0.00976 0.03673 49 4YZ 0.15423 0.03789 -0.00289 0.00315 -0.01438 50 4 C 1S -0.08739 -0.09890 -0.05225 -0.02072 -0.23005 51 2S 0.52771 0.70951 0.46515 0.07780 1.46827 52 2PX 0.01462 -0.02539 -0.02173 0.00032 0.06559 53 2PY 0.03183 -0.02070 -0.00805 -0.00233 0.04322 54 2PZ -0.02494 -0.06493 -0.01833 -0.01190 0.15944 55 3S 1.07716 -0.26451 -0.49231 0.43743 0.43823 56 3PX 0.22717 -0.04299 -0.08727 0.08129 -0.07326 57 3PY 0.49317 -0.31136 -0.42924 0.23756 -0.01323 58 3PZ -0.00566 0.12711 0.13070 -0.03179 -0.13495 59 4XX -0.32976 -0.44028 -0.22931 -0.07708 -0.85683 60 4YY -0.31223 -0.40243 -0.26265 -0.06551 -0.89091 61 4ZZ -0.28852 -0.37963 -0.23342 -0.05419 -0.83146 62 4XY 0.00020 -0.04997 -0.02150 0.00197 0.03235 63 4XZ 0.00696 -0.00574 -0.01326 -0.00217 0.05956 64 4YZ -0.03328 -0.01512 0.00013 -0.01793 0.08712 65 5 C 1S -0.07326 -0.10555 -0.07726 -0.01300 -0.01803 66 2S 0.80381 0.48899 0.24914 0.18493 -0.02345 67 2PX 0.00753 -0.07406 -0.06053 0.02221 0.03079 68 2PY -0.00040 -0.06200 -0.00868 -0.00870 -0.01282 69 2PZ 0.03225 0.02796 -0.00845 0.01010 0.01324 70 3S -0.97074 0.32419 0.64094 -0.32543 0.36821 71 3PX -0.36668 -0.35962 0.15894 -0.13897 0.18209 72 3PY -0.46917 0.07121 0.20286 -0.17793 0.18717 73 3PZ -0.36597 0.47607 0.51575 -0.26996 -0.02915 74 4XX -0.36253 -0.37061 -0.22607 -0.08150 0.00210 75 4YY -0.38385 -0.41993 -0.20206 -0.10552 -0.00957 76 4ZZ -0.35302 -0.29729 -0.20952 -0.08041 0.00457 77 4XY -0.01907 -0.01058 -0.05264 0.01598 -0.03321 78 4XZ 0.00121 -0.01514 -0.05043 0.02031 -0.03365 79 4YZ -0.01901 -0.00417 -0.01949 -0.00231 -0.09084 80 6 C 1S -0.03333 0.06835 -0.15545 0.07441 -0.00344 81 2S 0.09770 -0.39677 1.08024 -0.51007 0.16586 82 2PX -0.00237 0.07134 -0.12632 0.15063 0.02356 83 2PY -0.04975 -0.10576 0.03704 -0.00463 0.00039 84 2PZ -0.00578 0.01025 -0.05467 0.09558 0.04826 85 3S 0.59103 -0.64077 -0.21550 0.00623 -0.31921 86 3PX 0.58970 -0.30542 -0.26975 0.28110 -0.06573 87 3PY -0.15759 0.29498 0.07606 -0.17814 0.04793 88 3PZ 0.08338 -0.28306 -0.19896 0.12352 -0.05172 89 4XX -0.06516 0.18728 -0.55525 0.19997 -0.04760 90 4YY -0.06743 0.28166 -0.59750 0.31128 -0.08066 91 4ZZ -0.11688 0.23851 -0.56757 0.29901 -0.03159 92 4XY -0.04090 -0.04004 -0.00890 0.05038 0.04671 93 4XZ -0.00156 -0.07038 0.04789 -0.05886 -0.02834 94 4YZ 0.01414 0.01591 0.02492 0.04790 0.02133 95 7 C 1S 0.00390 0.07661 -0.13187 -0.11497 -0.04435 96 2S 0.01569 -0.84157 0.67367 0.76215 0.39071 97 2PX 0.02613 0.01414 -0.07260 -0.03272 0.02782 98 2PY 0.01177 0.02292 0.12138 0.19085 -0.09069 99 2PZ -0.01942 0.00375 0.00615 0.06513 0.03391 100 3S -0.72747 0.69955 0.82851 0.11221 -0.11174 101 3PX -0.38476 0.35869 0.32301 -0.11556 -0.37026 102 3PY 0.30824 -0.72702 -0.48558 0.29643 0.44629 103 3PZ -0.02585 -0.15748 -0.10369 0.02345 -0.24740 104 4XX 0.00189 0.39642 -0.45128 -0.46809 -0.15784 105 4YY -0.03100 0.38164 -0.35304 -0.29188 -0.28307 106 4ZZ 0.04026 0.37596 -0.43228 -0.48095 -0.17822 107 4XY 0.03925 -0.05807 -0.01180 -0.05743 0.00361 108 4XZ -0.02652 -0.06034 0.00336 -0.01816 0.01098 109 4YZ -0.00495 0.02802 0.07209 0.02431 -0.01948 110 8 C 1S -0.01999 0.04404 -0.00463 0.00930 -0.15825 111 2S -0.47979 -0.17869 0.14987 -0.11848 0.66079 112 2PX -0.03255 0.04716 -0.00477 -0.03146 -0.02101 113 2PY 0.00995 -0.05395 0.00248 0.02137 -0.04135 114 2PZ 0.05519 -0.08202 -0.04291 0.01400 0.05839 115 3S 1.71307 -0.41889 -0.47077 0.16625 0.99232 116 3PX -0.19776 0.72239 0.45123 -0.14287 -0.26250 117 3PY -0.27900 0.44809 0.18967 -0.18658 0.01023 118 3PZ -0.76882 0.09678 0.06665 -0.18841 -0.22597 119 4XX 0.07111 0.10746 -0.00747 0.09451 -0.52429 120 4YY 0.07203 0.13624 -0.07066 0.04623 -0.39097 121 4ZZ 0.10922 0.20899 -0.01511 0.05457 -0.56562 122 4XY -0.00405 0.02162 -0.03270 -0.01781 0.02828 123 4XZ -0.07875 -0.05324 -0.01714 0.02159 -0.01082 124 4YZ -0.04201 0.03883 -0.01553 -0.02499 -0.11337 125 9 C 1S -0.02349 0.00788 0.00192 0.00511 -0.38469 126 2S 0.36554 -0.21698 -0.06399 0.01198 2.38486 127 2PX -0.01155 -0.01621 -0.01767 -0.00732 -0.01774 128 2PY -0.04106 -0.03781 -0.01148 -0.00650 -0.05349 129 2PZ -0.04135 -0.04941 -0.03831 -0.00708 0.04476 130 3S -0.94260 0.70634 0.52637 -0.35146 1.09100 131 3PX 0.12005 -0.08380 -0.05679 0.06386 0.02272 132 3PY -0.15506 0.29435 0.16571 -0.04921 -0.04382 133 3PZ 0.69674 -0.46858 -0.29996 0.22212 -0.02982 134 4XX -0.10800 0.04798 0.01445 0.01261 -1.46871 135 4YY -0.16657 0.07990 0.04621 0.00372 -1.47377 136 4ZZ -0.13774 0.15344 0.05847 0.01500 -1.53203 137 4XY -0.03172 0.01113 0.02209 -0.00127 0.00885 138 4XZ 0.00935 -0.00073 -0.01003 0.00318 -0.01585 139 4YZ 0.03028 0.02368 0.01515 0.01155 0.00895 140 10 H 1S 0.05526 0.03794 0.01709 0.01568 0.11859 141 2S 0.05412 -0.16381 -0.17191 0.05194 -0.18284 142 11 H 1S 0.04371 0.08671 0.09198 -0.01638 0.03094 143 2S -0.22078 -0.00165 0.13090 -0.14246 -0.00934 144 12 H 1S 0.01073 -0.11501 -0.01653 0.02390 0.07241 145 2S 0.20445 -0.13572 -0.05861 0.13221 -0.07160 146 13 H 1S -0.01154 0.00852 0.01194 -0.01261 0.17623 147 2S -0.22124 0.15968 0.08231 -0.05893 -0.31968 148 14 C 1S -0.00178 0.12414 -0.29785 0.28553 0.03052 149 2S 0.04954 -0.84546 1.97344 -1.81128 -0.18578 150 2PX 0.01020 0.00090 0.00486 0.05662 0.03215 151 2PY -0.00666 -0.01129 0.00560 -0.00146 0.00563 152 2PZ 0.00987 0.00869 0.01388 0.03916 0.00882 153 3S 0.21048 -0.53881 0.81577 -0.81596 -0.09033 154 3PX 0.02410 -0.00434 -0.09771 0.14231 -0.00059 155 3PY 0.00599 -0.04145 -0.01931 -0.04210 -0.06900 156 3PZ 0.07149 0.01400 -0.07686 0.05255 -0.00140 157 4XX -0.02652 0.50961 -1.18885 1.17080 0.13918 158 4YY -0.01335 0.48111 -1.17888 1.09862 0.11492 159 4ZZ -0.00230 0.50298 -1.15447 1.12257 0.12116 160 4XY -0.00577 -0.03407 0.02137 -0.00437 0.00025 161 4XZ -0.00364 0.02624 -0.02025 0.04858 0.01666 162 4YZ -0.01038 -0.01097 -0.01120 -0.00203 -0.00555 163 15 H 1S 0.00012 -0.05046 0.12856 -0.10519 -0.00166 164 2S -0.02310 0.13619 -0.24281 0.33573 0.04096 165 16 H 1S 0.00598 -0.04533 0.11309 -0.11148 -0.02145 166 2S 0.01002 0.10942 -0.30338 0.27414 0.00769 167 17 C 1S -0.00385 0.06262 -0.24218 -0.35072 0.04725 168 2S -0.02167 -0.43568 1.62981 2.24127 -0.23724 169 2PX 0.00229 0.00380 -0.01061 -0.01057 0.01598 170 2PY -0.01638 0.04525 0.00505 0.06451 -0.05623 171 2PZ -0.01102 0.00563 -0.00958 0.02736 -0.01872 172 3S 0.00559 0.17670 0.94664 1.02023 -0.50555 173 3PX 0.15115 -0.06275 -0.02993 -0.04837 0.08220 174 3PY -0.00412 -0.12554 0.01510 0.17194 0.11867 175 3PZ 0.06775 -0.05266 0.03265 0.00377 0.16974 176 4XX 0.00237 0.25275 -0.95652 -1.35667 0.16624 177 4YY 0.01045 0.20219 -1.00314 -1.45117 0.23256 178 4ZZ -0.00761 0.25148 -0.94189 -1.35907 0.16584 179 4XY -0.01831 0.00665 0.04230 0.01650 -0.02229 180 4XZ -0.01263 0.00322 -0.01733 -0.00159 -0.01325 181 4YZ 0.01590 -0.00900 -0.01355 -0.03174 -0.00160 182 18 H 1S -0.02162 -0.02541 0.09020 0.13727 -0.01670 183 2S -0.05355 0.09097 -0.23627 -0.33378 -0.02373 184 19 H 1S 0.01238 -0.03664 0.10674 0.13228 0.01056 185 2S 0.05563 0.00554 -0.21783 -0.39619 0.09701 181 182 183 184 185 V V V V V Eigenvalues -- 4.28884 4.37297 4.44487 4.62725 4.84673 1 1 S 1S -0.01079 -0.00173 0.00172 0.00225 -0.01106 2 2S 0.09326 0.02430 0.03481 0.01301 0.03459 3 2PX -0.00168 -0.01737 -0.00406 -0.01430 0.04813 4 2PY 0.00066 -0.00222 -0.00337 -0.00198 0.00188 5 2PZ -0.00003 0.00399 -0.01477 -0.00351 -0.01264 6 3S -0.36837 0.00097 0.11019 0.13738 -0.58638 7 3PX -0.01028 0.13537 0.01911 0.08404 -0.35325 8 3PY -0.03480 -0.00301 0.02549 0.04984 -0.02179 9 3PZ 0.00123 -0.02842 0.16569 0.03375 0.06093 10 4S -0.97396 -0.98628 -0.97916 -0.53427 1.93332 11 4PX 0.41612 0.43357 0.45072 0.27529 -0.84765 12 4PY -0.26180 -0.09368 -0.02276 -0.03608 0.16677 13 4PZ 0.05932 -0.06593 0.08963 0.02473 -0.03614 14 5XX 0.22689 -0.01145 0.03216 -0.07833 0.34150 15 5YY 0.24655 0.00068 -0.00494 0.00200 0.28032 16 5ZZ 0.25981 0.01443 0.06401 0.00159 0.27618 17 5XY 0.01413 -0.03859 -0.05968 -0.00753 0.07162 18 5XZ 0.01195 0.02943 -0.02673 -0.00676 -0.04748 19 5YZ -0.00570 0.01985 0.00616 -0.01295 -0.00560 20 2 O 1S -0.07250 -0.04587 -0.04520 0.00513 0.06928 21 2S -0.11003 -0.08838 -0.10788 -0.01306 0.19233 22 2PX -0.00184 0.01894 0.01341 -0.01770 -0.01962 23 2PY 0.03560 0.01149 0.01746 -0.00764 -0.00593 24 2PZ -0.00294 0.00101 -0.01152 0.01114 -0.00385 25 3S 1.02593 0.69203 0.72644 0.06946 -1.21890 26 3PX -0.05411 -0.10288 -0.09572 0.00267 0.17563 27 3PY -0.18170 -0.13917 -0.17702 -0.00571 0.25540 28 3PZ 0.05263 0.05234 0.06790 -0.02268 -0.08901 29 4XX -0.24974 -0.14649 -0.15804 0.01523 0.21981 30 4YY -0.22705 -0.12035 -0.11950 0.01510 0.16370 31 4ZZ -0.23438 -0.15870 -0.13783 0.03661 0.22144 32 4XY 0.02302 0.01881 0.01336 0.00684 -0.03220 33 4XZ 0.01634 0.00853 -0.02219 0.01048 0.00018 34 4YZ 0.01038 -0.00906 -0.01911 0.02059 0.01926 35 3 O 1S -0.00146 -0.10128 -0.18857 -0.10093 0.23440 36 2S 0.00170 -0.28422 -0.31874 -0.23693 0.56751 37 2PX -0.04038 0.00462 0.03118 0.02968 -0.01763 38 2PY 0.00651 -0.01461 -0.02337 -0.04601 0.06266 39 2PZ 0.01948 -0.03234 -0.08840 -0.02808 0.06616 40 3S 0.03320 1.69996 2.66318 1.63713 -4.49735 41 3PX 0.17593 -0.26420 -0.12914 -0.23711 0.50923 42 3PY 0.05757 0.10798 0.17920 0.21829 -0.40006 43 3PZ -0.04593 0.36923 0.45298 0.26421 -0.78411 44 4XX -0.00086 -0.20173 -0.69301 -0.30106 0.82896 45 4YY 0.00288 -0.35342 -0.63135 -0.31732 0.71586 46 4ZZ 0.01503 -0.31449 -0.55354 -0.34155 0.70003 47 4XY 0.04135 0.04407 0.03373 -0.02105 0.01027 48 4XZ -0.00013 -0.10010 0.02462 -0.03032 -0.02586 49 4YZ -0.04611 -0.03591 0.03673 0.04929 -0.07416 50 4 C 1S 0.08676 0.30712 0.25078 -0.06229 0.04505 51 2S -0.36940 -1.78137 -1.23339 0.05592 -0.09472 52 2PX -0.01562 0.08824 0.10167 -0.01043 -0.01017 53 2PY 0.03322 0.20425 0.19194 -0.03164 -0.04704 54 2PZ -0.03355 -0.01277 0.08462 -0.01638 0.06957 55 3S -0.64712 -1.14255 -1.59934 1.71983 -4.02277 56 3PX -0.00392 0.00479 -0.20489 0.23370 -0.60911 57 3PY -0.28731 0.08412 -0.49664 1.01504 -1.98957 58 3PZ 0.14494 -0.12513 -0.21483 -0.17080 0.63296 59 4XX 0.31951 1.19108 0.94292 -0.21843 0.12484 60 4YY 0.26215 1.26159 1.00062 -0.10474 0.08313 61 4ZZ 0.32526 1.38610 1.01824 -0.19614 0.25822 62 4XY 0.00487 0.05463 0.10820 -0.01571 -0.06748 63 4XZ -0.03136 0.08926 0.08974 -0.01060 0.05918 64 4YZ -0.02230 0.00649 0.12957 -0.02641 -0.02514 65 5 C 1S -0.10599 -0.11666 0.21594 0.07760 -0.53210 66 2S 0.42281 1.47090 -0.78845 0.22111 0.92908 67 2PX -0.02201 -0.00441 0.00423 0.01334 -0.11243 68 2PY 0.02702 -0.00849 0.03362 0.01636 -0.14665 69 2PZ -0.03029 0.01010 0.04427 0.03255 -0.21260 70 3S 0.76923 -1.06150 -2.19550 -1.83388 8.62309 71 3PX 0.18244 -0.44673 -0.22907 -0.39870 1.18538 72 3PY 0.04386 -0.82191 -0.53705 -0.48607 2.17476 73 3PZ 0.22889 -0.56474 -0.18796 -0.56796 2.18030 74 4XX -0.33556 -0.68674 0.78004 0.10669 -1.56986 75 4YY -0.28104 -0.75955 0.72856 0.00973 -1.55031 76 4ZZ -0.40931 -0.78682 0.66301 0.17100 -1.59166 77 4XY -0.07597 0.05570 -0.01427 0.09740 -0.01613 78 4XZ -0.04002 0.01000 -0.04718 0.00320 0.00070 79 4YZ 0.02884 0.09291 0.09093 -0.04841 -0.00582 80 6 C 1S -0.27123 0.10778 -0.09798 0.33050 0.03399 81 2S 1.42782 -0.87006 0.38189 -1.81924 -0.06178 82 2PX 0.13948 -0.03566 -0.00342 -0.04655 0.00058 83 2PY 0.02179 -0.00208 0.04587 0.03636 0.00675 84 2PZ 0.11154 -0.03634 0.01164 0.01108 -0.02272 85 3S 1.05446 0.32389 1.15029 -2.01413 -2.66862 86 3PX -0.12760 0.80564 0.58074 -0.02681 -2.13313 87 3PY -0.06302 -0.79780 -0.67099 -0.59359 1.88913 88 3PZ -0.10359 0.15301 0.11175 -0.51212 -0.11102 89 4XX -1.18013 0.58270 -0.37132 1.54834 0.00705 90 4YY -0.95168 0.54222 -0.39304 1.29743 0.22455 91 4ZZ -0.97588 0.48627 -0.30096 1.39708 0.08645 92 4XY 0.10084 -0.13113 0.02046 -0.01247 -0.02116 93 4XZ -0.05366 0.05886 0.03835 0.28188 -0.04288 94 4YZ 0.09630 -0.01384 -0.00987 0.09609 0.02554 95 7 C 1S -0.30644 0.04449 -0.06222 -0.33702 0.00673 96 2S 1.64403 -0.23284 0.33426 1.75629 0.13652 97 2PX -0.00222 0.07046 -0.03333 0.02713 -0.02492 98 2PY -0.17641 0.01440 -0.00944 -0.03425 -0.05246 99 2PZ -0.05301 0.07014 -0.00545 0.05226 -0.05143 100 3S 1.28734 -1.04629 0.37836 2.44229 1.98736 101 3PX -0.04885 -0.68051 -0.02690 -0.31286 1.44512 102 3PY 0.20504 0.69843 0.25264 -0.37792 -1.33078 103 3PZ -0.02790 -0.29111 -0.11040 -0.50305 0.48153 104 4XX -1.11280 0.25145 -0.29467 -1.29856 -0.09550 105 4YY -1.35678 0.13317 -0.28728 -1.58959 0.02350 106 4ZZ -1.08409 0.17647 -0.20006 -1.34649 -0.02432 107 4XY 0.10526 -0.08757 0.06033 0.00562 0.03527 108 4XZ 0.05344 0.03805 -0.04830 -0.10146 -0.07824 109 4YZ -0.01636 -0.08342 0.08636 -0.19197 0.01757 110 8 C 1S -0.12502 -0.32075 0.23530 0.01747 0.39930 111 2S 0.48045 1.19623 -1.57542 -0.53465 -0.57752 112 2PX -0.03565 0.03555 -0.05879 -0.03901 -0.04164 113 2PY 0.04986 0.03363 -0.03938 0.00036 -0.11824 114 2PZ -0.01037 0.07162 -0.02749 0.01944 -0.20078 115 3S 0.89697 3.04554 -1.21284 0.52583 -6.45399 116 3PX 0.06118 -0.46441 0.08861 -0.12463 1.41210 117 3PY -0.04794 -0.20595 0.12374 -0.26596 1.10908 118 3PZ -0.22572 -0.68158 -0.21108 -0.26899 1.86378 119 4XX -0.31088 -1.11253 0.97193 0.28247 1.14022 120 4YY -0.46610 -1.05374 1.12585 0.20587 1.16986 121 4ZZ -0.41358 -1.05992 1.00697 0.17199 1.13187 122 4XY -0.09687 0.05745 0.04628 -0.08432 -0.01066 123 4XZ 0.05227 -0.02110 0.04019 0.11284 -0.03003 124 4YZ -0.02404 -0.00603 -0.06825 0.00080 -0.03989 125 9 C 1S 0.08549 -0.12753 -0.25485 0.04457 -0.08014 126 2S -0.42246 0.61544 1.27577 -0.07291 0.35070 127 2PX -0.00565 0.11060 0.07417 -0.00705 -0.00099 128 2PY 0.05461 0.12913 0.00292 0.00828 -0.01311 129 2PZ -0.02183 0.17001 0.21065 -0.01489 -0.00797 130 3S -0.36318 0.27376 2.37460 -1.32451 3.60660 131 3PX 0.02296 -0.08822 -0.15173 0.26082 -0.38018 132 3PY -0.11375 -0.31012 0.16636 -0.23595 0.79935 133 3PZ 0.08809 0.03725 -0.65130 0.68886 -1.69562 134 4XX 0.31179 -0.49521 -0.98951 0.11647 -0.27262 135 4YY 0.34911 -0.45139 -1.17118 0.12615 -0.39119 136 4ZZ 0.30074 -0.59216 -0.98123 0.15524 -0.28055 137 4XY 0.02081 -0.05523 -0.12766 0.01957 -0.06327 138 4XZ -0.04637 -0.10565 -0.08561 -0.01555 0.00676 139 4YZ -0.01094 -0.14614 -0.07668 0.05478 0.02159 140 10 H 1S -0.02954 -0.09737 -0.13349 0.03389 -0.01561 141 2S -0.02017 0.30840 0.09280 0.24154 -0.43168 142 11 H 1S 0.04975 0.02278 -0.02952 -0.00714 0.08938 143 2S -0.03886 -0.43875 0.10869 -0.14051 0.22973 144 12 H 1S 0.01988 0.04937 -0.07750 -0.02252 -0.05869 145 2S -0.05704 -0.07367 0.33182 0.15381 -0.32111 146 13 H 1S -0.02457 0.05248 0.06277 -0.03850 0.07499 147 2S 0.02066 -0.13526 -0.07621 -0.15260 0.33475 148 14 C 1S 0.16053 -0.03730 0.01708 -0.10460 -0.01175 149 2S -0.83427 0.26829 -0.11723 0.53024 0.10614 150 2PX 0.20560 -0.08766 0.03108 -0.26132 0.00776 151 2PY -0.04302 0.00655 -0.00289 0.07811 -0.02516 152 2PZ 0.11906 -0.04912 0.02986 -0.12553 -0.00750 153 3S -1.11539 0.61988 0.12027 0.91056 -0.85501 154 3PX -0.17049 0.10495 0.07074 0.07364 -0.19599 155 3PY 0.05656 0.25781 0.14565 0.12909 -0.32781 156 3PZ -0.09156 0.19526 0.08933 0.16837 -0.40373 157 4XX 0.76663 -0.25176 0.10258 -0.65129 -0.01764 158 4YY 0.56972 -0.16154 0.06562 -0.40388 -0.06041 159 4ZZ 0.64838 -0.16481 0.08719 -0.40506 -0.07483 160 4XY -0.02939 0.04074 0.00363 0.12128 -0.03664 161 4XZ 0.12122 -0.07895 0.03965 -0.15703 -0.02696 162 4YZ -0.03822 0.00993 0.01646 0.03415 -0.04459 163 15 H 1S -0.02173 -0.01313 -0.02011 0.03225 0.05194 164 2S 0.13735 -0.16546 -0.02644 -0.22797 0.14132 165 16 H 1S -0.03415 0.03892 -0.00395 0.02364 0.00516 166 2S 0.16599 0.08043 0.07404 -0.08075 -0.15604 167 17 C 1S 0.16154 -0.04011 -0.00577 0.08775 0.02803 168 2S -0.84533 0.24684 -0.02499 -0.48243 -0.12090 169 2PX 0.05007 0.01422 -0.00271 0.06177 -0.01673 170 2PY -0.25304 0.01849 -0.01756 -0.25449 -0.00360 171 2PZ -0.05063 0.02024 -0.02153 -0.03660 -0.01038 172 3S -1.20339 -0.08428 -0.14749 -0.73106 0.33412 173 3PX -0.04562 0.08102 0.03753 0.08969 -0.28381 174 3PY 0.22500 0.06931 0.03752 0.06027 -0.11893 175 3PZ 0.05596 0.08906 0.10862 0.11182 -0.22591 176 4XX 0.58354 -0.15347 -0.01295 0.33806 0.09009 177 4YY 0.84848 -0.17017 0.03889 0.63493 0.08791 178 4ZZ 0.59222 -0.16503 -0.01354 0.30480 0.11165 179 4XY -0.05043 -0.02597 -0.00257 -0.11388 0.04348 180 4XZ -0.03357 -0.01945 0.01377 0.01855 0.03104 181 4YZ 0.06273 -0.03313 0.02805 0.05176 0.01406 182 18 H 1S -0.03208 0.02529 -0.01618 -0.02543 0.00101 183 2S 0.15741 -0.07158 -0.05661 0.08481 0.13396 184 19 H 1S -0.02299 0.01743 0.01204 -0.03430 -0.03712 185 2S 0.14415 0.00439 0.04271 0.20715 -0.10803 Density Matrix: 1 2 3 4 5 1 1 S 1S 2.15431 2 2S -0.60223 2.36010 3 2PX -0.00654 0.03059 2.06850 4 2PY 0.00384 -0.01943 -0.01904 2.05635 5 2PZ -0.00290 0.01530 -0.00266 -0.00645 2.05117 6 3S 0.04157 -0.43927 -0.06949 0.03695 -0.02534 7 3PX 0.01802 -0.08368 -0.21297 0.05372 0.00846 8 3PY -0.01122 0.05656 0.05400 -0.17334 0.01498 9 3PZ 0.00793 -0.04000 0.00958 0.01459 -0.16370 10 4S 0.06013 -0.24571 -0.11396 0.10495 -0.07274 11 4PX 0.00683 -0.03408 -0.09367 0.02179 0.01233 12 4PY -0.00849 0.03950 0.02905 -0.04673 -0.01293 13 4PZ 0.00704 -0.03101 -0.00365 0.00075 -0.05858 14 5XX 0.02368 -0.02294 0.00801 0.01107 -0.00518 15 5YY 0.02323 -0.01977 0.00013 -0.01841 0.00871 16 5ZZ 0.02452 -0.02699 0.00363 0.00636 -0.00304 17 5XY -0.00196 0.00995 0.00406 0.00031 0.00575 18 5XZ 0.00034 -0.00168 -0.00284 0.00717 0.01438 19 5YZ -0.00062 0.00236 0.00124 0.01362 -0.01107 20 2 O 1S 0.00064 -0.00108 -0.00159 0.01679 -0.00847 21 2S -0.00128 0.00400 0.00457 -0.04119 0.01681 22 2PX -0.00973 0.05018 -0.05118 -0.01650 -0.00467 23 2PY -0.01927 0.07956 -0.01759 0.14225 -0.10986 24 2PZ 0.00666 -0.02764 -0.00953 -0.10621 -0.03232 25 3S -0.01663 0.06996 0.01314 -0.00157 0.01683 26 3PX -0.00847 0.04362 -0.01912 -0.01723 -0.00668 27 3PY -0.00774 0.02756 -0.01845 0.08261 -0.06882 28 3PZ 0.00126 -0.00316 -0.00753 -0.06442 -0.01798 29 4XX 0.00019 0.00017 0.00052 0.00220 -0.00236 30 4YY 0.00251 -0.01167 0.00050 -0.00831 0.00946 31 4ZZ 0.00048 -0.00148 -0.00046 -0.00356 -0.00687 32 4XY 0.00033 -0.00185 0.00753 -0.00092 0.00116 33 4XZ -0.00017 0.00092 -0.00341 0.00049 0.00009 34 4YZ -0.00111 0.00577 0.00006 0.00957 0.00217 35 3 O 1S 0.00182 -0.00838 -0.01145 -0.00215 -0.00746 36 2S -0.00410 0.01960 0.01893 0.00610 0.01241 37 2PX 0.00156 -0.00451 0.05147 0.04282 0.05245 38 2PY 0.00894 -0.04059 0.05364 0.02780 0.05831 39 2PZ 0.00552 -0.01826 0.07237 0.05302 0.03826 40 3S -0.01622 0.07688 0.04950 -0.02772 0.01878 41 3PX -0.00217 0.01175 0.02879 0.01773 0.03346 42 3PY 0.00564 -0.02419 0.03389 0.01534 0.04551 43 3PZ 0.00199 -0.00131 0.05845 0.03338 0.03397 44 4XX 0.00109 -0.00498 -0.00741 0.00321 -0.00030 45 4YY 0.00069 -0.00346 0.00111 -0.00043 0.00269 46 4ZZ 0.00080 -0.00336 0.00294 0.00480 -0.00158 47 4XY 0.00075 -0.00350 0.00169 0.00208 0.00410 48 4XZ 0.00067 -0.00356 0.00152 0.00379 0.00194 49 4YZ 0.00096 -0.00427 0.00759 0.00227 0.00321 50 4 C 1S 0.00025 -0.00085 0.00289 0.00148 -0.00107 51 2S -0.00003 0.00003 -0.00568 -0.00244 0.00323 52 2PX -0.00305 0.01139 -0.02025 0.00649 0.02853 53 2PY 0.00078 -0.00271 0.00195 -0.00560 -0.00505 54 2PZ 0.00060 -0.00105 0.01103 0.00162 -0.00718 55 3S 0.00360 -0.01538 -0.00070 -0.01382 -0.00530 56 3PX -0.00182 0.00701 -0.01344 0.00305 0.02228 57 3PY 0.00296 -0.01121 0.00714 -0.00677 -0.00936 58 3PZ 0.00006 0.00162 0.00960 -0.00105 -0.00020 59 4XX -0.00001 0.00015 0.00067 0.00044 0.00041 60 4YY 0.00015 -0.00045 -0.00007 0.00010 0.00000 61 4ZZ 0.00031 -0.00118 0.00048 0.00022 -0.00052 62 4XY -0.00019 0.00065 0.00018 -0.00008 0.00037 63 4XZ -0.00007 0.00034 0.00038 -0.00022 0.00053 64 4YZ 0.00009 -0.00026 0.00045 0.00025 0.00031 65 5 C 1S -0.00005 -0.00016 0.00490 0.00026 0.00055 66 2S 0.00150 -0.00562 -0.01036 0.00029 -0.00242 67 2PX 0.00032 -0.00274 -0.02935 -0.00756 -0.01347 68 2PY -0.00159 0.00683 -0.01480 -0.00151 -0.00694 69 2PZ -0.00175 0.00745 0.00213 -0.00595 0.00035 70 3S -0.00230 0.00816 -0.02767 0.00681 0.01322 71 3PX -0.00048 -0.00040 -0.01918 -0.00572 -0.00288 72 3PY -0.00294 0.01079 -0.01189 0.00059 -0.00478 73 3PZ -0.00566 0.02332 0.00655 -0.00685 0.00460 74 4XX -0.00029 0.00101 0.00088 -0.00033 -0.00158 75 4YY 0.00015 -0.00083 0.00075 0.00102 0.00115 76 4ZZ 0.00030 -0.00133 -0.00047 -0.00066 -0.00096 77 4XY 0.00015 -0.00085 0.00244 0.00011 0.00010 78 4XZ 0.00018 -0.00080 0.00271 0.00261 0.00350 79 4YZ 0.00006 -0.00001 0.00154 0.00068 0.00022 80 6 C 1S 0.00051 -0.00242 0.00360 -0.00026 -0.00069 81 2S -0.00117 0.00610 -0.00613 0.00024 0.00210 82 2PX -0.00142 0.00616 -0.01020 0.00327 0.00526 83 2PY 0.00120 -0.00569 0.00366 0.00010 0.00142 84 2PZ -0.00018 0.00139 0.00049 -0.00227 -0.00260 85 3S 0.00101 -0.00611 -0.01616 0.00903 -0.00868 86 3PX 0.00203 -0.00929 -0.00708 0.00301 0.00275 87 3PY 0.00024 -0.00173 -0.00330 0.00963 0.00230 88 3PZ 0.00195 -0.00691 -0.00135 0.00473 -0.00407 89 4XX -0.00003 0.00014 -0.00001 0.00005 0.00029 90 4YY 0.00003 0.00021 0.00080 -0.00012 -0.00002 91 4ZZ 0.00026 -0.00081 0.00067 0.00035 -0.00066 92 4XY -0.00005 0.00022 0.00031 0.00015 0.00064 93 4XZ -0.00005 0.00022 -0.00027 0.00038 -0.00007 94 4YZ -0.00003 0.00008 -0.00007 0.00035 0.00034 95 7 C 1S 0.00030 -0.00188 0.00382 -0.00164 -0.00372 96 2S -0.00069 0.00408 -0.01129 0.00425 0.00594 97 2PX -0.00262 0.00992 -0.01576 0.00326 0.01852 98 2PY -0.00012 0.00127 0.00807 -0.00456 -0.00544 99 2PZ 0.00219 -0.00956 -0.00427 0.00431 -0.00417 100 3S -0.00361 0.00889 -0.02222 0.00916 0.02255 101 3PX -0.00292 0.00831 -0.02629 0.01338 0.02193 102 3PY 0.00241 -0.00804 0.01307 0.00792 -0.01063 103 3PZ 0.00249 -0.01213 -0.00628 0.01057 -0.01371 104 4XX -0.00009 0.00011 0.00202 -0.00102 -0.00180 105 4YY -0.00026 0.00085 -0.00218 0.00066 -0.00029 106 4ZZ 0.00009 -0.00040 -0.00123 0.00031 0.00070 107 4XY 0.00011 -0.00035 -0.00133 0.00014 0.00069 108 4XZ -0.00018 0.00082 -0.00249 0.00064 0.00175 109 4YZ -0.00007 0.00035 0.00200 -0.00062 -0.00114 110 8 C 1S 0.00004 -0.00086 -0.01530 0.00472 0.01210 111 2S -0.00347 0.01312 0.01599 -0.00545 -0.01444 112 2PX 0.00334 -0.01367 0.06129 -0.01986 -0.06483 113 2PY -0.00013 0.00002 -0.01162 -0.00109 0.01194 114 2PZ -0.00593 0.02565 -0.07003 0.01787 0.07035 115 3S 0.00346 0.00043 0.09728 -0.03844 -0.05067 116 3PX -0.00361 0.01239 0.02074 -0.01657 -0.03309 117 3PY -0.00309 0.01032 -0.02443 -0.01129 0.01278 118 3PZ -0.00153 0.00138 -0.07057 0.02566 0.04114 119 4XX 0.00071 -0.00358 -0.00298 0.00084 -0.00345 120 4YY -0.00092 0.00361 -0.00323 0.00073 0.00356 121 4ZZ 0.00023 -0.00122 0.00451 -0.00128 -0.00126 122 4XY -0.00031 0.00133 -0.00027 -0.00179 0.00071 123 4XZ -0.00168 0.00706 -0.00455 0.00086 0.00700 124 4YZ 0.00000 -0.00012 0.00074 0.00173 -0.00036 125 9 C 1S 0.00093 -0.00444 0.00207 -0.00003 -0.00378 126 2S -0.00110 0.00613 -0.00267 -0.00301 0.00852 127 2PX -0.00481 0.01934 -0.00042 -0.00180 0.01000 128 2PY -0.00128 0.00617 -0.01106 0.00128 0.00807 129 2PZ 0.00320 -0.01346 0.00383 -0.00029 -0.01095 130 3S -0.00919 0.03251 -0.03074 0.00324 0.02191 131 3PX -0.00463 0.01891 -0.00108 -0.00485 0.01733 132 3PY -0.00206 0.00745 -0.01487 -0.00194 0.00856 133 3PZ 0.00588 -0.02214 0.02239 -0.01109 -0.01133 134 4XX 0.00042 -0.00177 0.00127 -0.00062 -0.00207 135 4YY -0.00017 0.00068 -0.00159 -0.00008 0.00169 136 4ZZ 0.00007 -0.00046 0.00058 -0.00059 -0.00028 137 4XY -0.00024 0.00096 0.00153 -0.00045 -0.00111 138 4XZ -0.00003 0.00025 -0.00107 -0.00041 0.00043 139 4YZ 0.00005 -0.00011 -0.00179 0.00066 0.00186 140 10 H 1S -0.00013 0.00071 0.00012 0.00084 -0.00151 141 2S 0.00001 0.00066 0.00028 0.00074 -0.00125 142 11 H 1S 0.00126 -0.00479 0.01580 0.00792 0.00988 143 2S -0.00147 0.00687 0.02411 0.00522 0.01146 144 12 H 1S -0.00323 0.01423 -0.00590 0.00032 0.01380 145 2S -0.00337 0.01487 0.00059 0.00424 0.02439 146 13 H 1S 0.00072 -0.00309 0.00499 -0.00249 -0.00594 147 2S -0.00008 -0.00043 0.00028 0.00066 -0.00945 148 14 C 1S -0.00010 0.00046 0.00005 0.00030 0.00031 149 2S 0.00022 -0.00106 -0.00031 -0.00054 -0.00107 150 2PX 0.00058 -0.00260 0.00530 -0.00145 -0.00417 151 2PY 0.00002 -0.00009 0.00365 0.00088 -0.00134 152 2PZ 0.00013 -0.00035 -0.00315 0.00102 0.00499 153 3S 0.00208 -0.00852 -0.00322 -0.00133 0.00226 154 3PX 0.00076 -0.00289 0.00560 -0.00113 -0.00192 155 3PY 0.00003 -0.00024 0.00343 -0.00324 -0.00351 156 3PZ 0.00007 -0.00063 -0.00291 -0.00082 0.00659 157 4XX 0.00001 -0.00004 -0.00024 0.00010 0.00023 158 4YY -0.00003 0.00016 -0.00001 0.00016 0.00008 159 4ZZ 0.00002 -0.00013 0.00011 -0.00021 -0.00032 160 4XY 0.00005 -0.00021 0.00007 -0.00014 -0.00015 161 4XZ -0.00001 -0.00001 0.00008 -0.00031 -0.00003 162 4YZ 0.00003 -0.00012 0.00005 0.00005 -0.00003 163 15 H 1S -0.00026 0.00121 -0.00050 0.00116 0.00139 164 2S -0.00064 0.00295 0.00102 0.00244 0.00179 165 16 H 1S 0.00001 -0.00014 -0.00058 -0.00101 -0.00103 166 2S 0.00000 -0.00011 0.00221 -0.00204 -0.00039 167 17 C 1S -0.00003 -0.00009 -0.00095 0.00007 0.00156 168 2S 0.00006 0.00056 0.00331 -0.00200 -0.00294 169 2PX -0.00077 0.00318 -0.01748 0.00519 0.01380 170 2PY -0.00045 0.00084 -0.01178 0.00364 0.01225 171 2PZ 0.00139 -0.00564 0.02242 -0.00565 -0.01929 172 3S -0.00160 0.00607 -0.00234 -0.00563 -0.00177 173 3PX -0.00044 0.00163 -0.01608 0.00614 0.01041 174 3PY 0.00039 -0.00191 -0.00554 0.00405 0.00519 175 3PZ 0.00083 -0.00210 0.02460 -0.00844 -0.01318 176 4XX 0.00001 0.00015 0.00004 -0.00055 0.00027 177 4YY 0.00017 -0.00043 0.00055 -0.00050 0.00007 178 4ZZ 0.00006 -0.00004 0.00022 -0.00049 0.00024 179 4XY 0.00004 -0.00021 0.00092 -0.00007 -0.00079 180 4XZ 0.00001 -0.00003 -0.00004 -0.00001 0.00020 181 4YZ -0.00009 0.00035 0.00026 -0.00007 -0.00006 182 18 H 1S 0.00017 -0.00056 0.00265 -0.00076 -0.00118 183 2S 0.00018 -0.00080 0.00129 0.00028 -0.00133 184 19 H 1S -0.00010 0.00027 -0.00317 0.00057 0.00332 185 2S -0.00002 -0.00002 -0.00630 0.00206 0.00644 6 7 8 9 10 6 3S 1.34166 7 3PX 0.17573 0.72448 8 3PY -0.10454 -0.14250 0.61524 9 3PZ 0.07388 -0.03172 -0.03911 0.59005 10 4S 0.45671 0.28934 -0.25543 0.14286 0.45679 11 4PX 0.08912 0.21436 -0.06542 -0.01670 0.06045 12 4PY -0.08291 -0.08021 0.09423 0.03014 -0.08562 13 4PZ 0.06252 0.00986 -0.00436 0.11565 0.04668 14 5XX -0.02286 -0.02804 -0.03254 0.01643 0.00256 15 5YY -0.02588 0.00502 0.05541 -0.02584 -0.04320 16 5ZZ -0.01572 -0.00776 -0.01717 0.00835 0.00974 17 5XY -0.01557 -0.01265 -0.00757 -0.01714 -0.05980 18 5XZ 0.00265 0.00804 -0.02132 -0.04769 0.01872 19 5YZ -0.00778 -0.00514 -0.04243 0.03067 0.00932 20 2 O 1S 0.02561 0.00481 -0.02540 0.01247 0.03016 21 2S -0.05900 -0.01601 0.07037 -0.02845 -0.08773 22 2PX -0.09282 0.12071 0.04363 0.01714 -0.24843 23 2PY -0.21526 0.05416 -0.37268 0.28572 0.14939 24 2PZ 0.07206 0.02775 0.27486 0.07812 -0.06592 25 3S -0.21792 -0.02985 -0.07370 0.00951 -0.11672 26 3PX -0.08487 0.03712 0.04979 0.01715 -0.20492 27 3PY -0.07479 0.05517 -0.19163 0.16168 0.10980 28 3PZ 0.00879 0.02155 0.15439 0.04824 -0.05228 29 4XX -0.00080 -0.00156 -0.00227 0.00241 0.00444 30 4YY 0.02647 -0.00493 0.02165 -0.02328 -0.00579 31 4ZZ 0.00288 -0.00019 0.01090 0.01219 0.00033 32 4XY 0.00336 -0.01540 0.00137 -0.00205 0.00938 33 4XZ -0.00154 0.00711 -0.00073 -0.00011 -0.00430 34 4YZ -0.01298 0.00117 -0.02135 -0.00389 0.00522 35 3 O 1S 0.02745 0.02243 -0.00161 0.01116 0.04551 36 2S -0.06258 -0.04347 -0.00173 -0.01945 -0.10096 37 2PX 0.00231 -0.13689 -0.10345 -0.13043 -0.12916 38 2PY 0.08129 -0.13492 -0.07306 -0.15409 0.05210 39 2PZ 0.06870 -0.18998 -0.13911 -0.10481 -0.15698 40 3S -0.19299 -0.07848 0.09526 -0.01362 -0.25108 41 3PX -0.03077 -0.07768 -0.03294 -0.06614 -0.10657 42 3PY 0.04380 -0.07232 -0.03470 -0.10254 0.03469 43 3PZ 0.01675 -0.13773 -0.07507 -0.08293 -0.14821 44 4XX 0.00875 0.01555 -0.00614 -0.00027 0.01422 45 4YY 0.00641 -0.00503 -0.00029 -0.00644 0.00856 46 4ZZ 0.00736 -0.01032 -0.01011 -0.00004 -0.00322 47 4XY 0.00591 -0.00229 -0.00223 -0.00635 -0.00284 48 4XZ 0.00672 -0.00369 -0.00602 -0.00282 -0.00110 49 4YZ 0.00812 -0.01566 -0.00342 -0.00584 -0.00447 50 4 C 1S 0.00251 -0.00773 -0.00301 0.00310 -0.00520 51 2S -0.00291 0.01494 0.00907 -0.00800 0.01665 52 2PX -0.04112 0.05963 -0.01671 -0.08281 0.00698 53 2PY 0.01030 -0.00485 0.01485 0.01450 0.00328 54 2PZ 0.01241 -0.03180 -0.00684 0.01969 -0.02915 55 3S -0.00213 0.05164 0.02624 -0.01294 0.03107 56 3PX -0.03075 0.04815 -0.01197 -0.07063 -0.00341 57 3PY 0.00903 0.00603 0.01334 0.01192 0.00140 58 3PZ 0.00438 -0.02582 0.00121 0.00683 -0.02768 59 4XX -0.00135 -0.00150 -0.00020 -0.00113 -0.00154 60 4YY -0.00006 0.00160 0.00072 0.00014 -0.00003 61 4ZZ 0.00269 -0.00090 0.00029 0.00108 0.00215 62 4XY -0.00169 -0.00029 -0.00041 -0.00153 -0.00155 63 4XZ -0.00141 -0.00081 0.00067 -0.00140 -0.00019 64 4YZ 0.00117 -0.00126 -0.00094 -0.00062 -0.00030 65 5 C 1S -0.00386 -0.01049 0.00072 -0.00191 -0.00616 66 2S 0.01245 0.03715 -0.00082 -0.00138 0.01824 67 2PX 0.00620 0.08280 0.01980 0.03179 0.04381 68 2PY -0.01927 0.04452 0.00430 0.01932 -0.01282 69 2PZ -0.02558 -0.00235 0.02058 0.00239 -0.01579 70 3S 0.02478 0.01272 -0.02627 0.00821 0.02344 71 3PX 0.01349 0.03684 0.00697 0.01860 0.03016 72 3PY -0.00937 0.00839 -0.00864 0.01985 -0.00186 73 3PZ -0.03047 -0.04297 0.00407 -0.00252 -0.04065 74 4XX -0.00174 -0.00202 0.00079 0.00352 -0.00596 75 4YY 0.00049 -0.00107 -0.00266 -0.00450 0.00107 76 4ZZ 0.00148 0.00291 0.00216 0.00224 0.00560 77 4XY 0.00284 -0.00723 -0.00101 -0.00051 0.00067 78 4XZ 0.00188 -0.00787 -0.00719 -0.01026 -0.00343 79 4YZ 0.00075 -0.00424 -0.00182 -0.00056 -0.00447 80 6 C 1S 0.00416 -0.00878 0.00063 0.00211 0.00929 81 2S -0.01409 0.01756 -0.00193 -0.00433 -0.01794 82 2PX -0.01783 0.02920 -0.00796 -0.01368 -0.00378 83 2PY 0.01343 -0.01113 -0.00062 -0.00489 0.02504 84 2PZ 0.00140 -0.00247 0.00540 0.00558 -0.01032 85 3S -0.00504 0.05638 0.00468 -0.00106 -0.00059 86 3PX 0.00105 0.02934 0.01105 -0.03378 0.00426 87 3PY 0.00895 -0.00465 -0.01928 -0.00026 0.01854 88 3PZ 0.00626 0.00457 0.01143 0.00025 -0.00738 89 4XX -0.00158 0.00137 0.00002 -0.00156 -0.00122 90 4YY -0.00120 -0.00097 0.00035 0.00052 -0.00254 91 4ZZ 0.00129 -0.00091 -0.00034 0.00193 0.00116 92 4XY -0.00052 -0.00135 -0.00030 -0.00180 -0.00074 93 4XZ -0.00101 0.00081 -0.00005 -0.00024 -0.00090 94 4YZ 0.00032 -0.00017 -0.00087 -0.00129 -0.00057 95 7 C 1S 0.00070 -0.01119 0.00501 0.00922 0.00759 96 2S -0.01281 0.03253 -0.01068 -0.02194 -0.00610 97 2PX -0.03442 0.04692 -0.01000 -0.05547 -0.00204 98 2PY -0.00191 -0.02097 0.01015 0.01714 -0.01948 99 2PZ 0.02760 0.00966 -0.01151 0.01486 0.02877 100 3S 0.02293 0.03137 -0.03767 -0.01838 0.05189 101 3PX -0.00807 0.05577 -0.02836 -0.03379 0.03663 102 3PY -0.00387 -0.02237 0.02000 -0.01328 -0.04596 103 3PZ 0.02676 0.01084 -0.00859 0.03089 0.02505 104 4XX -0.00040 -0.00793 0.00349 0.00486 -0.00226 105 4YY -0.00181 0.00332 -0.00092 -0.00012 -0.00245 106 4ZZ 0.00000 0.00282 -0.00109 -0.00262 0.00118 107 4XY 0.00005 0.00476 -0.00082 -0.00270 0.00162 108 4XZ -0.00205 0.00769 -0.00249 -0.00477 0.00086 109 4YZ -0.00014 -0.00612 0.00157 0.00394 -0.00245 110 8 C 1S 0.00920 0.03421 -0.01237 -0.02492 0.04175 111 2S -0.03282 -0.05247 0.01495 0.04348 -0.04797 112 2PX 0.02136 -0.16529 0.05534 0.17088 -0.05062 113 2PY -0.00412 0.03293 0.00339 -0.03442 0.02419 114 2PZ -0.05359 0.19192 -0.04946 -0.18908 0.02969 115 3S -0.06428 -0.18715 0.10147 0.05884 -0.20963 116 3PX -0.00965 -0.08252 0.03584 0.10822 -0.02693 117 3PY -0.00858 0.04615 0.00658 -0.01857 0.03284 118 3PZ 0.01490 0.14784 -0.07452 -0.09118 0.10779 119 4XX 0.00875 0.00593 -0.00243 0.00831 0.00878 120 4YY -0.00715 0.00607 -0.00151 -0.00749 -0.00103 121 4ZZ 0.00354 -0.01176 0.00278 0.00344 -0.00236 122 4XY -0.00208 -0.00024 0.00426 -0.00126 -0.00224 123 4XZ -0.01490 0.00981 -0.00169 -0.01549 -0.00410 124 4YZ 0.00066 -0.00232 -0.00381 0.00116 -0.00126 125 9 C 1S 0.00762 -0.00548 -0.00003 0.00986 0.01051 126 2S -0.01776 0.01175 0.00748 -0.02852 -0.01360 127 2PX -0.06293 0.00384 0.00699 -0.03114 -0.02494 128 2PY -0.00834 0.03104 -0.00558 -0.02127 -0.01517 129 2PZ 0.03796 -0.01388 0.00280 0.03319 0.02801 130 3S -0.02273 0.03110 -0.01392 -0.01231 0.01166 131 3PX -0.05718 0.01729 0.00692 -0.04506 -0.02307 132 3PY -0.00181 0.03254 0.00173 -0.01016 0.00442 133 3PZ 0.02829 -0.02143 0.02193 0.00838 0.00223 134 4XX 0.00321 -0.00332 0.00064 0.00499 0.00111 135 4YY -0.00220 0.00435 -0.00021 -0.00517 -0.00024 136 4ZZ 0.00071 -0.00268 0.00086 0.00142 0.00160 137 4XY -0.00135 -0.00477 0.00086 0.00380 -0.00366 138 4XZ -0.00047 0.00251 0.00195 -0.00181 0.00094 139 4YZ -0.00038 0.00545 -0.00124 -0.00578 0.00161 140 10 H 1S -0.00251 0.00038 -0.00234 0.00377 -0.00425 141 2S -0.00589 0.00577 -0.00290 -0.00054 -0.01429 142 11 H 1S 0.01981 -0.04683 -0.02498 -0.02920 -0.00852 143 2S -0.00087 -0.07614 -0.02142 -0.02982 -0.03854 144 12 H 1S -0.03871 0.01928 0.00031 -0.04209 -0.02414 145 2S -0.03686 0.01609 -0.00063 -0.06363 -0.03554 146 13 H 1S 0.00778 -0.01647 0.00864 0.01773 0.00996 147 2S 0.00687 -0.01560 0.00373 0.03217 0.01378 148 14 C 1S -0.00106 -0.00012 -0.00072 -0.00097 -0.00169 149 2S 0.00181 0.00143 0.00143 0.00230 0.00377 150 2PX 0.00586 -0.01535 0.00454 0.01238 0.00591 151 2PY 0.00038 -0.01095 -0.00215 0.00479 -0.00051 152 2PZ 0.00155 0.00986 -0.00392 -0.01636 -0.00630 153 3S 0.00772 0.01408 0.01404 -0.01828 0.00999 154 3PX 0.00412 -0.01530 0.00843 0.00392 0.00036 155 3PY 0.00108 -0.00622 0.00434 0.01230 0.00437 156 3PZ 0.00134 0.01080 -0.00062 -0.02161 -0.00178 157 4XX 0.00007 0.00037 -0.00012 -0.00044 0.00046 158 4YY -0.00052 0.00003 -0.00024 -0.00047 -0.00088 159 4ZZ 0.00051 -0.00039 0.00039 0.00048 0.00023 160 4XY 0.00036 0.00007 0.00029 0.00028 0.00102 161 4XZ 0.00044 -0.00049 0.00048 0.00016 0.00020 162 4YZ 0.00018 -0.00004 -0.00002 0.00007 0.00056 163 15 H 1S -0.00296 0.00120 -0.00314 -0.00379 -0.00451 164 2S -0.00624 -0.00504 -0.00388 -0.00461 -0.01282 165 16 H 1S 0.00032 0.00186 0.00243 0.00310 0.00441 166 2S 0.00164 -0.00525 0.00393 0.00168 0.00261 167 17 C 1S -0.00156 0.00303 -0.00053 -0.00492 0.00594 168 2S 0.00244 -0.01002 0.00577 0.00839 -0.01665 169 2PX -0.01057 0.05005 -0.01640 -0.03933 0.00037 170 2PY -0.00715 0.03374 -0.00920 -0.03707 0.01316 171 2PZ 0.01812 -0.06489 0.01718 0.05608 0.00190 172 3S -0.00580 0.00223 -0.00890 0.03054 0.01441 173 3PX -0.01043 0.04860 -0.02068 -0.03410 0.00423 174 3PY 0.00060 0.01705 -0.00198 -0.02482 -0.00259 175 3PZ 0.00750 -0.06589 0.02335 0.03453 -0.01888 176 4XX -0.00082 0.00026 0.00081 -0.00121 -0.00075 177 4YY 0.00108 -0.00049 0.00050 0.00017 0.00012 178 4ZZ -0.00020 -0.00021 0.00064 -0.00102 -0.00073 179 4XY 0.00131 -0.00312 0.00068 0.00274 -0.00013 180 4XZ 0.00032 0.00003 -0.00001 -0.00029 -0.00018 181 4YZ -0.00093 -0.00063 0.00038 0.00019 -0.00124 182 18 H 1S 0.00265 -0.00784 0.00244 0.00355 -0.00319 183 2S 0.00341 -0.00592 -0.00018 0.00518 0.00344 184 19 H 1S -0.00187 0.00960 -0.00114 -0.01063 0.00115 185 2S -0.00371 0.02015 -0.00681 -0.02076 0.00544 11 12 13 14 15 11 4PX 0.08712 12 4PY -0.00790 0.07536 13 4PZ 0.00087 0.00327 0.05608 14 5XX -0.00299 0.01139 -0.00003 0.01064 15 5YY -0.00050 -0.00414 0.01327 -0.00888 0.02548 16 5ZZ -0.00459 0.00053 -0.01686 0.00218 -0.01446 17 5XY 0.01393 0.01946 -0.00227 0.00346 0.00322 18 5XZ 0.00122 -0.00270 0.00438 0.00037 0.00417 19 5YZ 0.00622 0.01149 0.01612 0.00501 0.00098 20 2 O 1S -0.00120 0.01042 -0.00357 0.00906 -0.01721 21 2S 0.00443 -0.02486 0.00858 -0.02005 0.03687 22 2PX 0.12334 0.12481 -0.03664 0.01535 -0.01043 23 2PY 0.03034 0.00283 0.08842 0.03585 -0.01932 24 2PZ 0.01922 0.07203 0.12774 -0.01801 0.09046 25 3S 0.00233 -0.05978 0.02023 -0.01619 0.04426 26 3PX 0.07307 0.09651 -0.02784 0.01239 -0.00742 27 3PY 0.02461 0.00399 0.05815 0.01810 -0.00737 28 3PZ 0.01545 0.04498 0.08948 -0.01071 0.06461 29 4XX -0.00102 0.00150 -0.00055 0.00107 -0.00199 30 4YY -0.00161 0.00009 -0.00857 -0.00191 -0.00113 31 4ZZ 0.00052 0.00594 0.00661 0.00013 0.00226 32 4XY -0.00947 -0.00564 0.00168 -0.00073 0.00070 33 4XZ 0.00447 0.00310 -0.00097 0.00042 -0.00058 34 4YZ -0.00045 -0.00388 -0.00662 0.00165 -0.00530 35 3 O 1S -0.01067 -0.01329 0.00034 0.00099 -0.00344 36 2S 0.02785 0.02615 0.00147 -0.00086 0.00647 37 2PX -0.02411 -0.02666 -0.01910 -0.02302 0.03633 38 2PY 0.00446 0.12346 -0.01092 0.04753 -0.04907 39 2PZ -0.02185 -0.03251 0.03159 0.01935 0.03843 40 3S 0.04345 0.08454 0.00946 -0.00463 0.02772 41 3PX -0.01293 -0.01192 -0.00533 -0.01714 0.03097 42 3PY 0.01013 0.09178 -0.00482 0.03309 -0.03270 43 3PZ -0.01186 -0.01206 0.02224 0.01286 0.03300 44 4XX 0.00303 -0.00467 -0.00038 -0.00058 -0.00118 45 4YY -0.00293 0.00127 -0.00234 0.00075 -0.00266 46 4ZZ -0.00253 -0.00383 0.00161 0.00092 0.00107 47 4XY 0.00036 -0.00114 -0.00114 -0.00080 0.00087 48 4XZ -0.00048 -0.00146 0.00010 -0.00108 0.00118 49 4YZ -0.00144 0.00515 0.00065 0.00232 -0.00100 50 4 C 1S -0.00321 -0.00548 0.00178 0.00043 0.00095 51 2S 0.00516 0.01325 -0.00430 0.00005 -0.00415 52 2PX 0.01343 -0.03644 -0.00805 -0.00707 0.01157 53 2PY 0.00444 0.02681 -0.00430 0.00028 -0.00581 54 2PZ -0.00935 -0.00667 0.01175 -0.00068 0.00491 55 3S 0.01203 0.01082 -0.00223 -0.00572 -0.00141 56 3PX 0.01117 -0.03189 -0.00482 -0.00734 0.01359 57 3PY 0.00234 0.00974 -0.00354 -0.00237 -0.00349 58 3PZ -0.00663 -0.00743 0.00559 -0.00068 0.00648 59 4XX -0.00049 -0.00108 -0.00031 -0.00016 0.00025 60 4YY 0.00048 -0.00050 0.00035 0.00010 0.00004 61 4ZZ -0.00025 0.00145 0.00004 0.00048 -0.00054 62 4XY 0.00007 -0.00055 -0.00027 0.00013 0.00015 63 4XZ -0.00027 0.00059 -0.00077 -0.00025 -0.00017 64 4YZ -0.00041 0.00035 0.00026 0.00005 0.00014 65 5 C 1S -0.00339 0.00384 0.00091 -0.00201 -0.00011 66 2S 0.00989 -0.01184 -0.00173 0.00080 -0.00006 67 2PX 0.02520 -0.00594 0.01426 0.01060 -0.00619 68 2PY 0.01694 -0.02424 0.01237 -0.00139 0.00470 69 2PZ 0.00810 0.01865 -0.00705 -0.00272 -0.00069 70 3S 0.00223 -0.00746 -0.00123 0.00561 -0.00448 71 3PX 0.00552 -0.00965 0.00449 0.00178 -0.00218 72 3PY 0.00664 0.00267 0.00725 0.00453 -0.00378 73 3PZ -0.00309 0.01265 -0.00427 0.00439 0.00059 74 4XX 0.00024 -0.00221 0.00221 0.00025 0.00143 75 4YY -0.00057 -0.00034 -0.00050 -0.00008 0.00006 76 4ZZ 0.00006 0.00227 -0.00083 -0.00030 -0.00135 77 4XY -0.00048 0.00552 0.00040 0.00235 -0.00201 78 4XZ -0.00199 -0.00125 -0.00134 0.00005 0.00113 79 4YZ -0.00141 -0.00231 -0.00009 -0.00066 0.00121 80 6 C 1S -0.00516 0.00694 -0.00132 0.00218 -0.00251 81 2S 0.00673 -0.01461 0.00282 -0.00553 0.00690 82 2PX 0.00396 -0.01574 -0.00173 -0.00647 0.00768 83 2PY -0.00527 0.02917 0.00075 0.00709 -0.00844 84 2PZ 0.00418 0.00785 0.00590 -0.00150 -0.00146 85 3S 0.00980 -0.02687 -0.00242 -0.01564 0.00547 86 3PX 0.01002 0.00044 -0.00762 -0.00224 0.00218 87 3PY 0.00044 0.02237 -0.00218 0.00741 -0.01232 88 3PZ 0.00756 0.01154 -0.00162 0.00106 -0.00500 89 4XX 0.00183 0.00021 -0.00114 0.00095 -0.00043 90 4YY -0.00041 -0.00028 -0.00043 -0.00063 0.00053 91 4ZZ -0.00111 0.00030 0.00136 -0.00003 0.00009 92 4XY 0.00020 0.00120 -0.00095 0.00030 -0.00027 93 4XZ 0.00057 -0.00004 -0.00054 -0.00002 0.00018 94 4YZ -0.00018 -0.00084 0.00034 -0.00011 0.00019 95 7 C 1S -0.01099 0.00610 0.00236 -0.00194 -0.00039 96 2S 0.01934 -0.00640 -0.00728 0.00407 -0.00014 97 2PX 0.03796 -0.00847 -0.04184 0.01223 -0.00300 98 2PY -0.00883 0.00208 -0.00192 -0.00364 -0.00055 99 2PZ -0.00821 -0.01649 0.02339 -0.00109 0.00243 100 3S 0.00202 -0.02914 -0.00078 0.00000 -0.00124 101 3PX 0.02033 -0.01294 -0.02273 0.00293 -0.00789 102 3PY 0.00404 0.00999 -0.01469 0.00207 -0.00105 103 3PZ -0.00404 -0.00128 0.00963 -0.00090 -0.00877 104 4XX -0.00180 0.00220 -0.00072 0.00057 -0.00114 105 4YY 0.00162 -0.00077 -0.00046 -0.00030 0.00037 106 4ZZ 0.00019 -0.00006 0.00061 -0.00046 0.00055 107 4XY 0.00113 -0.00040 0.00066 -0.00059 0.00077 108 4XZ 0.00303 -0.00053 -0.00125 -0.00006 0.00008 109 4YZ -0.00245 0.00050 0.00104 -0.00023 -0.00022 110 8 C 1S -0.00456 -0.00483 0.01384 -0.00220 0.00686 111 2S 0.00146 0.00646 -0.02314 0.00471 -0.01216 112 2PX -0.05282 0.03653 0.00442 -0.00475 -0.02160 113 2PY 0.01627 0.00713 -0.00890 0.00191 -0.00181 114 2PZ 0.04374 -0.03102 0.00835 -0.02107 0.02908 115 3S -0.01157 0.04952 -0.06529 0.01303 -0.02616 116 3PX -0.02999 0.01717 -0.01076 -0.00568 -0.01969 117 3PY 0.00934 -0.01069 0.01679 -0.00626 0.01820 118 3PZ 0.02174 -0.04009 0.01580 -0.01276 0.01083 119 4XX 0.00088 -0.00075 0.00270 -0.00020 -0.00060 120 4YY 0.00132 -0.00159 -0.00088 -0.00064 0.00097 121 4ZZ -0.00310 0.00216 -0.00008 0.00056 -0.00070 122 4XY -0.00034 0.00187 0.00051 -0.00064 0.00069 123 4XZ 0.00370 -0.00102 -0.00297 -0.00028 0.00129 124 4YZ -0.00035 0.00009 -0.00008 -0.00015 -0.00083 125 9 C 1S -0.00429 -0.00096 0.00218 0.00083 -0.00263 126 2S 0.00344 -0.00023 -0.00417 -0.00246 0.00456 127 2PX -0.00176 -0.02199 -0.01637 -0.00550 0.00211 128 2PY 0.01159 -0.00479 0.00025 -0.00104 0.00597 129 2PZ -0.00719 0.01237 0.01015 0.00536 -0.00354 130 3S 0.00649 -0.00134 0.01703 -0.00337 0.01496 131 3PX 0.00565 -0.01457 -0.01140 -0.00410 0.00620 132 3PY 0.00759 -0.00706 0.01326 -0.00413 0.01385 133 3PZ -0.00634 0.00986 -0.00053 0.00335 -0.00319 134 4XX -0.00121 0.00111 0.00058 0.00017 -0.00075 135 4YY 0.00118 -0.00197 -0.00026 -0.00043 0.00095 136 4ZZ -0.00071 0.00103 -0.00036 0.00047 -0.00064 137 4XY -0.00114 0.00096 0.00001 -0.00008 -0.00025 138 4XZ 0.00070 0.00136 -0.00010 -0.00008 0.00010 139 4YZ 0.00121 -0.00111 0.00020 -0.00066 0.00078 140 10 H 1S -0.00173 -0.00787 0.00363 0.00059 0.00146 141 2S -0.00001 -0.01501 0.00296 -0.00122 0.00439 142 11 H 1S -0.01561 0.00270 -0.00573 0.00154 0.00117 143 2S -0.01737 0.01453 -0.00464 0.00486 0.00156 144 12 H 1S 0.00971 0.00437 -0.01016 -0.00745 0.00139 145 2S 0.01105 0.00905 -0.00598 -0.00438 0.00603 146 13 H 1S -0.00598 0.00870 0.00048 0.00306 -0.00347 147 2S -0.00514 0.00905 0.00130 0.00336 -0.00545 148 14 C 1S -0.00086 -0.00109 0.00042 -0.00119 0.00089 149 2S 0.00199 0.00203 -0.00072 0.00232 -0.00177 150 2PX -0.00811 0.00633 0.00281 0.00182 -0.00125 151 2PY -0.00908 -0.00147 0.00126 -0.00235 0.00239 152 2PZ 0.01432 -0.00183 -0.00613 0.00407 -0.00326 153 3S 0.01143 0.01205 -0.00727 0.00641 -0.00459 154 3PX -0.00677 0.00791 0.00101 0.00141 -0.00062 155 3PY -0.00905 -0.00279 0.00452 -0.00361 0.00347 156 3PZ 0.01199 -0.00007 -0.00573 0.00338 -0.00195 157 4XX -0.00022 -0.00031 0.00003 -0.00014 0.00022 158 4YY 0.00006 -0.00051 -0.00018 -0.00020 0.00028 159 4ZZ -0.00005 0.00052 0.00039 0.00004 -0.00017 160 4XY -0.00005 0.00111 0.00015 0.00021 -0.00029 161 4XZ 0.00002 0.00066 0.00020 0.00012 -0.00022 162 4YZ -0.00025 0.00035 0.00014 0.00003 -0.00004 163 15 H 1S 0.00026 -0.00565 -0.00174 -0.00124 0.00190 164 2S -0.00187 -0.00855 -0.00180 -0.00225 0.00319 165 16 H 1S -0.00035 0.00421 0.00179 0.00032 -0.00091 166 2S -0.00321 0.00667 0.00307 -0.00014 -0.00043 167 17 C 1S 0.00018 0.00178 -0.00099 0.00066 0.00016 168 2S -0.00126 -0.00041 -0.00059 -0.00089 -0.00084 169 2PX 0.02530 -0.00567 -0.01679 0.00172 0.00162 170 2PY 0.01978 0.00304 -0.01547 0.00397 -0.00021 171 2PZ -0.03762 0.00401 0.02601 -0.00353 -0.00237 172 3S -0.00640 -0.00836 0.01238 -0.00328 0.00118 173 3PX 0.02395 -0.00766 -0.00784 0.00139 0.00569 174 3PY 0.01371 0.00201 -0.01160 0.00306 -0.00020 175 3PZ -0.02954 0.00617 0.01551 -0.00127 -0.00026 176 4XX 0.00075 0.00054 -0.00098 0.00028 -0.00008 177 4YY -0.00041 0.00010 0.00056 -0.00001 -0.00007 178 4ZZ 0.00019 0.00071 -0.00071 0.00010 -0.00014 179 4XY -0.00189 0.00056 0.00146 -0.00035 -0.00009 180 4XZ -0.00001 0.00012 0.00007 -0.00005 -0.00006 181 4YZ 0.00011 0.00071 -0.00070 0.00001 -0.00023 182 18 H 1S -0.00334 0.00283 0.00087 -0.00044 -0.00105 183 2S -0.00416 0.00553 0.00156 -0.00080 -0.00233 184 19 H 1S 0.00741 -0.00065 -0.00505 0.00141 0.00024 185 2S 0.01093 -0.00407 -0.00479 0.00175 0.00240 16 17 18 19 20 16 5ZZ 0.01554 17 5XY -0.00325 0.02387 18 5XZ -0.00580 -0.00314 0.01511 19 5YZ -0.00489 0.00536 0.00613 0.01903 20 2 O 1S 0.00424 -0.00190 0.00077 0.01294 2.08025 21 2S -0.00845 0.00413 -0.00247 -0.03000 -0.18712 22 2PX 0.00886 0.11346 -0.04793 0.01056 -0.00216 23 2PY -0.00772 0.00038 0.01971 0.07118 -0.03531 24 2PZ -0.07953 0.01536 0.03128 0.05222 0.01576 25 3S -0.01158 0.01068 -0.00212 -0.02009 -0.25802 26 3PX 0.00735 0.08346 -0.03709 0.00667 -0.00152 27 3PY -0.00895 -0.00352 0.01545 0.04200 -0.02494 28 3PZ -0.05703 0.01323 0.02447 0.04137 0.01019 29 4XX 0.00088 -0.00087 0.00017 0.00054 -0.01143 30 4YY 0.00222 0.00004 -0.00146 -0.00589 -0.01473 31 4ZZ -0.00259 0.00057 0.00088 0.00338 -0.01266 32 4XY -0.00037 -0.00606 0.00262 -0.00083 -0.00062 33 4XZ 0.00036 0.00297 -0.00102 0.00032 0.00003 34 4YZ 0.00421 -0.00094 -0.00093 -0.00155 0.00134 35 3 O 1S -0.00065 -0.01012 -0.00614 -0.01143 0.00085 36 2S 0.00400 0.01857 0.01379 0.02451 -0.00049 37 2PX -0.00396 0.03227 0.00902 0.03967 -0.00472 38 2PY 0.00495 0.02590 0.05357 0.03332 0.01229 39 2PZ -0.05303 0.05696 0.00598 0.00346 -0.00907 40 3S -0.00281 0.04979 0.01163 0.04287 -0.01160 41 3PX -0.00690 0.02363 0.00246 0.02559 -0.00509 42 3PY 0.00184 0.01877 0.03730 0.02231 0.00672 43 3PZ -0.04021 0.04831 0.00306 0.00417 -0.00940 44 4XX 0.00072 -0.00290 0.00063 -0.00091 0.00063 45 4YY 0.00158 -0.00222 0.00155 -0.00043 0.00111 46 4ZZ -0.00197 0.00178 -0.00068 -0.00047 -0.00047 47 4XY 0.00000 0.00084 0.00045 0.00058 -0.00013 48 4XZ -0.00002 0.00096 0.00047 0.00194 -0.00047 49 4YZ -0.00084 0.00276 0.00180 0.00159 0.00025 50 4 C 1S -0.00164 0.00144 -0.00184 -0.00132 -0.00062 51 2S 0.00375 -0.00371 0.00451 0.00301 0.00179 52 2PX -0.00833 -0.00188 0.00809 -0.00315 -0.00100 53 2PY 0.00592 -0.00277 0.00157 0.00542 0.00207 54 2PZ -0.00351 0.00507 -0.00486 -0.00110 -0.00157 55 3S 0.00600 -0.01024 0.00854 0.00435 0.00352 56 3PX -0.00867 -0.00055 0.00690 -0.00135 -0.00075 57 3PY 0.00643 -0.00298 -0.00127 -0.00027 0.00094 58 3PZ -0.00499 0.00258 -0.00350 -0.00160 0.00032 59 4XX -0.00003 0.00028 -0.00020 -0.00017 -0.00012 60 4YY -0.00014 -0.00011 0.00008 -0.00061 -0.00001 61 4ZZ 0.00002 -0.00030 0.00010 0.00026 0.00015 62 4XY -0.00026 0.00045 -0.00011 -0.00048 -0.00011 63 4XZ 0.00052 -0.00005 0.00019 0.00046 0.00006 64 4YZ -0.00021 0.00019 0.00013 0.00017 0.00010 65 5 C 1S 0.00067 0.00120 0.00085 0.00297 -0.00017 66 2S -0.00250 -0.00537 -0.00006 -0.00705 -0.00034 67 2PX -0.01009 -0.00858 -0.00123 -0.02019 0.00092 68 2PY -0.00392 -0.00030 -0.00129 -0.00779 -0.00211 69 2PZ 0.00611 0.00059 0.00252 0.00805 0.00048 70 3S -0.00358 0.00138 -0.00297 -0.00390 0.00612 71 3PX -0.00321 -0.00730 -0.00307 -0.00931 0.00188 72 3PY -0.00080 0.00545 -0.00073 -0.00102 0.00058 73 3PZ -0.00185 0.00818 -0.00168 0.00291 0.00133 74 4XX -0.00155 0.00086 -0.00079 -0.00110 -0.00054 75 4YY 0.00007 0.00017 0.00083 0.00075 0.00014 76 4ZZ 0.00152 -0.00145 0.00024 0.00044 0.00032 77 4XY -0.00015 0.00113 0.00103 0.00058 0.00033 78 4XZ -0.00101 0.00172 0.00076 0.00114 -0.00015 79 4YZ -0.00038 0.00063 -0.00081 -0.00013 -0.00030 80 6 C 1S -0.00029 0.00052 -0.00035 0.00010 0.00071 81 2S -0.00088 0.00081 -0.00028 -0.00003 -0.00032 82 2PX -0.00121 -0.00049 0.00065 0.00085 -0.00020 83 2PY 0.00031 0.00155 0.00467 0.00211 0.00286 84 2PZ 0.00335 0.00111 0.00284 -0.00095 -0.00059 85 3S 0.00919 -0.00601 -0.00235 -0.00746 -0.00785 86 3PX -0.00034 -0.00138 0.00297 0.00052 -0.00393 87 3PY 0.00480 0.00595 0.00294 0.00073 0.00172 88 3PZ 0.00443 0.00292 -0.00050 -0.00241 -0.00174 89 4XX -0.00046 0.00027 -0.00033 -0.00040 0.00020 90 4YY 0.00030 0.00037 -0.00037 0.00022 0.00006 91 4ZZ -0.00010 0.00022 0.00001 0.00011 -0.00006 92 4XY 0.00007 0.00023 0.00006 0.00035 0.00020 93 4XZ -0.00007 0.00014 -0.00039 0.00020 -0.00011 94 4YZ -0.00012 0.00023 0.00017 -0.00030 -0.00014 95 7 C 1S 0.00125 0.00138 -0.00021 -0.00095 -0.00030 96 2S -0.00278 0.00085 -0.00133 0.00221 0.00209 97 2PX -0.00797 -0.00773 -0.00766 0.00632 0.00338 98 2PY 0.00520 0.00436 -0.00229 -0.00436 0.00161 99 2PZ -0.00324 -0.00245 0.00380 -0.00013 -0.00310 100 3S -0.00246 -0.01529 0.00518 -0.00148 -0.00181 101 3PX 0.00303 -0.01067 0.00175 -0.00140 0.00066 102 3PY 0.00152 0.01203 -0.00941 -0.00598 -0.00648 103 3PZ 0.00856 0.00100 -0.00260 -0.00497 -0.00399 104 4XX 0.00093 -0.00005 -0.00117 0.00012 0.00000 105 4YY -0.00002 0.00075 -0.00043 -0.00042 0.00000 106 4ZZ -0.00025 0.00024 0.00078 0.00028 0.00018 107 4XY -0.00043 -0.00025 0.00108 0.00026 0.00004 108 4XZ -0.00011 -0.00001 0.00037 0.00036 0.00035 109 4YZ 0.00066 0.00059 -0.00050 -0.00027 -0.00003 110 8 C 1S -0.00718 -0.00155 0.01145 0.00098 -0.00022 111 2S 0.01396 -0.00082 -0.01961 -0.00067 0.00129 112 2PX 0.03300 0.00668 -0.02744 -0.00369 0.00104 113 2PY -0.00031 -0.01032 0.00613 0.01767 0.00374 114 2PZ -0.01445 -0.00212 0.04249 0.00429 -0.00323 115 3S 0.03192 0.03423 -0.05769 -0.01770 -0.00280 116 3PX 0.02990 -0.00161 -0.02168 -0.00739 -0.00155 117 3PY -0.01507 -0.01507 0.01501 0.01964 0.00595 118 3PZ -0.00738 -0.02042 0.03361 0.00472 0.00206 119 4XX 0.00020 -0.00114 -0.00008 0.00057 0.00010 120 4YY -0.00043 0.00010 0.00112 -0.00045 -0.00044 121 4ZZ 0.00041 0.00006 -0.00048 0.00031 0.00021 122 4XY 0.00002 -0.00013 0.00070 0.00014 0.00009 123 4XZ -0.00078 0.00020 0.00163 0.00053 -0.00014 124 4YZ 0.00115 0.00084 -0.00027 0.00017 -0.00018 125 9 C 1S 0.00084 -0.00110 -0.00116 0.00173 0.00059 126 2S -0.00185 0.00128 0.00299 -0.00479 0.00004 127 2PX 0.00473 0.00393 -0.00422 -0.00800 -0.00278 128 2PY -0.00473 0.00336 0.00320 -0.00887 -0.00150 129 2PZ -0.00167 -0.00357 0.00063 0.00490 0.00175 130 3S -0.01393 -0.00059 0.01280 0.00953 -0.00163 131 3PX -0.00135 0.00298 0.00163 -0.00200 -0.00020 132 3PY -0.01153 -0.00348 0.00860 0.00292 0.00049 133 3PZ 0.00058 -0.00265 -0.00167 -0.00218 0.00432 134 4XX 0.00065 -0.00033 -0.00043 0.00017 0.00035 135 4YY -0.00062 -0.00039 0.00067 -0.00012 0.00014 136 4ZZ 0.00020 -0.00039 -0.00004 0.00035 0.00040 137 4XY 0.00064 0.00060 -0.00080 -0.00016 -0.00010 138 4XZ -0.00005 -0.00039 0.00060 0.00034 0.00008 139 4YZ -0.00043 -0.00015 0.00122 0.00028 -0.00004 140 10 H 1S -0.00167 0.00166 -0.00154 -0.00355 -0.00095 141 2S -0.00278 0.00285 -0.00310 -0.00639 -0.00185 142 11 H 1S -0.00175 0.00569 0.00122 0.00453 0.00001 143 2S -0.00333 0.01377 0.00074 0.00689 -0.00033 144 12 H 1S 0.00830 0.00023 0.00567 0.00608 0.00002 145 2S 0.00010 0.00824 0.00891 0.00480 -0.00318 146 13 H 1S 0.00116 -0.00153 -0.00168 0.00211 0.00096 147 2S 0.00286 -0.00179 -0.00352 0.00358 -0.00045 148 14 C 1S 0.00011 0.00021 0.00033 0.00026 -0.00019 149 2S -0.00055 -0.00042 -0.00067 -0.00059 0.00026 150 2PX -0.00049 0.00040 -0.00180 0.00193 0.00005 151 2PY 0.00035 0.00097 -0.00129 0.00251 -0.00055 152 2PZ -0.00130 -0.00056 0.00092 -0.00262 0.00054 153 3S -0.00212 -0.00147 0.00117 0.00006 0.00026 154 3PX -0.00033 0.00132 -0.00117 0.00205 -0.00027 155 3PY 0.00007 -0.00226 -0.00057 0.00208 0.00008 156 3PZ -0.00201 -0.00145 0.00261 -0.00161 0.00032 157 4XX -0.00012 -0.00009 0.00007 0.00013 0.00002 158 4YY -0.00003 0.00010 -0.00007 0.00006 -0.00009 159 4ZZ 0.00011 -0.00003 0.00019 -0.00007 -0.00005 160 4XY 0.00003 -0.00002 0.00018 0.00004 0.00010 161 4XZ 0.00009 -0.00006 0.00018 -0.00003 0.00003 162 4YZ -0.00001 0.00004 0.00008 0.00003 0.00003 163 15 H 1S -0.00040 0.00019 -0.00082 0.00030 -0.00039 164 2S -0.00023 0.00191 -0.00196 0.00000 -0.00132 165 16 H 1S 0.00059 -0.00011 0.00106 -0.00033 0.00031 166 2S 0.00062 0.00015 0.00212 0.00040 0.00024 167 17 C 1S -0.00081 -0.00092 0.00060 0.00120 0.00009 168 2S 0.00240 0.00391 -0.00293 -0.00345 0.00140 169 2PX -0.00416 -0.00048 0.00213 -0.00007 0.00348 170 2PY -0.00520 -0.00462 0.00209 0.00443 0.00114 171 2PZ 0.00662 0.00240 -0.00236 -0.00371 -0.00329 172 3S 0.00159 -0.00544 0.00410 0.00069 0.00206 173 3PX -0.00812 -0.00099 0.00457 0.00367 -0.00019 174 3PY -0.00337 0.00048 -0.00121 0.00032 -0.00045 175 3PZ 0.00327 0.00531 -0.00416 -0.00266 -0.00141 176 4XX -0.00015 -0.00002 -0.00023 0.00025 0.00040 177 4YY 0.00008 0.00009 0.00013 -0.00010 0.00033 178 4ZZ 0.00007 0.00020 -0.00015 -0.00002 0.00047 179 4XY 0.00042 0.00032 0.00008 -0.00038 -0.00017 180 4XZ 0.00008 0.00015 0.00002 -0.00006 0.00006 181 4YZ 0.00032 0.00023 -0.00019 -0.00017 0.00006 182 18 H 1S 0.00143 0.00146 -0.00044 -0.00175 0.00073 183 2S 0.00295 0.00046 0.00087 -0.00083 0.00055 184 19 H 1S -0.00193 -0.00156 -0.00013 0.00211 0.00007 185 2S -0.00472 -0.00209 0.00144 0.00412 -0.00016 21 22 23 24 25 21 2S 0.52271 22 2PX 0.01059 0.73973 23 2PY 0.06485 -0.03736 0.56670 24 2PZ -0.03391 -0.00735 0.04573 0.66489 25 3S 0.61223 -0.00925 0.22020 -0.08879 0.80457 26 3PX 0.00724 0.53411 -0.03809 -0.00819 -0.00759 27 3PY 0.04741 -0.03565 0.32080 0.06780 0.12212 28 3PZ -0.02331 -0.00654 0.06680 0.46030 -0.04245 29 4XX -0.01005 -0.00254 0.00155 -0.00294 -0.01224 30 4YY -0.00220 0.00512 -0.04236 -0.01496 -0.01491 31 4ZZ -0.00744 0.00269 0.00711 0.02887 -0.01118 32 4XY 0.00132 -0.04183 -0.00040 0.00027 0.00202 33 4XZ 0.00005 0.02032 0.00016 -0.00084 -0.00063 34 4YZ -0.00301 -0.00096 0.00522 -0.03530 0.00185 35 3 O 1S -0.00121 -0.02146 -0.00935 -0.01920 -0.00980 36 2S -0.00320 0.03096 0.02267 0.03164 0.02237 37 2PX 0.00421 0.03970 0.01587 0.06548 0.06489 38 2PY -0.01997 0.08467 0.12316 0.05512 -0.10169 39 2PZ 0.01132 0.06428 -0.00890 0.04456 0.10120 40 3S 0.02887 0.18886 0.03142 0.15287 0.05752 41 3PX 0.00813 0.04848 0.00724 0.07804 0.04846 42 3PY -0.00730 0.07319 0.08718 0.05284 -0.06797 43 3PZ 0.01528 0.08719 -0.01346 0.05528 0.07943 44 4XX -0.00213 -0.01072 0.00064 -0.00613 -0.00286 45 4YY -0.00258 -0.01007 -0.00189 -0.00574 -0.00769 46 4ZZ 0.00001 -0.00085 0.00017 -0.00357 0.00520 47 4XY 0.00016 0.00032 -0.00357 -0.00017 0.00080 48 4XZ 0.00074 0.00052 0.00248 0.00340 0.00280 49 4YZ -0.00029 0.00607 0.00266 0.00381 -0.00187 50 4 C 1S 0.00096 0.00240 -0.00272 -0.00056 0.00656 51 2S -0.00286 -0.00462 0.00650 0.00076 -0.01769 52 2PX -0.00103 -0.03180 -0.00137 0.04940 0.01710 53 2PY -0.00290 0.00487 0.00501 -0.01586 -0.02204 54 2PZ 0.00220 0.01328 -0.01345 -0.01676 0.01858 55 3S -0.00518 -0.03256 -0.00339 0.01189 -0.02754 56 3PX -0.00089 -0.02856 -0.00784 0.04548 0.01645 57 3PY -0.00037 -0.00103 -0.01365 -0.02656 -0.01074 58 3PZ -0.00169 -0.00313 -0.01759 -0.00601 0.01046 59 4XX 0.00027 0.00037 -0.00046 0.00085 0.00129 60 4YY 0.00007 -0.00157 -0.00101 0.00069 0.00022 61 4ZZ -0.00017 0.00041 0.00064 -0.00153 -0.00174 62 4XY 0.00017 0.00079 -0.00060 0.00060 0.00098 63 4XZ -0.00007 0.00079 0.00071 0.00117 -0.00067 64 4YZ -0.00024 0.00012 0.00029 0.00051 -0.00021 65 5 C 1S 0.00068 0.00270 0.00238 0.00344 0.00019 66 2S 0.00003 -0.01769 -0.00786 -0.00889 0.00094 67 2PX -0.00199 -0.03264 -0.02047 -0.03075 -0.00972 68 2PY 0.00244 -0.01294 -0.01351 -0.00117 0.02429 69 2PZ 0.00021 0.00588 0.00387 0.00364 -0.01020 70 3S -0.01536 0.01987 0.01239 -0.00439 -0.01488 71 3PX -0.00384 -0.02403 -0.01301 -0.01694 -0.00842 72 3PY -0.00221 0.02804 0.01630 0.00459 0.00296 73 3PZ -0.00306 0.02790 0.00155 0.00085 0.00106 74 4XX 0.00086 -0.00100 -0.00304 -0.00049 0.00473 75 4YY -0.00042 -0.00040 0.00173 0.00227 -0.00049 76 4ZZ -0.00043 -0.00199 0.00149 -0.00166 -0.00388 77 4XY -0.00043 0.00495 0.00395 0.00013 -0.00343 78 4XZ 0.00008 0.00233 0.00163 0.00345 0.00212 79 4YZ 0.00046 0.00069 -0.00201 -0.00040 0.00317 80 6 C 1S 0.00022 0.00374 0.00285 -0.00225 -0.00983 81 2S -0.00194 -0.00153 -0.00698 0.00942 0.01464 82 2PX 0.00005 -0.00094 -0.00424 0.01085 0.00800 83 2PY -0.00394 0.01963 0.01423 -0.00335 -0.02800 84 2PZ 0.00188 -0.00338 -0.00152 -0.00282 0.00058 85 3S 0.01721 -0.02389 -0.03341 -0.03512 0.03241 86 3PX 0.01122 0.00625 -0.01298 0.00380 0.00234 87 3PY -0.00240 0.04115 0.02063 -0.02054 -0.01652 88 3PZ 0.00450 0.02415 -0.01027 -0.01611 -0.00343 89 4XX -0.00067 0.00233 -0.00048 -0.00095 -0.00065 90 4YY -0.00034 0.00158 -0.00089 0.00045 0.00034 91 4ZZ 0.00008 0.00075 0.00075 0.00049 -0.00019 92 4XY -0.00040 0.00174 0.00054 0.00014 -0.00108 93 4XZ 0.00018 0.00217 -0.00009 -0.00052 0.00037 94 4YZ 0.00028 -0.00008 -0.00044 0.00027 0.00106 95 7 C 1S 0.00217 -0.00176 -0.00371 -0.00004 -0.00446 96 2S -0.00609 0.03009 0.00577 -0.00192 -0.00114 97 2PX -0.01000 0.02042 0.00965 -0.00814 -0.01262 98 2PY -0.00498 0.00708 -0.01694 -0.00855 -0.00003 99 2PZ 0.00788 -0.02682 0.01118 0.00726 0.01494 100 3S 0.00020 -0.07274 0.01580 -0.02153 0.00915 101 3PX -0.00437 -0.02529 0.00953 -0.03675 -0.00624 102 3PY 0.01448 0.06983 -0.03495 -0.02349 0.01279 103 3PZ 0.01050 0.01847 -0.00056 -0.04163 0.00756 104 4XX 0.00034 0.00247 -0.00049 -0.00299 -0.00096 105 4YY -0.00030 0.00329 -0.00076 0.00019 0.00113 106 4ZZ -0.00018 -0.00030 0.00037 0.00225 -0.00038 107 4XY -0.00015 -0.00294 0.00070 0.00305 0.00006 108 4XZ -0.00098 0.00193 0.00074 -0.00031 -0.00089 109 4YZ 0.00013 0.00220 -0.00140 -0.00189 0.00057 110 8 C 1S 0.00076 -0.02460 0.00789 0.02228 -0.00457 111 2S -0.00308 0.02415 -0.00246 -0.03728 0.00064 112 2PX 0.00102 0.05676 -0.02407 -0.08479 -0.00755 113 2PY -0.00775 0.00140 0.01358 -0.01644 -0.02507 114 2PZ 0.00466 -0.09251 0.00294 0.08827 0.01779 115 3S 0.01896 0.25931 -0.12381 -0.15584 0.00761 116 3PX 0.00618 0.03403 -0.02636 -0.10227 0.00083 117 3PY -0.01541 -0.08457 0.04058 0.09740 -0.01441 118 3PZ -0.01038 -0.15296 0.04219 0.04320 -0.00225 119 4XX -0.00033 -0.00213 0.00407 -0.00046 -0.00102 120 4YY 0.00059 -0.00232 0.00026 0.00285 0.00221 121 4ZZ -0.00035 -0.00038 -0.00158 -0.00190 -0.00170 122 4XY -0.00004 -0.00240 -0.00193 0.00344 -0.00145 123 4XZ 0.00003 0.00084 0.00033 0.00197 0.00139 124 4YZ 0.00042 0.00322 0.00064 -0.00585 0.00157 125 9 C 1S -0.00116 0.00164 0.00202 -0.01007 -0.00250 126 2S -0.00009 -0.00923 -0.01220 0.02009 0.00031 127 2PX 0.00488 0.01005 -0.01047 0.02101 0.02077 128 2PY 0.00294 -0.02522 -0.00798 0.03325 0.01002 129 2PZ -0.00226 0.00209 0.00750 -0.01948 -0.01656 130 3S -0.00138 -0.03706 0.05254 0.10161 0.01028 131 3PX -0.00117 0.00389 -0.00481 0.03633 0.01012 132 3PY -0.00309 -0.05249 0.01221 0.06638 0.00373 133 3PZ -0.00595 -0.00291 -0.02562 -0.02068 -0.02195 134 4XX -0.00049 -0.00021 -0.00006 -0.00326 -0.00139 135 4YY -0.00032 -0.00413 -0.00065 0.00424 0.00046 136 4ZZ -0.00073 -0.00014 0.00084 -0.00102 -0.00197 137 4XY 0.00015 0.00227 -0.00057 -0.00170 0.00084 138 4XZ -0.00005 -0.00028 -0.00047 0.00052 -0.00171 139 4YZ 0.00005 -0.00227 -0.00008 0.00256 0.00019 140 10 H 1S 0.00178 0.00050 -0.00541 0.00114 0.00873 141 2S 0.00323 -0.00075 -0.01556 -0.00055 0.01642 142 11 H 1S -0.00019 0.01830 0.01062 0.01043 0.00163 143 2S 0.00079 0.04735 0.01390 0.01737 0.00523 144 12 H 1S 0.00011 -0.00304 -0.00780 -0.01150 -0.00035 145 2S 0.00809 0.02410 -0.00992 0.00752 0.00881 146 13 H 1S -0.00111 0.01189 0.00283 -0.01287 -0.01026 147 2S 0.00151 0.01697 0.01251 -0.02016 -0.00563 148 14 C 1S 0.00055 -0.00055 -0.00033 0.00188 0.00126 149 2S -0.00080 0.00137 0.00095 -0.00347 -0.00218 150 2PX 0.00021 0.01039 0.00384 -0.00204 -0.00310 151 2PY 0.00198 0.00757 0.00245 0.00451 0.00239 152 2PZ -0.00327 -0.00587 -0.00104 -0.00353 0.00132 153 3S 0.00071 0.01134 -0.00429 -0.00123 -0.01470 154 3PX 0.00171 0.01489 -0.00069 0.00061 -0.00490 155 3PY 0.00023 -0.01126 0.00076 0.00746 0.00040 156 3PZ -0.00164 -0.01047 -0.00152 0.00238 -0.00174 157 4XX -0.00008 -0.00033 0.00007 0.00076 -0.00003 158 4YY 0.00019 0.00014 -0.00015 0.00049 0.00064 159 4ZZ 0.00023 -0.00056 0.00011 -0.00009 -0.00012 160 4XY -0.00012 0.00033 0.00041 -0.00020 -0.00110 161 4XZ 0.00000 -0.00046 0.00006 -0.00015 -0.00038 162 4YZ -0.00001 0.00026 0.00017 0.00009 -0.00044 163 15 H 1S 0.00055 -0.00041 -0.00090 0.00297 0.00456 164 2S 0.00244 0.00527 -0.00395 0.00212 0.01036 165 16 H 1S 0.00002 -0.00109 0.00043 -0.00119 -0.00427 166 2S 0.00044 -0.00294 0.00069 0.00220 -0.00503 167 17 C 1S 0.00063 -0.00208 0.00258 0.00246 -0.00355 168 2S -0.00408 0.01666 -0.01349 -0.00858 0.00047 169 2PX -0.01120 0.00518 0.00036 0.00746 -0.00665 170 2PY -0.00290 -0.00659 0.01088 0.00919 -0.01108 171 2PZ 0.01018 -0.00228 -0.00721 -0.01543 0.01015 172 3S -0.00619 -0.04567 0.02177 0.01432 0.00553 173 3PX -0.00268 -0.00799 0.01761 0.02883 0.00595 174 3PY 0.00047 0.01416 -0.00384 -0.00015 -0.00354 175 3PZ 0.00588 0.01577 -0.01631 -0.00732 0.00477 176 4XX -0.00069 0.00140 -0.00038 0.00033 -0.00138 177 4YY -0.00055 0.00027 -0.00080 -0.00009 -0.00089 178 4ZZ -0.00083 0.00173 -0.00117 -0.00035 -0.00160 179 4XY 0.00046 -0.00029 -0.00067 -0.00050 0.00043 180 4XZ -0.00016 0.00069 -0.00048 -0.00044 -0.00026 181 4YZ -0.00023 0.00164 -0.00058 -0.00098 -0.00029 182 18 H 1S -0.00188 0.00568 -0.00570 -0.00479 -0.00197 183 2S -0.00102 0.00150 -0.00092 -0.00739 -0.00392 184 19 H 1S -0.00002 -0.00157 0.00367 0.00360 -0.00191 185 2S 0.00034 -0.00419 0.00936 0.01253 0.00000 26 27 28 29 30 26 3PX 0.38967 27 3PY -0.03433 0.18871 28 3PZ -0.00741 0.06451 0.32386 29 4XX -0.00176 0.00082 -0.00223 0.00046 30 4YY 0.00446 -0.02394 -0.01348 0.00011 0.00381 31 4ZZ 0.00196 0.00591 0.01972 0.00023 -0.00081 32 4XY -0.02958 0.00039 0.00006 0.00013 -0.00006 33 4XZ 0.01437 -0.00016 -0.00060 -0.00005 0.00010 34 4YZ -0.00082 0.00047 -0.02361 0.00029 0.00014 35 3 O 1S -0.01439 -0.00281 -0.01593 0.00061 0.00094 36 2S 0.01839 0.00562 0.02751 -0.00165 -0.00262 37 2PX 0.03822 -0.00092 0.06767 -0.00412 -0.00355 38 2PY 0.06213 0.09387 0.03385 0.00594 0.00100 39 2PZ 0.05870 -0.02646 0.04967 -0.00438 -0.00234 40 3S 0.13517 0.01031 0.11433 -0.00365 -0.00572 41 3PX 0.04143 -0.00211 0.06825 -0.00317 -0.00334 42 3PY 0.05216 0.06780 0.03261 0.00406 0.00039 43 3PZ 0.07242 -0.02333 0.05228 -0.00364 -0.00175 44 4XX -0.00899 0.00097 -0.00445 0.00010 0.00006 45 4YY -0.00708 -0.00012 -0.00476 0.00035 0.00059 46 4ZZ 0.00019 -0.00130 -0.00167 -0.00017 -0.00010 47 4XY 0.00025 -0.00224 0.00017 -0.00015 0.00028 48 4XZ 0.00059 0.00140 0.00313 -0.00016 -0.00021 49 4YZ 0.00510 0.00180 0.00264 0.00010 0.00015 50 4 C 1S 0.00302 -0.00293 0.00040 -0.00025 -0.00006 51 2S -0.00563 0.00744 -0.00166 0.00063 0.00027 52 2PX -0.02642 0.00104 0.04091 -0.00164 -0.00207 53 2PY 0.00191 0.00570 -0.01502 0.00082 0.00086 54 2PZ 0.01269 -0.01387 -0.01097 -0.00082 0.00017 55 3S -0.02887 0.00436 0.00445 0.00073 0.00080 56 3PX -0.02347 -0.00366 0.03770 -0.00156 -0.00151 57 3PY -0.00187 -0.00788 -0.02168 0.00036 0.00175 58 3PZ -0.00018 -0.01435 -0.00311 -0.00065 0.00026 59 4XX 0.00047 -0.00045 0.00081 -0.00007 -0.00003 60 4YY -0.00132 -0.00060 0.00046 0.00000 0.00004 61 4ZZ 0.00032 0.00067 -0.00140 0.00009 0.00008 62 4XY 0.00058 -0.00054 0.00060 -0.00004 -0.00001 63 4XZ 0.00065 0.00063 0.00087 0.00001 -0.00003 64 4YZ 0.00015 0.00019 0.00042 0.00001 -0.00002 65 5 C 1S 0.00296 0.00142 0.00257 0.00009 -0.00002 66 2S -0.01598 -0.00382 -0.00672 -0.00019 0.00029 67 2PX -0.03079 -0.01162 -0.02848 0.00075 0.00145 68 2PY -0.01249 -0.01293 0.00035 -0.00100 -0.00079 69 2PZ 0.00294 0.00362 0.00129 0.00033 0.00019 70 3S 0.01465 0.00744 -0.00208 0.00041 -0.00079 71 3PX -0.01959 -0.00705 -0.01488 0.00041 0.00085 72 3PY 0.02004 0.00779 0.00348 0.00013 -0.00120 73 3PZ 0.02277 -0.00194 0.00207 0.00003 -0.00030 74 4XX -0.00064 -0.00294 -0.00017 -0.00022 -0.00006 75 4YY -0.00017 0.00129 0.00192 0.00004 -0.00008 76 4ZZ -0.00172 0.00168 -0.00177 0.00018 0.00010 77 4XY 0.00382 0.00281 -0.00038 0.00025 0.00007 78 4XZ 0.00232 0.00082 0.00347 -0.00011 -0.00012 79 4YZ 0.00097 -0.00185 0.00024 -0.00017 -0.00001 80 6 C 1S 0.00395 0.00358 -0.00270 0.00085 0.00075 81 2S -0.00239 -0.00727 0.00904 -0.00110 -0.00111 82 2PX -0.00120 -0.00295 0.01023 0.00004 -0.00064 83 2PY 0.01451 0.01283 -0.00672 0.00180 0.00077 84 2PZ -0.00277 -0.00140 -0.00341 -0.00011 0.00051 85 3S -0.02089 -0.02334 -0.02468 -0.00148 0.00138 86 3PX 0.00218 -0.00416 0.00191 -0.00001 0.00137 87 3PY 0.02996 0.01351 -0.01679 0.00138 0.00051 88 3PZ 0.01674 -0.00596 -0.01386 -0.00006 0.00170 89 4XX 0.00145 -0.00026 -0.00056 0.00002 0.00001 90 4YY 0.00128 -0.00075 0.00051 -0.00005 -0.00003 91 4ZZ 0.00081 0.00032 0.00015 0.00001 0.00002 92 4XY 0.00130 0.00053 0.00016 0.00006 0.00000 93 4XZ 0.00156 -0.00014 -0.00029 -0.00001 -0.00001 94 4YZ 0.00002 -0.00041 0.00028 -0.00005 0.00000 95 7 C 1S -0.00091 -0.00139 -0.00073 0.00030 0.00062 96 2S 0.02048 0.00290 0.00027 0.00005 -0.00071 97 2PX 0.00911 0.01170 0.00050 0.00075 -0.00130 98 2PY 0.00644 -0.01263 -0.00659 -0.00024 0.00013 99 2PZ -0.01775 0.00403 0.00381 -0.00101 0.00001 100 3S -0.05459 0.01067 -0.01322 0.00035 -0.00115 101 3PX -0.02398 0.00913 -0.02322 0.00091 -0.00034 102 3PY 0.05235 -0.02300 -0.01747 -0.00068 0.00283 103 3PZ 0.01461 -0.00366 -0.03322 -0.00019 0.00197 104 4XX 0.00239 -0.00046 -0.00254 0.00006 0.00019 105 4YY 0.00211 -0.00074 0.00048 -0.00009 -0.00009 106 4ZZ -0.00041 0.00039 0.00165 -0.00001 -0.00003 107 4XY -0.00261 0.00080 0.00231 -0.00004 -0.00017 108 4XZ 0.00077 0.00061 0.00009 0.00001 -0.00006 109 4YZ 0.00226 -0.00144 -0.00162 -0.00003 0.00012 110 8 C 1S -0.01925 0.00871 0.01611 0.00022 -0.00084 111 2S 0.02058 -0.00685 -0.02627 0.00053 0.00118 112 2PX 0.05512 -0.02558 -0.07044 0.00076 0.00354 113 2PY -0.00107 0.01315 -0.01348 0.00090 0.00043 114 2PZ -0.08376 0.00977 0.07067 -0.00153 -0.00214 115 3S 0.20447 -0.09294 -0.11706 -0.00045 0.01248 116 3PX 0.03235 -0.02459 -0.07905 0.00066 0.00356 117 3PY -0.06583 0.03268 0.07167 -0.00016 -0.00533 118 3PZ -0.12390 0.03338 0.03578 0.00015 -0.00373 119 4XX -0.00185 0.00272 -0.00077 0.00004 -0.00019 120 4YY -0.00222 0.00023 0.00264 -0.00009 -0.00021 121 4ZZ 0.00052 -0.00101 -0.00179 0.00009 0.00023 122 4XY -0.00188 -0.00082 0.00214 0.00002 0.00011 123 4XZ -0.00022 0.00035 0.00237 -0.00005 -0.00017 124 4YZ 0.00255 -0.00039 -0.00412 -0.00003 0.00013 125 9 C 1S 0.00262 0.00103 -0.00802 0.00007 0.00015 126 2S -0.00863 -0.00610 0.01548 -0.00031 0.00006 127 2PX 0.00888 -0.00851 0.01919 -0.00115 -0.00068 128 2PY -0.02285 -0.00420 0.02639 -0.00023 -0.00028 129 2PZ 0.00314 0.00651 -0.01741 0.00121 0.00068 130 3S -0.03095 0.03686 0.07727 -0.00054 -0.00638 131 3PX 0.00231 -0.00285 0.03000 -0.00096 -0.00128 132 3PY -0.04227 0.01102 0.04957 -0.00041 -0.00288 133 3PZ -0.00060 -0.01400 -0.01871 0.00081 0.00273 134 4XX 0.00010 -0.00016 -0.00270 0.00008 0.00012 135 4YY -0.00337 -0.00016 0.00335 -0.00006 -0.00008 136 4ZZ 0.00010 0.00070 -0.00095 0.00009 0.00001 137 4XY 0.00197 -0.00085 -0.00125 -0.00001 0.00003 138 4XZ -0.00045 0.00016 0.00013 0.00006 0.00008 139 4YZ -0.00207 0.00027 0.00197 -0.00006 -0.00005 140 10 H 1S 0.00081 -0.00496 0.00166 -0.00022 -0.00002 141 2S -0.00031 -0.01250 0.00144 -0.00068 0.00022 142 11 H 1S 0.01717 0.00684 0.01038 -0.00011 -0.00031 143 2S 0.04015 0.00680 0.01586 -0.00012 -0.00056 144 12 H 1S -0.00451 -0.00557 -0.00773 -0.00003 0.00123 145 2S 0.01556 -0.00602 0.00656 -0.00045 0.00104 146 13 H 1S 0.01050 0.00268 -0.01116 0.00062 0.00040 147 2S 0.01430 0.00762 -0.01633 0.00062 -0.00005 148 14 C 1S -0.00015 -0.00029 0.00158 0.00001 -0.00001 149 2S 0.00045 0.00077 -0.00297 0.00000 -0.00001 150 2PX 0.00877 0.00174 -0.00296 0.00007 -0.00004 151 2PY 0.00741 0.00090 0.00350 0.00006 -0.00009 152 2PZ -0.00726 -0.00017 -0.00108 -0.00056 -0.00029 153 3S 0.00587 0.00149 -0.00306 0.00042 0.00118 154 3PX 0.01238 -0.00018 -0.00114 0.00019 0.00059 155 3PY -0.00687 0.00026 0.00493 0.00003 -0.00029 156 3PZ -0.01026 0.00095 0.00258 -0.00020 -0.00004 157 4XX -0.00024 0.00009 0.00057 0.00000 -0.00003 158 4YY 0.00014 -0.00013 0.00049 -0.00003 -0.00002 159 4ZZ -0.00040 0.00011 -0.00020 0.00001 0.00003 160 4XY 0.00022 0.00042 -0.00035 0.00008 0.00004 161 4XZ -0.00037 0.00009 -0.00024 0.00001 0.00002 162 4YZ 0.00024 0.00017 -0.00002 0.00004 0.00002 163 15 H 1S -0.00012 -0.00095 0.00337 -0.00024 -0.00021 164 2S 0.00489 -0.00406 0.00338 -0.00052 -0.00013 165 16 H 1S -0.00073 0.00089 -0.00192 0.00036 0.00027 166 2S -0.00162 0.00128 0.00024 0.00040 0.00033 167 17 C 1S -0.00190 0.00296 0.00178 0.00023 0.00007 168 2S 0.01310 -0.01045 -0.00655 -0.00038 0.00049 169 2PX -0.00202 0.00378 0.00957 0.00003 -0.00161 170 2PY -0.00980 0.01252 0.00916 0.00055 -0.00061 171 2PZ 0.00661 -0.01017 -0.01618 -0.00056 0.00177 172 3S -0.03365 0.01186 0.01113 -0.00003 -0.00277 173 3PX -0.01153 0.01441 0.02531 -0.00020 -0.00284 174 3PY 0.00779 0.00044 0.00116 0.00008 0.00032 175 3PZ 0.01909 -0.01475 -0.00909 -0.00050 0.00198 176 4XX 0.00093 -0.00004 0.00028 0.00003 0.00004 177 4YY 0.00033 -0.00057 -0.00025 0.00000 0.00009 178 4ZZ 0.00124 -0.00061 -0.00028 0.00003 0.00010 179 4XY 0.00013 -0.00066 -0.00063 -0.00002 0.00009 180 4XZ 0.00051 -0.00034 -0.00036 -0.00001 0.00006 181 4YZ 0.00117 -0.00035 -0.00069 0.00003 0.00000 182 18 H 1S 0.00471 -0.00380 -0.00384 -0.00014 0.00031 183 2S 0.00142 -0.00049 -0.00616 0.00015 0.00034 184 19 H 1S -0.00257 0.00364 0.00324 0.00012 -0.00008 185 2S -0.00518 0.00780 0.01060 0.00002 -0.00065 31 32 33 34 35 31 4ZZ 0.00170 32 4XY -0.00016 0.00249 33 4XZ 0.00006 -0.00119 0.00060 34 4YZ -0.00146 -0.00002 0.00004 0.00212 35 3 O 1S -0.00104 0.00081 -0.00054 0.00118 2.07880 36 2S 0.00134 -0.00094 0.00065 -0.00198 -0.18325 37 2PX 0.00029 -0.00079 -0.00028 -0.00305 -0.01480 38 2PY 0.00722 -0.00225 0.00405 -0.00041 0.01267 39 2PZ -0.00452 -0.00212 -0.00005 -0.00286 0.02815 40 3S 0.00724 -0.00891 0.00436 -0.00880 -0.26963 41 3PX 0.00168 -0.00185 0.00037 -0.00396 -0.01180 42 3PY 0.00574 -0.00252 0.00333 -0.00103 0.00581 43 3PZ -0.00232 -0.00368 0.00096 -0.00339 0.01269 44 4XX -0.00029 0.00040 -0.00018 0.00039 -0.01753 45 4YY -0.00008 0.00065 -0.00021 0.00034 -0.01257 46 4ZZ -0.00043 0.00010 -0.00012 0.00014 -0.01184 47 4XY -0.00015 0.00003 -0.00002 -0.00006 -0.00476 48 4XZ 0.00009 0.00001 -0.00002 -0.00018 -0.00088 49 4YZ 0.00025 -0.00013 0.00015 -0.00022 -0.00191 50 4 C 1S -0.00033 -0.00016 -0.00002 -0.00011 -0.00165 51 2S 0.00075 0.00033 0.00009 0.00024 0.00519 52 2PX -0.00064 0.00095 -0.00031 -0.00102 0.01086 53 2PY 0.00085 0.00014 0.00001 0.00058 0.00104 54 2PZ -0.00130 -0.00054 -0.00015 0.00021 -0.00671 55 3S 0.00139 0.00153 -0.00045 -0.00045 -0.01450 56 3PX -0.00048 0.00089 -0.00045 -0.00134 0.00463 57 3PY -0.00036 0.00019 -0.00009 0.00087 -0.01080 58 3PZ -0.00106 0.00028 -0.00063 -0.00014 -0.00049 59 4XX -0.00004 -0.00002 0.00000 -0.00003 -0.00008 60 4YY -0.00001 0.00006 -0.00002 -0.00006 -0.00060 61 4ZZ 0.00004 0.00000 0.00000 0.00006 -0.00029 62 4XY -0.00007 -0.00005 0.00003 -0.00001 -0.00005 63 4XZ 0.00010 -0.00002 0.00003 -0.00003 0.00043 64 4YZ 0.00002 0.00001 -0.00001 -0.00003 0.00037 65 5 C 1S 0.00045 -0.00005 0.00002 -0.00021 0.00123 66 2S -0.00105 0.00068 -0.00034 0.00053 -0.00316 67 2PX -0.00209 0.00075 -0.00037 0.00135 -0.02878 68 2PY -0.00120 -0.00005 -0.00008 -0.00023 -0.00974 69 2PZ 0.00136 -0.00012 0.00016 -0.00029 0.00595 70 3S -0.00027 -0.00132 0.00064 0.00082 0.04968 71 3PX -0.00098 0.00083 -0.00045 0.00075 0.00554 72 3PY 0.00051 -0.00172 0.00107 -0.00004 0.01076 73 3PZ 0.00012 -0.00114 0.00038 0.00000 0.00885 74 4XX -0.00027 0.00004 -0.00010 -0.00008 -0.00584 75 4YY 0.00009 0.00004 0.00002 -0.00004 0.00288 76 4ZZ 0.00018 0.00011 -0.00001 0.00010 0.00057 77 4XY 0.00022 -0.00016 0.00016 0.00002 -0.00149 78 4XZ -0.00004 -0.00005 0.00003 -0.00008 0.00557 79 4YZ -0.00017 -0.00001 -0.00005 -0.00002 0.00079 80 6 C 1S 0.00079 -0.00019 0.00008 0.00013 -0.00131 81 2S -0.00074 -0.00010 -0.00001 -0.00040 0.00421 82 2PX 0.00012 -0.00027 0.00018 -0.00019 0.00920 83 2PY 0.00099 -0.00062 0.00079 0.00050 0.00106 84 2PZ 0.00021 0.00025 -0.00001 0.00019 -0.00632 85 3S -0.00273 0.00085 -0.00044 0.00139 -0.01219 86 3PX -0.00002 -0.00049 0.00042 -0.00029 -0.00574 87 3PY 0.00029 -0.00197 0.00152 0.00150 0.01384 88 3PZ -0.00028 -0.00127 0.00078 0.00058 -0.00425 89 4XX -0.00012 -0.00019 0.00004 0.00008 -0.00091 90 4YY 0.00001 -0.00007 0.00001 -0.00003 -0.00027 91 4ZZ 0.00011 0.00000 0.00006 -0.00005 0.00007 92 4XY 0.00002 -0.00010 0.00002 0.00003 0.00034 93 4XZ -0.00003 -0.00013 0.00005 0.00002 0.00021 94 4YZ -0.00006 0.00001 0.00001 0.00000 0.00018 95 7 C 1S 0.00039 0.00022 -0.00019 -0.00031 -0.00065 96 2S -0.00048 -0.00221 0.00090 0.00061 0.00221 97 2PX -0.00136 -0.00268 -0.00016 0.00150 0.00229 98 2PY -0.00092 -0.00019 -0.00040 0.00016 -0.00345 99 2PZ 0.00088 0.00169 0.00003 -0.00093 -0.00066 100 3S -0.00164 0.00347 -0.00176 0.00172 0.00251 101 3PX -0.00206 0.00036 -0.00064 0.00282 0.00452 102 3PY -0.00166 -0.00358 0.00146 0.00050 -0.00056 103 3PZ -0.00059 -0.00074 0.00120 0.00151 0.00106 104 4XX 0.00003 -0.00005 0.00003 0.00009 -0.00031 105 4YY -0.00009 -0.00024 0.00008 0.00000 -0.00021 106 4ZZ 0.00008 0.00001 0.00004 -0.00008 0.00036 107 4XY 0.00005 0.00010 -0.00008 -0.00009 -0.00008 108 4XZ -0.00007 -0.00021 0.00009 0.00012 0.00007 109 4YZ -0.00002 -0.00002 0.00005 0.00003 0.00013 110 8 C 1S 0.00101 0.00099 -0.00055 -0.00095 0.00086 111 2S -0.00082 -0.00114 0.00040 0.00197 0.00019 112 2PX -0.00042 -0.00099 0.00049 0.00256 -0.00434 113 2PY 0.00049 -0.00062 -0.00012 0.00153 0.00059 114 2PZ 0.00029 0.00339 -0.00085 -0.00212 -0.00045 115 3S -0.00529 -0.01219 0.00563 0.00510 -0.01540 116 3PX -0.00215 -0.00074 0.00036 0.00407 -0.01083 117 3PY 0.00392 0.00383 -0.00245 -0.00394 -0.00541 118 3PZ 0.00032 0.00687 -0.00269 -0.00009 0.00698 119 4XX 0.00018 0.00005 0.00000 -0.00001 0.00006 120 4YY -0.00009 0.00006 -0.00002 -0.00002 0.00007 121 4ZZ 0.00003 0.00016 -0.00010 0.00000 -0.00011 122 4XY 0.00017 0.00017 -0.00006 -0.00019 -0.00060 123 4XZ -0.00015 -0.00017 0.00008 0.00014 -0.00010 124 4YZ -0.00020 -0.00014 0.00011 0.00031 0.00003 125 9 C 1S -0.00014 -0.00013 -0.00003 0.00039 -0.00018 126 2S -0.00002 0.00054 -0.00013 -0.00087 0.00122 127 2PX -0.00070 -0.00072 0.00060 -0.00025 0.00417 128 2PY 0.00018 0.00104 -0.00025 -0.00168 -0.00373 129 2PZ 0.00073 0.00004 -0.00024 0.00034 -0.00409 130 3S 0.00358 0.00162 -0.00090 -0.00411 0.00033 131 3PX 0.00008 -0.00053 0.00030 -0.00097 0.00112 132 3PY 0.00188 0.00240 -0.00142 -0.00312 -0.00475 133 3PZ -0.00026 0.00049 -0.00035 0.00028 -0.00255 134 4XX 0.00000 0.00005 -0.00003 0.00010 -0.00027 135 4YY 0.00003 0.00016 -0.00007 -0.00015 -0.00003 136 4ZZ 0.00006 0.00004 -0.00002 0.00005 0.00028 137 4XY -0.00004 -0.00007 0.00002 0.00005 -0.00034 138 4XZ 0.00009 0.00001 0.00000 -0.00003 -0.00009 139 4YZ 0.00000 0.00008 -0.00002 -0.00006 0.00046 140 10 H 1S -0.00044 -0.00016 0.00006 -0.00018 -0.00242 141 2S -0.00106 -0.00019 -0.00002 -0.00023 -0.00535 142 11 H 1S 0.00018 -0.00039 0.00022 -0.00020 0.01357 143 2S 0.00063 -0.00170 0.00088 -0.00058 0.01235 144 12 H 1S -0.00058 0.00006 0.00016 0.00139 -0.00081 145 2S -0.00033 -0.00130 0.00084 0.00026 0.00271 146 13 H 1S 0.00037 -0.00042 0.00011 0.00038 -0.00033 147 2S 0.00041 -0.00075 0.00029 0.00077 -0.00063 148 14 C 1S 0.00012 0.00004 0.00000 -0.00007 0.00072 149 2S -0.00022 -0.00011 0.00001 0.00013 -0.00151 150 2PX 0.00017 -0.00015 0.00031 -0.00024 0.00140 151 2PY 0.00058 -0.00012 0.00024 -0.00034 0.00528 152 2PZ -0.00114 -0.00010 -0.00038 0.00045 -0.00442 153 3S 0.00013 -0.00077 0.00039 -0.00005 -0.00606 154 3PX 0.00052 -0.00041 0.00047 -0.00037 0.00099 155 3PY 0.00064 0.00083 -0.00030 -0.00056 -0.00132 156 3PZ -0.00062 0.00021 -0.00041 0.00015 -0.00511 157 4XX 0.00002 0.00002 0.00000 -0.00004 0.00053 158 4YY 0.00001 -0.00002 0.00000 -0.00002 0.00013 159 4ZZ 0.00002 0.00004 -0.00001 0.00000 -0.00026 160 4XY 0.00005 -0.00001 0.00002 0.00002 -0.00020 161 4XZ 0.00000 0.00004 -0.00001 0.00000 -0.00024 162 4YZ 0.00003 -0.00001 0.00002 0.00000 0.00011 163 15 H 1S -0.00005 -0.00006 -0.00007 -0.00010 0.00177 164 2S -0.00023 -0.00029 0.00007 -0.00014 0.00371 165 16 H 1S 0.00027 0.00008 0.00006 0.00008 -0.00135 166 2S 0.00049 0.00032 0.00000 -0.00011 -0.00169 167 17 C 1S 0.00031 0.00008 0.00001 -0.00006 0.00054 168 2S -0.00073 -0.00083 0.00023 0.00024 -0.00106 169 2PX -0.00121 -0.00142 -0.00040 0.00061 -0.00052 170 2PY 0.00008 -0.00040 -0.00023 0.00029 0.00174 171 2PZ 0.00089 0.00153 0.00036 -0.00029 0.00072 172 3S 0.00060 0.00241 -0.00126 -0.00041 -0.00171 173 3PX -0.00014 -0.00061 -0.00053 -0.00053 -0.00013 174 3PY -0.00051 -0.00121 0.00023 0.00025 0.00071 175 3PZ 0.00067 0.00037 0.00057 -0.00063 0.00105 176 4XX 0.00002 -0.00010 0.00002 0.00000 -0.00004 177 4YY 0.00002 0.00001 0.00002 -0.00002 0.00000 178 4ZZ -0.00001 -0.00010 0.00004 0.00002 0.00009 179 4XY 0.00003 0.00009 0.00001 -0.00002 0.00003 180 4XZ -0.00001 -0.00003 0.00003 0.00002 0.00003 181 4YZ -0.00006 -0.00009 0.00001 0.00007 -0.00007 182 18 H 1S -0.00025 -0.00022 0.00004 0.00027 0.00020 183 2S -0.00006 0.00006 0.00005 0.00046 0.00000 184 19 H 1S 0.00011 -0.00013 0.00002 -0.00008 0.00047 185 2S 0.00033 -0.00015 -0.00001 -0.00037 0.00129 36 37 38 39 40 36 2S 0.51063 37 2PX 0.02233 0.57093 38 2PY -0.03356 -0.09897 0.73212 39 2PZ -0.06947 0.01721 -0.06227 0.69557 40 3S 0.63719 0.11300 -0.02487 -0.10050 0.89608 41 3PX 0.01950 0.35548 -0.09286 0.01647 0.08368 42 3PY -0.01630 -0.09952 0.51298 -0.04810 -0.00654 43 3PZ -0.03543 0.02364 -0.04651 0.50202 -0.03396 44 4XX 0.00245 -0.01040 -0.00448 -0.00917 -0.00415 45 4YY -0.00818 -0.00229 0.01952 -0.01289 -0.01319 46 4ZZ -0.01069 0.00199 -0.00890 0.03415 -0.01598 47 4XY 0.01019 0.01076 -0.00493 0.00169 0.01275 48 4XZ 0.00192 0.02382 -0.00310 -0.00339 0.00552 49 4YZ 0.00361 -0.00150 0.02605 0.01305 0.00564 50 4 C 1S 0.00247 -0.00409 -0.01238 0.01749 0.00918 51 2S -0.01030 0.00091 0.04147 -0.04201 -0.01922 52 2PX -0.02319 0.00283 0.02465 0.00054 -0.07415 53 2PY -0.00178 0.01142 0.01243 -0.03313 -0.00489 54 2PZ 0.01868 -0.01096 -0.04978 0.06110 0.02619 55 3S 0.03043 0.01092 0.02373 -0.09182 0.04700 56 3PX -0.01095 0.02374 -0.00631 0.01829 -0.03587 57 3PY 0.02234 0.00686 -0.02230 -0.03134 0.03680 58 3PZ 0.00222 -0.00610 -0.05549 0.07721 0.00666 59 4XX 0.00011 0.00175 0.00025 -0.00014 -0.00007 60 4YY 0.00155 -0.00350 0.00100 -0.00102 0.00256 61 4ZZ 0.00067 -0.00429 0.00067 0.00189 -0.00100 62 4XY 0.00005 -0.00192 0.00088 0.00242 -0.00078 63 4XZ -0.00093 0.00496 0.00423 -0.00743 -0.00090 64 4YZ -0.00036 0.00126 0.00001 0.00063 -0.00021 65 5 C 1S -0.00467 0.05262 0.00580 -0.02720 0.04182 66 2S 0.00450 -0.10830 -0.01954 0.04849 -0.05134 67 2PX 0.06850 -0.28072 -0.03828 0.12745 0.02944 68 2PY 0.02161 -0.06163 -0.00970 0.03388 0.02266 69 2PZ -0.01796 0.10884 0.01891 -0.04867 0.02407 70 3S -0.11778 -0.07434 0.04030 0.07988 -0.20273 71 3PX -0.01310 -0.08362 -0.03679 0.03498 -0.04471 72 3PY -0.02435 -0.03910 0.05633 0.01299 -0.03523 73 3PZ -0.01957 0.02857 0.01440 0.05304 -0.00610 74 4XX 0.01446 -0.01327 -0.01496 0.02031 0.01686 75 4YY -0.00600 0.00929 0.00803 -0.00412 -0.00720 76 4ZZ -0.00027 0.00218 0.00417 -0.01770 0.00013 77 4XY 0.00334 -0.01436 0.02028 0.00501 0.00262 78 4XZ -0.01338 0.01786 0.00610 0.01040 -0.01708 79 4YZ -0.00199 0.00749 -0.01034 0.00660 -0.00257 80 6 C 1S 0.00240 -0.01455 0.01329 0.00289 0.00492 81 2S -0.00937 0.03771 -0.03654 0.00519 -0.01014 82 2PX -0.01938 0.04965 -0.03321 -0.00646 -0.06524 83 2PY 0.00169 -0.04115 0.04587 0.00710 -0.02120 84 2PZ 0.01300 -0.01485 0.00803 -0.00124 0.04355 85 3S 0.02614 0.04762 -0.09294 -0.04909 0.03706 86 3PX 0.01287 0.01780 0.00497 -0.02889 0.00525 87 3PY -0.02873 -0.04250 0.09047 0.00284 -0.05347 88 3PZ 0.00785 -0.02692 0.02496 -0.00926 0.03235 89 4XX 0.00171 -0.00788 0.00192 0.00488 0.00251 90 4YY 0.00025 0.00564 -0.00423 -0.00066 0.00056 91 4ZZ 0.00027 0.00026 -0.00109 0.00035 -0.00125 92 4XY -0.00074 0.00255 0.00205 -0.00115 0.00125 93 4XZ -0.00033 0.00448 -0.00397 -0.00077 -0.00024 94 4YZ -0.00038 -0.00193 0.00077 0.00222 -0.00130 95 7 C 1S 0.00206 -0.00255 0.00306 0.00516 0.00076 96 2S -0.00516 0.00972 -0.00575 -0.01186 -0.00900 97 2PX -0.00573 0.00876 -0.01480 -0.01659 -0.00940 98 2PY 0.00333 -0.00654 0.00393 0.01425 0.03010 99 2PZ 0.00281 -0.01793 0.01234 -0.00378 -0.00392 100 3S 0.00133 -0.00119 -0.03525 -0.02798 -0.03017 101 3PX -0.00802 -0.01473 0.01379 -0.04587 -0.02351 102 3PY -0.00255 -0.00191 -0.00782 0.04333 0.01337 103 3PZ -0.00172 -0.02708 0.02042 -0.03467 -0.00912 104 4XX 0.00046 -0.00116 0.00161 -0.00229 0.00164 105 4YY -0.00004 0.00146 -0.00303 0.00047 0.00214 106 4ZZ -0.00090 0.00135 0.00130 0.00170 -0.00269 107 4XY 0.00000 -0.00010 -0.00016 0.00162 0.00123 108 4XZ -0.00018 0.00024 -0.00047 -0.00029 -0.00013 109 4YZ -0.00027 0.00177 -0.00030 0.00058 -0.00110 110 8 C 1S 0.00010 -0.00251 0.00921 0.00902 -0.01604 111 2S -0.00063 0.00397 -0.01495 -0.03133 0.00769 112 2PX 0.00693 0.00963 -0.02556 -0.02723 0.03236 113 2PY -0.00078 0.00303 0.01046 0.01857 -0.00440 114 2PZ 0.00030 -0.00246 0.04575 0.07077 0.00428 115 3S 0.03100 0.02122 -0.05346 0.01373 0.08489 116 3PX 0.02513 0.01580 -0.04860 -0.09074 0.04576 117 3PY 0.01285 0.04229 -0.03200 0.00144 0.01996 118 3PZ -0.01341 -0.01775 0.03761 -0.01456 -0.04647 119 4XX 0.00014 -0.00197 -0.00326 -0.00617 -0.00111 120 4YY -0.00045 0.00083 0.00209 -0.00173 -0.00044 121 4ZZ 0.00008 0.00060 0.00208 0.00436 0.00059 122 4XY 0.00131 -0.00093 0.00050 0.00061 0.00325 123 4XZ -0.00004 0.00210 0.00263 0.00226 0.00033 124 4YZ -0.00014 0.00048 0.00166 0.00475 -0.00091 125 9 C 1S 0.00014 -0.00253 -0.00191 0.00440 0.00026 126 2S -0.00179 -0.00005 0.00987 -0.01565 -0.00631 127 2PX -0.01283 0.03285 0.02745 -0.05670 -0.02122 128 2PY 0.00710 -0.01526 -0.00670 0.00860 0.02843 129 2PZ 0.00763 -0.01804 -0.01889 0.03747 0.02783 130 3S 0.00273 0.03053 0.01513 -0.01896 0.00735 131 3PX -0.00524 0.02944 0.02625 -0.03088 -0.00697 132 3PY 0.01076 0.00808 -0.03214 0.02489 0.02771 133 3PZ 0.00420 -0.02606 -0.00906 0.02506 0.01145 134 4XX 0.00048 -0.00083 -0.00137 -0.00038 0.00147 135 4YY 0.00002 -0.00022 0.00016 0.00022 0.00003 136 4ZZ -0.00070 0.00001 0.00259 -0.00139 -0.00191 137 4XY 0.00068 0.00075 -0.00182 0.00157 0.00221 138 4XZ 0.00018 -0.00018 0.00121 -0.00229 0.00099 139 4YZ -0.00102 0.00004 0.00244 0.00178 -0.00248 140 10 H 1S 0.00534 -0.01288 -0.00673 0.01435 0.01448 141 2S 0.01111 -0.01051 -0.03231 0.02762 0.02287 142 11 H 1S -0.03020 0.02637 0.02196 0.02402 -0.05955 143 2S -0.02826 0.04577 0.04449 0.04866 -0.03820 144 12 H 1S 0.00067 0.00731 0.01740 0.03288 0.01095 145 2S -0.00838 0.00274 0.03703 0.07299 -0.00069 146 13 H 1S -0.00002 -0.00015 -0.00018 -0.00338 0.00409 147 2S 0.00089 0.00600 -0.00597 -0.01289 0.00542 148 14 C 1S -0.00175 0.00706 -0.00213 -0.00137 -0.00406 149 2S 0.00361 -0.01513 0.00313 0.00399 0.00805 150 2PX -0.00157 0.01292 -0.00737 -0.00308 -0.00959 151 2PY -0.00894 0.03689 -0.01242 -0.01071 -0.04482 152 2PZ 0.00839 -0.05185 0.02828 0.01670 0.03953 153 3S 0.01391 -0.03662 0.03249 -0.00987 0.02413 154 3PX -0.00084 0.01541 0.00090 -0.00687 -0.00966 155 3PY 0.00434 0.03214 -0.03166 -0.01496 -0.01372 156 3PZ 0.00971 -0.04254 0.02811 0.01135 0.03336 157 4XX -0.00112 0.00201 -0.00057 -0.00051 -0.00279 158 4YY -0.00046 0.00211 -0.00081 -0.00006 -0.00060 159 4ZZ 0.00055 -0.00185 0.00135 0.00006 0.00173 160 4XY 0.00046 -0.00192 0.00103 0.00036 0.00038 161 4XZ 0.00052 -0.00159 0.00145 -0.00007 0.00204 162 4YZ -0.00016 -0.00021 0.00024 0.00022 -0.00118 163 15 H 1S -0.00325 0.01248 -0.00600 -0.00188 -0.01416 164 2S -0.00786 0.02528 -0.01050 0.00148 -0.01810 165 16 H 1S 0.00235 -0.00745 0.00342 0.00065 0.00708 166 2S 0.00315 -0.00484 0.00609 0.00247 0.00715 167 17 C 1S -0.00020 0.00074 0.00150 -0.00048 -0.00586 168 2S 0.00069 -0.00092 -0.00375 0.00325 0.01152 169 2PX -0.00092 -0.00564 -0.00415 0.01085 0.01312 170 2PY -0.00219 -0.00176 -0.00026 0.00005 -0.01155 171 2PZ 0.00103 0.00718 0.00106 -0.01812 -0.01760 172 3S 0.00316 0.00035 0.00331 -0.02944 0.00945 173 3PX -0.00151 -0.00040 -0.00345 0.02287 0.00921 174 3PY -0.00153 -0.00554 -0.00520 0.01358 -0.00032 175 3PZ -0.00111 0.01210 -0.00079 0.00572 -0.01195 176 4XX 0.00003 0.00027 -0.00001 -0.00011 0.00028 177 4YY 0.00004 -0.00073 0.00117 -0.00022 0.00002 178 4ZZ -0.00022 0.00035 0.00009 0.00021 -0.00041 179 4XY 0.00005 -0.00044 0.00056 0.00019 -0.00025 180 4XZ -0.00004 -0.00012 0.00026 0.00026 -0.00024 181 4YZ 0.00004 0.00017 -0.00015 -0.00032 0.00075 182 18 H 1S -0.00015 -0.00005 -0.00085 -0.00129 -0.00149 183 2S 0.00083 -0.00179 0.00589 -0.00791 -0.00265 184 19 H 1S -0.00085 0.00057 -0.00005 0.00042 -0.00262 185 2S -0.00254 0.00555 -0.00007 0.00655 -0.00857 41 42 43 44 45 41 3PX 0.22996 42 3PY -0.08154 0.36342 43 3PZ 0.02139 -0.03444 0.36848 44 4XX -0.00656 -0.00273 -0.00764 0.00131 45 4YY -0.00308 0.01322 -0.01037 0.00032 0.00132 46 4ZZ 0.00133 -0.00684 0.02370 -0.00032 -0.00043 47 4XY 0.00654 -0.00359 0.00162 0.00001 -0.00017 48 4XZ 0.01455 -0.00346 -0.00183 -0.00028 0.00004 49 4YZ -0.00197 0.01788 0.00974 -0.00044 0.00037 50 4 C 1S -0.00407 -0.01029 0.01764 -0.00037 -0.00153 51 2S 0.00150 0.03200 -0.03804 -0.00026 0.00241 52 2PX 0.01478 0.01944 -0.00770 0.00138 0.00137 53 2PY 0.01243 0.01002 -0.03057 -0.00051 0.00097 54 2PZ -0.00315 -0.04366 0.05601 0.00170 -0.00188 55 3S 0.00385 0.01968 -0.07032 -0.00066 0.00211 56 3PX 0.02269 -0.00397 0.00947 0.00077 -0.00036 57 3PY 0.00280 -0.01580 -0.02237 -0.00024 -0.00035 58 3PZ -0.00219 -0.04305 0.06081 0.00062 -0.00271 59 4XX 0.00124 -0.00004 0.00011 -0.00003 -0.00001 60 4YY -0.00257 0.00050 -0.00055 0.00009 -0.00003 61 4ZZ -0.00252 0.00112 0.00117 0.00022 0.00006 62 4XY -0.00104 0.00074 0.00173 -0.00005 0.00000 63 4XZ 0.00332 0.00271 -0.00541 0.00005 0.00025 64 4YZ 0.00076 -0.00016 0.00102 0.00002 0.00011 65 5 C 1S 0.02184 0.00106 -0.01188 -0.00656 -0.00037 66 2S -0.05389 -0.00589 0.02617 0.00940 -0.00208 67 2PX -0.17386 -0.00593 0.08103 0.00067 -0.00376 68 2PY -0.03072 -0.01953 0.02199 0.00166 -0.00437 69 2PZ 0.06164 0.00892 -0.04753 -0.00873 -0.00055 70 3S -0.03032 0.03014 0.04448 0.00750 0.00014 71 3PX -0.04952 -0.01981 0.01775 0.00026 -0.00050 72 3PY -0.01920 0.03484 0.00643 0.00018 -0.00020 73 3PZ 0.01673 0.00824 0.03419 -0.00430 -0.00143 74 4XX -0.00805 -0.00980 0.01539 -0.00007 -0.00100 75 4YY 0.00584 0.00472 -0.00311 -0.00005 0.00042 76 4ZZ 0.00079 0.00331 -0.01303 0.00010 0.00055 77 4XY -0.00970 0.01533 0.00384 0.00005 0.00046 78 4XZ 0.01151 0.00338 0.00727 -0.00031 0.00032 79 4YZ 0.00526 -0.00783 0.00540 0.00025 -0.00028 80 6 C 1S -0.01418 0.01267 0.00299 -0.00075 0.00005 81 2S 0.03202 -0.03228 0.00357 0.00105 -0.00118 82 2PX 0.05234 -0.02779 -0.01581 0.00400 0.00003 83 2PY -0.02400 0.04630 0.00274 -0.00250 0.00482 84 2PZ -0.02097 0.01107 -0.00077 -0.00173 -0.00031 85 3S 0.03356 -0.07044 -0.03612 0.00121 -0.00183 86 3PX 0.01687 0.00370 -0.02244 0.00088 0.00120 87 3PY -0.02446 0.06887 -0.00185 -0.00029 0.00347 88 3PZ -0.02545 0.02054 -0.00394 -0.00135 0.00000 89 4XX -0.00563 0.00171 0.00368 -0.00009 -0.00017 90 4YY 0.00420 -0.00319 -0.00043 0.00017 -0.00018 91 4ZZ 0.00072 -0.00033 0.00006 -0.00004 0.00010 92 4XY 0.00070 0.00166 -0.00036 -0.00027 0.00016 93 4XZ 0.00317 -0.00278 -0.00072 -0.00017 -0.00001 94 4YZ -0.00109 0.00066 0.00179 0.00018 0.00002 95 7 C 1S -0.00273 -0.00052 0.00425 0.00035 -0.00002 96 2S 0.00841 -0.00112 -0.00930 0.00010 0.00063 97 2PX 0.00231 -0.01406 -0.01053 0.00161 -0.00069 98 2PY -0.01013 0.00004 0.01681 -0.00148 -0.00245 99 2PZ -0.01137 0.00722 -0.00318 0.00099 -0.00036 100 3S -0.00463 -0.02213 -0.02644 0.00279 0.00205 101 3PX -0.01483 0.00773 -0.03687 0.00258 0.00114 102 3PY -0.00211 -0.00482 0.03628 -0.00282 -0.00161 103 3PZ -0.01751 0.01473 -0.02716 0.00045 0.00087 104 4XX -0.00102 0.00113 -0.00146 -0.00021 0.00010 105 4YY 0.00075 -0.00240 0.00067 -0.00003 -0.00030 106 4ZZ 0.00170 0.00106 0.00105 0.00010 0.00009 107 4XY -0.00047 0.00012 0.00135 0.00004 -0.00007 108 4XZ 0.00020 0.00005 -0.00001 0.00013 0.00002 109 4YZ 0.00188 -0.00047 0.00005 -0.00012 0.00002 110 8 C 1S -0.00168 0.00559 0.00344 0.00122 0.00064 111 2S 0.00397 -0.01092 -0.02045 -0.00053 0.00035 112 2PX 0.00759 -0.02118 -0.01852 -0.00425 -0.00085 113 2PY 0.00400 0.00923 0.01367 0.00122 0.00055 114 2PZ -0.00060 0.04090 0.05592 0.00415 -0.00050 115 3S 0.01938 -0.04052 0.02452 -0.00685 -0.00288 116 3PX 0.00829 -0.03703 -0.06463 -0.00117 -0.00012 117 3PY 0.03044 -0.02165 0.00193 0.00154 -0.00091 118 3PZ -0.01548 0.02987 -0.01609 0.00587 0.00247 119 4XX -0.00124 -0.00214 -0.00485 0.00025 0.00006 120 4YY 0.00060 0.00156 -0.00108 0.00010 0.00001 121 4ZZ 0.00001 0.00120 0.00308 -0.00025 0.00007 122 4XY -0.00033 0.00063 0.00082 0.00000 0.00001 123 4XZ 0.00179 0.00231 0.00193 0.00012 0.00000 124 4YZ 0.00056 0.00108 0.00322 -0.00006 -0.00004 125 9 C 1S -0.00416 -0.00168 0.00291 -0.00001 -0.00017 126 2S 0.00321 0.00716 -0.01101 0.00075 0.00099 127 2PX 0.02307 0.02004 -0.04464 -0.00145 0.00068 128 2PY -0.01602 -0.00189 0.01044 0.00011 -0.00118 129 2PZ -0.02118 -0.01126 0.03037 -0.00057 -0.00134 130 3S 0.02344 0.01263 -0.01103 0.00125 0.00049 131 3PX 0.02160 0.01846 -0.02396 -0.00095 0.00025 132 3PY 0.00340 -0.02098 0.02038 0.00025 -0.00192 133 3PZ -0.02101 -0.00621 0.01930 -0.00041 -0.00033 134 4XX -0.00095 -0.00116 -0.00013 -0.00002 -0.00002 135 4YY -0.00015 0.00018 0.00051 0.00018 0.00001 136 4ZZ -0.00001 0.00194 -0.00179 -0.00015 0.00011 137 4XY 0.00056 -0.00146 0.00149 -0.00012 -0.00011 138 4XZ -0.00015 0.00101 -0.00165 0.00004 0.00008 139 4YZ 0.00042 0.00188 0.00112 0.00013 0.00007 140 10 H 1S -0.01242 -0.00594 0.01364 0.00007 -0.00060 141 2S -0.01008 -0.02487 0.02452 0.00018 -0.00190 142 11 H 1S 0.02147 0.01790 0.02310 0.00519 0.00236 143 2S 0.03180 0.03186 0.04195 0.00097 0.00208 144 12 H 1S 0.00750 0.01549 0.02700 0.00037 -0.00011 145 2S 0.00591 0.02978 0.05560 -0.00077 -0.00043 146 13 H 1S -0.00269 0.00073 -0.00321 -0.00075 0.00008 147 2S 0.00141 -0.00323 -0.01144 -0.00110 -0.00011 148 14 C 1S 0.00581 -0.00156 -0.00141 0.00054 -0.00003 149 2S -0.01203 0.00233 0.00389 -0.00109 0.00005 150 2PX 0.01403 -0.00553 0.00004 -0.00121 0.00123 151 2PY 0.03869 -0.00930 -0.01396 0.00196 0.00132 152 2PZ -0.04828 0.02111 0.01928 -0.00062 -0.00112 153 3S -0.02883 0.02562 -0.00517 -0.00158 0.00108 154 3PX 0.01557 0.00084 -0.00462 -0.00060 0.00121 155 3PY 0.02981 -0.02253 -0.01440 0.00102 0.00051 156 3PZ -0.03959 0.02147 0.01328 -0.00033 -0.00058 157 4XX 0.00201 -0.00059 -0.00053 0.00009 0.00008 158 4YY 0.00150 -0.00078 -0.00018 0.00008 -0.00007 159 4ZZ -0.00175 0.00122 0.00009 -0.00009 0.00001 160 4XY -0.00136 0.00124 0.00017 -0.00013 0.00011 161 4XZ -0.00163 0.00117 0.00019 -0.00014 0.00004 162 4YZ 0.00015 0.00035 -0.00007 -0.00001 0.00007 163 15 H 1S 0.01215 -0.00579 -0.00387 0.00122 -0.00017 164 2S 0.02142 -0.01084 -0.00063 0.00134 -0.00056 165 16 H 1S -0.00717 0.00361 -0.00029 -0.00087 0.00008 166 2S -0.00500 0.00658 0.00142 -0.00070 0.00045 167 17 C 1S 0.00114 0.00105 -0.00145 0.00042 0.00055 168 2S -0.00167 -0.00337 0.00471 -0.00088 -0.00098 169 2PX -0.01098 -0.00205 0.01152 0.00042 -0.00125 170 2PY -0.00179 0.00113 -0.00158 0.00123 0.00097 171 2PZ 0.01277 0.00073 -0.01782 -0.00071 0.00171 172 3S -0.00122 -0.00088 -0.02206 0.00094 -0.00066 173 3PX -0.00478 -0.00199 0.01945 0.00060 -0.00143 174 3PY -0.00582 -0.00199 0.01089 -0.00015 -0.00002 175 3PZ 0.01522 -0.00131 0.00190 -0.00133 0.00078 176 4XX 0.00017 -0.00005 0.00001 0.00000 0.00000 177 4YY -0.00046 0.00093 -0.00016 -0.00002 0.00005 178 4ZZ 0.00032 0.00011 0.00015 -0.00001 0.00004 179 4XY -0.00013 0.00053 -0.00001 -0.00007 0.00007 180 4XZ 0.00004 0.00023 0.00017 0.00000 0.00002 181 4YZ -0.00003 0.00001 -0.00011 -0.00007 0.00000 182 18 H 1S 0.00041 0.00035 -0.00127 -0.00026 0.00038 183 2S -0.00067 0.00594 -0.00668 -0.00002 0.00098 184 19 H 1S 0.00100 -0.00065 0.00010 0.00037 -0.00005 185 2S 0.00538 -0.00082 0.00411 0.00073 -0.00008 46 47 48 49 50 46 4ZZ 0.00216 47 4XY 0.00001 0.00071 48 4XZ -0.00016 0.00051 0.00124 49 4YZ 0.00032 -0.00004 -0.00003 0.00151 50 4 C 1S -0.00003 -0.00025 0.00032 0.00057 2.05364 51 2S -0.00073 0.00055 -0.00127 -0.00125 -0.06443 52 2PX 0.00130 0.00030 0.00008 -0.00262 -0.00120 53 2PY 0.00033 0.00190 -0.00118 -0.00100 0.00148 54 2PZ 0.00043 -0.00202 0.00532 0.00371 -0.00378 55 3S -0.00406 0.00049 -0.00044 -0.00256 -0.16407 56 3PX 0.00136 0.00049 0.00033 -0.00221 0.00500 57 3PY -0.00121 0.00088 -0.00003 -0.00101 0.00493 58 3PZ 0.00259 -0.00069 0.00122 0.00154 0.00615 59 4XX -0.00003 -0.00001 0.00014 0.00002 -0.01259 60 4YY -0.00019 -0.00029 -0.00009 0.00015 -0.02007 61 4ZZ 0.00012 0.00023 -0.00026 0.00002 -0.01580 62 4XY 0.00012 -0.00005 -0.00002 0.00004 -0.00343 63 4XZ -0.00035 0.00007 0.00024 -0.00004 -0.00143 64 4YZ -0.00005 0.00007 0.00038 0.00014 0.00110 65 5 C 1S -0.00234 -0.00075 0.00415 0.00039 0.01253 66 2S 0.00206 0.00094 -0.00818 -0.00094 -0.02073 67 2PX 0.00709 -0.00254 -0.01362 -0.00075 -0.01132 68 2PY -0.00003 -0.00946 -0.00404 0.00287 0.03310 69 2PZ 0.00121 -0.00096 -0.00231 -0.00299 -0.06134 70 3S 0.00508 -0.00231 -0.00725 0.00105 -0.01578 71 3PX 0.00320 -0.00152 -0.00406 -0.00179 -0.00569 72 3PY 0.00025 -0.00519 -0.00232 0.00295 -0.00294 73 3PZ 0.00360 -0.00073 -0.00201 0.00099 -0.01535 74 4XX 0.00084 0.00010 -0.00051 0.00009 0.00327 75 4YY -0.00023 -0.00021 0.00044 0.00021 0.00051 76 4ZZ -0.00076 0.00024 0.00024 -0.00032 -0.00526 77 4XY -0.00004 0.00001 -0.00043 0.00098 0.00048 78 4XZ 0.00070 0.00032 0.00070 0.00023 -0.00098 79 4YZ 0.00025 0.00029 0.00053 -0.00005 0.00515 80 6 C 1S -0.00035 0.00039 -0.00041 0.00064 -0.00340 81 2S 0.00047 -0.00126 0.00065 -0.00119 0.00615 82 2PX -0.00078 -0.00366 0.00087 -0.00015 0.00583 83 2PY 0.00135 0.00303 0.00059 0.00053 -0.01113 84 2PZ -0.00132 0.00204 0.00033 0.00075 0.00271 85 3S -0.00219 -0.00058 0.00169 -0.00409 0.01468 86 3PX -0.00136 -0.00019 0.00041 -0.00060 0.00248 87 3PY 0.00041 -0.00076 -0.00160 0.00259 -0.01697 88 3PZ -0.00095 0.00099 -0.00086 0.00068 0.00102 89 4XX 0.00016 -0.00007 -0.00039 0.00013 0.00016 90 4YY -0.00008 0.00010 0.00013 -0.00010 -0.00060 91 4ZZ 0.00012 0.00013 0.00013 -0.00005 -0.00054 92 4XY -0.00013 0.00020 0.00028 0.00004 -0.00005 93 4XZ 0.00011 0.00012 0.00014 -0.00023 -0.00047 94 4YZ -0.00002 0.00003 0.00006 0.00012 0.00138 95 7 C 1S 0.00081 -0.00024 -0.00041 0.00027 -0.00206 96 2S -0.00063 0.00054 0.00082 -0.00085 0.00346 97 2PX -0.00101 -0.00069 -0.00093 -0.00161 0.00108 98 2PY -0.00047 -0.00118 -0.00134 0.00082 -0.00643 99 2PZ 0.00123 -0.00042 -0.00089 -0.00023 0.00085 100 3S -0.00104 0.00183 0.00166 -0.00232 0.00934 101 3PX -0.00263 -0.00141 -0.00129 -0.00108 -0.00070 102 3PY 0.00257 0.00068 -0.00087 0.00038 -0.00292 103 3PZ -0.00036 -0.00066 -0.00105 -0.00027 -0.00226 104 4XX -0.00002 0.00009 -0.00003 0.00004 -0.00017 105 4YY -0.00005 -0.00009 -0.00001 -0.00006 0.00026 106 4ZZ 0.00008 -0.00002 0.00004 0.00001 -0.00027 107 4XY -0.00006 0.00007 0.00002 -0.00002 -0.00032 108 4XZ -0.00008 0.00011 0.00004 -0.00015 0.00004 109 4YZ 0.00012 -0.00010 0.00002 0.00009 0.00021 110 8 C 1S 0.00084 0.00002 -0.00002 0.00024 -0.00341 111 2S -0.00108 -0.00005 0.00043 -0.00087 0.00811 112 2PX -0.00035 -0.00046 0.00022 0.00067 -0.00576 113 2PY 0.00022 0.00100 -0.00088 -0.00055 -0.01502 114 2PZ -0.00100 0.00083 -0.00055 -0.00007 -0.00138 115 3S 0.00194 0.00109 0.00023 0.00132 0.00919 116 3PX -0.00370 0.00019 0.00087 -0.00199 -0.00265 117 3PY -0.00080 0.00156 0.00151 -0.00232 -0.00802 118 3PZ -0.00248 -0.00025 -0.00010 -0.00141 -0.00133 119 4XX -0.00018 0.00000 0.00008 -0.00023 -0.00024 120 4YY -0.00018 -0.00003 0.00002 -0.00011 -0.00108 121 4ZZ 0.00020 0.00003 -0.00003 0.00032 0.00074 122 4XY -0.00013 0.00002 0.00000 0.00009 -0.00127 123 4XZ -0.00011 0.00005 -0.00007 -0.00012 -0.00041 124 4YZ 0.00027 0.00003 -0.00001 0.00013 -0.00123 125 9 C 1S 0.00036 -0.00007 -0.00076 0.00005 0.01992 126 2S -0.00094 -0.00006 0.00122 0.00005 -0.03941 127 2PX -0.00186 -0.00041 -0.00079 -0.00269 0.03987 128 2PY -0.00077 -0.00031 -0.00097 0.00040 0.04793 129 2PZ 0.00093 -0.00020 -0.00221 0.00117 0.05867 130 3S -0.00186 0.00127 0.00303 -0.00026 -0.00562 131 3PX -0.00138 -0.00031 -0.00019 -0.00155 0.00769 132 3PY 0.00023 0.00039 0.00004 -0.00063 0.00903 133 3PZ 0.00080 -0.00061 -0.00163 0.00123 0.00964 134 4XX -0.00004 -0.00004 0.00000 0.00009 0.00072 135 4YY -0.00015 -0.00005 0.00008 -0.00003 0.00032 136 4ZZ 0.00011 0.00003 -0.00025 -0.00007 -0.00111 137 4XY 0.00004 -0.00003 0.00010 0.00009 -0.00235 138 4XZ -0.00014 0.00003 -0.00005 -0.00002 -0.00303 139 4YZ 0.00002 0.00003 0.00003 -0.00002 -0.00449 140 10 H 1S -0.00042 -0.00162 0.00031 0.00089 -0.06285 141 2S 0.00012 -0.00165 0.00035 0.00056 -0.01475 142 11 H 1S -0.00013 0.00479 0.00374 0.00175 0.00993 143 2S 0.00113 0.00368 0.00453 0.00353 0.00927 144 12 H 1S -0.00019 0.00069 -0.00027 0.00025 -0.00799 145 2S 0.00182 0.00050 -0.00070 0.00187 -0.00909 146 13 H 1S 0.00019 0.00002 -0.00106 -0.00006 0.01287 147 2S 0.00031 0.00027 -0.00126 -0.00077 0.01454 148 14 C 1S -0.00026 -0.00025 0.00025 0.00022 0.00127 149 2S 0.00076 0.00051 -0.00070 -0.00048 -0.00276 150 2PX 0.00197 0.00074 0.00034 -0.00141 -0.00811 151 2PY 0.00062 -0.00085 0.00148 -0.00008 -0.00225 152 2PZ -0.00020 0.00101 -0.00160 0.00105 0.00630 153 3S 0.00013 0.00099 -0.00177 -0.00016 -0.00521 154 3PX 0.00101 0.00056 0.00051 -0.00057 -0.00494 155 3PY 