Entering Gaussian System, Link 0=/share/apps/gaussian/g09/g09 Initial command: /share/apps/gaussian/g09/l1.exe "/scratch/webmo-13362/265156/Gau-28370.inp" -scrdir="/scratch/webmo-13362/265156/" Entering Link 1 = /share/apps/gaussian/g09/l1.exe PID= 28371. 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: EM64L-G09RevD.01 24-Apr-2013 1-Jun-2018 ****************************************** %NProcShared=12 Will use up to 12 processors via shared memory. --------------------------------------------------------------- #N MP2/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity --------------------------------------------------------------- 1/38=1,57=2/1; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,16=1,24=10,25=1,30=1/1,2,3; 4//1; 5/5=2,38=5/2; 8/10=2/1; 9/16=-3/6; 6/7=3,40=2/1,7; 99/5=1,9=1/99; ----------------------- R-Benzoin (Conformer 3) ----------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 C 2 B2 1 A1 C 3 B3 2 A2 1 D1 0 C 4 B4 3 A3 2 D2 0 C 5 B5 4 A4 3 D3 0 C 6 B6 5 A5 4 D4 0 C 3 B7 4 A6 5 D5 0 H 8 B8 3 A7 4 D6 0 H 7 B9 8 A8 3 D7 0 H 6 B10 5 A9 4 D8 0 H 5 B11 6 A10 7 D9 0 H 4 B12 5 A11 6 D10 0 O 2 B13 3 A12 4 D11 0 C 1 B14 2 A13 3 D12 0 C 15 B15 1 A14 2 D13 0 C 16 B16 15 A15 1 D14 0 C 17 B17 16 A16 15 D15 0 C 18 B18 17 A17 16 D16 0 C 19 B19 18 A18 17 D17 0 H 20 B20 19 A19 18 D18 0 H 19 B21 18 A20 17 D19 0 H 18 B22 17 A21 16 D20 0 H 17 B23 16 A22 15 D21 0 H 16 B24 15 A23 1 D22 0 O 1 B25 2 A24 3 D23 0 H 26 B26 1 A25 2 D24 0 H 1 B27 2 A26 3 D25 0 Variables: B1 1.52918 B2 1.4875 B3 1.40351 B4 1.39197 B5 1.3982 B6 1.39663 B7 1.40274 B8 1.08297 B9 1.08741 B10 1.08759 B11 1.08739 B12 1.08657 B13 1.23387 B14 1.52109 B15 1.3982 B16 1.39717 B17 1.39546 B18 1.39787 B19 1.39436 B20 1.08832 B21 1.08748 B22 1.08724 B23 1.08767 B24 1.08675 B25 1.42619 B26 0.97412 B27 1.09923 A1 121.07492 A2 117.15434 A3 120.10968 A4 120.05529 A5 119.868 A6 119.864 A7 120.24653 A8 119.60591 A9 120.079 A10 120.04798 A11 121.2295 A12 121.29511 A13 109.37944 A14 121.30925 A15 120.13925 A16 120.25699 A17 119.66603 A18 120.25186 A19 120.36009 A20 120.06089 A21 120.17549 A22 119.68584 A23 119.70212 A24 109.20584 A25 106.75359 A26 104.52458 D1 -165.18762 D2 -178.30703 D3 1.1444 D4 -0.42022 D5 -1.19954 D6 -179.68068 D7 -179.59404 D8 179.76568 D9 -179.937 D10 -179.05617 D11 16.55735 D12 -85.50701 D13 121.45318 D14 179.32219 D15 0.14042 D16 -0.07719 D17 -0.04103 D18 179.86413 D19 179.96237 D20 179.9052 D21 -179.96479 D22 -0.90049 D23 39.58113 D24 165.16178 D25 157.78576 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 0.000000 0.000000 2 6 0 0.000000 0.000000 1.529177 3 6 0 1.274032 0.000000 2.296962 4 6 0 1.199490 -0.319265 3.661641 5 6 0 2.349094 -0.303281 4.446337 6 6 0 3.577315 0.054261 3.881882 7 6 0 3.649806 0.386747 2.527345 8 6 0 2.505591 0.359988 1.730095 9 1 0 2.569266 0.612531 0.678905 10 1 0 4.603243 0.672247 2.089273 11 1 0 4.475114 0.070565 4.495521 12 1 0 2.289114 -0.561696 5.500869 13 1 0 0.232727 -0.579372 4.083949 14 8 0 -1.092906 0.032106 2.100976 15 6 0 0.112407 1.430499 -0.504732 16 6 0 1.165825 1.827776 -1.333847 17 6 0 1.237456 3.144761 -1.794820 18 6 0 0.260874 4.071938 -1.428828 19 6 0 -0.792155 3.676495 -0.598898 20 6 0 -0.868559 2.362474 -0.138743 21 1 0 -1.686422 2.053254 0.509265 22 1 0 -1.556363 4.393905 -0.309189 23 1 0 0.318754 5.096830 -1.787062 24 1 0 2.059840 3.445691 -2.439925 25 1 0 1.930444 1.108543 -1.615068 26 8 0 1.038019 -0.858149 -0.469164 27 1 0 0.861579 -1.022218 -1.413019 28 1 0 -0.985120 -0.402306 -0.275682 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.529177 0.000000 3 C 2.626631 1.487498 0.000000 4 C 3.866306 2.467410 1.403509 0.000000 5 C 5.037870 3.757665 2.422303 1.391974 0.000000 6 C 5.279123 4.281980 2.796432 2.417040 1.398204 7 C 4.456246 3.803550 2.418047 2.790901 2.418785 8 C 3.066073 2.539280 1.402735 2.428612 2.800426 9 H 2.727129 2.774759 2.161234 3.411928 3.883392 10 H 5.099688 4.685666 3.402748 3.878270 3.404203 11 H 6.343606 5.369434 3.884015 3.402505 2.159200 12 H 5.984572 4.618429 3.407479 2.151468 1.087388 13 H 4.131401 2.629961 2.147862 1.086567 2.164846 14 O 2.368454 1.233867 2.375255 2.795392 4.178584 15 C 1.521090 2.489126 3.353384 4.647805 5.702793 16 C 2.545400 3.591215 4.066356 5.437447 6.273122 17 C 3.826513 4.740229 5.160769 6.463272 7.216424 18 C 4.323226 5.039695 5.611477 6.787970 7.617136 19 C 3.808255 4.321207 5.115833 6.171300 7.152654 20 C 2.520899 3.019542 4.013058 5.090331 6.203427 21 H 2.705406 2.846066 4.021940 4.888232 6.110580 22 H 4.671645 5.010814 5.840339 6.751014 7.741523 23 H 5.410441 6.089066 6.600718 7.732926 8.493453 24 H 4.697761 5.645307 5.910023 7.221094 7.845958 25 H 2.750259 3.852500 4.118703 5.515124 6.237719 26 O 1.426190 2.409828 2.905782 4.168935 5.117513 27 H 1.945217 3.231681 3.870272 5.134248 6.087826 28 H 1.099233 2.095192 3.447335 4.503547 5.781372 6 7 8 9 10 6 C 0.000000 7 C 1.396629 0.000000 8 C 2.423272 1.394830 0.000000 9 H 3.403953 2.152969 1.082975 0.000000 10 H 2.155895 1.087410 2.150967 2.475836 0.000000 11 H 1.087594 2.157503 3.407399 4.300296 2.483640 12 H 2.158699 3.404830 3.887814 4.970778 4.303114 13 H 3.410072 3.877219 3.404252 4.298183 4.964543 14 O 4.998308 4.775026 3.632387 3.971232 5.732018 15 C 5.756910 4.774526 3.444964 2.847144 5.241318 16 C 6.013691 4.812020 3.652002 2.738182 4.986867 17 C 6.873942 5.666320 4.667778 3.782224 5.703334 18 C 7.439365 6.380971 5.366201 4.662478 6.541490 19 C 7.231199 6.350342 5.224802 4.724384 6.735138 20 C 6.423323 5.605992 4.345963 3.943285 6.145042 21 H 6.563342 5.943502 4.683006 4.496148 6.630497 22 H 7.921632 7.155937 6.077058 5.682952 7.585783 23 H 8.257279 7.203811 6.292084 5.590594 7.277345 24 H 7.332787 6.046395 5.206661 4.244220 5.888507 25 H 5.834394 4.542772 3.475808 2.432372 4.588719 26 O 5.119777 4.165364 2.911076 2.413644 4.647421 27 H 6.047314 5.028505 3.806893 3.156698 5.397899 28 H 6.189476 5.473765 4.097475 3.817695 6.162587 11 12 13 14 15 11 H 0.000000 12 H 2.487785 0.000000 13 H 4.311572 2.497339 0.000000 14 O 6.061202 4.832177 2.462395 0.000000 15 C 6.773859 6.691348 5.010993 3.193430 0.000000 16 C 6.929698 7.326984 6.001462 4.486012 1.398196 17 C 7.713721 8.250508 7.031257 5.504220 2.422552 18 C 8.298718 8.579337 7.212918 5.532854 2.802355 19 C 8.167004 8.041370 6.410292 4.545475 2.423138 20 C 7.435328 7.094145 5.262929 3.239952 1.401721 21 H 7.601699 6.896301 4.836550 2.640236 2.156803 22 H 8.840545 8.549997 6.872699 5.004895 3.406583 23 H 9.055911 9.434785 8.166727 6.539194 3.889593 24 H 8.082415 8.897635 7.880380 6.497087 3.405652 25 H 6.700152 7.318121 6.181431 4.910024 2.154474 26 O 6.109356 6.106915 4.632175 3.455287 2.468994 27 H 7.011609 7.074729 5.550516 4.156894 2.720673 28 H 7.266509 6.641880 4.529999 2.418436 2.148535 16 17 18 19 20 16 C 0.000000 17 C 1.397167 0.000000 18 C 2.421615 1.395463 0.000000 19 C 2.791343 2.415014 1.397866 0.000000 20 C 2.419276 2.791033 2.421199 1.394357 0.000000 21 H 3.403413 3.879338 3.409289 2.159317 1.088316 22 H 3.878821 3.401895 2.158612 1.087485 2.151473 23 H 3.407293 2.157463 1.087238 2.159445 3.406372 24 H 2.154139 1.087673 2.156566 3.402429 3.878700 25 H 1.086749 2.158408 3.406443 3.878082 3.403865 26 O 2.824572 4.221425 5.082387 4.891765 3.757211 27 H 2.867281 4.201282 5.129475 5.047329 4.009152 28 H 3.274072 4.453012 4.785510 4.096135 2.770622 21 22 23 24 25 21 H 0.000000 22 H 2.483028 0.000000 23 H 4.307807 2.488831 0.000000 24 H 4.966999 4.303030 2.486739 0.000000 25 H 4.299650 4.965556 4.305062 2.481812 0.000000 26 O 4.105627 5.860075 6.141333 4.842628 2.444871 27 H 4.432382 6.033181 6.154455 4.738414 2.392371 28 H 2.671655 4.830225 5.850201 5.363096 3.546425 26 27 28 26 O 0.000000 27 H 0.974122 0.000000 28 H 2.082864 2.255687 0.000000 Stoichiometry C14H12O2 Framework group C1[X(C14H12O2)] Deg. of freedom 78 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.620833 1.089949 1.113277 2 6 0 0.557317 1.361716 0.177068 3 6 0 1.635396 0.354548 -0.012692 4 6 0 2.821315 0.792756 -0.622124 5 6 0 3.856746 -0.106162 -0.861752 6 6 0 3.708399 -1.453177 -0.517489 7 6 0 2.522762 -1.893073 0.075241 8 6 0 1.485217 -0.996878 0.331924 9 1 0 0.570734 -1.342708 0.797710 10 1 0 2.403623 -2.941915 0.336386 11 1 0 4.515714 -2.156595 -0.708034 12 1 0 4.778212 0.239312 -1.324311 13 1 0 2.910257 1.840516 -0.895834 14 8 0 0.564098 2.431422 -0.437839 15 6 0 -1.696989 0.322409 0.360624 16 6 0 -2.136282 -0.930758 0.798284 17 6 0 -3.136351 -1.608138 0.096077 18 6 0 -3.700609 -1.040418 -1.047000 19 6 0 -3.261476 0.211804 -1.486467 20 6 0 -2.265373 0.892128 -0.787061 21 1 0 -1.920607 1.866150 -1.128892 22 1 0 -3.696325 0.659934 -2.376809 23 1 0 -4.477673 -1.569391 -1.593302 24 1 0 -3.472922 -2.582358 0.443422 25 1 0 -1.693806 -1.377012 1.684904 26 8 0 -0.147837 0.420905 2.280613 27 1 0 -0.858658 0.477713 2.944254 28 1 0 -1.004079 2.087491 1.370853 --------------------------------------------------------------------- Rotational constants (GHZ): 0.9525794 0.3450835 0.3180733 Standard basis: 6-31G(d) (6D, 7F) AO basis set in the form of general basis input (Overlap normalization): 1 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 2 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 3 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 4 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 5 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 6 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 7 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 8 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 9 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 10 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 11 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 12 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 13 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 14 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 15 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 16 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 17 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 18 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 19 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 20 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 21 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 22 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 23 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 24 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 25 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 26 0 S 6 1.00 0.000000000000 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 SP 3 1.00 0.000000000000 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 SP 1 1.00 0.000000000000 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 27 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 28 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** There are 264 symmetry adapted cartesian basis functions of A symmetry. There are 264 symmetry adapted basis functions of A symmetry. 264 basis functions, 496 primitive gaussians, 264 cartesian basis functions 56 alpha electrons 56 beta electrons nuclear repulsion energy 1012.5549120909 Hartrees. NAtoms= 28 NActive= 28 NUniq= 28 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. PrsmSu: requested number of processors reduced to: 9 ShMem 1 Linda. NBasis= 264 RedAO= T EigKep= 4.58D-04 NBF= 264 NBsUse= 264 1.00D-06 EigRej= -1.00D+00 NBFU= 264 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 1 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -686.858161326 A.U. after 16 cycles NFock= 16 Conv=0.48D-08 -V/T= 2.0023 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14 ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Range of M.O.s used for correlation: 17 264 NBasis= 264 NAE= 56 NBE= 56 NFC= 16 NFV= 0 NROrb= 248 NOA= 40 NOB= 40 NVA= 208 NVB= 208 Disk-based method using OVN memory for 40 occupieds at a time. Estimated scratch disk usage= 646092672 words. Actual scratch disk usage= 627529600 words. GetIJB would need an additional 10643629 words of memory to use all 12 processors. JobTyp=1 Pass 1: I= 1 to 40 NPSUse= 9 ParTrn=T ParDer=T DoDerP=F. Spin components of T(2) and E(2): alpha-alpha T2 = 0.1055162730D+00 E2= -0.2891934133D+00 alpha-beta T2 = 0.5398877224D+00 E2= -0.1551096145D+01 beta-beta T2 = 0.1055162730D+00 E2= -0.2891934133D+00 ANorm= 0.1323223439D+01 E2 = -0.2129482971D+01 EUMP2 = -0.68898764429701D+03 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (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 -- -20.58719 -20.55293 -11.33777 -11.30567 -11.25180 Alpha occ. eigenvalues -- -11.24626 -11.24475 -11.24356 -11.24240 -11.24228 Alpha occ. eigenvalues -- -11.24201 -11.24121 -11.24054 -11.23899 -11.23679 Alpha occ. eigenvalues -- -11.23612 -1.38800 -1.36889 -1.15687 -1.15236 Alpha occ. eigenvalues -- -1.05494 -1.02917 -1.01695 -1.01482 -0.95625 Alpha occ. eigenvalues -- -0.86064 -0.83117 -0.82752 -0.81007 -0.75498 Alpha occ. eigenvalues -- -0.71649 -0.71045 -0.68628 -0.66091 -0.64722 Alpha occ. eigenvalues -- -0.63463 -0.62494 -0.61079 -0.59982 -0.59313 Alpha occ. eigenvalues -- -0.58871 -0.58445 -0.54987 -0.53143 -0.51651 Alpha occ. eigenvalues -- -0.51186 -0.50212 -0.49451 -0.49087 -0.48241 Alpha occ. eigenvalues -- -0.46166 -0.41525 -0.34050 -0.33709 -0.33337 Alpha occ. eigenvalues -- -0.32748 Alpha virt. eigenvalues -- 0.08598 0.13111 0.13795 0.14593 0.20711 Alpha virt. eigenvalues -- 0.21753 0.23902 0.24345 0.27705 0.29707 Alpha virt. eigenvalues -- 0.30417 0.30708 0.31473 0.32740 0.33277 Alpha virt. eigenvalues -- 0.33790 0.35192 0.36762 0.38208 0.39549 Alpha virt. eigenvalues -- 0.43457 0.44384 0.46514 0.46765 0.47376 Alpha virt. eigenvalues -- 0.47869 0.48851 0.50896 0.51722 0.53839 Alpha virt. eigenvalues -- 0.56479 0.59253 0.67466 0.69038 0.71712 Alpha virt. eigenvalues -- 0.73619 0.74457 0.74837 0.75835 0.77067 Alpha virt. eigenvalues -- 0.77189 0.77761 0.78185 0.80057 0.80953 Alpha virt. eigenvalues -- 0.81790 0.81971 0.82536 0.83035 0.83489 Alpha virt. eigenvalues -- 0.83665 0.83892 0.84117 0.86299 0.87762 Alpha virt. eigenvalues -- 0.88562 0.89036 0.90858 0.91714 0.94159 Alpha virt. eigenvalues -- 0.95206 0.98533 0.99708 1.01389 1.02991 Alpha virt. eigenvalues -- 1.04308 1.06554 1.08577 1.09926 1.10362 Alpha virt. eigenvalues -- 1.10974 1.11164 1.11529 1.11949 1.14298 Alpha virt. eigenvalues -- 1.14467 1.15370 1.16618 1.17149 1.18560 Alpha virt. eigenvalues -- 1.19832 1.20366 1.21216 1.22806 1.24591 Alpha virt. eigenvalues -- 1.25398 1.27257 1.29684 1.31367 1.31845 Alpha virt. eigenvalues -- 1.32870 1.36074 1.37337 1.38542 1.39892 Alpha virt. eigenvalues -- 1.40723 1.43024 1.44814 1.46073 1.48778 Alpha virt. eigenvalues -- 1.50362 1.53876 1.55045 1.55825 1.63503 Alpha virt. eigenvalues -- 1.66316 1.67188 1.68131 1.70269 1.70682 Alpha virt. eigenvalues -- 1.71293 1.72168 1.73644 1.75403 1.76127 Alpha virt. eigenvalues -- 1.77047 1.78141 1.78517 1.79205 1.80232 Alpha virt. eigenvalues -- 1.86455 1.91492 1.97791 2.00882 2.02724 Alpha virt. eigenvalues -- 2.05999 2.08279 2.09946 2.11461 2.12485 Alpha virt. eigenvalues -- 2.14275 2.16374 2.17089 2.19358 2.21553 Alpha virt. eigenvalues -- 2.22907 2.24766 2.26086 2.29644 2.30200 Alpha virt. eigenvalues -- 2.31569 2.33202 2.36057 2.37884 2.38544 Alpha virt. eigenvalues -- 2.40446 2.42682 2.44939 2.45885 2.46481 Alpha virt. eigenvalues -- 2.47009 2.47762 2.48247 2.50334 2.52617 Alpha virt. eigenvalues -- 2.57069 2.61012 2.61944 2.63100 2.63269 Alpha virt. eigenvalues -- 2.63545 2.64931 2.69398 2.71119 2.74828 Alpha virt. eigenvalues -- 2.80924 2.87331 2.89791 2.91860 2.92616 Alpha virt. eigenvalues -- 2.93038 2.94502 2.96788 2.98929 3.00082 Alpha virt. eigenvalues -- 3.02767 3.06146 3.08475 3.09809 3.10075 Alpha virt. eigenvalues -- 3.11117 3.11740 3.15898 3.21901 3.25074 Alpha virt. eigenvalues -- 3.26423 3.37171 3.39807 3.45405 3.53444 Alpha virt. eigenvalues -- 3.78032 3.80049 4.26566 4.47880 4.51260 Alpha virt. eigenvalues -- 4.51496 4.54030 4.54736 4.57246 4.59474 Alpha virt. eigenvalues -- 4.69728 4.75853 4.76248 4.80142 4.85768 Alpha virt. eigenvalues -- 5.04082 5.13425 5.17022 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -20.58719 -20.55293 -11.33777 -11.30567 -11.25180 1 1 C 1S -0.00005 -0.00001 0.00945 0.99607 -0.00580 2 2S 0.00010 -0.00004 0.00078 0.02860 0.00066 3 2PX 0.00012 -0.00004 0.00015 0.00031 -0.00004 4 2PY -0.00014 -0.00003 0.00012 -0.00071 -0.00010 5 2PZ 0.00028 0.00003 -0.00012 0.00032 -0.00001 6 3S 0.00110 0.00047 0.00078 -0.02276 -0.00225 7 3PX -0.00024 -0.00021 0.00264 -0.00095 -0.00252 8 3PY -0.00039 -0.00008 -0.00108 0.00266 0.00082 9 3PZ 0.00011 -0.00008 0.00084 0.00247 0.00032 10 4XX -0.00007 -0.00002 -0.00028 -0.00125 -0.00029 11 4YY -0.00007 -0.00004 -0.00015 -0.00109 -0.00002 12 4ZZ 0.00002 -0.00005 -0.00027 -0.00112 -0.00020 13 4XY 0.00000 -0.00002 -0.00018 -0.00012 -0.00024 14 4XZ 0.00005 0.00002 0.00015 0.00003 -0.00016 15 4YZ -0.00007 0.00002 0.00010 -0.00003 -0.00007 16 2 C 1S 0.00001 -0.00001 0.99593 -0.00968 -0.00004 17 2S 0.00007 0.00043 0.02705 -0.00031 -0.00077 18 2PX 0.00003 0.00001 -0.00017 -0.00010 0.00015 19 2PY 0.00000 0.00001 0.00031 -0.00015 0.00012 20 2PZ 0.00000 -0.00001 -0.00024 0.00007 -0.00005 21 3S -0.00006 -0.00003 -0.01086 0.00447 0.00529 22 3PX -0.00007 0.00003 -0.00019 -0.00332 -0.00139 23 3PY 0.00031 -0.00067 0.00701 -0.00250 -0.00324 24 3PZ -0.00026 0.00033 -0.00301 0.00343 0.00168 25 4XX 0.00000 -0.00006 -0.00149 -0.00022 -0.00005 26 4YY -0.00001 -0.00057 -0.00079 -0.00015 -0.00021 27 4ZZ -0.00004 -0.00023 -0.00153 -0.00026 -0.00023 28 4XY 0.00000 0.00000 -0.00016 0.00000 -0.00001 29 4XZ 0.00002 0.00000 -0.00030 0.00013 -0.00007 30 4YZ 0.00003 0.00033 -0.00071 0.00004 0.00000 31 3 C 1S 0.00001 0.00000 0.00350 -0.00020 -0.00006 32 2S -0.00001 0.00002 0.00002 -0.00004 0.00023 33 2PX -0.00002 0.00001 0.00019 0.00011 -0.00003 34 2PY 0.00000 -0.00002 0.00002 -0.00004 0.00000 35 2PZ 0.00003 0.00001 -0.00008 -0.00006 0.00004 36 3S 0.00043 -0.00015 0.00614 -0.00185 -0.00287 37 3PX -0.00009 0.00035 -0.00507 0.00012 0.00313 38 3PY -0.00018 0.00008 -0.00154 0.00150 0.00060 39 3PZ 0.00011 -0.00020 0.00274 -0.00064 -0.00143 40 4XX 0.00004 0.00003 -0.00043 -0.00007 -0.00007 41 4YY 0.00002 -0.00007 -0.00040 0.00003 -0.00002 42 4ZZ 0.00003 0.00000 -0.00024 -0.00004 0.00005 43 4XY 0.00001 0.00002 0.00019 -0.00008 0.00000 44 4XZ -0.00001 -0.00004 0.00005 0.00003 0.00005 45 4YZ -0.00001 0.00002 0.00002 -0.00004 0.00000 46 4 C 1S 0.00000 0.00000 -0.00002 -0.00002 -0.00005 47 2S 0.00001 0.00001 -0.00022 -0.00013 0.00003 48 2PX 0.00001 0.00000 -0.00004 0.00005 0.00006 49 2PY 0.00000 0.00000 -0.00005 -0.00001 -0.00003 50 2PZ -0.00001 0.00000 0.00001 0.00001 -0.00002 51 3S 0.00001 -0.00007 0.00235 -0.00011 -0.00212 52 3PX -0.00002 0.00026 -0.00174 -0.00074 0.00000 53 3PY 0.00006 0.00012 -0.00014 0.00005 0.00109 54 3PZ 0.00002 -0.00012 0.00077 0.00027 -0.00025 55 4XX -0.00001 -0.00002 0.00010 0.00000 0.00000 56 4YY 0.00000 -0.00001 0.00004 -0.00002 -0.00003 57 4ZZ 0.00000 0.00000 -0.00003 -0.00004 0.00000 58 4XY -0.00001 -0.00002 0.00005 0.00004 0.00002 59 4XZ 0.00001 0.00001 -0.00008 -0.00004 0.00000 60 4YZ 0.00000 0.00001 -0.00004 -0.00004 0.00000 61 5 C 1S 0.00000 0.00000 -0.00001 -0.00001 -0.00002 62 2S 0.00000 0.00001 -0.00007 -0.00006 -0.00006 63 2PX 0.00000 0.00000 0.00003 0.00000 -0.00003 64 2PY 0.00000 0.00000 -0.00004 -0.00002 0.00001 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 66 3S -0.00003 -0.00012 0.00084 0.00093 0.00149 67 3PX -0.00001 0.00003 -0.00047 -0.00027 -0.00052 68 3PY 0.00004 -0.00012 0.00049 0.00016 -0.00011 69 3PZ 0.00000 0.00000 0.00009 0.00010 0.00026 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 71 4YY 0.00000 0.00000 -0.00001 0.00002 0.00002 72 4ZZ 0.00000 0.00000 -0.00003 -0.00002 -0.00001 73 4XY 0.00000 0.00000 0.00000 -0.00001 -0.00002 74 4XZ 0.00000 0.00000 -0.00002 -0.00001 -0.00001 75 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00004 77 2S -0.00001 0.00000 0.00002 0.00002 0.00005 78 2PX 0.00000 0.00000 0.00004 0.00000 -0.00002 79 2PY 0.00000 0.00000 0.00002 0.00002 0.00002 80 2PZ 0.00000 0.00000 -0.00002 -0.00001 0.00001 81 3S 0.00001 0.00003 -0.00086 -0.00004 -0.00036 82 3PX -0.00002 -0.00007 0.00065 0.00019 0.00023 83 3PY 0.00007 0.00000 -0.00008 -0.00050 -0.00072 84 3PZ -0.00004 0.00004 -0.00029 0.00006 0.00002 85 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 86 4YY 0.00000 0.00000 0.00002 0.00000 -0.00001 87 4ZZ -0.00001 0.00000 -0.00001 0.00001 0.00002 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 91 7 C 1S 0.00000 0.00000 -0.00003 -0.00004 -0.00004 92 2S 0.00002 0.00002 -0.00019 -0.00015 -0.00009 93 2PX 0.00001 0.00000 -0.00005 0.00000 -0.00001 94 2PY -0.00001 0.00000 -0.00002 0.00000 0.00004 95 2PZ -0.00002 0.00000 0.00001 0.00001 -0.00002 96 3S -0.00033 -0.00016 0.00166 0.00174 0.00193 97 3PX 0.00022 -0.00002 0.00035 -0.00102 -0.00104 98 3PY -0.00007 -0.00010 0.00131 0.00071 0.00059 99 3PZ 0.00003 0.00002 -0.00031 0.00019 0.00040 100 4XX -0.00002 0.00000 -0.00001 0.00002 0.00002 101 4YY 0.00000 0.00000 0.00002 0.00000 0.00001 102 4ZZ 0.00000 0.00001 -0.00006 -0.00006 -0.00002 103 4XY 0.00001 0.00000 -0.00003 -0.00005 -0.00004 104 4XZ 0.00000 0.00000 -0.00003 -0.00003 -0.00002 105 4YZ 0.00001 0.00000 0.00000 0.00000 0.00002 106 8 C 1S 0.00001 0.00000 0.00000 -0.00002 -0.00024 107 2S 0.00002 0.00000 0.00005 0.00002 0.00001 108 2PX -0.00001 0.00000 0.00010 0.00006 0.00008 109 2PY 0.00004 0.00002 -0.00013 -0.00008 -0.00004 110 2PZ 0.00005 0.00000 0.00003 -0.00005 0.00003 111 3S -0.00005 0.00020 -0.00405 -0.00004 0.00007 112 3PX 0.00014 0.00007 -0.00054 -0.00073 -0.00146 113 3PY -0.00051 0.00005 -0.00154 0.00204 0.00221 114 3PZ -0.00015 -0.00003 0.00030 0.00012 0.00002 115 4XX 0.00005 0.00000 0.00003 -0.00007 -0.00009 116 4YY 0.00001 0.00002 -0.00002 0.00002 0.00006 117 4ZZ 0.00003 0.00000 0.00001 -0.00002 0.00000 118 4XY -0.00003 0.00001 0.00008 0.00009 0.00005 119 4XZ 0.00001 0.00000 -0.00004 -0.00001 0.00002 120 4YZ 0.00001 -0.00001 -0.00005 -0.00003 -0.00004 121 9 H 1S 0.00006 0.00000 -0.00001 -0.00009 -0.00020 122 2S -0.00019 0.00002 -0.00010 0.00039 0.00026 123 10 H 1S 0.00001 0.00000 0.00005 -0.00003 -0.00005 124 2S 0.00000 -0.00003 0.00041 0.00011 -0.00001 125 11 H 1S 0.00001 0.00000 -0.00003 -0.00005 -0.00005 126 2S 0.00002 0.00002 -0.00011 -0.00014 -0.00020 127 12 H 1S 0.00000 0.00001 -0.00002 -0.00003 -0.00001 128 2S 0.00000 0.00002 0.00011 0.00003 0.00009 129 13 H 1S 0.00000 0.00002 -0.00010 -0.00004 -0.00005 130 2S -0.00003 -0.00019 0.00006 0.00019 -0.00022 131 14 O 1S 0.00004 0.99469 -0.00018 -0.00010 -0.00003 132 2S 0.00004 0.02091 0.00094 -0.00057 -0.00014 133 2PX 0.00000 -0.00001 0.00004 0.00002 -0.00004 134 2PY -0.00001 -0.00128 -0.00017 0.00007 -0.00004 135 2PZ -0.00001 0.00074 0.00012 -0.00005 0.00000 136 3S -0.00029 0.00462 -0.00544 0.00303 0.00133 137 3PX 0.00002 0.00000 -0.00009 0.00034 0.00037 138 3PY 0.00007 0.00005 0.00182 -0.00091 -0.00008 139 3PZ 0.00001 -0.00002 -0.00129 0.00024 0.00019 140 4XX 0.00002 -0.00398 0.00048 -0.00030 -0.00010 141 4YY 0.00003 -0.00378 0.00017 -0.00019 -0.00007 142 4ZZ 0.00002 -0.00399 0.00039 -0.00036 -0.00006 143 4XY -0.00001 -0.00007 0.00007 -0.00005 -0.00007 144 4XZ 0.00000 -0.00013 0.00008 -0.00004 0.00004 145 4YZ -0.00001 -0.00021 0.00030 -0.00010 -0.00002 146 15 C 1S 0.00000 0.00001 -0.00018 0.00567 0.99272 147 2S 0.00006 0.00002 -0.00056 0.00026 0.02776 148 2PX -0.00002 0.00003 -0.00022 0.00007 0.00023 149 2PY 0.00001 0.00002 -0.00016 0.00005 0.00013 150 2PZ -0.00001 0.00000 0.00003 -0.00007 -0.00003 151 3S -0.00025 -0.00006 0.00294 0.00445 -0.01502 152 3PX -0.00040 -0.00046 0.00198 0.00364 0.00104 153 3PY -0.00030 -0.00027 0.00258 0.00087 -0.00071 154 3PZ -0.00039 -0.00028 -0.00042 0.00322 0.00191 155 4XX -0.00004 0.00001 -0.00007 -0.00013 -0.00175 156 4YY 0.00000 0.00003 -0.00025 -0.00014 -0.00143 157 4ZZ -0.00006 0.00003 -0.00019 -0.00023 -0.00163 158 4XY 0.00001 0.00000 0.00008 -0.00007 0.00021 159 4XZ -0.00005 0.00000 0.00001 -0.00008 0.00028 160 4YZ -0.00001 -0.00001 0.00002 -0.00010 -0.00032 161 16 C 1S 0.00000 0.00000 0.00001 -0.00007 0.06245 162 2S 0.00001 0.00001 -0.00004 -0.00009 0.00159 163 2PX -0.00001 -0.00001 0.00009 -0.00010 -0.00005 164 2PY 0.00000 -0.00001 0.00006 -0.00009 -0.00021 165 2PZ -0.00001 0.00000 0.00000 -0.00006 0.00008 166 3S -0.00011 -0.00028 0.00161 -0.00109 0.00347 167 3PX 0.00009 0.00016 -0.00080 0.00020 0.00000 168 3PY -0.00011 -0.00005 0.00039 0.00023 0.00131 169 3PZ 0.00022 0.00020 -0.00079 0.00017 -0.00105 170 4XX -0.00001 0.00000 0.00001 -0.00007 -0.00034 171 4YY -0.00001 -0.00001 0.00008 -0.00001 -0.00060 172 4ZZ -0.00002 0.00000 0.00002 0.00001 -0.00035 173 4XY -0.00001 0.00000 0.00000 -0.00004 -0.00016 174 4XZ -0.00001 0.00000 0.00002 0.00003 -0.00002 175 4YZ 0.00001 0.00001 -0.00001 -0.00011 0.00010 176 17 C 1S 0.00000 0.00000 0.00000 -0.00003 0.00366 177 2S 0.00000 -0.00001 0.00001 -0.00020 0.00003 178 2PX 0.00001 0.00000 -0.00004 0.00000 0.00000 179 2PY 0.00001 0.00000 -0.00002 -0.00004 -0.00001 180 2PZ 0.00000 0.00000 -0.00002 0.00001 0.00001 181 3S 0.00011 0.00022 -0.00067 0.00152 -0.00130 182 3PX 0.00001 0.00006 -0.00021 0.00052 -0.00015 183 3PY 0.00006 0.00009 -0.00022 0.00097 -0.00062 184 3PZ -0.00005 0.00002 -0.00024 -0.00011 0.00030 185 4XX 0.00000 0.00000 -0.00001 -0.00002 0.00004 186 4YY 0.00000 0.00000 -0.00001 -0.00001 0.00005 187 4ZZ 0.00000 0.00000 -0.00001 -0.00003 0.00001 188 4XY 0.00000 0.00000 -0.00001 0.00005 0.00006 189 4XZ 0.00000 0.00000 -0.00001 0.00005 0.00003 190 4YZ 0.00000 0.00000 -0.00002 -0.00001 0.00001 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00069 192 2S 0.00001 0.00001 0.00001 0.00001 -0.00016 193 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00002 194 2PY 0.00000 0.00000 -0.00003 -0.00001 0.00000 195 2PZ 0.00000 0.00000 0.00001 -0.00003 -0.00003 196 3S -0.00007 -0.00015 -0.00031 -0.00065 0.00182 197 3PX -0.00004 -0.00005 -0.00009 -0.00044 0.00070 198 3PY 0.00000 -0.00006 -0.00002 -0.00017 0.00062 199 3PZ -0.00004 -0.00002 -0.00006 -0.00039 0.00040 200 4XX 0.00000 0.00000 0.00000 -0.00002 -0.00004 201 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 202 4ZZ 0.00000 0.00000 0.00001 -0.00001 -0.00003 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 205 4YZ 0.00000 0.00000 0.00000 -0.00001 -0.00002 206 19 C 1S 0.00000 0.00000 -0.00002 -0.00003 0.00221 207 2S 0.00000 0.00000 -0.00009 -0.00016 0.00004 208 2PX 0.00000 0.00000 0.00004 -0.00004 -0.00003 209 2PY 0.00000 0.00000 0.00003 -0.00001 -0.00002 210 2PZ 0.00001 0.00000 -0.00002 -0.00004 -0.00001 211 3S 0.00013 0.00016 0.00043 0.00130 -0.00163 212 3PX 0.00005 0.00003 0.00018 0.00066 -0.00018 213 3PY 0.00003 -0.00009 -0.00020 0.00021 0.00080 214 3PZ 0.00001 0.00009 0.00052 0.00060 -0.00094 215 4XX 0.00000 0.00000 0.00001 -0.00003 0.00005 216 4YY 0.00000 0.00000 0.00000 -0.00003 0.00002 217 4ZZ 0.00000 0.00000 0.00002 -0.00003 0.00005 218 4XY 0.00000 0.00000 0.00003 0.00003 0.00002 219 4XZ 0.00000 0.00000 0.00004 0.00004 0.00005 220 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 221 20 C 1S 0.00000 0.00000 -0.00004 -0.00004 0.04479 222 2S 0.00001 0.00000 0.00004 -0.00017 0.00100 223 2PX 0.00001 0.00000 -0.00014 -0.00003 0.00000 224 2PY -0.00001 -0.00002 -0.00002 -0.00005 0.00010 225 2PZ 0.00000 0.00001 -0.00002 -0.00003 -0.00014 226 3S -0.00024 -0.00011 -0.00147 0.00087 0.00596 227 3PX 0.00007 0.00008 -0.00023 0.00068 0.00069 228 3PY 0.00019 0.00033 0.00012 -0.00036 -0.00176 229 3PZ 0.00002 -0.00015 -0.00049 0.00133 0.00235 230 4XX 0.00000 0.00001 -0.00012 -0.00003 -0.00032 231 4YY 0.00000 -0.00001 -0.00002 0.00005 -0.00034 232 4ZZ 0.00002 -0.00001 -0.00003 0.00003 -0.00047 233 4XY 0.00000 0.00000 -0.00003 0.00003 0.00001 234 4XZ 0.00000 0.00000 -0.00007 0.00004 -0.00014 235 4YZ -0.00001 0.00001 -0.00009 -0.00010 0.00012 236 21 H 1S -0.00001 0.00001 -0.00003 -0.00007 -0.00007 237 2S -0.00006 -0.00027 0.00008 0.00029 0.00036 238 22 H 1S 0.00000 0.00000 0.00003 -0.00001 -0.00006 239 2S -0.00001 0.00004 0.00021 0.00024 -0.00021 240 23 H 1S 0.00000 0.00000 0.00000 -0.00004 0.00002 241 2S -0.00002 -0.00002 -0.00001 -0.00011 0.00025 242 24 H 1S 0.00000 0.00000 0.00001 0.00002 -0.00003 243 2S 0.00002 0.00001 0.00000 0.00037 -0.00006 244 25 H 1S -0.00002 -0.00001 0.00006 -0.00003 -0.00002 245 2S -0.00014 -0.00008 0.00038 0.00001 0.00016 246 26 O 1S 0.99466 -0.00002 0.00000 -0.00019 -0.00002 247 2S 0.02121 0.00002 -0.00006 -0.00012 -0.00020 248 2PX -0.00119 0.00000 -0.00006 -0.00004 0.00004 249 2PY 0.00056 0.00000 -0.00004 0.00005 0.00000 250 2PZ -0.00012 -0.00001 0.00009 -0.00010 0.00002 251 3S 0.00353 -0.00010 -0.00067 0.00355 0.00117 252 3PX 0.00072 -0.00002 0.00039 -0.00023 -0.00015 253 3PY -0.00037 -0.00001 0.00005 0.00012 0.00014 254 3PZ 0.00017 0.00007 -0.00018 -0.00081 -0.00043 255 4XX -0.00404 0.00002 -0.00002 -0.00020 -0.00009 256 4YY -0.00391 0.00002 -0.00008 -0.00028 -0.00008 257 4ZZ -0.00418 0.00000 0.00004 -0.00053 0.00003 258 4XY 0.00009 0.00000 0.00004 0.00014 0.00005 259 4XZ 0.00002 0.00002 -0.00010 -0.00021 0.00009 260 4YZ 0.00014 0.00001 -0.00012 0.00041 -0.00001 261 27 H 1S 0.00045 -0.00001 0.00010 -0.00003 -0.00006 262 2S -0.00023 -0.00002 0.00015 0.00018 -0.00007 263 28 H 1S -0.00005 -0.00001 0.00016 0.00031 -0.00018 264 2S -0.00003 -0.00006 0.00050 0.00203 -0.00006 6 7 8 9 10 O O O O O Eigenvalues -- -11.24626 -11.24475 -11.24356 -11.24240 -11.24228 1 1 C 1S 0.00000 0.00007 0.00019 0.00011 0.00030 2 2S 0.00001 0.00008 -0.00010 -0.00008 -0.00001 3 2PX -0.00001 -0.00002 0.00000 -0.00004 0.00002 4 2PY -0.00001 0.00002 0.00002 0.00002 0.00001 5 2PZ 0.00000 -0.00001 -0.00002 0.00000 -0.00003 6 3S -0.00005 -0.00091 0.00026 0.00002 0.00004 7 3PX -0.00006 -0.00030 -0.00012 0.00009 -0.00011 8 3PY 0.00013 0.00048 -0.00028 0.00012 -0.00009 9 3PZ -0.00008 -0.00002 -0.00004 -0.00015 -0.00002 10 4XX -0.00001 -0.00002 0.00001 0.00000 