0.00016 0.00003 0.00135 -0.00113 0.00073 156 3PZ -0.00070 0.00085 -0.00127 0.00108 0.00641 157 4XX 0.00003 -0.00008 0.00007 -0.00004 0.00001 158 4YY -0.00005 -0.00005 0.00006 0.00003 0.00029 159 4ZZ -0.00005 0.00007 -0.00004 0.00005 0.00001 160 4XY 0.00002 0.00010 -0.00004 0.00000 -0.00045 161 4XZ -0.00002 0.00010 -0.00003 0.00001 -0.00015 162 4YZ 0.00002 0.00002 0.00002 0.00000 -0.00008 163 15 H 1S -0.00009 -0.00064 0.00045 0.00022 0.00232 164 2S 0.00003 -0.00096 0.00087 0.00033 0.00350 165 16 H 1S -0.00033 0.00026 -0.00029 -0.00002 -0.00165 166 2S -0.00039 0.00073 0.00016 0.00028 0.00015 167 17 C 1S 0.00017 0.00017 0.00016 -0.00006 0.00000 168 2S -0.00002 -0.00035 -0.00034 0.00023 0.00014 169 2PX -0.00111 -0.00006 -0.00046 -0.00013 0.00080 170 2PY -0.00020 0.00084 0.00020 -0.00050 0.00170 171 2PZ 0.00144 0.00006 0.00078 0.00014 0.00032 172 3S -0.00216 -0.00190 -0.00029 0.00015 0.00108 173 3PX -0.00032 -0.00001 -0.00014 -0.00001 0.00034 174 3PY 0.00055 0.00098 -0.00006 -0.00029 0.00111 175 3PZ 0.00198 0.00010 0.00055 0.00055 0.00021 176 4XX -0.00002 0.00002 -0.00001 -0.00001 -0.00001 177 4YY -0.00001 0.00001 -0.00001 0.00005 0.00003 178 4ZZ 0.00000 0.00002 0.00002 0.00002 -0.00003 179 4XY 0.00005 0.00002 0.00004 0.00007 0.00007 180 4XZ 0.00003 0.00002 0.00000 0.00001 0.00003 181 4YZ -0.00008 0.00001 0.00002 0.00003 -0.00007 182 18 H 1S 0.00013 0.00026 0.00022 0.00012 0.00078 183 2S -0.00032 0.00043 0.00041 0.00020 -0.00019 184 19 H 1S 0.00004 0.00003 -0.00015 -0.00023 0.00006 185 2S 0.00041 0.00003 -0.00004 -0.00035 -0.00036 51 52 53 54 55 51 2S 0.33043 52 2PX 0.00580 0.35801 53 2PY 0.00198 0.03062 0.41015 54 2PZ -0.00101 0.01962 0.00240 0.40523 55 3S 0.26379 -0.03482 -0.01814 -0.01786 0.25807 56 3PX -0.01348 0.20580 -0.02879 -0.02112 -0.02710 57 3PY -0.02159 -0.04574 0.14632 0.00843 -0.00611 58 3PZ -0.01704 -0.02242 0.00650 0.15623 -0.02431 59 4XX -0.01284 0.00893 -0.00360 -0.00028 -0.01028 60 4YY 0.00256 -0.00953 -0.01417 0.00290 0.00528 61 4ZZ -0.00553 -0.00274 0.01095 -0.00664 -0.00519 62 4XY 0.00754 0.00505 -0.00717 0.00352 0.00574 63 4XZ 0.00335 0.00719 0.00329 0.00103 0.00091 64 4YZ -0.00218 0.00159 0.00592 0.01577 -0.00276 65 5 C 1S -0.02636 0.00458 -0.02946 0.05861 0.03239 66 2S 0.04215 -0.01490 0.05787 -0.12714 -0.01552 67 2PX 0.02754 0.04362 0.01103 -0.05935 0.04245 68 2PY -0.07263 0.01282 -0.05513 0.14797 -0.04444 69 2PZ 0.12437 -0.05795 0.12291 -0.24979 0.14447 70 3S 0.03209 0.03260 0.08083 -0.11004 -0.05097 71 3PX 0.01472 0.02727 0.00770 -0.01813 0.01573 72 3PY -0.00348 0.02863 -0.01135 0.05759 -0.00835 73 3PZ 0.03294 -0.01440 0.04447 -0.08381 0.02338 74 4XX -0.00736 0.00145 -0.00524 0.01065 -0.00502 75 4YY -0.00155 0.00124 -0.01024 0.00043 -0.00101 76 4ZZ 0.00986 -0.00213 0.01099 -0.00213 0.00885 77 4XY -0.00014 -0.00472 0.00097 0.00119 -0.00205 78 4XZ 0.00230 0.01142 0.00202 -0.00333 -0.00248 79 4YZ -0.01016 0.00145 0.00160 0.01143 -0.01291 80 6 C 1S 0.00538 -0.00252 0.00778 -0.00794 0.01424 81 2S -0.01636 0.01496 -0.02307 0.01931 -0.01696 82 2PX -0.01260 0.00340 -0.02068 0.02434 -0.03188 83 2PY 0.03382 0.00404 0.02318 -0.03350 0.03926 84 2PZ -0.01058 -0.00307 0.00321 0.00577 -0.03262 85 3S -0.01987 -0.00819 -0.03746 0.02318 0.00249 86 3PX 0.00389 -0.00619 -0.00857 -0.02141 0.01540 87 3PY 0.02996 0.00478 0.03030 -0.02580 0.01988 88 3PZ -0.00087 -0.00523 0.01430 -0.00469 -0.00620 89 4XX -0.00101 0.00333 -0.00292 -0.00093 -0.00143 90 4YY 0.00073 -0.00352 0.00301 -0.00216 -0.00085 91 4ZZ 0.00071 0.00105 0.00004 0.00017 0.00068 92 4XY -0.00025 0.00095 -0.00132 0.00209 0.00011 93 4XZ 0.00139 0.00011 0.00188 -0.00395 0.00183 94 4YZ -0.00317 0.00408 -0.00515 0.00537 -0.00460 95 7 C 1S 0.00406 -0.00900 0.00943 0.00201 0.00390 96 2S -0.00590 0.02613 -0.01970 -0.00758 -0.01346 97 2PX 0.00071 0.01884 -0.01122 -0.01937 0.00006 98 2PY 0.01179 -0.03554 0.03285 0.00586 0.03109 99 2PZ -0.00389 0.02342 -0.01358 -0.01517 0.00813 100 3S -0.02118 0.03013 -0.05203 -0.00264 -0.02928 101 3PX 0.00089 -0.00169 -0.00762 -0.02047 0.00401 102 3PY 0.01098 0.00759 0.01259 -0.01358 0.01147 103 3PZ 0.00376 0.00651 -0.00319 -0.01734 0.00823 104 4XX 0.00065 0.00147 0.00008 -0.00108 0.00052 105 4YY -0.00119 -0.00194 0.00001 0.00095 -0.00161 106 4ZZ 0.00096 0.00107 0.00007 -0.00051 0.00165 107 4XY 0.00054 0.00000 0.00157 0.00201 0.00041 108 4XZ 0.00021 0.00123 -0.00025 -0.00043 0.00097 109 4YZ -0.00038 0.00248 -0.00133 0.00056 -0.00172 110 8 C 1S 0.00863 0.00497 0.01067 0.00415 -0.01134 111 2S -0.01928 -0.00895 -0.03077 -0.01314 -0.00355 112 2PX 0.01241 -0.01861 0.02299 0.02051 0.01617 113 2PY 0.03850 0.03791 0.03538 0.01720 0.05211 114 2PZ 0.00024 0.00827 -0.00846 -0.00098 0.04400 115 3S -0.02196 -0.04286 -0.04188 0.01104 -0.01466 116 3PX 0.00346 -0.03958 0.01562 0.00983 0.01015 117 3PY 0.01941 0.03618 0.03098 0.00661 0.03113 118 3PZ 0.00251 0.00828 -0.02461 -0.01063 0.03194 119 4XX 0.00063 -0.00289 0.00138 0.00199 0.00122 120 4YY 0.00220 0.00845 0.00232 0.00198 0.00123 121 4ZZ -0.00098 -0.00496 -0.00080 -0.00090 -0.00081 122 4XY 0.00264 -0.00623 0.00770 0.00548 0.00373 123 4XZ 0.00124 0.00846 -0.00123 -0.00205 0.00165 124 4YZ 0.00269 0.00418 0.00315 0.00266 0.00264 125 9 C 1S -0.03919 -0.03722 -0.04719 -0.06109 -0.00065 126 2S 0.06849 0.07183 0.09252 0.12469 0.02547 127 2PX -0.07791 0.18467 -0.16987 -0.19119 -0.07651 128 2PY -0.09991 -0.17523 -0.04485 -0.11329 -0.05111 129 2PZ -0.11587 -0.18689 -0.09180 -0.10886 -0.07557 130 3S 0.03232 0.07609 0.07790 0.08534 -0.00943 131 3PX -0.01993 0.15209 -0.08680 -0.08952 -0.02718 132 3PY -0.02373 -0.08400 0.00549 -0.03245 -0.00223 133 3PZ -0.03124 -0.10036 -0.01104 -0.00963 -0.01379 134 4XX -0.00199 -0.01115 -0.00059 0.00059 0.00023 135 4YY -0.00193 0.00002 -0.01363 -0.00006 0.00036 136 4ZZ 0.00180 0.00481 0.00597 -0.01085 0.00006 137 4XY 0.00411 -0.00375 -0.00049 0.00668 0.00367 138 4XZ 0.00583 -0.00382 0.00841 0.00241 0.00497 139 4YZ 0.00896 0.00895 0.00086 0.00517 0.00770 140 10 H 1S 0.11915 -0.08096 -0.24807 0.03334 0.11600 141 2S 0.02986 -0.07163 -0.20755 0.03302 0.04121 142 11 H 1S -0.01989 0.01700 0.00051 0.03898 -0.07209 143 2S -0.01930 0.02814 0.00227 0.06671 -0.06247 144 12 H 1S 0.01721 0.01802 0.01697 0.01817 0.04227 145 2S 0.02088 0.03323 0.03310 0.02327 0.02746 146 13 H 1S -0.02670 -0.01602 -0.00788 -0.04146 -0.03329 147 2S -0.02591 -0.02559 -0.00435 -0.08260 -0.02501 148 14 C 1S -0.00328 -0.00071 -0.00222 0.00669 -0.00602 149 2S 0.00728 0.00254 0.00529 -0.01582 0.01467 150 2PX 0.02227 -0.00702 0.01941 -0.03378 0.04872 151 2PY 0.00782 -0.01671 0.01240 -0.00307 -0.00785 152 2PZ -0.01511 0.02057 -0.01655 0.01723 -0.02329 153 3S 0.01612 -0.00660 0.01438 -0.04649 0.03066 154 3PX 0.01502 -0.00937 0.01879 -0.02494 0.02718 155 3PY 0.00378 -0.02026 0.00977 -0.00855 0.00384 156 3PZ -0.01390 0.01358 -0.01835 0.01129 -0.01839 157 4XX 0.00044 0.00003 0.00005 0.00019 0.00089 158 4YY -0.00086 -0.00017 -0.00037 0.00115 -0.00205 159 4ZZ -0.00015 0.00012 0.00026 -0.00013 -0.00034 160 4XY 0.00131 -0.00043 0.00130 -0.00196 0.00209 161 4XZ 0.00028 -0.00021 0.00049 -0.00060 0.00093 162 4YZ 0.00045 0.00017 0.00036 -0.00040 0.00040 163 15 H 1S -0.00539 -0.00096 -0.00434 0.01084 -0.02042 164 2S -0.00968 0.00745 -0.01158 0.02209 -0.02534 165 16 H 1S 0.00298 -0.00069 0.00338 -0.00623 0.00833 166 2S 0.00106 -0.00478 0.00536 -0.00144 0.00361 167 17 C 1S 0.00035 0.00444 -0.00186 -0.00055 -0.00230 168 2S -0.00148 -0.01068 0.00309 0.00187 0.00136 169 2PX -0.00150 -0.01998 0.00730 0.00713 -0.00416 170 2PY -0.00144 0.00895 -0.00781 -0.00051 -0.01169 171 2PZ 0.00034 0.01475 -0.00822 -0.00949 -0.00744 172 3S -0.00644 -0.03142 0.00683 0.01142 0.00134 173 3PX -0.00159 -0.00374 0.00458 0.01233 -0.00316 174 3PY -0.00092 0.00935 -0.00713 -0.00380 -0.00676 175 3PZ 0.00013 0.02102 -0.00842 -0.00524 -0.00691 176 4XX 0.00001 0.00067 -0.00022 -0.00001 -0.00024 177 4YY -0.00006 -0.00005 -0.00009 0.00005 0.00013 178 4ZZ 0.00009 -0.00069 0.00011 0.00014 -0.00037 179 4XY -0.00023 -0.00103 0.00006 0.00057 -0.00090 180 4XZ -0.00002 0.00033 -0.00019 0.00001 -0.00016 181 4YZ 0.00021 -0.00214 0.00110 0.00065 -0.00023 182 18 H 1S -0.00077 -0.00610 0.00056 0.00139 -0.00774 183 2S 0.00157 -0.01121 0.00501 0.00225 -0.00389 184 19 H 1S -0.00017 0.00999 -0.00406 -0.00211 0.00190 185 2S 0.00117 0.02266 -0.00579 -0.00296 0.00222 56 57 58 59 60 56 3PX 0.13215 57 3PY -0.04176 0.06900 58 3PZ -0.02131 0.00901 0.07555 59 4XX 0.00622 -0.00192 -0.00047 0.00093 60 4YY -0.00422 -0.00347 0.00122 -0.00008 0.00143 61 4ZZ -0.00245 0.00393 -0.00166 0.00013 -0.00069 62 4XY 0.00279 -0.00375 -0.00002 -0.00009 0.00039 63 4XZ 0.00353 -0.00037 -0.00067 0.00009 -0.00032 64 4YZ -0.00142 0.00244 0.00523 0.00002 -0.00015 65 5 C 1S 0.00197 0.01363 0.00298 0.00129 0.00113 66 2S 0.00067 0.00049 -0.02219 -0.00292 -0.00224 67 2PX 0.01764 0.00281 -0.02514 -0.00180 -0.00068 68 2PY 0.02254 -0.00690 0.07324 0.00341 0.00959 69 2PZ -0.02306 0.05223 -0.09074 -0.00641 -0.00121 70 3S 0.02292 -0.00790 -0.01571 -0.00117 -0.00430 71 3PX 0.01100 -0.00142 -0.01075 -0.00067 -0.00057 72 3PY 0.01618 -0.00888 0.02145 0.00106 0.00383 73 3PZ -0.00482 0.01184 -0.02049 -0.00171 -0.00112 74 4XX 0.00136 -0.00044 0.00583 0.00025 0.00015 75 4YY 0.00207 -0.00443 -0.00080 0.00025 0.00037 76 4ZZ -0.00380 0.00404 -0.00264 -0.00049 -0.00033 77 4XY -0.00489 -0.00013 -0.00007 -0.00018 -0.00005 78 4XZ 0.00692 -0.00286 -0.00225 0.00023 -0.00061 79 4YZ 0.00066 0.00014 0.00641 0.00039 -0.00026 80 6 C 1S -0.00733 0.01029 -0.00909 -0.00119 -0.00089 81 2S 0.02256 -0.01381 0.01619 0.00178 0.00174 82 2PX 0.00378 -0.01926 0.01704 0.00016 0.00345 83 2PY -0.02321 0.00150 -0.04077 -0.00199 -0.00481 84 2PZ -0.00674 -0.00207 0.02239 0.00042 -0.00112 85 3S 0.00835 -0.00357 0.01733 0.00148 0.00267 86 3PX 0.00004 -0.00253 -0.01566 -0.00051 0.00066 87 3PY -0.01201 0.00268 -0.02277 -0.00130 -0.00165 88 3PZ -0.00491 0.00690 0.00580 0.00000 -0.00103 89 4XX 0.00232 -0.00161 0.00040 0.00015 0.00002 90 4YY -0.00191 0.00115 0.00057 -0.00011 -0.00002 91 4ZZ -0.00021 -0.00018 -0.00177 -0.00007 -0.00014 92 4XY -0.00026 -0.00055 0.00023 0.00006 -0.00017 93 4XZ 0.00006 0.00046 -0.00230 -0.00009 -0.00015 94 4YZ 0.00251 -0.00275 0.00230 0.00027 0.00004 95 7 C 1S -0.00598 0.00514 0.00188 -0.00023 0.00008 96 2S 0.01558 -0.01636 -0.00605 0.00074 -0.00069 97 2PX 0.02102 -0.01125 -0.00091 0.00017 -0.00017 98 2PY -0.02382 0.02896 0.01071 -0.00049 0.00066 99 2PZ 0.02587 0.00071 -0.02161 0.00024 0.00059 100 3S 0.01846 -0.02821 -0.00512 0.00149 -0.00114 101 3PX 0.00256 -0.00322 -0.00288 0.00004 0.00101 102 3PY 0.00342 0.00542 -0.00604 0.00008 -0.00116 103 3PZ 0.00541 0.00268 -0.01907 0.00005 0.00009 104 4XX 0.00070 -0.00016 -0.00074 0.00007 -0.00029 105 4YY -0.00075 0.00056 0.00146 0.00003 0.00035 106 4ZZ 0.00072 -0.00022 -0.00102 -0.00005 -0.00003 107 4XY -0.00017 0.00049 0.00216 -0.00002 -0.00013 108 4XZ 0.00111 -0.00020 -0.00017 -0.00002 -0.00008 109 4YZ 0.00127 -0.00135 0.00013 0.00016 -0.00010 110 8 C 1S -0.00168 -0.00828 0.00594 -0.00036 -0.00173 111 2S 0.00179 -0.00276 -0.00936 0.00086 0.00376 112 2PX -0.02407 0.01697 0.01845 0.00120 -0.00368 113 2PY 0.02827 0.00587 0.02047 -0.00145 -0.00967 114 2PZ 0.02452 0.01084 0.00719 -0.00119 0.00218 115 3S -0.02335 0.00071 -0.00141 0.00115 0.00401 116 3PX -0.03246 0.01870 0.00937 0.00032 -0.00124 117 3PY 0.02909 0.00589 0.01141 -0.00067 -0.00520 118 3PZ 0.01745 -0.00215 -0.00525 -0.00070 0.00200 119 4XX -0.00221 0.00104 0.00032 -0.00016 -0.00014 120 4YY 0.00457 -0.00005 -0.00033 0.00013 0.00003 121 4ZZ -0.00299 0.00006 0.00098 -0.00002 -0.00022 122 4XY -0.00482 0.00425 0.00293 -0.00038 0.00010 123 4XZ 0.00632 -0.00182 -0.00047 0.00011 -0.00018 124 4YZ 0.00215 0.00080 0.00123 -0.00001 -0.00023 125 9 C 1S -0.00440 -0.00522 -0.01173 0.00072 0.00074 126 2S 0.01371 0.02320 0.02955 -0.00192 -0.00201 127 2PX 0.14482 -0.09002 -0.09205 0.01100 -0.00067 128 2PY -0.08400 0.02070 -0.03602 -0.00090 0.01232 129 2PZ -0.08443 -0.00192 -0.01783 0.00017 -0.00165 130 3S 0.02283 0.01184 0.01777 -0.00032 -0.00402 131 3PX 0.10895 -0.05614 -0.04672 0.00648 -0.00107 132 3PY -0.04160 0.01848 -0.00142 -0.00183 0.00420 133 3PZ -0.05522 0.01423 0.00807 -0.00157 0.00050 134 4XX -0.00645 0.00167 0.00169 -0.00019 0.00022 135 4YY 0.00223 -0.00453 -0.00025 0.00017 0.00078 136 4ZZ 0.00265 0.00061 -0.00436 0.00005 -0.00077 137 4XY -0.00304 0.00056 0.00283 -0.00021 0.00033 138 4XZ -0.00350 0.00344 0.00117 -0.00044 -0.00025 139 4YZ 0.00484 -0.00133 0.00149 -0.00014 -0.00011 140 10 H 1S -0.02743 -0.08431 0.00931 -0.00405 0.01309 141 2S -0.02035 -0.06346 0.01476 -0.00099 0.01145 142 11 H 1S 0.00184 -0.01996 0.01766 0.00116 -0.00429 143 2S 0.00380 -0.01767 0.02388 0.00148 -0.00351 144 12 H 1S 0.01703 0.01258 0.01689 -0.00053 -0.00245 145 2S 0.02033 0.00918 0.01841 -0.00055 -0.00317 146 13 H 1S -0.00657 -0.00224 -0.01429 0.00085 -0.00540 147 2S -0.00834 -0.00025 -0.02845 0.00062 -0.00502 148 14 C 1S -0.00018 -0.00036 0.00501 0.00007 0.00043 149 2S 0.00155 0.00208 -0.01130 -0.00017 -0.00084 150 2PX -0.00319 0.01233 -0.03646 -0.00106 -0.00165 151 2PY -0.01595 -0.00212 -0.00392 -0.00099 0.00040 152 2PZ 0.01839 -0.00655 0.02413 0.00205 -0.00022 153 3S -0.00337 0.00714 -0.02778 -0.00105 -0.00136 154 3PX -0.00681 0.00888 -0.02555 -0.00113 -0.00125 155 3PY -0.01465 0.00377 -0.00734 -0.00096 0.00000 156 3PZ 0.01258 -0.00684 0.01720 0.00141 -0.00003 157 4XX 0.00009 -0.00014 -0.00059 -0.00002 0.00004 158 4YY 0.00002 -0.00039 0.00131 0.00003 0.00009 159 4ZZ -0.00015 0.00018 0.00026 0.00000 -0.00006 160 4XY -0.00102 0.00058 -0.00164 -0.00011 -0.00016 161 4XZ -0.00019 0.00040 -0.00034 0.00000 -0.00010 162 4YZ -0.00043 -0.00011 -0.00075 -0.00005 -0.00006 163 15 H 1S -0.00093 -0.00666 0.01138 0.00026 0.00085 164 2S 0.00672 -0.00934 0.01556 0.00078 0.00127 165 16 H 1S -0.00315 0.00234 -0.00601 -0.00048 -0.00046 166 2S -0.00725 0.00277 -0.00305 -0.00053 -0.00085 167 17 C 1S 0.00248 -0.00324 -0.00061 -0.00010 -0.00036 168 2S -0.00653 0.00578 0.00228 0.00014 0.00076 169 2PX -0.01525 0.00333 0.01852 -0.00008 0.00103 170 2PY 0.00688 -0.01228 0.00455 -0.00024 -0.00058 171 2PZ 0.00453 -0.00723 -0.02212 0.00052 -0.00082 172 3S -0.01749 0.01159 0.01025 -0.00027 0.00289 173 3PX -0.00154 0.00053 0.01724 -0.00005 0.00075 174 3PY 0.00615 -0.00763 0.00106 0.00012 -0.00075 175 3PZ 0.01092 -0.00789 -0.01574 0.00067 -0.00106 176 4XX 0.00064 -0.00038 0.00023 0.00000 -0.00006 177 4YY -0.00015 0.00010 -0.00034 0.00000 -0.00001 178 4ZZ -0.00067 -0.00018 0.00018 -0.00002 -0.00001 179 4XY -0.00126 0.00002 -0.00010 0.00001 0.00003 180 4XZ 0.00024 -0.00016 -0.00018 0.00000 -0.00001 181 4YZ -0.00205 0.00045 0.00085 -0.00003 0.00001 182 18 H 1S -0.00789 -0.00229 0.00071 0.00005 0.00006 183 2S -0.01285 0.00010 0.00047 -0.00027 -0.00022 184 19 H 1S 0.01100 -0.00252 -0.00116 -0.00005 -0.00023 185 2S 0.01997 -0.00608 -0.00229 0.00010 -0.00065 61 62 63 64 65 61 4ZZ 0.00137 62 4XY -0.00054 0.00061 63 4XZ 0.00005 0.00003 0.00047 64 4YZ -0.00003 0.00012 0.00007 0.00099 65 5 C 1S -0.00453 0.00167 -0.00120 0.00373 2.05286 66 2S 0.00875 -0.00305 0.00200 -0.00794 -0.05500 67 2PX 0.00214 0.00324 -0.00629 -0.00202 0.01816 68 2PY -0.01034 -0.00031 -0.00101 -0.00183 0.00545 69 2PZ 0.00000 -0.00338 0.00002 -0.01202 -0.00052 70 3S 0.00813 -0.00339 0.00426 -0.00754 -0.22671 71 3PX 0.00031 0.00131 -0.00200 -0.00028 0.00675 72 3PY -0.00478 0.00105 0.00063 -0.00066 -0.01770 73 3PZ 0.00063 -0.00137 -0.00005 -0.00459 -0.02626 74 4XX -0.00014 0.00021 -0.00058 0.00029 -0.01358 75 4YY -0.00042 0.00010 0.00014 -0.00012 -0.01510 76 4ZZ 0.00025 -0.00004 0.00026 0.00028 -0.01550 77 4XY 0.00049 0.00007 -0.00016 0.00034 -0.00046 78 4XZ 0.00014 0.00019 0.00043 0.00013 -0.00147 79 4YZ 0.00015 -0.00025 0.00016 0.00055 -0.00179 80 6 C 1S 0.00055 0.00038 -0.00019 0.00073 0.01244 81 2S -0.00195 -0.00080 0.00069 -0.00181 -0.02543 82 2PX -0.00240 -0.00121 0.00133 -0.00211 -0.03519 83 2PY 0.00502 0.00292 -0.00291 0.00556 0.05578 84 2PZ -0.00101 -0.00247 0.00087 0.00018 0.01276 85 3S -0.00376 -0.00110 -0.00016 -0.00191 0.02320 86 3PX 0.00042 -0.00008 -0.00046 -0.00076 0.01715 87 3PY 0.00234 0.00120 -0.00016 0.00102 -0.01535 88 3PZ 0.00013 -0.00131 0.00031 -0.00019 0.00703 89 4XX -0.00008 0.00014 -0.00010 -0.00011 0.00094 90 4YY 0.00015 -0.00018 0.00015 -0.00020 -0.00478 91 4ZZ 0.00014 0.00008 -0.00006 0.00022 0.00167 92 4XY -0.00001 0.00012 -0.00002 0.00037 0.00411 93 4XZ 0.00012 0.00000 -0.00006 -0.00001 0.00144 94 4YZ -0.00012 0.00007 0.00009 0.00017 -0.00072 95 7 C 1S -0.00008 0.00019 0.00003 -0.00022 -0.00317 96 2S 0.00030 -0.00025 0.00022 0.00035 0.00695 97 2PX 0.00094 0.00031 0.00019 -0.00120 -0.00474 98 2PY -0.00077 0.00093 -0.00029 -0.00082 -0.00994 99 2PZ -0.00022 -0.00072 0.00049 -0.00215 -0.00758 100 3S 0.00118 -0.00036 0.00011 0.00108 0.00137 101 3PX -0.00018 -0.00026 0.00033 -0.00162 -0.01583 102 3PY 0.00044 0.00151 -0.00061 0.00005 0.01412 103 3PZ -0.00006 -0.00064 0.00048 -0.00167 -0.00465 104 4XX 0.00016 -0.00003 0.00008 -0.00005 0.00067 105 4YY -0.00034 0.00005 0.00001 -0.00005 -0.00125 106 4ZZ 0.00007 0.00007 -0.00003 0.00003 -0.00040 107 4XY 0.00002 -0.00009 0.00001 0.00006 0.00024 108 4XZ 0.00007 0.00001 -0.00005 0.00009 0.00069 109 4YZ -0.00006 -0.00008 0.00012 -0.00019 -0.00084 110 8 C 1S 0.00122 -0.00127 0.00025 -0.00041 -0.00504 111 2S -0.00274 0.00234 -0.00044 0.00101 0.00467 112 2PX 0.00003 -0.00100 0.00142 -0.00186 -0.00231 113 2PY 0.00664 -0.00548 0.00083 -0.00304 -0.00721 114 2PZ -0.00116 0.00039 -0.00156 0.00061 -0.00530 115 3S -0.00345 0.00357 -0.00143 0.00101 0.04117 116 3PX -0.00016 -0.00141 0.00120 -0.00121 -0.00970 117 3PY 0.00324 -0.00278 0.00104 -0.00073 -0.01057 118 3PZ -0.00088 -0.00015 -0.00074 -0.00024 -0.01343 119 4XX 0.00018 -0.00027 -0.00004 0.00002 -0.00031 120 4YY -0.00027 0.00035 0.00026 0.00023 -0.00048 121 4ZZ 0.00031 -0.00021 -0.00007 -0.00016 -0.00110 122 4XY 0.00003 -0.00005 -0.00010 0.00037 0.00025 123 4XZ -0.00007 0.00004 0.00009 -0.00012 0.00005 124 4YZ -0.00015 0.00000 0.00002 -0.00006 -0.00061 125 9 C 1S -0.00136 -0.00221 -0.00310 -0.00445 -0.00303 126 2S 0.00150 0.00420 0.00580 0.00899 0.00757 127 2PX -0.00330 0.00314 0.00377 -0.00935 -0.00791 128 2PY -0.00363 0.00070 -0.00680 -0.00071 0.00058 129 2PZ 0.01188 -0.00810 -0.00302 -0.00593 -0.00849 130 3S 0.00323 0.00254 0.00565 0.00799 -0.01437 131 3PX -0.00324 0.00275 0.00340 -0.00495 -0.00178 132 3PY -0.00059 -0.00048 -0.00298 0.00015 -0.00580 133 3PZ 0.00443 -0.00291 -0.00188 -0.00076 0.00913 134 4XX 0.00001 -0.00030 -0.00034 -0.00013 0.00016 135 4YY -0.00066 0.00033 -0.00022 -0.00009 0.00107 136 4ZZ 0.00073 -0.00028 0.00029 -0.00046 -0.00205 137 4XY -0.00034 0.00025 -0.00004 0.00025 0.00071 138 4XZ 0.00039 -0.00018 0.00013 0.00016 -0.00067 139 4YZ -0.00038 0.00028 0.00012 0.00006 -0.00006 140 10 H 1S -0.00966 0.00700 -0.00231 -0.00323 0.01308 141 2S -0.00835 0.00472 -0.00295 -0.00218 0.01907 142 11 H 1S 0.00615 -0.00027 0.00310 0.00448 -0.05948 143 2S 0.00312 0.00081 0.00230 0.00584 -0.01744 144 12 H 1S 0.00049 -0.00089 -0.00001 -0.00037 -0.00262 145 2S 0.00081 -0.00061 0.00010 0.00020 -0.00053 146 13 H 1S 0.00862 -0.00328 0.00266 -0.00177 -0.00755 147 2S 0.00757 -0.00397 0.00135 -0.00399 -0.01275 148 14 C 1S -0.00030 -0.00036 0.00042 -0.00017 -0.00469 149 2S 0.00072 0.00081 -0.00091 0.00020 0.00917 150 2PX 0.00311 0.00167 -0.00170 0.00091 0.00985 151 2PY 0.00088 -0.00029 0.00047 -0.00012 -0.01292 152 2PZ -0.00132 0.00001 0.00052 0.00005 0.00351 153 3S 0.00217 0.00068 -0.00161 -0.00009 0.02467 154 3PX 0.00248 0.00056 -0.00083 0.00055 0.00599 155 3PY 0.00105 -0.00041 -0.00024 0.00003 -0.00091 156 3PZ -0.00091 -0.00006 0.00023 0.00015 0.00808 157 4XX 0.00003 0.00005 -0.00001 0.00002 -0.00067 158 4YY -0.00012 -0.00008 0.00010 -0.00008 -0.00120 159 4ZZ 0.00000 -0.00006 0.00000 0.00002 0.00073 160 4XY 0.00018 0.00006 -0.00012 0.00014 0.00199 161 4XZ 0.00006 0.00000 -0.00005 0.00007 0.00126 162 4YZ 0.00007 0.00004 -0.00004 0.00008 0.00080 163 15 H 1S -0.00090 -0.00045 0.00078 -0.00058 -0.01049 164 2S -0.00160 -0.00043 0.00130 -0.00078 -0.01635 165 16 H 1S 0.00022 0.00005 -0.00050 0.00032 0.00821 166 2S 0.00073 -0.00019 -0.00041 0.00089 0.00906 167 17 C 1S 0.00027 -0.00016 0.00005 0.00021 0.00127 168 2S -0.00068 0.00034 -0.00011 -0.00036 -0.00317 169 2PX -0.00063 0.00073 -0.00068 0.00085 0.00111 170 2PY 0.00095 -0.00003 -0.00031 0.00104 0.00646 171 2PZ 0.00054 -0.00059 0.00070 -0.00082 0.00093 172 3S -0.00207 -0.00056 0.00026 -0.00099 -0.01522 173 3PX -0.00069 0.00059 -0.00044 0.00086 0.00104 174 3PY 0.00070 0.00046 -0.00040 0.00081 0.00777 175 3PZ 0.00052 -0.00016 0.00064 -0.00069 0.00087 176 4XX 0.00004 -0.00002 0.00002 -0.00001 0.00000 177 4YY 0.00002 -0.00003 0.00000 0.00001 0.00019 178 4ZZ 0.00003 0.00002 -0.00002 0.00006 0.00010 179 4XY -0.00003 0.00000 -0.00001 0.00006 0.00014 180 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00005 181 4YZ 0.00000 0.00004 -0.00004 0.00010 0.00041 182 18 H 1S 0.00011 0.00015 -0.00017 0.00047 0.00275 183 2S 0.00044 -0.00003 -0.00024 0.00085 0.00395 184 19 H 1S 0.00022 -0.00015 0.00011 -0.00029 -0.00128 185 2S 0.00041 -0.00016 0.00029 -0.00044 -0.00145 66 67 68 69 70 66 2S 0.32326 67 2PX -0.03013 0.32028 68 2PY -0.01106 -0.02480 0.42277 69 2PZ 0.00538 0.04783 0.01903 0.42071 70 3S 0.31373 -0.08027 0.02852 0.01150 0.39321 71 3PX -0.02536 0.11168 -0.01014 0.02329 -0.03264 72 3PY 0.00640 -0.01452 0.16876 0.00792 0.04866 73 3PZ 0.02312 0.02094 0.01466 0.14006 0.04078 74 4XX -0.00684 0.01662 0.00671 -0.00952 -0.01137 75 4YY -0.00423 -0.00911 0.00690 -0.00131 0.00045 76 4ZZ -0.00281 -0.00177 -0.01461 0.00494 -0.00262 77 4XY 0.00155 0.00696 -0.01134 -0.00992 0.00097 78 4XZ 0.00312 -0.01065 -0.01111 -0.00310 0.00904 79 4YZ 0.00402 -0.01155 -0.00003 -0.01600 0.00557 80 6 C 1S -0.02021 0.03021 -0.06049 -0.00937 -0.01197 81 2S 0.04041 -0.06233 0.12721 0.01489 0.02109 82 2PX 0.06691 -0.05318 0.15209 0.00373 0.13220 83 2PY -0.11573 0.14672 -0.24299 -0.04297 -0.14570 84 2PZ -0.02703 0.01300 -0.06152 0.01711 -0.03808 85 3S -0.01278 -0.03546 0.12528 0.03982 -0.04591 86 3PX -0.00466 0.00822 0.01613 0.02044 -0.01797 87 3PY -0.00035 0.04324 -0.06495 -0.00455 0.01869 88 3PZ -0.01274 0.01123 -0.03068 0.02139 -0.03359 89 4XX -0.00141 0.00693 0.00050 -0.00018 -0.00213 90 4YY 0.00913 -0.00754 0.00098 0.00122 0.01258 91 4ZZ -0.00374 0.00389 -0.00787 -0.00323 -0.00401 92 4XY -0.00872 0.00170 -0.01053 -0.00369 -0.01018 93 4XZ -0.00291 0.00222 -0.00441 0.00470 -0.00469 94 4YZ 0.00110 -0.00239 0.00077 -0.00989 0.00159 95 7 C 1S 0.00731 -0.00563 0.01298 0.00672 0.00582 96 2S -0.01769 0.01126 -0.03195 -0.01200 -0.00400 97 2PX 0.01057 -0.00237 0.01599 0.01164 0.01164 98 2PY 0.02718 -0.02505 0.04443 0.02014 0.06726 99 2PZ 0.02359 -0.01084 0.03762 0.00985 0.02197 100 3S -0.02361 0.01888 -0.07343 -0.05885 -0.02861 101 3PX 0.01814 -0.00498 0.03504 0.02038 0.03047 102 3PY -0.01285 0.02611 -0.02458 0.01582 -0.02281 103 3PZ 0.00816 0.00202 0.01833 0.02007 0.00523 104 4XX -0.00158 0.00055 -0.00504 0.00020 -0.00306 105 4YY 0.00197 -0.00370 0.00694 0.00190 0.00281 106 4ZZ 0.00059 0.00098 0.00051 -0.00064 0.00017 107 4XY -0.00017 0.00021 -0.00074 0.00018 -0.00157 108 4XZ -0.00128 0.00176 -0.00351 -0.00111 -0.00324 109 4YZ 0.00149 -0.00189 0.00525 0.00132 0.00326 110 8 C 1S 0.00530 0.00395 0.00245 0.00690 0.03947 111 2S -0.01763 -0.01132 -0.00878 -0.01991 -0.03256 112 2PX 0.00260 -0.03113 0.01303 0.02459 0.02616 113 2PY 0.02057 0.01981 -0.02172 0.03057 0.02444 114 2PZ 0.02355 0.02111 0.02585 -0.01235 0.00285 115 3S -0.04322 -0.01238 -0.01135 -0.02237 -0.06837 116 3PX 0.00203 -0.04218 0.00766 0.02052 0.00932 117 3PY 0.01309 -0.00860 -0.01906 0.01635 0.00948 118 3PZ 0.01839 0.00746 0.01673 -0.01699 0.00895 119 4XX -0.00074 0.00015 -0.00152 -0.00034 -0.00201 120 4YY -0.00003 -0.00087 0.00220 -0.00152 0.00146 121 4ZZ 0.00046 -0.00013 -0.00177 0.00136 0.00070 122 4XY -0.00039 0.00011 -0.00002 0.00041 -0.00228 123 4XZ 0.00067 0.00199 0.00030 0.00113 0.00051 124 4YZ 0.00111 0.00062 0.00200 0.00072 0.00208 125 9 C 1S 0.00936 0.00378 -0.00118 0.01633 -0.00020 126 2S -0.02039 -0.00939 0.00725 -0.03987 -0.00559 127 2PX 0.01806 -0.00328 0.01183 0.02867 0.04349 128 2PY 0.00422 0.00268 -0.00616 0.01570 -0.04000 129 2PZ 0.03063 0.00756 -0.01966 0.04684 0.01035 130 3S -0.00670 -0.03346 -0.04283 -0.06277 0.01037 131 3PX 0.00713 -0.00429 0.02317 0.02031 0.02923 132 3PY 0.00616 0.00344 -0.00387 0.02196 -0.01654 133 3PZ 0.00345 0.01482 0.00944 0.02122 -0.00977 134 4XX -0.00001 -0.00153 0.00085 0.00060 -0.00112 135 4YY -0.00221 -0.00092 0.00313 -0.00626 -0.00413 136 4ZZ 0.00456 0.00339 -0.00422 0.01097 0.00638 137 4XY -0.00167 -0.00180 0.00173 -0.00237 -0.00172 138 4XZ 0.00143 0.00010 -0.00175 0.00492 0.00100 139 4YZ -0.00004 0.00146 0.00051 -0.00128 0.00086 140 10 H 1S -0.02849 -0.00531 0.03808 -0.03177 -0.05365 141 2S -0.03209 -0.00944 0.06806 -0.04769 -0.05336 142 11 H 1S 0.11622 -0.11224 -0.15750 -0.20144 0.12395 143 2S 0.03247 -0.08026 -0.12889 -0.16743 0.04703 144 12 H 1S 0.00955 0.00607 0.00422 0.00389 0.00456 145 2S 0.00913 0.02000 0.00168 0.00591 0.01244 146 13 H 1S 0.01853 0.00455 -0.01766 0.03851 0.02656 147 2S 0.02582 0.00965 -0.02977 0.06789 0.02941 148 14 C 1S 0.01033 -0.01182 0.01145 -0.00478 0.01730 149 2S -0.02123 0.02735 -0.02360 0.01251 -0.03481 150 2PX -0.02175 0.02768 -0.04347 0.01168 -0.06857 151 2PY 0.02779 -0.01837 0.01416 -0.00404 0.08433 152 2PZ -0.00579 -0.00218 -0.01204 -0.01820 -0.02929 153 3S -0.03551 0.06004 -0.06106 0.03572 -0.07354 154 3PX -0.00851 0.01462 -0.03578 0.00893 -0.02870 155 3PY 0.00763 -0.00531 -0.00263 0.00454 0.02566 156 3PZ -0.00849 0.00518 -0.01759 -0.01826 -0.02874 157 4XX 0.00086 -0.00122 0.00268 -0.00044 0.00116 158 4YY 0.00249 -0.00347 0.00372 0.00000 0.00577 159 4ZZ -0.00146 0.00165 -0.00312 0.00039 -0.00285 160 4XY -0.00386 0.00587 -0.00796 0.00030 -0.00625 161 4XZ -0.00244 0.00184 -0.00389 0.00053 -0.00559 162 4YZ -0.00139 0.00234 -0.00287 -0.00078 -0.00079 163 15 H 1S 0.02131 -0.02393 0.03319 -0.00456 0.06250 164 2S 0.03163 -0.04589 0.05958 -0.01194 0.07553 165 16 H 1S -0.01827 0.02230 -0.02101 0.00784 -0.02848 166 2S -0.01742 0.01955 -0.03987 -0.00532 -0.02912 167 17 C 1S -0.00405 0.00473 -0.00920 -0.00287 -0.00621 168 2S 0.00691 -0.01062 0.01916 0.00570 0.01782 169 2PX -0.00149 0.00289 -0.00236 -0.00310 -0.00645 170 2PY -0.01628 0.02216 -0.03496 -0.01108 -0.05685 171 2PZ -0.00202 -0.00109 -0.00266 0.00250 -0.01604 172 3S 0.02855 -0.04196 0.07695 0.01571 0.05512 173 3PX 0.00140 0.00010 0.00497 -0.00768 -0.00090 174 3PY -0.01675 0.02240 -0.03929 -0.01030 -0.04215 175 3PZ -0.00028 -0.00202 0.00030 -0.00053 -0.00208 176 4XX -0.00021 0.00008 -0.00044 0.00011 -0.00104 177 4YY -0.00029 0.00031 -0.00073 -0.00036 0.00032 178 4ZZ -0.00071 0.00060 -0.00139 -0.00040 -0.00173 179 4XY -0.00075 0.00030 -0.00128 -0.00077 -0.00170 180 4XZ -0.00009 0.00033 -0.00027 -0.00016 -0.00084 181 4YZ -0.00095 0.00031 -0.00185 -0.00038 -0.00090 182 18 H 1S -0.00674 0.00540 -0.01289 -0.00396 -0.02370 183 2S -0.01053 0.00882 -0.02615 -0.00713 -0.02666 184 19 H 1S 0.00251 0.00035 0.00468 0.00163 0.00195 185 2S 0.00483 0.00151 0.00751 0.00078 0.00606 71 72 73 74 75 71 3PX 0.05087 72 3PY -0.00330 0.08744 73 3PZ 0.00859 0.00992 0.06499 74 4XX 0.00383 -0.00026 -0.00213 0.00263 75 4YY -0.00175 0.00362 -0.00081 -0.00066 0.00121 76 4ZZ -0.00003 -0.00485 -0.00033 -0.00074 -0.00021 77 4XY 0.00130 -0.00254 -0.00203 0.00010 -0.00033 78 4XZ -0.00250 -0.00194 0.00006 -0.00099 0.00045 79 4YZ -0.00378 -0.00104 -0.00345 0.00010 0.00001 80 6 C 1S 0.00368 -0.01167 -0.00402 0.00017 -0.00420 81 2S -0.01262 0.02730 0.00158 -0.00059 0.00778 82 2PX 0.01651 0.08687 0.02302 -0.01136 0.00974 83 2PY 0.07627 -0.09453 -0.02885 -0.00027 0.00006 84 2PZ 0.00656 -0.03910 0.03462 0.00090 -0.00355 85 3S -0.00068 0.01759 0.00242 0.00037 0.00630 86 3PX 0.01505 0.00159 -0.00450 -0.00296 0.00343 87 3PY 0.02316 -0.00431 -0.00159 -0.00407 0.00132 88 3PZ -0.00263 -0.02544 0.01342 0.00216 -0.00313 89 4XX 0.00130 -0.00028 0.00156 0.00068 -0.00037 90 4YY -0.00314 0.00160 0.00156 -0.00059 0.00000 91 4ZZ 0.00260 -0.00181 -0.00212 -0.00003 -0.00007 92 4XY 0.00106 -0.00474 -0.00067 0.00006 -0.00003 93 4XZ 0.00227 -0.00235 0.00099 -0.00015 0.00015 94 4YZ -0.00081 0.00042 -0.00228 0.00013 0.00021 95 7 C 1S -0.00723 0.00647 0.00022 0.00062 -0.00114 96 2S 0.01289 -0.01099 0.00138 -0.00166 0.00238 97 2PX -0.00288 -0.00421 0.01085 -0.00024 -0.00087 98 2PY -0.04402 0.03467 0.00740 0.00232 -0.00320 99 2PZ -0.02119 0.02374 -0.02507 0.00379 -0.00391 100 3S 0.02090 -0.03541 -0.01496 -0.00070 0.00207 101 3PX -0.00253 0.01327 0.01200 -0.00260 0.00118 102 3PY 0.00154 -0.01413 0.00436 0.00325 -0.00214 103 3PZ -0.00327 0.01360 -0.01027 0.00053 -0.00123 104 4XX -0.00017 -0.00265 -0.00013 0.00017 -0.00025 105 4YY -0.00214 0.00280 0.00163 0.00004 -0.00005 106 4ZZ 0.00146 0.00053 -0.00131 -0.00023 0.00033 107 4XY -0.00006 -0.00185 0.00090 0.00008 -0.00001 108 4XZ 0.00105 -0.00265 -0.00091 0.00000 0.00009 109 4YZ 0.00049 0.00271 0.00105 -0.00021 0.00039 110 8 C 1S 0.00558 0.01028 0.01399 -0.00096 -0.00050 111 2S -0.00524 -0.00661 -0.01419 0.00026 0.00022 112 2PX -0.01665 0.01263 0.02084 -0.00057 0.00002 113 2PY 0.00691 -0.02394 0.01054 0.00022 -0.00114 114 2PZ -0.00688 0.00042 -0.02092 0.00089 0.00181 115 3S -0.00922 -0.00658 -0.00770 0.00441 -0.00201 116 3PX -0.01763 0.00343 0.01009 -0.00198 -0.00007 117 3PY -0.00545 -0.02245 0.00045 0.00026 -0.00090 118 3PZ -0.00100 0.00276 -0.02451 -0.00171 0.00254 119 4XX 0.00081 -0.00110 -0.00163 -0.00005 -0.00008 120 4YY -0.00107 0.00196 -0.00085 -0.00004 0.00001 121 4ZZ -0.00006 -0.00142 0.00185 0.00001 0.00009 122 4XY -0.00005 -0.00049 -0.00025 -0.00003 -0.00017 123 4XZ 0.00109 -0.00052 0.00096 -0.00015 0.00024 124 4YZ 0.00013 0.00177 0.00031 0.00009 -0.00006 125 9 C 1S -0.00026 -0.00502 0.00568 0.00000 0.00110 126 2S -0.00201 0.01099 -0.01564 -0.00016 -0.00166 127 2PX -0.00192 0.01154 0.01736 -0.00261 0.00679 128 2PY -0.00875 -0.01115 -0.00624 0.00005 0.00022 129 2PZ -0.00719 -0.04683 0.02267 0.00131 0.00178 130 3S -0.01303 -0.01182 -0.02105 -0.00135 -0.00108 131 3PX -0.00216 0.01643 0.01332 -0.00152 0.00394 132 3PY -0.00457 -0.01236 0.00395 0.00097 -0.00102 133 3PZ 0.00175 -0.01259 0.00932 0.00149 -0.00027 134 4XX -0.00075 -0.00035 0.00012 0.00001 -0.00003 135 4YY -0.00056 0.00079 -0.00306 0.00017 0.00038 136 4ZZ 0.00145 -0.00157 0.00466 -0.00035 -0.00012 137 4XY -0.00095 0.00122 -0.00067 0.00011 -0.00002 138 4XZ 0.00010 -0.00106 0.00137 -0.00025 -0.00022 139 4YZ 0.00075 0.00147 -0.00077 -0.00003 0.00003 140 10 H 1S -0.00448 0.01517 -0.01678 0.00164 0.00526 141 2S -0.00766 0.02095 -0.01945 0.00380 0.00439 142 11 H 1S -0.04397 -0.05275 -0.05732 -0.00542 -0.00030 143 2S -0.02648 -0.03893 -0.04224 -0.00339 0.00046 144 12 H 1S -0.00403 -0.00505 -0.00194 0.00033 0.00046 145 2S 0.00541 -0.00029 0.00822 0.00039 0.00029 146 13 H 1S -0.00044 -0.02199 0.02020 -0.00061 0.00055 147 2S 0.00278 -0.02441 0.02813 -0.00149 0.00010 148 14 C 1S -0.00283 0.00463 -0.00031 -0.00154 0.00050 149 2S 0.00536 -0.00946 -0.00001 0.00315 -0.00102 150 2PX 0.01152 -0.03297 -0.03721 0.00192 0.00229 151 2PY 0.01018 0.02349 -0.00730 -0.00697 0.00334 152 2PZ -0.02870 -0.03608 -0.00261 0.00787 -0.00511 153 3S 0.01563 -0.03349 -0.00062 0.00389 -0.00257 154 3PX 0.01058 -0.01731 -0.02043 -0.00070 0.00135 155 3PY 0.01033 0.00520 -0.00672 -0.00373 0.00212 156 3PZ -0.01706 -0.02737 0.00132 0.00543 -0.00386 157 4XX 0.00042 0.00109 -0.00132 -0.00023 0.00037 158 4YY -0.00115 0.00260 0.00137 -0.00026 0.00001 159 4ZZ 0.00041 -0.00168 0.00087 0.00012 -0.00020 160 4XY 0.00293 -0.00310 0.00005 0.00002 -0.00006 161 4XZ 0.00023 -0.00272 -0.00004 0.00028 -0.00011 162 4YZ 0.00174 0.00009 0.00016 -0.00014 0.00007 163 15 H 1S -0.00623 0.02448 0.00725 -0.00235 0.00047 164 2S -0.01510 0.03522 0.00377 -0.00262 0.00122 165 16 H 1S 0.01224 0.00106 0.01211 0.00019 -0.00036 166 2S 0.01250 -0.00988 0.00671 -0.00038 -0.00031 167 17 C 1S 0.00700 -0.00481 0.00115 -0.00045 0.00041 168 2S -0.01431 0.01217 0.00067 0.00085 -0.00092 169 2PX -0.00533 -0.01327 0.01267 0.00046 -0.00051 170 2PY 0.02615 -0.03647 0.00219 -0.00084 0.00067 171 2PZ 0.01430 0.00350 -0.01881 -0.00122 0.00130 172 3S -0.02712 0.04201 0.00545 -0.00147 0.00020 173 3PX -0.00598 -0.00679 0.00824 0.00100 -0.00061 174 3PY 0.01378 -0.02968 0.00094 0.00114 -0.00057 175 3PZ 0.00810 0.00703 -0.01158 -0.00029 0.00094 176 4XX 0.00032 -0.00081 0.00036 0.00001 -0.00002 177 4YY -0.00009 0.00021 -0.00043 0.00001 0.00000 178 4ZZ 0.00106 -0.00104 0.00022 -0.00010 0.00010 179 4XY 0.00083 -0.00047 -0.00045 -0.00005 0.00008 180 4XZ 0.00036 -0.00033 -0.00040 0.00001 -0.00001 181 4YZ 0.00041 -0.00100 0.00075 -0.00013 0.00009 182 18 H 1S 0.00902 -0.01275 -0.00241 -0.00055 0.00043 183 2S 0.01244 -0.01666 -0.00315 -0.00129 0.00080 184 19 H 1S -0.00037 0.00097 -0.00016 0.00029 -0.00037 185 2S 0.00152 0.00181 -0.00132 0.00023 -0.00007 76 77 78 79 80 76 4ZZ 0.00147 77 4XY 0.00033 0.00174 78 4XZ 0.00006 -0.00005 0.00198 79 4YZ -0.00029 -0.00004 0.00046 0.00165 80 6 C 1S 0.00288 0.00553 0.00062 -0.00151 2.05315 81 2S -0.00673 -0.01083 -0.00041 0.00324 -0.06586 82 2PX -0.00442 -0.00119 0.00111 0.00477 0.00585 83 2PY 0.00822 0.01152 0.00311 -0.00518 -0.00274 84 2PZ 0.00336 0.00409 -0.00586 0.00894 0.00287 85 3S -0.00473 -0.01100 -0.00535 0.00204 -0.15644 86 3PX -0.00055 -0.00119 0.00035 -0.00268 -0.02331 87 3PY 0.00321 0.00630 0.00277 -0.00333 0.00608 88 3PZ 0.00177 0.00105 -0.00351 0.00232 -0.01548 89 4XX -0.00024 0.00020 -0.00026 -0.00016 -0.01546 90 4YY 0.00006 -0.00004 0.00021 0.00034 -0.01527 91 4ZZ 0.00032 0.00043 0.00022 -0.00007 -0.01372 92 4XY 0.00035 0.00040 0.00015 0.00017 0.00127 93 4XZ 0.00013 -0.00024 0.00018 -0.00020 -0.00283 94 4YZ -0.00024 0.00016 0.00010 0.00066 -0.00203 95 7 C 1S -0.00027 -0.00036 0.00002 -0.00122 0.01462 96 2S 0.00054 0.00060 0.00074 0.00247 -0.02817 97 2PX -0.00157 -0.00167 0.00252 -0.00291 0.03477 98 2PY -0.00058 -0.00129 -0.00064 -0.00487 0.04112 99 2PZ -0.00086 -0.00271 0.00016 -0.00346 0.04713 100 3S 0.00134 0.00200 0.00043 0.00467 -0.00225 101 3PX -0.00042 -0.00086 -0.00090 -0.00181 0.00690 102 3PY -0.00061 -0.00053 0.00151 -0.00285 -0.00711 103 3PZ 0.00053 -0.00116 -0.00149 -0.00225 0.00333 104 4XX 0.00015 0.00009 0.00004 -0.00009 0.00029 105 4YY -0.00021 -0.00030 -0.00019 0.00021 -0.00083 106 4ZZ -0.00007 -0.00001 0.00026 -0.00022 -0.00236 107 4XY 0.00004 -0.00005 -0.00018 0.00025 -0.00344 108 4XZ 0.00007 -0.00001 0.00006 0.00004 -0.00322 109 4YZ -0.00025 -0.00024 0.00001 0.00018 -0.00457 110 8 C 1S -0.00039 -0.00034 -0.00038 -0.00044 -0.00351 111 2S -0.00015 0.00036 0.00064 0.00065 0.00780 112 2PX 0.00062 -0.00088 -0.00237 0.00080 -0.01222 113 2PY 0.00097 -0.00104 0.00081 -0.00216 0.00251 114 2PZ -0.00169 -0.00015 0.00006 -0.00133 -0.00940 115 3S -0.00211 0.00070 0.00073 0.00073 0.01010 116 3PX 0.00219 -0.00167 -0.00384 0.00142 -0.00838 117 3PY 0.00109 -0.00291 0.00157 -0.00040 0.00086 118 3PZ 0.00020 -0.00040 -0.00055 -0.00153 -0.00331 119 4XX 0.00031 -0.00004 -0.00034 0.00007 -0.00059 120 4YY 0.00004 -0.00018 0.00030 -0.00007 0.00080 121 4ZZ -0.00010 0.00023 -0.00005 0.00002 -0.00056 122 4XY 0.00032 0.00022 -0.00028 0.00008 -0.00049 123 4XZ -0.00015 -0.00014 0.00031 -0.00001 -0.00133 124 4YZ -0.00001 -0.00005 0.00015 0.00004 -0.00035 125 9 C 1S -0.00155 -0.00013 -0.00101 -0.00081 -0.00206 126 2S 0.00349 0.00058 0.00213 0.00177 0.00419 127 2PX -0.00783 -0.00596 0.00616 -0.00236 -0.00955 128 2PY -0.00165 0.00302 -0.00439 -0.00067 0.00592 129 2PZ -0.00561 0.00197 -0.00730 -0.00189 -0.00169 130 3S 0.00366 0.00147 0.00445 0.00356 0.00299 131 3PX -0.00441 -0.00467 0.00481 -0.00148 -0.00668 132 3PY -0.00008 0.00021 -0.00247 -0.00023 -0.00036 133 3PZ -0.00164 0.00147 -0.00458 -0.00117 0.00081 134 4XX 0.00004 0.00012 -0.00043 0.00004 -0.00040 135 4YY -0.00037 -0.00006 0.00000 0.00004 -0.00016 136 4ZZ 0.00010 -0.00011 0.00019 -0.00046 0.00024 137 4XY 0.00008 0.00007 -0.00010 0.00009 0.00001 138 4XZ 0.00043 0.00007 -0.00017 -0.00015 0.00008 139 4YZ 0.00018 -0.00010 0.00032 -0.00012 -0.00019 140 10 H 1S -0.00321 -0.00029 -0.00341 -0.00421 -0.00392 141 2S -0.00543 -0.00125 -0.00406 -0.00121 -0.00437 142 11 H 1S 0.00273 0.00793 0.01104 0.01249 0.01031 143 2S 0.00229 0.00778 0.00973 0.01047 0.01227 144 12 H 1S -0.00010 -0.00013 0.00050 -0.00025 -0.00698 145 2S -0.00053 0.00108 0.00167 0.00036 -0.00965 146 13 H 1S -0.00174 -0.00024 -0.00132 -0.00136 -0.00038 147 2S -0.00099 -0.00076 -0.00127 -0.00242 0.00040 148 14 C 1S -0.00002 0.00079 -0.00001 0.00162 0.02095 149 2S -0.00002 -0.00161 0.00015 -0.00329 -0.04070 150 2PX 0.00005 -0.00421 0.00395 -0.00840 -0.07657 151 2PY 0.00105 0.00241 0.00206 -0.00042 0.01688 152 2PZ -0.00080 -0.00105 -0.00398 0.00292 -0.04087 153 3S 0.00145 -0.00025 -0.00053 -0.00641 -0.02646 154 3PX 0.00090 -0.00101 0.00296 -0.00480 -0.02173 155 3PY 0.00093 0.00043 0.00099 -0.00091 0.00453 156 3PZ -0.00035 0.00057 -0.00301 0.00254 -0.01014 157 4XX -0.00012 -0.00021 0.00022 -0.00019 -0.00396 158 4YY -0.00006 0.00005 -0.00002 0.00030 0.00291 159 4ZZ 0.00014 0.00020 -0.00018 0.00019 0.00102 160 4XY 0.00028 0.00037 0.00004 -0.00019 0.00171 161 4XZ 0.00008 -0.00005 -0.00010 -0.00003 -0.00396 162 4YZ 0.00011 0.00023 0.00011 -0.00006 0.00142 163 15 H 1S -0.00043 0.00071 -0.00034 0.00191 0.01225 164 2S -0.00158 -0.00061 0.00044 0.00278 0.01423 165 16 H 1S 0.00070 0.00106 -0.00002 -0.00024 0.01292 166 2S 0.00142 0.00239 0.00012 0.00097 0.01538 167 17 C 1S 0.00014 0.00036 0.00021 0.00044 -0.00419 168 2S -0.00055 -0.00075 -0.00044 -0.00075 0.00818 169 2PX -0.00008 0.00077 -0.00093 0.00062 -0.00296 170 2PY 0.00032 0.00146 0.00058 0.00190 -0.01299 171 2PZ 0.00060 -0.00042 0.00066 -0.00018 -0.00759 172 3S -0.00082 -0.00168 -0.00241 -0.00015 0.01845 173 3PX -0.00064 0.00015 -0.00011 0.00086 0.00014 174 3PY 0.00020 0.00098 0.00061 0.00086 -0.00903 175 3PZ -0.00039 -0.00060 0.00162 -0.00030 -0.00333 176 4XX -0.00002 -0.00001 0.00004 0.00002 0.00021 177 4YY 0.00005 0.00006 -0.00004 0.00001 0.00007 178 4ZZ 0.00003 0.00010 0.00003 0.00007 -0.00092 179 4XY 0.00008 0.00013 -0.00009 0.00017 -0.00169 180 4XZ 0.00000 0.00001 0.00001 0.00002 -0.00002 181 4YZ 0.00009 0.00016 -0.00006 0.00010 -0.00128 182 18 H 1S 0.00045 0.00082 -0.00016 0.00085 -0.00884 183 2S 0.00128 0.00176 -0.00036 0.00107 -0.01165 184 19 H 1S -0.00051 -0.00055 0.00050 -0.00031 0.00603 185 2S -0.00086 -0.00095 0.00130 -0.00060 0.00621 81 82 83 84 85 81 2S 0.33865 82 2PX -0.00516 0.41330 83 2PY 0.00231 -0.01891 0.38949 84 2PZ -0.00962 0.03498 0.01568 0.37529 85 3S 0.24840 0.03813 0.00701 0.04859 0.25301 86 3PX 0.04618 0.05203 0.04935 -0.05786 0.04482 87 3PY -0.01791 0.04643 0.12747 -0.02342 -0.01844 88 3PZ 0.02286 -0.07258 -0.00919 0.14365 0.03710 89 4XX -0.00502 -0.00794 -0.00338 0.00252 -0.00423 90 4YY -0.00701 0.01057 -0.00713 -0.00031 -0.00390 91 4ZZ -0.00993 0.00441 0.00815 0.00001 -0.00672 92 4XY -0.00326 -0.00178 0.00977 0.00888 -0.00185 93 4XZ 0.00688 -0.00033 0.00851 -0.00199 0.00399 94 4YZ 0.00408 0.00452 0.00066 0.00908 0.00313 95 7 C 1S -0.02863 -0.03181 -0.04080 -0.04920 0.00297 96 2S 0.05116 0.06426 0.08343 0.09782 0.00994 97 2PX -0.06906 -0.04088 -0.08728 -0.14196 -0.10055 98 2PY -0.08426 -0.06167 -0.08697 -0.13888 -0.07760 99 2PZ -0.09505 -0.12413 -0.15805 -0.09287 -0.10917 100 3S 0.02027 0.07065 0.09608 0.13466 0.00440 101 3PX -0.02276 0.03608 -0.03978 -0.03406 -0.01815 102 3PY 0.00747 -0.09338 0.01573 -0.07009 -0.00135 103 3PZ -0.01678 -0.04911 -0.04975 -0.01410 -0.01117 104 4XX -0.00152 -0.01021 -0.00052 -0.00059 -0.00225 105 4YY 0.00032 0.00140 -0.00950 0.00227 0.00139 106 4ZZ 0.00375 0.00465 0.00614 -0.00764 0.00457 107 4XY 0.00654 -0.00075 0.00285 0.00940 0.00923 108 4XZ 0.00594 -0.00201 0.00655 0.00228 0.00442 109 4YZ 0.00866 0.00894 0.00176 0.00463 0.00941 110 8 C 1S 0.00781 0.00963 0.00592 0.01095 0.00359 111 2S -0.01710 -0.02175 -0.01256 -0.02398 -0.02458 112 2PX 0.02764 0.03273 0.01451 0.04131 0.08392 113 2PY -0.00636 -0.01513 -0.00455 -0.00822 -0.01739 114 2PZ 0.01927 0.02705 0.01611 0.01660 0.06174 115 3S -0.01573 -0.08258 -0.01664 -0.08094 -0.04064 116 3PX 0.01431 0.03353 -0.00589 0.04615 0.05839 117 3PY -0.00206 -0.02611 -0.01941 -0.01686 -0.01369 118 3PZ 0.00694 0.03414 0.00926 0.00807 0.03262 119 4XX 0.00103 -0.00024 0.00151 0.00435 0.00127 120 4YY -0.00112 -0.00128 -0.00239 -0.00367 -0.00084 121 4ZZ 0.00105 0.00190 0.00303 0.00157 0.00162 122 4XY 0.00073 0.00188 0.00334 0.00228 0.00326 123 4XZ 0.00314 0.00463 0.00198 0.00370 0.00250 124 4YZ 0.00109 0.00125 -0.00061 0.00200 0.00275 125 9 C 1S 0.00420 0.00422 -0.00380 0.00432 0.00654 126 2S -0.00833 -0.00459 0.00870 -0.01324 -0.01242 127 2PX 0.02799 0.01841 -0.04383 0.01026 0.03236 128 2PY -0.01608 -0.00898 0.00890 -0.02149 -0.00518 129 2PZ 0.00030 0.00313 0.00026 0.00606 0.01782 130 3S -0.01466 -0.01754 0.02214 -0.00209 -0.02536 131 3PX 0.02064 0.01006 -0.04197 0.00782 0.01676 132 3PY -0.00387 -0.00987 -0.00114 -0.00403 0.00273 133 3PZ 0.00017 0.00271 0.00436 -0.00727 0.00620 134 4XX 0.00051 0.00091 0.00020 0.00117 0.00174 135 4YY 0.00062 0.00086 -0.00190 -0.00064 0.00080 136 4ZZ -0.00056 -0.00033 0.00098 -0.00080 -0.00153 137 4XY 0.00009 0.00089 0.00036 -0.00025 0.00147 138 4XZ -0.00052 -0.00012 0.00088 0.00092 -0.00031 139 4YZ 0.00071 0.00103 0.00134 0.00059 0.00102 140 10 H 1S 0.00984 0.01433 -0.01771 -0.00738 0.02228 141 2S 0.01419 0.01598 -0.04080 -0.00522 0.02769 142 11 H 1S -0.02102 -0.00180 0.03480 0.01661 -0.06130 143 2S -0.02597 0.01055 0.06497 0.04224 -0.05208 144 12 H 1S 0.01460 0.01852 0.01555 0.01976 0.04232 145 2S 0.02078 0.03304 0.03314 0.03791 0.04051 146 13 H 1S 0.00020 -0.00088 -0.00281 0.00264 0.00328 147 2S -0.00267 -0.00536 -0.00241 0.00381 -0.00017 148 14 C 1S -0.04205 0.07465 -0.01886 0.03993 0.00102 149 2S 0.07332 -0.14303 0.03667 -0.07824 0.01272 150 2PX 0.15635 -0.15376 0.12462 -0.24305 0.08417 151 2PY -0.03255 0.12423 0.07844 -0.06489 -0.01377 152 2PZ 0.07919 -0.24309 -0.05588 0.11155 0.05976 153 3S 0.06501 -0.20367 0.06102 -0.09828 0.00046 154 3PX 0.05175 -0.05102 0.07665 -0.14138 0.01747 155 3PY -0.00776 0.07448 0.06025 -0.05244 0.00227 156 3PZ 0.02321 -0.14504 -0.04580 0.10331 0.01806 157 4XX 0.00679 0.00322 0.00431 -0.00979 0.00469 158 4YY -0.00678 0.00803 -0.00676 0.00434 -0.00463 159 4ZZ -0.00289 0.00042 -0.00032 0.01133 -0.00050 160 4XY -0.00307 0.00333 0.00999 0.00315 -0.00146 161 4XZ 0.00722 -0.00963 0.00356 0.00347 0.00469 162 4YZ -0.00307 0.00530 0.00524 -0.00053 -0.00308 163 15 H 1S -0.02781 0.03663 -0.02025 0.01136 -0.02404 164 2S -0.03025 0.06009 -0.05882 0.00329 -0.02352 165 16 H 1S -0.02939 0.03341 0.00436 0.02486 -0.03271 166 2S -0.03254 0.04987 0.02867 0.05533 -0.02305 167 17 C 1S 0.00942 0.00308 0.01378 0.00883 0.00865 168 2S -0.01880 -0.00841 -0.03040 -0.01922 -0.01990 169 2PX 0.00442 -0.00579 0.00618 0.00817 0.04178 170 2PY 0.02918 0.00482 0.03880 0.03605 0.04589 171 2PZ 0.01781 0.01502 0.01677 0.00229 0.05750 172 3S -0.03824 0.05444 -0.08929 -0.01082 -0.02710 173 3PX 0.00143 -0.01252 -0.01163 0.00304 0.01023 174 3PY 0.01802 -0.03070 0.03254 0.02300 0.01862 175 3PZ 0.01027 0.00630 0.00729 -0.01785 0.01704 176 4XX -0.00024 -0.00145 -0.00126 -0.00075 -0.00100 177 4YY 0.00003 0.00031 0.00141 0.00243 -0.00085 178 4ZZ 0.00192 0.00216 0.00363 0.00090 0.00330 179 4XY 0.00313 0.00237 0.00444 0.00608 0.00679 180 4XZ 0.00028 -0.00020 0.00024 0.00060 0.00092 181 4YZ 0.00250 0.00385 0.00608 0.00337 0.00494 182 18 H 1S 0.01821 0.01225 0.02831 0.02271 0.05634 183 2S 0.02352 0.02514 0.05596 0.03946 0.06172 184 19 H 1S -0.01181 -0.00999 -0.02238 -0.01423 -0.04009 185 2S -0.01018 -0.01416 -0.02527 -0.03184 -0.04146 86 87 88 89 90 86 3PX 0.05585 87 3PY 0.01601 0.07609 88 3PZ -0.02318 -0.02505 0.08392 89 4XX -0.00246 -0.00269 0.00257 0.00105 90 4YY -0.00198 0.00067 -0.00309 -0.00012 0.00126 91 4ZZ 0.00084 0.00335 -0.00206 -0.00021 0.00008 92 4XY -0.00151 0.00170 0.00249 0.00014 -0.00029 93 4XZ 0.00311 0.00148 -0.00079 -0.00013 -0.00046 94 4YZ -0.00204 0.00023 0.00213 -0.00012 0.00003 95 7 C 1S 0.01022 -0.00526 0.00317 0.00007 -0.00062 96 2S -0.01430 0.02374 0.00503 -0.00118 0.00027 97 2PX 0.02766 -0.05296 -0.04583 0.01027 -0.00114 98 2PY -0.07240 0.02042 -0.06831 0.00072 0.01098 99 2PZ -0.02538 -0.05818 -0.00715 -0.00016 -0.00158 100 3S -0.01664 0.01523 0.01393 -0.00134 -0.00125 101 3PX 0.00465 -0.00627 -0.02303 0.00333 0.00235 102 3PY 0.00585 0.00106 -0.00219 0.00249 -0.00179 103 3PZ -0.00397 -0.01339 0.01500 -0.00195 -0.00171 104 4XX 0.00020 -0.00230 0.00287 0.00031 -0.00039 105 4YY -0.00227 -0.00265 0.00101 0.00018 0.00037 106 4ZZ 0.00491 0.00335 -0.00310 -0.00038 -0.00014 107 4XY -0.00069 0.00029 0.00451 0.00007 -0.00010 108 4XZ 0.00221 0.00060 0.00170 0.00006 -0.00034 109 4YZ 0.00115 0.00222 0.00086 -0.00046 0.00005 110 8 C 1S -0.01449 0.01463 -0.00035 -0.00140 0.00078 111 2S 0.01250 -0.01486 -0.00192 0.00233 -0.00160 112 2PX -0.02685 0.04028 0.01574 -0.00366 0.00551 113 2PY 0.02182 -0.01631 0.00883 0.00198 -0.00189 114 2PZ 0.00998 0.02454 0.00255 -0.00381 0.00186 115 3S 0.02327 -0.02467 0.00167 0.00444 -0.00338 116 3PX -0.02127 0.01643 0.01345 -0.00280 0.00459 117 3PY 0.00498 -0.02596 -0.00461 0.00098 -0.00016 118 3PZ 0.00519 0.01586 -0.00883 -0.00349 0.00106 119 4XX 0.00023 -0.00076 0.00199 -0.00029 -0.00020 120 4YY -0.00190 0.00082 -0.00200 0.00007 0.00022 121 4ZZ 0.00053 0.00118 0.00037 0.00000 0.00008 122 4XY 0.00112 0.00171 0.00124 -0.00028 0.00008 123 4XZ 0.00248 -0.00004 0.00088 0.00022 -0.00015 124 4YZ -0.00022 0.00147 0.00154 -0.00020 0.00003 125 9 C 1S 0.00384 -0.00353 0.00152 0.00024 0.00011 126 2S -0.00936 0.01082 -0.00749 -0.00054 0.00013 127 2PX -0.00218 -0.01020 -0.00161 0.00355 -0.00004 128 2PY 0.00645 0.00384 -0.01231 -0.00094 0.00147 129 2PZ 0.01900 -0.01508 0.00454 0.00001 0.00077 130 3S -0.01720 0.00965 -0.00823 -0.00046 0.00109 131 3PX -0.00503 -0.01218 -0.00021 0.00306 -0.00014 132 3PY -0.00136 -0.00639 -0.00468 -0.00023 0.00130 133 3PZ 0.01064 -0.00413 -0.00095 -0.00004 0.00000 134 4XX -0.00012 0.00014 0.00045 -0.00017 0.00013 135 4YY 0.00093 -0.00183 -0.00075 0.00012 -0.00015 136 4ZZ 0.00061 0.00102 -0.00002 0.00012 0.00005 137 4XY -0.00112 0.00115 -0.00047 -0.00011 0.00019 138 4XZ 0.00067 0.00043 0.00086 -0.00012 0.00004 139 4YZ -0.00027 0.00147 -0.00001 -0.00006 -0.00002 140 10 H 1S 0.00485 -0.01314 -0.00977 0.00084 -0.00096 141 2S 0.00053 -0.02442 -0.00821 0.00109 -0.00066 142 11 H 1S -0.01981 0.02085 -0.00341 -0.00259 0.00440 143 2S -0.01667 0.02693 0.00361 -0.00161 0.00181 144 12 H 1S 0.01127 0.01590 0.01240 -0.00127 0.00087 145 2S 0.01141 0.02390 0.01709 -0.00101 0.00019 146 13 H 1S 0.00679 -0.00571 0.00349 0.00064 0.00015 147 2S 0.00893 -0.00595 0.00617 0.00048 0.00008 148 14 C 1S 0.00155 0.00127 0.00203 -0.00338 0.00297 149 2S -0.00856 -0.00001 -0.00745 0.00564 -0.00667 150 2PX 0.07380 0.02957 -0.05185 -0.00621 -0.00819 151 2PY 0.04237 0.05306 -0.05285 -0.00372 0.00743 152 2PZ -0.04601 -0.06684 0.11091 0.00789 -0.00406 153 3S 0.01293 -0.00719 0.00610 0.00698 -0.01024 154 3PX 0.04971 0.02359 -0.03902 -0.00434 -0.00365 155 3PY 0.03176 0.03227 -0.03880 -0.00357 0.00312 156 3PZ -0.03790 -0.04854 0.07871 0.00629 -0.00285 157 4XX 0.00422 0.00229 -0.00403 -0.00040 -0.00001 158 4YY -0.00203 -0.00105 -0.00045 0.00017 0.00053 159 4ZZ -0.00215 -0.00089 0.00438 0.00003 -0.00008 160 4XY 0.00106 0.00355 -0.00023 -0.00021 -0.00026 161 4XZ -0.00088 -0.00067 0.00359 0.00014 -0.00057 162 4YZ 0.00020 0.00293 -0.00246 0.00001 -0.00004 163 15 H 1S -0.01033 0.00174 -0.00715 0.00309 0.00420 164 2S -0.00857 -0.00827 -0.01187 0.00116 0.00545 165 16 H 1S -0.01777 0.00837 -0.00963 0.00157 -0.00238 166 2S -0.01212 0.01505 0.00141 -0.00032 -0.00136 167 17 C 1S 0.00584 -0.00120 0.00248 0.00040 -0.00182 168 2S -0.01417 0.00372 -0.00477 -0.00056 0.00367 169 2PX -0.01139 0.00826 0.00157 0.00546 0.00152 170 2PY 0.07360 -0.02634 0.04680 0.00425 -0.00744 171 2PZ 0.03407 0.01072 0.01966 -0.00578 -0.00460 172 3S -0.03007 -0.00146 -0.02122 -0.00191 0.00747 173 3PX -0.00985 -0.00651 0.00012 0.00443 0.00091 174 3PY 0.02789 -0.01357 0.02887 0.00314 -0.00443 175 3PZ 0.01941 0.00587 0.00237 -0.00408 -0.00270 176 4XX 0.00191 -0.00202 0.00094 0.00025 -0.00021 177 4YY -0.00183 0.00108 -0.00004 -0.00018 0.00007 178 4ZZ 0.00249 0.00076 0.00079 0.00004 -0.00019 179 4XY 0.00059 0.00218 0.00276 -0.00032 -0.00015 180 4XZ 0.00181 -0.00033 0.00152 -0.00005 -0.00013 181 4YZ 0.00014 0.00316 0.00038 0.00000 0.00015 182 18 H 1S 0.02876 0.00830 0.02529 -0.00002 -0.00226 183 2S 0.02679 0.01924 0.02459 -0.00088 -0.00219 184 19 H 1S 0.01350 -0.02047 0.00237 0.00075 -0.00036 185 2S 0.01654 -0.02336 -0.00526 0.00141 -0.00110 91 92 93 94 95 91 4ZZ 0.00126 92 4XY 0.00025 0.00117 93 4XZ 0.00022 0.00029 0.00076 94 4YZ 0.00009 0.00040 -0.00005 0.00077 95 7 C 1S -0.00237 -0.00339 -0.00330 -0.00436 2.05312 96 2S 0.00354 0.00679 0.00600 0.00812 -0.06415 97 2PX -0.00562 -0.00022 0.00128 -0.00736 0.00481 98 2PY -0.00588 -0.00221 -0.00739 -0.00190 -0.00741 99 2PZ 0.00727 -0.00972 -0.00293 -0.00354 -0.00124 100 3S 0.00540 0.00918 0.00515 0.00903 -0.16018 101 3PX -0.00406 0.00025 -0.00094 -0.00169 -0.00274 102 3PY -0.00296 -0.00055 0.00015 -0.00338 0.03031 103 3PZ 0.00418 -0.00513 -0.00100 -0.00109 0.01189 104 4XX -0.00004 -0.00006 0.00000 -0.00028 -0.01410 105 4YY -0.00045 -0.00007 -0.00029 0.00004 -0.01604 106 4ZZ 0.00018 -0.00030 0.00013 -0.00023 -0.01335 107 4XY -0.00051 0.00030 -0.00008 0.00021 0.00115 108 4XZ -0.00009 0.00024 0.00034 0.00010 -0.00261 109 4YZ 0.00013 -0.00015 0.00014 0.00037 -0.00202 110 8 C 1S -0.00039 -0.00008 -0.00095 0.00042 0.01282 111 2S 0.00081 0.00059 0.00173 -0.00083 -0.02097 112 2PX -0.00380 0.00038 -0.00419 0.00155 0.05306 113 2PY 0.00063 -0.00017 0.00192 -0.00130 -0.03019 114 2PZ -0.00071 -0.00163 -0.00378 0.00192 0.02747 115 3S 0.00096 -0.00064 0.00354 -0.00350 -0.00489 116 3PX -0.00225 0.00090 -0.00215 0.00150 0.01382 117 3PY -0.00098 -0.00024 0.00052 -0.00127 -0.01040 118 3PZ 0.00079 -0.00123 -0.00232 0.00182 0.00683 119 4XX 0.00043 -0.00004 0.00017 0.00011 -0.00295 120 4YY -0.00026 -0.00002 -0.00026 0.00004 0.00066 121 4ZZ -0.00017 0.00015 0.00000 -0.00001 0.00116 122 4XY -0.00008 0.00003 -0.00012 -0.00012 0.00451 123 4XZ -0.00013 0.00024 0.00021 0.00019 -0.00334 124 4YZ 0.00013 -0.00019 -0.00014 0.00009 0.00209 125 9 C 1S -0.00020 -0.00038 0.00025 -0.00003 -0.00302 126 2S 0.00009 0.00084 -0.00068 0.00028 0.00485 127 2PX -0.00225 -0.00044 -0.00069 0.00317 -0.00158 128 2PY -0.00048 -0.00064 -0.00008 -0.00208 0.00913 129 2PZ -0.00054 -0.00095 0.00078 -0.00179 -0.00466 130 3S -0.00032 0.00213 -0.00109 0.00105 0.00757 131 3PX -0.00233 -0.00010 -0.00068 0.00211 -0.00624 132 3PY -0.00160 0.00001 -0.00035 -0.00151 0.00864 133 3PZ -0.00046 -0.00039 0.00052 -0.00145 -0.00399 134 4XX -0.00006 -0.00001 -0.00005 -0.00004 0.00016 135 4YY 0.00001 0.00003 -0.00007 0.00020 -0.00105 136 4ZZ -0.00005 -0.00008 0.00019 -0.00025 -0.00070 137 4XY -0.00012 0.00006 -0.00016 0.00005 0.00125 138 4XZ 0.00001 -0.00002 0.00008 -0.00020 0.00024 139 4YZ 0.00002 0.00003 -0.00011 0.00015 0.00032 140 10 H 1S -0.00035 0.00015 -0.00120 0.00144 -0.00077 141 2S -0.00099 -0.00046 -0.00167 0.00173 0.00044 142 11 H 1S 0.00224 0.00253 -0.00189 0.00564 -0.00628 143 2S 0.00316 0.00499 -0.00050 0.00532 -0.00955 144 12 H 1S -0.00082 0.00004 -0.00124 0.00091 0.00979 145 2S -0.00052 0.00082 -0.00068 0.00139 0.01063 146 13 H 1S -0.00028 -0.00036 0.00080 -0.00091 -0.00400 147 2S 0.00024 -0.00082 0.00147 -0.00170 -0.00352 148 14 C 1S 0.00098 0.00133 -0.00341 0.00159 -0.00421 149 2S -0.00254 -0.00241 0.00628 -0.00343 0.00804 150 2PX -0.00042 -0.00267 0.00678 -0.00515 0.01262 151 2PY 0.00018 -0.01204 -0.00334 -0.00513 0.00522 152 2PZ -0.01265 -0.00228 -0.00576 0.00013 0.00777 153 3S -0.00255 -0.00208 0.00729 -0.00619 0.02016 154 3PX 0.00229 -0.00211 0.00391 -0.00360 0.00992 155 3PY 0.00179 -0.00517 0.00009 -0.00273 0.00017 156 3PZ -0.00725 0.00126 -0.00367 0.00120 0.00308 157 4XX -0.00004 -0.00027 0.00018 -0.00014 0.00030 158 4YY 0.00001 -0.00024 -0.00032 0.00002 0.00028 159 4ZZ 0.00021 0.00055 -0.00005 0.00036 -0.00132 160 4XY 0.00059 0.00086 0.00039 0.00023 -0.00180 161 4XZ -0.00012 0.00040 0.00037 0.00016 -0.00067 162 4YZ 0.00043 0.00023 0.00033 0.00005 -0.00070 163 15 H 1S -0.00277 -0.00781 -0.00275 -0.00258 0.00612 164 2S -0.00222 -0.00749 -0.00410 -0.00145 0.00680 165 16 H 1S 0.00500 0.00667 0.00502 0.00243 -0.00905 166 2S 0.00524 0.00731 0.00354 0.00341 -0.01246 167 17 C 1S 0.00017 0.00002 0.00078 -0.00072 0.02095 168 2S -0.00049 0.00013 -0.00142 0.00138 -0.04064 169 2PX -0.00777 0.00411 -0.00112 -0.00073 -0.01632 170 2PY -0.00271 0.00195 0.00255 -0.00387 0.08535 171 2PZ 0.00863 -0.00578 0.00168 -0.00083 0.01684 172 3S -0.00102 -0.00155 -0.00392 0.00193 -0.02789 173 3PX -0.00586 0.00273 -0.00100 -0.00051 -0.00481 174 3PY -0.00180 0.00291 0.00189 -0.00120 0.02423 175 3PZ 0.00644 -0.00405 0.00152 -0.00026 0.00250 176 4XX -0.00015 -0.00001 0.00005 -0.00021 0.00285 177 4YY 0.00027 0.00007 0.00007 0.00026 -0.00551 178 4ZZ -0.00008 0.00009 0.00011 -0.00012 0.00277 179 4XY 0.00022 -0.00004 0.00000 0.00015 0.00182 180 4XZ 0.00011 -0.00008 0.00002 -0.00004 0.00087 181 4YZ -0.00028 0.00037 0.00005 0.00014 -0.00163 182 18 H 1S -0.00002 0.00032 0.00072 -0.00071 0.01286 183 2S 0.00040 0.00098 0.00097 -0.00016 0.01548 184 19 H 1S 0.00009 -0.00042 0.00018 -0.00067 0.01236 185 2S 0.00004 -0.00152 0.00049 -0.00160 0.01437 96 97 98 99 100 96 2S 0.33484 97 2PX -0.00515 0.37341 98 2PY 0.01441 -0.00899 0.42811 99 2PZ 0.00183 0.02069 0.01579 0.37358 100 3S 0.24534 -0.03609 -0.05513 -0.03202 0.24810 101 3PX 0.00766 0.11426 0.04886 -0.04649 0.00108 102 3PY -0.05313 0.04905 0.04814 -0.00891 -0.07190 103 3PZ -0.01540 -0.05657 -0.02730 0.16398 -0.02329 104 4XX -0.00897 0.00508 -0.00802 0.00365 -0.00587 105 4YY -0.00339 -0.00009 0.00797 -0.00315 -0.00336 106 4ZZ -0.01069 -0.00363 -0.00600 -0.00304 -0.00688 107 4XY -0.00294 -0.00515 -0.00051 -0.01181 -0.00037 108 4XZ 0.00531 0.00308 -0.00695 -0.00383 0.00378 109 4YZ 0.00467 -0.01175 -0.00237 -0.00176 0.00367 110 8 C 1S -0.02517 -0.05548 0.02963 -0.02589 0.01861 111 2S 0.04099 0.10992 -0.05959 0.05032 -0.00736 112 2PX -0.10521 -0.16653 0.12553 -0.13781 -0.09356 113 2PY 0.06403 0.12515 -0.06159 0.06648 0.03692 114 2PZ -0.05995 -0.12796 0.04929 -0.01736 -0.04989 115 3S 0.01537 0.16380 -0.07872 0.07797 -0.07180 116 3PX -0.03206 -0.09906 0.08197 -0.08338 -0.02566 117 3PY 0.02401 0.07966 -0.00696 0.03468 0.01791 118 3PZ -0.01700 -0.08623 0.02468 0.00958 0.00840 119 4XX 0.00486 -0.00496 -0.00697 0.00698 0.00574 120 4YY -0.00151 -0.00095 0.01134 -0.00157 -0.00251 121 4ZZ -0.00256 -0.00053 0.00011 -0.00782 -0.00122 122 4XY -0.00878 -0.00649 -0.00160 -0.00753 -0.00715 123 4XZ 0.00649 0.00705 -0.00695 -0.00388 0.00461 124 4YZ -0.00390 -0.00750 -0.00122 0.00217 -0.00451 125 9 C 1S 0.00556 0.00526 -0.00894 0.00562 0.00951 126 2S -0.01238 -0.01001 0.02531 -0.01757 -0.01614 127 2PX 0.01017 -0.00189 0.00432 0.00081 0.02147 128 2PY -0.02656 -0.02298 0.03083 -0.01426 -0.03474 129 2PZ 0.00673 0.01700 -0.01385 0.00511 0.03092 130 3S -0.00812 -0.00849 0.03719 -0.03401 0.00549 131 3PX 0.01551 0.01973 0.00989 0.00034 0.01424 132 3PY -0.01921 -0.00216 0.03334 -0.02603 -0.01771 133 3PZ 0.00055 0.01556 -0.00075 -0.00655 0.00199 134 4XX -0.00082 -0.00268 0.00198 -0.00205 -0.00065 135 4YY 0.00168 0.00293 -0.00319 0.00257 0.00136 136 4ZZ 0.00128 0.00320 0.00025 0.00009 0.00121 137 4XY -0.00282 -0.00378 0.00546 -0.00454 -0.00363 138 4XZ -0.00017 0.00061 -0.00101 -0.00020 -0.00061 139 4YZ -0.00077 -0.00311 0.00135 -0.00092 -0.00076 140 10 H 1S 0.00019 0.00051 -0.00203 0.00249 0.00954 141 2S -0.00404 -0.00140 0.00512 0.00770 0.00396 142 11 H 1S 0.01363 -0.01413 -0.01993 -0.02005 0.04273 143 2S 0.02154 -0.02388 -0.03967 -0.04685 0.04638 144 12 H 1S -0.02083 -0.02760 -0.00099 -0.02291 -0.03974 145 2S -0.02250 -0.04434 -0.01745 -0.04957 -0.03042 146 13 H 1S 0.00929 0.01982 -0.00982 0.00552 0.02145 147 2S 0.01044 0.02111 -0.02065 0.01905 0.01928 148 14 C 1S 0.00917 -0.01238 -0.00471 -0.01022 0.01219 149 2S -0.01782 0.02743 0.01102 0.02264 -0.02763 150 2PX -0.02722 0.02162 0.01094 0.03717 -0.06339 151 2PY -0.01005 -0.00155 0.00120 0.00662 -0.05617 152 2PZ -0.01778 0.03516 0.01363 0.01281 -0.04637 153 3S -0.04000 0.08592 -0.04179 0.04614 -0.05028 154 3PX -0.01913 0.01644 -0.01926 0.03873 -0.03582 155 3PY -0.00414 -0.01302 -0.00891 -0.00135 -0.01875 156 3PZ -0.00876 0.03080 -0.00410 -0.00518 -0.01054 157 4XX -0.00037 0.00053 0.00024 -0.00196 -0.00216 158 4YY -0.00030 0.00124 0.00165 0.00104 -0.00017 159 4ZZ 0.00255 -0.00471 -0.00372 -0.00164 0.00509 160 4XY 0.00336 -0.00382 -0.00383 -0.00631 0.00652 161 4XZ 0.00134 -0.00341 -0.00290 -0.00251 0.00244 162 4YZ 0.00152 -0.00198 -0.00168 -0.00255 0.00328 163 15 H 1S -0.01212 0.01867 0.01198 0.01616 -0.03500 164 2S -0.01170 0.01546 0.02061 0.03317 -0.03484 165 16 H 1S 0.01860 -0.02415 -0.01684 -0.02428 0.05786 166 2S 0.02469 -0.04708 -0.03202 -0.04330 0.06516 167 17 C 1S -0.04212 0.01818 -0.08288 -0.01665 -0.00008 168 2S 0.07434 -0.03212 0.16224 0.02866 0.01191 169 2PX 0.03454 0.12478 0.12121 -0.11453 0.00642 170 2PY -0.17370 0.11464 -0.25996 -0.12346 -0.10219 171 2PZ -0.03387 -0.10780 -0.13128 0.17013 -0.02489 172 3S 0.06715 -0.05549 0.20427 0.03105 0.01467 173 3PX 0.01022 0.09806 0.06663 -0.08105 -0.00163 174 3PY -0.05637 0.06687 -0.10691 -0.06711 -0.02958 175 3PZ -0.00788 -0.07183 -0.07871 0.12705 -0.00867 176 4XX -0.00636 0.00699 -0.00812 -0.00234 -0.00441 177 4YY 0.00964 -0.00494 0.00347 0.00503 0.00709 178 4ZZ -0.00598 0.00199 -0.00770 -0.00664 -0.00342 179 4XY -0.00345 -0.01134 -0.00535 -0.00110 -0.00103 180 4XZ -0.00226 -0.00171 -0.00336 0.00170 -0.00261 181 4YZ 0.00322 -0.00122 0.00587 -0.01180 0.00204 182 18 H 1S -0.02875 -0.00078 -0.03731 -0.01918 -0.03211 183 2S -0.03241 -0.02478 -0.05982 -0.04661 -0.02086 184 19 H 1S -0.02906 0.01891 -0.03792 0.00056 -0.02494 185 2S -0.03203 0.05341 -0.06038 0.02097 -0.02565 101 102 103 104 105 101 3PX 0.06668 102 3PY 0.00442 0.06275 103 3PZ -0.04278 -0.00665 0.09798 104 4XX -0.00162 0.00296 0.00247 0.00119 105 4YY 0.00213 0.00101 -0.00203 -0.00021 0.00100 106 4ZZ -0.00175 0.00091 0.00031 0.00024 -0.00013 107 4XY 0.00047 0.00010 -0.00443 -0.00022 0.00019 108 4XZ 0.00036 0.00025 -0.00193 0.00008 -0.00024 109 4YZ -0.00328 -0.00236 0.00237 -0.00031 -0.00006 110 8 C 1S 0.00870 -0.01863 -0.00009 -0.00358 0.00084 111 2S 0.00796 0.01351 0.00745 0.00606 -0.00148 112 2PX -0.02920 0.02539 -0.01817 0.00384 0.00154 113 2PY 0.01941 -0.01035 0.01504 0.00722 -0.01026 114 2PZ -0.01670 -0.01957 -0.00674 -0.00589 0.00113 115 3S -0.01386 0.07580 0.03306 0.01331 -0.00213 116 3PX -0.00787 0.00222 -0.00890 0.00127 0.00179 117 3PY 0.01717 -0.01025 -0.01083 0.00199 -0.00407 118 3PZ -0.00213 -0.03827 0.00507 -0.00507 -0.00046 119 4XX -0.00309 -0.00360 0.00483 0.00006 -0.00037 120 4YY 0.00194 0.00165 -0.00205 -0.00048 0.00047 121 4ZZ 0.00027 0.00081 -0.00307 0.00027 -0.00018 122 4XY -0.00186 0.00008 -0.00247 0.00004 0.00008 123 4XZ 0.00284 -0.00127 -0.00338 -0.00007 -0.00019 124 4YZ -0.00344 0.00003 0.00325 0.00030 -0.00021 125 9 C 1S 0.00350 -0.00990 0.00683 0.00076 -0.00143 126 2S -0.00045 0.01107 -0.01420 -0.00219 0.00288 127 2PX 0.01708 0.00982 0.00969 0.00091 0.00220 128 2PY 0.00241 0.00524 -0.01565 -0.00545 0.00675 129 2PZ 0.01647 -0.01201 0.00562 0.00093 -0.00286 130 3S 0.00414 0.00242 -0.03145 -0.00348 0.00274 131 3PX 0.01775 0.00662 -0.00158 0.00019 0.00166 132 3PY 0.00799 0.00053 -0.02574 -0.00341 0.00324 133 3PZ 0.00809 -0.00021 -0.00390 0.00031 -0.00093 134 4XX -0.00041 -0.00081 -0.00027 0.00001 -0.00005 135 4YY 0.00050 -0.00110 -0.00021 -0.00004 0.00004 136 4ZZ 0.00165 0.00089 0.00042 0.00019 -0.00024 137 4XY -0.00073 0.00113 -0.00177 -0.00006 0.00023 138 4XZ 0.00028 -0.00049 -0.00005 -0.00001 -0.00011 139 4YZ -0.00074 -0.00038 -0.00030 -0.00006 -0.00014 140 10 H 1S 0.00458 -0.00529 0.00051 -0.00087 0.00108 141 2S 0.00443 -0.00523 0.00055 -0.00158 0.00246 142 11 H 1S -0.01756 -0.01249 -0.01894 0.00070 -0.00167 143 2S -0.02266 -0.01125 -0.02766 0.00050 -0.00159 144 12 H 1S -0.00979 0.00057 -0.00542 0.00329 -0.00317 145 2S -0.01354 0.00083 -0.01403 0.00128 -0.00208 146 13 H 1S 0.01202 0.00031 0.00621 0.00145 -0.00184 147 2S 0.00834 -0.00081 0.01549 0.00218 -0.00243 148 14 C 1S 0.00188 -0.00929 -0.00107 -0.00141 0.00073 149 2S -0.00409 0.02098 0.00287 0.00275 -0.00139 150 2PX -0.03278 0.08808 0.02758 0.00342 -0.00607 151 2PY 0.00701 -0.00737 0.01148 -0.00149 -0.00294 152 2PZ 0.00001 0.05755 0.00621 0.00631 0.00315 153 3S -0.00210 0.04570 0.01299 0.00611 -0.00310 154 3PX -0.02144 0.03906 0.02430 0.00222 -0.00434 155 3PY -0.00280 -0.00758 0.00524 -0.00122 -0.00245 156 3PZ 0.00599 0.02597 -0.00692 0.00396 0.00259 157 4XX 0.00005 0.00169 -0.00048 -0.00012 -0.00018 158 4YY 0.00191 -0.00316 -0.00037 -0.00015 0.00023 159 4ZZ -0.00143 -0.00212 0.00001 -0.00001 0.00006 160 4XY -0.00127 -0.00110 -0.00232 -0.00014 -0.00022 161 4XZ -0.00205 0.00099 -0.00040 0.00016 -0.00006 162 4YZ -0.00019 -0.00253 -0.00132 -0.00016 -0.00014 163 15 H 1S 0.01661 -0.01715 0.00265 -0.00008 0.00080 164 2S 0.01423 -0.01693 0.01085 -0.00048 0.00153 165 16 H 1S -0.00201 -0.03608 -0.01665 -0.00181 0.00020 166 2S -0.00992 -0.03578 -0.01887 -0.00185 -0.00029 167 17 C 1S -0.00236 -0.00569 -0.00300 0.00277 -0.00472 168 2S 0.00358 0.02139 0.00617 -0.00598 0.00842 169 2PX 0.07967 0.03413 -0.08318 -0.00688 0.00511 170 2PY 0.01452 0.03145 -0.04581 0.00839 0.00131 171 2PZ -0.07794 -0.01602 0.12295 0.00091 -0.00422 172 3S 0.01757 -0.01263 0.00207 -0.00900 0.00966 173 3PX 0.05503 0.02061 -0.06468 -0.00323 0.00350 174 3PY 0.00931 0.02619 -0.03010 0.00391 0.00091 175 3PZ -0.05768 -0.00989 0.08492 0.00157 -0.00363 176 4XX 0.00106 0.00136 -0.00139 0.00050 -0.00003 177 4YY -0.00161 -0.00235 0.00237 -0.00027 -0.00017 178 4ZZ 0.00042 0.00091 -0.00222 0.00018 -0.00006 179 4XY -0.00403 -0.00113 0.00266 -0.00015 -0.00005 180 4XZ -0.00157 0.00096 0.00179 0.00006 0.00023 181 4YZ 0.00226 0.00108 -0.00532 -0.00049 0.00031 182 18 H 1S -0.00385 0.02052 0.00463 -0.00202 0.00362 183 2S -0.00885 0.00814 -0.00318 -0.00126 0.00119 184 19 H 1S -0.00432 0.00694 -0.00236 0.00373 0.00208 185 2S 0.00198 0.00454 0.00184 0.00463 -0.00050 106 107 108 109 110 106 4ZZ 0.00113 107 4XY 0.00021 0.00121 108 4XZ 0.00010 0.00019 0.00062 109 4YZ 0.00020 0.00034 -0.00013 0.00116 110 8 C 1S 0.00081 0.00400 -0.00295 0.00274 2.05531 111 2S -0.00151 -0.00746 0.00550 -0.00571 -0.05362 112 2PX 0.00332 0.00664 -0.00410 0.00855 -0.00042 113 2PY -0.00036 -0.00017 0.00552 0.00002 -0.00400 114 2PZ 0.00822 0.00782 0.00473 -0.00188 -0.00213 115 3S -0.00279 -0.01399 0.00456 -0.00579 -0.25335 116 3PX -0.00011 0.00344 -0.00258 0.00534 0.00528 117 3PY -0.00035 0.00135 0.00285 -0.00236 0.01430 118 3PZ 0.00454 0.00421 0.00213 -0.00069 0.02746 119 4XX -0.00010 -0.00010 0.00003 0.00029 -0.01500 120 4YY 0.00001 0.00021 -0.00012 -0.00017 -0.01577 121 4ZZ 0.00009 0.00023 -0.00007 0.00020 -0.01602 122 4XY 0.00048 0.00042 0.00013 -0.00016 -0.00106 123 4XZ 0.00011 0.00024 0.00066 -0.00015 -0.00213 124 4YZ 0.00033 0.00012 0.00006 0.00036 -0.00130 125 9 C 1S -0.00043 0.00001 0.00017 0.00101 0.01294 126 2S 0.00043 0.00005 -0.00014 -0.00242 -0.02558 127 2PX -0.00034 -0.00128 -0.00101 0.00362 -0.01921 128 2PY 0.00064 -0.00235 0.00063 -0.00656 -0.06149 129 2PZ -0.00020 0.00033 -0.00011 0.00064 0.02046 130 3S 0.00015 0.00262 -0.00046 -0.00247 0.02907 131 3PX -0.00082 -0.00005 -0.00024 0.00182 -0.00664 132 3PY 0.00026 0.00167 0.00038 -0.00354 0.00167 133 3PZ -0.00014 -0.00033 0.00014 -0.00066 -0.00994 134 4XX -0.00001 0.00014 -0.00007 0.00014 0.00115 135 4YY 0.00005 -0.00017 0.00028 -0.00029 -0.00533 136 4ZZ -0.00006 -0.00003 -0.00011 0.00020 0.00256 137 4XY 0.00007 0.00014 -0.00007 0.00003 -0.00210 138 4XZ 0.00003 0.00013 0.00007 -0.00008 0.00136 139 4YZ 0.00023 0.00032 0.00011 0.00014 0.00256 140 10 H 1S -0.00002 -0.00076 -0.00029 0.00001 -0.00817 141 2S -0.00048 -0.00089 -0.00060 -0.00029 -0.01384 142 11 H 1S 0.00022 0.00047 0.00089 -0.00075 -0.00157 143 2S 0.00020 0.00102 0.00093 0.00013 0.00016 144 12 H 1S 0.00434 0.00319 0.00512 0.00011 -0.05774 145 2S 0.00443 0.00484 0.00367 0.00182 -0.01541 146 13 H 1S -0.00055 -0.00017 -0.00061 0.00127 0.01237 147 2S -0.00068 -0.00079 -0.00063 0.00159 0.01736 148 14 C 1S -0.00052 -0.00015 -0.00100 0.00073 0.00164 149 2S 0.00104 0.00024 0.00194 -0.00138 -0.00392 150 2PX 0.00746 -0.00335 0.00379 -0.00046 -0.00672 151 2PY 0.00537 -0.00326 -0.00034 0.00267 -0.00026 152 2PZ -0.00651 0.00663 0.00358 -0.00425 -0.00388 153 3S 0.00163 -0.00082 0.00364 -0.00439 -0.01704 154 3PX 0.00487 -0.00414 0.00154 -0.00047 -0.00730 155 3PY 0.00399 -0.00201 -0.00011 0.00192 0.00057 156 3PZ -0.00533 0.00457 0.00211 -0.00381 -0.00431 157 4XX 0.00044 -0.00009 0.00012 0.00017 0.00013 158 4YY -0.00019 -0.00009 -0.00023 -0.00001 -0.00006 159 4ZZ -0.00027 0.00023 -0.00001 0.00007 0.00026 160 4XY 0.00010 0.00007 0.00009 0.00005 0.00026 161 4XZ -0.00008 0.00032 0.00023 0.00003 0.00030 162 4YZ 0.00015 -0.00009 -0.00003 0.00010 0.00019 163 15 H 1S -0.00010 -0.00058 -0.00073 0.00026 -0.00116 164 2S -0.00055 -0.00194 -0.00168 0.00051 -0.00148 165 16 H 1S -0.00061 0.00009 -0.00101 0.00061 0.00313 166 2S -0.00034 0.00089 -0.00053 0.00112 0.00469 167 17 C 1S 0.00259 0.00166 0.00117 -0.00149 -0.00419 168 2S -0.00575 -0.00306 -0.00273 0.00263 0.00749 169 2PX -0.00147 0.01285 0.00161 0.00185 0.00836 170 2PY 0.00713 0.00426 0.00415 -0.00391 -0.01116 171 2PZ 0.00676 0.00128 -0.00232 0.01266 0.00528 172 3S -0.00620 -0.00254 -0.00499 0.00277 0.02361 173 3PX -0.00154 0.00671 0.00159 -0.00207 0.00109 174 3PY 0.00175 0.00230 0.00267 -0.00257 -0.00898 175 3PZ 0.00351 -0.00249 -0.00183 0.00720 -0.00224 176 4XX 0.00014 -0.00012 0.00013 -0.00038 -0.00123 177 4YY -0.00028 -0.00016 0.00001 0.00024 -0.00007 178 4ZZ 0.00041 0.00036 0.00012 0.00006 0.00006 179 4XY 0.00044 0.00063 -0.00010 0.00076 0.00200 180 4XZ 0.00009 -0.00009 -0.00001 0.00015 0.00013 181 4YZ 0.00002 0.00073 0.00006 0.00042 0.00148 182 18 H 1S 0.00291 0.00617 0.00002 0.00647 0.00763 183 2S 0.00409 0.00685 0.00082 0.00585 0.00847 184 19 H 1S -0.00159 -0.00724 0.00026 -0.00549 -0.00992 185 2S -0.00041 -0.00659 0.00107 -0.00590 -0.01444 111 112 113 114 115 111 2S 0.30506 112 2PX -0.00955 0.38267 113 2PY 0.00542 0.00791 0.40807 114 2PZ 0.01763 0.02629 0.00145 0.38716 115 3S 0.35852 0.03841 0.01610 -0.13638 0.62753 116 3PX 0.00125 0.22306 -0.01119 -0.00976 0.03238 117 3PY -0.01144 -0.03563 0.18702 0.03736 -0.06501 118 3PZ -0.01973 -0.01407 0.00435 0.22345 -0.16134 119 4XX -0.00536 -0.00307 0.00733 -0.00435 -0.00539 120 4YY -0.00306 -0.00131 -0.01078 0.00762 -0.00701 121 4ZZ -0.00308 0.01005 0.00609 -0.00332 0.00074 122 4XY 0.00257 0.00734 -0.00258 0.01233 0.00010 123 4XZ 0.00488 -0.00667 0.01162 0.01038 0.00068 124 4YZ 0.00276 0.01180 0.00837 0.00705 0.00482 125 9 C 1S -0.02268 0.01593 0.06484 -0.02042 -0.00330 126 2S 0.04297 -0.03140 -0.13252 0.04387 0.00977 127 2PX 0.04166 0.03543 -0.09062 -0.00298 0.02989 128 2PY 0.12743 -0.08342 -0.27020 0.10165 0.10685 129 2PZ -0.03913 -0.00319 0.07728 -0.00127 -0.05501 130 3S -0.01551 -0.04961 -0.12214 0.04344 -0.09631 131 3PX 0.01378 0.00588 -0.03128 0.00146 -0.00210 132 3PY 0.01648 -0.03922 -0.08727 0.06746 -0.02740 133 3PZ 0.00058 -0.00269 0.02587 -0.00214 0.00873 134 4XX -0.00288 0.00574 0.00466 -0.00141 -0.00116 135 4YY 0.00995 -0.00554 -0.00251 0.00769 0.00821 136 4ZZ -0.00537 0.00140 0.00719 -0.00647 -0.00578 137 4XY 0.00342 0.00833 -0.00514 0.00286 0.00525 138 4XZ -0.00266 -0.00167 0.00497 0.00169 -0.00443 139 4YZ -0.00455 0.00328 0.00809 0.00713 -0.00765 140 10 H 1S 0.01913 -0.00992 -0.03733 0.00911 0.03334 141 2S 0.02691 -0.01747 -0.06576 0.01564 0.04027 142 11 H 1S 0.00576 -0.00409 -0.00425 -0.00165 -0.00093 143 2S 0.00506 0.00377 -0.01537 -0.01381 0.01135 144 12 H 1S 0.11311 0.12694 0.14684 0.18436 0.09149 145 2S 0.03354 0.09616 0.10974 0.14591 0.01125 146 13 H 1S -0.02788 0.00179 0.03941 -0.02939 -0.03902 147 2S -0.03231 0.00396 0.06345 -0.04847 -0.03030 148 14 C 1S -0.00417 0.00796 -0.00336 0.00529 -0.01129 149 2S 0.00793 -0.01716 0.00752 -0.01131 0.02705 150 2PX 0.01230 -0.02856 0.01486 -0.01634 0.08056 151 2PY -0.00118 0.00138 -0.00021 0.00030 0.00921 152 2PZ 0.00951 -0.01209 0.00523 -0.00828 0.03031 153 3S 0.02849 -0.07123 0.03590 -0.03311 0.07244 154 3PX 0.01248 -0.03119 0.01841 -0.01841 0.05754 155 3PY -0.00469 0.00248 0.00016 0.00310 -0.00329 156 3PZ 0.00771 -0.01498 0.00603 -0.00253 0.01003 157 4XX -0.00023 -0.00016 -0.00016 0.00070 0.00062 158 4YY -0.00001 0.00043 -0.00031 -0.00003 -0.00169 159 4ZZ -0.00081 0.00129 -0.00015 0.00074 -0.00286 160 4XY -0.00077 0.00106 -0.00010 0.00092 -0.00228 161 4XZ -0.00051 0.00087 -0.00004 0.00059 -0.00054 162 4YZ -0.00044 0.00053 -0.00027 0.00061 -0.00185 163 15 H 1S 0.00254 -0.00270 -0.00034 -0.00298 -0.00094 164 2S 0.00410 -0.00128 -0.00173 -0.00563 0.00675 165 16 H 1S -0.00621 0.01019 -0.00365 0.00698 -0.03127 166 2S -0.01063 0.02001 -0.00460 0.01556 -0.03831 167 17 C 1S 0.01007 -0.00979 0.01405 -0.00148 0.01084 168 2S -0.01953 0.02338 -0.03267 -0.00273 -0.01470 169 2PX -0.01656 0.00715 -0.03008 0.01045 -0.07294 170 2PY 0.02790 -0.03836 0.02603 -0.01156 0.05397 171 2PZ -0.01587 0.00626 -0.00014 -0.01784 -0.00218 172 3S -0.03860 0.03511 -0.05998 0.02831 -0.08619 173 3PX -0.00328 -0.01708 -0.01027 0.01670 -0.04255 174 3PY 0.01580 -0.02754 0.01124 -0.02011 0.03771 175 3PZ -0.00432 -0.00154 0.01205 -0.03026 0.02763 176 4XX 0.00249 -0.00214 0.00341 -0.00245 0.00557 177 4YY -0.00018 -0.00167 0.00122 -0.00015 -0.00132 178 4ZZ -0.00004 0.00158 -0.00101 -0.00002 0.00081 179 4XY -0.00383 0.00621 -0.00594 0.00311 -0.00586 180 4XZ -0.00001 0.00002 0.00025 0.00066 0.00126 181 4YZ -0.00290 0.00622 -0.00430 0.00090 -0.00543 182 18 H 1S -0.01708 0.01941 -0.02447 0.00124 -0.02525 183 2S -0.01597 0.03551 -0.02210 0.01780 -0.03208 184 19 H 1S 0.02107 -0.02776 0.02653 -0.00991 0.05488 185 2S 0.02971 -0.05313 0.05205 -0.01315 0.05977 116 117 118 119 120 116 3PX 0.15173 117 3PY -0.03328 0.12653 118 3PZ -0.01664 0.03326 0.16122 119 4XX -0.00085 0.00291 0.00016 0.00107 120 4YY -0.00099 -0.00243 0.00423 -0.00042 0.00124 121 4ZZ 0.00520 0.00136 -0.00288 0.00010 -0.00031 122 4XY 0.00350 -0.00057 0.00531 -0.00022 0.00007 123 4XZ -0.00476 0.00653 0.00524 -0.00022 0.00009 124 4YZ 0.00550 0.00148 0.00289 0.00011 -0.00024 125 9 C 1S 0.00856 0.01538 0.00008 0.00228 -0.00588 126 2S -0.01678 -0.03938 0.00663 -0.00514 0.01073 127 2PX 0.01709 -0.04385 0.00106 -0.00667 0.00561 128 2PY -0.03404 -0.11721 0.05156 -0.00637 0.00351 129 2PZ 0.00802 0.03061 0.00497 0.00267 -0.00768 130 3S -0.03146 -0.01017 0.02158 -0.00417 0.01060 131 3PX -0.00252 -0.00688 0.00163 -0.00437 0.00492 132 3PY -0.02112 -0.01553 0.03894 -0.00243 0.00210 133 3PZ 0.00314 0.00589 -0.00518 0.00070 -0.00319 134 4XX 0.00410 0.00078 -0.00022 0.00032 -0.00055 135 4YY -0.00356 -0.00043 0.00496 -0.00021 0.00005 136 4ZZ 0.00052 0.00347 -0.00351 0.00007 -0.00009 137 4XY 0.00504 -0.00311 0.00013 -0.00026 0.00018 138 4XZ -0.00065 0.00307 0.00073 0.00018 -0.00004 139 4YZ 0.00024 0.00445 0.00475 0.00008 0.00018 140 10 H 1S -0.00288 -0.02847 0.01494 -0.00055 -0.00108 141 2S -0.00530 -0.03852 0.01437 -0.00130 -0.00033 142 11 H 1S -0.00277 0.00385 0.00156 0.00000 0.00019 143 2S -0.00224 -0.00956 -0.01415 -0.00055 -0.00001 144 12 H 1S 0.05772 0.06275 0.08384 -0.00212 -0.00167 145 2S 0.03519 0.04426 0.06272 -0.00170 -0.00081 146 13 H 1S 0.00526 0.02036 -0.01964 0.00032 -0.00072 147 2S 0.00706 0.02597 -0.02608 0.00188 -0.00319 148 14 C 1S 0.00646 -0.00551 0.00347 0.00018 -0.00027 149 2S -0.01562 0.01044 -0.00922 -0.00045 0.00044 150 2PX -0.04011 0.01094 -0.01648 0.00046 -0.00050 151 2PY -0.00409 -0.00319 0.00460 0.00013 -0.00047 152 2PZ -0.01328 0.02056 -0.02435 -0.00135 0.00188 153 3S -0.05411 0.02313 -0.02765 0.00001 -0.00142 154 3PX -0.03138 0.00619 -0.01312 0.00108 -0.00160 155 3PY 0.00038 0.00003 0.00773 0.00085 -0.00095 156 3PZ -0.01070 0.01457 -0.01271 -0.00107 0.00093 157 4XX -0.00084 0.00005 0.00059 -0.00005 0.00003 158 4YY 0.00108 -0.00003 0.00031 -0.00006 0.00005 159 4ZZ 0.00137 -0.00066 0.00054 0.00016 -0.00011 160 4XY 0.00063 -0.00106 0.00078 0.00009 -0.00015 161 4XZ 0.00043 0.00002 0.00000 0.00009 -0.00007 162 4YZ 0.00048 -0.00077 0.00097 0.00004 -0.00006 163 15 H 1S 0.00086 0.00372 -0.00010 -0.00064 0.00057 164 2S 0.00196 0.00136 -0.00178 -0.00060 0.00074 165 16 H 1S 0.01352 -0.00847 0.01088 0.00053 -0.00068 166 2S 0.01815 -0.01027 0.01464 0.00097 -0.00120 167 17 C 1S -0.00717 0.00614 0.00158 0.00035 -0.00157 168 2S 0.01672 -0.01480 -0.00776 -0.00088 0.00330 169 2PX 0.01351 0.00650 -0.00485 -0.00623 0.00681 170 2PY -0.04952 0.01137 -0.02949 -0.00214 -0.00542 171 2PZ -0.00173 -0.02793 -0.00176 0.00707 -0.00403 172 3S 0.03291 -0.01526 0.02808 -0.00087 0.00503 173 3PX -0.00921 0.01772 0.00253 -0.00446 0.00431 174 3PY -0.02809 0.00498 -0.02680 -0.00144 -0.00209 175 3PZ -0.00645 -0.01552 -0.01400 0.00479 -0.00332 176 4XX -0.00217 0.00158 -0.00245 -0.00009 -0.00026 177 4YY 0.00004 0.00011 0.00096 0.00027 -0.00001 178 4ZZ 0.00033 -0.00107 -0.00095 -0.00014 -0.00012 179 4XY 0.00358 -0.00415 0.00185 0.00016 -0.00001 180 4XZ -0.00082 -0.00048 -0.00026 0.00008 -0.00013 181 4YZ 0.00431 -0.00216 -0.00026 -0.00028 0.00028 182 18 H 1S 0.00505 -0.01807 -0.00984 -0.00029 0.00022 183 2S 0.01644 -0.01887 0.00324 0.00001 -0.00042 184 19 H 1S -0.02694 0.01347 -0.01088 0.00013 -0.00259 185 2S -0.04304 0.02923 -0.00988 0.00037 -0.00279 121 122 123 124 125 121 4ZZ 0.00087 122 4XY 0.00014 0.00117 123 4XZ -0.00014 0.00007 0.00142 124 4YZ 0.00015 0.00040 0.00023 0.00114 125 9 C 1S 0.00187 -0.00240 0.00082 0.00310 2.05347 126 2S -0.00426 0.00462 -0.00159 -0.00570 -0.06323 127 2PX -0.00145 -0.00985 0.00330 -0.00201 0.00273 128 2PY -0.00544 0.00577 -0.00382 -0.00628 0.00569 129 2PZ 0.00787 -0.00294 -0.00270 -0.00807 -0.00109 130 3S -0.00386 0.00257 -0.00144 -0.00765 -0.16671 131 3PX -0.00174 -0.00624 0.00409 -0.00079 -0.00285 132 3PY -0.00166 0.00388 -0.00088 -0.00341 -0.00339 133 3PZ 0.00335 0.00088 -0.00164 -0.00324 -0.00349 134 4XX 0.00036 0.00019 -0.00026 0.00027 -0.01242 135 4YY -0.00031 0.00003 0.00047 0.00006 -0.01583 136 4ZZ 0.00033 -0.00045 0.00002 -0.00023 -0.01960 137 4XY 0.00008 0.00047 -0.00022 0.00026 -0.00134 138 4XZ 0.00007 0.00032 0.00007 -0.00010 -0.00300 139 4YZ -0.00008 0.00019 0.00049 0.00068 0.00208 140 10 H 1S 0.00004 -0.00155 -0.00076 -0.00148 0.01328 141 2S -0.00075 -0.00143 -0.00122 -0.00204 0.01589 142 11 H 1S 0.00053 0.00012 -0.00027 -0.00011 -0.00818 143 2S 0.00088 0.00078 0.00027 0.00042 -0.01081 144 12 H 1S 0.00294 0.00834 0.00910 0.01130 0.00907 145 2S 0.00276 0.00690 0.00769 0.00902 0.00697 146 13 H 1S 0.00380 -0.00319 -0.00134 -0.00616 -0.06246 147 2S 0.00378 -0.00402 -0.00112 -0.00392 -0.01559 148 14 C 1S 0.00017 0.00040 0.00054 0.00032 0.00022 149 2S -0.00051 -0.00091 -0.00090 -0.00071 -0.00036 150 2PX -0.00035 -0.00057 -0.00265 -0.00083 -0.00076 151 2PY 0.00013 0.00038 -0.00095 0.00047 0.00000 152 2PZ -0.00081 -0.00149 0.00074 -0.00120 -0.00210 153 3S -0.00076 -0.00118 0.00013 -0.00208 0.00180 154 3PX -0.00026 -0.00021 -0.00150 -0.00027 0.00047 155 3PY 0.00037 0.00074 -0.00094 0.00009 0.00174 156 3PZ -0.00023 -0.00069 0.00143 -0.00119 -0.00049 157 4XX 0.00002 0.00004 0.00000 -0.00002 -0.00011 158 4YY -0.00002 -0.00003 0.00003 0.00002 0.00002 159 4ZZ 0.00005 0.00008 0.00007 0.00008 0.00013 160 4XY 0.00014 0.00018 0.00011 0.00001 0.00003 161 4XZ 0.00005 0.00008 0.00002 0.00002 0.00004 162 4YZ 0.00005 0.00008 0.00004 0.00003 -0.00001 163 15 H 1S -0.00044 -0.00058 -0.00006 0.00004 -0.00015 164 2S -0.00080 -0.00107 -0.00028 0.00048 -0.00061 165 16 H 1S 0.00056 0.00083 0.00057 0.00042 0.00084 166 2S 0.00112 0.00174 0.00082 0.00078 0.00083 167 17 C 1S 0.00064 0.00113 0.00116 0.00046 0.00152 168 2S -0.00109 -0.00237 -0.00236 -0.00091 -0.00345 169 2PX 0.00045 -0.00118 0.00271 -0.00497 -0.00861 170 2PY 0.00314 0.00644 0.00535 -0.00023 0.00119 171 2PZ -0.00218 -0.00201 -0.00472 0.00514 0.00674 172 3S -0.00170 -0.00129 -0.00350 -0.00126 -0.00175 173 3PX 0.00010 0.00002 0.00302 -0.00352 -0.00707 174 3PY 0.00142 0.00186 0.00279 -0.00117 -0.00179 175 3PZ -0.00125 -0.00233 -0.00328 0.00348 0.00387 176 4XX 0.00013 0.00014 0.00020 -0.00002 0.00037 177 4YY -0.00014 -0.00027 -0.00003 0.00001 0.00028 178 4ZZ 0.00017 0.00027 0.00009 0.00002 -0.00005 179 4XY 0.00003 0.00025 -0.00030 0.00027 -0.00032 180 4XZ -0.00001 0.00009 0.00000 0.00013 0.00012 181 4YZ 0.00020 0.00013 0.00001 -0.00013 -0.00038 182 18 H 1S 0.00033 0.00088 -0.00036 0.00044 -0.00175 183 2S 0.00105 0.00242 0.00007 0.00122 -0.00035 184 19 H 1S 0.00047 0.00131 0.00137 0.00019 0.00234 185 2S -0.00001 0.00030 0.00254 0.00007 0.00354 126 127 128 129 130 126 2S 0.32638 127 2PX -0.00627 0.35796 128 2PY -0.00505 0.01764 0.39547 129 2PZ -0.00023 0.03159 0.00286 0.41513 130 3S 0.26256 0.01259 -0.00895 0.01810 0.26180 131 3PX 0.00788 0.20847 -0.02730 -0.02345 0.01954 132 3PY 0.00519 -0.03029 0.14272 0.01398 0.01747 133 3PZ 0.02143 -0.03462 0.01454 0.15272 0.01009 134 4XX -0.01300 -0.00842 0.00157 0.00182 -0.01032 135 4YY -0.00567 0.00510 0.01056 -0.00487 -0.00458 136 4ZZ 0.00187 0.00643 -0.01117 0.01089 0.00379 137 4XY 0.00314 -0.00403 0.00347 -0.00554 0.00101 138 4XZ 0.00651 -0.00869 -0.00481 0.00465 0.00515 139 4YZ -0.00397 -0.00313 -0.00971 -0.01335 -0.00342 140 10 H 1S -0.02776 0.02203 0.03605 0.01564 -0.04212 141 2S -0.02877 0.03597 0.07575 0.02252 -0.03869 142 11 H 1S 0.01730 -0.01606 -0.01277 -0.02093 0.05565 143 2S 0.02264 -0.02174 -0.01755 -0.04401 0.04919 144 12 H 1S -0.01908 -0.01675 -0.03476 -0.01062 -0.04598 145 2S -0.01526 -0.02433 -0.05315 -0.02190 -0.02835 146 13 H 1S 0.11951 0.06282 -0.08313 0.24155 0.11188 147 2S 0.03267 0.05415 -0.07283 0.19912 0.03730 148 14 C 1S -0.00025 0.00186 -0.00213 -0.00058 -0.00227 149 2S 0.00035 -0.00277 0.00398 0.00128 0.00204 150 2PX 0.00166 -0.02808 0.01196 0.00773 -0.00590 151 2PY 0.00122 -0.01673 0.00504 0.00532 0.00072 152 2PZ 0.00209 0.02568 -0.00778 -0.01323 0.01653 153 3S -0.00728 -0.01671 0.01052 0.01740 -0.00794 154 3PX -0.00203 -0.02630 0.00459 0.00962 -0.00934 155 3PY -0.00275 -0.01783 0.00766 0.01400 -0.00249 156 3PZ -0.00068 0.01881 -0.00329 -0.00432 0.01088 157 4XX 0.00036 -0.00068 0.00043 -0.00019 0.00003 158 4YY 0.00001 0.00094 -0.00027 -0.00017 0.00016 159 4ZZ -0.00041 0.00013 -0.00070 0.00017 -0.00020 160 4XY -0.00006 -0.00172 0.00040 0.00063 -0.00003 161 4XZ -0.00017 -0.00049 -0.00007 0.00027 0.00013 162 4YZ 0.00009 -0.00073 0.00005 0.00000 0.00006 163 15 H 1S 0.00065 0.00623 -0.00187 -0.00248 0.00374 164 2S 0.00156 0.01373 -0.00809 -0.00934 0.00038 165 16 H 1S -0.00152 -0.00312 -0.00002 0.00258 -0.00338 166 2S -0.00174 -0.00957 -0.00089 0.00465 -0.00074 167 17 C 1S -0.00365 -0.00330 -0.00660 0.00255 -0.00434 168 2S 0.00795 0.00776 0.01468 -0.00551 0.00913 169 2PX 0.02082 0.00018 0.03713 -0.00693 0.05256 170 2PY -0.00503 -0.01400 -0.00430 0.00799 -0.00340 171 2PZ -0.01919 0.01144 -0.03350 0.00584 -0.02584 172 3S 0.01155 0.00193 0.03724 -0.00680 0.01836 173 3PX 0.01620 -0.00537 0.02485 -0.01185 0.03735 174 3PY 0.00019 -0.00148 -0.00186 0.00331 0.00315 175 3PZ -0.01435 0.01254 -0.03663 0.00340 -0.02482 176 4XX -0.00073 -0.00046 -0.00161 0.00053 -0.00120 177 4YY -0.00048 -0.00041 -0.00071 0.00038 -0.00063 178 4ZZ 0.00014 -0.00055 0.00057 0.00011 0.00017 179 4XY 0.00044 0.00046 0.00139 -0.00064 0.00081 180 4XZ -0.00039 -0.00015 -0.00039 0.00003 -0.00076 181 4YZ 0.00122 -0.00023 0.00181 -0.00039 0.00257 182 18 H 1S 0.00226 0.00072 0.00671 -0.00114 0.01187 183 2S 0.00118 -0.00668 0.00770 -0.00037 0.00942 184 19 H 1S -0.00551 -0.00377 -0.01033 0.00368 -0.01760 185 2S -0.00858 -0.00314 -0.02311 0.00408 -0.01825 131 132 133 134 135 131 3PX 0.13495 132 3PY -0.02692 0.07237 133 3PZ -0.03674 0.01267 0.06937 134 4XX -0.00613 0.00117 0.00119 0.00099 135 4YY 0.00289 0.00302 -0.00225 0.00018 0.00130 136 4ZZ 0.00396 -0.00388 0.00303 -0.00015 -0.00063 137 4XY -0.00250 0.00143 -0.00087 0.00014 0.00012 138 4XZ -0.00466 -0.00009 0.00306 -0.00006 -0.00048 139 4YZ 0.00070 -0.00272 -0.00550 0.00009 0.00013 140 10 H 1S 0.00971 0.00920 0.00717 0.00156 0.00822 141 2S 0.01352 0.02229 0.00913 0.00141 0.00799 142 11 H 1S -0.01454 -0.01072 -0.02086 -0.00049 0.00053 143 2S -0.01384 -0.01415 -0.02434 -0.00062 0.00029 144 12 H 1S -0.00655 -0.00998 0.00107 0.00163 0.00424 145 2S -0.00658 -0.01280 -0.00582 0.00113 0.00130 146 13 H 1S 0.02451 -0.02640 0.08737 -0.00520 -0.00729 147 2S 0.01890 -0.02581 0.06665 -0.00212 -0.00615 148 14 C 1S 0.00136 -0.00186 0.00009 0.00021 0.00010 149 2S -0.00168 0.00311 0.00114 -0.00043 -0.00027 150 2PX -0.02547 0.00050 0.01139 -0.00035 -0.00109 151 2PY -0.01542 -0.00404 0.00227 0.00045 -0.00054 152 2PZ 0.02922 0.00793 -0.01019 -0.00092 0.00107 153 3S -0.01076 0.00448 0.01069 -0.00096 -0.00006 154 3PX -0.02313 -0.00473 0.00903 -0.00020 -0.00079 155 3PY -0.01738 0.00140 0.00654 0.00069 -0.00056 156 3PZ 0.02080 0.00701 -0.00526 -0.00065 0.00121 157 4XX -0.00060 0.00005 0.00028 0.00000 0.00001 158 4YY 0.00089 -0.00006 -0.00038 0.00001 0.00004 159 4ZZ 0.00002 -0.00021 -0.00017 0.00003 -0.00003 160 4XY -0.00169 0.00010 0.00054 0.00004 -0.00009 161 4XZ -0.00040 0.00028 0.00012 0.00003 -0.00004 162 4YZ -0.00086 -0.00028 0.00004 0.00001 -0.00003 163 15 H 1S 0.00668 -0.00101 -0.00409 -0.00005 0.00041 164 2S 0.01239 -0.00633 -0.00705 -0.00026 0.00073 165 16 H 1S -0.00485 -0.00064 0.00132 0.00027 -0.00032 166 2S -0.01029 -0.00054 0.00184 0.00060 -0.00045 167 17 C 1S -0.00284 -0.00388 0.00019 -0.00015 0.00048 168 2S 0.00609 0.00763 -0.00114 0.00035 -0.00100 169 2PX 0.01355 0.04201 -0.00090 0.00035 -0.00017 170 2PY -0.00941 0.00346 0.00609 -0.00119 0.00144 171 2PZ -0.00838 -0.03673 -0.01043 0.00011 -0.00131 172 3S 0.00352 0.02416 -0.00195 0.00127 -0.00060 173 3PX 0.00934 0.03149 -0.00228 -0.00032 0.00079 174 3PY 0.00012 0.00213 0.00286 -0.00095 0.00058 175 3PZ -0.00179 -0.03461 -0.00608 -0.00031 -0.00100 176 4XX -0.00007 -0.00067 0.00047 -0.00005 0.00006 177 4YY -0.00027 -0.00079 0.00003 0.00003 0.00000 178 4ZZ -0.00062 0.00030 0.00024 0.00002 -0.00002 179 4XY -0.00076 0.00012 -0.00079 0.00009 -0.00012 180 4XZ -0.00036 -0.00051 -0.00008 -0.00001 0.00001 181 4YZ -0.00013 0.00175 0.00003 0.00012 -0.00016 182 18 H 1S -0.00268 0.00508 -0.00347 0.00025 -0.00078 183 2S -0.00931 0.00504 -0.00240 0.00072 -0.00074 184 19 H 1S -0.00180 -0.00786 0.00505 -0.00076 0.00088 185 2S 0.00184 -0.01216 0.00367 -0.00125 0.00135 136 137 138 139 140 136 4ZZ 0.00141 137 4XY -0.00047 0.00056 138 4XZ 0.00033 -0.00003 0.00061 139 4YZ -0.00025 0.00014 -0.00001 0.00108 140 10 H 1S -0.00590 0.00367 -0.00240 0.00162 0.21396 141 2S -0.00646 0.00277 -0.00357 -0.00079 0.15793 142 11 H 1S -0.00259 0.00051 -0.00091 0.00057 -0.01936 143 2S -0.00314 0.00124 -0.00110 0.00105 -0.01661 144 12 H 1S -0.00230 0.00350 0.00111 0.00614 -0.01010 145 2S -0.00102 0.00225 0.00144 0.00639 -0.02009 146 13 H 1S 0.01192 -0.00396 0.00527 -0.00821 -0.02148 147 2S 0.01056 -0.00447 0.00351 -0.00630 -0.02373 148 14 C 1S -0.00033 0.00019 0.00002 0.00019 0.00124 149 2S 0.00079 -0.00045 -0.00001 -0.00039 -0.00298 150 2PX 0.00147 -0.00075 0.00034 -0.00065 -0.00869 151 2PY 0.00034 0.00038 0.00044 -0.00023 -0.00210 152 2PZ -0.00102 -0.00036 -0.00073 -0.00005 0.00276 153 3S 0.00195 -0.00230 0.00098 -0.00149 -0.00807 154 3PX 0.00118 -0.00101 0.00066 -0.00072 -0.00926 155 3PY 0.00037 0.00010 0.00052 -0.00042 -0.00259 156 3PZ -0.00082 -0.00048 -0.00047 -0.00006 0.00433 157 4XX 0.00000 0.00002 0.00000 0.00003 0.00016 158 4YY -0.00004 0.00003 -0.00001 -0.00001 0.00025 159 4ZZ -0.00001 -0.00002 0.00003 0.00003 -0.00037 160 4XY 0.00007 0.00000 0.00006 0.00004 -0.00077 161 4XZ 0.00000 -0.00001 0.00003 0.00001 -0.00041 162 4YZ 0.00002 0.00001 0.00001 0.00004 -0.00027 163 15 H 1S -0.00028 0.00019 -0.00016 -0.00016 0.00352 164 2S -0.00065 0.00025 -0.00056 0.00002 0.00666 165 16 H 1S 0.00025 0.00008 0.00021 0.00028 -0.00203 166 2S -0.00011 0.00029 0.00038 0.00050 -0.00426 167 17 C 1S 0.00011 -0.00063 0.00032 0.00002 -0.00101 168 2S -0.00016 0.00143 -0.00070 -0.00029 0.00267 169 2PX -0.00049 0.00238 -0.00001 -0.00017 0.00275 170 2PY -0.00029 -0.00167 0.00123 -0.00051 -0.00065 171 2PZ 0.00050 -0.00170 -0.00031 -0.00018 -0.00157 172 3S -0.00124 0.00222 -0.00053 -0.00013 0.00737 173 3PX -0.00078 0.00117 0.00010 0.00034 0.00132 174 3PY 0.00016 -0.00091 0.00032 -0.00056 -0.00025 175 3PZ 0.00097 -0.00153 -0.00046 -0.00020 -0.00202 176 4XX 0.00005 -0.00010 0.00005 -0.00004 -0.00016 177 4YY 0.00001 -0.00006 0.00000 0.00001 -0.00006 178 4ZZ -0.00003 0.00004 0.00003 -0.00002 0.00003 179 4XY -0.00013 0.00015 -0.00004 0.00004 0.00016 180 4XZ -0.00003 -0.00003 0.00001 0.00002 -0.00001 181 4YZ -0.00003 0.00026 -0.00001 0.00001 -0.00008 182 18 H 1S -0.00042 0.00066 0.00002 -0.00017 0.00048 183 2S -0.00070 0.00100 0.00028 0.00028 -0.00138 184 19 H 1S 0.00027 -0.00125 0.00029 -0.00014 -0.00040 185 2S 0.00074 -0.00211 0.00044 0.00016 -0.00214 141 142 143 144 145 141 2S 0.13396 142 11 H 1S -0.02228 0.22093 143 2S -0.01868 0.16499 0.14526 144 12 H 1S -0.01702 0.00137 -0.00075 0.21418 145 2S -0.02629 0.00392 0.01107 0.15139 0.12657 146 13 H 1S -0.02308 -0.01043 -0.02115 -0.02038 -0.01937 147 2S -0.02560 -0.01840 -0.02864 -0.01973 -0.01833 148 14 C 1S 0.00254 0.00711 0.00462 0.00335 0.00570 149 2S -0.00518 -0.01635 -0.01155 -0.00714 -0.01103 150 2PX -0.01721 -0.01804 -0.03385 -0.01068 -0.01846 151 2PY -0.00589 0.01434 0.00041 -0.00023 -0.00246 152 2PZ 0.00994 0.00342 -0.01353 -0.00466 -0.00939 153 3S -0.01373 -0.03041 -0.02552 -0.01547 -0.01899 154 3PX -0.01542 -0.00376 -0.01213 -0.00817 -0.01169 155 3PY -0.00521 0.00310 -0.00251 -0.00014 -0.00198 156 3PZ 0.00903 0.00654 0.00031 -0.00144 -0.00279 157 4XX -0.00009 -0.00031 -0.00096 0.00013 0.00007 158 4YY 0.00068 0.00088 0.00078 -0.00002 -0.00009 159 4ZZ -0.00037 0.00039 0.00142 0.00068 0.00124 160 4XY -0.00149 0.00024 0.00214 0.00088 0.00175 161 4XZ -0.00059 -0.00027 0.00044 0.00050 0.00075 162 4YZ -0.00064 0.00072 0.00199 0.00044 0.00087 163 15 H 1S 0.00593 0.00631 0.00057 -0.00232 -0.00515 164 2S 0.01102 0.00936 -0.00041 -0.00335 -0.00731 165 16 H 1S -0.00395 -0.00352 0.01735 0.00531 0.01062 166 2S -0.00687 0.01138 0.02899 0.01160 0.01836 167 17 C 1S -0.00291 0.00328 0.00618 0.00714 0.00466 168 2S 0.00671 -0.00656 -0.01102 -0.01657 -0.01144 169 2PX 0.00611 0.00121 0.00491 -0.01063 0.00339 170 2PY -0.00521 0.01119 0.02384 0.01775 0.03693 171 2PZ -0.00531 0.00074 0.00242 -0.01027 0.00256 172 3S 0.01578 -0.01646 -0.02478 -0.01942 -0.01841 173 3PX 0.00457 0.00263 0.00373 -0.00258 0.00361 174 3PY -0.00262 0.00883 0.01592 -0.00046 0.01086 175 3PZ -0.00498 0.00189 0.00254 -0.01050 -0.00464 176 4XX -0.00034 0.00005 0.00020 0.00072 0.00061 177 4YY -0.00013 0.00026 0.00017 -0.00049 -0.00088 178 4ZZ -0.00017 0.00060 0.00133 0.00068 0.00159 179 4XY 0.00018 0.00091 0.00170 0.00021 0.00179 180 4XZ -0.00006 0.00013 0.00021 0.00066 0.00121 181 4YZ -0.00017 0.00082 0.00173 0.00005 0.00146 182 18 H 1S -0.00028 0.00542 0.01199 -0.00336 0.01671 183 2S -0.00393 0.01061 0.01878 0.01097 0.02650 184 19 H 1S -0.00082 -0.00254 -0.00523 0.00612 0.00079 185 2S -0.00364 -0.00293 -0.00732 0.00831 -0.00007 146 147 148 149 150 146 13 H 1S 0.21403 147 2S 0.15704 0.13117 148 14 C 1S -0.00092 -0.00208 2.05313 149 2S 0.00224 0.00445 -0.06250 0.31859 150 2PX 0.00393 0.00846 -0.00125 -0.00046 0.40295 151 2PY 0.00107 0.00227 0.00039 0.00079 -0.02109 152 2PZ -0.00349 -0.00745 -0.00060 -0.00171 0.03131 153 3S 0.01024 0.01677 -0.17476 0.29019 0.06790 154 3PX 0.00500 0.00992 0.00264 -0.00960 0.20587 155 3PY 0.00383 0.00568 -0.00069 0.00270 0.01693 156 3PZ -0.00141 -0.00477 0.00080 -0.00518 -0.02420 157 4XX -0.00021 -0.00032 -0.01737 -0.00339 0.01241 158 4YY -0.00002 -0.00013 -0.01946 0.00025 -0.01490 159 4ZZ 0.00008 0.00016 -0.01567 -0.00756 -0.00558 160 4XY 0.00013 0.00026 0.00227 -0.00498 0.00247 161 4XZ 0.00006 0.00012 -0.00338 0.00744 0.00392 162 4YZ -0.00008 -0.00002 -0.00444 0.00916 -0.00667 163 15 H 1S -0.00069 -0.00143 -0.06010 0.11765 -0.13676 164 2S -0.00279 -0.00412 -0.01298 0.03522 -0.10695 165 16 H 1S 0.00062 0.00165 -0.06045 0.11814 -0.10107 166 2S -0.00005 0.00013 -0.01430 0.03715 -0.07919 167 17 C 1S 0.00142 0.00273 -0.00177 0.00351 0.00302 168 2S -0.00267 -0.00509 0.00340 -0.00703 -0.00504 169 2PX -0.00741 -0.01881 -0.00511 0.01210 -0.03683 170 2PY 0.00330 0.00477 -0.00337 0.00488 0.00013 171 2PZ 0.00870 0.02024 -0.00209 0.00530 0.04290 172 3S -0.01051 -0.01449 0.01087 -0.02175 -0.06937 173 3PX -0.00969 -0.01757 -0.00472 0.00960 -0.02875 174 3PY 0.00367 0.00318 -0.00151 0.00252 0.01730 175 3PZ 0.00971 0.01773 -0.00198 0.00394 0.04347 176 4XX 0.00050 0.00069 -0.00034 0.00052 0.00032 177 4YY 0.00014 0.00026 0.00021 -0.00047 -0.00046 178 4ZZ -0.00010 -0.00019 -0.00013 0.00009 0.00054 179 4XY -0.00067 -0.00066 0.00017 -0.00045 -0.00108 180 4XZ -0.00004 0.00018 -0.00004 -0.00001 0.00049 181 4YZ -0.00044 -0.00109 0.00020 -0.00041 -0.00192 182 18 H 1S -0.00123 -0.00149 -0.00124 0.00264 -0.00061 183 2S -0.00357 -0.00381 -0.00039 0.00092 -0.00544 184 19 H 1S 0.00323 0.00566 0.00156 -0.00470 0.00542 185 2S 0.00563 0.00882 -0.00429 0.00668 0.01374 151 152 153 154 155 151 2PY 0.39669 152 2PZ 0.02755 0.37299 153 3S -0.01107 0.04091 0.31414 154 3PX 0.01718 -0.02315 0.03042 0.11746 155 3PY 0.17648 -0.03146 -0.00338 0.02595 0.08827 156 3PZ -0.03539 0.21378 0.01980 -0.03748 -0.04459 157 4XX 0.00551 -0.00214 -0.00114 0.00682 0.00366 158 4YY 0.00715 -0.00252 -0.00163 -0.00692 0.00232 159 4ZZ -0.01036 -0.00006 -0.00617 -0.00332 -0.00495 160 4XY -0.01251 -0.01109 -0.00416 0.00180 -0.00390 161 4XZ -0.01124 0.00304 0.00791 0.00052 -0.00488 162 4YZ -0.00102 -0.01246 0.00636 -0.00241 0.00072 163 15 H 1S 0.22141 0.04733 0.08435 -0.06293 0.08492 164 2S 0.18405 0.03943 0.00845 -0.04648 0.06900 165 16 H 1S -0.16768 -0.17654 0.08130 -0.04978 -0.06064 166 2S -0.14347 -0.14386 0.01167 -0.03722 -0.05113 167 17 C 1S 0.00494 0.00233 0.00944 0.00070 0.00491 168 2S -0.01302 -0.00304 -0.01848 -0.00173 -0.01138 169 2PX -0.01418 0.06175 0.00658 -0.05324 -0.01824 170 2PY -0.01710 0.03032 0.07185 0.01538 -0.00913 171 2PZ 0.05388 -0.06014 0.01632 0.03938 0.03898 172 3S -0.00210 -0.03879 -0.06097 -0.03684 -0.00578 173 3PX -0.01954 0.05200 0.00935 -0.03537 -0.01895 174 3PY -0.03829 0.03630 0.03969 0.01075 -0.02008 175 3PZ 0.03310 -0.04960 0.00985 0.03813 0.02550 176 4XX -0.00068 0.00198 0.00311 0.00088 -0.00060 177 4YY -0.00019 -0.00125 -0.00203 -0.00040 0.00007 178 4ZZ 0.00082 -0.00060 0.00135 0.00038 0.00067 179 4XY 0.00168 -0.00120 -0.00159 -0.00094 0.00132 180 4XZ 0.00049 -0.00022 0.00137 0.00122 0.00021 181 4YZ 0.00058 -0.00001 -0.00197 -0.00243 0.00026 182 18 H 1S 0.00926 0.00077 0.01807 -0.00063 0.00486 183 2S 0.01864 -0.00594 0.00958 -0.00395 0.01176 184 19 H 1S -0.01353 0.00110 0.01491 0.02038 -0.00848 185 2S 0.00587 0.00688 0.02945 0.02330 0.00050 156 157 158 159 160 156 3PZ 0.13667 157 4XX -0.00348 0.00080 158 4YY -0.00089 -0.00017 0.00091 159 4ZZ 0.00216 -0.00017 0.00011 0.00082 160 4XY -0.00462 -0.00003 -0.00039 0.00054 0.00113 161 4XZ 0.00281 -0.00014 -0.00039 0.00020 0.00030 162 4YZ -0.00641 -0.00020 0.00026 -0.00004 0.00033 163 15 H 1S 0.01097 -0.00205 0.00915 -0.00672 -0.01160 164 2S 0.00761 -0.00089 0.00760 -0.00500 -0.00992 165 16 H 1S -0.07092 -0.00534 0.00177 0.00362 0.00828 166 2S -0.05533 -0.00404 0.00051 0.00490 0.00898 167 17 C 1S 0.00137 0.00015 -0.00038 0.00002 0.00016 168 2S -0.00146 -0.00043 0.00061 -0.00019 -0.00043 169 2PX 0.03960 -0.00028 0.00038 -0.00057 -0.00095 170 2PY 0.03787 0.00009 -0.00124 0.00074 0.00190 171 2PZ -0.05822 0.00155 -0.00114 0.00013 -0.00053 172 3S -0.02025 -0.00132 0.00369 0.00001 -0.00150 173 3PX 0.03785 -0.00058 0.00052 -0.00042 -0.00095 174 3PY 0.03374 -0.00022 -0.00194 0.00103 0.00188 175 3PZ -0.04508 0.00133 -0.00096 -0.00031 -0.00027 176 4XX 0.00191 -0.00002 0.00000 -0.00004 -0.00004 177 4YY -0.00110 -0.00004 -0.00001 0.00010 0.00007 178 4ZZ -0.00022 0.00009 -0.00006 0.00000 0.00011 179 4XY -0.00142 0.00001 -0.00006 0.00016 0.00011 180 4XZ 0.00000 0.00000 -0.00002 0.00002 0.00001 181 4YZ -0.00005 0.00006 -0.00002 0.00005 0.00018 182 18 H 1S -0.00142 0.00048 -0.00063 0.00041 0.00056 183 2S -0.00587 0.00059 -0.00066 0.00072 0.00131 184 19 H 1S 0.01121 -0.00044 0.00026 -0.00015 0.00016 185 2S 0.01006 0.00005 0.00038 -0.00118 -0.00107 161 162 163 164 165 161 4XZ 0.00069 162 4YZ 0.00014 0.00082 163 15 H 1S -0.00459 0.00319 0.21419 164 2S -0.00581 0.00029 0.15637 0.13066 165 16 H 1S 0.00568 0.01109 -0.03606 -0.05860 0.21404 166 2S 0.00414 0.00774 -0.05935 -0.06432 0.15769 167 17 C 1S 0.00024 0.00007 0.00151 -0.00454 -0.00112 168 2S -0.00045 -0.00028 -0.00456 0.00717 0.00230 169 2PX 0.00013 -0.00131 0.01039 -0.01186 -0.00818 170 2PY 0.00179 0.00011 -0.00755 -0.01819 0.00163 171 2PZ -0.00047 0.00085 0.00591 0.00228 -0.00346 172 3S -0.00238 0.00065 0.01594 0.02970 0.01883 173 3PX 0.00022 -0.00106 0.00731 -0.00417 -0.00524 174 3PY 0.00207 -0.00061 -0.02395 -0.02702 0.00089 175 3PZ -0.00046 0.00067 -0.00095 0.00274 -0.00155 176 4XX 0.00001 -0.00005 0.00017 0.00014 -0.00052 177 4YY 0.00003 0.00004 -0.00044 -0.00022 0.00069 178 4ZZ 0.00004 0.00005 -0.00015 -0.00092 0.00016 179 4XY 0.00011 0.00008 0.00015 -0.00076 0.00055 180 4XZ 0.00002 0.00001 0.00008 0.00029 -0.00012 181 4YZ 0.00007 0.00008 0.00002 -0.00118 0.00061 182 18 H 1S 0.00057 0.00018 0.00087 -0.00885 0.00005 183 2S 0.00078 0.00077 0.00347 -0.00987 0.00246 184 19 H 1S -0.00001 0.00000 -0.00477 0.00820 0.00092 185 2S -0.00058 -0.00023 0.00828 0.01561 -0.00871 166 167 168 169 170 166 2S 0.13090 167 17 C 1S -0.00033 2.05314 168 2S 0.00049 -0.06318 0.32165 169 2PX -0.01604 -0.00079 0.00344 0.38437 170 2PY 0.00935 0.00093 0.00260 -0.01890 0.41380 171 2PZ -0.00351 0.00049 -0.00263 0.03753 0.02021 172 3S 0.01175 -0.17114 0.28250 0.01014 -0.06114 173 3PX -0.01055 0.00210 -0.00383 0.19162 0.01120 174 3PY 0.00588 -0.00367 0.01391 0.00973 0.18491 175 3PZ -0.00215 -0.00081 0.00148 -0.04088 -0.00964 176 4XX -0.00052 -0.01766 -0.00340 -0.00480 0.01236 177 4YY 0.00077 -0.01875 -0.00045 -0.00082 -0.01217 178 4ZZ 0.00047 -0.01610 -0.00668 0.00435 0.00946 179 4XY 0.00124 0.00151 -0.00348 0.00680 0.00072 180 4XZ 0.00015 -0.00575 0.01196 -0.00389 0.01069 181 4YZ 0.00102 -0.00204 0.00463 0.01626 0.00031 182 18 H 1S 0.00180 -0.06069 0.11946 0.14473 0.13598 183 2S 0.00768 -0.01459 0.03818 0.12225 0.10585 184 19 H 1S 0.00402 -0.06024 0.11783 -0.19820 0.12880 185 2S -0.00913 -0.01289 0.03442 -0.16440 0.10095 171 172 173 174 175 171 2PZ 0.37326 172 3S -0.02413 0.29885 173 3PX -0.04347 0.00237 0.11060 174 3PY -0.01029 -0.02732 0.01713 0.09205 175 3PZ 0.20484 -0.01494 -0.05703 -0.01604 0.12729 176 4XX -0.00404 -0.00402 -0.00093 0.00550 -0.00199 177 4YY 0.00192 0.00177 -0.00150 -0.00526 0.00196 178 4ZZ 0.00308 -0.00642 0.00210 0.00398 0.00042 179 4XY 0.01601 -0.00322 0.00053 -0.00054 0.00731 180 4XZ 0.00514 0.00871 -0.00246 0.00476 0.00300 181 4YZ 0.00195 0.00429 0.00743 0.00096 -0.00175 182 18 H 1S 0.17442 0.08075 0.04932 0.06335 0.06742 183 2S 0.14569 0.01437 0.04057 0.04598 0.05368 184 19 H 1S -0.11990 0.08871 -0.07511 0.05903 -0.04053 185 2S -0.09942 0.01461 -0.05912 0.04372 -0.03173 176 177 178 179 180 176 4XX 0.00073 177 4YY -0.00023 0.00067 178 4ZZ 0.00041 -0.00013 0.00064 179 4XY -0.00031 0.00005 0.00035 0.00113 180 4XZ 0.00020 -0.00024 0.00001 0.00005 0.00083 181 4YZ -0.00030 -0.00004 0.00023 0.00049 0.00004 182 18 H 1S -0.00064 -0.00314 0.00401 0.00887 0.00874 183 2S -0.00077 -0.00243 0.00464 0.00915 0.00484 184 19 H 1S 0.00659 -0.00365 -0.00257 -0.00986 0.00804 185 2S 0.00617 -0.00302 -0.00152 -0.00875 0.00415 181 182 183 184 185 181 4YZ 0.00102 182 18 H 1S 0.00912 0.21448 183 2S 0.00783 0.15755 0.13079 184 19 H 1S -0.00730 -0.03627 -0.05956 0.21453 185 2S -0.00793 -0.05913 -0.06514 0.15650 0.13075 Full Mulliken population analysis: 1 2 3 4 5 1 1 S 1S 2.15431 2 2S -0.15822 2.36010 3 2PX 0.00000 0.00000 2.06850 4 2PY 