0.00004 11 4YY 0.00000 -0.00001 0.00001 0.00000 0.00005 12 4ZZ 0.00000 0.00000 -0.00003 -0.00002 0.00001 13 4XY 0.00000 0.00000 0.00004 -0.00001 0.00004 14 4XZ 0.00000 -0.00002 0.00002 -0.00005 0.00002 15 4YZ 0.00000 0.00000 0.00001 -0.00001 0.00001 16 2 C 1S -0.00001 -0.00085 0.00000 -0.00313 0.00000 17 2S -0.00004 -0.00012 0.00004 -0.00003 0.00007 18 2PX 0.00002 -0.00002 0.00000 -0.00008 -0.00002 19 2PY -0.00001 0.00002 -0.00001 0.00002 -0.00002 20 2PZ -0.00001 0.00003 0.00000 0.00007 0.00000 21 3S 0.00085 0.00133 -0.00042 0.00325 -0.00066 22 3PX 0.00033 0.00017 -0.00030 0.00125 -0.00038 23 3PY -0.00040 -0.00058 0.00042 -0.00067 0.00036 24 3PZ 0.00001 0.00013 0.00002 -0.00057 0.00012 25 4XX 0.00001 -0.00007 -0.00001 -0.00035 0.00001 26 4YY 0.00001 -0.00001 0.00001 -0.00033 0.00004 27 4ZZ 0.00000 -0.00004 0.00002 -0.00012 0.00004 28 4XY -0.00001 0.00003 0.00000 0.00020 0.00001 29 4XZ -0.00001 0.00000 0.00000 0.00006 0.00000 30 4YZ 0.00000 -0.00002 0.00000 -0.00001 -0.00001 31 3 C 1S 0.00115 0.21893 0.00006 0.80003 -0.00006 32 2S -0.00012 0.00594 0.00001 0.02235 0.00002 33 2PX -0.00005 -0.00006 0.00000 -0.00021 0.00000 34 2PY 0.00005 0.00020 -0.00001 0.00002 -0.00002 35 2PZ 0.00001 -0.00001 -0.00001 0.00005 -0.00001 36 3S 0.00215 0.00256 -0.00011 -0.01013 -0.00037 37 3PX 0.00150 0.00113 -0.00036 0.00096 -0.00037 38 3PY -0.00136 -0.00230 0.00069 -0.00013 0.00108 39 3PZ -0.00035 0.00003 0.00004 -0.00016 -0.00002 40 4XX -0.00002 -0.00066 0.00002 -0.00154 0.00002 41 4YY -0.00001 -0.00086 -0.00002 -0.00131 -0.00004 42 4ZZ -0.00005 -0.00064 0.00001 -0.00178 0.00001 43 4XY 0.00001 -0.00004 -0.00001 -0.00002 -0.00001 44 4XZ -0.00003 0.00002 0.00000 -0.00015 0.00000 45 4YZ -0.00002 0.00006 0.00000 -0.00013 0.00000 46 4 C 1S 0.00666 0.03685 0.00000 0.55430 -0.00013 47 2S 0.00019 0.00097 -0.00001 0.01530 -0.00001 48 2PX -0.00001 0.00004 0.00000 0.00005 0.00000 49 2PY 0.00002 0.00002 0.00000 -0.00011 0.00000 50 2PZ 0.00000 -0.00002 0.00000 0.00002 0.00001 51 3S -0.00269 -0.00157 0.00020 -0.00344 0.00018 52 3PX 0.00016 -0.00017 0.00013 -0.00093 0.00021 53 3PY 0.00154 0.00098 -0.00027 0.00030 -0.00035 54 3PZ -0.00042 -0.00016 -0.00002 0.00026 -0.00004 55 4XX 0.00003 -0.00008 0.00000 -0.00127 -0.00001 56 4YY 0.00007 -0.00006 0.00001 -0.00123 0.00001 57 4ZZ 0.00000 -0.00010 0.00000 -0.00140 0.00000 58 4XY -0.00005 0.00002 0.00000 -0.00011 0.00000 59 4XZ 0.00000 -0.00001 0.00000 -0.00003 0.00001 60 4YZ 0.00001 -0.00002 0.00000 0.00001 0.00000 61 5 C 1S 0.05721 -0.00037 0.00000 0.05325 -0.00001 62 2S 0.00132 -0.00016 0.00000 0.00137 0.00000 63 2PX 0.00005 0.00003 0.00000 0.00007 0.00000 64 2PY 0.00016 0.00001 0.00000 -0.00005 0.00000 65 2PZ -0.00005 -0.00001 0.00000 -0.00002 0.00000 66 3S 0.00589 0.00163 -0.00023 0.00092 -0.00025 67 3PX -0.00180 -0.00086 0.00011 -0.00043 0.00013 68 3PY -0.00192 -0.00024 -0.00006 0.00063 -0.00012 69 3PZ 0.00116 0.00042 -0.00002 0.00007 -0.00001 70 4XX -0.00036 0.00000 0.00000 -0.00021 0.00000 71 4YY -0.00060 0.00001 0.00000 -0.00028 0.00000 72 4ZZ -0.00031 -0.00005 0.00000 -0.00017 0.00000 73 4XY 0.00003 -0.00001 0.00000 0.00005 0.00000 74 4XZ 0.00003 -0.00002 0.00000 0.00001 0.00000 75 4YZ 0.00006 -0.00001 0.00000 0.00001 0.00000 76 6 C 1S 0.99179 -0.02476 -0.00001 -0.00220 -0.00001 77 2S 0.02756 -0.00074 0.00000 -0.00017 0.00000 78 2PX -0.00016 0.00003 0.00000 0.00002 -0.00001 79 2PY 0.00014 -0.00001 0.00000 -0.00003 0.00000 80 2PZ 0.00004 -0.00001 0.00000 0.00000 0.00000 81 3S -0.01489 -0.00125 0.00021 0.00068 0.00025 82 3PX 0.00221 0.00057 -0.00012 -0.00025 -0.00014 83 3PY -0.00194 -0.00062 -0.00001 0.00034 -0.00008 84 3PZ -0.00054 -0.00012 0.00004 0.00001 0.00005 85 4XX -0.00177 0.00013 0.00000 -0.00002 0.00000 86 4YY -0.00165 0.00006 0.00000 0.00004 0.00000 87 4ZZ -0.00219 0.00007 0.00000 -0.00003 0.00000 88 4XY 0.00008 -0.00001 0.00000 -0.00002 0.00000 89 4XZ -0.00029 -0.00003 0.00000 0.00000 0.00000 90 4YZ -0.00020 0.00001 0.00000 -0.00001 0.00000 91 7 C 1S 0.06263 0.07019 0.00001 -0.02318 0.00000 92 2S 0.00147 0.00173 0.00000 -0.00070 -0.00001 93 2PX -0.00013 0.00011 0.00000 -0.00003 0.00000 94 2PY -0.00008 -0.00013 0.00000 0.00002 0.00000 95 2PZ 0.00007 -0.00003 -0.00001 0.00001 -0.00001 96 3S 0.00589 0.00448 -0.00015 -0.00113 -0.00004 97 3PX 0.00135 -0.00092 -0.00016 0.00014 -0.00031 98 3PY 0.00231 0.00203 -0.00020 -0.00052 -0.00024 99 3PZ -0.00105 0.00000 0.00015 0.00008 0.00025 100 4XX -0.00057 -0.00051 0.00000 0.00017 0.00001 101 4YY -0.00039 -0.00043 -0.00001 0.00019 -0.00001 102 4ZZ -0.00035 -0.00032 0.00000 0.00008 0.00000 103 4XY -0.00002 0.00012 0.00000 -0.00007 0.00000 104 4XZ 0.00014 0.00008 -0.00001 -0.00004 -0.00001 105 4YZ 0.00003 -0.00001 0.00001 0.00000 0.00001 106 8 C 1S 0.02031 0.96762 0.00009 -0.20092 0.00011 107 2S 0.00057 0.02689 0.00000 -0.00572 0.00000 108 2PX -0.00002 0.00019 -0.00002 -0.00009 -0.00002 109 2PY 0.00001 0.00011 -0.00002 -0.00018 -0.00003 110 2PZ 0.00000 -0.00012 0.00003 0.00010 0.00005 111 3S -0.00287 -0.01331 0.00016 0.00546 0.00014 112 3PX -0.00138 -0.00183 0.00044 0.00031 0.00059 113 3PY -0.00053 -0.00053 0.00050 0.00116 0.00093 114 3PZ 0.00070 0.00084 -0.00037 -0.00047 -0.00056 115 4XX 0.00004 -0.00178 0.00000 0.00018 0.00000 116 4YY -0.00001 -0.00159 0.00003 -0.00007 0.00005 117 4ZZ -0.00002 -0.00219 0.00001 0.00035 0.00002 118 4XY -0.00004 -0.00016 0.00001 0.00003 0.00003 119 4XZ -0.00003 -0.00022 0.00000 0.00009 -0.00001 120 4YZ 0.00001 -0.00010 -0.00001 0.00009 -0.00002 121 9 H 1S -0.00006 -0.00022 -0.00004 0.00000 -0.00011 122 2S -0.00026 0.00170 0.00066 -0.00051 0.00111 123 10 H 1S -0.00002 -0.00003 -0.00001 0.00000 -0.00002 124 2S 0.00052 0.00035 -0.00010 -0.00004 -0.00015 125 11 H 1S -0.00023 -0.00002 0.00000 0.00001 0.00000 126 2S 0.00129 -0.00015 0.00001 0.00013 0.00000 127 12 H 1S -0.00001 0.00003 0.00000 -0.00005 0.00000 128 2S 0.00052 0.00026 -0.00001 0.00008 -0.00001 129 13 H 1S -0.00005 -0.00004 0.00001 -0.00015 0.00002 130 2S -0.00029 -0.00015 0.00008 0.00076 0.00011 131 14 O 1S 0.00000 -0.00001 0.00001 0.00002 0.00000 132 2S -0.00002 -0.00007 0.00003 0.00003 0.00000 133 2PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 134 2PY 0.00000 0.00001 0.00000 0.00002 0.00001 135 2PZ 0.00000 -0.00001 0.00000 0.00003 0.00000 136 3S 0.00012 0.00030 -0.00023 -0.00063 -0.00004 137 3PX -0.00004 0.00006 0.00003 -0.00016 0.00002 138 3PY 0.00000 -0.00006 0.00002 0.00012 -0.00001 139 3PZ 0.00002 0.00003 -0.00006 -0.00002 -0.00005 140 4XX -0.00001 -0.00003 0.00002 0.00005 0.00000 141 4YY -0.00001 -0.00002 0.00002 0.00009 0.00000 142 4ZZ -0.00001 -0.00005 0.00001 0.00005 -0.00001 143 4XY 0.00000 -0.00003 0.00000 -0.00003 0.00000 144 4XZ 0.00000 0.00000 0.00000 -0.00006 0.00000 145 4YZ 0.00000 0.00000 0.00001 -0.00005 0.00001 146 15 C 1S -0.00002 0.00025 -0.03285 0.00004 -0.04206 147 2S 0.00000 -0.00006 -0.00106 -0.00001 -0.00131 148 2PX 0.00000 -0.00005 0.00006 -0.00002 0.00004 149 2PY 0.00000 0.00004 0.00007 0.00001 0.00010 150 2PZ 0.00000 0.00001 0.00002 0.00000 -0.00004 151 3S -0.00002 0.00093 0.00178 0.00016 0.00673 152 3PX -0.00001 0.00028 -0.00048 0.00006 -0.00180 153 3PY -0.00012 -0.00063 -0.00053 0.00002 -0.00218 154 3PZ 0.00009 0.00037 -0.00021 0.00005 -0.00059 155 4XX 0.00000 -0.00004 -0.00001 -0.00002 -0.00011 156 4YY 0.00001 0.00000 -0.00007 0.00000 -0.00029 157 4ZZ 0.00000 -0.00003 -0.00004 0.00000 -0.00015 158 4XY 0.00000 0.00002 -0.00002 0.00001 -0.00011 159 4XZ 0.00000 0.00002 -0.00001 0.00001 -0.00005 160 4YZ 0.00000 -0.00001 0.00006 0.00001 0.00013 161 16 C 1S 0.00002 -0.00009 0.46720 0.00015 0.75947 162 2S 0.00001 0.00007 0.01283 0.00000 0.02141 163 2PX 0.00000 0.00004 0.00012 -0.00001 -0.00006 164 2PY 0.00000 -0.00001 0.00013 0.00000 0.00011 165 2PZ 0.00000 -0.00001 0.00000 0.00000 -0.00024 166 3S -0.00011 -0.00066 -0.00214 -0.00005 -0.01431 167 3PX -0.00002 -0.00050 -0.00099 0.00001 0.00125 168 3PY -0.00005 -0.00048 -0.00074 -0.00002 -0.00136 169 3PZ 0.00002 0.00020 -0.00045 -0.00002 0.00295 170 4XX 0.00000 0.00001 -0.00115 0.00000 -0.00133 171 4YY 0.00000 0.00001 -0.00107 0.00000 -0.00116 172 4ZZ 0.00000 0.00002 -0.00111 0.00000 -0.00138 173 4XY 0.00000 -0.00001 0.00004 0.00000 0.00031 174 4XZ 0.00000 0.00001 0.00004 0.00000 0.00022 175 4YZ 0.00000 0.00002 -0.00007 0.00000 -0.00006 176 17 C 1S -0.00001 -0.00005 0.85275 -0.00012 -0.30918 177 2S 0.00000 -0.00001 0.02359 0.00000 -0.00872 178 2PX 0.00000 -0.00001 0.00002 0.00000 -0.00015 179 2PY 0.00000 0.00000 0.00011 0.00000 -0.00012 180 2PZ 0.00000 0.00000 -0.00005 0.00000 -0.00008 181 3S 0.00003 -0.00009 -0.00902 0.00001 0.00876 182 3PX 0.00000 -0.00002 -0.00011 -0.00001 0.00175 183 3PY 0.00002 0.00005 -0.00086 0.00002 0.00256 184 3PZ -0.00002 -0.00024 0.00045 -0.00001 -0.00002 185 4XX 0.00000 0.00001 -0.00185 0.00000 0.00041 186 4YY 0.00000 -0.00001 -0.00179 0.00000 0.00041 187 4ZZ 0.00000 -0.00001 -0.00175 0.00000 0.00038 188 4XY 0.00000 0.00000 0.00011 0.00000 -0.00015 189 4XZ 0.00000 -0.00001 0.00023 0.00000 -0.00024 190 4YZ 0.00000 -0.00001 -0.00013 0.00000 0.00001 191 18 C 1S 0.00000 0.00001 0.20155 -0.00001 -0.32387 192 2S 0.00000 0.00000 0.00538 0.00000 -0.00881 193 2PX 0.00000 0.00000 -0.00006 0.00000 0.00001 194 2PY 0.00000 0.00000 0.00004 0.00000 0.00003 195 2PZ 0.00000 -0.00001 -0.00011 0.00000 -0.00001 196 3S -0.00002 -0.00013 0.00146 -0.00003 -0.00204 197 3PX -0.00001 -0.00006 0.00085 0.00000 -0.00156 198 3PY 0.00001 0.00006 -0.00018 0.00000 -0.00116 199 3PZ -0.00002 -0.00004 0.00122 0.00001 -0.00098 200 4XX 0.00000 0.00000 -0.00059 0.00000 0.00088 201 4YY 0.00000 0.00000 -0.00064 0.00000 0.00088 202 4ZZ 0.00000 0.00000 -0.00067 0.00000 0.00092 203 4XY 0.00000 0.00000 0.00003 0.00000 -0.00002 204 4XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00008 0.00000 -0.00003 206 19 C 1S 0.00000 0.00000 0.06016 0.00001 -0.45154 207 2S 0.00000 0.00000 0.00155 0.00001 -0.01260 208 2PX 0.00000 -0.00001 0.00001 -0.00001 -0.00006 209 2PY 0.00000 0.00000 0.00005 0.00000 0.00001 210 2PZ 0.00000 0.00000 -0.00003 0.00000 -0.00007 211 3S 0.00002 0.00005 -0.00072 -0.00013 0.00714 212 3PX 0.00001 0.00007 -0.00024 -0.00005 0.00097 213 3PY 0.00002 0.00000 -0.00022 -0.00005 -0.00059 214 3PZ 0.00000 0.00000 -0.00014 -0.00005 0.00165 215 4XX 0.00000 0.00000 -0.00016 0.00000 0.00095 216 4YY 0.00000 0.00000 -0.00012 0.00000 0.00090 217 4ZZ 0.00000 0.00000 -0.00013 0.00000 0.00093 218 4XY 0.00000 0.00000 0.00001 0.00000 -0.00008 219 4XZ 0.00000 0.00000 0.00002 0.00000 -0.00008 220 4YZ 0.00000 0.00000 -0.00004 0.00000 0.00004 221 20 C 1S 0.00000 0.00005 0.00126 0.00006 -0.09202 222 2S 0.00000 0.00001 -0.00008 0.00001 -0.00239 223 2PX 0.00000 0.00001 0.00002 0.00002 -0.00007 224 2PY 0.00000 0.00000 0.00004 0.00000 -0.00004 225 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00004 226 3S 0.00007 0.00014 0.00004 0.00003 -0.00379 227 3PX 0.00004 0.00000 -0.00028 -0.00016 0.00101 228 3PY -0.00001 0.00005 -0.00016 -0.00008 0.00199 229 3PZ 0.00005 0.00015 -0.00022 -0.00007 -0.00031 230 4XX 0.00000 0.00001 -0.00001 0.00001 0.00035 231 4YY 0.00000 0.00000 0.00002 0.00001 0.00035 232 4ZZ 0.00000 0.00002 0.00001 0.00001 0.00039 233 4XY 0.00000 0.00001 0.00002 0.00001 0.00000 234 4XZ 0.00000 0.00000 0.00003 0.00000 0.00005 235 4YZ 0.00000 0.00000 -0.00003 0.00001 -0.00002 236 21 H 1S 0.00000 0.00000 0.00002 0.00002 -0.00001 237 2S 0.00001 0.00001 0.00010 0.00003 -0.00057 238 22 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00015 239 2S 0.00000 0.00001 0.00016 -0.00001 -0.00038 240 23 H 1S 0.00000 0.00000 -0.00006 0.00000 0.00005 241 2S 0.00000 0.00000 0.00054 0.00000 -0.00093 242 24 H 1S 0.00000 0.00001 -0.00019 0.00000 0.00009 243 2S 0.00001 0.00005 0.00137 0.00000 -0.00009 244 25 H 1S 0.00000 0.00010 -0.00007 -0.00002 -0.00010 245 2S 0.00000 -0.00026 0.00076 0.00007 0.00060 246 26 O 1S 0.00000 -0.00004 -0.00001 -0.00002 0.00001 247 2S -0.00002 -0.00014 -0.00004 -0.00008 0.00000 248 2PX 0.00000 -0.00006 0.00002 -0.00003 0.00001 249 2PY 0.00000 0.00002 -0.00001 -0.00001 -0.00002 250 2PZ 0.00000 0.00006 0.00002 0.00004 0.00001 251 3S 0.00012 0.00073 0.00007 0.00033 -0.00006 252 3PX -0.00002 0.00015 -0.00005 0.00009 -0.00002 253 3PY 0.00002 0.00002 0.00004 0.00004 0.00012 254 3PZ -0.00003 -0.00037 -0.00003 -0.00018 -0.00004 255 4XX -0.00001 -0.00014 -0.00002 -0.00007 0.00002 256 4YY -0.00001 -0.00015 -0.00003 -0.00008 -0.00001 257 4ZZ -0.00001 -0.00010 -0.00003 -0.00005 0.00002 258 4XY 0.00000 -0.00001 0.00002 -0.00001 0.00001 259 4XZ 0.00000 0.00001 0.00001 0.00000 0.00000 260 4YZ 0.00000 -0.00001 -0.00001 -0.00002 -0.00002 261 27 H 1S 0.00000 0.00007 -0.00003 0.00004 -0.00003 262 2S 0.00001 0.00011 0.00002 0.00005 0.00007 263 28 H 1S -0.00001 0.00000 0.00002 0.00001 0.00004 264 2S -0.00002 -0.00009 0.00003 0.00005 -0.00003 11 12 13 14 15 O O O O O Eigenvalues -- -11.24201 -11.24121 -11.24054 -11.23899 -11.23679 1 1 C 1S 0.00023 -0.00011 -0.00003 0.00031 -0.00001 2 2S -0.00008 -0.00007 -0.00002 0.00001 -0.00007 3 2PX 0.00000 0.00004 -0.00001 -0.00004 -0.00002 4 2PY -0.00001 0.00000 -0.00001 -0.00001 0.00002 5 2PZ -0.00001 0.00001 -0.00001 0.00000 0.00001 6 3S 0.00031 0.00107 0.00095 -0.00052 0.00034 7 3PX -0.00033 0.00018 -0.00008 -0.00037 0.00007 8 3PY 0.00011 -0.00028 -0.00027 -0.00009 -0.00012 9 3PZ -0.00034 -0.00017 -0.00005 0.00005 -0.00008 10 4XX 0.00002 -0.00001 0.00000 0.00007 -0.00001 11 4YY 0.00000 -0.00003 0.00001 0.00007 -0.00002 12 4ZZ 0.00001 -0.00001 0.00001 0.00005 -0.00001 13 4XY 0.00002 0.00000 0.00000 0.00002 0.00000 14 4XZ 0.00004 0.00004 0.00000 0.00008 0.00000 15 4YZ 0.00002 0.00001 -0.00001 0.00002 -0.00001 16 2 C 1S 0.00000 0.00216 0.00000 -0.00001 -0.00005 17 2S -0.00001 -0.00013 0.00003 -0.00015 -0.00003 18 2PX 0.00001 0.00003 -0.00002 0.00007 -0.00001 19 2PY -0.00001 -0.00005 -0.00001 0.00005 0.00000 20 2PZ 0.00000 -0.00002 -0.00002 0.00005 0.00000 21 3S -0.00001 -0.00159 -0.00023 0.00164 -0.00026 22 3PX -0.00017 0.00005 0.00008 -0.00039 0.00002 23 3PY 0.00010 0.00035 0.00010 -0.00001 -0.00018 24 3PZ 0.00003 -0.00003 -0.00003 -0.00019 0.00003 25 4XX -0.00001 0.00035 0.00001 -0.00006 -0.00005 26 4YY 0.00000 0.00027 0.00002 -0.00005 -0.00002 27 4ZZ 0.00001 0.00008 0.00001 -0.00006 -0.00002 28 4XY 0.00001 -0.00018 0.00000 -0.00003 0.00000 29 4XZ 0.00000 -0.00008 0.00001 -0.00003 0.00001 30 4YZ -0.00001 0.00001 0.00001 -0.00005 0.00001 31 3 C 1S -0.00005 -0.55064 0.00001 -0.00011 0.00772 32 2S 0.00002 -0.01562 0.00000 0.00004 0.00025 33 2PX -0.00001 -0.00007 0.00000 -0.00002 -0.00002 34 2PY -0.00001 -0.00002 0.00000 0.00000 -0.00002 35 2PZ -0.00001 0.00005 0.00000 -0.00001 0.00001 36 3S -0.00034 0.01427 0.00008 -0.00029 -0.00335 37 3PX -0.00004 0.00272 -0.00004 0.00042 -0.00076 38 3PY 0.00051 -0.00165 0.00005 -0.00018 0.00151 39 3PZ -0.00002 -0.00092 -0.00001 0.00004 0.00001 40 4XX 0.00001 0.00056 0.00000 0.00000 0.00005 41 4YY -0.00002 0.00051 -0.00001 0.00001 0.00014 42 4ZZ 0.00001 0.00097 0.00000 0.00003 0.00003 43 4XY 0.00000 -0.00008 0.00000 0.00001 -0.00001 44 4XZ 0.00000 0.00029 