0.00000 0.00000 0.00000 2.05635 5 2PZ 0.00000 0.00000 0.00000 0.00000 2.05117 6 3S 0.00043 -0.14181 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.06613 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 -0.05382 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.05083 10 4S 0.00194 -0.06120 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.00652 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 -0.00325 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00408 14 5XX 0.00006 -0.00359 0.00000 0.00000 0.00000 15 5YY 0.00006 -0.00309 0.00000 0.00000 0.00000 16 5ZZ 0.00006 -0.00422 0.00000 0.00000 0.00000 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00000 0.00001 0.00000 -0.00020 -0.00004 22 2PX 0.00000 -0.00002 -0.00006 0.00001 0.00000 23 2PY 0.00000 -0.00061 0.00001 -0.00142 -0.00056 24 2PZ 0.00000 -0.00010 0.00000 -0.00054 0.00003 25 3S -0.00012 0.00440 0.00002 -0.00005 -0.00025 26 3PX 0.00001 -0.00027 -0.00048 0.00006 -0.00001 27 3PY 0.00015 -0.00414 0.00006 -0.00456 -0.00250 28 3PZ 0.00001 -0.00021 -0.00001 -0.00234 -0.00016 29 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 30 4YY 0.00001 -0.00053 0.00000 -0.00037 -0.00025 31 4ZZ 0.00000 -0.00002 0.00000 -0.00005 0.00000 32 4XY 0.00000 -0.00001 -0.00009 0.00000 0.00000 33 4XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 34 4YZ 0.00000 -0.00019 0.00000 -0.00036 0.00002 35 3 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 0.00001 -0.00001 0.00000 -0.00001 37 2PX 0.00000 0.00000 -0.00005 -0.00005 -0.00005 38 2PY 0.00000 -0.00004 -0.00006 -0.00002 -0.00006 39 2PZ 0.00000 -0.00002 -0.00007 -0.00005 -0.00003 40 3S -0.00006 0.00266 -0.00070 0.00038 -0.00023 41 3PX -0.00002 0.00075 -0.00035 -0.00045 -0.00075 42 3PY 0.00004 -0.00149 -0.00085 -0.00016 -0.00099 43 3PZ 0.00001 -0.00007 -0.00131 -0.00072 -0.00019 44 4XX 0.00000 -0.00003 0.00003 -0.00002 0.00000 45 4YY 0.00000 -0.00002 -0.00001 0.00000 -0.00001 46 4ZZ 0.00000 -0.00002 -0.00001 -0.00002 0.00000 47 4XY 0.00000 -0.00003 -0.00001 -0.00001 -0.00003 48 4XZ 0.00000 -0.00003 -0.00001 -0.00003 -0.00001 49 4YZ 0.00000 -0.00004 -0.00006 -0.00001 -0.00002 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 -0.00002 0.00000 0.00001 0.00000 56 3PX 0.00000 0.00003 0.00003 -0.00001 0.00002 57 3PY 0.00000 -0.00004 -0.00001 0.00001 -0.00001 58 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00000 0.00004 0.00008 -0.00001 -0.00001 71 3PX 0.00000 -0.00001 0.00016 0.00003 0.00000 72 3PY 0.00000 0.00010 0.00006 0.00000 0.00000 73 3PZ 0.00000 0.00006 -0.00001 0.00001 0.00001 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00000 -0.00001 0.00002 0.00000 0.00000 86 3PX 0.00000 -0.00005 0.00003 0.00000 0.00000 87 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S 0.00000 0.00004 0.00007 0.00001 0.00002 101 3PX -0.00001 0.00014 0.00024 0.00005 0.00008 102 3PY 0.00000 0.00005 0.00005 0.00000 0.00001 103 3PZ 0.00000 0.00007 -0.00002 -0.00001 0.00000 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00002 -0.00002 0.00000 -0.00003 112 2PX 0.00000 -0.00004 -0.00013 -0.00001 -0.00021 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 -0.00010 -0.00023 -0.00001 -0.00023 115 3S 0.00001 0.00002 -0.00115 -0.00005 -0.00071 116 3PX -0.00003 0.00084 -0.00019 -0.00004 -0.00085 117 3PY 0.00000 -0.00008 -0.00006 -0.00013 -0.00004 118 3PZ 0.00002 -0.00011 -0.00181 -0.00008 -0.00075 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 -0.00002 -0.00001 0.00000 -0.00002 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00000 0.00013 0.00005 0.00000 0.00004 131 3PX 0.00000 0.00017 0.00000 0.00001 0.00008 132 3PY 0.00000 0.00005 0.00004 0.00000 0.00003 133 3PZ -0.00001 0.00024 0.00010 -0.00004 0.00005 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00017 0.00000 0.00001 0.00015 146 13 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 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 1.34166 7 3PX 0.00000 0.72448 8 3PY 0.00000 0.00000 0.61524 9 3PZ 0.00000 0.00000 0.00000 0.59005 10 4S 0.37830 0.00000 0.00000 0.00000 0.45679 11 4PX 0.00000 0.13580 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.05970 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.07326 0.00000 14 5XX -0.01668 0.00000 0.00000 0.00000 0.00153 15 5YY -0.01888 0.00000 0.00000 0.00000 -0.02579 16 5ZZ -0.01147 0.00000 0.00000 0.00000 0.00581 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 O 1S 0.00040 0.00001 -0.00084 -0.00019 0.00112 21 2S -0.00726 -0.00014 0.01493 0.00273 -0.01927 22 2PX 0.00046 0.00746 -0.00041 0.00007 0.00091 23 2PY 0.02580 -0.00050 0.06156 0.02936 -0.01341 24 2PZ 0.00390 0.00012 0.02824 0.00123 -0.00267 25 3S -0.06804 -0.00043 -0.02585 -0.00151 -0.05402 26 3PX 0.00158 0.00977 -0.00112 0.00017 0.00312 27 3PY 0.03392 -0.00124 0.05449 0.04008 -0.04084 28 3PZ 0.00180 0.00022 0.03827 0.00734 -0.00879 29 4XX -0.00009 0.00000 -0.00042 -0.00020 0.00109 30 4YY 0.00696 -0.00010 0.00687 0.00518 -0.00170 31 4ZZ 0.00042 0.00000 0.00268 -0.00039 0.00008 32 4XY 0.00004 0.00232 0.00002 0.00002 0.00003 33 4XZ 0.00001 0.00048 0.00001 0.00000 0.00001 34 4YZ 0.00151 -0.00001 0.00371 0.00016 -0.00020 35 3 O 1S 0.00019 -0.00025 0.00002 -0.00011 0.00127 36 2S -0.00415 0.00368 0.00014 0.00142 -0.01718 37 2PX 0.00011 0.00472 0.00664 0.00744 -0.00687 38 2PY 0.00384 0.00866 0.00223 0.00852 0.00269 39 2PZ 0.00288 0.01084 0.00770 0.00183 -0.00720 40 3S -0.04194 0.01434 -0.01687 0.00214 -0.09515 41 3PX -0.00749 0.00301 0.00696 0.01243 -0.02491 42 3PY 0.01034 0.01528 0.00089 0.01868 0.00786 43 3PZ 0.00352 0.02588 0.01368 -0.00143 -0.02986 44 4XX 0.00099 -0.00119 0.00087 0.00003 0.00303 45 4YY 0.00071 0.00072 0.00002 0.00079 0.00182 46 4ZZ 0.00074 0.00133 0.00126 0.00000 -0.00067 47 4XY 0.00050 0.00014 0.00012 0.00065 -0.00010 48 4XZ 0.00050 0.00019 0.00061 0.00008 -0.00004 49 4YZ 0.00059 0.00159 0.00016 0.00017 -0.00014 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 51 2S 0.00000 -0.00002 -0.00001 -0.00001 0.00042 52 2PX -0.00005 -0.00013 0.00004 -0.00010 0.00014 53 2PY 0.00001 0.00001 -0.00003 0.00001 0.00006 54 2PZ -0.00001 -0.00004 -0.00001 0.00000 0.00026 55 3S -0.00004 -0.00119 -0.00054 -0.00013 0.00271 56 3PX -0.00131 -0.00195 0.00058 -0.00170 -0.00042 57 3PY 0.00034 -0.00029 -0.00040 0.00026 0.00015 58 3PZ -0.00008 -0.00062 0.00003 0.00002 0.00151 59 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 66 2S 0.00005 -0.00038 0.00000 0.00000 0.00102 67 2PX 0.00005 -0.00131 -0.00019 -0.00008 0.00216 68 2PY -0.00008 -0.00043 -0.00001 -0.00003 -0.00034 69 2PZ -0.00003 0.00001 -0.00003 0.00000 -0.00011 70 3S 0.00119 -0.00083 0.00093 -0.00008 0.00365 71 3PX 0.00158 -0.00478 -0.00063 -0.00045 0.00710 72 3PY -0.00060 -0.00075 0.00011 -0.00026 -0.00024 73 3PZ -0.00052 0.00103 -0.00005 -0.00008 -0.00139 74 4XX -0.00001 0.00003 -0.00001 -0.00001 -0.00035 75 4YY 0.00000 0.00001 0.00001 0.00001 0.00005 76 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00021 77 4XY 0.00001 0.00009 0.00000 0.00000 0.00001 78 4XZ 0.00000 0.00003 0.00001 -0.00002 -0.00002 79 4YZ 0.00000 0.00001 0.00000 0.00000 -0.00001 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 81 2S -0.00001 -0.00004 0.00000 0.00000 -0.00044 82 2PX -0.00003 -0.00014 0.00000 0.00000 -0.00011 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 85 3S -0.00009 -0.00183 0.00000 0.00000 -0.00005 86 3PX 0.00006 -0.00276 0.00000 0.00014 0.00073 87 3PY 0.00000 0.00000 -0.00026 0.00000 -0.00001 88 3PZ 0.00001 -0.00002 0.00000 0.00000 -0.00005 89 4XX 0.00000 -0.00001 0.00000 0.00000 -0.00004 90 4YY 0.00000 0.00000 0.00000 0.00000 -0.00004 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 96 2S -0.00006 -0.00035 -0.00004 -0.00008 -0.00034 97 2PX -0.00027 -0.00080 -0.00007 -0.00038 -0.00010 98 2PY 0.00001 -0.00014 0.00000 -0.00004 0.00035 99 2PZ -0.00008 0.00007 0.00003 0.00000 -0.00052 100 3S 0.00111 -0.00212 -0.00091 -0.00045 0.00813 101 3PX -0.00098 -0.00774 -0.00176 -0.00211 0.00888 102 3PY 0.00017 -0.00139 0.00028 0.00030 0.00396 103 3PZ -0.00116 0.00068 0.00019 0.00042 -0.00217 104 4XX 0.00000 0.00013 0.00002 0.00003 -0.00014 105 4YY 0.00000 -0.00002 0.00000 0.00000 -0.00010 106 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00005 107 4XY 0.00000 0.00004 0.00000 0.00001 -0.00002 108 4XZ 0.00001 0.00007 0.00001 0.00000 -0.00001 109 4YZ 0.00000 0.00002 0.00000 0.00000 -0.00001 110 8 C 1S 0.00004 -0.00026 -0.00001 -0.00023 0.00126 111 2S -0.00213 0.00433 0.00015 0.00427 -0.00917 112 2PX 0.00134 0.00850 0.00057 0.01747 -0.00465 113 2PY 0.00003 0.00034 0.00011 0.00042 -0.00027 114 2PZ 0.00401 0.01962 0.00061 0.01648 -0.00324 115 3S -0.01310 0.02896 0.00189 0.01083 -0.07989 116 3PX -0.00253 0.00399 0.00090 0.02674 -0.00817 117 3PY 0.00027 0.00116 0.00103 0.00055 -0.00120 118 3PZ -0.00464 0.03652 0.00222 0.01228 -0.03892 119 4XX 0.00055 -0.00033 -0.00003 0.00092 0.00140 120 4YY -0.00021 -0.00025 0.00000 -0.00037 -0.00014 121 4ZZ 0.00027 0.00134 0.00004 0.00032 -0.00040 122 4XY 0.00001 0.00000 0.00013 0.00002 0.00001 123 4XZ 0.00102 0.00067 0.00002 0.00146 0.00019 124 4YZ 0.00001 0.00003 0.00014 0.00001 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00006 126 2S -0.00006 -0.00006 -0.00003 -0.00018 -0.00067 127 2PX -0.00025 -0.00002 -0.00003 -0.00023 -0.00073 128 2PY -0.00003 -0.00015 0.00001 -0.00012 -0.00034 129 2PZ -0.00018 -0.00010 0.00002 -0.00024 -0.00099 130 3S -0.00095 -0.00119 0.00041 -0.00056 0.00167 131 3PX -0.00395 -0.00060 -0.00035 -0.00352 -0.00337 132 3PY -0.00010 -0.00164 -0.00001 -0.00061 0.00050 133 3PZ -0.00234 -0.00167 0.00132 -0.00052 -0.00039 134 4XX 0.00001 0.00001 0.00000 0.00003 0.00005 135 4YY 0.00000 -0.00002 0.00000 -0.00002 -0.00001 136 4ZZ 0.00000 0.00002 0.00000 0.00001 0.00007 137 4XY 0.00000 0.00002 0.00000 0.00002 -0.00004 138 4XZ 0.00000 0.00001 0.00001 0.00001 -0.00002 139 4YZ 0.00000 0.00003 0.00000 0.00003 -0.00002 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 141 2S -0.00001 -0.00001 0.00001 0.00000 -0.00024 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 143 2S -0.00001 0.00068 0.00013 0.00010 -0.00162 144 12 H 1S -0.00024 -0.00009 0.00000 -0.00063 -0.00151 145 2S -0.00317 -0.00058 -0.00002 -0.00698 -0.00791 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00006 147 2S 0.00004 0.00007 -0.00002 0.00032 0.00060 148 14 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 0.00001 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 0.00000 -0.00001 0.00000 0.00000 0.00009 154 3PX 0.00001 0.00007 0.00000 0.00000 0.00001 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 3PZ 0.00000 -0.00001 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00001 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 -0.00013 169 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00001 0.00000 0.00000 -0.00008 171 2PZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 172 3S -0.00003 -0.00002 -0.00005 0.00009 0.00054 173 3PX -0.00014 -0.00080 -0.00033 -0.00028 0.00027 174 3PY -0.00001 0.00027 0.00002 0.00016 0.00013 175 3PZ -0.00004 -0.00055 -0.00016 -0.00001 0.00051 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00001 0.00002 0.00000 0.00001 0.00008 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00001 0.00000 0.00000 0.00004 11 12 13 14 15 11 4PX 0.08712 12 4PY 0.00000 0.07536 13 4PZ 0.00000 0.00000 0.05608 14 5XX 0.00000 0.00000 0.00000 0.01064 15 5YY 0.00000 0.00000 0.00000 -0.00296 0.02548 16 5ZZ 0.00000 0.00000 0.00000 0.00073 -0.00482 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 O 1S 0.00000 0.00067 0.00010 0.00000 -0.00038 21 2S 0.00006 -0.00851 -0.00133 -0.00044 0.00689 22 2PX 0.01263 -0.00073 -0.00010 0.00004 0.00012 23 2PY -0.00018 -0.00011 0.00567 -0.00105 0.00365 24 2PZ 0.00005 0.00462 0.00941 -0.00024 0.01165 25 3S 0.00005 -0.03375 -0.00516 -0.00256 0.01422 26 3PX 0.03102 -0.00180 -0.00023 -0.00003 0.00018 27 3PY -0.00046 -0.00011 0.01192 -0.00537 0.00263 28 3PZ 0.00013 0.00922 0.02976 -0.00144 0.01760 29 4XX -0.00001 0.00056 0.00009 0.00006 -0.00026 30 4YY -0.00003 0.00003 0.00174 -0.00018 -0.00035 31 4ZZ 0.00001 0.00232 -0.00084 0.00000 0.00053 32 4XY 0.00090 -0.00001 0.00000 0.00001 0.00002 33 4XZ 0.00019 -0.00001 0.00000 0.00000 0.00001 34 4YZ 0.00000 0.00006 0.00046 -0.00010 0.00132 35 3 O 1S 0.00039 0.00048 -0.00001 0.00000 -0.00001 36 2S -0.00567 -0.00516 -0.00026 -0.00004 0.00028 37 2PX -0.00035 0.00167 0.00106 -0.00054 0.00175 38 2PY -0.00028 0.00229 0.00059 0.00233 -0.00100 39 2PZ 0.00122 0.00175 0.00099 0.00085 0.00159 40 3S -0.01542 -0.02908 -0.00289 -0.00074 0.00432 41 3PX -0.00167 0.00253 0.00101 -0.00190 0.00695 42 3PY -0.00215 0.01307 0.00088 0.00736 -0.00336 43 3PZ 0.00224 0.00221 0.00413 0.00254 0.00638 44 4XX -0.00056 0.00113 0.00008 -0.00002 -0.00013 45 4YY 0.00073 -0.00023 0.00050 0.00008 -0.00010 46 4ZZ 0.00062 0.00090 -0.00025 0.00009 0.00010 47 4XY 0.00000 -0.00002 0.00004 -0.00005 0.00005 48 4XZ -0.00001 0.00005 0.00000 -0.00006 0.00013 49 4YZ 0.00005 0.00007 0.00001 0.00027 -0.00005 50 4 C 1S 0.00002 0.00004 0.00001 0.00000 0.00000 51 2S -0.00030 -0.00069 -0.00011 0.00000 0.00000 52 2PX -0.00045 0.00157 -0.00017 0.00000 0.00000 53 2PY -0.00019 -0.00066 -0.00008 0.00000 0.00000 54 2PZ -0.00020 -0.00013 0.00005 0.00000 0.00000 55 3S -0.00177 -0.00143 -0.00015 -0.00008 -0.00002 56 3PX -0.00135 0.00591 -0.00044 -0.00021 0.00045 57 3PY -0.00043 -0.00079 -0.00029 -0.00008 -0.00008 58 3PZ -0.00061 -0.00061 0.00025 0.00001 -0.00010 59 4XX 0.00002 0.00006 -0.00001 0.00000 0.00000 60 4YY -0.00003 0.00002 0.00001 0.00000 0.00000 61 4ZZ 0.00001 -0.00006 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 64 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00007 -0.00004 0.00000 0.00000 0.00000 66 2S -0.00138 0.00090 0.00004 0.00000 0.00000 67 2PX -0.00237 0.00041 -0.00026 0.00006 -0.00002 68 2PY -0.00116 0.00012 -0.00012 -0.00001 0.00000 69 2PZ -0.00015 -0.00019 -0.00021 0.00000 0.00000 70 3S -0.00063 0.00114 0.00005 0.00026 -0.00012 71 3PX -0.00151 0.00224 -0.00028 0.00019 -0.00017 72 3PY -0.00154 0.00007 -0.00024 0.00033 -0.00010 73 3PZ 0.00019 -0.00043 -0.00062 0.00009 0.00001 74 4XX -0.00003 0.00019 -0.00005 0.00000 0.00000 75 4YY 0.00007 0.00002 0.00001 0.00000 0.00000 76 4ZZ -0.00001 -0.00012 0.00001 0.00000 0.00000 77 4XY 0.00002 -0.00003 0.00000 0.00001 0.00000 78 4XZ 0.00002 0.00001 -0.00003 0.00000 0.00000 79 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00005 0.00000 0.00000 0.00000 0.00000 81 2S -0.00055 0.00000 -0.00001 0.00000 0.00000 82 2PX -0.00032 0.00000 0.00001 -0.00001 0.00000 83 2PY 0.00000 0.00041 0.00000 0.00000 0.00000 84 2PZ -0.00002 0.00000 0.00008 0.00000 0.00000 85 3S -0.00203 -0.00002 0.00002 -0.00033 0.00003 86 3PX -0.00327 0.00000 0.00012 -0.00015 0.00005 87 3PY 0.00000 0.00191 0.00000 0.00000 0.00000 88 3PZ -0.00012 0.00000 -0.00014 0.00000 0.00000 89 4XX -0.00017 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00002 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00006 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00023 0.00005 0.00002 0.00000 0.00000 96 2S -0.00278 -0.00033 -0.00037 0.00001 0.00000 97 2PX -0.00382 -0.00040 -0.00199 0.00008 0.00000 98 2PY -0.00042 0.00003 0.00003 0.00001 0.00000 99 2PZ -0.00039 0.00028 0.00036 0.00000 0.00000 100 3S -0.00059 -0.00301 -0.00008 0.00000 -0.00003 101 3PX -0.00600 -0.00207 -0.00365 0.00033 -0.00054 102 3PY 0.00065 0.00097 0.00084 -0.00010 0.00001 103 3PZ -0.00065 0.00007 0.00093 0.00005 0.00022 104 4XX 0.00024 0.00013 -0.00004 0.00000 0.00000 105 4YY -0.00018 -0.00002 -0.00002 0.00000 0.00000 106 4ZZ -0.00002 0.00000 0.00002 0.00000 0.00000 107 4XY 0.00003 0.00000 -0.00001 0.00000 0.00000 108 4XZ 0.00009 0.00001 -0.00001 0.00000 0.00000 109 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00022 -0.00003 0.00078 0.00000 0.00000 111 2S -0.00037 0.00020 -0.00693 0.00022 -0.00016 112 2PX 0.00056 0.00055 0.00065 -0.00017 -0.00036 113 2PY 0.00024 0.00080 0.00016 -0.00001 0.00000 114 2PZ 0.00645 0.00055 -0.00052 0.00157 -0.00057 115 3S 0.00421 0.00217 -0.02829 0.00195 -0.00284 116 3PX -0.00255 0.00060 -0.00371 -0.00082 -0.00330 117 3PY 0.00033 -0.00396 -0.00070 0.00017 -0.00018 118 3PZ 0.00750 0.00167 -0.00056 0.00351 -0.00216 119 4XX -0.00015 -0.00002 0.00073 -0.00001 -0.00001 120 4YY -0.00026 -0.00003 -0.00020 -0.00001 0.00001 121 4ZZ 0.00074 0.00006 -0.00002 0.00005 -0.00001 122 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 123 4XZ 0.00003 0.00001 0.00009 0.00002 -0.00002 124 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 125 9 C 1S 0.00005 0.00001 0.00003 0.00000 0.00000 126 2S -0.00029 0.00001 -0.00042 0.00000 0.00000 127 2PX 0.00004 0.00086 -0.00100 -0.00001 0.00000 128 2PY -0.00046 0.00001 0.00001 0.00000 0.00000 129 2PZ -0.00044 0.00058 -0.00045 -0.00001 0.00000 130 3S -0.00114 0.00018 0.00356 -0.00009 0.00033 131 3PX -0.00021 0.00201 -0.00243 -0.00015 0.00027 132 3PY -0.00105 -0.00024 0.00219 -0.00017 0.00029 133 3PZ -0.00135 0.00162 0.00006 -0.00021 0.00017 134 4XX 0.00007 -0.00006 0.00005 0.00000 0.00000 135 4YY -0.00008 0.00008 -0.00002 0.00000 0.00000 136 4ZZ 0.00006 -0.00006 -0.00003 0.00000 0.00000 137 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00001 0.00003 0.00000 0.00000 0.00000 139 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00001 0.00004 0.00001 0.00000 0.00000 141 2S 0.00000 0.00057 0.00004 0.00000 0.00000 142 11 H 1S 0.00026 -0.00003 0.00004 0.00000 0.00000 143 2S 0.00156 -0.00087 0.00016 0.00002 0.00000 144 12 H 1S -0.00049 0.00023 -0.00157 -0.00001 0.00000 145 2S -0.00136 0.00113 -0.00224 -0.00019 0.00027 146 13 H 1S 0.00005 -0.00009 0.00001 0.00000 0.00000 147 2S 0.00023 -0.00047 0.00012 0.00001 -0.00002 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00001 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00006 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00002 0.00000 0.00000 0.00000 0.00000 153 3S -0.00034 0.00002 0.00004 0.00000 0.00000 154 3PX 0.00048 0.00004 -0.00001 0.00000 0.00000 155 3PY -0.00005 -0.00002 0.00000 0.00000 0.00000 156 3PZ -0.00017 0.00000 -0.00004 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00001 -0.00002 0.00000 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00003 -0.00001 -0.00001 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00003 -0.00001 -0.00001 0.00000 0.00000 169 2PX -0.00044 -0.00010 -0.00015 0.00000 0.00000 170 2PY 0.00034 -0.00003 0.00011 0.00000 0.00000 171 2PZ -0.00035 -0.00003 0.00001 0.00000 0.00000 172 3S 0.00049 -0.00051 0.00040 -0.00001 0.00000 173 3PX -0.00230 -0.00081 -0.00044 0.00001 0.00005 174 3PY 0.00145 -0.00009 0.00052 -0.00003 0.00000 175 3PZ -0.00165 -0.00027 0.00021 0.00001 0.00000 176 4XX -0.00002 0.00001 -0.00001 0.00000 0.00000 177 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 179 4XY -0.00002 0.00000 -0.00001 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00002 0.00002 0.00000 0.00000 0.00000 183 2S 0.00016 0.00027 0.00005 0.00000 0.00000 184 19 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 185 2S -0.00023 -0.00006 -0.00002 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01554 17 5XY 0.00000 0.02387 18 5XZ 0.00000 0.00000 0.01511 19 5YZ 0.00000 0.00000 0.00000 0.01903 20 2 O 1S 0.00002 0.00000 0.00000 -0.00022 2.08025 21 2S -0.00047 0.00005 0.00001 0.00388 -0.04373 22 2PX -0.00003 0.00933 0.00178 0.00009 0.00000 23 2PY 0.00063 -0.00001 0.00016 0.01160 0.00000 24 2PZ 0.00053 0.00013 -0.00001 -0.00040 0.00000 25 3S -0.00221 0.00012 0.00001 0.00257 -0.04316 26 3PX -0.00011 0.01771 0.00356 0.00007 0.00000 27 3PY 0.00321 0.00005 0.00015 0.00603 0.00000 28 3PZ -0.00291 0.00013 0.00011 0.00433 0.00000 29 4XX 0.00004 0.00000 0.00000 -0.00005 -0.00038 30 4YY 0.00045 0.00000 0.00003 0.00164 -0.00049 31 4ZZ -0.00010 0.00001 0.00000 -0.00005 -0.00042 32 4XY 0.00000 0.00129 0.00032 0.00002 0.00000 33 4XZ 0.00000 0.00036 0.00000 0.00000 0.00000 34 4YZ 0.00007 0.00002 0.00000 0.00001 0.00000 35 3 O 1S 0.00000 -0.00005 -0.00003 -0.00005 0.00000 36 2S 0.00014 0.00118 0.00078 0.00134 0.00000 37 2PX -0.00016 0.00156 0.00039 0.00243 0.00000 38 2PY 0.00019 0.00118 0.00328 0.00130 0.00000 39 2PZ -0.00058 0.00349 0.00019 0.00010 0.00000 40 3S -0.00040 0.00505 0.00105 0.00375 0.00000 41 3PX -0.00143 0.00110 0.00010 0.00322 0.00000 42 3PY 0.00037 0.00073 0.00469 0.00075 0.00001 43 3PZ -0.00308 0.00608 0.00003 0.00004 0.00000 44 4XX 0.00007 -0.00022 0.00004 -0.00012 0.00000 45 4YY 0.00014 -0.00015 0.00020 -0.00003 0.00000 46 4ZZ -0.00005 0.00022 -0.00003 -0.00002 0.00000 47 4XY 0.00000 0.00006 0.00004 0.00005 0.00000 48 4XZ 0.00000 0.00009 0.00002 0.00013 0.00000 49 4YZ -0.00002 0.00025 0.00012 0.00006 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00005 -0.00012 -0.00005 -0.00002 0.00000 56 3PX -0.00018 -0.00001 -0.00009 0.00002 0.00000 57 3PY 0.00012 -0.00006 0.00002 0.00000 0.00000 58 3PZ 0.00003 -0.00004 0.00000 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 67 2PX -0.00001 -0.00005 0.00000 -0.00002 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00007 0.00003 -0.00002 -0.00001 0.00000 71 3PX -0.00018 -0.00044 -0.00005 -0.00010 0.00000 72 3PY -0.00002 0.00008 -0.00001 0.00000 0.00000 73 3PZ -0.00001 0.00009 0.00004 -0.00004 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00006 0.00000 0.00000 0.00000 0.00000 86 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 87 3PY 0.00000 -0.00006 0.00000 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX -0.00001 0.00003 0.00003 0.00001 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S -0.00006 0.00027 -0.00009 -0.00001 0.00000 101 3PX 0.00021 0.00046 -0.00008 -0.00003 0.00000 102 3PY -0.00004 -0.00009 -0.00018 -0.00002 0.00000 103 3PZ -0.00012 0.00002 0.00002 -0.00001 0.00001 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S -0.00001 0.00000 -0.00003 0.00000 0.00000 111 2S 0.00086 0.00001 0.00139 -0.00001 0.00000 112 2PX 0.00270 -0.00005 0.00186 -0.00004 0.00000 113 2PY 0.00000 0.00023 0.00007 0.00047 0.00000 114 2PZ 0.00094 -0.00002 0.00384 -0.00005 0.00000 115 3S 0.00535 -0.00030 0.00499 -0.00018 0.00000 116 3PX 0.00772 0.00001 0.00096 -0.00012 0.00000 117 3PY 0.00047 0.00110 0.00024 0.00171 0.00001 118 3PZ 0.00151 -0.00033 0.00282 -0.00005 -0.00001 119 4XX 0.00002 0.00001 0.00001 0.00001 0.00000 120 4YY -0.00001 0.00000 -0.00003 0.00000 0.00000 121 4ZZ 0.00003 0.00000 0.00005 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 123 4XZ 0.00007 0.00000 0.00017 -0.00001 0.00000 124 4YZ 0.00001 0.00003 0.00000 -0.00001 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 -0.00001 0.00001 0.00000 127 2PX 0.00001 0.00001 0.00001 0.00002 0.00000 128 2PY -0.00001 0.00000 -0.00001 0.00001 0.00000 129 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 130 3S -0.00043 -0.00001 -0.00027 -0.00016 0.00000 131 3PX -0.00008 0.00005 -0.00004 0.00007 0.00000 132 3PY -0.00054 -0.00002 -0.00028 -0.00002 0.00000 133 3PZ -0.00003 0.00009 -0.00006 -0.00006 0.00000 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S -0.00001 0.00005 0.00000 0.00001 0.00000 144 12 H 1S 0.00004 0.00000 -0.00002 0.00002 0.00000 145 2S 0.00001 -0.00007 -0.00023 0.00013 0.00000 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00001 0.00000 0.00001 -0.00001 0.00000 148 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00002 -0.00001 0.00000 0.00000 173 3PX -0.00004 0.00001 -0.00002 0.00002 0.00000 174 3PY 0.00001 0.00000 -0.00001 0.00000 0.00000 175 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2S 0.52271 22 2PX 0.00000 0.73973 23 2PY 0.00000 0.00000 0.56670 24 2PZ 0.00000 0.00000 0.00000 0.66489 25 3S 0.46752 0.00000 0.00000 0.00000 0.80457 26 3PX 0.00000 0.26787 0.00000 0.00000 0.00000 27 3PY 0.00000 0.00000 0.16089 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.23085 0.00000 29 4XX -0.00550 0.00000 0.00000 0.00000 -0.00856 30 4YY -0.00120 0.00000 0.00000 0.00000 -0.01042 31 4ZZ -0.00407 0.00000 0.00000 0.00000 -0.00782 32 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 33 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 3 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 0.00000 0.00000 0.00000 0.00010 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00018 38 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00060 39 2PZ 0.00000 0.00000 0.00000 0.00000 0.00007 40 3S 0.00013 -0.00051 -0.00018 -0.00011 0.00213 41 3PX 0.00006 -0.00010 -0.00007 -0.00009 0.00193 42 3PY -0.00012 -0.00073 -0.00167 -0.00014 -0.00583 43 3PZ 0.00003 -0.00011 0.00004 0.00012 0.00082 44 4XX 0.00000 0.00000 0.00000 0.00000 -0.00002 45 4YY 0.00000 0.00000 0.00000 0.00000 -0.00014 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 -0.00002 56 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 57 3PY 0.00000 0.00000 0.00000 0.00000 -0.00003 58 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00001 -0.00001 -0.00001 0.00000 -0.00012 71 3PX -0.00001 0.00005 0.00003 0.00000 -0.00015 72 3PY -0.00001 -0.00007 -0.00004 0.00000 0.00006 73 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00001 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 83 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00002 0.00003 0.00002 -0.00001 0.00034 86 3PX 0.00006 -0.00003 0.00003 0.00000 0.00007 87 3PY -0.00001 -0.00011 -0.00001 -0.00001 -0.00022 88 3PZ 0.00000 0.00002 0.00000 -0.00001 0.00002 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 -0.00008 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00006 100 3S 0.00000 0.00053 -0.00002 -0.00009 0.00036 101 3PX -0.00011 0.00052 -0.00005 -0.00053 -0.00059 102 3PY 0.00007 -0.00033 -0.00010 -0.00007 0.00024 103 3PZ -0.00015 0.00027 0.00000 0.00020 -0.00042 104 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 -0.00001 0.00001 112 2PX 0.00000 -0.00001 0.00000 -0.00002 -0.00005 113 2PY 0.00000 0.00000 0.00000 0.00000 -0.00015 114 2PZ 0.00000 -0.00002 0.00000 -0.00003 -0.00019 115 3S 0.00024 -0.00171 0.00075 -0.00165 0.00044 116 3PX 0.00014 -0.00017 0.00028 -0.00190 0.00006 117 3PY -0.00031 0.00090 -0.00013 0.00166 -0.00096 118 3PZ 0.00037 -0.00284 0.00072 -0.00101 0.00026 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 121 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 122 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 123 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 124 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00000 0.00000 -0.00001 0.00002 0.00003 131 3PX 0.00000 0.00000 0.00000 0.00001 0.00004 132 3PY 0.00000 0.00002 -0.00001 0.00004 0.00002 133 3PZ 0.00000 0.00000 -0.00002 0.00001 0.00014 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00005 -0.00005 0.00002 0.00005 0.00031 146 13 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 14 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 -0.00001 154 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 172 3S -0.00001 0.00009 0.00001 0.00002 0.00008 173 3PX -0.00002 0.00005 0.00004 0.00013 0.00023 174 3PY 0.00000 0.00003 0.00000 0.00000 0.00004 175 3PZ -0.00003 0.00007 0.00002 0.00001 -0.00012 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 -0.00001 -0.00004 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 3PX 0.38967 27 3PY 0.00000 0.18871 28 3PZ 0.00000 0.00000 0.32386 29 4XX 0.00000 0.00000 0.00000 0.00046 30 4YY 0.00000 0.00000 0.00000 0.00004 0.00381 31 4ZZ 0.00000 0.00000 0.00000 0.00008 -0.00027 32 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 33 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 3 O 1S 0.00001 0.00000 0.00000 0.00000 0.00000 36 2S -0.00014 -0.00009 -0.00005 0.00000 0.00000 37 2PX -0.00008 0.00001 -0.00008 0.00000 0.00000 38 2PY -0.00062 -0.00179 -0.00009 0.00000 0.00000 39 2PZ -0.00007 0.00007 0.00011 0.00000 0.00000 40 3S -0.00537 -0.00088 -0.00118 -0.00003 -0.00011 41 3PX -0.00023 0.00019 -0.00076 -0.00002 -0.00010 42 3PY -0.00480 -0.01095 -0.00078 0.00011 0.00002 43 3PZ -0.00080 0.00056 0.00178 -0.00001 -0.00001 44 4XX 0.00007 -0.00003 0.00001 0.00000 0.00000 45 4YY 0.00021 0.00001 0.00004 0.00000 0.00000 46 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00007 0.00000 0.00000 0.00000 48 4XZ 0.00000 -0.00001 0.00001 0.00000 0.00000 49 4YZ -0.00002 -0.00002 0.00002 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00004 -0.00001 0.00000 0.00000 0.00000 56 3PX 0.00006 0.00002 0.00009 0.00000 0.00000 57 3PY 0.00001 0.00005 -0.00007 0.00000 0.00000 58 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00001 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00003 0.00001 0.00000 0.00000 0.00000 68 2PY 0.00002 0.00002 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00021 -0.00012 0.00000 0.00000 0.00000 71 3PX 0.00051 0.00026 -0.00005 0.00000 0.00001 72 3PY -0.00073 -0.00025 0.00001 0.00000 -0.00001 73 3PZ 0.00008 -0.00001 0.00001 0.00000 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00001 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 83 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00053 0.00025 -0.00010 -0.00001 0.00000 86 3PX -0.00014 0.00013 0.00002 0.00000 0.00001 87 3PY -0.00097 -0.00005 -0.00008 0.00001 0.00000 88 3PZ 0.00020 -0.00003 -0.00012 0.00000 0.00000 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00027 -0.00001 0.00000 0.00000 0.00000 97 2PX -0.00017 -0.00005 0.00001 0.00000 0.00000 98 2PY -0.00003 -0.00002 -0.00002 0.00000 0.00000 99 2PZ -0.00022 0.00001 -0.00002 0.00000 0.00000 100 3S 0.00405 -0.00016 -0.00058 0.00001 -0.00001 101 3PX 0.00330 -0.00032 -0.00243 0.00005 -0.00001 102 3PY -0.00181 -0.00073 -0.00036 -0.00001 0.00001 103 3PZ 0.00153 -0.00008 0.00080 0.00001 -0.00003 104 4XX -0.00004 0.00000 -0.00003 0.00000 0.00000 105 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 107 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 108 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00001 -0.00001 0.00002 0.00000 0.00000 111 2S -0.00027 0.00008 -0.00056 0.00000 0.00000 112 2PX -0.00034 0.00027 -0.00128 0.00000 0.00000 113 2PY 0.00001 -0.00006 -0.00023 0.00000 0.00000 114 2PZ -0.00153 0.00016 -0.00171 0.00000 0.00000 115 3S -0.01173 0.00490 -0.01080 -0.00001 0.00024 116 3PX -0.00049 0.00162 -0.00910 0.00002 0.00011 117 3PY 0.00434 -0.00013 0.00759 -0.00001 -0.00011 118 3PZ -0.01427 0.00353 -0.00460 -0.00001 0.00019 119 4XX 0.00001 -0.00003 -0.00001 0.00000 0.00000 120 4YY 0.00002 0.00000 0.00004 0.00000 0.00000 121 4ZZ -0.00001 0.00002 -0.00004 0.00000 0.00000 122 4XY 0.00001 0.00000 0.00003 0.00000 0.00000 123 4XZ 0.00000 0.00000 -0.00004 0.00000 0.00000 124 4YZ 0.00003 0.00000 0.00007 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00010 -0.00019 0.00040 0.00000 0.00000 131 3PX -0.00001 0.00002 0.00024 0.00000 0.00000 132 3PY 0.00035 -0.00011 0.00063 0.00000 0.00000 133 3PZ 0.00000 -0.00018 0.00018 0.00000 -0.00001 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S -0.00008 -0.00001 -0.00001 0.00000 0.00000 144 12 H 1S 0.00001 0.00001 -0.00005 0.00000 0.00000 145 2S -0.00032 0.00009 0.00049 0.00000 0.00001 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 148 14 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 -0.00009 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00003 -0.00001 -0.00001 0.00000 0.00000 169 2PX 0.00001 0.00000 0.00003 0.00000 0.00000 170 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 171 2PZ 0.00002 0.00001 0.00002 0.00000 0.00000 172 3S 0.00102 0.00010 0.00021 0.00000 -0.00001 173 3PX 0.00076 0.00033 0.00129 0.00000 -0.00003 174 3PY 0.00018 0.00000 -0.00002 0.00000 0.00000 175 3PZ 0.00097 0.00022 0.00016 0.00001 -0.00001 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00002 0.00000 -0.00011 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00004 0.00002 0.00003 0.00000 0.00000 31 32 33 34 35 31 4ZZ 0.00170 32 4XY 0.00000 0.00249 33 4XZ 0.00000 0.00000 0.00060 34 4YZ 0.00000 0.00000 0.00000 0.00212 35 3 O 1S 0.00000 0.00000 0.00000 0.00000 2.07880 36 2S 0.00000 0.00000 0.00000 0.00000 -0.04282 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 38 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 39 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 40 3S 0.00004 -0.00010 0.00001 -0.00003 -0.04510 41 3PX 0.00001 -0.00001 0.00000 -0.00002 0.00000 42 3PY 0.00010 -0.00008 0.00002 -0.00001 0.00000 43 3PZ 0.00000 -0.00002 0.00000 0.00003 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00000 -0.00059 45 4YY 0.00000 0.00000 0.00000 0.00000 -0.00042 46 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00040 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00000 0.00000 0.00000 0.00000 -0.00005 56 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 57 3PY 0.00000 0.00000 0.00000 0.00000 -0.00006 58 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 67 2PX 0.00000 0.00000 0.00000 0.00000 -0.00038 68 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 69 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 70 3S 0.00000 0.00000 0.00000 0.00000 0.00165 71 3PX 0.00000 0.00000 0.00000 0.00000 0.00037 72 3PY 0.00000 -0.00001 0.00000 0.00000 0.00015 73 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00025 74 4XX 0.00000 0.00000 0.00000 0.00000 -0.00007 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 78 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00005 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 3S 0.00000 0.00000 0.00000 0.00000 -0.00004 86 3PX 0.00000 0.00000 0.00000 0.00000 -0.00006 87 3PY 0.00000 0.00000 0.00000 0.00000 -0.00007 88 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S -0.00002 0.00001 0.00002 0.00000 0.00000 101 3PX -0.00008 0.00000 0.00002 -0.00002 0.00001 102 3PY -0.00001 0.00003 -0.00001 0.00000 0.00000 103 3PZ 0.00001 0.00001 0.00001 0.00000 0.00000 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 3S -0.00015 -0.00010 -0.00008 -0.00007 -0.00003 116 3PX -0.00010 0.00000 0.00000 -0.00009 -0.00001 117 3PY 0.00017 0.00001 0.00006 0.00002 0.00002 118 3PZ -0.00002 -0.00015 -0.00008 0.00000 -0.00005 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S 0.00000 0.00000 0.00000 0.00000 0.00000 131 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00014 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 146 13 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 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00001 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.51063 37 2PX 0.00000 0.57093 38 2PY 0.00000 0.00000 0.73212 39 2PZ 0.00000 0.00000 0.00000 0.69557 40 3S 0.48659 0.00000 0.00000 0.00000 0.89608 41 3PX 0.00000 0.17828 0.00000 0.00000 0.00000 42 3PY 0.00000 0.00000 0.25727 0.00000 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.25178 0.00000 44 4XX 0.00134 0.00000 0.00000 0.00000 -0.00290 45 4YY -0.00447 0.00000 0.00000 0.00000 -0.00922 46 4ZZ -0.00585 0.00000 0.00000 0.00000 -0.01117 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 51 2S -0.00001 0.00000 -0.00003 -0.00005 -0.00045 52 2PX -0.00002 0.00000 -0.00002 0.00000 -0.00132 53 2PY 0.00000 -0.00001 -0.00001 -0.00005 -0.00007 54 2PZ -0.00003 -0.00002 -0.00007 -0.00014 -0.00075 55 3S 0.00093 -0.00016 -0.00028 -0.00211 0.00514 56 3PX -0.00052 -0.00016 0.00012 0.00066 -0.00439 57 3PY 0.00088 -0.00013 0.00000 -0.00095 0.00376 58 3PZ -0.00017 -0.00022 -0.00168 -0.00327 -0.00131 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00004 61 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 62 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 63 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00001 -0.00015 0.00000 -0.00003 0.00147 66 2S 0.00033 0.01007 0.00038 0.00185 -0.01233 67 2PX 0.00826 0.03669 0.00134 0.00863 0.00683 68 2PY 0.00055 0.00215 -0.00026 0.00049 0.00111 69 2PZ 0.00089 0.00737 0.00027 -0.00033 -0.00229 70 3S -0.02369 0.00834 -0.00096 0.00367 -0.08691 71 3PX -0.00465 0.00788 0.00157 0.00290 -0.02452 72 3PY -0.00183 0.00167 0.00557 0.00023 -0.00409 73 3PZ 0.00285 0.00237 0.00025 0.00392 0.00137 74 4XX 0.00203 0.00216 0.00074 0.00193 0.00460 75 4YY -0.00014 -0.00033 0.00006 -0.00006 -0.00109 76 4ZZ -0.00001 -0.00013 -0.00005 0.00007 0.00002 77 4XY 0.00015 0.00090 0.00090 0.00016 0.00012 78 4XZ 0.00117 0.00217 0.00019 0.00000 0.00154 79 4YZ 0.00004 0.00023 0.00019 0.00000 0.00005 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 81 2S -0.00001 -0.00004 -0.00002 0.00000 -0.00021 82 2PX -0.00003 -0.00012 -0.00004 -0.00001 -0.00188 83 2PY 0.00000 -0.00005 -0.00002 0.00000 0.00030 84 2PZ -0.00001 -0.00001 0.00000 0.00000 -0.00047 85 3S 0.00074 -0.00113 -0.00107 -0.00043 0.00383 86 3PX 0.00100 -0.00092 0.00016 -0.00071 0.00109 87 3PY 0.00109 -0.00137 -0.00010 -0.00003 0.00537 88 3PZ -0.00023 -0.00066 -0.00030 -0.00005 -0.00248 89 4XX 0.00000 0.00001 0.00000 0.00000 0.00007 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 91 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 92 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 97 2PX 0.00000 0.00000 0.00000 0.00000 -0.00003 98 2PY 0.00000 0.00000 0.00000 0.00000 -0.00015 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 100 3S 0.00001 0.00000 -0.00020 -0.00015 -0.00122 101 3PX -0.00011 0.00006 0.00015 -0.00046 -0.00126 102 3PY 0.00005 -0.00002 0.00008 -0.00058 -0.00096 103 3PZ 0.00003 -0.00027 -0.00027 0.00030 0.00062 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 106 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 111 2S 0.00000 0.00000 0.00000 -0.00001 0.00008 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00005 113 2PY 0.00000 0.00000 0.00000 -0.00001 0.00004 114 2PZ 0.00000 0.00000 -0.00002 -0.00006 -0.00007 115 3S 0.00051 -0.00003 -0.00040 0.00021 0.00593 116 3PX 0.00012 0.00013 -0.00011 -0.00040 0.00065 117 3PY -0.00032 0.00009 0.00011 -0.00003 -0.00154 118 3PZ 0.00069 -0.00008 -0.00091 0.00060 0.00739 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 -0.00003 127 2PX 0.00000 0.00000 0.00000 0.00000 -0.00004 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00002 129 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00025 130 3S 0.00002 -0.00006 -0.00001 -0.00018 0.00033 131 3PX -0.00003 0.00009 -0.00002 -0.00023 -0.00017 132 3PY 0.00003 0.00000 -0.00014 0.00008 0.00027 133 3PZ -0.00014 -0.00019 -0.00003 -0.00081 -0.00137 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 141 2S 0.00004 0.00002 0.00009 0.00008 0.00052 142 11 H 1S -0.00008 -0.00012 -0.00005 -0.00001 -0.00269 143 2S -0.00218 -0.00252 -0.00122 -0.00031 -0.00814 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 0.00000 0.00002 0.00008 -0.00001 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00002 148 14 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 -0.00001 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00002 0.00005 0.00002 0.00000 0.00025 154 3PX 0.00000 -0.00009 0.00000 0.00000 -0.00031 155 3PY -0.00001 0.00008 0.00001 0.00000 0.00017 156 3PZ 0.00000 -0.00001 0.00000 0.00001 -0.00005 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00004 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00002 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00004 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 3PX 0.22996 42 3PY 0.00000 0.36342 43 3PZ 0.00000 0.00000 0.36848 44 4XX 0.00000 0.00000 0.00000 0.00131 45 4YY 0.00000 0.00000 0.00000 0.00011 0.00132 46 4ZZ 0.00000 0.00000 0.00000 -0.00011 -0.00014 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4 C 1S 0.00001 0.00002 0.00008 0.00000 0.00000 51 2S -0.00005 -0.00094 -0.00216 0.00000 0.00001 52 2PX -0.00018 -0.00045 -0.00034 0.00000 0.00000 53 2PY -0.00029 -0.00004 -0.00114 0.00000 0.00000 54 2PZ -0.00014 -0.00163 -0.00315 -0.00001 0.00001 55 3S -0.00037 -0.00159 -0.01091 -0.00003 0.00009 56 3PX -0.00004 0.00036 0.00164 0.00003 -0.00002 57 3PY -0.00025 -0.00049 -0.00324 -0.00001 -0.00001 58 3PZ -0.00038 -0.00624 -0.01047 -0.00007 0.00027 59 4XX -0.00002 0.00000 0.00001 0.00000 0.00000 60 4YY 0.00007 -0.00001 -0.00002 0.00000 0.00000 61 4ZZ 0.00012 -0.00004 0.00007 0.00000 0.00000 62 4XY 0.00001 0.00000 0.00005 0.00000 0.00000 63 4XZ 0.00005 0.00007 0.00023 0.00000 0.00000 64 4YZ 0.00002 0.00000 -0.00004 0.00000 0.00000 65 5 C 1S -0.00190 -0.00002 -0.00042 -0.00014 0.00000 66 2S 0.02220 0.00051 0.00442 0.00210 -0.00014 67 2PX 0.04258 0.00053 0.01400 0.00017 -0.00040 68 2PY 0.00274 -0.00308 0.00080 0.00014 0.00003 69 2PZ 0.01065 0.00033 -0.00503 0.00139 0.00002 70 3S 0.01314 -0.00276 0.00790 0.00221 0.00003 71 3PX 0.00680 0.00232 0.00403 0.00009 -0.00019 72 3PY 0.00225 0.01367 0.00031 0.00002 -0.00001 73 3PZ 0.00380 0.00040 0.01108 0.00089 0.00022 74 4XX 0.00276 0.00111 0.00339 -0.00002 -0.00011 75 4YY -0.00174 -0.00010 -0.00038 -0.00001 0.00002 76 4ZZ -0.00026 -0.00023 -0.00072 0.00002 0.00002 77 4XY 0.00055 0.00227 0.00014 0.00001 -0.00001 78 4XZ 0.00125 0.00013 0.00069 0.00007 -0.00002 79 4YZ 0.00020 0.00048 0.00011 -0.00002 0.00000 80 6 C 1S 0.00006 0.00003 0.00000 0.00000 0.00000 81 2S -0.00184 -0.00090 0.00008 0.00001 0.00000 82 2PX -0.00348 -0.00109 -0.00047 0.00004 0.00000 83 2PY -0.00094 -0.00023 -0.00004 0.00002 0.00000 84 2PZ -0.00063 -0.00016 0.00000 0.00001 0.00000 85 3S -0.00548 -0.00559 -0.00219 0.00007 -0.00007 86 3PX -0.00381 0.00059 -0.00272 0.00011 0.00012 87 3PY -0.00388 0.00163 0.00011 0.00002 -0.00011 88 3PZ -0.00308 -0.00121 -0.00022 0.00008 0.00000 89 4XX 0.00039 0.00007 0.00012 0.00000 0.00000 90 4YY -0.00018 -0.00004 -0.00001 0.00000 0.00000 91 4ZZ -0.00003 -0.00001 0.00000 0.00000 0.00000 92 4XY 0.00003 -0.00001 0.00001 0.00000 0.00000 93 4XZ 0.00010 0.00005 0.00000 0.00000 0.00000 94 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00006 -0.00001 -0.00009 0.00000 0.00000 97 2PX -0.00001 -0.00013 -0.00009 0.00000 0.00000 98 2PY -0.00009 0.00000 -0.00019 0.00000 0.00000 99 2PZ -0.00010 -0.00008 0.00003 0.00000 0.00000 100 3S 0.00020 -0.00126 -0.00142 0.00004 0.00003 101 3PX 0.00025 0.00059 -0.00263 0.00004 0.00003 102 3PY -0.00016 0.00030 -0.00348 0.00009 0.00005 103 3PZ -0.00125 -0.00141 0.00139 -0.00001 -0.00003 104 4XX 0.00000 0.00001 -0.00001 0.00000 0.00000 105 4YY -0.00001 -0.00002 0.00001 0.00000 0.00000 106 4ZZ -0.00001 0.00001 0.00001 0.00000 0.00000 107 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 111 2S -0.00001 -0.00018 -0.00068 0.00000 0.00000 112 2PX 0.00005 -0.00005 -0.00009 0.00000 0.00000 113 2PY 0.00001 -0.00005 -0.00035 0.00000 0.00000 114 2PZ 0.00000 -0.00104 -0.00253 0.00000 0.00000 115 3S -0.00022 -0.00247 0.00308 -0.00013 -0.00007 116 3PX 0.00054 -0.00046 -0.00166 0.00000 0.00000 117 3PY 0.00038 -0.00001 -0.00027 -0.00004 0.00002 118 3PZ -0.00040 -0.00415 0.00351 -0.00034 -0.00018 119 4XX 0.00000 -0.00002 -0.00007 0.00000 0.00000 120 4YY 0.00000 0.00001 -0.00003 0.00000 0.00000 121 4ZZ 0.00000 0.00003 0.00014 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 124 4YZ 0.00000 0.00001 0.00010 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S -0.00001 -0.00001 -0.00020 0.00000 0.00000 127 2PX 0.00004 -0.00001 -0.00030 0.00000 0.00000 128 2PY 0.00001 -0.00001 0.00003 0.00000 0.00000 129 2PZ -0.00014 -0.00003 -0.00090 0.00000 0.00000 130 3S -0.00045 -0.00010 -0.00104 0.00001 0.00001 131 3PX 0.00072 -0.00008 -0.00123 0.00000 0.00000 132 3PY -0.00001 -0.00087 0.00043 0.00000 0.00000 133 3PZ -0.00107 -0.00013 -0.00407 0.00002 0.00001 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 -0.00001 -0.00006 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 139 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 140 10 H 1S 0.00002 0.00001 0.00002 0.00000 0.00000 141 2S 0.00025 0.00083 0.00083 0.00000 -0.00001 142 11 H 1S -0.00247 -0.00103 -0.00031 0.00011 0.00002 143 2S -0.00903 -0.00451 -0.00139 0.00013 0.00020 144 12 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 145 2S 0.00001 0.00034 0.00112 0.00000 0.00000 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00001 -0.00014 0.00000 0.00000 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00002 0.00000 0.00000 0.00000 0.00000 150 2PX -0.00004 -0.00001 0.00000 0.00000 0.00000 151 2PY 0.00005 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 153 3S 0.00073 0.00026 -0.00001 -0.00001 0.00000 154 3PX -0.00107 0.00003 -0.00002 -0.00001 0.00001 155 3PY 0.00093 0.00005 0.00002 -0.00001 0.00000 156 3PZ -0.00015 -0.00003 0.00013 0.00000 0.00000 157 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00005 -0.00001 0.00000 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00008 0.00002 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 -0.00006 0.00000 0.00000 173 3PX 0.00001 -0.00001 0.00009 0.00000 0.00000 174 3PY -0.00004 0.00002 -0.00009 0.00000 0.00000 175 3PZ 0.00007 0.00001 -0.00001 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4ZZ 0.00216 47 4XY 0.00000 0.00071 48 4XZ 0.00000 0.00000 0.00124 49 4YZ 0.00000 0.00000 0.00000 0.00151 50 4 C 1S 0.00000 0.00000 0.00000 0.00000 2.05364 51 2S 0.00000 0.00000 0.00001 0.00001 -0.01411 52 2PX 0.00001 0.00000 0.00000 0.00001 0.00000 53 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 54 2PZ 0.00000 0.00001 0.00005 0.00003 0.00000 55 3S -0.00024 0.00001 0.00001 0.00006 -0.03023 56 3PX 0.00012 0.00000 0.00000 0.00008 0.00000 57 3PY -0.00009 0.00000 0.00000 0.00000 0.00000 58 3PZ -0.00028 0.00002 0.00006 0.00006 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 -0.00100 60 4YY 0.00000 0.00000 0.00000 0.00000 -0.00159 61 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00125 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00001 -0.00001 -0.00006 0.00000 0.00000 66 2S 0.00018 0.00006 0.00094 0.00002 -0.00018 67 2PX 0.00100 -0.00021 0.00222 0.00003 -0.00003 68 2PY 0.00000 0.00088 0.00018 0.00011 -0.00032 69 2PZ 0.00000 0.00004 0.00007 0.00002 -0.00114 70 3S 0.00115 -0.00007 0.00041 -0.00001 -0.00077 71 3PX 0.00125 -0.00003 0.00017 0.00004 -0.00007 72 3PY 0.00002 0.00064 0.00005 0.00015 0.00015 73 3PZ -0.00035 0.00002 0.00019 -0.00002 -0.00150 74 4XX 0.00014 0.00001 0.00011 -0.00001 0.00000 75 4YY -0.00001 0.00000 -0.00003 0.00000 0.00000 76 4ZZ -0.00002 0.00001 0.00000 0.00000 -0.00009 77 4XY 0.00000 0.00000 0.00003 0.00007 0.00000 78 4XZ 0.00001 -0.00003 -0.00002 0.00000 0.00000 79 4YZ 0.00000 0.00002 0.00000 0.00000 -0.00008 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00001 0.00000 0.00000 0.00000 82 2PX 0.00000 0.00003 -0.00001 0.00000 0.00000 83 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 84 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 85 3S -0.00008 0.00001 -0.00003 -0.00004 0.00008 86 3PX -0.00013 0.00001 -0.00002 -0.00001 0.00002 87 3PY -0.00002 0.00000 -0.00004 0.00000 0.00028 88 3PZ 0.00002 0.00002 0.00001 0.00000 0.00001 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S -0.00002 -0.00002 -0.00001 -0.00002 0.00001 101 3PX -0.00007 0.00001 0.00001 -0.00002 0.00000 102 3PY -0.00009 0.00001 -0.00002 -0.00001 0.00002 103 3PZ 0.00001 -0.00001 -0.00001 0.00000 0.00000 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 3S 0.00008 0.00000 0.00000 0.00002 0.00006 116 3PX -0.00004 0.00000 0.00002 -0.00001 0.00003 117 3PY 0.00005 0.00000 0.00001 0.00002 0.00017 118 3PZ 0.00025 0.00000 0.00000 0.00007 0.00001 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 -0.00079 127 2PX 0.00000 0.00000 0.00000 0.00000 -0.00079 128 2PY 0.00000 0.00000 0.00000 0.00000 -0.00117 129 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00179 130 3S -0.00005 0.00000 -0.00002 0.00000 -0.00037 131 3PX -0.00003 0.00000 0.00000 0.00000 -0.00045 132 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00066 133 3PZ -0.00007 0.00000 -0.00003 0.00001 -0.00087 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 136 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 137 4XY 0.00000 0.00000 0.00000 0.00000 -0.00005 138 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00009 139 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00016 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00210 141 2S 0.00000 -0.00001 0.00000 0.00000 -0.00137 142 11 H 1S 0.00000 0.00007 0.00001 0.00000 0.00000 143 2S 0.00010 0.00017 0.00005 0.00002 0.00012 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00001 0.00000 0.00000 0.00000 0.00000 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00020 148 14 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 0.00000 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.33043 52 2PX 0.00000 0.35801 53 2PY 0.00000 0.00000 0.41015 54 2PZ 0.00000 0.00000 0.00000 0.40523 55 3S 0.21427 0.00000 0.00000 0.00000 0.25807 56 3PX 0.00000 0.11725 0.00000 0.00000 0.00000 57 3PY 0.00000 0.00000 0.08336 0.00000 0.00000 58 3PZ 0.00000 0.00000 0.00000 0.08901 0.00000 59 4XX -0.00912 0.00000 0.00000 0.00000 -0.00648 60 4YY 0.00182 0.00000 0.00000 0.00000 0.00333 61 4ZZ -0.00393 0.00000 0.00000 0.00000 -0.00327 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00023 -0.00001 -0.00029 -0.00109 0.00159 66 2S 0.00557 0.00033 0.00532 0.02240 -0.00451 67 2PX 0.00061 0.00289 0.00019 0.00196 0.00107 68 2PY 0.00668 0.00022 0.00005 0.02022 0.00466 69 2PZ 0.02191 0.00191 0.01679 0.04778 0.02904 70 3S 0.00933 -0.00083 0.00848 0.02212 -0.02565 71 3PX 0.00083 0.00517 0.00016 0.00074 0.00103 72 3PY 0.00082 0.00061 -0.00121 0.00974 0.00226 73 3PZ 0.01483 0.00059 0.00752 0.01082 0.01215 74 4XX -0.00042 0.00001 -0.00023 -0.00090 -0.00102 75 4YY -0.00014 -0.00002 -0.00018 -0.00007 -0.00023 76 4ZZ 0.00194 0.00009 0.00192 0.00046 0.00246 77 4XY 0.00000 0.00023 0.00000 0.00003 0.00002 78 4XZ 0.00007 0.00108 0.00006 0.00014 -0.00004 79 4YZ 0.00131 0.00004 -0.00003 0.00202 0.00088 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00008 81 2S -0.00006 -0.00005 -0.00015 -0.00007 -0.00090 82 2PX -0.00004 0.00000 -0.00012 -0.00008 -0.00076 83 2PY -0.00023 0.00002 -0.00025 -0.00023 -0.00203 84 2PZ -0.00004 0.00001 0.00002 -0.00001 -0.00093 85 3S -0.00105 0.00020 -0.00194 -0.00066 0.00040 86 3PX 0.00022 -0.00004 -0.00049 0.00068 0.00178 87 3PY -0.00370 0.00027 -0.00275 -0.00177 -0.00499 88 3PZ -0.00006 0.00017 0.00098 0.00002 -0.00086 89 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00005 90 4YY 0.00000 0.00002 0.00003 0.00001 -0.00005 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 92 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 93 4XZ 0.00000 0.00000 0.00001 0.00001 0.00002 94 4YZ 0.00001 0.00002 0.00004 0.00002 0.00011 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 96 2S 0.00000 0.00000 -0.00002 0.00000 -0.00027 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY -0.00001 -0.00001 -0.00010 0.00000 -0.00085 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 100 3S -0.00042 -0.00006 -0.00142 0.00000 -0.00250 101 3PX 0.00000 -0.00002 -0.00006 0.00001 0.00006 102 3PY -0.00074 0.00005 -0.00102 -0.00005 -0.00216 103 3PZ 0.00001 0.00000 -0.00001 -0.00021 0.00006 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 105 4YY 0.00000 0.00000 0.00000 0.00000 -0.00005 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00007 111 2S -0.00010 -0.00004 -0.00030 -0.00003 -0.00022 112 2PX -0.00005 0.00003 -0.00020 -0.00004 -0.00046 113 2PY -0.00037 -0.00033 -0.00061 -0.00008 -0.00334 114 2PZ 0.00000 -0.00002 0.00004 0.00000 -0.00067 115 3S -0.00134 -0.00123 -0.00268 0.00017 -0.00261 116 3PX -0.00024 -0.00022 -0.00115 -0.00017 -0.00134 117 3PY -0.00295 -0.00267 -0.00390 -0.00026 -0.00918 118 3PZ -0.00009 -0.00014 0.00096 -0.00031 -0.00223 119 4XX 0.00000 0.00000 0.00001 0.00000 0.00005 120 4YY 0.00002 0.00007 0.00004 0.00001 0.00009 121 4ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00003 122 4XY 0.00001 -0.00002 0.00009 0.00002 0.00010 123 4XZ 0.00000 0.00001 0.00000 0.00000 0.00001 124 4YZ 0.00001 0.00001 0.00002 0.00000 0.00004 125 9 C 1S -0.00079 -0.00074 -0.00115 -0.00186 -0.00004 126 2S 0.01413 0.00927 0.01472 0.02478 0.00922 127 2PX 0.01006 0.00462 0.01942 0.02731 0.00880 128 2PY 0.01589 0.02004 0.00103 0.01994 0.00724 129 2PZ 0.02303 0.02670 0.01616 0.01111 0.01338 130 3S 0.01170 0.00875 0.01104 0.01511 -0.00549 131 3PX 0.00508 0.02435 0.00904 0.01164 0.00745 132 3PY 0.00746 0.00874 0.00064 0.00520 0.00075 133 3PZ 0.01227 0.01305 0.00177 -0.00043 0.00582 134 4XX -0.00029 -0.00015 -0.00008 0.00010 0.00007 135 4YY -0.00033 0.00000 -0.00061 -0.00001 0.00011 136 4ZZ 0.00038 0.00083 0.00127 -0.00125 0.00002 137 4XY 0.00044 0.00003 -0.00002 0.00099 0.00016 138 4XZ 0.00077 0.00004 0.00125 0.00024 0.00026 139 4YZ 0.00147 0.00133 0.00005 0.00064 0.00050 140 10 H 1S 0.03297 0.00912 0.08713 0.00171 0.04396 141 2S 0.01428 0.00576 0.05204 0.00121 0.02912 142 11 H 1S -0.00012 -0.00007 0.00000 -0.00050 -0.00474 143 2S -0.00190 -0.00086 0.00001 -0.00665 -0.01524 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00012 145 2S 0.00012 0.00013 0.00024 0.00008 0.00101 146 13 H 1S -0.00020 -0.00010 -0.00002 -0.00060 -0.00239 147 2S -0.00277 -0.00114 -0.00009 -0.00825 -0.00645 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00004 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00014 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00002 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 153 3S 0.00005 0.00002 0.00004 0.00011 0.00073 154 3PX 0.00011 0.00005 0.00014 0.00014 0.00105 155 3PY -0.00003 -0.00015 -0.00006 -0.00005 -0.00016 156 3PZ -0.00008 -0.00008 -0.00012 -0.00003 -0.00059 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00009 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00001 0.00000 0.00000 0.00005 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00001 173 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 174 3PY 0.00000 0.00000 0.00002 0.00000 0.00012 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 3PX 0.13215 57 3PY 0.00000 0.06900 58 3PZ 0.00000 0.00000 0.07555 59 4XX 0.00000 0.00000 0.00000 0.00093 60 4YY 0.00000 0.00000 0.00000 -0.00003 0.00143 61 4ZZ 0.00000 0.00000 0.00000 0.00004 -0.00023 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 5 C 1S -0.00002 0.00069 -0.00029 0.00000 0.00001 66 2S -0.00004 0.00011 0.00999 -0.00017 -0.00021 67 2PX 0.00334 0.00006 0.00103 0.00001 -0.00001 68 2PY 0.00048 -0.00073 0.01238 -0.00015 -0.00017 69 2PZ 0.00094 0.00883 0.01171 -0.00054 -0.00018 70 3S -0.00150 -0.00214 0.00816 -0.00024 -0.00096 71 3PX 0.00544 -0.00005 0.00073 -0.00002 -0.00003 72 3PY 0.00057 -0.00317 0.00601 -0.00019 -0.00047 73 3PZ 0.00033 0.00332 0.00068 -0.00059 -0.00043 74 4XX -0.00003 -0.00008 -0.00203 0.00001 0.00000 75 4YY -0.00010 -0.00054 0.00031 0.00001 0.00001 76 4ZZ 0.00023 0.00100 0.00087 -0.00004 -0.00006 77 4XY 0.00031 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00085 -0.00004 0.00003 0.00000 -0.00002 79 4YZ 0.00001 0.00001 0.00032 -0.00002 0.00001 80 6 C 1S 0.00006 0.00017 0.00008 0.00000 0.00000 81 2S -0.00129 -0.00171 -0.00111 0.00000 0.00001 82 2PX 0.00003 -0.00110 -0.00054 0.00000 0.00002 83 2PY -0.00133 -0.00014 -0.00280 0.00001 0.00004 84 2PZ 0.00021 -0.00014 -0.00010 0.00000 -0.00001 85 3S -0.00097 -0.00089 -0.00241 0.00005 0.00015 86 3PX 0.00000 -0.00045 0.00155 -0.00001 0.00004 87 3PY -0.00215 -0.00061 -0.00489 0.00012 0.00019 88 3PZ 0.00049 0.00148 0.00025 0.00000 -0.00008 89 4XX -0.00006 -0.00015 -0.00002 0.00000 0.00000 90 4YY 0.00013 0.00013 -0.00005 0.00000 0.00000 91 4ZZ 0.00001 -0.00002 0.00007 0.00000 0.00000 92 4XY 0.00000 0.00002 0.00001 0.00000 0.00000 93 4XZ 0.00000 0.00001 0.00001 0.00000 0.00000 94 4YZ 0.00007 0.00013 0.00001 0.00000 0.00000 95 7 C 1S 0.00000 0.00004 0.00000 0.00000 0.00000 96 2S -0.00008 -0.00110 0.00002 0.00000 0.00000 97 2PX 0.00025 -0.00008 0.00000 0.00000 0.00000 98 2PY -0.00017 -0.00235 0.00004 0.00000 0.00000 99 2PZ -0.00001 0.00000 -0.00026 0.00000 0.00000 100 3S -0.00027 -0.00532 0.00004 0.00002 -0.00003 101 3PX 0.00021 -0.00010 0.00000 0.00000 0.00001 102 3PY 0.00011 -0.00180 -0.00010 0.00000 0.00010 103 3PZ -0.00001 0.00004 -0.00161 0.00000 0.00000 104 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 105 4YY 0.00001 0.00005 -0.00001 0.00000 0.00000 106 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 110 8 C 1S -0.00002 -0.00017 0.00003 0.00000 0.00000 111 2S 0.00012 -0.00042 -0.00034 0.00000 0.00003 112 2PX -0.00013 -0.00125 -0.00032 0.00000 0.00003 113 2PY -0.00209 -0.00074 -0.00080 0.00001 0.00015 114 2PZ -0.00043 -0.00042 0.00021 0.00000 -0.00001 115 3S -0.00309 0.00021 -0.00010 0.00005 0.00029 116 3PX -0.00259 -0.00410 -0.00049 -0.00001 0.00011 117 3PY -0.00638 -0.00183 -0.00132 0.00008 0.00080 118 3PZ -0.00091 0.00025 -0.00079 0.00002 -0.00009 119 4XX -0.00008 0.00012 0.00001 0.00000 0.00000 120 4YY 0.00040 -0.00001 -0.00002 0.00000 0.00000 121 4ZZ -0.00014 0.00001 0.00001 0.00000 0.00000 122 4XY 0.00002 0.00025 0.00005 0.00000 0.00000 123 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 124 4YZ 0.00004 0.00002 -0.00003 0.00000 0.00000 125 9 C 1S -0.00026 -0.00038 -0.00106 0.00001 0.00001 126 2S 0.00350 0.00729 0.01160 -0.00028 -0.00034 127 2PX 0.02318 0.00937 0.01197 -0.00014 0.00009 128 2PY 0.00874 0.00241 0.00577 0.00012 -0.00055 129 2PZ 0.01098 0.00031 -0.00079 -0.00003 0.00034 130 3S 0.00625 0.00400 0.00749 -0.00009 -0.00116 131 3PX 0.04942 0.00891 0.00927 -0.00085 0.00024 132 3PY 0.00660 0.00715 0.00035 0.00049 -0.00072 133 3PZ 0.01095 -0.00348 0.00224 0.00052 -0.00017 134 4XX -0.00085 0.00045 0.00056 -0.00001 0.00003 135 4YY 0.00050 -0.00078 -0.00009 0.00002 0.00005 136 4ZZ 0.00063 0.00018 -0.00102 0.00001 -0.00018 137 4XY 0.00017 -0.00002 0.00014 0.00000 0.00001 138 4XZ 0.00025 0.00017 -0.00001 0.00000 -0.00005 139 4YZ 0.00025 0.00007 -0.00002 -0.00002 -0.00001 140 10 H 1S 0.00428 0.04098 0.00066 -0.00061 0.00553 141 2S 0.00358 0.03483 0.00118 -0.00036 0.00486 142 11 H 1S -0.00010 -0.00012 -0.00302 0.00000 -0.00001 143 2S -0.00045 -0.00024 -0.00924 0.00010 -0.00022 144 12 H 1S 0.00009 0.00013 0.00008 0.00000 0.00000 145 2S 0.00083 0.00070 0.00064 0.00000 -0.00002 146 13 H 1S -0.00051 -0.00008 -0.00247 0.00000 -0.00001 147 2S -0.00140 -0.00002 -0.01072 0.00005 -0.00035 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00001 0.00002 0.00007 0.00000 0.00000 150 2PX 0.00002 0.00009 0.00021 0.00000 0.00000 151 2PY -0.00012 0.00001 -0.00002 0.00000 0.00000 152 2PZ -0.00011 -0.00004 -0.00007 0.00000 0.00000 153 3S 0.00013 0.00030 0.00089 0.00000 0.00000 154 3PX 0.00026 0.00060 0.00132 -0.00001 -0.00001 155 3PY -0.00099 -0.00019 -0.00041 0.00001 0.00000 156 3PZ -0.00065 -0.00038 -0.00033 0.00001 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00001 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00005 -0.00008 -0.00006 0.00000 0.00000 165 16 H 1S 0.00001 0.00000 0.00001 0.00000 0.00000 166 2S 0.00018 0.00004 0.00007 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00001 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00004 0.00020 0.00001 0.00000 0.00000 173 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00004 0.00038 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00002 -0.00008 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00002 -0.00002 0.00000 0.00000 0.00000 61 62 63 64 65 61 4ZZ 0.00137 62 4XY 0.00000 0.00061 63 4XZ 0.00000 0.00000 0.00047 64 4YZ 0.00000 0.00000 0.00000 0.00099 65 5 C 1S -0.00008 0.00000 0.00000 -0.00005 2.05286 66 2S 0.00172 0.00005 0.00006 0.00102 -0.01205 67 2PX 0.00009 0.00016 0.00059 0.00006 0.00000 68 2PY 0.00181 0.00000 0.00003 -0.00003 0.00000 69 2PZ 0.00000 0.00010 0.00000 0.00212 0.00000 70 3S 0.00226 0.00003 0.00007 0.00051 -0.04177 71 3PX 0.00002 0.00008 0.00025 0.00000 0.00000 72 3PY 0.00118 -0.00001 -0.00001 0.00004 0.00000 73 3PZ 0.00021 0.00002 0.00000 0.00023 0.00000 74 4XX -0.00001 0.00000 0.00001 -0.00002 -0.00107 75 4YY -0.00008 0.00000 0.00000 0.00000 -0.00119 76 4ZZ 0.00006 0.00000 0.00002 -0.00007 -0.00123 77 4XY -0.00002 0.00000 -0.00001 0.00000 0.00000 78 4XZ 0.00001 0.00002 -0.00006 -0.00001 0.00000 79 4YZ -0.00004 0.00000 -0.00001 0.00003 0.00000 80 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00001 -0.00021 82 2PX 0.00000 0.00000 0.00000 0.00001 -0.00035 83 2PY -0.00002 0.00002 0.00001 0.00005 -0.00097 84 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00004 85 3S -0.00015 0.00002 0.00000 0.00005 0.00112 86 3PX 0.00002 0.00000 0.00000 0.00002 0.00093 87 3PY -0.00023 0.00005 0.00000 0.00005 0.00144 88 3PZ 0.00000 0.00004 0.00000 0.00000 -0.00012 89 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YY 0.00000 0.00000 0.00000 0.00000 -0.00007 91 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 4XY 0.00000 0.00000 0.00000 0.00000 -0.00006 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 3S 0.00001 0.00000 0.00000 0.00000 0.00001 101 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 102 3PY -0.00002 0.00001 0.00000 0.00000 -0.00024 103 3PZ 0.00000 0.00000 0.00000 -0.00002 0.00004 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00001 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 113 2PY -0.00002 0.00007 0.00000 0.00002 0.00000 114 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 3S -0.00013 0.00010 -0.00001 0.00001 0.00015 116 3PX 0.00001 0.00000 0.00000 0.00002 0.00006 117 3PY -0.00034 0.00016 -0.00002 0.00002 0.00009 118 3PZ 0.00001 0.00000 -0.00001 -0.00001 0.00014 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S -0.00004 -0.00005 -0.00009 -0.00016 0.00000 126 2S 0.00032 0.00045 0.00077 0.00147 0.00000 127 2PX 0.00057 0.00002 0.00004 0.00139 0.00000 128 2PY 0.00077 -0.00002 0.00101 0.00004 0.00000 129 2PZ -0.00137 0.00120 0.00030 0.00074 0.00000 130 3S 0.00099 0.00011 0.00030 0.00052 -0.00010 131 3PX 0.00077 0.00016 0.00024 0.00025 0.00001 132 3PY 0.00017 -0.00002 0.00015 0.00001 0.00000 133 3PZ -0.00104 0.00015 -0.00002 -0.00001 -0.00021 134 4XX 0.00000 0.00000 0.00000 -0.00002 0.00000 135 4YY -0.00015 0.00001 -0.00004 0.00000 0.00000 136 4ZZ 0.00008 -0.00006 0.00003 -0.00006 0.00000 137 4XY -0.00007 0.00000 0.00000 0.00002 0.00000 138 4XZ 0.00004 0.00000 0.00000 0.00002 0.00000 139 4YZ -0.00005 0.00002 0.00002 0.00000 0.00000 140 10 H 1S -0.00121 0.00118 0.00006 0.00025 0.00000 141 2S -0.00296 0.00019 0.00002 0.00004 0.00019 142 11 H 1S 0.00007 0.00000 0.00002 0.00000 -0.00194 143 2S 0.00036 0.00000 0.00006 -0.00002 -0.00161 144 12 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 13 H 1S 0.00011 -0.00001 0.00002 -0.00001 0.00000 147 2S 0.00089 -0.00003 0.00005 -0.00007 0.00000 148 14 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 0.00012 154 3PX 0.00001 0.00000 0.00000 0.00000 0.00008 155 3PY -0.00001 0.00000 0.00000 0.00000 0.00001 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00003 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.32326 67 2PX 0.00000 0.32028 68 2PY 0.00000 0.00000 0.42277 69 2PZ 0.00000 0.00000 0.00000 0.42071 70 3S 0.25483 0.00000 0.00000 0.00000 0.39321 71 3PX 0.00000 0.06363 0.00000 0.00000 0.00000 72 3PY 0.00000 0.00000 0.09615 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.07980 0.00000 74 4XX -0.00486 0.00000 0.00000 0.00000 -0.00716 75 4YY -0.00301 0.00000 0.00000 0.00000 0.00028 76 4ZZ -0.00199 0.00000 0.00000 0.00000 -0.00165 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S -0.00017 -0.00030 -0.00105 -0.00003 -0.00058 81 2S 0.00521 0.00605 0.02132 0.00044 0.00606 82 2PX 0.00650 0.00069 0.02137 0.00009 0.01485 83 2PY 0.01939 0.02062 0.04228 0.00182 0.02825 84 2PZ 0.00079 0.00032 0.00260 0.00105 0.00129 85 3S -0.00367 0.00398 0.02429 0.00135 -0.02292 86 3PX -0.00117 0.00074 0.00285 0.00063 -0.00524 87 3PY 0.00015 0.00765 0.00733 0.00024 -0.00941 88 3PZ 0.00097 0.00035 0.00163 0.00391 0.00295 89 4XX -0.00014 -0.00017 0.00008 0.00000 -0.00048 90 4YY 0.00169 0.00133 0.00019 0.00007 0.00341 91 4ZZ -0.00021 -0.00019 -0.00066 0.00002 -0.00081 92 4XY 0.00116 0.00006 0.00183 0.00015 0.00072 93 4XZ 0.00007 0.00001 0.00018 0.00023 0.00006 94 4YZ 0.00004 0.00010 0.00004 0.00083 0.00003 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00003 96 2S -0.00006 0.00000 -0.00021 -0.00005 -0.00020 97 2PX 0.00000 0.00000 0.00001 0.00000 0.00002 98 2PY -0.00018 -0.00001 -0.00053 -0.00015 -0.00362 99 2PZ -0.00009 0.00000 -0.00029 -0.00003 -0.00067 100 3S -0.00120 -0.00002 -0.00396 -0.00179 -0.00453 101 3PX 0.00006 -0.00016 0.00012 0.00004 0.00020 102 3PY 0.00165 0.00009 0.00264 -0.00125 0.00604 103 3PZ -0.00059 0.00000 -0.00144 -0.00025 -0.00078 104 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00009 105 4YY 0.00001 0.00000 0.00007 0.00001 0.00017 106 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00001 0.00000 0.00005 0.00001 0.00009 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00015 111 2S -0.00003 -0.00002 -0.00002 -0.00006 -0.00127 112 2PX -0.00001 0.00004 -0.00003 -0.00008 -0.00056 113 2PY -0.00005 -0.00005 0.00006 -0.00013 -0.00067 114 2PZ -0.00008 -0.00007 -0.00011 0.00006 -0.00010 115 3S -0.00169 -0.00026 -0.00031 -0.00078 -0.00906 116 3PX -0.00010 0.00019 -0.00028 -0.00097 -0.00108 117 3PY -0.00086 0.00032 0.00044 -0.00099 -0.00141 118 3PZ -0.00154 -0.00035 -0.00101 0.00089 -0.00169 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00006 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00005 121 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00003 122 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 124 4YZ 0.00000 0.00000 0.00001 0.00000 0.00004 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S -0.00010 -0.00003 0.00000 -0.00041 -0.00034 127 2PX -0.00006 0.00000 0.00000 -0.00022 -0.00101 128 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00006 129 2PZ -0.00032 -0.00006 0.00001 -0.00093 -0.00071 130 3S -0.00041 -0.00078 -0.00007 -0.00428 0.00185 131 3PX -0.00039 -0.00007 -0.00003 -0.00129 -0.00313 132 3PY -0.00002 -0.00001 -0.00015 -0.00009 0.00012 133 3PZ -0.00056 -0.00094 -0.00004 -0.00312 0.00306 134 4XX 0.00000 0.00000 0.00000 0.00000 -0.00005 135 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00015 136 4ZZ 0.00004 0.00003 0.00000 0.00021 0.00048 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00001 0.00000 0.00000 0.00005 0.00002 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00012 0.00000 -0.00027 -0.00019 -0.00294 141 2S -0.00268 0.00006 -0.00470 -0.00284 -0.01166 142 11 H 1S 0.03177 0.01804 0.03306 0.05186 0.04671 143 2S 0.01545 0.00929 0.01948 0.03104 0.03312 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00002 0.00003 0.00000 0.00001 0.00023 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00006 147 2S 0.00012 0.00002 0.00002 0.00046 0.00092 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00008 149 2S -0.00006 -0.00014 -0.00010 -0.00001 -0.00168 150 2PX -0.00011 -0.00022 -0.00033 -0.00002 -0.00308 151 2PY -0.00012 -0.00014 -0.00007 -0.00001 -0.00311 152 2PZ -0.00001 0.00000 -0.00002 -0.00002 -0.00027 153 3S -0.00171 -0.00270 -0.00225 -0.00033 -0.01120 154 3PX -0.00092 -0.00107 -0.00303 -0.00019 -0.00647 155 3PY -0.00067 -0.00045 0.00010 0.00008 -0.00475 156 3PZ -0.00019 -0.00011 -0.00031 -0.00047 -0.00134 157 4XX 0.00000 0.00001 0.00002 0.00000 0.00006 158 4YY 0.00001 0.00002 0.00001 0.00000 0.00025 159 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00008 160 4XY 0.00002 0.00005 0.00005 0.00000 0.00019 161 4XZ 0.00000 0.00000 -0.00001 0.00000 -0.00004 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00011 164 2S 0.00012 0.00019 0.00024 0.00000 0.00204 165 16 H 1S -0.00001 -0.00002 -0.00001 0.00000 -0.00052 166 2S -0.00053 -0.00065 -0.00050 0.00009 -0.00324 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00002 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00012 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 172 3S 0.00004 0.00001 0.00016 0.00001 0.00078 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00009 0.00002 0.00030 0.00004 0.00160 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00003 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00003 71 72 73 74 75 71 3PX 0.05087 72 3PY 0.00000 0.08744 73 3PZ 0.00000 0.00000 0.06499 74 4XX 0.00000 0.00000 0.00000 0.00263 75 4YY 0.00000 0.00000 0.00000 -0.00022 0.00121 76 4ZZ 0.00000 0.00000 0.00000 -0.00025 -0.00007 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 6 C 1S -0.00020 -0.00109 -0.00007 0.00000 -0.00006 81 2S 0.00318 0.01186 0.00012 -0.00006 0.00144 82 2PX 0.00148 0.01536 0.00071 -0.00028 0.00172 83 2PY 0.01348 0.01066 0.00154 0.00004 -0.00001 84 2PZ 0.00020 0.00208 0.00633 -0.00002 0.00019 85 3S 0.00020 0.00885 0.00021 0.00008 0.00170 86 3PX 0.00495 0.00047 -0.00023 -0.00040 0.00090 87 3PY 0.00681 0.00004 0.00014 0.00152 -0.00041 88 3PZ -0.00013 0.00225 0.00649 -0.00014 0.00025 89 4XX -0.00017 -0.00011 0.00010 0.00002 -0.00007 90 4YY 0.00082 0.00050 0.00012 -0.00011 0.00000 91 4ZZ -0.00051 -0.00061 -0.00007 0.00000 -0.00001 92 4XY -0.00006 0.00023 0.00001 0.00000 0.00001 93 4XZ -0.00002 0.00005 0.00007 0.00000 -0.00001 94 4YZ 0.00002 0.00001 0.00026 0.00001 0.00001 95 7 C 1S 0.00000 0.00011 0.00000 0.00000 0.00000 96 2S -0.00004 -0.00141 0.00010 0.00000 0.00001 97 2PX -0.00009 -0.00001 0.00002 0.00000 0.00000 98 2PY -0.00015 -0.00372 -0.00058 0.00000 0.00003 99 2PZ -0.00004 -0.00187 0.00031 0.00000 0.00003 100 3S -0.00014 -0.00937 -0.00223 -0.00002 0.00012 101 3PX -0.00040 0.00014 0.00007 0.00000 0.00000 102 3PY 0.00002 0.00402 -0.00109 -0.00027 0.00027 103 3PZ -0.00002 -0.00340 -0.00018 -0.00002 0.00011 104 4XX 0.00000 -0.00022 -0.00001 0.00000 0.00000 105 4YY 0.00001 0.00036 0.00015 0.00000 0.00000 106 4ZZ 0.00000 0.00006 -0.00005 0.00000 0.00000 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ -0.00002 0.00001 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00017 0.00001 0.00000 0.00000 110 8 C 1S 0.00004 0.00008 0.00014 0.00000 0.00000 111 2S -0.00027 -0.00044 -0.00119 0.00000 0.00000 112 2PX 0.00007 -0.00047 -0.00098 0.00000 0.00000 113 2PY -0.00026 0.00055 -0.00064 0.00000 0.00000 114 2PZ 0.00032 -0.00003 0.00110 0.00000 -0.00001 115 3S -0.00107 -0.00098 -0.00145 0.00012 -0.00006 116 3PX -0.00055 -0.00044 -0.00166 0.00005 0.00000 117 3PY 0.00071 0.00074 -0.00010 -0.00001 0.00004 118 3PZ 0.00016 -0.00058 0.00334 0.00011 -0.00019 119 4XX 0.00002 -0.00006 -0.00011 0.00000 0.00000 120 4YY -0.00005 0.00008 -0.00006 0.00000 0.00000 121 4ZZ 0.00000 -0.00010 0.00013 0.00000 0.00000 122 4XY 0.00000 -0.00001 -0.00001 0.00000 0.00000 123 4XZ 0.00001 -0.00002 0.00003 0.00000 0.00000 124 4YZ 0.00000 0.00004 0.00001 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00013 0.00000 0.00000 126 2S -0.00011 0.00004 -0.00253 0.00000 0.00000 127 2PX -0.00003 -0.00002 -0.00110 0.00000 -0.00001 128 2PY 0.00001 -0.00043 0.00003 0.00000 0.00000 129 2PZ 0.00046 0.00020 -0.00333 -0.00001 0.00000 130 3S -0.00140 -0.00009 -0.00660 -0.00006 -0.00004 131 3PX -0.00025 -0.00007 -0.00251 0.00004 -0.00014 132 3PY 0.00002 -0.00220 -0.00005 0.00000 0.00000 133 3PZ -0.00033 0.00016 -0.00347 -0.00018 0.00003 134 4XX -0.00002 0.00000 0.00001 0.00000 0.00000 135 4YY -0.00002 0.00000 -0.00033 0.00000 0.00000 136 4ZZ 0.00011 -0.00001 0.00082 0.00000 0.00000 137 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00007 0.00000 0.00000 139 4YZ 0.00000 -0.00006 0.00000 0.00000 0.00000 140 10 H 1S 0.00005 -0.00178 -0.00170 0.00000 0.00003 141 2S 0.00020 -0.00596 -0.00477 0.00020 0.00036 142 11 H 1S 0.00986 0.01545 0.02059 -0.00098 -0.00007 143 2S 0.00672 0.01290 0.01717 -0.00124 0.00018 144 12 H 1S -0.00001 -0.00001 -0.00001 0.00000 0.00000 145 2S 0.00012 -0.00001 0.00030 0.00000 0.00000 146 13 H 1S 0.00000 0.00002 0.00019 0.00000 0.00000 147 2S 0.00007 0.00018 0.00218 0.00000 0.00000 148 14 C 1S 0.00004 0.00005 0.00000 0.00000 0.00000 149 2S -0.00058 -0.00084 0.00000 0.00001 0.00000 150 2PX -0.00084 -0.00279 0.00079 0.00001 0.00001 151 2PY 0.00086 -0.00092 -0.00013 0.00004 -0.00001 152 2PZ 0.00061 -0.00063 -0.00007 0.00001 -0.00001 153 3S -0.00353 -0.00620 0.00003 0.00019 -0.00011 154 3PX -0.00192 -0.00475 0.00141 -0.00006 0.00014 155 3PY 0.00283 -0.00038 -0.00038 0.00037 -0.00013 156 3PZ 0.00118 -0.00155 0.00018 0.00014 -0.00008 157 4XX -0.00004 0.00011 0.00003 0.00000 0.00000 158 4YY 0.00012 0.00016 -0.00003 0.00000 0.00000 159 4ZZ -0.00003 -0.00010 -0.00001 0.00000 0.00000 160 4XY 0.00016 0.00011 0.00000 0.00000 0.00000 161 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 162 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 163 15 H 1S 0.00003 0.00013 0.00000 0.00000 0.00000 164 2S 0.00076 0.00178 -0.00002 -0.00001 0.00000 165 16 H 1S -0.00064 0.00002 -0.00031 0.00000 0.00000 166 2S -0.00246 -0.00073 -0.00064 -0.00001 -0.00001 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00001 0.00007 0.00000 0.00000 0.00000 169 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 170 2PY 0.00002 0.00028 -0.00001 0.00000 0.00000 171 2PZ 0.00000 -0.00001 0.00002 0.00000 0.00000 172 3S 0.00010 0.00159 0.00009 0.00000 0.00000 173 3PX -0.00008 -0.00006 0.00003 0.00000 0.00000 174 3PY 0.00013 0.00258 -0.00004 0.00000 0.00000 175 3PZ 0.00003 -0.00031 0.00005 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00011 -0.00001 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 0.00003 0.00000 0.00000 0.00000 76 77 78 79 80 76 4ZZ 0.00147 77 4XY 0.00000 0.00174 78 4XZ 0.00000 0.00000 0.00198 79 4YZ 0.00000 0.00000 0.00000 0.00165 80 6 C 1S 0.00000 -0.00008 0.00000 -0.00001 2.05315 81 2S -0.00038 0.00144 0.00001 0.00013 -0.01443 82 2PX -0.00021 0.00004 -0.00001 0.00019 0.00000 83 2PY -0.00069 0.00201 0.00012 0.00027 0.00000 84 2PZ 0.00002 0.00016 0.00028 0.00075 0.00000 85 3S -0.00096 0.00078 0.00007 0.00004 -0.02883 86 3PX -0.00011 -0.00006 0.00000 -0.00006 0.00000 87 3PY -0.00108 0.00030 0.00006 0.00005 0.00000 88 3PZ -0.00006 0.00002 0.00024 0.00027 0.00000 89 4XX -0.00001 -0.00001 0.00000 -0.00001 -0.00122 90 4YY 0.00001 0.00001 -0.00001 0.00002 -0.00121 91 4ZZ 0.00001 -0.00003 0.00000 0.00000 -0.00109 92 4XY -0.00002 0.00003 0.00000 -0.00001 0.00000 93 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 94 4YZ 0.00000 -0.00001 0.00001 -0.00008 0.00000 95 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00001 -0.00028 97 2PX 0.00000 0.00000 0.00000 0.00000 -0.00039 98 2PY 0.00000 0.00000 0.00000 0.00005 -0.00057 99 2PZ 0.00000 0.00000 0.00000 0.00001 -0.00075 100 3S 0.00005 0.00000 0.00000 0.00013 -0.00012 101 3PX 0.00000 -0.00003 -0.00002 0.00000 -0.00037 102 3PY 0.00007 0.00000 0.00000 0.00018 0.00047 103 3PZ -0.00002 0.00000 0.00000 0.00003 -0.00025 104 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 106 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 107 4XY 0.00000 0.00000 0.00000 0.00000 -0.00004 108 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 109 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00007 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 114 2PZ 0.00001 0.00000 0.00000 0.00001 0.00000 115 3S -0.00008 0.00001 0.00001 0.00002 0.00005 116 3PX -0.00012 0.00001 0.00002 -0.00004 0.00012 117 3PY -0.00008 0.00004 -0.00005 0.00001 0.00000 118 3PZ -0.00001 0.00001 0.00002 0.00005 0.00004 119 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00003 0.00000 0.00001 0.00000 0.00000 127 2PX 0.00006 0.00000 -0.00001 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00011 0.00000 0.00008 0.00000 0.00000 130 3S 0.00028 0.00000 0.00010 0.00001 0.00001 131 3PX 0.00033 0.00000 0.00008 0.00000 0.00003 132 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 133 3PZ 0.00029 0.00000 0.00025 0.00000 0.00000 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00001 0.00000 0.00000 0.00003 0.00000 141 2S -0.00040 -0.00001 0.00002 0.00005 0.00000 142 11 H 1S 0.00077 0.00115 0.00196 0.00290 0.00000 143 2S 0.00089 0.00027 0.00041 0.00058 0.00016 144 12 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 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00001 0.00000 0.00000 0.00000 0.00000 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00001 0.00000 0.00000 -0.00082 150 2PX 0.00000 0.00003 0.00001 0.00002 -0.00291 151 2PY 0.00000 0.00002 0.00000 0.00000 -0.00015 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00083 153 3S 0.00004 0.00001 0.00000 0.00004 -0.00172 154 3PX 0.00006 0.00005 0.00004 0.00007 -0.00245 155 3PY -0.00005 0.00002 -0.00002 -0.00001 -0.00012 156 3PZ 0.00000 -0.00001 0.00006 0.00004 -0.00061 157 4XX 0.00000 0.00000 0.00000 0.00000 -0.00016 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 161 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00015 162 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00021 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00003 -0.00003 0.00000 -0.00001 0.00023 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00009 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00013 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00003 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00001 81 82 83 84 85 81 2S 0.33865 82 2PX 0.00000 0.41330 83 2PY 0.00000 0.00000 0.38949 84 2PZ 0.00000 0.00000 0.00000 0.37529 85 3S 0.20177 0.00000 0.00000 0.00000 0.25301 86 3PX 0.00000 0.02964 0.00000 0.00000 0.00000 87 3PY 0.00000 0.00000 0.07262 0.00000 0.00000 88 3PZ 0.00000 0.00000 0.00000 0.08185 0.00000 89 4XX -0.00356 0.00000 0.00000 0.00000 -0.00267 90 4YY -0.00498 0.00000 0.00000 0.00000 -0.00246 91 4ZZ -0.00706 0.00000 0.00000 0.00000 -0.00423 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S -0.00029 -0.00036 -0.00056 -0.00079 0.00015 96 2S 0.00729 0.00645 0.01023 0.01387 0.00300 97 2PX 0.00694 0.00010 0.00844 0.01589 0.01105 98 2PY 0.01033 0.00596 0.00359 0.01897 0.01041 99 2PZ 0.01348 0.01389 0.02159 0.00755 0.01695 100 3S 0.00612 0.00777 0.01289 0.02090 0.00227 101 3PX 0.00560 0.00393 0.00453 0.00448 0.00509 102 3PY -0.00224 0.01063 0.00100 0.01126 0.00046 103 3PZ 0.00582 0.00647 0.00799 -0.00023 0.00442 104 4XX -0.00016 -0.00020 -0.00006 -0.00007 -0.00052 105 4YY 0.00004 0.00015 -0.00046 0.00035 0.00034 106 4ZZ 0.00055 0.00060 0.00097 -0.00066 0.00116 107 4XY 0.00060 -0.00001 0.00013 0.00115 0.00042 108 4XZ 0.00063 -0.00004 0.00080 0.00019 0.00023 109 4YZ 0.00112 0.00110 0.00012 0.00047 0.00061 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 111 2S -0.00006 -0.00013 -0.00001 -0.00012 -0.00125 112 2PX -0.00016 -0.00028 -0.00001 -0.00036 -0.00391 113 2PY 0.00000 0.00001 -0.00001 0.00001 0.00006 114 2PZ -0.00010 -0.00023 -0.00001 -0.00010 -0.00247 115 3S -0.00080 -0.00385 -0.00006 -0.00323 -0.00640 116 3PX -0.00159 -0.00246 0.00005 -0.00417 -0.01341 117 3PY 0.00002 0.00021 -0.00061 0.00011 0.00024 118 3PZ -0.00066 -0.00308 -0.00006 -0.00037 -0.00642 119 4XX 0.00000 0.00000 0.00000 0.00003 0.00007 120 4YY 0.00000 0.00000 0.00000 0.00000 -0.00003 121 4ZZ 0.00000 0.00001 0.00000 0.00001 0.00007 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 123 4XZ 0.00002 0.00004 0.00000 0.00003 0.00008 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 126 2S 0.00000 0.00000 -0.00001 -0.00001 -0.00027 127 2PX -0.00002 -0.00001 -0.00004 -0.00001 -0.00051 128 2PY -0.00001 -0.00001 0.00000 -0.00002 -0.00007 129 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00037 130 3S -0.00031 -0.00027 -0.00028 -0.00004 -0.00226 131 3PX -0.00079 -0.00016 -0.00098 -0.00030 -0.00177 132 3PY -0.00012 -0.00023 0.00001 -0.00013 0.00024 133 3PZ -0.00001 -0.00010 0.00014 0.00027 -0.00087 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 136 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 137 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00007 141 2S 0.00009 0.00003 0.00035 -0.00002 0.00108 142 11 H 1S -0.00014 0.00000 -0.00043 -0.00011 -0.00413 143 2S -0.00262 0.00014 -0.00609 -0.00204 -0.01291 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00009 145 2S 0.00009 0.00016 0.00005 0.00018 0.00124 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00001 0.00000 148 14 C 1S -0.00085 -0.00283 -0.00017 -0.00081 0.00007 149 2S 0.01519 0.03535 0.00209 0.01039 0.00461 150 2PX 0.03864 0.03388 0.00973 0.04426 0.01849 151 2PY 0.00185 0.00970 0.00787 -0.00272 0.00070 152 2PZ 0.01052 0.04427 -0.00235 0.00228 0.00706 153 3S 0.02358 0.04474 0.00309 0.01161 0.00027 154 3PX 0.02521 0.00319 0.00544 0.02337 0.00913 155 3PY 0.00087 0.00528 0.01378 -0.00200 -0.00027 156 3PZ 0.00608 0.02398 -0.00175 0.01614 0.00508 157 4XX 0.00188 -0.00081 0.00044 0.00231 0.00155 158 4YY -0.00071 -0.00114 0.00007 -0.00033 -0.00121 159 4ZZ -0.00043 -0.00009 -0.00002 -0.00018 -0.00014 160 4XY 0.00022 0.00029 0.00132 0.00021 0.00004 161 4XZ 0.00122 0.00198 0.00024 0.00001 0.00032 162 4YZ 0.00012 0.00036 0.00037 0.00000 0.00005 163 15 H 1S -0.00023 -0.00052 -0.00019 -0.00004 -0.00180 164 2S -0.00336 -0.00557 -0.00372 -0.00008 -0.00622 165 16 H 1S -0.00025 -0.00045 -0.00002 -0.00029 -0.00250 166 2S -0.00368 -0.00431 -0.00066 -0.00410 -0.00616 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00004 168 2S -0.00005 -0.00001 -0.00016 -0.00006 -0.00092 169 2PX 0.00000 0.00000 -0.00001 -0.00001 -0.00040 170 2PY -0.00016 -0.00001 -0.00037 -0.00023 -0.00221 171 2PZ -0.00006 -0.00002 -0.00011 -0.00001 -0.00163 172 3S -0.00177 0.00053 -0.00431 -0.00031 -0.00402 173 3PX -0.00003 -0.00030 0.00029 -0.00004 -0.00050 174 3PY -0.00208 0.00077 -0.00309 -0.00168 -0.00458 175 3PZ -0.00070 -0.00009 -0.00053 0.00025 -0.00247 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 177 4YY 0.00000 0.00000 0.00001 0.00001 -0.00004 178 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00012 179 4XY 0.00000 0.00000 0.00001 0.00001 0.00006 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00001 0.00001 0.00005 0.00001 0.00013 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 183 2S 0.00009 0.00004 0.00025 0.00013 0.00168 184 19 H 1S 0.00000 0.00000 -0.00001 0.00000 -0.00060 185 2S -0.00026 0.00006 -0.00080 -0.00029 -0.00409 86 87 88 89 90 86 3PX 0.05585 87 3PY 0.00000 0.07609 88 3PZ 0.00000 0.00000 0.08392 89 4XX 0.00000 0.00000 0.00000 0.00105 90 4YY 0.00000 0.00000 0.00000 -0.00004 0.00126 91 4ZZ 0.00000 0.00000 0.00000 -0.00007 0.00003 92 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 7 C 1S 0.00055 -0.00035 0.00024 0.00000 -0.00001 96 2S -0.00352 0.00712 0.00175 -0.00012 0.00003 97 2PX 0.00302 0.00603 0.00603 -0.00020 0.00012 98 2PY 0.00824 0.00129 0.01098 -0.00008 -0.00054 99 2PZ 0.00334 0.00935 -0.00012 0.00002 0.00024 100 3S -0.00467 0.00521 0.00551 -0.00031 -0.00030 101 3PX 0.00169 0.00117 0.00495 -0.00043 -0.00051 102 3PY -0.00109 0.00031 0.00057 -0.00063 0.00030 103 3PZ 0.00085 0.00352 0.00318 0.00057 0.00053 104 4XX 0.00003 -0.00059 0.00085 0.00001 -0.00004 105 4YY -0.00050 -0.00045 0.00031 0.00002 0.00002 106 4ZZ 0.00112 0.00093 -0.00065 -0.00005 -0.00002 107 4XY 0.00003 -0.00001 0.00026 0.00000 0.00000 108 4XZ -0.00011 0.00003 0.00000 0.00000 -0.00005 109 4YZ 0.00007 -0.00006 0.00000 -0.00007 0.00000 110 8 C 1S -0.00021 0.00002 0.00000 0.00000 0.00000 111 2S 0.00139 -0.00012 -0.00018 0.00001 0.00000 112 2PX 0.00197 -0.00032 -0.00142 0.00002 -0.00001 113 2PY -0.00017 -0.00051 -0.00006 0.00000 0.00000 114 2PZ -0.00090 -0.00017 -0.00012 0.00003 0.00000 115 3S 0.00534 -0.00043 0.00033 0.00023 -0.00010 116 3PX 0.00377 -0.00041 -0.00386 0.00026 -0.00033 117 3PY -0.00013 -0.00404 0.00010 -0.00001 0.00000 118 3PZ -0.00149 -0.00034 0.00078 0.00037 -0.00007 119 4XX 0.00002 -0.00001 0.00021 0.00000 0.00000 120 4YY -0.00014 0.00000 -0.00012 0.00000 0.00000 121 4ZZ 0.00006 0.00001 0.00003 0.00000 0.00000 122 4XY 0.00001 -0.00004 0.00001 0.00000 0.00000 123 4XZ 0.00014 0.00000 0.00004 0.00000 0.00000 124 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 125 9 C 1S 0.00002 0.00001 0.00001 0.00000 0.00000 126 2S -0.00036 -0.00034 -0.00038 0.00000 0.00000 127 2PX 0.00003 -0.00024 0.00006 0.00000 0.00000 128 2PY 0.00015 -0.00002 -0.00038 0.00000 0.00000 129 2PZ -0.00073 -0.00047 -0.00017 0.00000 0.00000 130 3S -0.00181 -0.00083 -0.00116 -0.00001 0.00002 131 3PX 0.00018 -0.00124 0.00003 -0.00007 0.00000 132 3PY -0.00014 -0.00004 -0.00064 -0.00001 0.00002 133 3PZ -0.00177 -0.00056 0.00013 0.00000 0.00000 134 4XX 0.00000 0.00000 0.00002 0.00000 0.00000 135 4YY 0.00003 0.00003 -0.00003 0.00000 0.00000 136 4ZZ 0.00003 -0.00004 0.00000 0.00000 0.00000 137 4XY 0.00001 0.00001 0.00001 0.00000 0.00000 138 4XZ 0.00001 -0.00001 0.00002 0.00000 0.00000 139 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 140 10 H 1S 0.00001 0.00016 -0.00005 0.00000 0.00000 141 2S 0.00001 0.00218 -0.00030 0.00000 -0.00001 142 11 H 1S -0.00046 -0.00336 0.00028 0.00000 0.00005 143 2S -0.00087 -0.00972 -0.00067 -0.00010 0.00020 144 12 H 1S 0.00007 0.00003 0.00008 0.00000 0.00000 145 2S 0.00063 0.00041 0.00093 0.00000 0.00000 146 13 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 147 2S 0.00015 0.00009 0.00018 0.00000 0.00000 148 14 C 1S -0.00018 0.00003 -0.00012 -0.00014 0.00001 149 2S 0.00417 0.00000 0.00195 0.00156 -0.00070 150 2PX -0.00461 0.00210 0.00857 -0.00157 -0.00116 151 2PY 0.00300 0.01214 -0.00201 0.00038 0.00008 152 2PZ 0.00761 -0.00255 0.01732 0.00186 -0.00031 153 3S -0.00676 -0.00087 -0.00171 0.00231 -0.00269 154 3PX 0.00570 0.00255 0.00983 -0.00143 -0.00142 155 3PY 0.00343 0.01802 -0.00225 0.00040 -0.00016 156 3PZ 0.00955 -0.00282 0.03524 0.00166 -0.00060 157 4XX -0.00139 0.00026 0.00106 -0.00010 0.00000 158 4YY 0.00079 -0.00005 0.00009 0.00003 0.00004 159 4ZZ 0.00089 -0.00008 -0.00059 0.00001 -0.00001 160 4XY 0.00001 0.00046 -0.00001 0.00002 -0.00001 161 4XZ 0.00002 -0.00002 0.00031 0.00003 -0.00006 162 4YZ 0.00000 0.00020 0.00005 0.00000 0.00000 163 15 H 1S 0.00166 0.00019 0.00029 0.00004 0.00003 164 2S 0.00296 -0.00195 0.00102 0.00013 0.00049 165 16 H 1S 0.00267 -0.00034 0.00124 0.00002 -0.00001 166 2S 0.00387 -0.00129 -0.00038 -0.00003 -0.00010 167 17 C 1S 0.00002 -0.00002 0.00002 0.00000 0.00000 168 2S -0.00033 0.00043 -0.00032 0.00000 0.00002 169 2PX -0.00027 -0.00021 -0.00002 0.00000 0.00000 170 2PY -0.00183 0.00251 -0.00342 -0.00001 0.00006 171 2PZ -0.00050 -0.00078 -0.00027 0.00001 0.00003 172 3S -0.00148 -0.00036 -0.00307 -0.00005 0.00039 173 3PX -0.00130 0.00053 -0.00001 -0.00004 -0.00003 174 3PY -0.00228 0.00353 -0.00693 -0.00024 0.00050 175 3PZ -0.00094 -0.00141 0.00002 0.00018 0.00023 176 4XX 0.00002 -0.00016 0.00004 0.00000 0.00000 177 4YY -0.00005 0.00012 0.00000 0.00000 0.00000 178 4ZZ 0.00005 0.00007 0.00003 0.00000 0.00000 179 4XY -0.00001 0.00004 0.00004 0.00000 0.00000 180 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00018 0.00001 0.00000 0.00000 182 18 H 1S 0.00007 0.00005 0.00011 0.00000 0.00000 183 2S 0.00056 0.00107 0.00100 0.00000 -0.00001 184 19 H 1S -0.00009 -0.00101 0.00003 0.00000 0.00000 185 2S -0.00047 -0.00466 -0.00030 0.00002 -0.00004 91 92 93 94 95 91 4ZZ 0.00126 92 4XY 0.00000 0.00117 93 4XZ 0.00000 0.00000 0.00076 94 4YZ 0.00000 0.00000 0.00000 0.00077 95 7 C 1S -0.00003 -0.00004 -0.00004 -0.00007 2.05312 96 2S 0.00052 0.00062 0.00063 0.00105 -0.01405 97 2PX 0.00072 0.00000 -0.00002 0.00090 0.00000 98 2PY 0.00092 0.00010 0.00091 0.00013 0.00000 99 2PZ -0.00062 0.00119 0.00024 0.00036 0.00000 100 3S 0.00137 0.00042 0.00027 0.00059 -0.02951 101 3PX 0.00093 0.00001 -0.00005 0.00010 0.00000 102 3PY 0.00083 -0.00001 -0.00001 -0.00009 0.00000 103 3PZ -0.00088 0.00030 0.00000 0.00000 0.00000 104 4XX -0.00001 0.00000 0.00000 -0.00004 -0.00112 105 4YY -0.00008 0.00000 -0.00004 0.00000 -0.00127 106 4ZZ 0.00001 -0.00005 0.00001 -0.00003 -0.00106 107 4XY -0.00008 0.00001 0.00000 0.00002 0.00000 108 4XZ -0.00001 0.00001 0.00001 0.00001 0.00000 109 4YZ 0.00001 -0.00001 0.00002 0.00003 0.00000 110 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 0.00000 0.00001 0.00000 -0.00018 112 2PX 0.00002 0.00000 0.00004 0.00000 -0.00087 113 2PY 0.00000 0.00000 0.00000 0.00000 -0.00030 114 2PZ 0.00000 0.00000 0.00003 0.00000 -0.00024 115 3S 0.00004 0.00000 0.00012 -0.00001 -0.00024 116 3PX 0.00025 0.00000 0.00012 -0.00001 -0.00119 117 3PY 0.00001 -0.00001 0.00000 -0.00003 -0.00054 118 3PZ -0.00005 0.00001 0.00010 -0.00001 -0.00031 119 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 120 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 4XY 0.00000 0.00000 0.00000 0.00000 -0.00006 123 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 124 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 3S -0.00001 -0.00002 -0.00001 -0.00001 0.00004 131 3PX 0.00010 0.00000 0.00001 0.00004 0.00004 132 3PY -0.00006 0.00000 -0.00001 0.00001 0.00014 133 3PZ 0.00002 -0.00001 -0.00001 -0.00003 0.00003 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 142 11 H 1S 0.00001 -0.00001 0.00000 0.00005 0.00000 143 2S 0.00024 -0.00006 0.00000 0.00022 0.00000 144 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00013 146 13 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 14 C 1S 0.00001 -0.00002 -0.00013 -0.00001 0.00000 149 2S -0.00037 0.00018 0.00106 0.00013 0.00000 150 2PX -0.00009 0.00024 0.00139 0.00035 0.00000 151 2PY -0.00001 0.00160 0.00023 0.00037 0.00000 152 2PZ -0.00020 0.00015 0.00002 0.00000 0.00000 153 3S -0.00071 0.00006 0.00049 0.00010 0.00009 154 3PX 0.00095 0.00002 0.00010 0.00008 0.00012 155 3PY -0.00017 0.00067 0.00000 0.00019 0.00000 156 3PZ -0.00098 -0.00003 0.00032 0.00002 0.00003 157 4XX -0.00001 0.00003 0.00005 0.00001 0.00000 158 4YY 0.00000 -0.00001 -0.00004 0.00000 0.00000 159 4ZZ 0.00001 -0.00005 0.00000 0.00000 0.00000 160 4XY -0.00005 -0.00015 -0.00004 -0.00003 0.00000 161 4XZ 0.00000 -0.00004 0.00001 0.00000 0.00000 162 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 163 15 H 1S -0.00001 0.00009 -0.00001 0.00001 0.00000 164 2S -0.00016 0.00036 -0.00007 0.00002 0.00001 165 16 H 1S 0.00004 0.00003 0.00007 0.00001 0.00000 166 2S 0.00051 0.00012 0.00018 0.00005 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00001 -0.00082 169 2PX 0.00001 0.00000 0.00000 0.00000 -0.00014 170 2PY 0.00001 -0.00001 0.00000 0.00003 -0.00358 171 2PZ -0.00001 0.00001 0.00000 0.00000 -0.00015 172 3S -0.00004 -0.00001 -0.00002 0.00005 -0.00181 173 3PX 0.00012 0.00006 -0.00001 0.00001 -0.00013 174 3PY 0.00018 -0.00006 -0.00003 0.00007 -0.00303 175 3PZ -0.00025 0.00006 0.00000 0.00000 -0.00007 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 177 4YY 0.00000 0.00000 0.00000 0.00000 -0.00028 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 179 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00023 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 0.00000 -0.00002 0.00021 96 97 98 99 100 96 2S 0.33484 97 2PX 0.00000 0.37341 98 2PY 0.00000 0.00000 0.42811 99 2PZ 0.00000 0.00000 0.00000 0.37358 100 3S 0.19928 0.00000 0.00000 0.00000 0.24810 101 3PX 0.00000 0.06510 0.00000 0.00000 0.00000 102 3PY 0.00000 0.00000 0.02743 0.00000 0.00000 103 3PZ 0.00000 0.00000 0.00000 0.09343 0.00000 104 4XX -0.00637 0.00000 0.00000 0.00000 -0.00370 105 4YY -0.00241 0.00000 0.00000 0.00000 -0.00212 106 4ZZ -0.00759 0.00000 0.00000 0.00000 -0.00433 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S -0.00022 -0.00091 -0.00030 -0.00022 0.00091 111 2S 0.00542 0.01713 0.00563 0.00413 -0.00214 112 2PX 0.01640 0.02242 0.01559 0.01487 0.01665 113 2PY 0.00604 0.01554 0.00030 0.00434 0.00398 114 2PZ 0.00492 0.01380 0.00322 -0.00024 0.00467 115 3S 0.00447 0.02914 0.00848 0.00730 -0.03613 116 3PX 0.01278 0.00586 0.01260 0.01114 0.01180 117 3PY 0.00579 0.01224 -0.00071 0.00280 0.00499 118 3PZ 0.00357 0.01152 0.00200 0.00119 -0.00203 119 4XX 0.00081 -0.00071 0.00104 0.00091 0.00150 120 4YY -0.00014 -0.00013 -0.00022 -0.00011 -0.00056 121 4ZZ -0.00022 -0.00006 -0.00001 -0.00007 -0.00027 122 4XY 0.00103 0.00085 -0.00004 0.00073 0.00044 123 4XZ 0.00066 0.00080 0.00068 0.00002 0.00025 124 4YZ 0.00024 0.00073 -0.00001 0.00001 0.00015 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 126 2S -0.00004 -0.00002 -0.00015 -0.00005 -0.00079 127 2PX -0.00002 0.00000 0.00002 0.00000 -0.00043 128 2PY -0.00016 -0.00011 -0.00032 -0.00008 -0.00176 129 2PZ -0.00002 -0.00004 -0.00008 -0.00001 -0.00078 130 3S -0.00040 -0.00017 -0.00188 -0.00086 0.00085 131 3PX -0.00074 0.00022 0.00050 -0.00001 -0.00141 132 3PY -0.00233 -0.00011 -0.00324 -0.00166 -0.00447 133 3PZ -0.00003 -0.00039 -0.00005 0.00001 -0.00025 134 4XX 0.00000 0.00000 -0.00001 0.00000 -0.00002 135 4YY 0.00001 0.00001 0.00003 0.00001 0.00008 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 137 4XY 0.00001 0.00000 0.00003 0.00001 0.00007 138 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 139 4YZ 0.00000 0.00001 0.00001 0.00000 0.00002 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 -0.00001 0.00000 0.00005 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 143 2S 0.00010 0.00002 0.00023 0.00019 0.00145 144 12 H 1S -0.00013 -0.00030 0.00000 -0.00020 -0.00265 145 2S -0.00225 -0.00363 0.00010 -0.00328 -0.00749 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00006 147 2S 0.00006 0.00006 0.00012 0.00010 0.00068 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00006 149 2S -0.00005 -0.00012 -0.00002 -0.00009 -0.00125 150 2PX -0.00012 -0.00014 -0.00003 -0.00025 -0.00261 151 2PY -0.00001 0.00000 0.00000 -0.00001 -0.00073 152 2PZ -0.00007 -0.00024 -0.00003 -0.00006 -0.00165 153 3S -0.00181 -0.00353 0.00054 -0.00165 -0.00736 154 3PX -0.00189 -0.00104 0.00056 -0.00308 -0.00755 155 3PY -0.00013 0.00038 -0.00017 0.00003 -0.00125 156 3PZ -0.00075 -0.00245 0.00010 0.00021 -0.00193 157 4XX 0.00000 0.00000 0.00000 0.00001 -0.00010 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00001 0.00002 0.00001 0.00001 0.00021 160 4XY 0.00000 0.00001 0.00000 0.00002 0.00007 161 4XZ 0.00001 0.00002 0.00001 0.00001 0.00007 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00003 163 15 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00050 164 2S -0.00029 -0.00043 0.00007 -0.00053 -0.00334 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 166 2S 0.00009 0.00018 0.00007 0.00017 0.00176 167 17 C 1S -0.00085 -0.00016 -0.00347 -0.00015 -0.00001 168 2S 0.01535 0.00186 0.04440 0.00164 0.00431 169 2PX 0.00200 0.01239 0.01067 -0.00211 0.00033 170 2PY 0.04754 0.01009 0.07770 0.01079 0.02491 171 2PZ 0.00194 -0.00199 0.01147 0.01694 0.00127 172 3S 0.02431 0.00286 0.04980 0.00159 0.00855 173 3PX 0.00117 0.02233 0.00534 -0.00136 -0.00020 174 3PY 0.03047 0.00536 0.01440 0.00534 0.01717 175 3PZ 0.00089 -0.00121 0.00626 0.02897 0.00105 176 4XX -0.00067 0.00007 -0.00128 -0.00008 -0.00115 177 4YY 0.00307 0.00059 0.00125 0.00060 0.00246 178 4ZZ -0.00062 -0.00007 -0.00121 0.00007 -0.00090 179 4XY 0.00028 0.00165 0.00064 0.00004 0.00003 180 4XZ 0.00004 0.00005 0.00011 0.00005 0.00002 181 4YZ 0.00026 0.00004 0.00069 0.00172 0.00007 182 18 H 1S -0.00024 0.00000 -0.00058 -0.00016 -0.00244 183 2S -0.00365 -0.00043 -0.00605 -0.00251 -0.00557 184 19 H 1S -0.00024 -0.00017 -0.00057 0.00000 -0.00187 185 2S -0.00356 -0.00312 -0.00592 -0.00025 -0.00678 101 102 103 104 105 101 3PX 0.06668 102 3PY 0.00000 0.06275 103 3PZ 0.00000 0.00000 0.09798 104 4XX 0.00000 0.00000 0.00000 0.00119 105 4YY 0.00000 0.00000 0.00000 -0.00007 0.00100 106 4ZZ 0.00000 0.00000 0.00000 0.00008 -0.00004 107 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8 C 1S 0.00075 0.00097 0.00000 -0.00005 0.00000 111 2S 0.00317 -0.00326 0.00156 0.00101 -0.00014 112 2PX 0.00173 0.00390 0.00243 -0.00055 -0.00021 113 2PY 0.00298 -0.00105 0.00122 0.00108 -0.00020 114 2PZ 0.00223 -0.00158 -0.00084 0.00077 -0.00008 115 3S -0.00638 -0.02112 0.00800 0.00348 -0.00048 116 3PX -0.00065 0.00056 0.00197 -0.00034 -0.00061 117 3PY 0.00437 -0.00358 -0.00145 0.00048 -0.00052 118 3PZ 0.00047 -0.00513 0.00196 0.00105 0.00008 119 4XX -0.00082 0.00086 0.00100 0.00001 -0.00006 120 4YY 0.00066 -0.00021 -0.00037 -0.00008 0.00001 121 4ZZ 0.00009 -0.00016 -0.00033 0.00004 -0.00001 122 4XY 0.00005 0.00000 0.00012 -0.00001 0.00000 123 4XZ 0.00006 0.00006 0.00023 -0.00001 -0.00002 124 4YZ 0.00017 0.00000 0.00014 -0.00004 0.00000 125 9 C 1S 0.00002 0.00016 0.00005 0.00000 0.00000 126 2S -0.00002 -0.00134 -0.00086 0.00000 0.00001 127 2PX 0.00019 0.00049 -0.00024 0.00000 -0.00001 128 2PY 0.00012 -0.00051 -0.00100 -0.00002 0.00006 129 2PZ -0.00041 -0.00077 0.00000 0.00000 0.00002 130 3S 0.00041 -0.00061 -0.00395 -0.00011 0.00015 131 3PX 0.00162 0.00107 0.00013 0.00000 -0.00010 132 3PY 0.00129 -0.00014 -0.00528 -0.00030 0.00038 133 3PZ -0.00065 -0.00004 -0.00020 -0.00001 0.00007 134 4XX -0.00001 0.00007 -0.00001 0.00000 0.00000 135 4YY 0.00003 0.00013 -0.00002 0.00000 