0.00000 -0.00001 -0.00001 45 4YZ 0.00000 0.00020 0.00000 0.00001 -0.00002 46 4 C 1S -0.00013 0.81881 -0.00004 0.00007 0.00816 47 2S 0.00000 0.02288 0.00000 0.00001 0.00010 48 2PX 0.00000 -0.00013 0.00000 0.00001 0.00002 49 2PY 0.00000 -0.00030 0.00000 0.00000 0.00002 50 2PZ 0.00000 0.00016 0.00000 0.00000 -0.00001 51 3S 0.00004 -0.01527 -0.00001 -0.00015 0.00191 52 3PX 0.00012 0.00120 0.00004 -0.00005 0.00004 53 3PY -0.00015 0.00332 -0.00002 0.00016 -0.00141 54 3PZ -0.00005 -0.00125 -0.00001 -0.00007 0.00030 55 4XX 0.00000 -0.00108 0.00000 0.00000 -0.00002 56 4YY 0.00000 -0.00130 0.00000 0.00000 -0.00003 57 4ZZ 0.00000 -0.00171 0.00000 0.00000 -0.00007 58 4XY 0.00000 -0.00009 0.00000 0.00000 -0.00002 59 4XZ 0.00000 -0.00037 0.00000 0.00001 -0.00002 60 4YZ 0.00000 -0.00011 0.00000 0.00001 -0.00001 61 5 C 1S -0.00001 0.09668 -0.00001 0.00003 -0.05572 62 2S 0.00000 0.00248 0.00000 0.00000 -0.00153 63 2PX 0.00000 0.00013 0.00000 -0.00001 0.00002 64 2PY 0.00000 -0.00008 0.00000 0.00000 0.00002 65 2PZ 0.00000 -0.00003 0.00000 0.00000 -0.00001 66 3S -0.00011 0.00516 -0.00001 0.00010 -0.00247 67 3PX 0.00007 -0.00264 0.00000 -0.00003 0.00129 68 3PY -0.00007 0.00001 -0.00003 0.00003 0.00050 69 3PZ 0.00000 0.00110 0.00001 0.00002 -0.00065 70 4XX 0.00000 -0.00054 0.00000 0.00000 0.00017 71 4YY 0.00000 -0.00053 0.00000 0.00000 0.00022 72 4ZZ 0.00000 -0.00038 0.00000 0.00000 0.00018 73 4XY 0.00000 0.00014 0.00000 0.00000 0.00004 74 4XZ 0.00000 0.00006 0.00000 0.00000 -0.00001 75 4YZ 0.00000 -0.00001 0.00000 0.00000 -0.00003 76 6 C 1S -0.00001 -0.01293 0.00000 -0.00001 -0.05832 77 2S 0.00000 -0.00031 0.00000 0.00000 -0.00187 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00018 79 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00008 81 3S 0.00013 -0.00280 -0.00003 0.00002 0.00732 82 3PX -0.00008 0.00131 0.00001 0.00000 -0.00289 83 3PY -0.00005 -0.00099 -0.00002 0.00000 0.00093 84 3PZ 0.00003 -0.00035 0.00000 -0.00001 0.00103 85 4XX 0.00000 0.00005 0.00000 0.00000 -0.00029 86 4YY 0.00000 0.00008 0.00000 0.00000 -0.00022 87 4ZZ 0.00000 0.00006 0.00000 0.00000 -0.00008 88 4XY 0.00000 -0.00003 0.00000 0.00000 -0.00011 89 4XZ 0.00000 0.00002 0.00000 0.00000 0.00016 90 4YZ 0.00000 0.00001 0.00000 0.00000 0.00009 91 7 C 1S 0.00000 0.00922 0.00000 0.00001 0.98951 92 2S 0.00000 0.00011 0.00000 0.00001 0.02769 93 2PX 0.00000 0.00001 0.00000 0.00000 0.00003 94 2PY 0.00000 -0.00004 0.00000 0.00000 0.00028 95 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00008 96 3S 0.00001 0.00318 0.00004 0.00001 -0.01628 97 3PX -0.00019 0.00022 -0.00001 -0.00002 -0.00035 98 3PY -0.00014 0.00185 0.00002 -0.00004 -0.00346 99 3PZ 0.00014 -0.00049 0.00001 0.00002 0.00086 100 4XX 0.00000 -0.00009 0.00000 0.00000 -0.00154 101 4YY -0.00001 -0.00012 0.00000 0.00000 -0.00176 102 4ZZ 0.00000 -0.00009 0.00000 0.00000 -0.00215 103 4XY 0.00000 0.00004 0.00000 0.00000 -0.00011 104 4XZ -0.00001 -0.00001 0.00000 0.00000 -0.00034 105 4YZ 0.00001 -0.00002 0.00000 0.00000 -0.00008 106 8 C 1S 0.00005 0.09266 0.00000 -0.00001 -0.07588 107 2S 0.00000 0.00268 0.00000 -0.00001 -0.00240 108 2PX -0.00001 0.00004 0.00000 -0.00001 -0.00019 109 2PY -0.00002 0.00010 0.00000 0.00000 0.00009 110 2PZ 0.00003 -0.00005 0.00000 0.00000 0.00006 111 3S 0.00005 -0.00658 -0.00006 0.00001 0.00829 112 3PX 0.00028 -0.00173 0.00001 -0.00008 0.00300 113 3PY 0.00054 -0.00168 0.00004 0.00002 -0.00001 114 3PZ -0.00030 0.00112 -0.00002 -0.00001 -0.00128 115 4XX 0.00000 0.00001 0.00000 0.00000 -0.00022 116 4YY 0.00003 0.00023 0.00000 0.00001 -0.00031 117 4ZZ 0.00001 -0.00010 0.00000 0.00001 -0.00001 118 4XY 0.00001 0.00001 0.00000 -0.00002 0.00016 119 4XZ 0.00000 -0.00008 0.00000 0.00000 0.00009 120 4YZ -0.00001 -0.00009 0.00000 0.00000 0.00001 121 9 H 1S -0.00006 -0.00003 -0.00002 0.00001 0.00002 122 2S 0.00061 -0.00018 0.00007 -0.00003 0.00028 123 10 H 1S -0.00001 0.00006 0.00000 0.00000 -0.00022 124 2S -0.00009 0.00044 0.00000 -0.00002 0.00117 125 11 H 1S 0.00000 -0.00005 0.00000 0.00000 0.00002 126 2S 0.00000 -0.00034 0.00000 0.00000 0.00037 127 12 H 1S 0.00000 0.00001 0.00000 0.00000 -0.00002 128 2S 0.00000 0.00061 0.00001 0.00000 -0.00034 129 13 H 1S 0.00001 -0.00016 0.00000 -0.00001 0.00005 130 2S 0.00004 0.00089 0.00000 -0.00007 0.00040 131 14 O 1S 0.00000 -0.00001 0.00000 0.00004 0.00000 132 2S 0.00003 -0.00003 0.00000 0.00016 -0.00002 133 2PX 0.00000 0.00001 0.00000 -0.00002 0.00000 134 2PY 0.00000 0.00002 0.00000 -0.00001 0.00000 135 2PZ 0.00001 -0.00001 0.00000 0.00000 0.00000 136 3S -0.00014 0.00029 0.00000 -0.00093 0.00017 137 3PX 0.00003 -0.00004 -0.00002 0.00017 -0.00003 138 3PY 0.00003 -0.00010 0.00001 0.00026 -0.00002 139 3PZ -0.00005 0.00003 -0.00001 -0.00007 0.00005 140 4XX 0.00001 -0.00005 0.00000 0.00010 -0.00002 141 4YY 0.00001 -0.00005 0.00000 0.00008 -0.00001 142 4ZZ 0.00001 -0.00005 0.00000 0.00011 -0.00001 143 4XY 0.00000 0.00002 0.00000 -0.00003 0.00000 144 4XZ 0.00001 0.00002 0.00000 0.00000 0.00000 145 4YZ 0.00001 0.00003 0.00000 0.00000 -0.00001 146 15 C 1S -0.03489 0.00001 0.00513 -0.04415 0.00000 147 2S -0.00113 0.00000 0.00000 -0.00143 0.00000 148 2PX 0.00008 0.00000 0.00002 0.00014 0.00000 149 2PY 0.00009 -0.00001 0.00003 -0.00001 0.00001 150 2PZ 0.00001 0.00000 0.00000 0.00015 0.00000 151 3S 0.00389 -0.00016 0.00322 0.00808 -0.00008 152 3PX -0.00122 -0.00025 -0.00168 -0.00254 -0.00011 153 3PY -0.00178 -0.00006 -0.00122 -0.00085 -0.00011 154 3PZ -0.00016 -0.00022 -0.00112 -0.00239 -0.00002 155 4XX -0.00005 -0.00001 -0.00006 -0.00015 -0.00001 156 4YY -0.00018 -0.00002 -0.00004 -0.00024 0.00000 157 4ZZ -0.00008 -0.00001 -0.00003 -0.00033 -0.00001 158 4XY -0.00007 -0.00001 0.00000 -0.00001 0.00000 159 4XZ -0.00001 -0.00002 0.00002 -0.00016 0.00000 160 4YZ 0.00009 0.00000 -0.00003 0.00018 0.00000 161 16 C 1S 0.43430 0.00009 0.06130 0.00917 0.00000 162 2S 0.01216 0.00000 0.00186 0.00031 0.00000 163 2PX -0.00004 0.00000 -0.00003 -0.00001 -0.00001 164 2PY 0.00003 0.00000 0.00000 0.00000 0.00000 165 2PZ -0.00012 0.00000 -0.00005 0.00001 0.00000 166 3S -0.00922 -0.00002 -0.00553 -0.00393 -0.00006 167 3PX 0.00073 0.00006 0.00129 0.00079 0.00004 168 3PY -0.00090 0.00002 -0.00077 -0.00102 -0.00003 169 3PZ 0.00178 0.00007 0.00223 0.00169 0.00004 170 4XX -0.00070 0.00000 0.00004 0.00004 0.00000 171 4YY -0.00059 0.00000 0.00000 0.00010 0.00000 172 4ZZ -0.00073 0.00000 0.00001 0.00007 0.00000 173 4XY 0.00024 0.00000 0.00007 0.00002 0.00000 174 4XZ 0.00020 0.00000 0.00008 0.00001 0.00000 175 4YZ -0.00004 0.00000 0.00003 -0.00004 0.00000 176 17 C 1S -0.34743 -0.00004 -0.21869 -0.00941 0.00000 177 2S -0.00988 0.00000 -0.00633 -0.00044 0.00000 178 2PX -0.00008 0.00000 0.00001 -0.00001 0.00000 179 2PY -0.00017 0.00000 -0.00015 -0.00004 0.00000 180 2PZ 0.00005 0.00000 0.00013 0.00002 0.00000 181 3S 0.00815 0.00007 0.01061 0.00374 0.00004 182 3PX 0.00081 0.00001 0.00055 0.00054 0.00000 183 3PY 0.00194 0.00001 0.00330 0.00187 0.00002 184 3PZ -0.00061 0.00001 -0.00193 -0.00077 0.00000 185 4XX 0.00048 0.00000 0.00014 -0.00006 0.00000 186 4YY 0.00052 0.00000 0.00014 -0.00005 0.00000 187 4ZZ 0.00044 0.00000 -0.00002 -0.00006 0.00000 188 4XY -0.00013 0.00000 -0.00006 0.00001 0.00000 189 4XZ -0.00025 0.00000 -0.00028 0.00000 0.00000 190 4YZ 0.00001 0.00000 0.00014 0.00001 0.00000 191 18 C 1S 0.22271 0.00003 0.88946 0.07179 0.00000 192 2S 0.00612 0.00000 0.02496 0.00208 0.00000 193 2PX 0.00000 0.00000 0.00022 0.00002 0.00000 194 2PY -0.00011 0.00000 0.00016 0.00003 0.00000 195 2PZ 0.00008 0.00000 0.00014 0.00001 0.00000 196 3S -0.00243 -0.00003 -0.01755 -0.00554 -0.00001 197 3PX -0.00045 -0.00002 -0.00317 -0.00172 -0.00001 198 3PY 0.00084 -0.00002 -0.00229 -0.00137 0.00000 199 3PZ -0.00118 -0.00002 -0.00212 -0.00104 -0.00001 200 4XX -0.00051 0.00000 -0.00169 -0.00004 0.00000 201 4YY -0.00058 0.00000 -0.00131 0.00008 0.00000 202 4ZZ -0.00045 0.00000 -0.00144 -0.00003 0.00000 203 4XY -0.00002 0.00000 0.00019 0.00008 0.00000 204 4XZ 0.00010 0.00000 0.00027 0.00003 0.00000 205 4YZ -0.00001 0.00000 -0.00038 -0.00007 0.00000 206 19 C 1S 0.77939 0.00004 -0.35581 -0.22324 0.00000 207 2S 0.02155 0.00000 -0.01013 -0.00650 0.00000 208 2PX 0.00005 0.00001 0.00001 -0.00016 0.00000 209 2PY -0.00006 0.00000 0.00018 -0.00001 0.00000 210 2PZ 0.00012 0.00000 -0.00014 -0.00018 0.00000 211 3S -0.00753 0.00017 0.01150 0.01047 0.00004 212 3PX -0.00016 0.00004 0.00077 0.00211 0.00001 213 3PY 0.00006 0.00002 -0.00251 -0.00071 0.00002 214 3PZ -0.00027 0.00007 0.00293 0.00310 0.00000 215 4XX -0.00165 0.00000 0.00050 0.00008 0.00000 216 4YY -0.00151 0.00000 0.00023 0.00000 0.00000 217 4ZZ -0.00165 0.00000 0.00051 0.00015 0.00000 218 4XY 0.00023 0.00000 -0.00024 -0.00027 0.00000 219 4XZ 0.00019 0.00000 -0.00010 -0.00020 0.00000 220 4YZ -0.00008 0.00000 0.00013 0.00000 0.00000 221 20 C 1S 0.15402 -0.00012 -0.15029 0.96675 -0.00001 222 2S 0.00413 0.00000 -0.00403 0.02709 0.00000 223 2PX 0.00010 -0.00002 -0.00004 -0.00005 0.00000 224 2PY 0.00005 0.00000 0.00000 -0.00032 0.00000 225 2PZ 0.00009 0.00000 -0.00005 0.00014 0.00000 226 3S 0.00036 -0.00018 -0.00359 -0.01707 -0.00001 227 3PX -0.00054 0.00014 0.00112 0.00123 0.00005 228 3PY -0.00007 0.00016 0.00228 0.00361 0.00003 229 3PZ -0.00060 -0.00002 -0.00043 -0.00119 0.00003 230 4XX -0.00050 -0.00001 0.00048 -0.00174 0.00000 231 4YY -0.00044 -0.00001 0.00046 -0.00174 0.00000 232 4ZZ -0.00046 -0.00001 0.00043 -0.00162 0.00000 233 4XY -0.00005 -0.00001 0.00005 0.00025 0.00000 234 4XZ -0.00006 0.00000 0.00001 0.00047 0.00000 235 4YZ -0.00005 -0.00001 0.00004 -0.00012 0.00000 236 21 H 1S -0.00008 -0.00002 -0.00003 -0.00020 0.00000 237 2S 0.00015 -0.00007 -0.00072 0.00107 -0.00001 238 22 H 1S -0.00014 0.00000 0.00009 0.00006 0.00000 239 2S 0.00137 0.00001 -0.00003 0.00019 0.00000 240 23 H 1S -0.00007 0.00000 -0.00021 -0.00005 0.00000 241 2S 0.00031 -0.00001 0.00086 -0.00026 0.00000 242 24 H 1S 0.00007 0.00000 0.00006 0.00006 0.00000 243 2S -0.00023 -0.00001 0.00018 0.00044 0.00000 244 25 H 1S -0.00004 0.00000 -0.00007 -0.00004 0.00000 245 2S 0.00046 -0.00004 -0.00039 -0.00039 -0.00003 246 26 O 1S -0.00001 0.00002 0.00001 -0.00003 0.00001 247 2S -0.00004 0.00008 0.00005 -0.00011 0.00002 248 2PX 0.00000 0.00003 0.00000 0.00000 0.00001 249 2PY -0.00002 0.00000 -0.00001 0.00000 0.00000 250 2PZ 0.00001 -0.00003 -0.00001 0.00001 0.00000 251 3S 0.00022 -0.00044 -0.00030 0.00055 -0.00012 252 3PX -0.00001 -0.00005 0.00005 -0.00005 0.00000 253 3PY 0.00012 -0.00005 -0.00001 0.00003 -0.00002 254 3PZ -0.00009 0.00021 0.00009 -0.00018 0.00005 255 4XX -0.00001 0.00008 0.00004 -0.00008 0.00002 256 4YY -0.00002 0.00007 0.00003 -0.00009 0.00002 257 4ZZ -0.00001 0.00005 0.00002 -0.00006 0.00001 258 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 259 4XZ 0.00000 -0.00001 0.00000 0.00001 0.00000 260 4YZ -0.00001 0.00001 0.00000 0.00000 0.00001 261 27 H 1S -0.00002 -0.00004 0.00001 0.00000 0.00000 262 2S 0.00005 -0.00002 -0.00001 -0.00002 0.00000 263 28 H 1S -0.00002 -0.00002 0.00001 -0.00001 0.00000 264 2S -0.00005 0.00004 0.00000 0.00013 0.00006 16 17 18 19 20 O O O O O Eigenvalues -- -11.23612 -1.38800 -1.36889 -1.15687 -1.15236 1 1 C 1S 0.00001 -0.06809 0.02852 -0.03121 0.00475 2 2S -0.00001 0.13107 -0.05301 0.05647 -0.00911 3 2PX 0.00001 0.03305 -0.00251 -0.02650 0.01472 4 2PY 0.00000 -0.02945 0.03680 -0.01142 0.00106 5 2PZ 0.00000 0.04807 -0.06307 -0.03573 0.00231 6 3S 0.00021 0.01427 -0.01238 0.06613 -0.00375 7 3PX 0.00004 -0.00876 0.00497 -0.00299 0.00175 8 3PY 0.00009 0.01490 0.00639 -0.00905 0.00328 9 3PZ -0.00010 -0.00009 -0.00345 -0.01024 -0.00292 10 4XX 0.00000 -0.00049 0.00488 0.00326 0.00006 11 4YY 0.00000 0.00145 -0.00053 0.00056 -0.00072 12 4ZZ 0.00000 0.01281 -0.00652 -0.00155 -0.00011 13 4XY 0.00001 -0.00298 0.00512 0.00372 -0.00101 14 4XZ 0.00000 0.00384 -0.00887 0.00139 -0.00132 15 4YZ 0.00000 -0.01093 0.00651 0.00450 -0.00058 16 2 C 1S -0.00006 -0.07575 -0.08506 -0.01011 -0.01489 17 2S -0.00002 0.14365 0.16258 0.02267 0.02955 18 2PX -0.00001 -0.01104 0.00912 -0.00604 0.03287 19 2PY 0.00000 0.07240 0.12204 -0.03077 -0.04707 20 2PZ 0.00001 -0.03167 -0.07890 0.01433 0.00528 21 3S -0.00022 0.05773 0.03524 0.00814 0.02980 22 3PX 0.00025 -0.01065 0.00066 0.00532 0.01202 23 3PY 0.00012 -0.03024 -0.02810 0.00260 -0.01524 24 3PZ -0.00020 0.02475 0.01205 -0.00412 -0.00015 25 4XX -0.00001 -0.00656 -0.01320 0.00376 0.00373 26 4YY -0.00004 0.01008 0.01491 -0.00139 -0.00010 27 4ZZ -0.00001 -0.00115 -0.00558 -0.00048 -0.00188 28 4XY 0.00000 0.00057 -0.00086 -0.00104 -0.00506 29 4XZ 0.00000 -0.00399 0.00190 -0.00198 -0.00143 30 4YZ 0.00001 -0.01430 -0.01741 0.00176 0.00280 31 3 C 1S 0.01129 -0.01512 -0.01423 -0.03073 -0.09493 32 2S 0.00038 0.02865 0.02798 0.05839 0.18174 33 2PX 0.00002 -0.01264 -0.01049 0.00598 0.03436 34 2PY 0.00003 0.01320 0.01780 -0.01014 -0.03177 35 2PZ -0.00002 0.00180 -0.00247 -0.00101 -0.00872 36 3S -0.00410 0.00405 0.00544 0.04356 0.10886 37 3PX -0.00178 0.00880 0.00540 -0.00073 0.01432 38 3PY 0.00066 0.01283 0.01169 -0.00730 -0.01387 39 3PZ 0.00068 -0.00986 -0.00839 0.00141 -0.00293 40 4XX 0.00013 0.00203 0.00239 0.00174 0.00385 41 4YY 0.00008 0.00256 0.00352 0.00199 0.00633 42 4ZZ 0.00005 -0.00100 -0.00130 -0.00172 -0.00498 43 4XY 0.00001 -0.00311 -0.00371 0.00021 0.00110 44 4XZ -0.00006 -0.00071 0.00000 -0.00203 -0.00600 45 4YZ -0.00002 -0.00005 -0.00010 -0.00111 -0.00381 46 4 C 1S -0.11068 -0.00473 -0.00594 -0.02502 -0.08735 47 2S -0.00340 0.00906 0.01128 0.04796 0.16676 48 2PX -0.00012 -0.00515 -0.00680 -0.00373 -0.00967 49 2PY 0.00020 0.00019 0.00092 -0.01563 -0.05350 50 2PZ 0.00000 0.00198 0.00197 0.00505 0.01615 51 3S 0.00923 -0.00683 -0.00157 0.03172 0.10257 52 3PX 0.00065 0.00050 0.00146 0.00119 0.00015 53 3PY -0.00352 0.00349 0.00036 -0.00202 -0.00301 54 3PZ 0.00050 -0.00057 0.00027 0.00039 0.00111 55 4XX -0.00025 0.00072 0.00107 0.00164 0.00579 56 4YY -0.00014 0.00009 0.00029 0.00130 0.00475 57 4ZZ 0.00005 -0.00018 -0.00026 -0.00142 -0.00513 58 4XY 0.00013 -0.00011 -0.00029 -0.00042 -0.00168 59 4XZ 0.00014 -0.00053 -0.00060 -0.00185 -0.00648 60 4YZ 0.00000 -0.00020 -0.00020 -0.00071 -0.00252 61 5 C 1S 0.98632 -0.00097 -0.00111 -0.02358 -0.08423 62 2S 0.02762 0.00155 0.00215 0.04492 0.15986 63 2PX -0.00026 -0.00110 -0.00121 -0.01363 -0.04765 64 2PY -0.00011 0.00052 0.00064 -0.00450 -0.01645 65 2PZ 0.00013 0.00032 0.00032 0.00663 0.02333 66 3S -0.01690 0.00418 -0.00005 0.02553 0.10294 67 3PX 0.00337 -0.00214 -0.00005 -0.00071 -0.00545 68 3PY 0.00118 0.00043 0.00028 -0.00087 -0.00297 69 3PZ -0.00164 0.00060 -0.00034 0.00036 0.00269 70 4XX -0.00175 0.00011 0.00008 0.00105 0.00366 71 4YY -0.00145 0.00002 -0.00003 0.00185 0.00677 72 4ZZ -0.00217 -0.00012 -0.00008 -0.00145 -0.00523 73 4XY -0.00018 -0.00013 -0.00009 -0.00061 -0.00216 74 4XZ -0.00022 -0.00008 -0.00003 -0.00137 -0.00493 75 4YZ -0.00013 0.00001 -0.00002 -0.00071 -0.00259 76 6 C 1S -0.06002 -0.00052 -0.00051 -0.02368 -0.08416 77 2S -0.00194 0.00105 0.00089 0.04508 0.16070 78 2PX 0.00005 -0.00054 -0.00040 -0.01185 -0.04092 79 2PY -0.00018 0.00024 0.00029 0.00979 0.03532 80 2PZ 0.00002 0.00014 0.00009 0.00295 0.00991 81 3S 0.00822 0.00075 0.00194 0.02796 0.10029 82 3PX -0.00180 0.00007 -0.00108 -0.00162 -0.00415 83 3PY 0.00300 0.00042 0.00196 0.00253 0.00250 84 3PZ 0.00013 0.00035 0.00016 0.00016 0.00125 85 4XX -0.00020 0.00003 0.00004 0.00117 0.00406 86 4YY -0.00042 0.00000 0.00003 0.00168 0.00602 87 4ZZ -0.00008 0.00000 -0.00005 -0.00142 -0.00496 88 4XY -0.00008 0.00000 0.00003 0.00004 0.00012 89 4XZ 0.00010 -0.00007 -0.00005 -0.00164 -0.00572 90 4YZ 0.00013 -0.00002 -0.00002 -0.00094 -0.00335 91 7 C 1S 0.05269 -0.00087 -0.00046 -0.02476 -0.08519 92 2S 0.00151 0.00219 0.00173 0.04732 0.16122 93 2PX -0.00001 -0.00036 0.00004 0.00022 0.00415 94 2PY 0.00001 0.00094 0.00047 0.01590 0.05386 95 2PZ 0.00000 0.00010 -0.00025 -0.00347 -0.01293 96 3S -0.00433 -0.00340 -0.01071 0.02607 0.10845 97 3PX -0.00021 0.00047 0.00375 0.00311 -0.00134 98 3PY -0.00191 -0.00356 -0.00537 0.00113 0.00903 99 3PZ 0.00049 -0.00065 -0.00017 -0.00134 -0.00117 100 4XX 0.00003 0.00007 -0.00011 0.00153 0.00551 101 4YY 0.00000 -0.00004 -0.00005 0.00142 0.00482 102 4ZZ -0.00005 0.00001 0.00005 -0.00141 -0.00505 103 4XY 0.00004 0.00005 0.00017 -0.00054 -0.00184 104 4XZ -0.00006 0.00002 0.00006 -0.00168 -0.00607 105 4YZ -0.00003 -0.00007 -0.00003 -0.00061 -0.00216 106 8 C 1S -0.00339 -0.00458 -0.00141 -0.02837 -0.08878 107 2S -0.00025 0.00796 0.00361 0.05419 0.17008 108 2PX -0.00004 -0.00187 0.00036 0.01160 0.04640 109 2PY -0.00002 0.00497 0.00341 0.00857 0.02204 110 2PZ 0.00002 -0.00017 -0.00140 -0.00717 -0.02453 111 3S 0.00291 0.01883 0.01477 0.03296 0.09934 112 3PX 0.00169 0.00425 0.00921 0.00121 -0.00181 113 3PY 0.00031 0.00536 -0.00325 -0.00630 0.00287 114 3PZ -0.00080 0.00022 -0.00375 -0.00009 -0.00055 115 4XX -0.00005 -0.00001 0.00005 0.00147 0.00365 116 4YY -0.00006 0.00071 0.00046 0.00235 0.00759 117 4ZZ -0.00006 -0.00028 -0.00009 -0.00185 -0.00562 118 4XY 0.00000 -0.00034 -0.00023 -0.00079 -0.00210 119 4XZ -0.00001 -0.00032 0.00028 -0.00168 -0.00536 120 4YZ 0.00000 0.00009 -0.00003 -0.00091 -0.00290 121 9 H 1S 0.00006 0.00380 -0.00037 0.01307 0.03350 122 2S 0.00048 0.00324 0.00016 -0.00199 0.00021 123 10 H 1S -0.00005 0.00016 0.00013 0.00933 0.03182 124 2S -0.00023 -0.00103 -0.00103 0.00116 0.00367 125 11 H 1S 0.00002 0.00012 0.00023 0.00892 0.03172 126 2S 0.00042 0.00001 0.00055 0.00128 0.00278 127 12 H 1S -0.00023 0.00025 0.00032 0.00868 0.03129 128 2S 0.00110 0.00033 -0.00020 0.00068 0.00293 129 13 H 1S 0.00004 0.00283 0.00416 0.00900 0.03232 130 2S 0.00031 0.00130 0.00304 -0.00037 0.00042 131 14 O 1S 0.00000 -0.10996 -0.15946 0.01783 0.02003 132 2S -0.00002 0.23966 0.34805 -0.03863 -0.04527 133 2PX -0.00001 -0.00211 -0.00020 -0.00215 0.00854 134 2PY 0.00000 -0.06570 -0.09217 0.00245 0.00079 135 2PZ 0.00000 0.03912 0.05198 -0.00266 -0.00544 136 3S 0.00000 0.23907 0.34623 -0.04717 -0.04427 137 3PX 0.00002 0.00124 -0.00091 -0.00193 0.00215 138 3PY 0.00000 -0.03099 -0.04333 0.00271 0.00086 139 3PZ 0.00001 0.01717 0.02605 -0.00198 -0.00089 140 4XX 0.00000 -0.00244 -0.00321 0.00050 -0.00028 141 4YY -0.00001 0.00652 0.00983 -0.00010 -0.00056 142 4ZZ -0.00002 0.00052 0.00072 0.00020 -0.00055 143 4XY 0.00000 0.00021 0.00008 0.00040 -0.00056 144 4XZ -0.00001 0.00016 0.00002 -0.00004 0.00048 145 4YZ -0.00001 -0.00609 -0.00904 0.00063 0.00061 146 15 C 1S 0.00000 -0.01581 0.00605 -0.09995 0.02889 147 2S -0.00001 0.03029 -0.01038 0.19020 -0.05412 148 2PX 0.00000 0.01413 -0.00492 -0.03095 0.01330 149 2PY 0.00000 0.00631 -0.00007 -0.02044 0.00733 150 2PZ 0.00000 0.01122 -0.00835 -0.02373 0.00791 151 3S 0.00004 0.01119 -0.01412 0.11728 -0.03903 152 3PX 0.00001 0.01521 -0.00273 -0.00942 -0.00033 153 3PY -0.00010 0.00620 -0.00216 0.00022 -0.00379 154 3PZ 0.00006 0.01312 0.00112 -0.01253 0.00441 155 4XX 0.00000 0.00229 -0.00094 -0.00156 0.00092 156 4YY 0.00000 0.00053 -0.00021 0.00421 -0.00121 157 4ZZ 0.00000 0.00118 -0.00070 0.00201 -0.00060 158 4XY 0.00000 0.00243 -0.00080 0.00479 -0.00136 159 4XZ 0.00000 0.00317 -0.00150 0.00591 -0.00182 160 4YZ 0.00000 0.00099 -0.00054 -0.00590 0.00187 161 16 C 1S 0.00000 -0.00572 0.00329 -0.08832 0.02733 162 2S 0.00001 0.00973 -0.00639 0.16667 -0.05188 163 2PX 0.00000 0.00408 -0.00258 -0.01741 0.00676 164 2PY 0.00000 0.00524 -0.00288 0.02908 -0.00812 165 2PZ 0.00000 0.00066 -0.00110 -0.04439 0.01407 166 3S -0.00008 0.01306 -0.00335 0.11283 -0.03661 167 3PX -0.00003 -0.00439 0.00277 0.00014 0.00224 168 3PY -0.00005 0.00431 -0.00027 0.00482 -0.00231 169 3PZ 0.00004 -0.00738 0.00157 -0.00419 0.00191 170 4XX 0.00000 0.00018 -0.00032 -0.00036 0.00008 171 4YY 0.00000 0.00066 -0.00046 0.00496 -0.00161 172 4ZZ 0.00000 0.00008 -0.00016 0.00077 -0.00037 173 4XY 0.00000 0.00080 -0.00042 0.00637 -0.00193 174 4XZ 0.00000 0.00052 -0.00043 0.00576 -0.00197 175 4YZ 0.00000 -0.00022 -0.00017 -0.00378 0.00106 176 17 C 1S 0.00000 -0.00102 0.00054 -0.08142 0.02673 177 2S 0.00000 0.00233 -0.00134 0.15516 -0.05092 178 2PX 0.00000 0.00071 -0.00043 0.01875 -0.00548 179 2PY 0.00000 0.00079 -0.00045 0.04803 -0.01553 180 2PZ 0.00000 0.00033 -0.00030 -0.01461 0.00524 181 3S 0.00000 -0.00703 0.00279 0.09616 -0.03080 182 3PX 0.00001 -0.00162 0.00084 0.00174 -0.00071 183 3PY 0.00001 -0.00405 0.00165 0.00381 -0.00087 184 3PZ -0.00002 0.00065 0.00067 -0.00051 0.00056 185 4XX 0.00000 -0.00001 0.00001 0.00016 -0.00001 186 4YY 0.00000 -0.00006 0.00003 0.00252 -0.00079 187 4ZZ 0.00000 -0.00004 0.00000 0.00234 -0.00077 188 4XY 0.00000 0.00000 0.00003 0.00463 -0.00146 189 4XZ 0.00000 0.00003 0.00004 0.00700 -0.00227 190 4YZ 0.00000 -0.00003 0.00004 -0.00314 0.00112 191 18 C 1S 0.00000 -0.00059 0.00021 -0.07907 0.02642 192 2S 0.00000 0.00076 -0.00040 0.15010 -0.05015 193 2PX 0.00000 0.00035 -0.00015 0.03767 -0.01236 194 2PY 0.00000 0.00021 0.00000 0.02531 -0.00830 195 2PZ 0.00000 0.00026 -0.00013 0.02678 -0.00875 196 3S 0.00000 0.00509 0.00037 0.09550 -0.03182 197 3PX 0.00000 0.00289 -0.00070 0.00495 -0.00147 198 3PY 0.00001 0.00156 -0.00020 0.00254 -0.00073 199 3PZ 0.00000 0.00236 -0.00142 0.00419 -0.00161 200 4XX 0.00000 -0.00007 0.00001 -0.00097 0.00034 201 4YY 0.00000 0.00001 -0.00002 0.00379 -0.00125 202 4ZZ 0.00000 0.00002 -0.00002 0.00207 -0.00070 203 4XY 0.00000 0.00005 0.00000 0.00414 -0.00138 204 4XZ 0.00000 0.00006 -0.00003 0.00558 -0.00186 205 4YZ 0.00000 -0.00009 0.00000 -0.00479 0.00160 206 19 C 1S 0.00000 -0.00082 0.00009 -0.08080 0.02669 207 2S 0.00000 0.00201 -0.00062 0.15387 -0.05067 208 2PX 0.00000 0.00058 0.00007 0.02338 -0.00724 209 2PY 0.00000 0.00007 0.00004 -0.01931 0.00666 210 2PZ 0.00000 0.00053 -0.00015 0.04414 -0.01426 211 3S 0.00000 -0.00967 0.00657 0.09534 -0.03200 212 3PX 0.00001 -0.00364 0.00240 0.00131 -0.00061 213 3PY 0.00001 -0.00022 0.00344 -0.00376 0.00183 214 3PZ -0.00001 -0.00378 0.00161 0.00474 -0.00198 215 4XX 0.00000 -0.00006 0.00001 -0.00001 0.00004 216 4YY 0.00000 0.00000 0.00005 0.00387 -0.00132 217 4ZZ 0.00000 -0.00002 0.00000 0.00109 -0.00034 218 4XY 0.00000 0.00001 0.00012 0.00571 -0.00190 219 4XZ 0.00000 -0.00001 0.00006 0.00587 -0.00192 220 4YZ 0.00000 -0.00002 0.00007 -0.00302 0.00104 221 20 C 1S -0.00002 -0.00397 -0.00018 -0.08827 0.02769 222 2S 0.00000 0.00709 -0.00069 0.16747 -0.05269 223 2PX 0.00000 0.00304 0.00006 -0.01080 0.00483 224 2PY 0.00000 -0.00061 0.00088 -0.04892 0.01533 225 2PZ 0.00000 0.00396 -0.00099 0.02459 -0.00649 226 3S 0.00005 0.01678 0.00041 0.10161 -0.02987 227 3PX 0.00002 -0.00461 0.00803 -0.00341 0.00243 228 3PY 0.00000 -0.01003 0.00064 -0.00299 0.00113 229 3PZ 0.00004 0.00079 0.00631 -0.00159 0.00110 230 4XX 0.00000 0.00012 -0.00004 0.00003 0.00007 231 4YY 0.00000 0.00000 -0.00008 0.00260 -0.00088 232 4ZZ 0.00000 0.00022 -0.00024 0.00312 -0.00090 233 4XY 0.00000 0.00014 0.00003 0.00443 -0.00157 234 4XZ 0.00000 0.00049 0.00004 0.00778 -0.00229 235 4YZ 0.00000 -0.00030 -0.00020 -0.00398 0.00120 236 21 H 1S 0.00000 0.00275 0.00078 0.03363 -0.01082 237 2S 0.00000 0.00481 0.00271 0.00069 -0.00117 238 22 H 1S 0.00000 0.00022 -0.00017 0.03003 -0.01008 239 2S 0.00000 -0.00084 -0.00014 0.00278 -0.00125 240 23 H 1S 0.00000 0.00027 -0.00018 0.02931 -0.00994 241 2S 0.00000 0.00113 -0.00044 0.00305 -0.00111 242 24 H 1S 0.00000 0.00022 -0.00020 0.03036 -0.01009 243 2S 0.00001 -0.00114 0.00058 0.00229 -0.00089 244 25 H 1S 0.00001 0.00438 -0.00310 0.03324 -0.01044 245 2S -0.00004 0.00685 -0.00398 0.00209 -0.00064 246 26 O 1S 0.00000 -0.15931 0.12315 0.02506 -0.00007 247 2S -0.00001 0.35658 -0.27505 -0.05541 0.00029 248 2PX 0.00000 -0.05680 0.04573 0.00371 0.00574 249 2PY 0.00000 0.03096 -0.02019 -0.00184 -0.00081 250 2PZ 0.00000 -0.01760 0.00572 -0.02002 -0.00178 251 3S 0.00004 0.34969 -0.27128 -0.07042 0.00186 252 3PX 0.00000 -0.03861 0.02580 0.00452 0.00140 253 3PY 0.00000 0.01856 -0.01445 -0.00179 -0.00047 254 3PZ -0.00002 -0.01348 0.00860 -0.00589 -0.00063 255 4XX -0.00001 0.01136 -0.00861 -0.00127 -0.00025 256 4YY 0.00000 0.00126 -0.00039 0.00047 0.00023 257 4ZZ 0.00000 0.01439 -0.01035 -0.00083 0.00022 258 4XY 0.00000 -0.00463 0.00311 0.00014 0.00019 259 4XZ 0.00000 -0.00500 0.00514 0.00296 -0.00006 260 4YZ 0.00000 -0.00454 0.00335 -0.00067 0.00013 261 27 H 1S 0.00000 0.08982 -0.07297 -0.02045 -0.00241 262 2S 0.00001 -0.00359 0.00141 -0.00147 -0.00035 263 28 H 1S -0.00001 0.02574 -0.00729 0.01441 -0.00466 264 2S -0.00003 0.00007 -0.00164 0.00057 -0.00123 21 22 23 24 25 O O O O O Eigenvalues -- -1.05494 -1.02917 -1.01695 -1.01482 -0.95625 1 1 C 1S 0.09268 0.02359 0.00197 -0.00288 -0.11334 2 2S -0.17793 -0.04585 -0.00339 0.00635 0.22315 3 2PX 0.01822 0.04640 -0.00524 -0.01088 0.05617 4 2PY 0.00500 0.00397 -0.01239 -0.00494 0.04648 5 2PZ 0.07275 0.01235 0.00219 0.00041 -0.04516 6 3S -0.16296 -0.03687 -0.00538 -0.00132 0.20999 7 3PX 0.00481 0.00681 -0.00006 -0.00495 0.00300 8 3PY 0.00440 -0.00233 -0.00071 0.00134 0.01832 9 3PZ 0.02049 0.00150 -0.00010 0.00142 -0.01858 10 4XX -0.00695 0.00007 0.00006 0.00011 0.00529 11 4YY -0.00186 -0.00249 0.00105 0.00051 0.00268 12 4ZZ 0.00192 0.00034 -0.00101 -0.00018 -0.00053 13 4XY -0.00376 -0.00253 0.00139 0.00081 -0.00269 14 4XZ 0.00129 -0.00332 -0.00024 0.00079 -0.00730 15 4YZ -0.00696 -0.00245 0.00021 0.00061 0.00214 16 2 C 1S 0.04790 -0.03682 0.00234 0.00031 -0.06136 17 2S -0.10213 0.07636 -0.00550 -0.00063 0.12997 18 2PX 0.03103 0.07249 0.00070 0.01374 -0.08800 19 2PY 0.08057 -0.07938 0.00566 -0.00322 -0.05207 20 2PZ -0.05446 0.00075 -0.00290 -0.00361 0.09232 21 3S -0.05976 0.05232 -0.00110 0.00032 0.09733 22 3PX 0.00376 0.00792 0.00244 -0.00139 -0.01946 23 3PY 0.01239 -0.02054 -0.00133 -0.00128 -0.02402 24 3PZ -0.00590 0.00606 -0.00130 0.00197 0.02175 25 4XX -0.00966 0.00440 -0.00117 0.00194 0.00812 26 4YY 0.00375 0.00100 0.00083 -0.00166 -0.00559 27 4ZZ 0.00107 -0.00327 -0.00020 -0.00008 0.00093 28 4XY 0.00221 -0.00836 0.00033 -0.00014 0.00090 29 4XZ 0.00759 -0.00191 0.00043 -0.00085 -0.01069 30 4YZ -0.00271 0.00334 -0.00058 0.00093 0.00042 31 3 C 1S 0.04685 -0.11386 0.00401 -0.00773 0.02209 32 2S -0.09134 0.22080 -0.00761 0.01501 -0.04047 33 2PX 0.03206 -0.00798 -0.01336 0.06288 -0.05238 34 2PY -0.00288 0.00573 -0.01912 0.08384 0.03128 35 2PZ -0.01277 0.00090 0.00972 -0.04490 0.01967 36 3S -0.07082 0.16699 -0.00715 0.01257 -0.04663 37 3PX 0.00558 -0.00298 -0.00165 0.01425 -0.00175 38 3PY -0.00225 0.00668 -0.00874 0.02295 0.01485 39 3PZ -0.00120 -0.00074 0.00294 -0.01144 -0.00144 40 4XX -0.00287 0.00426 -0.00202 0.00816 0.00221 41 4YY -0.00305 0.00664 0.00204 -0.00889 -0.00244 42 4ZZ 0.00254 -0.00568 -0.00010 0.00107 0.00103 43 4XY 0.00182 -0.00052 -0.00029 0.00210 -0.00433 44 4XZ 0.00248 -0.00590 0.00124 -0.00494 0.00034 45 4YZ 0.00059 -0.00341 -0.00028 0.00115 0.00323 46 4 C 1S -0.00190 -0.04244 0.02549 -0.11146 0.02869 47 2S 0.00321 0.08207 -0.04949 0.21641 -0.05568 48 2PX 0.03542 -0.08366 -0.00797 0.04221 0.02681 49 2PY -0.01122 0.01216 0.00752 -0.03330 -0.00034 50 2PZ -0.01273 0.03318 0.00158 -0.01012 -0.01050 51 3S 0.00212 0.06319 -0.03693 0.16176 -0.04964 52 3PX 0.00038 -0.00819 -0.00391 0.01265 0.00870 53 3PY -0.00125 0.00448 0.00074 0.00195 -0.00296 54 3PZ -0.00081 0.00339 0.00126 -0.00512 -0.00215 55 4XX -0.00071 0.00442 -0.00122 0.00527 -0.00169 56 4YY 0.00178 -0.00075 -0.00170 0.00772 -0.00150 57 4ZZ -0.00084 -0.00080 0.00147 -0.00659 0.00119 58 4XY -0.00331 0.00670 0.00134 -0.00660 -0.00243 59 4XZ 0.00106 -0.00554 0.00133 -0.00556 0.00240 60 4YZ 0.00084 -0.00352 0.00039 -0.00145 0.00205 61 5 C 1S -0.03902 0.06192 0.02239 -0.10376 -0.02121 62 2S 0.07435 -0.11854 -0.04308 0.19981 0.04118 63 2PX -0.00489 -0.01203 0.00975 -0.04259 0.01799 64 2PY -0.02407 0.07435 -0.01156 0.04891 -0.04166 65 2PZ 0.00696 -0.01042 -0.00158 0.00720 0.00136 66 3S 0.05919 -0.09313 -0.03246 0.15335 0.03343 67 3PX -0.00097 -0.00264 -0.00011 -0.00015 0.00528 68 3PY -0.00199 0.00821 -0.00064 0.00642 -0.00778 69 3PZ 0.00105 -0.00094 0.00025 -0.00158 -0.00071 70 4XX 0.00030 0.00170 -0.00170 0.00760 -0.00129 71 4YY 0.00419 -0.00863 -0.00082 0.00407 0.00355 72 4ZZ -0.00219 0.00325 0.00126 -0.00578 -0.00093 73 4XY 0.00069 -0.00391 0.00144 -0.00629 0.00235 74 4XZ -0.00189 0.00248 0.00137 -0.00627 -0.00065 75 4YZ -0.00210 0.00497 0.00004 -0.00037 -0.00223 76 6 C 1S -0.04825 0.10945 -0.00241 0.00638 -0.04318 77 2S 0.09320 -0.21196 0.00466 -0.01248 0.08466 78 2PX -0.00922 0.02120 -0.01378 0.06199 0.00873 79 2PY 0.01629 -0.01956 -0.01773 0.08107 0.00894 80 2PZ 0.00050 -0.00490 0.00954 -0.04322 -0.00553 81 3S 0.06722 -0.15974 0.00336 -0.00862 0.07116 82 3PX 0.00138 -0.00282 -0.00132 0.00713 0.00485 83 3PY -0.00067 0.00076 -0.00193 0.01220 -0.00243 84 3PZ -0.00034 0.00105 0.00094 -0.00543 -0.00171 85 4XX 0.00162 -0.00481 0.00188 -0.00836 0.00112 86 4YY 0.00384 -0.00725 -0.00194 0.00910 0.00367 87 4ZZ -0.00267 0.00581 0.00017 -0.00105 -0.00234 88 4XY -0.00014 0.00014 0.00048 -0.00218 -0.00062 89 4XZ -0.00273 0.00665 -0.00111 0.00477 -0.00200 90 4YZ -0.00186 0.00388 0.00022 -0.00116 -0.00142 91 7 C 1S -0.02435 0.05959 -0.02504 0.11034 0.00084 92 2S 0.04593 -0.11447 0.04831 -0.21202 -0.00120 93 2PX 0.02945 -0.07162 -0.00957 0.04458 0.04689 94 2PY 0.00378 -0.00175 0.00722 -0.03285 -0.01211 95 2PZ -0.01311 0.03075 0.00252 -0.01204 -0.01734 96 3S 0.04033 -0.08610 0.03702 -0.16904 -0.00444 97 3PX 0.00101 -0.01181 0.00011 0.00610 0.00774 98 3PY 0.00250 0.00283 -0.00008 -0.00106 -0.00509 99 3PZ -0.00163 0.00467 0.00003 -0.00268 -0.00156 100 4XX 0.00210 -0.00480 0.00123 -0.00534 0.00079 101 4YY 0.00033 -0.00063 0.00166 -0.00755 -0.00172 102 4ZZ -0.00093 0.00192 -0.00142 0.00651 0.00087 103 4XY 0.00238 -0.00607 -0.00131 0.00630 0.00415 104 4XZ -0.00256 0.00593 -0.00128 0.00560 -0.00119 105 4YZ -0.00162 0.00383 -0.00029 0.00113 -0.00124 106 8 C 1S 0.02110 -0.04533 -0.02349 0.10496 0.03501 107 2S -0.04096 0.08804 0.04567 -0.20439 -0.06814 108 2PX 0.01819 -0.02702 0.00769 -0.04146 -0.01125 109 2PY -0.03664 0.08466 -0.01282 0.04887 -0.00336 110 2PZ 0.00021 -0.00588 -0.00085 0.00763 0.00654 111 3S -0.03567 0.06669 0.03329 -0.14832 -0.04474 112 3PX 0.00223 -0.00875 -0.00145 0.00263 0.00394 113 3PY 0.00065 0.01382 -0.00640 0.01389 0.00483 114 3PZ 0.00066 0.00057 0.00144 -0.00293 -0.00364 115 4XX 0.00055 -0.00312 0.00209 -0.00790 -0.00080 116 4YY -0.00391 0.00849 0.00063 -0.00417 -0.00178 117 4ZZ 0.00117 -0.00241 -0.00134 0.00591 0.00183 118 4XY -0.00120 0.00466 -0.00149 0.00625 -0.00122 119 4XZ 0.00055 -0.00124 -0.00159 0.00672 0.00214 120 4YZ 0.00193 -0.00494 0.00002 0.00035 0.00177 121 9 H 1S -0.01663 0.02684 0.01659 -0.06193 -0.01996 122 2S 0.00003 0.00409 0.00157 -0.00854 -0.00275 123 10 H 1S 0.01197 -0.03314 0.01479 -0.06491 0.00036 124 2S 0.00244 -0.00635 0.00323 -0.01364 -0.00085 125 11 H 1S 0.02489 -0.06196 0.00146 -0.00381 0.03162 126 2S 0.00355 -0.01119 0.00030 -0.00032 0.00725 127 12 H 1S 0.01971 -0.03421 -0.01300 0.06059 0.01570 128 2S 0.00347 -0.00663 -0.00263 0.01186 0.00395 129 13 H 1S 0.00017 0.02600 -0.01458 0.06440 -0.01911 130 2S 0.00207 0.00242 -0.00244 0.00972 -0.00570 131 14 O 1S -0.04172 0.02567 -0.00509 0.00605 0.03901 132 2S 0.09305 -0.05905 0.01150 -0.01365 -0.08871 133 2PX 0.01026 0.02164 0.00106 0.00862 -0.02918 134 2PY 0.00653 -0.01267 0.00078 -0.00208 -0.01683 135 2PZ -0.00560 -0.00467 0.00060 -0.00265 0.03101 136 3S 0.10855 -0.06089 0.01355 -0.01541 -0.10509 137 3PX 0.00382 0.01005 0.00066 0.00497 -0.01098 138 3PY 0.00187 -0.00688 0.00030 -0.00059 -0.00805 139 3PZ -0.00210 -0.00052 0.00092 -0.00144 0.01548 140 4XX 0.00015 -0.00094 -0.00010 0.00010 -0.00120 141 4YY -0.00010 0.00062 0.00005 0.00003 -0.00013 142 4ZZ -0.00033 -0.00117 0.00015 -0.00019 0.00160 143 4XY -0.00110 -0.00188 -0.00012 -0.00067 0.00250 144 4XZ 0.00006 0.00143 -0.00003 0.00032 -0.00086 145 4YZ -0.00015 0.00025 -0.00014 0.00016 -0.00202 146 15 C 1S 0.09098 0.05908 -0.00985 -0.01483 0.04107 147 2S -0.17580 -0.11280 0.01915 0.02865 -0.07851 148 2PX -0.03638 0.00239 0.00381 -0.00181 0.09086 149 2PY -0.03285 -0.00871 -0.08947 -0.01917 0.06500 150 2PZ -0.01232 0.00298 0.07437 0.01550 0.05228 151 3S -0.12647 -0.09205 0.01505 0.02548 -0.07250 152 3PX -0.00668 -0.00821 0.00228 0.00087 0.01618 153 3PY -0.01477 -0.00963 -0.01957 -0.00484 0.01240 154 3PZ 0.00504 -0.00056 0.01881 0.00424 0.00797 155 4XX -0.00150 0.00117 -0.00106 -0.00058 0.00666 156 4YY -0.00220 -0.00166 0.00763 0.00219 -0.00261 157 4ZZ -0.00140 -0.00137 -0.00642 -0.00104 -0.00228 158 4XY -0.00576 -0.00253 0.00604 0.00188 0.00390 159 4XZ -0.00656 -0.00383 -0.00533 -0.00037 0.00124 160 4YZ 0.00188 0.00272 0.00007 -0.00070 0.00894 161 16 C 1S 0.01100 0.01674 -0.11418 -0.03032 0.05722 162 2S -0.02065 -0.03197 0.21945 0.05889 -0.10992 163 2PX -0.04881 -0.02785 -0.03559 -0.00361 -0.01786 164 2PY -0.05912 -0.04067 -0.02669 0.00269 -0.03789 165 2PZ -0.01245 -0.00420 -0.02302 -0.00530 0.00594 166 3S -0.02900 -0.03129 0.16943 0.04316 -0.08650 167 3PX -0.00649 -0.00131 -0.00239 -0.00182 -0.00997 168 3PY -0.00768 -0.00683 -0.01004 -0.00193 -0.00865 169 3PZ 0.00006 0.00039 0.00405 0.00240 -0.00719 170 4XX 0.00261 0.00212 0.00182 -0.00001 0.00329 171 4YY -0.00522 -0.00391 0.00217 0.00144 -0.00438 172 4ZZ 0.00155 0.00063 0.00237 0.00052 -0.00094 173 4XY -0.00101 -0.00075 0.00709 0.00182 -0.00114 174 4XZ 0.00358 0.00145 0.00981 0.00204 -0.00125 175 4YZ 0.00437 0.00345 -0.00133 -0.00097 0.00641 176 17 C 1S -0.06720 -0.03813 -0.10022 -0.01600 -0.03277 177 2S 0.12800 0.07317 0.19349 0.03090 0.06444 178 2PX -0.02283 -0.02020 0.04891 0.01589 -0.05946 179 2PY 0.02013 0.00751 0.02171 0.00412 -0.00761 180 2PZ -0.04367 -0.03120 0.04323 0.01677 -0.06777 181 3S 0.10292 0.06020 0.15038 0.02381 0.04675 182 3PX -0.00145 -0.00269 0.00443 0.00217 -0.01427 183 3PY 0.00437 0.00107 -0.00220 -0.00014 -0.00671 184 3PZ -0.00556 -0.00334 0.00769 0.00204 -0.01203 185 4XX -0.00187 -0.00135 0.00237 0.00083 -0.00293 186 4YY 0.00163 0.00089 0.00355 0.00066 0.00048 187 4ZZ 0.00401 0.00263 -0.00007 -0.00059 0.00412 188 4XY 0.00044 -0.00035 0.00893 0.00222 -0.00340 189 4XZ 0.00522 0.00280 0.00778 0.00126 0.00173 190 4YZ -0.00617 -0.00406 0.00061 0.00096 -0.00672 191 18 C 1S -0.09299 -0.05723 0.01211 0.01435 -0.08215 192 2S 0.17851 0.11031 -0.02344 -0.02769 0.16009 193 2PX 0.02456 0.01147 0.00358 -0.00101 -0.00112 194 2PY 0.01239 0.00294 -0.08341 -0.01950 -0.01399 195 2PZ 0.02069 0.01199 0.06981 0.01404 0.00968 196 3S 0.13000 0.08341 -0.01724 -0.02186 0.13185 197 3PX -0.00123 -0.00132 0.00133 0.00034 -0.00677 198 3PY -0.00001 -0.00146 -0.01083 -0.00223 -0.00767 199 3PZ -0.00150 -0.00066 0.01000 0.00250 -0.00185 200 4XX -0.00098 -0.00049 0.00084 0.00027 -0.00029 201 4YY 0.00378 0.00210 -0.00773 -0.00220 0.00225 202 4ZZ 0.00254 0.00170 0.00614 0.00109 0.00263 203 4XY 0.00424 0.00241 -0.00641 -0.00195 0.00320 204 4XZ 0.00625 0.00395 0.00481 0.00031 0.00594 205 4YZ -0.00516 -0.00306 -0.00002 0.00060 -0.00366 206 19 C 1S -0.05564 -0.02568 0.11269 0.03043 -0.00643 207 2S 0.10608 0.04948 -0.21753 -0.05876 0.01316 208 2PX -0.02339 -0.02252 -0.03796 -0.00327 -0.05839 209 2PY -0.05181 -0.03750 -0.02738 0.00186 -0.07397 210 2PZ 0.01195 0.00141 -0.02566 -0.00544 -0.01443 211 3S 0.08653 0.03957 -0.17036 -0.04606 0.00345 212 3PX -0.00001 -0.00314 -0.00247 0.00043 -0.01413 213 3PY -0.00239 -0.00407 -0.00531 -0.00061 -0.01715 214 3PZ 0.00263 -0.00054 0.00091 0.00060 -0.00518 215 4XX -0.00262 -0.00192 -0.00180 0.00000 -0.00349 216 4YY 0.00599 0.00374 -0.00226 -0.00130 0.00538 217 4ZZ -0.00015 -0.00034 -0.00231 -0.00045 -0.00138 218 4XY 0.00326 0.00125 -0.00723 -0.00187 -0.00030 219 4XZ 0.00069 -0.00073 -0.00977 -0.00200 -0.00448 220 4YZ -0.00574 -0.00377 0.00125 0.00107 -0.00556 221 20 C 1S 0.02694 0.03044 0.10341 0.01623 0.06468 222 2S -0.05248 -0.05863 -0.19940 -0.03115 -0.12407 223 2PX -0.05233 -0.02698 0.04639 0.01577 0.00130 224 2PY -0.00749 0.00096 0.02299 0.00422 0.02102 225 2PZ -0.05699 -0.03562 0.03940 0.01678 -0.01738 226 3S -0.03745 -0.04365 -0.15018 -0.02388 -0.09945 227 3PX 0.00029 -0.00187 0.00545 0.00144 -0.00971 228 3PY -0.00293 -0.00074 -0.00548 -0.00045 -0.00351 229 3PZ 0.00196 -0.00322 0.01037 0.00296 -0.00818 230 4XX 0.00161 0.00152 -0.00241 -0.00087 0.00236 231 4YY 0.00009 -0.00055 -0.00368 -0.00068 -0.00265 232 4ZZ -0.00420 -0.00288 0.00009 0.00069 -0.00220 233 4XY 0.00290 0.00090 -0.00910 -0.00220 -0.00135 234 4XZ -0.00260 -0.00223 -0.00788 -0.00128 -0.00329 235 4YZ 0.00514 0.00404 -0.00058 -0.00098 0.00564 236 21 H 1S -0.01988 -0.01918 -0.06018 -0.00963 -0.03418 237 2S -0.00083 -0.00441 -0.00851 -0.00165 -0.00769 238 22 H 1S 0.02786 0.01417 -0.06617 -0.01797 0.00676 239 2S 0.00497 0.00251 -0.01307 -0.00346 0.00194 240 23 H 1S 0.04771 0.03213 -0.00704 -0.00847 0.05991 241 2S 0.00729 0.00560 -0.00130 -0.00165 0.01434 242 24 H 1S 0.03441 0.02144 0.05957 0.00957 0.02501 243 2S 0.00701 0.00432 0.01185 0.00211 0.00587 244 25 H 1S -0.00832 -0.01029 0.06843 0.01779 -0.03646 245 2S 0.00044 -0.00201 0.01291 0.00184 -0.01134 246 26 O 1S -0.04432 -0.00737 0.00511 0.00128 0.03612 247 2S 0.09931 0.01765 -0.01193 -0.00348 -0.08164 248 2PX -0.01100 0.01415 -0.00338 -0.00638 0.02423 249 2PY -0.01443 -0.00295 -0.00682 0.00176 0.05229 250 2PZ 0.07264 0.00605 -0.00630 0.00031 -0.11369 251 3S 0.13050 0.02071 -0.01323 -0.00221 -0.11340 252 3PX -0.00856 0.00573 -0.00178 -0.00291 0.01497 253 3PY -0.00568 -0.00147 -0.00426 0.00121 0.02628 254 3PZ 0.03250 0.00433 -0.00353 -0.00087 -0.05943 255 4XX 0.00381 -0.00022 -0.00001 0.00022 -0.00628 256 4YY -0.00125 0.00065 -0.00038 -0.00042 0.00295 257 4ZZ -0.00022 0.00063 -0.00048 -0.00027 0.00200 258 4XY 0.00084 0.00071 0.00040 -0.00015 -0.00252 259 4XZ -0.00852 -0.00162 0.00085 0.00027 0.01113 260 4YZ 0.00356 0.00055 0.00018 -0.00015 -0.00665 261 27 H 1S 0.05138 0.00157 -0.00364 0.00150 -0.06713 262 2S 0.00765 -0.00016 0.00026 0.00065 -0.01529 263 28 H 1S -0.05219 -0.01981 -0.00496 0.00163 0.08213 264 2S -0.00600 -0.00352 -0.00146 -0.00092 0.01594 26 27 28 29 30 O O O O O Eigenvalues -- -0.86064 -0.83117 -0.82752 -0.81007 -0.75498 1 1 C 1S 0.04477 0.00136 0.00820 0.03751 0.04353 2 2S -0.08812 -0.00365 -0.01797 -0.07499 -0.08663 3 2PX 0.08604 -0.00243 0.05731 -0.09765 0.11038 4 2PY -0.01310 0.04814 0.02064 -0.06972 -0.05267 5 2PZ -0.01061 -0.00994 -0.00921 -0.03593 -0.07050 6 3S -0.09004 0.00445 -0.00038 -0.09554 -0.10431 7 3PX 0.02248 -0.00354 0.02237 -0.01793 0.05224 8 3PY -0.01390 0.01609 -0.00007 -0.02946 -0.03156 9 3PZ -0.00178 -0.00131 -0.00917 -0.00145 -0.02440 10 4XX 0.00287 -0.00019 0.00047 0.00039 0.00560 11 4YY -0.00645 -0.00186 -0.00244 -0.00194 -0.00956 12 4ZZ 0.00136 0.00187 0.00066 -0.00025 0.00172 13 4XY -0.00031 -0.00268 -0.00256 0.00645 0.00417 14 4XZ -0.00531 0.00041 -0.00303 0.00616 -0.00522 15 4YZ -0.00302 0.00127 -0.00209 0.00438 -0.00294 16 2 C 1S -0.07498 -0.00031 -0.00566 0.01910 -0.07829 17 2S 0.16082 0.00107 0.01173 -0.04079 0.17100 18 2PX 0.10425 -0.00490 -0.04946 0.06594 0.03387 19 2PY -0.10464 0.00530 -0.00395 -0.02300 -0.04587 20 2PZ -0.00756 -0.00129 0.02662 -0.06320 -0.00165 21 3S 0.11325 -0.00222 0.01019 -0.04344 0.14685 22 3PX 0.00773 -0.00335 -0.00649 0.01371 0.00540 23 3PY -0.03347 0.00200 -0.00191 0.00462 -0.03682 24 3PZ 0.01304 0.00091 0.00285 -0.01869 0.01294 25 4XX 0.00317 0.00207 -0.00360 -0.00142 -0.00102 26 4YY 0.00130 -0.00238 0.00283 0.00372 -0.00025 27 4ZZ -0.00438 0.00042 0.00026 -0.00237 -0.00294 28 4XY -0.00889 -0.00050 -0.00061 -0.00220 -0.00100 29 4XZ -0.00233 -0.00042 0.00142 0.00539 -0.00204 30 4YZ 0.00170 0.00117 -0.00141 0.00042 -0.00304 31 3 C 1S -0.05931 -0.00174 0.01152 -0.03596 0.04700 32 2S 0.11952 0.00318 -0.02323 0.07155 -0.09515 33 2PX -0.10632 0.04197 -0.09930 -0.03299 -0.13531 34 2PY 0.10253 0.04380 -0.14346 -0.04143 0.13221 35 2PZ 0.02118 -0.02774 0.07517 0.01415 0.02835 36 3S 0.09604 0.00322 -0.02294 0.06794 -0.08285 37 3PX -0.04702 0.01325 -0.03014 -0.02648 -0.02369 38 3PY 0.05577 0.02046 -0.05147 -0.00865 0.04661 39 3PZ 0.00625 -0.01035 0.02501 0.00938 -0.00037 40 4XX 0.00438 0.00236 -0.00702 -0.00215 0.00359 41 4YY 0.00172 -0.00308 0.00762 0.00441 -0.00188 42 4ZZ -0.00423 0.00032 -0.00065 -0.00256 0.00080 43 4XY -0.00973 0.00063 -0.00144 -0.00047 -0.00928 44 4XZ -0.00151 -0.00144 0.00434 0.00104 0.00180 45 4YZ 0.00255 0.00042 -0.00104 -0.00190 0.00471 46 4 C 1S 0.05841 -0.02809 0.06922 0.04030 -0.00577 47 2S -0.11668 0.05660 -0.13931 -0.08151 0.01191 48 2PX -0.09380 -0.03125 0.10407 -0.04332 0.12342 49 2PY 0.02420 0.01986 -0.06653 -0.02128 0.07516 50 2PZ 0.03436 0.00903 -0.02934 0.02057 -0.06868 51 3S -0.09524 0.04431 -0.10935 -0.06655 0.01866 52 3PX -0.01837 -0.00137 0.01573 -0.01781 0.04795 53 3PY -0.01169 0.01410 -0.04545 -0.02265 0.03050 54 3PZ 0.01126 -0.00240 0.00292 0.01081 -0.02560 55 4XX 0.00096 0.00038 -0.00120 0.00075 -0.00002 56 4YY -0.00682 0.00199 -0.00476 -0.00459 0.00373 57 4ZZ 0.00387 -0.00105 0.00243 0.00223 -0.00146 58 4XY 0.00416 0.00202 -0.00601 0.00249 -0.00887 59 4XZ 0.00055 -0.00169 0.00453 0.00072 0.00196 60 4YZ 0.00111 -0.00184 0.00497 0.00085 0.00286 61 5 C 1S 0.02767 0.02902 -0.08354 -0.00339 -0.04242 62 2S -0.05458 -0.05766 0.16616 0.00676 0.08501 63 2PX 0.05210 -0.02832 0.06624 0.03570 0.05855 64 2PY -0.13502 0.02675 -0.04633 -0.08730 0.10972 65 2PZ 0.00691 0.00632 -0.01819 0.00305 -0.04823 66 3S -0.04908 -0.05147 0.14321 0.00689 0.07466 67 3PX 0.00547 -0.01559 0.04432 0.01012 0.03998 68 3PY -0.03531 0.00090 0.00083 -0.02011 0.03414 69 3PZ 0.00479 0.00626 -0.01844 0.00016 -0.02472 70 4XX -0.00718 -0.00067 0.00327 -0.00268 0.00606 71 4YY 0.00474 -0.00183 0.00377 0.00290 -0.00188 72 4ZZ 0.00155 0.00108 -0.00315 0.00000 -0.00105 73 4XY 0.00639 -0.00195 0.00437 0.00376 0.00006 74 4XZ 0.00315 0.00175 -0.00544 0.00040 -0.00421 75 4YZ -0.00328 0.00177 -0.00420 -0.00238 -0.00025 76 6 C 1S -0.09044 0.00332 0.01016 -0.03379 0.03981 77 2S 0.18031 -0.00666 -0.02022 0.06819 -0.08186 78 2PX 0.03161 -0.03972 0.09522 0.05114 0.00180 79 2PY -0.03585 -0.04714 0.13798 0.02981 -0.01318 80 2PZ -0.00568 0.02663 -0.06902 -0.02778 0.00178 81 3S 0.15805 -0.00509 -0.01827 0.05616 -0.05563 82 3PX 0.02644 -0.01202 0.02266 0.02625 -0.02293 83 3PY -0.02560 -0.01224 0.03742 -0.00156 0.01424 84 3PZ -0.00549 0.00781 -0.01775 -0.01063 0.00681 85 4XX 0.00482 0.00280 -0.00840 -0.00065 -0.00179 86 4YY 0.00439 -0.00367 0.00877 0.00442 -0.00114 87 4ZZ -0.00466 0.00068 -0.00076 -0.00231 0.00265 88 4XY -0.00356 0.00094 -0.00146 -0.00319 0.00523 89 4XZ -0.00479 -0.00147 0.00478 -0.00017 0.00114 90 4YZ -0.00116 0.00054 -0.00130 -0.00032 -0.00125 91 7 C 1S 0.02101 -0.02996 0.07262 0.04366 -0.04707 92 2S -0.04113 0.05951 -0.14498 -0.08730 0.09500 93 2PX 0.13750 0.02215 -0.09040 0.02846 -0.07374 94 2PY -0.02883 -0.01805 0.06091 0.02722 -0.09866 95 2PZ -0.05220 -0.00568 0.02616 -0.01812 0.05153 96 3S -0.03998 0.05013 -0.11812 -0.07285 0.07938 97 3PX 0.03243 0.00138 -0.01904 0.01075 -0.02362 98 3PY -0.00392 -0.01670 0.04594 0.02684 -0.06163 99 3PZ -0.01327 0.00233 -0.00049 -0.01045 0.02247 100 4XX 0.00182 0.00029 -0.00122 0.00060 -0.00157 101 4YY -0.00530 0.00240 -0.00482 -0.00492 0.00746 102 4ZZ 0.00279 -0.00135 0.00268 0.00236 -0.00236 103 4XY 0.00899 0.00125 -0.00575 0.00086 -0.00078 104 4XZ -0.00190 -0.00143 0.00420 0.00108 -0.00048 105 4YZ -0.00216 -0.00161 0.00476 0.00138 -0.00202 106 8 C 1S 0.06254 0.02548 -0.07987 -0.01205 0.00354 107 2S -0.12557 -0.05143 0.16116 0.02401 -0.00844 108 2PX -0.03593 0.03867 -0.07443 -0.03492 -0.04542 109 2PY 0.08754 -0.02479 0.05623 0.08627 -0.15359 110 2PZ -0.00259 -0.01147 0.02122 -0.00579 0.05146 111 3S -0.09028 -0.03968 0.12464 0.01465 0.02361 112 3PX 0.01367 0.02192 -0.05017 -0.01365 -0.01169 113 3PY 0.03005 0.00461 -0.00078 0.01715 -0.04236 114 3PZ -0.01054 -0.00923 0.02081 0.00177 0.01463 115 4XX -0.00654 -0.00149 0.00311 -0.00240 0.00601 116 4YY 0.00138 -0.00106 0.00394 0.00289 -0.00374 117 4ZZ 0.00272 0.00089 -0.00310 -0.00037 0.00015 118 4XY 0.00160 -0.00212 0.00496 0.00435 -0.00714 119 4XZ 0.00514 0.00196 -0.00530 -0.00007 -0.00142 120 4YZ 0.00006 0.00159 -0.00439 -0.00319 0.00410 121 9 H 1S -0.04844 -0.03864 0.08977 0.00910 0.05339 122 2S -0.00724 -0.00881 0.02276 0.00052 0.02849 123 10 H 1S -0.01631 0.03053 -0.07887 -0.05217 0.10013 124 2S -0.00460 0.00822 -0.02306 -0.01651 0.04266 125 11 H 1S 0.09295 -0.00441 -0.01137 0.03948 -0.03096 126 2S 0.02734 -0.00150 -0.00391 0.01222 -0.00445 127 12 H 1S -0.02226 -0.03183 0.09056 0.00340 0.09051 128 2S -0.00494 -0.00948 0.02687 0.00075 0.04035 129 13 H 1S -0.04258 0.02869 -0.07746 -0.04589 0.05390 130 2S -0.01108 0.00658 -0.01870 -0.01078 0.01853 131 14 O 1S 0.03685 0.00781 -0.00611 -0.01441 0.03984 132 2S -0.08565 -0.01773 0.01344 0.03343 -0.09298 133 2PX 0.03878 -0.00522 -0.03734 0.02356 0.02850 134 2PY -0.06272 -0.00708 0.01295 0.00742 -0.11290 135 2PZ 0.01017 0.00181 0.01010 -0.03839 0.04326 136 3S -0.10421 -0.02423 0.02069 0.04453 -0.12902 137 3PX 0.02100 -0.00324 -0.02161 0.01085 0.01759 138 3PY -0.03441 -0.00340 0.00591 0.00317 -0.06370 139 3PZ 0.00621 -0.00025 0.00576 -0.02082 0.02413 140 4XX -0.00241 0.00029 -0.00023 0.00073 -0.00333 141 4YY 0.00435 0.00040 -0.00114 0.00125 