0.00000 136 4ZZ 0.00006 -0.00009 0.00001 0.00000 0.00000 137 4XY -0.00001 0.00004 0.00004 0.00000 0.00000 138 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 139 4YZ 0.00002 -0.00002 0.00000 0.00000 0.00000 140 10 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 141 2S 0.00000 0.00018 0.00000 0.00000 0.00000 142 11 H 1S 0.00002 0.00010 0.00010 0.00000 0.00000 143 2S 0.00023 0.00074 0.00129 0.00000 -0.00001 144 12 H 1S -0.00138 -0.00001 -0.00062 0.00003 0.00000 145 2S -0.00428 -0.00002 -0.00359 0.00013 -0.00013 146 13 H 1S 0.00004 0.00000 0.00004 0.00000 0.00000 147 2S 0.00024 0.00005 0.00084 0.00001 -0.00001 148 14 C 1S -0.00002 0.00004 0.00001 0.00000 0.00000 149 2S 0.00040 -0.00066 -0.00025 0.00001 0.00000 150 2PX 0.00207 -0.00256 -0.00220 0.00002 -0.00001 151 2PY -0.00020 -0.00014 -0.00029 0.00000 0.00000 152 2PZ 0.00000 -0.00145 -0.00025 0.00003 0.00000 153 3S 0.00044 -0.00306 -0.00238 0.00028 -0.00009 154 3PX 0.00337 -0.00376 -0.00640 0.00018 -0.00029 155 3PY 0.00027 -0.00088 -0.00044 -0.00004 -0.00003 156 3PZ -0.00158 -0.00217 0.00057 0.00037 0.00015 157 4XX 0.00000 -0.00006 0.00004 0.00000 0.00000 158 4YY -0.00013 0.00004 0.00002 0.00000 0.00000 159 4ZZ 0.00014 0.00007 0.00000 0.00000 0.00000 160 4XY 0.00002 -0.00002 0.00005 0.00000 0.00000 161 4XZ 0.00010 -0.00002 0.00001 0.00000 0.00000 162 4YZ 0.00000 -0.00003 0.00002 0.00000 0.00000 163 15 H 1S -0.00071 -0.00010 -0.00007 0.00000 0.00000 164 2S -0.00250 -0.00039 -0.00112 -0.00001 0.00002 165 16 H 1S 0.00001 0.00010 0.00009 0.00000 0.00000 166 2S 0.00046 0.00093 0.00090 -0.00001 0.00000 167 17 C 1S 0.00006 -0.00071 -0.00008 0.00001 -0.00024 168 2S -0.00041 0.01156 0.00070 -0.00063 0.00268 169 2PX 0.01815 0.00273 -0.00140 0.00007 0.00061 170 2PY 0.00116 -0.00424 0.00364 -0.00132 -0.00047 171 2PZ -0.00131 0.00127 0.02803 -0.00003 0.00050 172 3S -0.00215 -0.00733 0.00025 -0.00236 0.00335 173 3PX 0.03064 0.00252 -0.00166 -0.00017 0.00042 174 3PY 0.00114 0.00011 0.00365 -0.00169 -0.00036 175 3PZ -0.00148 0.00120 0.04731 -0.00014 0.00043 176 4XX -0.00006 0.00059 -0.00013 0.00003 -0.00001 177 4YY 0.00019 -0.00092 0.00028 -0.00005 -0.00007 178 4ZZ -0.00004 0.00039 -0.00012 0.00001 -0.00001 179 4XY 0.00058 0.00002 -0.00003 -0.00001 0.00001 180 4XZ 0.00005 -0.00001 0.00005 0.00000 -0.00001 181 4YZ -0.00003 0.00002 0.00077 -0.00003 0.00005 182 18 H 1S -0.00012 0.00360 0.00043 0.00000 0.00005 183 2S -0.00057 0.00304 -0.00063 -0.00009 0.00014 184 19 H 1S 0.00044 0.00118 0.00005 0.00002 0.00003 185 2S -0.00043 0.00166 -0.00008 0.00040 -0.00006 106 107 108 109 110 106 4ZZ 0.00113 107 4XY 0.00000 0.00121 108 4XZ 0.00000 0.00000 0.00062 109 4YZ 0.00000 0.00000 0.00000 0.00116 110 8 C 1S 0.00000 -0.00005 -0.00003 -0.00002 2.05531 111 2S -0.00013 0.00087 0.00056 0.00035 -0.01175 112 2PX -0.00040 0.00087 0.00046 0.00083 0.00000 113 2PY -0.00003 0.00000 0.00054 0.00000 0.00000 114 2PZ -0.00007 0.00076 0.00002 0.00001 0.00000 115 3S -0.00061 0.00087 0.00024 0.00019 -0.04668 116 3PX 0.00004 0.00009 0.00006 0.00026 0.00000 117 3PY -0.00007 0.00007 0.00014 -0.00007 0.00000 118 3PZ -0.00048 0.00021 0.00015 0.00003 0.00000 119 4XX -0.00001 0.00002 0.00000 -0.00004 -0.00119 120 4YY 0.00000 -0.00001 -0.00001 0.00000 -0.00125 121 4ZZ 0.00000 -0.00003 0.00000 0.00000 -0.00127 122 4XY -0.00005 0.00002 -0.00002 -0.00001 0.00000 123 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00001 -0.00024 127 2PX 0.00000 0.00000 0.00000 0.00001 -0.00010 128 2PY 0.00000 0.00001 0.00000 0.00005 -0.00129 129 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00013 130 3S 0.00001 -0.00005 0.00000 0.00006 0.00146 131 3PX 0.00003 0.00000 0.00000 0.00004 -0.00018 132 3PY 0.00003 -0.00006 0.00001 0.00017 0.00017 133 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00032 134 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YY 0.00000 0.00000 0.00000 0.00000 -0.00011 136 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 137 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00000 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00003 0.00000 0.00005 0.00000 -0.00188 145 2S 0.00038 -0.00002 0.00018 -0.00001 -0.00142 146 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00001 0.00018 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00001 0.00000 0.00000 150 2PX 0.00004 -0.00001 0.00003 0.00000 0.00000 151 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00002 0.00002 0.00002 -0.00001 0.00000 153 3S 0.00007 -0.00001 0.00010 -0.00004 0.00000 154 3PX 0.00047 -0.00007 0.00007 -0.00001 0.00000 155 3PY 0.00012 0.00003 0.00000 -0.00003 0.00000 156 3PZ -0.00033 0.00010 0.00008 -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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00001 0.00001 -0.00003 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00001 -0.00003 0.00000 -0.00003 0.00000 168 2S -0.00060 0.00025 0.00005 0.00021 0.00000 169 2PX -0.00005 0.00187 0.00005 0.00006 0.00000 170 2PY -0.00112 0.00051 0.00014 0.00046 0.00000 171 2PZ 0.00007 0.00004 0.00007 0.00185 0.00000 172 3S -0.00163 0.00008 0.00003 0.00009 0.00012 173 3PX -0.00014 0.00096 0.00005 -0.00002 0.00001 174 3PY -0.00075 0.00005 0.00003 0.00005 0.00013 175 3PZ -0.00019 -0.00003 0.00006 0.00104 -0.00001 176 4XX 0.00001 0.00000 0.00000 -0.00002 0.00000 177 4YY -0.00005 0.00003 0.00000 0.00004 0.00000 178 4ZZ 0.00003 -0.00002 0.00000 0.00000 0.00000 179 4XY -0.00002 -0.00014 0.00001 -0.00005 0.00000 180 4XZ 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YZ 0.00000 -0.00004 0.00000 -0.00009 0.00000 182 18 H 1S 0.00002 0.00002 0.00000 0.00007 0.00000 183 2S 0.00035 0.00010 0.00001 0.00026 0.00002 184 19 H 1S 0.00000 0.00008 0.00000 0.00001 0.00000 185 2S -0.00003 0.00031 0.00001 0.00006 0.00000 111 112 113 114 115 111 2S 0.30506 112 2PX 0.00000 0.38267 113 2PY 0.00000 0.00000 0.40807 114 2PZ 0.00000 0.00000 0.00000 0.38716 115 3S 0.29122 0.00000 0.00000 0.00000 0.62753 116 3PX 0.00000 0.12709 0.00000 0.00000 0.00000 117 3PY 0.00000 0.00000 0.10655 0.00000 0.00000 118 3PZ 0.00000 0.00000 0.00000 0.12731 0.00000 119 4XX -0.00381 0.00000 0.00000 0.00000 -0.00339 120 4YY -0.00217 0.00000 0.00000 0.00000 -0.00442 121 4ZZ -0.00219 0.00000 0.00000 0.00000 0.00046 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S -0.00021 -0.00008 -0.00137 -0.00013 -0.00017 126 2S 0.00593 0.00153 0.02548 0.00260 0.00290 127 2PX 0.00203 0.00194 0.00688 -0.00007 0.00162 128 2PY 0.02450 0.00633 0.06099 0.00938 0.02290 129 2PZ 0.00232 -0.00007 0.00713 -0.00006 0.00363 130 3S -0.00460 0.00269 0.02618 0.00287 -0.04914 131 3PX 0.00167 0.00103 0.00285 0.00004 -0.00029 132 3PY 0.00791 0.00358 0.01410 0.00749 -0.01507 133 3PZ -0.00009 -0.00008 0.00287 -0.00035 -0.00148 134 4XX -0.00019 0.00003 -0.00051 -0.00005 -0.00025 135 4YY 0.00219 0.00055 0.00067 0.00094 0.00239 136 4ZZ -0.00039 -0.00004 -0.00085 0.00002 -0.00124 137 4XY 0.00025 0.00065 0.00055 0.00012 0.00019 138 4XZ 0.00006 0.00004 0.00021 0.00003 0.00005 139 4YZ 0.00040 0.00014 0.00104 0.00044 0.00034 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00008 141 2S 0.00012 0.00005 0.00043 -0.00001 0.00126 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00001 -0.00001 0.00003 0.00003 0.00021 144 12 H 1S 0.03090 0.02214 0.02980 0.04679 0.03446 145 2S 0.01596 0.01209 0.01605 0.02668 0.00792 146 13 H 1S -0.00013 0.00000 -0.00031 -0.00019 -0.00224 147 2S -0.00281 -0.00002 -0.00464 -0.00289 -0.00680 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00003 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00014 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00004 153 3S 0.00004 0.00013 0.00000 0.00004 0.00101 154 3PX 0.00006 0.00018 0.00000 0.00009 0.00189 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00003 0.00007 0.00000 0.00001 0.00024 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00003 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 -0.00008 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00005 168 2S -0.00006 -0.00010 -0.00019 0.00000 -0.00072 169 2PX -0.00007 -0.00003 -0.00023 -0.00001 -0.00253 170 2PY -0.00016 -0.00029 -0.00024 -0.00002 -0.00258 171 2PZ -0.00002 -0.00001 0.00000 -0.00002 -0.00002 172 3S -0.00189 -0.00122 -0.00287 -0.00024 -0.01327 173 3PX -0.00027 0.00051 -0.00086 -0.00024 -0.00737 174 3PY -0.00181 -0.00230 -0.00095 -0.00041 -0.00900 175 3PZ -0.00009 0.00002 0.00024 -0.00083 0.00116 176 4XX 0.00001 0.00001 0.00002 0.00000 0.00023 177 4YY 0.00000 0.00001 0.00001 0.00000 -0.00007 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 179 4XY 0.00002 0.00004 0.00005 0.00001 0.00018 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 181 4YZ 0.00000 0.00001 0.00001 0.00000 0.00004 182 18 H 1S -0.00001 -0.00001 -0.00002 0.00000 -0.00046 183 2S -0.00049 -0.00044 -0.00082 0.00009 -0.00360 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00010 185 2S 0.00011 0.00020 0.00022 0.00002 0.00164 116 117 118 119 120 116 3PX 0.15173 117 3PY 0.00000 0.12653 118 3PZ 0.00000 0.00000 0.16122 119 4XX 0.00000 0.00000 0.00000 0.00107 120 4YY 0.00000 0.00000 0.00000 -0.00014 0.00124 121 4ZZ 0.00000 0.00000 0.00000 0.00003 -0.00010 122 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 9 C 1S -0.00023 -0.00161 0.00000 0.00000 -0.00012 126 2S 0.00204 0.01889 0.00098 -0.00035 0.00237 127 2PX 0.00300 0.00400 0.00003 0.00003 0.00056 128 2PY 0.00311 0.01893 0.00572 -0.00069 0.00093 129 2PZ 0.00023 0.00340 0.00082 -0.00009 0.00093 130 3S 0.00438 0.00559 0.00365 -0.00089 0.00309 131 3PX -0.00119 0.00103 0.00008 -0.00025 0.00065 132 3PY 0.00317 0.00128 0.00711 -0.00092 0.00076 133 3PZ 0.00014 0.00107 -0.00235 -0.00008 0.00051 134 4XX -0.00023 -0.00029 -0.00003 0.00001 -0.00007 135 4YY 0.00047 0.00015 0.00079 -0.00003 0.00002 136 4ZZ -0.00005 -0.00133 -0.00025 0.00000 -0.00001 137 4XY 0.00060 0.00010 0.00000 0.00001 0.00003 138 4XZ 0.00002 0.00006 0.00002 0.00000 0.00000 139 4YZ 0.00000 0.00017 0.00052 0.00000 -0.00003 140 10 H 1S 0.00001 0.00025 -0.00002 0.00000 0.00000 141 2S 0.00016 0.00290 -0.00012 0.00000 0.00000 142 11 H 1S 0.00001 -0.00001 0.00000 0.00000 0.00000 143 2S 0.00005 0.00028 0.00052 0.00000 0.00000 144 12 H 1S 0.01406 0.01778 0.02971 -0.00041 -0.00037 145 2S 0.00970 0.01419 0.02515 -0.00063 -0.00030 146 13 H 1S -0.00004 -0.00254 -0.00199 0.00000 0.00000 147 2S -0.00012 -0.00771 -0.00631 0.00010 -0.00028 148 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00007 0.00000 0.00003 0.00000 0.00000 150 2PX 0.00023 0.00000 0.00008 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00006 0.00000 0.00007 0.00000 0.00000 153 3S 0.00178 0.00003 0.00067 0.00000 0.00000 154 3PX 0.00199 0.00002 0.00075 0.00001 0.00000 155 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 156 3PZ 0.00061 0.00003 0.00035 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 -0.00001 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00003 0.00001 0.00001 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00010 0.00001 -0.00007 0.00000 0.00000 167 17 C 1S 0.00008 0.00009 0.00000 0.00000 0.00000 168 2S -0.00139 -0.00169 0.00016 0.00000 0.00001 169 2PX -0.00040 0.00054 0.00007 -0.00002 0.00005 170 2PY -0.00413 -0.00096 -0.00060 0.00001 0.00004 171 2PZ 0.00003 -0.00056 -0.00005 0.00001 -0.00001 172 3S -0.00570 -0.00364 -0.00118 -0.00004 0.00027 173 3PX 0.00038 0.00476 -0.00012 -0.00024 0.00042 174 3PY -0.00754 -0.00108 -0.00174 0.00015 0.00022 175 3PZ 0.00030 -0.00101 -0.00200 0.00009 -0.00008 176 4XX 0.00012 0.00017 0.00005 0.00000 0.00000 177 4YY 0.00000 0.00001 -0.00002 0.00000 0.00000 178 4ZZ -0.00002 -0.00008 0.00001 0.00000 0.00000 179 4XY 0.00010 0.00024 0.00003 0.00000 0.00000 180 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 181 4YZ 0.00006 0.00003 0.00001 0.00000 0.00000 182 18 H 1S -0.00010 -0.00106 -0.00008 0.00000 0.00000 183 2S -0.00120 -0.00411 0.00010 0.00000 -0.00002 184 19 H 1S 0.00014 0.00008 0.00002 0.00000 0.00000 185 2S 0.00203 0.00154 0.00017 0.00000 -0.00001 121 122 123 124 125 121 4ZZ 0.00087 122 4XY 0.00000 0.00117 123 4XZ 0.00000 0.00000 0.00142 124 4YZ 0.00000 0.00000 0.00000 0.00114 125 9 C 1S 0.00000 -0.00002 0.00000 -0.00003 2.05347 126 2S -0.00031 0.00033 0.00004 0.00050 -0.01385 127 2PX -0.00004 0.00077 0.00008 0.00008 0.00000 128 2PY -0.00064 0.00061 0.00016 0.00081 0.00000 129 2PZ 0.00003 0.00012 0.00004 0.00050 0.00000 130 3S -0.00083 0.00009 0.00002 0.00034 -0.03072 131 3PX -0.00017 0.00074 0.00015 0.00002 0.00000 132 3PY -0.00064 0.00012 0.00002 0.00013 0.00000 133 3PZ -0.00023 -0.00002 0.00005 0.00036 0.00000 134 4XX 0.00001 0.00000 0.00000 -0.00001 -0.00098 135 4YY -0.00004 0.00000 -0.00003 -0.00001 -0.00125 136 4ZZ 0.00001 -0.00002 0.00000 0.00000 -0.00155 137 4XY 0.00000 -0.00006 -0.00001 -0.00002 0.00000 138 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 139 4YZ 0.00000 -0.00002 -0.00001 -0.00006 0.00000 140 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 141 2S 0.00000 0.00000 0.00000 0.00000 0.00022 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2S 0.00000 0.00000 0.00000 0.00000 0.00000 144 12 H 1S 0.00082 0.00127 0.00173 0.00250 0.00000 145 2S 0.00107 0.00025 0.00035 0.00048 0.00009 146 13 H 1S 0.00002 0.00000 0.00000 0.00004 -0.00208 147 2S 0.00029 -0.00001 0.00000 0.00018 -0.00144 148 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00001 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 170 2PY 0.00000 0.00006 -0.00001 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 172 3S -0.00005 0.00004 -0.00002 0.00001 0.00000 173 3PX 0.00001 0.00000 0.00002 0.00005 0.00000 174 3PY -0.00011 0.00011 -0.00004 -0.00002 0.00000 175 3PZ -0.00001 0.00003 0.00006 0.00008 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00002 -0.00003 0.00000 0.00001 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 2S 0.32638 127 2PX 0.00000 0.35796 128 2PY 0.00000 0.00000 0.39547 129 2PZ 0.00000 0.00000 0.00000 0.41513 130 3S 0.21327 0.00000 0.00000 0.00000 0.26180 131 3PX 0.00000 0.11878 0.00000 0.00000 0.00000 132 3PY 0.00000 0.00000 0.08132 0.00000 0.00000 133 3PZ 0.00000 0.00000 0.00000 0.08701 0.00000 134 4XX -0.00923 0.00000 0.00000 0.00000 -0.00650 135 4YY -0.00403 0.00000 0.00000 0.00000 -0.00288 136 4ZZ 0.00133 0.00000 0.00000 0.00000 0.00239 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00020 -0.00015 -0.00047 -0.00009 -0.00301 141 2S -0.00306 -0.00173 -0.00690 -0.00091 -0.00992 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00017 143 2S 0.00014 0.00007 0.00003 0.00036 0.00184 144 12 H 1S -0.00011 -0.00009 -0.00041 -0.00002 -0.00299 145 2S -0.00149 -0.00100 -0.00499 -0.00033 -0.00687 146 13 H 1S 0.03301 0.00547 0.01015 0.08222 0.04236 147 2S 0.01562 0.00337 0.00635 0.04844 0.02635 148 14 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 0.00001 153 3S 0.00000 0.00001 0.00000 -0.00001 -0.00005 154 3PX 0.00000 0.00004 0.00000 -0.00002 -0.00013 155 3PY 0.00000 -0.00002 0.00000 0.00001 0.00002 156 3PZ 0.00000 -0.00003 0.00000 0.00001 0.00015 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00002 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00005 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 172 3S 0.00002 0.00000 0.00011 0.00000 0.00034 173 3PX 0.00004 0.00000 0.00010 0.00001 0.00058 174 3PY 0.00000 -0.00001 0.00002 0.00001 -0.00015 175 3PZ -0.00003 -0.00001 -0.00010 0.00000 -0.00028 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00001 0.00000 0.00009 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 131 132 133 134 135 131 3PX 0.13495 132 3PY 0.00000 0.07237 133 3PZ 0.00000 0.00000 0.06937 134 4XX 0.00000 0.00000 0.00000 0.00099 135 4YY 0.00000 0.00000 0.00000 0.00006 0.00130 136 4ZZ 0.00000 0.00000 0.00000 -0.00005 -0.00021 137 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 10 H 1S -0.00081 -0.00145 -0.00050 0.00001 0.00009 141 2S -0.00246 -0.00768 -0.00139 0.00011 0.00087 142 11 H 1S 0.00007 0.00003 0.00024 0.00000 0.00000 143 2S 0.00049 0.00027 0.00209 0.00000 0.00000 144 12 H 1S -0.00046 -0.00161 0.00003 0.00000 0.00004 145 2S -0.00105 -0.00468 -0.00035 0.00008 0.00014 146 13 H 1S 0.00295 0.00446 0.04120 -0.00072 -0.00113 147 2S 0.00257 0.00493 0.03550 -0.00076 -0.00222 148 14 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 0.00004 0.00000 -0.00002 0.00000 0.00000 151 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00005 0.00001 0.00001 0.00000 0.00000 153 3S 0.00015 0.00004 -0.00015 0.00000 0.00000 154 3PX 0.00053 -0.00008 -0.00027 0.00000 0.00000 155 3PY -0.00029 0.00000 0.00011 0.00000 0.00000 156 3PZ -0.00061 0.00012 0.00012 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 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00004 -0.00002 0.00002 0.00000 0.00000 165 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00004 0.00000 -0.00001 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00002 0.00006 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00017 0.00000 0.00000 0.00000 170 2PY -0.00004 -0.00004 0.00002 0.00000 0.00000 171 2PZ 0.00001 -0.00010 -0.00001 0.00000 0.00000 172 3S -0.00006 0.00117 0.00002 0.00000 0.00000 173 3PX 0.00005 0.00129 0.00002 0.00000 0.00000 174 3PY 0.00000 -0.00023 0.00008 0.00000 -0.00001 175 3PZ 0.00002 -0.00101 -0.00007 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 183 2S 0.00003 0.00014 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 -0.00008 -0.00001 0.00000 0.00000 136 137 138 139 140 136 4ZZ 0.00141 137 4XY 0.00000 0.00056 138 4XZ 0.00000 0.00000 0.00061 139 4YZ 0.00000 0.00000 0.00000 0.00108 140 10 H 1S -0.00002 0.00003 -0.00001 0.00001 0.21396 141 2S -0.00049 0.00010 -0.00006 -0.00002 0.10396 142 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 143 2S -0.00003 0.00000 0.00000 0.00000 -0.00057 144 12 H 1S 0.00000 0.00002 0.00000 0.00002 0.00000 145 2S -0.00006 0.00008 0.00001 0.00009 0.00000 146 13 H 1S 0.00482 0.00018 0.00066 0.00145 -0.00001 147 2S 0.00444 0.00005 0.00010 0.00026 -0.00072 148 14 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 15 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 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 2S 0.13396 142 11 H 1S -0.00076 0.22093 143 2S -0.00303 0.10861 0.14526 144 12 H 1S 0.00000 0.00000 0.00000 0.21418 145 2S -0.00012 0.00000 0.00002 0.09966 0.12657 146 13 H 1S -0.00070 0.00000 0.00000 -0.00001 -0.00066 147 2S -0.00386 0.00000 -0.00014 -0.00067 -0.00297 148 14 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 149 2S 0.00000 -0.00001 -0.00044 0.00000 0.00000 150 2PX -0.00001 -0.00002 -0.00087 0.00000 0.00000 151 2PY 0.00000 -0.00002 -0.00002 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00009 0.00000 0.00000 153 3S -0.00008 -0.00070 -0.00328 0.00000 -0.00003 154 3PX -0.00012 -0.00015 -0.00169 0.00000 -0.00005 155 3PY 0.00008 -0.00019 0.00054 0.00000 0.00000 156 3PZ 0.00008 -0.00007 -0.00001 0.00000 -0.00001 157 4XX 0.00000 0.00000 -0.00003 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00003 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00003 0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00005 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 163 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00001 0.00001 -0.00001 0.00000 -0.00001 165 16 H 1S 0.00000 0.00000 0.00075 0.00000 0.00000 166 2S -0.00004 0.00049 0.00544 0.00000 0.00000 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 168 2S 0.00000 0.00000 0.00000 -0.00001 -0.00042 169 2PX 0.00000 0.00000 0.00000 -0.00001 0.00012 170 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00090 171 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00005 172 3S 0.00001 0.00000 -0.00004 -0.00043 -0.00233 173 3PX 0.00000 0.00000 0.00000 -0.00014 0.00068 174 3PY 0.00000 0.00000 -0.00009 0.00002 -0.00145 175 3PZ 0.00000 0.00000 -0.00001 -0.00032 -0.00049 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 177 4YY 0.00000 0.00000 0.00000 0.00000 -0.00003 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 179 4XY 0.00000 0.00000 0.00000 0.00000 -0.00004 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 181 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00070 183 2S 0.00000 0.00000 0.00000 0.00046 0.00487 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00001 0.00000 146 147 148 149 150 146 13 H 1S 0.21403 147 2S 0.10338 0.13117 148 14 C 1S 0.00000 0.00000 2.05313 149 2S 0.00000 0.00000 -0.01369 0.31859 150 2PX 0.00000 0.00000 0.00000 0.00000 0.40295 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 -0.03220 0.23571 0.00000 154 3PX 0.00000 0.00001 0.00000 0.00000 0.11729 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00137 -0.00241 0.00000 158 4YY 0.00000 0.00000 -0.00154 0.00018 0.00000 159 4ZZ 0.00000 0.00000 -0.00124 -0.00537 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 15 H 1S 0.00000 0.00000 -0.00200 0.03248 0.02646 164 2S 0.00000 0.00000 -0.00120 0.01683 0.01480 165 16 H 1S 0.00000 0.00000 -0.00201 0.03262 0.01454 166 2S 0.00000 0.00000 -0.00132 0.01775 0.00814 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 172 3S 0.00000 -0.00005 0.00001 -0.00023 -0.00056 173 3PX 0.00000 -0.00007 0.00001 -0.00019 0.00025 174 3PY 0.00000 -0.00003 0.00000 -0.00006 -0.00031 175 3PZ 0.00000 0.00009 0.00000 -0.00009 -0.00079 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 184 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00014 0.00010 151 152 153 154 155 151 2PY 0.39669 152 2PZ 0.00000 0.37299 153 3S 0.00000 0.00000 0.31414 154 3PX 0.00000 0.00000 0.00000 0.11746 155 3PY 0.10055 0.00000 0.00000 0.00000 0.08827 156 3PZ 0.00000 0.12180 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00072 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00103 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00389 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 15 H 1S 0.06874 0.00314 0.03193 0.01688 0.03654 164 2S 0.04085 0.00187 0.00597 0.01408 0.03354 165 16 H 1S 0.03945 0.04403 0.03078 0.00992 0.01977 166 2S 0.02414 0.02565 0.00824 0.00838 0.01883 167 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 168 2S 0.00000 0.00000 -0.00020 -0.00003 -0.00027 169 2PX 0.00000 -0.00002 -0.00005 0.00046 0.00033 170 2PY 0.00001 -0.00001 -0.00068 -0.00028 0.00013 171 2PZ -0.00002 0.00002 -0.00016 -0.00071 -0.00083 172 3S -0.00002 -0.00037 -0.00344 -0.00256 -0.00047 173 3PX 0.00035 -0.00094 -0.00065 0.00102 0.00191 174 3PY 0.00057 -0.00078 -0.00325 -0.00108 0.00126 175 3PZ -0.00071 0.00074 -0.00081 -0.00386 -0.00305 176 4XX 0.00000 0.00000 0.00003 0.00001 -0.00001 177 4YY 0.00000 0.00000 -0.00002 -0.00001 0.00000 178 4ZZ 0.00000 0.00000 0.00001 0.00001 0.00002 179 4XY 0.00000 0.00000 -0.00001 -0.00001 0.00001 180 4XZ 0.00000 0.00000 0.00001 0.00001 0.00000 181 4YZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00000 0.00006 -0.00004 0.00013 184 19 H 1S 0.00000 0.00000 0.00018 0.00024 -0.00030 185 2S 0.00014 0.00009 0.00255 0.00118 0.00008 156 157 158 159 160 156 3PZ 0.13667 157 4XX 0.00000 0.00080 158 4YY 0.00000 -0.00006 0.00091 159 4ZZ 0.00000 -0.00006 0.00004 0.00082 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00113 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 15 H 1S 0.00101 -0.00043 0.00326 -0.00087 0.00297 164 2S 0.00079 -0.00033 0.00311 -0.00178 0.00060 165 16 H 1S 0.02451 -0.00091 0.00045 0.00098 0.00119 166 2S 0.02160 -0.00148 0.00020 0.00191 0.00031 167 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00003 0.00000 0.00000 0.00000 0.00000 169 2PX -0.00072 0.00000 0.00000 0.00000 0.00000 170 2PY -0.00081 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00087 0.00000 0.00000 0.00000 0.00000 172 3S -0.00167 -0.00001 0.00003 0.00000 -0.00001 173 3PX -0.00383 0.00001 -0.00001 0.00001 0.00001 174 3PY -0.00403 0.00000 0.00003 -0.00002 -0.00002 175 3PZ 0.00287 -0.00003 0.00002 0.00001 0.00000 176 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 177 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00007 0.00000 0.00000 0.00000 0.00000 184 19 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 185 2S 0.00092 0.00000 0.00001 -0.00002 -0.00001 161 162 163 164 165 161 4XZ 0.00069 162 4YZ 0.00000 0.00082 163 15 H 1S 0.00025 0.00028 0.21419 164 2S 0.00008 0.00001 0.10294 0.13066 165 16 H 1S 0.00087 0.00277 -0.00050 -0.00779 0.21404 166 2S 0.00015 0.00046 -0.00789 -0.02406 0.10381 167 17 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 168 2S 0.00000 0.00000 0.00000 0.00015 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00024 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00017 0.00000 171 2PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 172 3S -0.00001 0.00000 0.00018 0.00251 0.00000 173 3PX 0.00000 0.00002 -0.00023 0.00058 0.00000 174 3PY -0.00003 0.00001 0.00033 0.00167 0.00000 175 3PZ 0.00000 -0.00001 0.00002 -0.00030 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 -0.00002 0.00000 179 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 182 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 -0.00011 0.00000 184 19 H 1S 0.00000 0.00000 -0.00001 0.00042 0.00000 185 2S 0.00000 0.00000 0.00042 0.00324 0.00000 166 167 168 169 170 166 2S 0.13090 167 17 C 1S 0.00000 2.05314 168 2S 0.00000 -0.01384 0.32165 169 2PX 0.00001 0.00000 0.00000 0.38437 170 2PY 0.00000 0.00000 0.00000 0.00000 0.41380 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00007 -0.03153 0.22947 0.00000 0.00000 173 3PX 0.00010 0.00000 0.00000 0.10918 0.00000 174 3PY -0.00007 0.00000 0.00000 0.00000 0.10535 175 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 -0.00140 -0.00242 0.00000 0.00000 177 4YY 0.00000 -0.00148 -0.00032 0.00000 0.00000 178 4ZZ 0.00000 -0.00127 -0.00474 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.00000 -0.00203 0.03303 0.02926 0.02629 183 2S 0.00000 -0.00135 0.01825 0.01766 0.01462 184 19 H 1S 0.00000 -0.00201 0.03256 0.05500 0.02349 185 2S -0.00011 -0.00119 0.01646 0.03260 0.01316 171 172 173 174 175 171 2PZ 0.37326 172 3S 0.00000 0.29885 173 3PX 0.00000 0.00000 0.11060 174 3PY 0.00000 0.00000 0.00000 0.09205 175 3PZ 0.11671 0.00000 0.00000 0.00000 0.12729 176 4XX 0.00000 -0.00253 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00111 0.00000 0.00000 0.00000 178 4ZZ 0.00000 -0.00405 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S 0.04282 0.03059 0.01381 0.01696 0.02292 183 2S 0.02555 0.01015 0.01283 0.01390 0.02060 184 19 H 1S 0.02010 0.03360 0.02887 0.01491 0.00941 185 2S 0.01191 0.01032 0.02567 0.01247 0.00832 176 177 178 179 180 176 4XX 0.00073 177 4YY -0.00008 0.00067 178 4ZZ 0.00014 -0.00004 0.00064 179 4XY 0.00000 0.00000 0.00000 0.00113 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00083 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 18 H 1S -0.00014 -0.00066 0.00107 0.00148 0.00185 183 2S -0.00029 -0.00091 0.00180 0.00036 0.00024 184 19 H 1S 0.00203 -0.00073 -0.00048 0.00212 0.00159 185 2S 0.00245 -0.00112 -0.00056 0.00045 0.00019 181 182 183 184 185 181 4YZ 0.00102 182 18 H 1S 0.00184 0.21448 183 2S 0.00037 0.10371 0.13079 184 19 H 1S 0.00095 -0.00050 -0.00792 0.21453 185 2S 0.00024 -0.00787 -0.02438 0.10302 0.13075 Gross orbital populations: 1 1 1 S 1S 1.99865 2 2S 1.98961 3 2PX 1.98907 4 2PY 1.98802 5 2PZ 1.98782 6 3S 1.47701 7 3PX 0.97137 8 3PY 0.83367 9 3PZ 0.82243 10 4S 0.33525 11 4PX 0.21628 12 4PY 0.10806 13 4PZ 0.13632 14 5XX -0.00525 15 5YY 0.03610 16 5ZZ 0.01427 17 5XY 0.07456 18 5XZ 0.04711 19 5YZ 0.06306 20 2 O 1S 1.99274 21 2S 0.92703 22 2PX 1.03493 23 2PY 0.84782 24 2PZ 0.94831 25 3S 1.02774 26 3PX 0.69335 27 3PY 0.43982 28 3PZ 0.62679 29 4XX -0.01294 30 4YY 0.01102 31 4ZZ -0.00626 32 4XY 0.00693 33 4XZ 0.00159 34 4YZ 0.00840 35 3 O 1S 1.99252 36 2S 0.90989 37 2PX 0.84244 38 2PY 1.02585 39 2PZ 0.98739 40 3S 1.02854 41 3PX 0.47638 42 3PY 0.64983 43 3PZ 0.64584 44 4XX 0.01026 45 4YY -0.00775 46 4ZZ -0.00846 47 4XY 0.00388 48 4XZ 0.00723 49 4YZ 0.00517 50 4 C 1S 1.99194 51 2S 0.71058 52 2PX 0.61166 53 2PY 0.72851 54 2PZ 0.72233 55 3S 0.50831 56 3PX 0.36304 57 3PY 0.24822 58 3PZ 0.19991 59 4XX -0.01830 60 4YY 0.01140 61 4ZZ -0.00262 62 4XY 0.00487 63 4XZ 0.00472 64 4YZ 0.00946 65 5 C 1S 1.99299 66 2S 0.69301 67 2PX 0.57692 68 2PY 0.72883 69 2PZ 0.72710 70 3S 0.58113 71 3PX 0.17075 72 3PY 0.25422 73 3PZ 0.24507 74 4XX 0.00196 75 4YY -0.00150 76 4ZZ 0.00260 77 4XY 0.01386 78 4XZ 0.01493 79 4YZ 0.01313 80 6 C 1S 1.99200 81 2S 0.71723 82 2PX 0.72934 83 2PY 0.68344 84 2PZ 0.65174 85 3S 0.42197 86 3PX 0.12123 87 3PY 0.18519 88 3PZ 0.26320 89 4XX -0.00282 90 4YY -0.00532 91 4ZZ -0.01116 92 4XY 0.01105 93 4XZ 0.00744 94 4YZ 0.00710 95 7 C 1S 1.99209 96 2S 0.71228 97 2PX 0.65558 98 2PY 0.76149 99 2PZ 0.64699 100 3S 0.43797 101 3PX 0.19915 102 3PY 0.08848 103 3PZ 0.28696 104 4XX -0.00939 105 4YY 0.00022 106 4ZZ -0.01298 107 4XY 0.01140 108 4XZ 0.00558 109 4YZ 0.01060 110 8 C 1S 1.99278 111 2S 0.67759 112 2PX 0.67137 113 2PY 0.72283 114 2PZ 0.67182 115 3S 0.71651 116 3PX 0.33164 117 3PY 0.30639 118 3PZ 0.35545 119 4XX -0.00398 120 4YY 0.00041 121 4ZZ -0.00136 122 4XY 0.00938 123 4XZ 0.01064 124 4YZ 0.00904 125 9 C 1S 1.99196 126 2S 0.70656 127 2PX 0.61465 128 2PY 0.70826 129 2PZ 0.73942 130 3S 0.51522 131 3PX 0.36283 132 3PY 0.19498 133 3PZ 0.25431 134 4XX -0.01857 135 4YY -0.00286 136 4ZZ 0.01029 137 4XY 0.00539 138 4XZ 0.00500 139 4YZ 0.00990 140 10 H 1S 0.52768 141 2S 0.31792 142 11 H 1S 0.53690 143 2S 0.30915 144 12 H 1S 0.52764 145 2S 0.29610 146 13 H 1S 0.52787 147 2S 0.31598 148 14 C 1S 1.99169 149 2S 0.70149 150 2PX 0.71793 151 2PY 0.69868 152 2PZ 0.64893 153 3S 0.61123 154 3PX 0.32846 155 3PY 0.32797 156 3PZ 0.37979 157 4XX -0.00182 158 4YY 0.00361 159 4ZZ -0.00989 160 4XY 0.00912 161 4XZ 0.00599 162 4YZ 0.00554 163 15 H 1S 0.52849 164 2S 0.31965 165 16 H 1S 0.52835 166 2S 0.32205 167 17 C 1S 1.99170 168 2S 0.70448 169 2PX 0.66962 170 2PY 0.74675 171 2PZ 0.64508 172 3S 0.60521 173 3PX 0.35544 174 3PY 0.28762 175 3PZ 0.37282 176 4XX -0.00366 177 4YY 0.00351 178 4ZZ -0.00972 179 4XY 0.00923 180 4XZ 0.00510 181 4YZ 0.00831 182 18 H 1S 0.52888 183 2S 0.32077 184 19 H 1S 0.52891 185 2S 0.31880 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 S 14.787478 0.314118 0.009827 -0.005975 -0.000399 -0.009316 2 O 0.314118 8.294687 -0.030646 0.000110 -0.000706 -0.000150 3 O 0.009827 -0.030646 8.558577 -0.048565 0.164780 -0.033808 4 C -0.005975 0.000110 -0.048565 4.973754 0.345914 -0.036297 5 C -0.000399 -0.000706 0.164780 0.345914 4.983392 0.332825 6 C -0.009316 -0.000150 -0.033808 -0.036297 0.332825 4.673157 7 C -0.020096 0.001966 -0.014209 -0.022111 -0.029805 0.416381 8 C 0.055422 -0.040026 0.005352 -0.063577 -0.027167 -0.055037 9 C -0.020515 0.001777 -0.012521 0.656797 -0.035797 -0.019938 10 H 0.000411 0.000002 0.002685 0.366309 -0.038827 0.003592 11 H 0.000447 -0.000095 -0.035050 -0.042759 0.375803 -0.042369 12 H -0.025159 0.000607 0.001587 0.004137 0.000695 0.003960 13 H 0.000925 -0.000019 -0.000118 -0.036357 0.004218 0.000436 14 C 0.000144 -0.000106 0.001014 0.001774 -0.062706 0.625108 15 H -0.000029 -0.000001 -0.000084 -0.000278 0.005383 -0.016444 16 H 0.000023 0.000000 0.000140 0.000381 -0.010157 -0.015525 17 C -0.004246 0.005866 0.000072 0.000800 0.007697 -0.047593 18 H 0.000639 -0.000194 0.000000 -0.000005 -0.000176 0.005157 19 H -0.000301 0.000094 -0.000005 -0.000038 0.000051 -0.012511 7 8 9 10 11 12 1 S -0.020096 0.055422 -0.020515 0.000411 0.000447 -0.025159 2 O 0.001966 -0.040026 0.001777 0.000002 -0.000095 0.000607 3 O -0.014209 0.005352 -0.012521 0.002685 -0.035050 0.001587 4 C -0.022111 -0.063577 0.656797 0.366309 -0.042759 0.004137 5 C -0.029805 -0.027167 -0.035797 -0.038827 0.375803 0.000695 6 C 0.416381 -0.055037 -0.019938 0.003592 -0.042369 0.003960 7 C 4.668246 0.289899 -0.030444 0.000232 0.004547 -0.028949 8 C 0.289899 5.760831 0.289006 0.005099 0.001114 0.356839 9 C -0.030444 0.289006 4.958647 -0.039883 0.005774 -0.025922 10 H 0.000232 0.005099 -0.039883 0.555850 -0.004366 -0.000128 11 H 0.004547 0.001114 0.005774 -0.004366 0.583419 0.000016 12 H -0.028949 0.356839 -0.025922 -0.000128 0.000016 0.540072 13 H 0.002270 -0.038206 0.368571 -0.005296 -0.000144 -0.004313 14 C -0.059613 0.010768 -0.000377 -0.000052 -0.006828 -0.000100 15 H -0.009917 0.000027 -0.000039 0.000007 0.000003 -0.000006 16 H 0.004848 -0.000244 0.000031 -0.000037 0.006687 0.000003 17 C 0.646533 -0.073654 0.002034 0.000011 -0.000143 -0.005641 18 H -0.014734 -0.012205 0.000288 0.000000 0.000003 0.006029 19 H -0.018622 0.006268 -0.000147 0.000000 -0.000006 0.000008 13 14 15 16 17 18 1 S 0.000925 0.000144 -0.000029 0.000023 -0.004246 0.000639 2 O -0.000019 -0.000106 -0.000001 0.000000 0.005866 -0.000194 3 O -0.000118 0.001014 -0.000084 0.000140 0.000072 0.000000 4 C -0.036357 0.001774 -0.000278 0.000381 0.000800 -0.000005 5 C 0.004218 -0.062706 0.005383 -0.010157 0.007697 -0.000176 6 C 0.000436 0.625108 -0.016444 -0.015525 -0.047593 0.005157 7 C 0.002270 -0.059613 -0.009917 0.004848 0.646533 -0.014734 8 C -0.038206 0.010768 0.000027 -0.000244 -0.073654 -0.012205 9 C 0.368571 -0.000377 -0.000039 0.000031 0.002034 0.000288 10 H -0.005296 -0.000052 0.000007 -0.000037 0.000011 0.000000 11 H -0.000144 -0.006828 0.000003 0.006687 -0.000143 0.000003 12 H -0.004313 -0.000100 -0.000006 0.000003 -0.005641 0.006029 13 H 0.551952 0.000010 0.000000 0.000000 -0.000069 -0.000012 14 C 0.000010 5.230079 0.349835 0.351926 -0.027755 0.000088 15 H 0.000000 0.349835 0.550724 -0.040249 0.005253 -0.000113 16 H 0.000000 0.351926 -0.040249 0.552547 0.000133 0.000003 17 C -0.000069 -0.027755 0.005253 0.000133 5.176535 0.352862 18 H -0.000012 0.000088 -0.000113 0.000003 0.352862 0.552694 19 H 0.000003 0.005512 0.004071 -0.000108 0.352794 -0.040672 19 1 S -0.000301 2 O 0.000094 3 O -0.000005 4 C -0.000038 5 C 0.000051 6 C -0.012511 7 C -0.018622 8 C 0.006268 9 C -0.000147 10 H 0.000000 11 H -0.000006 12 H 0.000008 13 H 0.000003 14 C 0.005512 15 H 0.004071 16 H -0.000108 17 C 0.352794 18 H -0.040672 19 H 0.551320 Mulliken charges: 1 1 S 0.916601 2 O -0.547283 3 O -0.569029 4 C -0.094015 5 C -0.015019 6 C 0.228369 7 C 0.213578 8 C -0.470508 9 C -0.097340 10 H 0.154393 11 H 0.153949 12 H 0.176265 13 H 0.156149 14 C -0.418719 15 H 0.151858 16 H 0.149599 17 C -0.391489 18 H 0.150349 19 H 0.152291 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 S 0.916601 2 O -0.547283 3 O -0.569029 4 C 0.060378 5 C 0.138931 6 C 0.228369 7 C 0.213578 8 C -0.294243 9 C 0.058809 14 C -0.117262 17 C -0.088849 APT charges: 1 1 S 1.003460 2 O -0.595779 3 O -0.715222 4 C -0.095052 5 C 0.437703 6 C 0.025378 7 C 0.019246 8 C -0.040354 9 C -0.011230 10 H 0.034469 11 H -0.029776 12 H -0.003605 13 H 0.027563 14 C -0.106285 15 H 0.034410 16 H 0.031825 17 C -0.085153 18 H 0.028330 19 H 0.040071 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 S 1.003460 2 O -0.595779 3 O -0.715222 4 C -0.060583 5 C 0.407927 6 C 0.025378 7 C 0.019246 8 C -0.043959 9 C 0.016333 14 C -0.040050 17 C -0.016751 Electronic spatial extent (au): = 1508.1679 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -2.3298 Y= -1.8413 Z= 2.8689 Tot= 4.1290 Quadrupole moment (field-independent basis, Debye-Ang): XX= -69.8358 YY= -67.7636 ZZ= -69.1120 XY= -2.2208 XZ= 7.3284 YZ= 2.7520 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.9320 YY= 1.1402 ZZ= -0.2082 XY= -2.2208 XZ= 7.3284 YZ= 2.7520 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 6.0911 YYY= -6.0170 ZZZ= 1.5384 XYY= -12.4699 XXY= -1.1590 XXZ= -6.2219 XZZ= 5.0843 YZZ= -3.8526 YYZ= 6.6274 XYZ= 2.1758 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -841.7965 YYYY= -640.3001 ZZZZ= -438.4881 XXXY= -15.8112 XXXZ= 19.1226 YYYX= 2.4400 YYYZ= 8.7221 ZZZX= 9.8409 ZZZY= -1.4486 XXYY= -254.7253 XXZZ= -215.0670 YYZZ= -181.1903 XXYZ= 10.1946 YYXZ= 9.4312 ZZXY= 7.6410 N-N= 7.325988894536D+02 E-N=-3.481930674004D+03 KE= 8.525480293581D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -89.020548 120.980535 2 O -19.175565 29.026973 3 O -19.130718 29.029664 4 O -10.262779 15.893163 5 O -10.231409 15.888074 6 O -10.214801 15.882053 7 O -10.213160 15.879866 8 O -10.212604 15.881891 9 O -10.208007 15.881547 10 O -10.195292 15.879088 11 O -10.194077 15.879133 12 O -8.061967 18.514673 13 O -6.027300 17.505270 14 O -6.024410 17.509508 15 O -6.019372 17.524254 16 O -1.062969 2.509383 17 O -0.999430 2.726896 18 O -0.867807 1.585716 19 O -0.796998 1.599092 20 O -0.787372 1.700568 21 O -0.720569 1.812978 22 O -0.677992 1.569470 23 O -0.639499 2.207813 24 O -0.618356 1.455318 25 O -0.563438 1.480691 26 O -0.526622 1.139416 27 O -0.508005 1.577508 28 O -0.487943 1.492798 29 O -0.483724 1.370328 30 O -0.455018 1.340214 31 O -0.440936 1.960137 32 O -0.429619 1.310948 33 O -0.420157 1.284667 34 O -0.412975 1.666059 35 O -0.398746 1.758998 36 O -0.379903 1.588881 37 O -0.361702 1.758178 38 O -0.354045 1.614275 39 O -0.325074 1.431466 40 O -0.296495 1.990445 41 O -0.292439 1.961530 42 O -0.274953 1.851154 43 O -0.248709 1.689267 44 O -0.226456 1.684129 45 V -0.045404 1.437039 46 V -0.026654 1.723313 47 V 0.006074 2.391147 48 V 0.039430 1.982404 49 V 0.077227 1.041988 50 V 0.087252 1.672687 51 V 0.099414 1.889550 52 V 0.108018 1.046518 53 V 0.117418 1.731427 54 V 0.140151 1.261381 55 V 0.155768 1.168854 56 V 0.158933 1.252512 57 V 0.176581 1.532352 58 V 0.193138 1.261065 59 V 0.197378 1.693524 60 V 0.213459 1.890832 61 V 0.252077 1.590716 62 V 0.258557 1.969805 63 V 0.300072 1.889319 64 V 0.322874 1.331182 65 V 0.332928 1.658303 66 V 0.351926 2.161313 67 V 0.366110 1.922906 68 V 0.389359 1.845259 69 V 0.404924 2.041617 70 V 0.414968 2.118266 71 V 0.428694 2.198071 72 V 0.475594 1.785282 73 V 0.490488 1.929982 74 V 0.518149 2.033624 75 V 0.530024 2.132101 76 V 0.540002 1.999267 77 V 0.557857 2.212671 78 V 0.568908 2.366438 79 V 0.580923 2.457963 80 V 0.592313 2.256100 81 V 0.625412 2.414117 82 V 0.631348 2.125928 83 V 0.639176 2.385355 84 V 0.658455 2.197249 85 V 0.665420 2.216569 86 V 0.679387 2.423139 87 V 0.686032 2.502332 88 V 0.736486 2.546199 89 V 0.759510 2.459408 90 V 0.778360 2.517080 91 V 0.801354 2.596144 92 V 0.815219 2.680657 93 V 0.819238 2.566659 94 V 0.826541 2.597130 95 V 0.836714 2.656350 96 V 0.848629 2.393515 97 V 0.853356 2.827971 98 V 0.867633 2.715608 99 V 0.890410 2.552711 100 V 0.912604 2.665399 101 V 0.932126 2.551016 102 V 0.949364 2.570909 103 V 0.956104 2.483403 104 V 0.969853 2.518420 105 V 0.983233 2.737142 106 V 0.998133 2.746305 107 V 1.023944 2.838997 108 V 1.064888 2.831016 109 V 1.083324 2.735182 110 V 1.089091 2.913814 111 V 1.113200 3.032241 112 V 1.143462 3.312338 113 V 1.159686 2.356266 114 V 1.176243 2.992250 115 V 1.194075 2.973759 116 V 1.197034 2.546186 117 V 1.234510 2.408090 118 V 1.306544 2.659221 119 V 1.326426 2.525175 120 V 1.337708 2.611526 121 V 1.409772 2.699953 122 V 1.423564 2.650463 123 V 1.458161 2.839540 124 V 1.535145 2.767767 125 V 1.559021 2.916929 126 V 1.587051 2.829263 127 V 1.629680 2.820631 128 V 1.662055 2.941904 129 V 1.698847 2.932871 130 V 1.710599 3.147825 131 V 1.736671 2.962316 132 V 1.747728 3.116279 133 V 1.757734 3.040141 134 V 1.814385 3.202587 135 V 1.832893 2.990636 136 V 1.842370 3.077954 137 V 1.852210 2.966843 138 V 1.865260 3.266513 139 V 1.896719 3.200027 140 V 1.914174 3.330992 141 V 1.930654 3.347820 142 V 1.971351 3.469679 143 V 1.986330 3.575519 144 V 2.021532 3.574672 145 V 2.034988 3.436889 146 V 2.051210 3.389199 147 V 2.090299 3.516945 148 V 2.121645 3.494765 149 V 2.158370 3.504408 150 V 2.172641 3.584349 151 V 2.173474 3.539331 152 V 2.199338 3.718304 153 V 2.220165 3.593889 154 V 2.250824 3.759536 155 V 2.303352 3.718209 156 V 2.344068 3.865028 157 V 2.364021 3.900972 158 V 2.401079 3.938278 159 V 2.411776 4.042689 160 V 2.469197 3.964807 161 V 2.489838 4.004918 162 V 2.500676 4.129437 163 V 2.557910 4.239309 164 V 2.575247 4.116185 165 V 2.652642 4.400666 166 V 2.686187 4.454162 167 V 2.737290 4.473514 168 V 2.748820 4.377133 169 V 2.794114 4.905134 170 V 2.829396 4.646291 171 V 2.881275 4.543123 172 V 2.919186 4.607703 173 V 3.062281 4.877928 174 V 3.140157 4.968959 175 V 3.749116 10.263438 176 V 3.978799 11.892369 177 V 4.071303 11.130030 178 V 4.119880 10.310748 179 V 4.152815 10.106586 180 V 4.198240 10.303483 181 V 4.288840 10.342810 182 V 4.372971 10.244997 183 V 4.444874 10.470754 184 V 4.627248 10.387272 185 V 4.846730 11.841508 Total kinetic energy from orbitals= 8.525480293581D+02 Exact polarizability: 104.147 2.923 109.399 13.987 7.513 88.443 Approx polarizability: 164.124 15.247 188.870 21.971 17.584 152.328 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 --- -3.4518 -0.0026 -0.0010 0.0020 3.8763 4.7756 Low frequencies --- 58.4954 116.3911 180.8664 Diagonal vibrational polarizability: 17.0086470 7.2408330 9.1000115 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 -- 58.4952 116.3911 180.8664 Red. masses -- 4.2211 5.8490 4.5125 Frc consts -- 0.0085 0.0467 0.0870 IR Inten -- 0.2754 3.0602 1.0402 Atom AN X Y Z X Y Z X Y Z 1 16 0.01 -0.01 0.05 0.05 -0.08 0.01 0.07 0.02 0.01 2 8 0.14 0.02 0.12 0.36 -0.12 -0.03 -0.07 -0.03 -0.11 3 8 -0.02 0.12 -0.06 -0.08 0.10 -0.08 0.20 -0.15 0.08 4 6 0.03 -0.02 -0.08 0.05 0.07 0.02 -0.16 0.07 -0.08 5 6 0.00 0.02 -0.05 -0.01 0.03 0.00 0.08 0.06 -0.11 6 6 -0.07 -0.04 0.03 -0.06 0.00 -0.01 0.08 0.06 -0.08 7 6 -0.01 0.00 -0.05 -0.07 0.04 -0.03 0.05 0.05 -0.04 8 6 -0.05 -0.01 0.01 0.02 0.10 -0.09 0.01 0.01 -0.03 9 6 -0.03 -0.03 -0.04 0.04 0.12 -0.01 -0.16 0.04 -0.05 10 1 0.06 -0.04 -0.11 0.05 0.08 0.06 -0.32 0.13 -0.07 11 1 0.03 0.03 -0.07 -0.02 -0.01 0.04 0.10 0.11 -0.16 12 1 -0.07 -0.02 0.03 0.02 0.14 -0.12 0.00 -0.04 0.02 13 1 -0.03 -0.05 -0.04 0.05 0.16 0.00 -0.32 0.04 0.00 14 6 -0.19 -0.14 0.22 -0.09 -0.06 0.01 -0.11 -0.08 0.21 15 1 -0.26 -0.21 0.35 -0.12 -0.07 -0.02 -0.22 -0.20 0.43 16 1 -0.23 -0.15 0.26 -0.08 -0.10 0.05 -0.16 -0.09 0.24 17 6 0.13 0.07 -0.25 -0.30 -0.06 0.19 -0.06 -0.01 0.11 18 1 0.16 0.11 -0.31 -0.34 -0.04 0.21 -0.12 -0.05 0.19 19 1 0.21 0.09 -0.37 -0.46 -0.15 0.35 -0.09 -0.01 0.14 4 5 6 A A A Frequencies -- 259.9749 314.9205 323.9714 Red. masses -- 6.2068 4.5578 3.8671 Frc consts -- 0.2472 0.2663 0.2391 IR Inten -- 0.5577 0.3089 0.4959 Atom AN X Y Z X Y Z X Y Z 1 16 0.03 -0.02 -0.11 0.05 0.12 -0.04 0.06 0.08 -0.01 2 8 -0.02 0.21 0.37 0.16 0.06 -0.16 0.11 0.07 -0.03 3 8 -0.05 -0.08 -0.03 -0.04 0.10 0.09 0.02 -0.07 0.15 4 6 -0.14 0.08 0.12 -0.19 -0.02 0.05 -0.10 -0.04 0.03 5 6 -0.05 -0.06 0.03 -0.04 -0.01 0.05 -0.08 -0.05 0.02 6 6 0.00 -0.03 -0.07 -0.09 -0.05 0.04 -0.06 -0.05 0.00 7 6 0.11 -0.02 -0.14 -0.04 -0.08 0.05 -0.01 -0.10 -0.02 8 6 0.17 -0.02 -0.18 -0.01 -0.07 0.02 0.03 -0.04 -0.02 9 6 -0.03 0.10 0.03 -0.08 -0.06 0.02 0.09 -0.08 -0.06 10 1 -0.38 0.18 0.27 -0.42 0.06 0.10 -0.13 -0.02 0.07 11 1 -0.05 -0.12 0.08 0.05 0.00 -0.01 0.01 -0.06 -0.03 12 1 0.19 0.04 -0.24 -0.08 -0.09 0.07 -0.04 -0.03 0.02 13 1 -0.16 0.23 0.11 -0.19 -0.03 0.06 0.21 -0.10 -0.10 14 6 -0.03 -0.08 -0.02 -0.03 -0.16 -0.13 -0.04 0.23 0.07 15 1 -0.01 -0.04 -0.10 -0.13 -0.19 -0.29 0.18 0.33 0.23 16 1 -0.09 -0.16 0.09 0.14 -0.26 -0.13 -0.25 0.42 0.01 17 6 0.04 -0.08 0.04 0.18 -0.04 0.09 -0.13 -0.11 -0.15 18 1 0.11 -0.11 -0.01 0.34 -0.18 0.06 -0.22 0.05 -0.20 19 1 -0.10 -0.10 0.24 0.22 0.11 0.19 -0.18 -0.26 -0.24 7 8 9 A A A Frequencies -- 348.4531 390.6906 405.0065 Red. masses -- 4.0840 3.7025 3.7031 Frc consts -- 0.2922 0.3330 0.3579 IR Inten -- 2.5828 7.1977 5.3565 Atom AN X Y Z X Y Z X Y Z 1 16 -0.03 0.01 0.12 -0.01 0.02 0.11 -0.03 0.03 -0.08 2 8 -0.03 -0.04 0.01 -0.09 -0.07 -0.08 0.13 0.08 0.02 3 8 0.01 -0.10 0.14 -0.03 0.17 -0.07 0.07 -0.17 -0.02 4 6 0.03 0.01 -0.03 0.05 0.02 0.05 0.14 -0.09 0.01 5 6 -0.07 0.02 -0.01 0.08 -0.09 -0.04 0.02 -0.10 0.01 6 6 -0.10 0.05 -0.09 -0.01 -0.11 -0.08 -0.02 -0.05 -0.04 7 6 -0.04 0.04 -0.11 0.04 -0.11 -0.13 -0.10 0.02 -0.04 8 6 0.02 0.04 -0.15 0.04 0.01 -0.08 -0.19 0.04 0.02 9 6 0.22 -0.01 -0.14 -0.06 0.09 0.06 -0.12 0.06 0.06 10 1 0.18 -0.04 -0.03 -0.13 0.09 0.17 0.44 -0.19 -0.03 11 1 -0.03 0.01 -0.02 0.16 -0.20 0.00 0.01 -0.13 0.04 12 1 -0.06 0.08 -0.12 -0.05 0.10 -0.08 -0.19 0.08 -0.01 13 1 0.53 -0.05 -0.24 -0.31 0.23 0.18 -0.09 0.12 0.07 14 6 -0.14 -0.02 -0.08 -0.03 0.12 0.04 -0.04 0.08 0.03 15 1 -0.15 -0.02 -0.14 0.23 0.25 0.18 0.13 0.16 0.16 16 1 -0.14 -0.10 -0.01 -0.30 0.27 0.06 -0.22 0.20 0.03 17 6 0.12 0.03 0.09 0.09 -0.15 0.03 0.08 0.04 0.10 18 1 0.30 -0.17 0.10 0.19 -0.29 0.05 0.20 -0.22 0.21 19 1 0.12 0.22 0.31 0.07 -0.02 0.19 0.22 0.31 0.18 10 11 12 A A A Frequencies -- 464.8177 485.4618 503.1950 Red. masses -- 8.0946 3.2236 3.3258 Frc consts -- 1.0304 0.4476 0.4962 IR Inten -- 13.3364 5.2631 1.1443 Atom AN X Y Z X Y Z X Y Z 1 16 0.26 -0.12 -0.11 -0.05 -0.01 0.02 0.08 -0.01 0.01 2 8 -0.19 -0.04 0.05 0.03 -0.01 0.02 -0.06 -0.01 0.01 3 8 0.09 0.11 0.05 0.09 -0.10 -0.08 0.02 0.02 0.07 4 6 0.07 0.13 0.03 -0.02 0.14 -0.01 0.07 -0.14 -0.09 5 6 -0.02 0.14 0.04 0.07 0.04 -0.09 -0.01 -0.04 0.02 6 6 -0.23 0.05 -0.07 -0.08 -0.06 0.09 -0.12 -0.07 0.21 7 6 -0.11 -0.10 0.00 -0.16 -0.12 0.20 -0.01 0.08 0.01 8 6 -0.10 -0.02 0.17 0.05 0.04 -0.05 0.06 0.02 -0.16 9 6 0.01 0.03 0.16 0.07 0.07 -0.01 -0.15 0.04 -0.10 10 1 0.36 0.01 -0.17 -0.28 0.24 0.08 0.10 -0.14 -0.04 11 1 0.15 0.01 0.04 0.04 0.01 -0.05 0.01 0.08 -0.08 12 1 -0.19 0.13 0.10 0.12 0.09 -0.13 0.06 -0.07 -0.08 13 1 0.21 -0.15 0.05 -0.11 0.11 0.04 -0.32 0.19 0.00 14 6 -0.24 0.07 -0.13 0.00 0.02 -0.02 0.02 0.02 -0.01 15 1 -0.32 0.01 -0.06 -0.17 -0.14 0.26 0.11 0.12 -0.21 16 1 -0.16 0.13 -0.24 0.25 0.29 -0.42 0.08 0.03 -0.05 17 6 0.02 -0.07 -0.01 0.05 -0.03 -0.03 -0.02 0.09 0.00 18 1 0.12 -0.13 -0.04 0.28 0.04 -0.28 0.28 0.25 -0.37 19 1 0.06 0.01 0.03 0.04 -0.02 0.01 -0.33 -0.06 0.35 13 14 15 A A A Frequencies -- 603.0588 618.3266 628.7244 Red. masses -- 5.3982 5.5643 4.2934 Frc consts -- 1.1567 1.2534 0.9999 IR Inten -- 16.8066 44.8338 24.9578 Atom AN X Y Z X Y Z X Y Z 1 16 -0.14 -0.03 -0.06 0.13 0.05 0.08 0.01 0.08 0.08 2 8 0.07 0.00 0.01 -0.04 0.02 -0.02 0.04 0.03 -0.06 3 8 0.00 0.04 0.28 -0.16 -0.15 -0.15 -0.05 -0.18 -0.13 4 6 0.14 0.10 -0.15 -0.08 0.13 -0.10 0.16 -0.02 -0.01 5 6 -0.09 0.09 -0.05 -0.18 -0.09 -0.10 -0.03 0.09 0.00 6 6 0.01 0.02 0.01 0.01 -0.11 0.08 -0.10 0.15 -0.02 7 6 0.15 -0.13 0.00 0.08 -0.05 0.00 0.11 -0.01 0.00 8 6 0.10 0.05 0.07 -0.04 0.16 0.21 0.13 -0.12 0.00 9 6 -0.14 0.15 0.00 -0.04 0.15 -0.12 -0.06 -0.08 0.17 10 1 0.58 -0.05 -0.28 0.34 0.01 -0.01 0.05 0.00 -0.11 11 1 0.02 0.12 -0.13 -0.34 -0.06 -0.03 -0.20 0.04 0.14 12 1 0.08 0.10 0.03 -0.17 0.16 0.30 0.14 -0.09 -0.02 13 1 -0.12 -0.01 -0.07 0.24 -0.13 -0.30 -0.40 0.01 0.30 14 6 0.01 -0.02 0.00 0.08 -0.05 0.03 -0.15 0.04 -0.07 15 1 -0.10 -0.08 -0.04 0.16 0.03 -0.15 -0.28 0.02 -0.32 16 1 0.13 -0.07 -0.02 0.08 -0.12 0.10 -0.04 -0.16 0.06 17 6 0.06 -0.20 -0.03 0.04 -0.08 0.01 0.00 -0.05 -0.02 18 1 0.04 -0.10 -0.10 0.08 -0.09 -0.03 -0.07 0.18 -0.14 19 1 -0.05 -0.36 -0.01 -0.02 -0.11 0.10 -0.17 -0.30 -0.02 16 17 18 A A A Frequencies -- 709.1315 713.8379 745.7167 Red. masses -- 1.5040 1.6013 1.7592 Frc consts -- 0.4456 0.4807 0.5764 IR Inten -- 7.8152 18.3056 0.4414 Atom AN X Y Z X Y Z X Y Z 1 16 0.04 0.00 0.00 0.03 0.02 0.02 -0.01 0.00 -0.01 2 8 -0.02 0.00 0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 3 8 -0.09 -0.01 0.06 -0.05 0.00 -0.02 -0.07 0.00 0.04 4 6 0.09 -0.04 -0.04 -0.04 -0.04 0.06 0.02 -0.03 0.00 5 6 -0.03 -0.03 -0.02 -0.02 0.05 0.05 0.02 -0.07 -0.06 6 6 0.00 0.00 -0.02 0.06 0.05 -0.01 0.02 -0.03 -0.10 7 6 -0.02 0.00 0.04 -0.01 -0.02 -0.03 0.05 0.06 -0.03 8 6 0.05 0.02 -0.02 -0.03 -0.03 -0.12 0.04 0.03 0.13 9 6 0.01 0.03 -0.05 -0.07 0.01 0.03 0.03 -0.04 0.02 10 1 -0.18 0.07 0.13 0.37 -0.19 -0.11 -0.12 0.03 0.08 11 1 -0.05 -0.02 -0.02 -0.09 0.08 0.07 0.05 -0.14 -0.04 12 1 0.04 0.01 0.00 -0.04 -0.01 -0.13 0.01 -0.01 0.18 13 1 -0.35 0.17 0.09 0.29 0.01 -0.06 -0.11 -0.08 0.04 14 6 -0.01 0.00 -0.01 0.05 -0.01 0.03 -0.04 -0.01 -0.03 15 1 -0.14 -0.11 0.15 -0.26 -0.28 0.42 -0.18 -0.19 0.39 16 1 0.12 0.11 -0.19 0.37 0.21 -0.36 0.08 0.28 -0.37 17 6 0.00 0.02 0.01 0.00 -0.04 -0.01 -0.01 0.07 0.02 18 1 -0.34 -0.13 0.41 0.04 -0.06 -0.03 0.24 0.20 -0.28 19 1 0.35 0.18 -0.41 -0.01 -0.03 0.01 -0.30 -0.05 0.37 19 20 21 A A A Frequencies -- 763.5570 778.6733 834.7132 Red. masses -- 2.5479 3.1497 2.6429 Frc consts -- 0.8752 1.1252 1.0849 IR Inten -- 7.5182 9.8264 34.0144 Atom AN X Y Z X Y Z X Y Z 1 16 -0.04 0.00 0.01 0.01 0.00 0.01 0.02 0.01 0.01 2 8 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.01 3 8 0.13 0.03 -0.06 0.03 0.05 -0.02 -0.12 -0.03 0.06 4 6 -0.08 0.00 0.04 -0.06 -0.06 0.05 -0.02 0.15 -0.06 5 6 -0.02 -0.08 -0.02 -0.07 -0.14 -0.03 0.08 0.05 -0.06 6 6 -0.14 -0.09 0.10 0.07 0.06 -0.19 -0.01 -0.14 -0.01 7 6 0.15 0.08 -0.06 -0.07 -0.03 0.25 -0.08 0.04 0.00 8 6 0.09 -0.01 0.05 0.14 0.01 -0.03 0.11 -0.07 -0.05 9 6 -0.04 0.02 0.02 -0.09 0.08 -0.03 -0.05 -0.07 0.13 10 1 0.25 -0.11 0.01 0.46 -0.22 0.10 0.29 0.00 -0.39 11 1 0.11 -0.13 -0.06 0.07 -0.18 -0.08 0.07 -0.06 0.03 12 1 0.20 -0.06 0.01 0.26 -0.10 -0.02 0.24 -0.03 -0.17 13 1 0.28 -0.15 -0.12 0.18 0.02 -0.12 0.15 -0.34 -0.02 14 6 -0.08 0.01 -0.05 -0.06 0.00 -0.04 0.04 -0.05 -0.01 15 1 -0.13 -0.03 0.01 -0.04 0.02 -0.02 0.39 0.15 0.07 16 1 0.13 0.22 -0.36 -0.32 -0.14 0.24 -0.28 0.09 0.04 17 6 0.01 0.05 0.03 0.01 0.05 0.03 -0.04 0.09 0.00 18 1 -0.41 0.01 0.40 0.05 0.31 -0.20 -0.02 -0.06 0.11 19 1 0.13 0.02 -0.21 0.05 -0.09 -0.19 0.10 0.30 -0.02 22 23 24 A A A Frequencies -- 911.2373 920.6293 923.1352 Red. masses -- 2.8671 1.6120 1.3857 Frc consts -- 1.4027 0.8050 0.6958 IR Inten -- 46.4866 48.1524 50.8637 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 2 8 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 3 8 -0.14 -0.04 0.03 0.04 0.02 -0.01 0.00 0.00 0.00 4 6 -0.05 -0.04 0.04 0.02 0.02 -0.01 0.00 0.00 0.00 5 6 0.29 0.02 -0.06 -0.11 -0.01 0.01 0.00 -0.01 0.00 6 6 -0.04 0.03 0.01 0.03 0.00 -0.03 0.03 0.03 -0.05 7 6 0.04 -0.02 0.07 -0.06 -0.02 0.05 0.00 0.00 0.00 8 6 -0.08 0.03 -0.02 0.01 -0.02 -0.01 0.00 -0.01 0.00 9 6 -0.03 0.04 -0.05 0.01 -0.01 0.02 0.00 0.00 0.00 10 1 0.05 -0.08 0.04 0.01 0.02 -0.01 0.01 0.00 0.00 11 1 0.29 -0.01 -0.04 -0.11 -0.01 0.01 0.00 -0.02 0.01 12 1 -0.09 -0.02 0.03 0.04 0.00 -0.04 -0.01 -0.01 0.01 13 1 0.29 0.12 -0.11 -0.12 -0.02 0.05 0.00 0.01 0.00 14 6 -0.07 0.03 0.00 0.00 -0.03 0.04 -0.08 -0.07 0.12 15 1 -0.05 0.09 -0.25 0.13 0.06 -0.05 0.34 0.33 -0.52 16 1 0.00 -0.02 0.00 0.06 0.08 -0.10 0.33 0.29 -0.46 17 6 0.12 0.00 -0.04 0.09 0.06 -0.13 -0.02 -0.01 0.03 18 1 -0.40 0.12 0.29 -0.35 -0.22 0.45 0.10 0.06 -0.13 19 1 -0.27 -0.43 0.14 -0.43 -0.10 0.55 0.10 0.03 -0.12 25 26 27 A A A Frequencies -- 951.5255 957.5455 969.1252 Red. masses -- 1.4567 1.9129 3.2680 Frc consts -- 0.7771 1.0334 1.8084 IR Inten -- 0.5509 5.6283 2.9936 Atom AN X Y Z X Y Z X Y Z 1 16 -0.01 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 0.00 2 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 8 -0.01 0.00 -0.01 0.01 0.00 -0.02 0.01 -0.03 -0.06 4 6 -0.12 0.00 0.05 0.00 0.09 -0.04 -0.01 -0.13 -0.04 5 6 0.04 0.02 0.01 -0.01 0.03 0.16 0.10 0.11 0.24 6 6 -0.01 0.01 0.01 -0.01 -0.05 -0.04 0.00 0.01 -0.04 7 6 -0.02 -0.01 -0.02 0.06 0.02 0.03 -0.05 -0.03 -0.01 8 6 0.04 0.05 0.03 -0.08 -0.08 -0.03 0.17 0.14 0.10 9 6 0.09 -0.05 -0.05 0.03 0.03 -0.09 -0.11 0.02 -0.10 10 1 0.59 -0.26 -0.18 0.08 0.05 -0.20 -0.31 -0.04 -0.13 11 1 0.04 0.06 -0.02 -0.05 -0.11 0.30 -0.02 0.16 0.29 12 1 0.01 0.06 0.06 -0.12 -0.20 0.08 0.17 0.03 0.20 13 1 -0.61 0.20 0.22 -0.24 0.18 0.03 0.18 -0.19 -0.25 14 6 -0.01 0.01 0.00 -0.01 -0.06 -0.05 -0.05 -0.03 -0.04 15 1 -0.04 0.00 -0.05 0.24 0.02 0.30 0.14 0.05 0.14 16 1 0.03 -0.03 0.02 -0.32 0.22 -0.14 -0.23 0.16 -0.12 17 6 -0.02 -0.01 -0.02 0.05 0.01 0.06 -0.03 -0.05 -0.07 18 1 0.05 -0.12 0.01 -0.15 0.37 -0.05 0.11 -0.36 0.06 19 1 0.02 0.10 0.04 -0.04 -0.32 -0.16 0.04 0.24 0.14 28 29 30 A A A Frequencies -- 1002.3964 1037.5031 1148.3191 Red. masses -- 2.0050 1.7633 1.2621 Frc consts -- 1.1870 1.1183 0.9805 IR Inten -- 5.6111 3.8346 8.9918 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.01 0.00 0.01 -0.01 0.00 0.01 -0.03 0.02 2 8 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.06 -0.03 3 8 -0.01 0.01 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 4 6 0.01 0.12 -0.07 -0.02 0.00 -0.06 0.01 0.02 0.00 5 6 0.07 -0.14 0.11 -0.01 -0.07 0.06 0.02 0.00 0.03 6 6 0.01 0.05 0.01 0.01 0.00 -0.01 0.00 0.02 0.01 7 6 -0.04 0.00 -0.02 0.01 -0.01 0.02 0.00 0.01 -0.02 8 6 0.01 -0.10 0.01 -0.02 0.18 -0.05 -0.08 -0.02 0.03 9 6 -0.02 0.03 -0.07 -0.01 -0.11 0.05 0.00 0.00 -0.05 10 1 0.06 0.12 -0.09 -0.14 -0.01 -0.37 0.16 0.04 0.48 11 1 0.15 -0.46 0.31 0.05 -0.23 0.15 -0.02 0.13 -0.05 12 1 0.02 -0.26 0.11 -0.02 0.54 -0.34 0.54 0.04 -0.45 13 1 -0.06 -0.14 -0.13 -0.13 -0.34 0.00 -0.22 -0.37 -0.13 14 6 -0.01 0.09 0.04 0.00 0.03 0.02 -0.01 -0.01 -0.01 15 1 -0.38 -0.09 -0.19 -0.12 -0.03 -0.05 0.03 0.00 0.04 16 1 0.35 -0.18 0.09 0.12 -0.04 0.01 -0.06 0.04 -0.03 17 6 -0.04 0.01 -0.03 0.05 -0.01 0.04 0.00 -0.02 0.00 18 1 0.09 -0.17 0.00 -0.10 0.20 0.00 0.03 -0.03 -0.02 19 1 -0.01 0.19 0.11 0.00 -0.23 -0.12 -0.02 -0.04 0.01 31 32 33 A A A Frequencies -- 1156.3561 1175.9786 1221.0621 Red. masses -- 1.2911 4.9735 2.4128 Frc consts -- 1.0172 4.0524 2.1196 IR Inten -- 10.3240 149.3426 3.3929 Atom AN X Y Z X Y Z X Y Z 1 16 0.01 -0.03 0.02 0.02 0.20 -0.08 0.00 -0.01 0.00 2 8 0.00 0.07 -0.03 -0.01 -0.36 0.17 0.00 0.01 0.00 3 8 0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 4 6 -0.01 -0.03 -0.01 0.00 -0.01 -0.01 0.00 0.03 -0.02 5 6 -0.02 0.00 -0.01 0.00 0.00 0.00 0.01 -0.08 -0.03 6 6 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 0.16 0.09 7 6 0.05 0.01 0.03 0.06 0.01 0.03 0.17 0.01 0.13 8 6 -0.07 0.02 0.04 -0.10 0.00 0.03 -0.05 0.02 -0.08 9 6 0.02 0.01 0.01 0.01 0.00 -0.01 0.00 -0.04 0.02 10 1 -0.18 -0.04 -0.48 -0.02 -0.01 -0.01 0.04 0.03 0.06 11 1 0.05 -0.13 0.05 -0.13 0.00 0.08 0.15 -0.26 0.03 12 1 0.52 -0.17 -0.22 0.69 -0.05 -0.47 -0.33 0.17 -0.01 13 1 0.19 0.50 0.14 -0.01 0.06 0.02 0.00 -0.03 0.02 14 6 -0.01 0.01 0.00 -0.02 -0.01 -0.01 -0.02 -0.08 -0.07 15 1 -0.05 -0.01 -0.04 -0.01 0.00 0.00 0.23 0.03 0.18 16 1 0.02 -0.02 0.01 -0.05 0.03 -0.03 -0.38 0.20 -0.13 17 6 -0.02 -0.01 -0.02 -0.03 -0.02 -0.02 -0.08 -0.03 -0.08 18 1 0.08 -0.13 -0.01 0.11 -0.14 -0.04 0.20 -0.44 0.01 19 1 0.00 0.08 0.05 -0.01 0.07 0.06 0.03 0.32 0.14 34 35 36 A A A Frequencies -- 1277.2746 1310.6545 1315.5082 Red. masses -- 2.5924 1.3485 1.6579 Frc consts -- 2.4919 1.3648 1.6904 IR Inten -- 1.6960 2.8160 0.4315 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 2 8 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 3 8 0.00 -0.01 -0.01 -0.02 -0.03 -0.02 0.00 0.00 0.00 4 6 0.04 -0.01 0.06 0.00 -0.03 -0.01 0.01 0.01 0.03 5 6 -0.06 0.19 -0.02 -0.07 0.07 0.01 -0.03 -0.02 -0.04 6 6 0.00 -0.18 -0.09 -0.03 0.04 0.01 -0.03 0.11 0.05 7 6 0.12 0.00 0.10 -0.03 -0.01 -0.03 -0.09 0.04 -0.06 8 6 -0.06 0.10 -0.10 0.03 -0.06 0.06 -0.01 0.11 -0.03 9 6 -0.03 -0.06 -0.02 -0.01 0.02 -0.03 0.00 -0.03 0.03 10 1 0.07 0.02 0.32 0.00 -0.02 0.08 -0.02 0.00 -0.07 11 1 0.31 -0.39 0.23 0.75 -0.40 -0.11 0.21 -0.23 -0.02 12 1 -0.02 -0.34 0.23 -0.03 0.31 -0.20 0.31 -0.63 0.35 13 1 -0.17 -0.30 -0.07 0.03 0.13 0.00 -0.06 -0.18 0.00 14 6 -0.01 0.05 0.03 0.04 -0.02 0.01 0.03 -0.04 0.00 15 1 -0.15 -0.01 -0.14 0.17 0.03 0.13 0.20 0.03 0.14 16 1 0.21 -0.13 0.07 0.10 -0.06 0.03 -0.05 0.03 -0.01 17 6 -0.03 0.02 -0.02 0.01 0.01 0.01 0.04 -0.06 0.01 18 1 0.06 -0.11 0.01 -0.04 0.10 -0.01 0.02 -0.07 0.01 19 1 0.02 0.17 0.07 0.00 0.00 0.01 -0.02 -0.31 -0.15 37 38 39 A A A Frequencies -- 1321.5101 1396.3769 1463.8827 Red. masses -- 1.2882 1.7287 1.2120 Frc consts -- 1.3254 1.9860 1.5302 IR Inten -- 0.5723 5.8250 8.9347 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 8 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 8 0.03 0.02 0.02 0.00 0.00 0.01 0.00 0.00 0.00 4 6 -0.02 -0.03 0.00 0.02 -0.07 0.15 0.00 -0.01 0.00 5 6 0.03 0.05 -0.10 0.00 0.02 -0.07 -0.02 0.03 -0.01 6 6 -0.02 0.03 0.02 -0.01 0.01 0.01 0.07 -0.04 0.03 7 6 -0.03 0.00 -0.03 0.01 -0.01 0.01 -0.04 0.08 0.01 8 6 0.03 -0.01 0.03 -0.01 -0.07 0.01 0.02 -0.03 0.01 9 6 -0.02 -0.03 -0.03 0.04 0.15 -0.04 0.00 0.01 -0.01 10 1 0.07 -0.03 0.21 -0.23 -0.10 -0.60 0.00 -0.01 0.01 11 1 -0.47 -0.48 0.63 -0.11 -0.12 0.09 0.10 -0.09 0.02 12 1 0.01 0.14 -0.07 -0.05 0.07 -0.09 -0.06 0.11 -0.05 13 1 0.08 0.16 0.01 -0.30 -0.56 -0.21 0.00 0.01 0.00 14 6 0.02 -0.01 0.00 0.00 -0.01 0.00 0.02 0.00 0.01 15 1 0.09 0.02 0.04 0.04 0.01 0.01 -0.35 -0.13 -0.33 16 1 -0.01 -0.02 0.02 -0.02 0.00 0.01 -0.36 0.29 -0.06 17 6 0.01 0.00 0.01 -0.01 0.01 0.00 0.00 0.02 0.01 18 1 -0.02 0.04 0.00 -0.01 0.01 -0.01 0.27 -0.39 0.08 19 1 0.00 -0.04 -0.02 0.00 0.06 0.03 -0.11 -0.41 -0.25 40 41 42 A A A Frequencies -- 1489.6923 1680.9481 1702.5988 Red. masses -- 1.2397 5.7848 5.0376 Frc consts -- 1.6209 9.6305 8.6039 IR Inten -- 8.0974 1.4215 3.0770 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 8 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 4 6 0.00 0.00 0.00 0.20 0.22 0.35 0.00 -0.01 -0.01 5 6 0.02 -0.01 0.01 -0.02 -0.05 -0.04 0.02 -0.02 0.01 6 6 -0.07 -0.02 -0.06 -0.02 0.02 0.00 -0.21 -0.01 -0.15 7 6 0.01 0.09 0.05 -0.01 0.00 -0.01 -0.04 0.36 0.11 8 6 0.01 -0.03 0.00 0.03 0.02 0.05 0.01 -0.04 0.01 9 6 0.00 0.01 0.00 -0.22 -0.29 -0.28 0.01 0.00 0.00 10 1 0.00 0.00 -0.01 -0.02 0.26 -0.36 0.00 -0.01 0.01 11 1 -0.10 0.10 -0.01 -0.03 0.19 -0.23 -0.07 0.07 -0.01 12 1 -0.08 0.10 -0.04 0.05 0.25 -0.14 -0.09 0.11 -0.03 13 1 0.00 0.00 0.00 0.11 0.39 -0.19 0.00 0.00 0.01 14 6 -0.02 0.01 0.00 0.02 -0.01 0.01 0.19 -0.03 0.11 15 1 0.31 0.14 0.30 0.01 -0.01 -0.01 -0.17 -0.21 -0.21 16 1 0.41 -0.32 0.08 -0.01 0.02 0.00 -0.11 0.24 0.05 17 6 -0.01 0.02 0.00 0.00 0.00 0.00 0.06 -0.31 -0.07 18 1 0.28 -0.42 0.08 0.01 0.00 0.00 -0.33 0.19 -0.19 19 1 -0.11 -0.37 -0.23 -0.01 -0.03 -0.01 0.26 0.28 0.30 43 44 45 A A A Frequencies -- 1726.1648 3139.4723 3144.7430 Red. masses -- 5.4069 1.0891 1.0882 Frc consts -- 9.4922 6.3247 6.3404 IR Inten -- 0.7408 17.2269 3.7028 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 8 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.01 0.01 0.02 0.00 0.01 0.00 0.00 0.00 0.00 5 6 -0.04 0.02 -0.02 -0.03 -0.05 -0.06 0.00 0.01 0.01 6 6 0.34 -0.11 0.17 0.00 0.00 0.00 0.00 0.00 0.00 7 6 -0.10 0.25 0.03 0.00 0.00 0.00 0.00 0.00 0.00 8 6 0.01 -0.03 0.00 -0.01 -0.01 -0.01 -0.04 -0.05 -0.06 9 6 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 10 1 0.00 0.01 -0.02 -0.02 -0.06 0.01 0.00 0.00 0.00 11 1 0.12 -0.12 -0.01 0.42 0.56 0.69 -0.05 -0.07 -0.09 12 1 -0.07 0.09 -0.04 0.06 0.07 0.09 0.47 0.54 0.68 13 1 0.00 0.02 -0.01 -0.01 0.01 -0.02 -0.02 0.03 -0.08 14 6 -0.29 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.14 0.29 0.27 -0.01 0.03 0.01 0.00 -0.01 0.00 16 1 0.22 -0.38 -0.08 -0.02 -0.03 -0.03 0.00 0.01 0.01 17 6 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 18 1 -0.23 0.16 -0.15 0.00 0.00 0.00 -0.02 -0.02 -0.03 19 1 0.16 0.11 0.20 0.00 0.00 0.00 0.02 -0.01 0.01 46 47 48 A A A Frequencies -- 3170.7377 3176.3842 3203.6231 Red. masses -- 1.0598 1.0591 1.0872 Frc consts -- 6.2779 6.2959 6.5744 IR Inten -- 5.1176 5.7485 4.6945 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 8 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 -0.01 -0.04 0.01 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 8 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.07 10 1 0.00 -0.01 0.00 0.00 0.00 0.00 0.16 0.49 -0.07 11 1 0.02 0.03 0.04 -0.01 -0.01 -0.01 0.02 0.02 0.03 12 1 0.00 0.00 0.00 0.02 0.02 0.03 0.04 0.05 0.06 13 1 0.00 0.00 0.00 0.00 0.00 -0.01 0.20 -0.28 0.78 14 6 -0.06 0.01 -0.03 0.01 0.00 0.01 0.00 0.00 0.00 15 1 0.35 -0.57 -0.13 -0.08 0.13 0.03 0.00 0.00 0.00 16 1 0.26 0.44 0.46 -0.06 -0.11 -0.12 0.00 0.00 0.00 17 6 0.00 -0.02 0.00 0.01 -0.06 -0.01 0.00 0.00 0.00 18 1 0.08 0.08 0.10 0.38 0.34 0.45 0.00 0.00 0.00 19 1 -0.13 0.08 -0.08 -0.52 0.33 -0.32 0.00 0.00 0.00 49 50 51 A A A Frequencies -- 3226.3857 3248.7791 3255.6539 Red. masses -- 1.1014 1.1166 1.1168 Frc consts -- 6.7551 6.9434 6.9740 IR Inten -- 14.0726 7.6053 5.7369 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 -0.03 -0.07 0.01 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 6 0.01 -0.01 0.05 0.00 0.00 0.00 0.00 0.00 0.00 10 1 0.26 0.80 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 11 1 0.02 0.03 0.04 0.00 0.01 0.01 0.00 0.00 0.00 12 1 -0.02 -0.02 -0.02 0.00 0.00 0.00 -0.01 0.00 -0.01 13 1 -0.12 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 14 6 0.00 0.00 0.00 0.01 -0.08 -0.05 0.00 -0.02 -0.01 15 1 0.00 0.00 0.00 -0.36 0.58 0.12 -0.08 0.13 0.03 16 1 0.00 0.00 0.00 0.27 0.43 0.46 0.05 0.09 0.09 17 6 0.00 0.00 0.00 -0.02 0.00 -0.01 0.07 0.00 0.06 18 1 0.00 0.00 0.00 0.08 0.08 0.10 -0.37 -0.36 -0.46 19 1 0.00 0.00 0.00 0.10 -0.07 0.06 -0.51 0.34 -0.31 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 16 and mass 31.97207 Atom 2 has atomic number 8 and mass 15.99491 Atom 3 has atomic number 8 and mass 15.99491 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 6 and mass 12.00000 Atom 8 has atomic number 6 and mass 12.00000 Atom 9 has atomic number 6 and mass 12.00000 Atom 10 has atomic number 1 and mass 1.00783 Atom 11 has atomic number 1 and mass 1.00783 Atom 12 has atomic number 1 and mass 1.00783 Atom 13 has atomic number 1 and mass 1.00783 Atom 14 has atomic number 6 and mass 12.00000 Atom 15 has atomic number 1 and mass 1.00783 Atom 16 has atomic number 1 and mass 1.00783 Atom 17 has atomic number 6 and mass 12.00000 Atom 18 has atomic number 1 and mass 1.00783 Atom 19 has atomic number 1 and mass 1.00783 Molecular mass: 168.02450 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 1330.092271618.673501918.73655 X 0.99686 -0.05150 0.06020 Y 0.04997 0.99840 0.02662 Z -0.06147 -0.02353 0.99783 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.06512 0.05351 0.04514 Rotational constants (GHZ): 1.35685 1.11495 0.94059 Zero-point vibrational energy 376065.2 (Joules/Mol) 89.88173 (Kcal/Mol) Warning -- explicit consideration of 14 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 84.16 167.46 260.23 374.05 453.10 (Kelvin) 466.12 501.35 562.12 582.71 668.77 698.47 723.98 867.67 889.63 904.59 1020.28 1027.05 1072.92 1098.59 1120.34 1200.96 1311.07 1324.58 1328.18 1369.03 1377.69 1394.35 1442.22 1492.73 1652.17 1663.74 1691.97 1756.83 1837.71 1885.74 1892.72 1901.36 2009.07 2106.20 2143.33 2418.51 2449.66 2483.56 4516.99 4524.58 4561.98 4570.10 4609.29 4642.04 4674.26 4684.15 Zero-point correction= 0.143236 (Hartree/Particle) Thermal correction to Energy= 0.152640 Thermal correction to Enthalpy= 0.153585 Thermal correction to Gibbs Free Energy= 0.108660 Sum of electronic and zero-point Energies= -858.031158 Sum of electronic and thermal Energies= -858.021754 Sum of electronic and thermal Enthalpies= -858.020810 Sum of electronic and thermal Free Energies= -858.065734 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 95.783 37.740 94.552 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 41.265 Rotational 0.889 2.981 29.803 Vibrational 94.006 31.779 23.484 Vibration 1 0.596 1.974 4.507 Vibration 2 0.608 1.936 3.159 Vibration 3 0.630 1.866 2.319 Vibration 4 0.668 1.746 1.662 Vibration 5 0.702 1.645 1.336 Vibration 6 0.709 1.627 1.290 Vibration 7 0.726 1.578 1.173 Vibration 8 0.758 1.490 0.998 Vibration 9 0.770 1.459 0.944 Vibration 10 0.822 1.328 0.752 Vibration 11 0.842 1.282 0.695 Vibration 12 0.859 1.243 0.650 Vibration 13 0.961 1.025 0.444 Vibration 14 0.978 0.993 0.419 Q Log10(Q) Ln(Q) Total Bot 0.104740D-49 -49.979887 -115.082942 Total V=0 0.801313D+16 15.903802 36.619858 Vib (Bot) 0.168161D-63 -63.774276 -146.845696 Vib (Bot) 1 0.353086D+01 0.547881 1.261542 Vib (Bot) 2 0.175723D+01 0.244829 0.563738 Vib (Bot) 3 0.111016D+01 0.045386 0.104504 Vib (Bot) 4 0.747127D+00 -0.126606 -0.291521 Vib (Bot) 5 0.598722D+00 -0.222775 -0.512958 Vib (Bot) 6 0.578861D+00 -0.237426 -0.546693 Vib (Bot) 7 0.530013D+00 -0.275714 -0.634855 Vib (Bot) 8 0.459295D+00 -0.337908 -0.778062 Vib (Bot) 9 0.438464D+00 -0.358066 -0.824477 Vib (Bot) 10 0.364463D+00 -0.438347 -1.009331 Vib (Bot) 11 0.342893D+00 -0.464842 -1.070338 Vib (Bot) 12 0.325692D+00 -0.487193 -1.121804 Vib (Bot) 13 0.246825D+00 -0.607611 -1.399077 Vib (Bot) 14 0.236928D+00 -0.625384 -1.439999 Vib (V=0) 0.128651D+03 2.109414 4.857105 Vib (V=0) 1 0.406609D+01 0.609177 1.402681 Vib (V=0) 2 0.232698D+01 0.366793 0.844571 Vib (V=0) 3 0.171756D+01 0.234912 0.540905 Vib (V=0) 4 0.139900D+01 0.145817 0.335757 Vib (V=0) 5 0.128004D+01 0.107225 0.246894 Vib (V=0) 6 0.126491D+01 0.102058 0.234997 Vib (V=0) 7 0.122864D+01 0.089424 0.205906 Vib (V=0) 8 0.117893D+01 0.071490 0.164611 Vib (V=0) 9 0.116502D+01 0.066333 0.152738 Vib (V=0) 10 0.111874D+01 0.048727 0.112199 Vib (V=0) 11 0.110628D+01 0.043865 0.101003 Vib (V=0) 12 0.109672D+01 0.040096 0.092324 Vib (V=0) 13 0.105760D+01 0.024323 0.056006 Vib (V=0) 14 0.105329D+01 0.022550 0.051923 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.856080D+08 7.932514 18.265289 Rotational 0.727570D+06 5.861875 13.497465 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 -0.000001014 -0.000014770 0.000059142 2 8 -0.000002586 0.000038484 -0.000010196 3 8 -0.000037435 -0.000041010 -0.000013994 4 6 -0.000004597 -0.000003143 0.000005028 5 6 0.000032662 0.000014253 -0.000024943 6 6 0.000003935 0.000010331 0.000024458 7 6 -0.000027525 0.000006137 -0.000014219 8 6 0.000039672 -0.000015443 -0.000025512 9 6 0.000001261 0.000010124 0.000000719 10 1 0.000004062 -0.000000324 0.000000955 11 1 -0.000006483 0.000001695 -0.000002706 12 1 0.000000082 0.000004440 -0.000000508 13 1 -0.000003621 -0.000004319 -0.000001909 14 6 0.000000226 -0.000012190 0.000003277 15 1 -0.000002982 -0.000001220 0.000002003 16 1 -0.000003472 0.000006774 -0.000002184 17 6 0.000009682 -0.000005730 -0.000003382 18 1 -0.000004660 0.000002793 0.000001941 19 1 0.000002792 0.000003119 0.000002030 ------------------------------------------------------------------- Cartesian Forces: Max 0.000059142 RMS 0.000016424 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000039236 RMS 0.000007813 Search for a local minimum. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- 0.00231 0.00697 0.00965 0.01143 0.01326 Eigenvalues --- 0.02159 0.02294 0.02671 0.02803 0.03329 Eigenvalues --- 0.03652 0.03728 0.04262 0.04515 0.05516 Eigenvalues --- 0.06293 0.07320 0.08896 0.09812 0.10619 Eigenvalues --- 0.10801 0.11047 0.11227 0.11470 0.11972 Eigenvalues --- 0.12893 0.13149 0.15986 0.16347 0.16419 Eigenvalues --- 0.17874 0.18919 0.20109 0.21497 0.24809 Eigenvalues --- 0.26241 0.26566 0.31137 0.32022 0.34941 Eigenvalues --- 0.34997 0.36279 0.36307 0.36487 0.36543 Eigenvalues --- 0.36670 0.36869 0.53916 0.55624 0.60993 Eigenvalues --- 0.62542 Angle between quadratic step and forces= 69.56 degrees. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00057214 RMS(Int)= 0.00000009 Iteration 2 RMS(Cart)= 0.00000015 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.80603 0.00004 0.00000 0.00007 0.00007 2.80610 R2 3.21257 0.00004 0.00000 0.00034 0.00034 3.21291 R3 3.68676 -0.00003 0.00000 -0.00052 -0.00052 3.68625 R4 2.78591 -0.00002 0.00000 -0.00027 -0.00027 2.78564 R5 2.85292 0.00001 0.00000 0.00010 0.00010 2.85302 R6 2.53126 0.00000 0.00000 -0.00001 -0.00001 2.53126 R7 2.05074 0.00000 0.00000 0.00000 0.00000 2.05074 R8 2.86991 0.00001 0.00000 0.00006 0.00006 2.86997 R9 2.06083 0.00000 0.00000 0.00002 0.00002 2.06084 R10 2.80162 -0.00001 0.00000 -0.00009 -0.00009 2.80153 R11 2.52822 0.00000 0.00000 0.00000 0.00000 2.52823 R12 2.85359 0.00002 0.00000 0.00010 0.00010 2.85369 R13 2.53084 0.00000 0.00000 -0.00001 -0.00001 2.53083 R14 2.82437 0.00000 0.00000 0.00004 0.00004 2.82441 R15 2.06140 0.00000 0.00000 0.00001 0.00001 2.06141 R16 2.05212 0.00000 0.00000 0.00000 0.00000 2.05212 R17 2.05256 0.00000 0.00000 0.00001 0.00001 2.05257 R18 2.05249 0.00000 0.00000 0.00000 0.00000 2.05249 R19 2.05133 0.00000 0.00000 0.00000 0.00000 2.05133 R20 2.05192 0.00000 0.00000 0.00000 0.00000 2.05192 A1 1.92326 0.00000 0.00000 -0.00001 -0.00001 1.92325 A2 1.84170 -0.00001 0.00000 0.00000 0.00000 1.84170 A3 1.62669 0.00000 0.00000 0.00003 0.00003 1.62672 A4 2.06263 -0.00001 0.00000 -0.00008 -0.00008 2.06256 A5 1.99027 0.00000 0.00000 -0.00001 -0.00001 1.99025 A6 2.11925 0.00000 0.00000 0.00004 0.00004 2.11929 A7 2.17334 0.00000 0.00000 -0.00002 -0.00002 2.17332 A8 1.89173 0.00000 0.00000 0.00005 0.00005 1.89178 A9 1.91918 0.00001 0.00000 0.00023 0.00023 1.91941 A10 1.81860 0.00000 0.00000 0.00009 0.00009 1.81869 A11 1.89337 -0.00001 0.00000 -0.00025 -0.00025 1.89312 A12 1.98377 0.00000 0.00000 -0.00001 -0.00001 1.98376 A13 1.95493 0.00000 0.00000 -0.00008 -0.00008 1.95486 A14 1.93743 0.00001 0.00000 0.00001 0.00001 1.93744 A15 2.12817 0.00000 0.00000 0.00001 0.00001 2.12818 A16 2.21732 0.00000 0.00000 -0.00002 -0.00002 2.21730 A17 1.94960 0.00000 0.00000 -0.00004 -0.00004 1.94956 A18 2.20298 0.00000 0.00000 0.00002 0.00002 2.20300 A19 2.12717 0.00000 0.00000 0.00000 0.00000 2.12717 A20 1.79636 0.00001 0.00000 0.00007 0.00007 1.79643 A21 1.87272 0.00000 0.00000 0.00004 0.00004 1.87276 A22 1.83834 0.00000 0.00000 -0.00002 -0.00002 1.83833 A23 1.95273 0.00000 0.00000 -0.00001 -0.00001 1.95271 A24 1.97299 0.00000 0.00000 -0.00007 -0.00007 1.97292 A25 2.01033 0.00000 0.00000 0.00001 0.00001 2.01034 A26 2.00966 0.00000 0.00000 -0.00002 -0.00002 2.00964 A27 2.16540 -0.00001 0.00000 -0.00004 -0.00004 2.16536 A28 2.10781 0.00000 0.00000 0.00005 0.00005 2.10786 A29 2.13241 0.00000 0.00000 -0.00004 -0.00004 2.13236 A30 2.11672 0.00001 0.00000 0.00008 0.00008 2.11680 A31 2.03406 -0.00001 0.00000 -0.00003 -0.00003 2.03403 A32 2.11828 0.00000 0.00000 0.00005 0.00005 2.11833 A33 2.12977 0.00000 0.00000 -0.00001 -0.00001 2.12977 A34 2.03509 -0.00001 0.00000 -0.00004 -0.00004 2.03504 D1 -1.81373 0.00001 0.00000 -0.00020 -0.00020 -1.81393 D2 0.06821 0.00000 0.00000 -0.00019 -0.00019 0.06803 D3 0.83576 0.00000 0.00000 0.00011 0.00011 0.83587 D4 2.89809 0.00000 0.00000 0.00015 0.00015 2.89824 D5 -1.23493 0.00000 0.00000 0.00017 0.00017 -1.23476 D6 -1.11876 0.00000 0.00000 0.00011 0.00011 -1.11865 D7 0.94358 0.00000 0.00000 0.00015 0.00015 0.94372 D8 3.09373 0.00000 0.00000 0.00017 0.00017 3.09390 D9 -1.06107 0.00000 0.00000 0.00016 0.00016 -1.06091 D10 1.00599 -0.00001 0.00000 0.00002 0.00002 1.00602 D11 3.10405 0.00000 0.00000 0.00010 0.00010 3.10415 D12 1.10757 0.00000 0.00000 0.00003 0.00003 1.10760 D13 -0.97580 0.00000 0.00000 -0.00013 -0.00013 -0.97593 D14 3.12048 0.00000 0.00000 0.00017 0.00017 3.12065 D15 -2.00768 0.00000 0.00000 -0.00004 -0.00004 -2.00772 D16 2.19214 0.00000 0.00000 -0.00020 -0.00020 2.19194 D17 0.00523 0.00000 0.00000 0.00010 0.00010 0.00533 D18 0.03679 0.00000 0.00000 -0.00009 -0.00009 0.03669 D19 -3.07788 0.00000 0.00000 -0.00015 -0.00015 -3.07803 D20 -3.13209 0.00000 0.00000 -0.00002 -0.00002 -3.13211 D21 0.03643 0.00000 0.00000 -0.00007 -0.00007 0.03636 D22 -1.07968 0.00000 0.00000 0.00048 0.00048 -1.07920 D23 2.08500 0.00000 0.00000 0.00078 0.00078 2.08579 D24 0.98638 0.00000 0.00000 0.00052 0.00052 0.98690 D25 -2.13212 0.00000 0.00000 0.00082 0.00082 -2.13130 D26 -3.09305 0.00000 0.00000 0.00027 0.00027 -3.09279 D27 0.07163 0.00000 0.00000 0.00057 0.00057 0.07220 D28 -0.10937 0.00000 0.00000 -0.00058 -0.00058 -0.10995 D29 2.94403 0.00000 0.00000 -0.00088 -0.00088 2.94315 D30 3.00767 0.00000 0.00000 -0.00090 -0.00090 3.00677 D31 -0.22212 0.00000 0.00000 -0.00120 -0.00120 -0.22332 D32 3.09063 0.00000 0.00000 -0.00044 -0.00044 3.09019 D33 -0.05098 0.00000 0.00000 -0.00046 -0.00046 -0.05145 D34 -0.02396 0.00000 0.00000 -0.00009 -0.00009 -0.02404 D35 3.11762 0.00000 0.00000 -0.00011 -0.00011 3.11751 D36 1.19383 0.00000 0.00000 0.00037 0.00037 1.19420 D37 -0.81146 0.00000 0.00000 0.00029 0.00029 -0.81117 D38 -3.11535 0.00000 0.00000 0.00036 0.00036 -3.11500 D39 -1.86399 0.00000 0.00000 0.00066 0.00066 -1.86333 D40 2.41391 0.00000 0.00000 0.00058 0.00058 2.41449 D41 0.11002 0.00000 0.00000 0.00064 0.00064 0.11066 D42 -3.10055 0.00000 0.00000 -0.00004 -0.00004 -3.10059 D43 0.03094 0.00000 0.00000 -0.00002 -0.00002 0.03092 D44 -0.05548 0.00000 0.00000 -0.00037 -0.00037 -0.05585 D45 3.07601 0.00000 0.00000 -0.00035 -0.00035 3.07566 D46 -1.07564 0.00000 0.00000 -0.00001 -0.00001 -1.07565 D47 2.04000 0.00000 0.00000 0.00004 0.00004 2.04004 D48 0.88229 0.00000 0.00000 0.00009 0.00009 0.88238 D49 -2.28526 0.00000 0.00000 0.00014 0.00014 -2.28512 D50 -3.11591 0.00000 0.00000 -0.00002 -0.00002 -3.11593 D51 -0.00028 0.00000 0.00000 0.00003 0.00003 -0.00024 Item Value Threshold Converged? Maximum Force 0.000039 0.000450 YES RMS Force 0.000008 0.000300 YES Maximum Displacement 0.002147 0.001800 NO RMS Displacement 0.000572 0.001200 YES Predicted change in Energy=-4.159323D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-280|Freq|RB3LYP|6-31G(d)|C8H8O2S1|MDF14|16- Nov-2016|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3 1G(d) Freq||Title Card Required||0,1|S,1.6677912465,0.1451652688,-0.19 38469033|O,1.6882559469,1.5422769448,-0.6963932545|O,0.6955171391,-0.8 247478957,-1.1958514143|C,-0.4899349819,-1.9887979177,0.5638233158|C,- 0.6463027646,-1.1986885388,-0.7130752533|C,-1.4550932435,0.0505397465, -0.4102522324|C,-0.816886077,0.8496450335,0.663097849|C,0.3695733765,0 .1331299851,1.2624143882|C,0.0599365893,-1.2963220733,1.5699759466|H,- 0.7824902234,-3.0321493158,0.6229989701|H,-1.0752043944,-1.7741918656, -1.5341237594|H,0.8403795692,0.6908915649,2.0730830996|H,0.2991985872, -1.7201276204,2.540749483|C,-2.601224593,0.3225780359,-1.0445206488|H, -3.2064346143,1.1903983552,-0.798807075|H,-2.9735832417,-0.3202350047, -1.8368748404|C,-1.144838966,2.0975022855,1.0221522436|H,-0.5979647629 ,2.6245126827,1.7977405749|H,-1.9605755919,2.6369033291,0.5502955103|| Version=EM64W-G09RevD.01|State=1-A|HF=-858.1743941|RMSD=5.712e-009|RMS F=1.642e-005|ZeroPoint=0.1432357|Thermal=0.1526403|Dipole=-0.9196256,- 0.8436225,1.0399551|DipoleDeriv=1.0697753,0.3999546,0.0679996,0.838896 8,1.1586501,-0.2465699,-0.1308033,-0.0736276,0.7819557,-0.4510742,-0.0 003954,-0.041777,-0.6317759,-0.879174,0.3574588,0.2290365,0.2712561,-0 .4570894,-0.998954,-0.3676193,-0.0708173,-0.1431181,-0.6188156,-0.0320 689,-0.0436159,-0.1540846,-0.5278956,-0.2510739,0.0742014,-0.0411931,0 .0305879,0.0253112,0.015372,0.0273205,-0.0518615,-0.0593936,0.6537438, 0.1193216,-0.0489835,-0.0709361,0.2870378,-0.0481428,-0.1736148,-0.060 02,0.3723278,0.0239883,-0.0550109,0.0185722,0.0283557,0.0799051,0.0564 283,0.0043944,0.0681582,-0.0277605,0.1364313,-0.0936373,0.0839889,-0.1 055686,-0.0450558,-0.0143607,0.1859462,-0.0338144,-0.033638,-0.0891063 ,-0.0314379,0.1355276,0.012567,-0.0325566,0.0869965,0.0764508,0.121019 8,0.000601,-0.1927124,0.0814105,0.0692069,0.1381287,0.1249355,-0.12484 98,0.0594292,-0.0594962,0.0340876,0.1175783,-0.0512273,-0.0099256,-0.0 434127,-0.0691788,0.0276876,-0.0338493,0.0301867,0.0550075,-0.0440519, -0.0859209,-0.0700756,-0.0256548,-0.0082383,-0.0434533,-0.0165841,-0.0 435473,-0.0370384,0.0182287,-0.010585,-0.015183,-0.039526,-0.0066868,- 0.0558156,-0.0479864,-0.0274825,-0.0223566,0.1209019,-0.0051901,-0.045 6336,-0.0175208,0.0052114,0.069636,-0.048504,0.0759355,-0.0434245,-0.1 507583,-0.1039156,0.0208241,-0.0633746,-0.0540086,0.1505185,0.0617815, 0.1010665,-0.1140871,0.0311378,0.0632188,-0.0320373,0.0976662,-0.00583 63,-0.051255,0.0054606,-0.082798,0.0779293,0.0648104,0.0124491,-0.0283 414,-0.0222362,0.0161907,-0.0986591,-0.0686364,-0.0686013,0.0144735,-0 .1107971,0.0086903,0.1735039,-0.0446287,-0.0546142,0.0064267,0.0815053 ,0.031828,-0.0900471,0.039795,-0.0353053,-0.081707,0.004136,0.0441106, -0.0299549,-0.0647044,-0.06137,0.001084,0.0121373,0.0809989,-0.0839487 ,0.0574143,0.0328127,-0.0253943,-0.1030266,0.0172526,0.0752644|Polar=1 03.1386851,1.3663797,108.2189767,14.2549097,9.6178683,90.6310319|PG=C0 1 [X(C8H8O2S1)]|NImag=0||0.27634046,0.01733650,0.59125094,0.03155185,- 0.12385608,0.21431790,-0.06126669,0.02691729,-0.01479009,0.04276315,0. 00023212,-0.47433540,0.16767886,0.01338570,0.48887985,0.00067453,0.160 24426,-0.09954755,-0.00610712,-0.17208450,0.09651851,-0.08562949,-0.03 328199,-0.02992944,0.01043481,-0.01162733,0.00066799,0.23540432,-0.014 13208,-0.06123679,-0.02807632,-0.01792214,-0.00640023,-0.01161270,0.07 345370,0.12351524,-0.01534768,-0.03944350,-0.07463968,0.00551475,0.002 62706,0.00683419,-0.03881393,0.04343513,0.17836646,0.00506788,-0.00022 563,-0.00261057,-0.00070302,-0.00029214,-0.00044108,-0.00836584,-0.019 62179,0.02837011,0.25965544,0.00015122,-0.00295695,-0.00198286,-0.0005 3608,-0.00102010,-0.00004640,-0.01217932,-0.00287563,0.01347457,0.2015 8507,0.70963614,0.00262164,-0.00068748,-0.00970052,-0.00047191,0.00115 119,0.00058482,0.02443103,0.01958259,-0.01735491,0.17232596,0.08211776 ,0.60037406,-0.03478911,-0.02677040,-0.03420731,0.00213341,0.00575736, 0.00537114,-0.09174587,-0.01246176,0.03540000,-0.06429467,0.00211515,- 0.02575388,0.36823377,-0.01895714,-0.00818183,-0.00742228,-0.00067590, -0.00349175,-0.00012773,-0.00725191,-0.05164674,-0.00833872,-0.0018228 1,-0.12568424,0.03879035,0.02046807,0.49138799,-0.01972653,0.00458584, 0.01151513,0.00213180,-0.00397073,0.00051099,0.02337481,-0.01371885,-0 .08330637,-0.02232599,0.04732668,-0.16311100,0.11698485,0.11634754,0.5 7669487,0.00114529,0.00303350,0.00120760,-0.00007295,0.00027931,0.0006 6772,-0.04472433,0.01680355,0.01407029,-0.00250926,0.01084771,-0.00556 619,-0.09055102,0.04190049,-0.00380143,0.66844461,0.00199642,0.0042434 3,0.00126625,0.00109142,-0.00123318,0.00063311,-0.00394851,0.00749055, -0.00191739,0.01266081,-0.02074407,0.01132028,0.04533356,-0.15413690,- 0.03225821,-0.14137928,0.42113587,0.00172068,-0.00074971,-0.00100454,- 0.00045015,-0.00074705,0.00041562,0.01130661,-0.00508242,0.00003930,-0 .01321155,0.02178986,0.00654377,-0.00331953,-0.02459660,-0.08801840,0. 26792864,0.07505059,0.42384004,-0.03981506,0.01366844,0.01941751,0.003 40843,0.00182496,-0.00320249,-0.00138007,-0.00341239,-0.00447952,-0.00 098968,-0.00266325,-0.00242109,0.01447944,0.00531168,0.01403563,-0.108 55322,-0.02265241,-0.05116458,0.39071262,0.01250981,-0.00124086,-0.012 29368,-0.00151182,-0.00080247,0.00222593,0.00138858,0.00416487,0.00260 612,0.00013746,-0.00122061,-0.00103480,-0.00951350,-0.02578904,-0.0210 9990,-0.00598549,-0.12312076,-0.04365307,-0.15069067,0.74079739,0.0250 3258,-0.01009489,0.00173344,-0.00215867,0.00197311,0.00110655,-0.00597 258,-0.00040473,0.00170435,-0.00304164,-0.00165349,-0.00499137,0.00244 184,-0.01595860,-0.00375514,-0.03903432,-0.05850727,-0.13946451,0.1056 0841,0.18904374,0.35640761,-0.05636241,-0.00051244,0.01091379,0.004895 70,-0.00252704,-0.00279624,0.01137688,-0.00193542,-0.01487031,-0.00414 556,-0.02102027,-0.00281159,-0.00563777,0.00162489,0.00340083,-0.01677 987,0.00258805,-0.01625799,-0.13063827,0.03036309,-0.04044179,0.350307 50,0.01277652,-0.03945568,-0.02466186,-0.01758050,-0.00561700,0.022384 85,0.01012538,0.00085303,-0.00739413,-0.01780664,-0.02985413,-0.018688 03,-0.00297257,-0.00865549,0.00412502,-0.01064627,0.01263794,0.0000748 8,0.03379696,-0.09967907,0.00136307,0.05705663,0.52331171,-0.01882167, 0.00431563,-0.01966919,0.01031710,-0.00052092,-0.00447791,-0.00031236, -0.01291320,-0.02099617,0.00057834,-0.02103055,0.01947835,0.00507089,0 .00315992,-0.00978763,-0.02445861,0.00897780,-0.01282924,-0.05724763,0 .01702538,-0.09042793,0.18479431,0.08433298,0.43522623,-0.00732986,-0. 01553940,0.00628265,-0.00220375,-0.00157615,0.00521766,0.00205083,-0.0 0280853,0.00188860,-0.13359395,-0.10526936,-0.14950740,-0.00249369,0.0 0276193,-0.01014353,-0.00013698,-0.00063268,-0.00345821,0.00819252,0.0 2401465,-0.00279855,-0.06849214,-0.03256528,-0.01201188,0.26040212,-0. 01079667,-0.00028738,0.02630256,0.00019188,0.00114269,-0.00217823,-0.0 1473869,-0.00936195,-0.00218471,-0.09736702,-0.21948620,-0.14787948,0. 01394239,0.02523315,-0.00015115,-0.00115372,-0.00108709,-0.00129408,0. 00755091,-0.02503574,0.01769420,-0.02349792,-0.19595282,0.00958532,0.1 2557613,0.54577384,0.00251594,0.01537317,-0.00612861,0.00398712,0.0014 2864,-0.00361383,-0.00485869,-0.00074638,0.00130686,-0.14663546,-0.158 98990,-0.34125018,-0.01279781,-0.00669083,-0.03843952,0.00038430,-0.00 100948,-0.00362007,0.00373380,0.00916041,-0.00100167,-0.01009413,0.038 29256,-0.09715972,0.23139583,0.01271831,0.75795504,-0.00025250,0.00141 420,0.00077109,0.00055117,-0.00020240,-0.00073957,-0.00214513,0.000617 95,0.00067338,-0.05649006,-0.08034343,-0.00239401,0.00524920,0.0041219 0,-0.00199329,0.00016833,0.00091585,0.00006858,-0.00070851,-0.00117586 ,0.00040170,0.00767447,-0.00216272,-0.00586900,0.00246320,-0.01299967, 0.00222160,0.04868113,0.00084802,0.00002411,-0.00019228,-0.00019238,-0 .00004373,0.00025328,-0.00024286,-0.00072727,0.00055998,-0.08199510,-0 .32370727,0.01687195,-0.00309869,-0.00667749,-0.00297639,-0.00011229,- 0.00000715,0.00138907,0.00012952,0.00096675,0.00004552,-0.00383689,0.0 0102540,-0.00173521,-0.00291947,-0.00952092,0.00414447,0.08925559,0.33 846712,-0.00061652,-0.00144540,-0.00254459,-0.00017259,0.00006609,0.00 068870,0.00434885,0.00220207,-0.00178604,-0.00139741,0.02034534,-0.056 20339,0.00364178,0.02265328,0.00485084,0.00016759,0.00008665,-0.003339 21,-0.00044775,0.00038389,-0.00046058,-0.00488328,-0.00076784,-0.00241 857,-0.00649478,-0.02438362,0.00724893,0.00412740,-0.01785857,0.051450 47,-0.00272976,0.00281580,0.00120848,0.00022020,-0.00190555,0.00077457 ,-0.02687304,-0.02292500,-0.01809654,0.00073267,-0.00128996,-0.0030602 0,-0.08285375,-0.05050519,-0.07993784,0.00866853,0.00850345,0.01282166 ,-0.00229268,0.00381275,-0.00055050,0.00003743,-0.00004489,0.00051320, 0.00112235,0.00012810,-0.00056487,-0.00001992,0.00022883,0.00036788,0. 10261641,0.00007182,0.00136515,0.00109178,0.00000439,-0.00044998,0.000 08708,-0.00945926,-0.00488333,-0.00441711,0.00859245,0.01245653,0.0154 6020,-0.05261815,-0.12657187,-0.11022644,-0.00963339,-0.01422791,-0.02 120432,0.00418592,-0.00305444,-0.00016430,0.00007529,-0.00025155,0.000 27054,0.00022360,-0.00287274,0.00335805,-0.00020398,0.00073180,-0.0008 9607,0.06030718,0.13594684,0.00328355,0.00066641,0.00077622,-0.0000508 2,0.00083552,-0.00014922,0.00686197,0.00747644,0.01092837,-0.00937067, -0.01539135,-0.01696370,-0.08255756,-0.11220635,-0.21314605,-0.0027422 9,-0.00156124,-0.00290476,0.00027606,-0.00082612,0.00115584,0.00046563 ,0.00054686,-0.00018782,-0.00054890,0.00422826,-0.00398493,0.00034690, 0.00014390,0.00093031,0.08441097,0.11601946,0.22373956,0.00835218,0.00 905628,0.01083257,-0.00035255,-0.00066339,-0.00097950,-0.00128090,0.00 171846,0.00581687,0.00122223,-0.00157368,0.00036977,-0.00228601,-0.000 18045,0.00054438,-0.00303380,0.00414118,-0.00175458,-0.00974371,-0.013 64227,-0.01994608,-0.09503578,-0.05955065,-0.08924183,-0.00271939,-0.0 0132617,-0.00436031,0.00017987,-0.00020440,-0.00042296,0.00013663,-0.0 0004223,-0.00011383,0.10406363,0.00034898,-0.00113133,0.00015471,0.000 00812,0.00051917,-0.00023040,0.00034200,0.00102709,0.00046824,-0.00132 632,-0.00584986,0.00296738,0.00016879,-0.00071105,0.00092874,0.0031910 8,-0.00149170,0.00080690,0.00607443,0.00881320,0.01228331,-0.06203929, -0.12328798,-0.10493892,-0.01129348,-0.01223211,-0.02493034,-0.0009035 2,-0.00051284,-0.00123117,0.00004798,0.00011946,-0.00011020,0.06425362 ,0.13206041,-0.00759104,-0.00977528,-0.01209284,0.00052191,0.00231942, 0.00125171,0.00220488,-0.00140429,-0.00353797,-0.00002169,0.00233054,- 0.00030701,0.00125997,0.00102279,0.00010835,-0.00197632,0.00104192,0.0 0079320,-0.00350468,-0.00630127,-0.00777620,-0.09654139,-0.10692185,-0 .20370225,0.00509289,0.00600424,0.00964386,0.00016260,0.00038601,0.000 52309,0.00004525,-0.00006665,0.00002666,0.09887011,0.11222148,0.213749 42,-0.00114814,-0.00053364,0.00142697,-0.00030123,-0.00048508,0.000353 98,0.00059504,0.00155715,-0.00138060,0.00344871,0.00747849,-0.01034010 ,0.00761561,-0.00542556,-0.00418321,0.00009544,-0.00051455,0.00116229, -0.00158804,-0.00051697,-0.00018085,0.00630845,-0.00165229,0.00444419, -0.05335155,0.01603119,-0.06414846,-0.00521739,0.00176444,0.00226234,- 0.00020191,0.00048852,-0.00062433,-0.00006902,0.00051754,0.00021945,0. 04322240,0.00103453,-0.00227167,-0.00150541,-0.00087358,-0.00071979,0. 00100473,0.00102261,0.00064218,0.00057357,-0.00393676,0.01200079,-0.01 701925,-0.00454198,-0.00149000,-0.00086227,0.00009206,-0.00023920,-0.0 0093805,-0.00286488,-0.00214800,0.00060999,0.00637935,-0.00772571,0.02 378693,0.01893391,-0.09813547,0.10530441,0.00197842,0.00027834,-0.0000 0566,0.00005834,0.00062581,-0.00085811,0.00026247,0.00124622,-0.000724 16,-0.01857717,0.09821024,-0.00037227,-0.00002560,-0.00003549,0.000184 76,0.00007866,-0.00017636,0.00037559,-0.00031445,0.00117717,-0.0041369 2,0.01163880,-0.01613394,-0.00555149,-0.00292806,-0.00039673,0.0004354 8,-0.00028668,-0.00021099,0.00073919,0.00005328,0.00041140,-0.00141481 ,-0.00138603,0.00082368,-0.06325199,0.10256435,-0.28279824,0.00222719, -0.00088517,0.00030706,0.00007095,0.00087644,-0.00089247,0.00026324,0. 00020545,0.00063154,0.07074256,-0.10979059,0.29736147,-0.00080125,0.00 050499,-0.00044806,0.00045893,-0.00036122,0.00012162,0.00132993,0.0009 5016,-0.00027086,0.00011760,0.00083696,0.00161124,-0.01877792,0.010708 95,-0.00871089,-0.40649567,0.09634555,-0.18813137,-0.01170174,-0.01200 586,-0.02087807,0.00041288,-0.00059875,0.00003539,0.00078740,-0.000508 03,0.00030776,-0.00042542,0.00027540,-0.00038225,0.00053529,-0.0018800 1,-0.00007690,0.00003460,0.00012882,0.00004595,0.00025585,-0.00000957, -0.00026655,0.65467326,-0.00112208,-0.00236929,-0.00123205,-0.00014688 ,0.00099794,-0.00039703,0.00505962,-0.00005511,-0.00034988,0.00245671, -0.00169458,-0.00191420,0.02485976,-0.00658765,0.01392403,0.09045120,- 0.11210830,0.01736566,-0.01548430,0.01065631,-0.00616202,-0.00094594,- 0.00362339,-0.00398293,-0.00008326,-0.00078340,0.00067078,-0.00019622, -0.00031185,0.00082412,0.00048405,0.00095653,0.00110398,-0.00118746,0. 00070798,-0.00055813,-0.00020819,0.00033410,0.00018398,-0.18373668,0.5 0283145,-0.00180892,-0.00093382,-0.00232237,0.00059851,0.00001305,0.00 034501,0.00633961,-0.00007261,-0.00006790,0.00060019,-0.00125733,-0.00 102191,0.00007641,0.00121604,0.00940895,-0.19182351,0.02058633,-0.1753 2718,-0.02492109,-0.00500269,-0.01457238,-0.00189203,-0.00327911,-0.00 222996,0.00008312,-0.00046092,0.00075307,-0.00001604,-0.00018886,0.000 61692,0.00137706,-0.00015592,0.00027084,-0.00099487,0.00055091,-0.0002 3683,0.00013429,0.00013863,0.00002005,0.26326331,0.18204313,0.44387645 ,0.00043057,0.00019169,0.00005760,-0.00010088,-0.00032827,0.00015550,0 .00038851,-0.00087573,-0.00004228,-0.00089347,0.00120281,0.00094500,0. 00047816,0.00296344,-0.00732894,-0.01084171,0.02368948,0.00831027,-0.0 0099489,-0.00170489,0.00288542,0.00002418,0.00011892,0.00007194,0.0001 0593,0.00012566,-0.00024565,-0.00005925,0.00018364,-0.00039903,0.00005 488,-0.00015202,0.00012103,0.00003429,-0.00005722,-0.00001010,0.000062 27,-0.00013368,-0.00006692,-0.13812806,0.13009932,0.02750721,0.1413261 1,-0.00060170,-0.00072249,-0.00052766,-0.00001808,0.00008894,0.0000016 1,0.00299744,-0.00067114,0.00008501,-0.00063060,0.00069655,0.00032220, 0.00190217,0.00533042,-0.00372221,0.00451925,-0.00208524,-0.00060410,- 0.00243496,-0.00287269,0.00140270,0.00010741,0.00015252,0.00018198,-0. 00010024,0.00000804,-0.00004450,-0.00000609,0.00007062,-0.00010544,-0. 00017133,0.00025401,0.00002963,0.00004711,-0.00000926,0.00005621,0.000 11273,-0.00005928,-0.00001270,0.13163342,-0.23409415,-0.06245693,-0.14 595062,0.24324714,0.00069114,0.00058054,0.00074532,-0.00002127,0.00006 226,-0.00007725,-0.00356722,0.00115294,0.00039871,0.00104800,-0.000569 33,-0.00002511,-0.00454556,-0.00566639,0.00389601,-0.00964819,0.013984 40,0.00689908,0.00318436,0.00226648,-0.00263302,0.00005967,0.00011576, 0.00003068,0.00008530,-0.00027560,0.00012917,0.00007754,-0.00005924,0. 00005943,-0.00003139,0.00038397,0.00024225,0.00002267,0.00001163,-0.00 000065,-0.00010055,0.00007737,0.00004701,0.02993425,-0.06359778,-0.063 73681,-0.02824588,0.06887532,0.05526764,0.00022540,0.00003008,-0.00029 480,0.00001207,-0.00000349,0.00007637,-0.00083081,0.00063202,0.0003819 4,0.00057563,-0.00010386,-0.00000924,-0.00086102,-0.00449385,0.0017636 2,-0.00695449,-0.01651082,-0.02237588,0.00004631,0.00550318,-0.0033825 0,-0.00068948,-0.00085382,-0.00112690,-0.00001582,-0.00040061,0.000230 24,0.00002700,-0.00004195,0.00009382,-0.00001159,0.00100689,0.00044307 ,-0.00046915,0.00022437,-0.00014223,0.00000583,0.00007186,0.00005082,- 0.08128153,-0.04760467,-0.07613086,0.00816664,0.00977610,0.01193664,0. 08209303,0.00021591,0.00044142,0.00019518,0.00000811,-0.00014930,0.000 06345,-0.00162802,0.00016585,0.00010371,0.00057340,-0.00032659,-0.0000 7699,-0.00066232,-0.00175128,0.00401716,0.00354349,0.00720783,0.003817 68,0.00421381,0.00299684,-0.00281394,-0.00000056,0.00023585,0.00011729 ,0.00002094,-0.00012955,0.00006013,0.00006583,-0.00005063,0.00007384,- 0.00004200,0.00034319,-0.00006355,-0.00002375,0.00002440,0.00007013,-0 .00005158,0.00003658,0.00002625,-0.05043847,-0.15316139,-0.13563562,-0 .00869646,-0.00996535,-0.01641581,0.05301015,0.15403582,-0.00010585,-0 .00043695,-0.00023892,-0.00009166,0.00004830,-0.00002340,0.00174271,-0 .00026057,0.00028704,-0.00037380,0.00064142,0.00018545,0.00310052,0.00 222853,-0.00343994,-0.00506134,-0.01021509,-0.00647860,-0.00513141,-0. 00193672,0.00484074,0.00007951,-0.00087174,-0.00027774,0.00002885,0.00 007931,0.00007792,-0.00009593,0.00013287,-0.00013688,-0.00041129,0.000 61493,0.00038333,-0.00009707,0.00011567,-0.00009515,0.00002565,0.00001 497,-0.00001066,-0.07905709,-0.13404237,-0.19665440,-0.00279956,-0.002 48208,-0.00139689,0.08805400,0.14581055,0.20355708,-0.00267721,0.00167 556,-0.00104396,0.00027381,-0.00117648,-0.00026714,0.00166274,0.000480 56,0.00090886,0.00112488,0.00069276,0.00013391,-0.00392680,-0.00091301 ,-0.00424871,0.01206176,-0.01301367,-0.00088000,-0.11355310,0.10966057 ,0.00034989,-0.00639119,0.03005123,0.00325413,-0.00398300,-0.00122025, -0.00112149,0.00020560,0.00000895,0.00017554,0.00089493,-0.00100730,-0 .00026716,0.00046965,0.00050577,0.00130494,0.00022343,0.00097151,-0.00 002145,-0.00120477,-0.00220660,-0.00264974,-0.00063239,-0.00087319,-0. 00020840,-0.00005893,0.00025817,-0.00016702,0.44845151,-0.00284624,-0. 00223236,0.00512781,-0.00188522,0.00204602,-0.00043413,0.00016813,-0.0 0022911,-0.00024855,-0.00063647,0.00044030,-0.00105911,-0.00093221,0.0 0012216,-0.00113128,-0.00949551,-0.02060641,-0.02190322,0.11444892,-0. 46135181,-0.11997764,0.01942709,-0.02205194,-0.00283912,0.00069795,0.0 0226749,0.00149680,-0.00023047,-0.00000045,0.00005999,0.00024395,-0.00 006747,0.00005831,-0.00193451,0.00077815,-0.00043387,0.00002955,-0.000 40520,-0.00000655,0.00725443,-0.00094739,0.00477291,0.00066000,0.00057 982,-0.00017673,0.00025139,-0.00041270,0.00055492,-0.17028366,0.743153 70,-0.00245358,0.00242492,-0.00118101,0.00107281,-0.00180528,-0.000234 12,0.00106063,0.00032238,0.00064437,0.00055166,0.00116669,-0.00019121, -0.00414483,-0.00137059,-0.00385744,0.00002965,-0.02635251,-0.00797743 ,0.00451993,-0.12267931,-0.10775546,-0.00644620,0.01396695,0.00692399, -0.00248694,0.00018305,0.00014544,0.00004266,-0.00007220,0.00020192,0. 00090677,-0.00103386,-0.00020761,0.00044208,0.00107484,0.00043490,0.00 024196,0.00039098,-0.00015081,0.00257459,-0.00328579,0.00113572,-0.000 48634,-0.00029333,0.00007981,0.00024986,0.00045644,-0.00038484,0.22823 507,0.18493151,0.40851244,-0.00115924,0.00111447,0.00014023,0.00048718 ,-0.00033718,-0.00006366,0.00022421,0.00006027,-0.00012113,0.00009500, -0.00014502,0.00031113,-0.00025894,0.00022139,0.00011040,0.00430527,0. 00355960,-0.00356758,0.00730015,0.00525657,0.00493407,-0.00238995,-0.0 0090229,0.00395811,0.00039084,-0.00064959,0.00003008,-0.00000368,-0.00 002309,-0.00001273,0.00000376,-0.00004449,0.00007483,0.00033741,0.0000 7814,-0.00007302,0.00001902,-0.00015586,0.00000341,-0.00033895,0.00035 402,0.00043240,0.00036432,0.00001963,0.00019667,-0.00000599,-0.0002935 3,0.00018569,-0.12308083,-0.06499642,-0.11875925,0.12101931,-0.0006180 9,0.00015019,-0.00045361,0.00016924,-0.00001645,0.00017926,0.00041586, 0.00026768,0.00032309,0.00013818,0.00024195,0.00001876,-0.00152683,-0. 00049164,-0.00136467,0.00559386,-0.00199422,-0.00147532,-0.01524327,-0 .01207590,-0.02271686,-0.00371809,0.00020281,0.00059799,0.00021368,-0. 00041291,0.00028770,0.00001850,0.00000844,0.00006299,0.00034549,-0.000 45732,-0.00009144,0.00093131,-0.00012137,0.00065713,0.00002451,-0.0000 8048,0.00000801,0.00037258,-0.00005273,0.00035286,-0.00027995,0.000127 92,0.00006479,-0.00025015,0.00005203,-0.00002044,-0.06234948,-0.117926 63,-0.10232809,0.06793455,0.12289890,0.00098860,-0.00182733,-0.0002290 1,-0.00059915,0.00096863,0.00025519,0.00036884,0.00022729,0.00023945,- 0.00006809,0.00024145,-0.00028628,-0.00032940,-0.00003826,0.00009900,- 0.00399638,-0.00297953,0.00527785,-0.00589148,-0.00303416,-0.00218068, 0.00334898,0.00316265,-0.00282119,-0.00053743,0.00061128,0.00024623,0. 00006383,-0.00001223,0.00003680,0.00009259,0.00001196,-0.00001892,0.00 034412,-0.00038105,0.00036516,-0.00000157,0.00013285,0.00000237,0.0003 2723,-0.00018636,-0.00036120,0.00013889,0.00002869,-0.00004279,0.00010 038,0.00012127,-0.00020196,-0.11626459,-0.10549632,-0.19237222,0.12706 083,0.11517520,0.19717196,0.00239894,-0.00089529,-0.00048610,-0.000637 81,0.00000626,0.00051575,-0.00049178,-0.00017900,0.00039804,-0.0000545 1,0.00021408,-0.00041407,0.00028699,0.00014306,0.00005404,-0.00423592, -0.00217346,0.00125269,-0.00218050,0.00410068,-0.00326835,0.00552493,0 .00341103,-0.00394773,-0.00119508,0.00111211,0.00002021,0.00012188,-0. 00002726,0.00004412,-0.00004042,0.00008476,0.00006845,0.00015982,-0.00 026983,0.00013251,0.00002523,0.00028845,-0.00001078,0.00054958,-0.0008 4243,-0.00017507,0.00021479,-0.00032845,-0.00086779,0.00002688,-0.0000 7312,0.00017509,-0.20986010,0.11005930,-0.10515055,-0.00730891,0.00782 810,-0.00514619,0.21669598,0.00155214,-0.00105324,0.00038694,-0.000433 58,0.00060477,0.00003357,-0.00061543,-0.00003918,0.00003749,-0.0004828 2,-0.00005203,-0.00024333,0.00055117,-0.00020673,0.00022709,-0.0018495 6,0.00036650,0.00195331,0.02424062,-0.01000396,0.01403811,0.00241206,- 0.00226452,-0.00439092,0.00034506,0.00087307,0.00011601,0.00003612,-0. 00001300,-0.00006449,-0.00009202,0.00003728,-0.00000041,-0.00008147,0. 00005141,0.00007563,-0.00003909,-0.00009945,0.00000060,0.00052731,-0.0 0069507,-0.00023005,-0.00105611,-0.00007640,-0.00081457,-0.00024281,0. 00040698,0.00002448,0.10873854,-0.12315616,0.05430323,-0.01105116,0.00 967974,-0.00672603,-0.12245899,0.12564001,-0.00223645,0.00108529,0.000 24631,0.00058468,-0.00012230,-0.00021165,0.00037072,0.00020769,-0.0002 3722,0.00016060,-0.00015191,0.00037408,-0.00014003,-0.00007404,0.00017 407,0.00321731,0.00214007,-0.00263394,0.00689682,-0.00490351,0.0076590 1,-0.00461295,-0.00439500,0.00450241,0.00116470,-0.00116312,0.00049026 ,-0.00007663,0.00005312,-0.00002521,0.00006323,-0.00000974,0.00000209, 0.00040524,0.00003283,0.00022103,-0.00005400,-0.00033091,0.00002392,0. 00000070,-0.00040714,0.00010393,-0.00056816,-0.00073441,0.00011737,0.0 0008165,0.00007281,0.00000782,-0.10722267,0.05670427,-0.10376646,-0.01 484048,0.01072265,-0.00517973,0.11680572,-0.05872664,0.09813190||0.000 00101,0.00001477,-0.00005914,0.00000259,-0.00003848,0.00001020,0.00003 744,0.00004101,0.00001399,0.00000460,0.00000314,-0.00000503,-0.0000326 6,-0.00001425,0.00002494,-0.00000394,-0.00001033,-0.00002446,0.0000275 2,-0.00000614,0.00001422,-0.00003967,0.00001544,0.00002551,-0.00000126 ,-0.00001012,-0.00000072,-0.00000406,0.00000032,-0.00000095,0.00000648 ,-0.00000170,0.00000271,-0.00000008,-0.00000444,0.00000051,0.00000362, 0.00000432,0.00000191,-0.00000023,0.00001219,-0.00000328,0.00000298,0. 00000122,-0.00000200,0.00000347,-0.00000677,0.00000218,-0.00000968,0.0 0000573,0.00000338,0.00000466,-0.00000279,-0.00000194,-0.00000279,-0.0 0000312,-0.00000203|||@ HOW IS IT THAT THE SKY FEEDS THE STARS? -- LUCRETIUS Job cpu time: 0 days 0 hours 8 minutes 57.0 seconds. File lengths (MBytes): RWF= 86 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Wed Nov 16 12:16:26 2016.