0.00672 142 4ZZ -0.00169 -0.00009 0.00058 -0.00224 -0.00090 143 4XY -0.00304 0.00040 0.00261 -0.00177 -0.00137 144 4XZ 0.00275 -0.00013 -0.00121 0.00097 0.00188 145 4YZ -0.00168 -0.00014 -0.00018 0.00260 -0.00477 146 15 C 1S 0.02622 0.00769 0.03200 -0.08198 -0.01758 147 2S -0.05142 -0.01581 -0.06400 0.16463 0.03582 148 2PX -0.04011 -0.02099 -0.01201 -0.00982 -0.04071 149 2PY -0.04313 0.14618 0.03240 0.02234 -0.04921 150 2PZ -0.03558 -0.13396 -0.05584 -0.02765 -0.06218 151 3S -0.04038 -0.01180 -0.06068 0.14182 0.03670 152 3PX -0.02715 -0.00932 -0.01426 0.02340 -0.01244 153 3PY -0.02088 0.04454 0.00495 0.03273 -0.00756 154 3PZ -0.01877 -0.04648 -0.02330 0.00412 -0.02087 155 4XX -0.00084 0.00029 0.00077 -0.00258 -0.00086 156 4YY 0.00017 -0.00647 -0.00249 -0.00051 -0.00043 157 4ZZ 0.00009 0.00622 0.00160 0.00181 -0.00012 158 4XY -0.00305 -0.00564 -0.00349 0.00021 -0.00190 159 4XZ -0.00336 0.00476 -0.00048 0.00369 -0.00142 160 4YZ -0.00305 -0.00085 -0.00029 -0.00386 -0.00503 161 16 C 1S -0.02953 0.07124 0.00827 0.04876 0.00300 162 2S 0.05889 -0.14116 -0.01709 -0.09847 -0.00615 163 2PX -0.02264 -0.09337 -0.04944 0.06311 0.01914 164 2PY -0.03304 -0.07260 -0.06834 0.13300 0.05345 165 2PZ -0.00617 -0.05531 -0.01435 -0.02597 -0.03570 166 3S 0.04129 -0.11531 -0.01103 -0.07744 -0.01209 167 3PX 0.00178 -0.03714 -0.00908 0.00861 0.01066 168 3PY -0.01186 -0.00217 -0.01383 0.05113 0.01973 169 3PZ 0.00991 -0.04040 -0.00842 -0.02880 -0.01474 170 4XX 0.00045 0.00379 0.00248 -0.00347 -0.00143 171 4YY -0.00104 -0.00434 -0.00344 0.00451 0.00072 172 4ZZ 0.00175 -0.00248 0.00046 -0.00381 -0.00048 173 4XY 0.00069 -0.00011 0.00030 -0.00133 -0.00032 174 4XZ 0.00282 -0.00156 0.00187 -0.00835 -0.00285 175 4YZ -0.00080 0.00855 0.00326 -0.00277 -0.00275 176 17 C 1S -0.00745 -0.08674 -0.03934 0.03014 0.01706 177 2S 0.01453 0.17328 0.07841 -0.06000 -0.03442 178 2PX 0.04586 -0.05954 0.01061 -0.09555 -0.00722 179 2PY 0.00391 -0.04806 -0.02212 0.01948 0.03818 180 2PZ 0.05294 -0.03491 0.02840 -0.13310 -0.04395 181 3S 0.01693 0.14509 0.06865 -0.05348 -0.02829 182 3PX 0.01204 -0.02516 -0.00192 -0.02069 0.00321 183 3PY 0.00075 -0.04407 -0.01947 0.01421 0.02143 184 3PZ 0.01393 0.00336 0.01379 -0.03705 -0.01412 185 4XX 0.00160 -0.00323 -0.00017 -0.00247 0.00025 186 4YY 0.00086 0.00577 0.00287 -0.00307 -0.00239 187 4ZZ -0.00217 0.00116 -0.00094 0.00410 0.00079 188 4XY 0.00344 0.00274 0.00332 -0.00729 -0.00206 189 4XZ 0.00041 0.00216 0.00111 -0.00091 0.00005 190 4YZ 0.00278 -0.00743 -0.00114 -0.00426 0.00024 191 18 C 1S 0.04143 0.01176 0.03084 -0.07636 -0.01688 192 2S -0.08202 -0.02359 -0.06157 0.15290 0.03452 193 2PX 0.01481 0.01507 0.01642 -0.03295 0.00471 194 2PY 0.01538 -0.13640 -0.03342 -0.05508 -0.00290 195 2PZ 0.00622 0.12575 0.04612 0.00252 0.00636 196 3S -0.07333 -0.02016 -0.05214 0.13106 0.02185 197 3PX 0.01122 0.00663 0.01281 -0.03300 -0.00768 198 3PY 0.00831 -0.03258 -0.00303 -0.03099 -0.00840 199 3PZ 0.00747 0.03404 0.01740 -0.01629 -0.00360 200 4XX -0.00044 0.00049 -0.00035 0.00211 0.00088 201 4YY -0.00078 -0.00765 -0.00273 -0.00068 -0.00060 202 4ZZ -0.00084 0.00650 0.00166 0.00180 -0.00017 203 4XY -0.00221 -0.00675 -0.00388 0.00432 0.00137 204 4XZ -0.00315 0.00482 -0.00066 0.00736 0.00173 205 4YZ 0.00065 -0.00068 -0.00033 0.00102 0.00108 206 19 C 1S -0.01426 0.07756 0.00937 0.06199 0.02055 207 2S 0.02827 -0.15531 -0.01898 -0.12415 -0.04127 208 2PX 0.03869 0.08175 0.05112 -0.04713 0.00679 209 2PY 0.05236 0.06580 0.06281 -0.11377 -0.04294 210 2PZ 0.00566 0.04974 0.01290 0.03071 0.03728 211 3S 0.02648 -0.12758 -0.01289 -0.10699 -0.03765 212 3PX 0.00776 0.03426 0.01517 -0.00108 0.00681 213 3PY 0.01289 0.00306 0.01477 -0.03938 -0.02050 214 3PZ -0.00111 0.03944 0.00747 0.02993 0.02271 215 4XX 0.00174 0.00369 0.00222 -0.00166 0.00023 216 4YY -0.00255 -0.00472 -0.00296 0.00322 0.00035 217 4ZZ 0.00127 -0.00259 0.00027 -0.00431 -0.00211 218 4XY 0.00052 -0.00057 0.00027 -0.00068 0.00030 219 4XZ 0.00350 -0.00214 0.00195 -0.00801 -0.00225 220 4YZ 0.00190 0.00859 0.00355 0.00017 0.00108 221 20 C 1S -0.02512 -0.08313 -0.04000 0.01426 -0.00261 222 2S 0.04951 0.16578 0.07944 -0.02939 0.00503 223 2PX -0.03090 0.07222 -0.00489 0.10084 0.02631 224 2PY -0.00901 0.05022 0.02138 -0.01894 -0.04229 225 2PZ -0.03701 0.05152 -0.02727 0.13996 0.04889 226 3S 0.03961 0.13167 0.06646 -0.03116 -0.00259 227 3PX -0.00265 0.02881 0.00705 0.02374 0.00784 228 3PY 0.00855 0.04890 0.02148 -0.01366 -0.00996 229 3PZ -0.01306 -0.00078 -0.01149 0.03806 0.00746 230 4XX 0.00066 -0.00331 -0.00003 -0.00401 -0.00114 231 4YY 0.00179 0.00541 0.00306 -0.00181 -0.00003 232 4ZZ -0.00153 0.00179 -0.00126 0.00455 0.00026 233 4XY 0.00255 0.00211 0.00318 -0.00755 -0.00289 234 4XZ 0.00095 0.00216 0.00121 -0.00092 -0.00006 235 4YZ 0.00035 -0.00780 -0.00116 -0.00703 -0.00283 236 21 H 1S 0.01576 0.09033 0.04472 -0.02629 -0.02113 237 2S -0.00203 0.02088 0.01217 -0.00686 -0.01791 238 22 H 1S 0.01185 -0.08447 -0.01011 -0.07676 -0.04389 239 2S 0.00333 -0.02433 -0.00280 -0.02558 -0.01818 240 23 H 1S -0.04220 -0.01318 -0.03396 0.08707 0.01255 241 2S -0.01273 -0.00422 -0.01056 0.02721 0.00164 242 24 H 1S 0.00550 0.09408 0.04408 -0.03972 -0.03866 243 2S 0.00158 0.02815 0.01350 -0.01498 -0.01765 244 25 H 1S 0.02301 -0.08317 -0.00810 -0.06377 -0.02371 245 2S 0.00411 -0.02514 0.00042 -0.01742 -0.00842 246 26 O 1S -0.01342 -0.00855 -0.00606 -0.00786 -0.01929 247 2S 0.03221 0.01983 0.01522 0.01862 0.04636 248 2PX 0.03183 0.00559 0.03930 -0.03585 0.07609 249 2PY -0.01756 0.02072 -0.00493 -0.05789 -0.05900 250 2PZ 0.02935 0.04958 -0.00509 0.08382 0.02530 251 3S 0.04150 0.02721 0.01798 0.02549 0.06512 252 3PX 0.01653 0.00378 0.02198 -0.02161 0.04495 253 3PY -0.00966 0.01359 -0.00335 -0.03225 -0.03616 254 3PZ 0.01910 0.02860 -0.00078 0.05097 0.01974 255 4XX -0.00075 0.00058 -0.00249 0.00595 -0.00372 256 4YY 0.00032 0.00083 0.00150 -0.00331 -0.00026 257 4ZZ 0.00087 0.00000 0.00104 -0.00084 0.00227 258 4XY 0.00257 -0.00111 0.00118 0.00184 0.00563 259 4XZ -0.00430 -0.00437 -0.00069 -0.00659 -0.00417 260 4YZ 0.00163 0.00081 -0.00001 0.00494 0.00239 261 27 H 1S 0.00754 0.02084 -0.01238 0.04752 -0.00771 262 2S 0.00316 0.00602 -0.00390 0.01536 -0.00143 263 28 H 1S -0.05532 0.01896 -0.00800 -0.04716 -0.09100 264 2S -0.02013 0.00701 0.00015 -0.01651 -0.04418 31 32 33 34 35 O O O O O Eigenvalues -- -0.71649 -0.71045 -0.68628 -0.66091 -0.64722 1 1 C 1S 0.00436 0.00445 -0.02884 -0.01391 -0.00015 2 2S -0.01072 -0.01030 0.05366 0.03087 -0.00308 3 2PX -0.13768 0.03393 -0.11187 -0.10564 0.03506 4 2PY 0.06208 0.18184 0.11354 -0.10906 0.12621 5 2PZ -0.11982 -0.04633 0.09100 0.09734 0.18686 6 3S 0.01645 0.01280 0.08934 -0.00232 0.02509 7 3PX -0.06562 0.00061 -0.06305 -0.06304 -0.00979 8 3PY 0.01845 0.08005 0.05142 -0.04234 0.06615 9 3PZ -0.02567 -0.00307 0.04604 0.05097 0.07235 10 4XX 0.00014 0.00114 -0.00505 -0.00341 -0.00429 11 4YY 0.00300 0.00159 0.00942 0.00223 0.00559 12 4ZZ -0.00367 -0.00106 -0.00193 0.00345 0.00141 13 4XY 0.00899 0.00092 -0.00564 0.00066 -0.01148 14 4XZ -0.01011 -0.01436 0.00073 0.00955 0.00392 15 4YZ 0.01265 0.00636 0.00607 -0.00256 -0.00490 16 2 C 1S -0.03425 -0.04521 0.02760 -0.00680 0.00031 17 2S 0.07270 0.09843 -0.06143 0.01651 0.00234 18 2PX 0.00988 -0.07472 0.07978 0.17198 0.10089 19 2PY 0.00465 0.07802 -0.01304 -0.04360 0.05091 20 2PZ -0.06130 0.02545 -0.01842 -0.09824 -0.00735 21 3S 0.06716 0.07877 -0.04353 0.01658 -0.00671 22 3PX -0.00768 -0.02813 0.03069 0.04211 0.04015 23 3PY -0.02272 -0.00763 0.00430 -0.01092 0.02352 24 3PZ -0.00458 0.02622 -0.01039 -0.02488 0.00090 25 4XX 0.00195 -0.00156 0.00254 -0.00068 -0.00210 26 4YY -0.00034 0.00050 -0.00009 0.00122 0.00129 27 4ZZ -0.00469 -0.00256 0.00000 0.00013 0.00127 28 4XY -0.00380 -0.00339 -0.00239 0.00063 -0.00233 29 4XZ 0.00077 -0.00221 -0.00136 -0.00057 -0.00169 30 4YZ 0.00053 -0.00025 0.00514 -0.00141 0.00187 31 3 C 1S -0.00122 -0.00140 -0.01094 -0.01627 -0.01028 32 2S 0.00346 0.00455 0.02241 0.03620 0.02120 33 2PX -0.04676 0.02897 -0.02495 -0.04862 0.03461 34 2PY 0.03907 -0.03587 0.03475 0.09884 0.07415 35 2PZ -0.00857 -0.00345 0.00009 -0.01692 -0.01511 36 3S 0.00146 -0.01790 0.03733 -0.00199 0.01729 37 3PX -0.00538 0.01857 -0.00361 -0.04860 -0.00143 38 3PY 0.01899 0.00647 -0.00623 0.05335 0.02478 39 3PZ -0.01342 -0.00987 0.00133 -0.00018 0.00432 40 4XX 0.00064 -0.00002 -0.00315 0.00182 -0.00088 41 4YY 0.00130 0.00071 0.00292 0.00129 0.00086 42 4ZZ -0.00202 -0.00133 -0.00026 -0.00260 -0.00037 43 4XY -0.00358 -0.00405 0.00526 -0.01193 -0.00214 44 4XZ 0.00213 0.00098 0.00045 0.00200 -0.00041 45 4YZ 0.00061 0.00196 -0.00275 0.00389 0.00116 46 4 C 1S 0.00840 0.01474 -0.00805 0.04667 0.01640 47 2S -0.01733 -0.02885 0.01419 -0.09673 -0.03475 48 2PX 0.00713 0.00831 -0.04540 -0.03233 -0.07902 49 2PY 0.01671 -0.09729 0.14212 -0.07593 0.00705 50 2PZ -0.01256 0.01926 -0.01327 0.02378 0.03831 51 3S -0.01773 -0.03863 0.02569 -0.07138 -0.01728 52 3PX 0.00811 0.01134 -0.01868 -0.02670 -0.02977 53 3PY 0.00573 -0.04486 0.06499 -0.06829 -0.01198 54 3PZ -0.00660 0.00665 -0.00658 0.02227 0.01925 55 4XX 0.00134 0.00119 -0.00067 0.00619 0.00247 56 4YY -0.00095 -0.00438 0.00379 -0.00972 -0.00420 57 4ZZ -0.00006 0.00067 0.00013 0.00167 0.00169 58 4XY -0.00089 -0.00139 0.00476 -0.00341 0.00210 59 4XZ 0.00031 0.00010 -0.00109 -0.00050 -0.00188 60 4YZ 0.00105 0.00202 -0.00309 0.00465 0.00014 61 5 C 1S -0.01286 -0.01026 0.00828 -0.04023 -0.01083 62 2S 0.02564 0.02171 -0.01865 0.08265 0.02229 63 2PX 0.04007 -0.05236 0.13257 0.05385 0.07447 64 2PY 0.00702 -0.01397 -0.00238 -0.05477 -0.07063 65 2PZ -0.02019 0.02565 -0.05579 -0.01355 -0.01354 66 3S 0.02631 0.00207 0.01329 0.05343 0.01443 67 3PX 0.01979 -0.00888 0.03827 0.05645 0.04056 68 3PY 0.00201 -0.00592 -0.00120 0.00205 -0.01791 69 3PZ -0.00976 0.00484 -0.01615 -0.02489 -0.01226 70 4XX 0.00180 0.00041 0.00094 0.00354 0.00059 71 4YY -0.00035 -0.00135 0.00165 -0.00252 0.00010 72 4ZZ -0.00022 -0.00039 0.00070 -0.00021 0.00048 73 4XY 0.00152 0.00069 0.00119 0.00839 0.00488 74 4XZ -0.00141 -0.00069 -0.00051 -0.00451 -0.00189 75 4YZ -0.00086 -0.00009 -0.00084 -0.00359 -0.00214 76 6 C 1S 0.00737 0.01669 -0.01710 0.03395 0.00825 77 2S -0.01523 -0.03318 0.03364 -0.06921 -0.01717 78 2PX 0.02217 -0.07244 0.16321 -0.07193 0.04610 79 2PY 0.00590 0.07502 -0.09116 0.15256 0.07155 80 2PZ -0.01170 0.01472 -0.05010 -0.00332 -0.03297 81 3S -0.01092 -0.03286 0.03507 -0.04483 -0.00871 82 3PX 0.00282 -0.03746 0.07552 -0.06150 0.00805 83 3PY 0.00282 0.03290 -0.05131 0.08685 0.03140 84 3PZ -0.00167 0.00941 -0.02148 0.00692 -0.00932 85 4XX -0.00078 -0.00238 0.00294 -0.00629 -0.00273 86 4YY 0.00071 -0.00111 0.00301 0.00055 0.00242 87 4ZZ 0.00037 0.00102 -0.00152 0.00237 0.00024 88 4XY 0.00091 0.00377 -0.00705 0.01103 0.00148 89 4XZ 0.00053 0.00090 -0.00046 0.00198 0.00118 90 4YZ -0.00046 -0.00098 0.00190 -0.00423 -0.00096 91 7 C 1S -0.00616 -0.00727 0.01659 -0.03237 -0.00515 92 2S 0.01172 0.01550 -0.03685 0.06713 0.01010 93 2PX -0.03260 -0.01517 -0.04459 -0.07753 -0.08818 94 2PY -0.02548 0.07503 -0.09177 0.02458 0.01008 95 2PZ 0.01591 -0.00947 0.03646 0.02440 0.03767 96 3S 0.01704 -0.00063 0.00454 0.02943 0.00521 97 3PX -0.01361 -0.00999 -0.01745 -0.02658 -0.03004 98 3PY -0.01004 0.01699 -0.00935 -0.02967 -0.00207 99 3PZ 0.00578 -0.00069 0.00972 0.01627 0.01469 100 4XX -0.00035 -0.00123 0.00131 -0.00479 -0.00174 101 4YY 0.00195 0.00041 0.00082 0.00644 0.00280 102 4ZZ -0.00061 -0.00077 0.00026 -0.00214 -0.00098 103 4XY -0.00123 -0.00126 -0.00335 -0.00054 -0.00335 104 4XZ 0.00045 0.00070 0.00042 0.00169 0.00120 105 4YZ -0.00036 0.00019 0.00138 -0.00194 0.00091 106 8 C 1S -0.00390 0.00595 -0.02884 0.02364 -0.00109 107 2S 0.00815 -0.01131 0.05999 -0.04711 0.00360 108 2PX -0.01386 0.10104 -0.10531 0.11793 0.05291 109 2PY -0.03632 0.01595 -0.02792 -0.06409 -0.07030 110 2PZ 0.00274 -0.04859 0.04712 -0.04455 -0.00170 111 3S 0.01369 -0.00585 0.03996 -0.02737 -0.00262 112 3PX -0.01117 0.04454 -0.06519 0.07740 0.02569 113 3PY -0.00762 0.01952 -0.01652 -0.01342 -0.02592 114 3PZ 0.00182 -0.02229 0.02615 -0.03540 -0.00372 115 4XX 0.00048 -0.00354 0.00243 -0.00262 0.00025 116 4YY -0.00043 0.00119 0.00088 0.00131 -0.00015 117 4ZZ -0.00061 -0.00103 -0.00057 -0.00030 -0.00056 118 4XY -0.00106 -0.00293 0.00498 -0.00977 -0.00261 119 4XZ 0.00023 0.00279 -0.00257 0.00407 0.00064 120 4YZ -0.00060 0.00091 -0.00310 0.00372 0.00189 121 9 H 1S 0.01405 -0.07194 0.08351 -0.08171 -0.01491 122 2S 0.00426 -0.03726 0.03543 -0.04122 -0.00818 123 10 H 1S 0.02260 -0.03195 0.03958 0.02768 0.01050 124 2S 0.01294 -0.02264 0.03335 0.00448 0.00556 125 11 H 1S 0.00071 -0.07182 0.12080 -0.12149 -0.01236 126 2S 0.00253 -0.03775 0.06760 -0.06428 -0.00476 127 12 H 1S 0.03573 -0.02177 0.06585 0.06028 0.03823 128 2S 0.01846 -0.01616 0.04443 0.02238 0.02025 129 13 H 1S 0.00146 -0.06626 0.08138 -0.08864 -0.02116 130 2S -0.00384 -0.03845 0.04467 -0.03518 -0.00945 131 14 O 1S 0.03073 0.03703 -0.01078 0.00178 0.01264 132 2S -0.07211 -0.08687 0.02444 -0.00293 -0.02718 133 2PX -0.01366 -0.06768 0.06307 0.14055 0.06946 134 2PY -0.10583 -0.10279 0.04692 -0.06830 -0.03985 135 2PZ 0.03083 0.12211 -0.04002 -0.06169 0.04395 136 3S -0.10265 -0.12743 0.04059 -0.01367 -0.05903 137 3PX -0.00823 -0.03886 0.03816 0.08792 0.04258 138 3PY -0.06145 -0.05821 0.02707 -0.04028 -0.01943 139 3PZ 0.01686 0.07139 -0.02143 -0.03890 0.02565 140 4XX -0.00244 -0.00397 0.00126 -0.00094 -0.00044 141 4YY 0.00719 0.00395 -0.00271 0.00655 0.00121 142 4ZZ -0.00212 0.00335 -0.00078 -0.00423 0.00271 143 4XY 0.00098 0.00425 -0.00464 -0.00880 -0.00521 144 4XZ -0.00007 -0.00188 0.00165 0.00523 0.00301 145 4YZ -0.00351 -0.00884 0.00270 0.00186 -0.00342 146 15 C 1S 0.00186 0.00342 0.00432 -0.01830 0.03358 147 2S -0.00357 -0.00589 -0.00710 0.03917 -0.07073 148 2PX 0.08288 -0.08410 -0.02925 0.03220 -0.10523 149 2PY 0.08327 -0.03375 0.01885 -0.00814 -0.04053 150 2PZ 0.05498 -0.05978 0.01696 0.09018 -0.02628 151 3S -0.00478 -0.01366 -0.02944 0.02576 -0.01117 152 3PX 0.01785 -0.03526 -0.01037 0.02549 -0.09023 153 3PY 0.02548 -0.02067 0.00323 0.01163 -0.05469 154 3PZ 0.00441 -0.02193 0.00576 0.03663 -0.04121 155 4XX -0.00052 -0.00103 0.00044 0.00222 -0.00679 156 4YY 0.00120 0.00238 0.00028 -0.00212 0.00505 157 4ZZ -0.00064 -0.00208 -0.00029 0.00052 0.00339 158 4XY 0.00113 0.00170 0.00206 0.00294 -0.00621 159 4XZ -0.00154 -0.00297 0.00179 0.00414 -0.00431 160 4YZ 0.00082 0.00003 0.00630 0.00522 -0.00783 161 16 C 1S -0.00960 -0.01088 0.01460 0.02870 -0.04450 162 2S 0.01742 0.02430 -0.02877 -0.05841 0.09153 163 2PX 0.03698 -0.06224 -0.06655 -0.00065 0.03998 164 2PY -0.07554 0.02459 0.01155 0.06902 -0.01641 165 2PZ 0.11309 -0.08342 -0.06872 -0.03180 0.09206 166 3S 0.03249 0.00363 -0.02433 -0.03821 0.04381 167 3PX 0.01955 -0.02412 -0.03385 -0.01784 0.03730 168 3PY -0.02123 0.00482 0.00587 0.03567 -0.04073 169 3PZ 0.05095 -0.02271 -0.03392 -0.03222 0.09622 170 4XX 0.00023 -0.00074 0.00133 0.00043 -0.00353 171 4YY -0.00064 -0.00052 -0.00010 0.00390 -0.00153 172 4ZZ 0.00335 -0.00098 -0.00344 -0.00562 0.00689 173 4XY -0.00153 0.00008 0.00133 0.00368 -0.00739 174 4XZ 0.00305 0.00013 -0.00018 -0.00360 0.00520 175 4YZ -0.00105 0.00099 0.00528 0.00414 -0.00735 176 17 C 1S -0.00292 0.01201 -0.01413 -0.02668 0.04304 177 2S 0.00470 -0.02327 0.03056 0.05547 -0.08957 178 2PX -0.02194 0.06778 0.02799 -0.06061 0.01454 179 2PY -0.10028 0.11384 0.05944 -0.04888 0.06055 180 2PZ 0.05460 -0.00099 -0.00461 -0.02708 -0.01743 181 3S 0.02228 -0.03261 0.00466 0.03067 -0.03794 182 3PX -0.00565 0.02468 0.00235 -0.03164 0.02359 183 3PY -0.03578 0.04787 0.00706 -0.04811 0.08206 184 3PZ 0.02003 -0.00614 0.00017 0.00202 -0.02986 185 4XX 0.00044 0.00099 -0.00134 -0.00342 0.00359 186 4YY 0.00210 -0.00331 0.00088 0.00617 -0.00911 187 4ZZ 0.00028 -0.00071 -0.00103 -0.00142 0.00430 188 4XY 0.00119 -0.00029 0.00042 0.00127 -0.00408 189 4XZ 0.00007 0.00076 -0.00073 -0.00314 0.00545 190 4YZ -0.00048 0.00362 -0.00032 -0.00486 0.00632 191 18 C 1S -0.00441 0.00411 0.01804 0.02319 -0.04152 192 2S 0.00782 -0.00701 -0.03584 -0.04766 0.08519 193 2PX -0.08060 0.07061 0.08852 0.04284 -0.10796 194 2PY -0.03469 0.08906 0.06652 -0.02282 -0.07375 195 2PZ -0.07169 0.01890 0.06117 0.07547 -0.06832 196 3S 0.01918 -0.02082 -0.03201 -0.02855 0.03882 197 3PX -0.02983 0.02496 0.04698 0.03788 -0.08833 198 3PY -0.01497 0.03011 0.03553 0.00824 -0.05821 199 3PZ -0.02402 0.00832 0.03205 0.04312 -0.05917 200 4XX 0.00113 -0.00146 -0.00324 -0.00304 0.00656 201 4YY 0.00143 0.00062 0.00049 -0.00033 -0.00254 202 4ZZ 0.00012 -0.00159 -0.00013 0.00211 -0.00086 203 4XY 0.00179 -0.00021 -0.00341 -0.00484 0.00765 204 4XZ 0.00068 -0.00224 -0.00351 -0.00231 0.00764 205 4YZ 0.00065 -0.00052 -0.00323 -0.00424 0.00970 206 19 C 1S -0.01084 -0.00267 -0.01515 -0.01957 0.04385 207 2S 0.02082 0.00661 0.03252 0.04083 -0.09145 208 2PX -0.06179 0.00538 0.02385 0.03306 0.02298 209 2PY 0.03370 -0.07423 -0.01720 0.07553 -0.01595 210 2PZ -0.10164 0.06687 0.05231 -0.01131 0.05428 211 3S 0.03694 -0.00410 0.00827 0.01423 -0.03710 212 3PX -0.02237 0.00262 0.00155 -0.00258 0.03561 213 3PY 0.01277 -0.02397 0.00163 0.03236 -0.03255 214 3PZ -0.03770 0.02224 0.00437 -0.02609 0.07402 215 4XX -0.00031 -0.00152 -0.00146 -0.00002 0.00224 216 4YY 0.00107 0.00066 -0.00074 -0.00336 0.00329 217 4ZZ 0.00237 -0.00106 0.00090 0.00385 -0.00683 218 4XY -0.00077 -0.00026 -0.00093 -0.00232 0.00640 219 4XZ 0.00123 -0.00164 0.00043 0.00383 -0.00470 220 4YZ -0.00248 -0.00103 -0.00094 -0.00071 0.00742 221 20 C 1S 0.00160 0.01927 0.01691 0.01282 -0.04486 222 2S -0.00480 -0.03794 -0.03289 -0.02545 0.09231 223 2PX 0.03970 -0.01760 -0.05644 -0.07204 0.02941 224 2PY 0.10511 -0.09575 -0.07323 -0.04023 0.10405 225 2PZ -0.02915 0.05885 0.01367 -0.04043 -0.01376 226 3S 0.00461 -0.04753 -0.03507 -0.01136 0.05182 227 3PX 0.01609 -0.00876 -0.02833 -0.04064 0.03002 228 3PY 0.04728 -0.03640 -0.04056 -0.03375 0.10754 229 3PZ -0.01427 0.02152 0.01269 -0.01225 -0.02407 230 4XX 0.00054 -0.00002 0.00126 0.00230 -0.00470 231 4YY 0.00156 -0.00377 -0.00465 -0.00454 0.00993 232 4ZZ 0.00047 0.00102 0.00136 0.00127 -0.00274 233 4XY 0.00127 -0.00231 0.00009 0.00041 0.00511 234 4XZ -0.00010 0.00016 0.00107 0.00202 -0.00602 235 4YZ -0.00024 0.00122 0.00428 0.00471 -0.00636 236 21 H 1S 0.05938 -0.07348 -0.06372 -0.04176 0.10556 237 2S 0.02467 -0.04275 -0.02982 -0.02363 0.03667 238 22 H 1S 0.07455 -0.04376 -0.01756 0.03559 -0.08083 239 2S 0.04227 -0.02689 -0.01793 0.01487 -0.03201 240 23 H 1S 0.06253 -0.05888 -0.08725 -0.05653 0.12934 241 2S 0.03637 -0.03508 -0.04773 -0.02654 0.06662 242 24 H 1S 0.06314 -0.07730 -0.02082 0.05854 -0.08267 243 2S 0.03711 -0.04309 -0.01905 0.02736 -0.03375 244 25 H 1S 0.08490 -0.04687 -0.06271 -0.06137 0.10009 245 2S 0.05005 -0.03327 -0.03934 -0.03671 0.03495 246 26 O 1S 0.01993 0.00582 0.02600 0.01734 0.00703 247 2S -0.04401 -0.01042 -0.05836 -0.04141 -0.01729 248 2PX -0.17915 -0.04670 -0.12224 -0.13271 0.02136 249 2PY -0.07350 0.05936 0.10242 0.04618 0.17736 250 2PZ 0.28033 0.22791 0.06290 -0.10607 -0.07960 251 3S -0.08210 -0.03147 -0.10626 -0.06678 -0.02508 252 3PX -0.11506 -0.02993 -0.07619 -0.08681 0.01695 253 3PY -0.04647 0.03774 0.06606 0.03179 0.11669 254 3PZ 0.17696 0.14544 0.04013 -0.07162 -0.05560 255 4XX 0.01981 0.00785 0.00937 0.00667 -0.00505 256 4YY -0.00569 0.00232 0.00225 -0.00272 0.00731 257 4ZZ -0.00331 -0.00164 -0.00315 -0.00131 -0.00305 258 4XY -0.00022 -0.00331 -0.00898 -0.00584 -0.00794 259 4XZ -0.02081 -0.01802 -0.00330 0.00937 0.00672 260 4YZ 0.01028 0.00518 0.00007 -0.00340 -0.00559 261 27 H 1S 0.16599 0.10563 0.05839 -0.00123 -0.04106 262 2S 0.07723 0.05067 0.02468 -0.00794 -0.02133 263 28 H 1S 0.03682 0.07038 0.11550 -0.01042 0.08420 264 2S 0.01408 0.03088 0.06499 -0.01302 0.05092 36 37 38 39 40 O O O O O Eigenvalues -- -0.63463 -0.62494 -0.61079 -0.59982 -0.59313 1 1 C 1S -0.00123 0.00667 0.01691 -0.00067 -0.00350 2 2S 0.00256 -0.01352 -0.03475 0.00358 0.00564 3 2PX 0.00888 -0.00597 0.05252 0.01867 0.07305 4 2PY 0.04084 0.00704 0.08835 -0.04006 0.06019 5 2PZ -0.00111 -0.00433 0.05604 -0.09661 -0.11302 6 3S 0.00332 -0.02191 -0.05693 0.00463 0.04078 7 3PX 0.00373 0.01984 0.03213 0.02620 0.05802 8 3PY 0.01289 0.02379 0.04535 -0.01684 0.00706 9 3PZ -0.00041 -0.01055 0.03712 -0.05324 -0.04648 10 4XX 0.00174 0.00288 0.00135 0.00202 0.00652 11 4YY -0.00243 -0.00398 0.00123 -0.00057 -0.00299 12 4ZZ 0.00047 0.00103 -0.00114 -0.00293 -0.00458 13 4XY -0.00415 -0.00371 -0.00055 0.00510 0.00322 14 4XZ -0.00073 0.00909 -0.00070 -0.00290 -0.01163 15 4YZ 0.00456 0.00194 0.00034 -0.00058 0.00903 16 2 C 1S 0.02301 0.00988 -0.00318 0.01263 -0.00139 17 2S -0.05637 -0.02058 0.01012 -0.02576 -0.00164 18 2PX 0.02846 0.03628 -0.01368 -0.11806 -0.03210 19 2PY -0.19259 0.01133 0.09331 0.05269 -0.19104 20 2PZ 0.07184 -0.01495 0.03498 0.02924 0.15407 21 3S -0.03314 -0.02599 -0.01759 -0.06003 0.04165 22 3PX -0.00175 0.03779 -0.00750 -0.04155 0.00387 23 3PY -0.02378 0.00570 0.03100 0.03486 -0.01296 24 3PZ 0.00678 -0.01870 0.02685 0.00069 0.02113 25 4XX 0.00720 0.00189 -0.00565 0.00402 0.01544 26 4YY -0.00253 -0.00323 0.00659 -0.00222 -0.00973 27 4ZZ 0.00135 0.00116 -0.00255 -0.00092 0.00051 28 4XY -0.00703 0.00268 -0.00154 -0.00119 -0.00194 29 4XZ 0.00024 -0.00062 0.00141 0.00153 -0.00613 30 4YZ 0.00886 0.00006 -0.00006 -0.00011 0.01097 31 3 C 1S -0.04373 0.00389 -0.01300 -0.03615 0.01200 32 2S 0.09112 -0.00842 0.02583 0.07523 -0.02484 33 2PX -0.10554 0.06148 0.02184 0.20481 -0.01469 34 2PY -0.06472 0.08271 -0.08618 0.01281 0.13364 35 2PZ 0.06116 -0.03771 0.03456 -0.08269 -0.00097 36 3S 0.05008 -0.01442 0.03163 0.06279 -0.02144 37 3PX -0.09546 0.02521 0.00421 0.04690 -0.02803 38 3PY 0.00181 0.01317 -0.01283 0.01958 0.02133 39 3PZ 0.04241 -0.00532 0.01437 -0.01810 0.02300 40 4XX -0.00103 0.00090 -0.00384 0.00487 0.00374 41 4YY 0.00120 -0.00212 0.00332 -0.00857 -0.00422 42 4ZZ -0.00284 0.00114 -0.00041 0.00108 0.00033 43 4XY -0.00589 0.00066 0.00220 0.00692 -0.00218 44 4XZ 0.00106 -0.00117 0.00045 -0.00490 -0.00208 45 4YZ 0.00215 0.00022 -0.00107 -0.00099 0.00334 46 4 C 1S 0.02939 0.00269 0.00131 -0.00147 -0.00393 47 2S -0.06253 -0.00566 -0.00247 0.00387 0.00558 48 2PX 0.07518 -0.09896 0.02606 -0.19060 -0.06271 49 2PY -0.06621 0.03442 -0.01545 -0.13690 0.11588 50 2PZ -0.01621 0.03691 0.00456 0.11619 0.01112 51 3S -0.01488 0.00032 0.00110 0.02561 0.03610 52 3PX 0.00099 -0.03617 0.01955 -0.06723 -0.03822 53 3PY -0.07997 0.01344 -0.01446 -0.09654 0.04732 54 3PZ 0.01554 0.01200 0.00347 0.05173 0.01030 55 4XX 0.00556 0.00043 0.00076 0.00832 -0.00386 56 4YY -0.00811 -0.00039 -0.00235 -0.01520 0.00687 57 4ZZ 0.00149 0.00083 0.00118 0.00285 -0.00002 58 4XY -0.00248 0.00316 0.00158 0.00871 0.00159 59 4XZ -0.00125 -0.00106 -0.00137 -0.00626 0.00046 60 4YZ 0.00332 -0.00128 -0.00046 0.00013 -0.00287 61 5 C 1S -0.02854 0.00055 0.00127 -0.00813 0.00408 62 2S 0.05786 -0.00042 -0.00340 0.01711 -0.00699 63 2PX 0.07076 0.04477 0.04594 0.09216 0.01179 64 2PY 0.13633 -0.10907 0.08714 -0.05412 -0.14901 65 2PZ -0.05867 0.00583 -0.03181 -0.02391 0.03180 66 3S 0.03305 -0.00323 -0.00630 -0.01050 -0.01282 67 3PX 0.07132 0.01751 0.02636 0.06088 0.00001 68 3PY 0.07146 -0.03642 0.02876 -0.01249 -0.04718 69 3PZ -0.04401 0.00132 -0.01483 -0.02120 0.01316 70 4XX 0.01025 -0.00279 0.00514 0.00658 -0.00822 71 4YY -0.00802 0.00259 -0.00398 -0.00569 0.00689 72 4ZZ 0.00063 0.00035 0.00077 0.00078 0.00006 73 4XY 0.00372 0.00338 -0.00079 0.00069 0.00369 74 4XZ -0.00679 0.00056 -0.00285 -0.00387 0.00305 75 4YZ -0.00006 -0.00196 0.00137 0.00105 -0.00298 76 6 C 1S 0.03340 -0.00160 0.00717 0.02423 -0.01009 77 2S -0.06986 0.00351 -0.01614 -0.05277 0.02205 78 2PX -0.07567 0.05701 0.03587 0.19242 -0.00500 79 2PY -0.06769 0.08997 -0.09938 0.00796 0.14715 80 2PZ 0.04558 -0.04122 0.00934 -0.08043 -0.02508 81 3S -0.02836 0.00278 -0.00575 -0.02261 0.01753 82 3PX -0.05900 0.02097 0.01269 0.06078 -0.00073 83 3PY 0.00859 0.03291 -0.03860 0.01373 0.06116 84 3PZ 0.02260 -0.01485 0.00490 -0.02676 -0.01079 85 4XX 0.00058 -0.00278 0.00357 -0.00380 -0.00417 86 4YY -0.00356 0.00306 -0.00163 0.00827 0.00207 87 4ZZ 0.00287 -0.00042 0.00033 -0.00039 -0.00034 88 4XY 0.00915 -0.00073 -0.00239 -0.00428 0.00262 89 4XZ -0.00125 0.00135 -0.00139 0.00301 0.00117 90 4YZ -0.00255 -0.00039 0.00162 0.00011 -0.00144 91 7 C 1S -0.03310 0.00124 0.00025 -0.00392 -0.00463 92 2S 0.06730 -0.00209 -0.00078 0.00670 0.00975 93 2PX 0.08370 -0.10269 0.02632 -0.14442 -0.08434 94 2PY -0.13268 0.04377 -0.04652 -0.18893 0.09611 95 2PZ -0.00887 0.03746 0.00378 0.10239 0.02080 96 3S 0.03832 -0.00246 -0.00569 -0.00735 0.01207 97 3PX 0.02345 -0.03355 0.00683 -0.05081 -0.02554 98 3PY -0.09890 0.01798 -0.02564 -0.11205 0.04637 99 3PZ 0.00996 0.01125 0.00483 0.04465 0.00412 100 4XX -0.00695 -0.00005 -0.00165 -0.00933 0.00180 101 4YY 0.01148 0.00003 0.00307 0.01714 -0.00332 102 4ZZ -0.00169 -0.00043 -0.00043 -0.00221 -0.00016 103 4XY 0.00500 -0.00390 -0.00117 -0.00371 -0.00187 104 4XZ 0.00135 0.00085 0.00082 0.00495 -0.00066 105 4YZ -0.00526 0.00184 0.00018 -0.00241 0.00187 106 8 C 1S 0.03331 -0.00382 -0.00448 0.02031 0.00318 107 2S -0.06965 0.00783 0.00874 -0.04341 -0.00541 108 2PX 0.03778 0.04976 0.01939 0.05656 0.04794 109 2PY 0.16032 -0.10736 0.09415 -0.02273 -0.14170 110 2PZ -0.04904 0.00656 -0.01626 -0.01430 0.01693 111 3S -0.04498 -0.00150 0.02088 -0.02310 -0.03452 112 3PX 0.06354 0.01619 0.02093 0.05736 0.01295 113 3PY 0.07037 -0.04136 0.04209 -0.00248 -0.06614 114 3PZ -0.04095 0.00656 -0.01067 -0.01816 0.01153 115 4XX -0.01235 0.00268 -0.00538 -0.00747 0.00533 116 4YY 0.01062 -0.00296 0.00532 0.00595 -0.00557 117 4ZZ -0.00085 0.00018 -0.00116 0.00024 -0.00052 118 4XY -0.00286 -0.00312 0.00212 0.00099 -0.00557 119 4XZ 0.00774 -0.00103 0.00254 0.00371 -0.00095 120 4YZ -0.00092 0.00246 -0.00130 -0.00119 0.00428 121 9 H 1S -0.09954 -0.00082 -0.03347 -0.04479 0.00305 122 2S -0.04751 0.00081 -0.02049 -0.01155 -0.00044 123 10 H 1S 0.10427 -0.01444 0.02597 0.14358 -0.04410 124 2S 0.05581 -0.01004 0.01685 0.09756 -0.03152 125 11 H 1S -0.04804 -0.00335 0.04706 0.06780 -0.04834 126 2S -0.01779 -0.00275 0.03582 0.05902 -0.03809 127 12 H 1S 0.10550 0.00007 0.04766 0.05353 -0.03687 128 2S 0.05500 -0.00089 0.03381 0.03190 -0.02810 129 13 H 1S -0.06047 0.00740 -0.01077 -0.10969 0.06708 130 2S -0.00629 0.00448 -0.00819 -0.06893 0.05489 131 14 O 1S -0.04656 0.00045 0.00972 -0.00088 -0.03001 132 2S 0.10565 0.00146 -0.02218 0.00431 0.06954 133 2PX -0.01227 0.05338 -0.02905 -0.14180 -0.01547 134 2PY 0.24374 -0.00749 -0.02672 0.02838 0.27078 135 2PZ -0.15451 -0.01895 0.12161 0.05462 -0.11745 136 3S 0.19506 -0.01020 -0.04338 -0.00785 0.12665 137 3PX -0.00948 0.03224 -0.01745 -0.09443 -0.01125 138 3PY 0.14194 -0.00194 -0.01389 0.02051 0.16817 139 3PZ -0.09101 -0.01294 0.07816 0.03318 -0.07088 140 4XX 0.00504 0.00117 -0.00195 0.00078 0.00632 141 4YY -0.01253 0.00126 -0.00141 -0.00171 -0.01519 142 4ZZ -0.00271 0.00030 0.00577 0.00326 0.00116 143 4XY -0.00031 -0.00273 0.00082 0.00826 0.00051 144 4XZ -0.00049 0.00144 -0.00034 -0.00474 -0.00148 145 4YZ 0.01304 0.00055 -0.00704 -0.00191 0.01058 146 15 C 1S 0.00550 -0.03299 -0.03974 0.00334 -0.00163 147 2S -0.01086 0.06683 0.08227 -0.00804 0.00254 148 2PX -0.01734 -0.03510 -0.11553 0.05588 0.01151 149 2PY 0.04778 0.12686 -0.15928 -0.01309 -0.10881 150 2PZ -0.04980 -0.13850 0.01049 0.03930 0.05065 151 3S -0.01033 0.06593 0.08233 -0.01493 -0.00312 152 3PX -0.01102 0.01693 -0.02709 0.03368 0.00901 153 3PY 0.00961 0.06194 -0.04456 0.00097 -0.02980 154 3PZ -0.01562 -0.02426 0.01629 0.02493 0.01542 155 4XX -0.00044 -0.00068 -0.00481 0.00178 -0.00049 156 4YY 0.00035 -0.00324 0.00540 0.00013 0.00589 157 4ZZ 0.00048 0.00226 -0.00338 -0.00224 -0.00709 158 4XY -0.00084 -0.00197 0.00093 0.00283 0.00514 159 4XZ -0.00098 0.00348 -0.00479 -0.00034 -0.00653 160 4YZ -0.00098 -0.00087 -0.00427 0.00126 -0.00005 161 16 C 1S -0.01309 0.00858 0.00010 0.00113 -0.01237 162 2S 0.02793 -0.01648 0.00029 -0.00205 0.02624 163 2PX -0.05141 -0.11730 0.04566 0.02302 0.01580 164 2PY -0.06243 -0.09314 0.20001 0.00606 0.09362 165 2PZ -0.00484 -0.07141 -0.08411 0.00680 -0.07606 166 3S 0.02413 -0.00268 0.01466 -0.00295 0.03675 167 3PX -0.02345 -0.05873 -0.00281 0.00951 -0.00056 168 3PY -0.03272 -0.02594 0.07898 0.00920 0.03602 169 3PZ 0.00542 -0.05546 -0.05660 -0.00330 -0.04286 170 4XX 0.00070 0.00177 -0.00503 0.00078 -0.00048 171 4YY -0.00193 0.00094 0.01106 -0.00140 0.00112 172 4ZZ 0.00156 -0.00412 -0.00937 0.00140 -0.00267 173 4XY -0.00047 0.00363 0.00432 0.00028 0.00287 174 4XZ 0.00259 -0.00163 -0.01080 0.00089 -0.00274 175 4YZ 0.00091 0.00426 -0.00326 0.00009 0.00068 176 17 C 1S 0.00762 -0.01086 -0.00538 -0.00362 -0.00368 177 2S -0.01495 0.02150 0.01020 0.00774 0.00973 178 2PX 0.06640 0.10336 -0.08508 -0.01441 -0.00953 179 2PY 0.03211 -0.07428 -0.12083 0.03516 0.07578 180 2PZ 0.06144 0.18565 -0.00257 -0.05331 -0.08276 181 3S -0.01785 0.00318 -0.00252 0.00537 -0.00749 182 3PX 0.02204 0.02511 -0.04216 -0.00220 -0.00441 183 3PY 0.02012 -0.05170 -0.06887 0.01308 0.02900 184 3PZ 0.01344 0.07313 0.00668 -0.01774 -0.03456 185 4XX 0.00205 0.00180 -0.00043 -0.00070 0.00140 186 4YY -0.00209 0.00695 0.00834 -0.00228 -0.00478 187 4ZZ -0.00056 -0.00666 -0.00468 0.00173 0.00097 188 4XY 0.00112 0.00882 0.00601 -0.00252 -0.00136 189 4XZ 0.00142 -0.00295 -0.00402 0.00072 0.00210 190 4YZ 0.00404 0.00381 -0.00019 -0.00173 0.00220 191 18 C 1S -0.00623 0.01901 0.02291 -0.00243 0.00127 192 2S 0.01265 -0.04051 -0.04971 0.00568 -0.00294 193 2PX -0.02214 -0.05331 -0.12530 0.05168 -0.00523 194 2PY 0.05063 0.11688 -0.16401 0.00109 -0.10216 195 2PZ -0.06498 -0.15744 -0.02102 0.05695 0.06534 196 3S 0.01143 -0.01330 -0.02308 0.00542 0.00313 197 3PX -0.01419 -0.00353 -0.04051 0.02427 -0.00055 198 3PY 0.01624 0.05118 -0.05567 0.00314 -0.03635 199 3PZ -0.02934 -0.04518 -0.00374 0.02422 0.02301 200 4XX 0.00096 -0.00063 0.00327 -0.00161 0.00149 201 4YY 0.00113 0.00533 -0.00257 -0.00113 -0.00572 202 4ZZ -0.00147 -0.00302 0.00395 0.00100 0.00485 203 4XY 0.00260 0.00255 -0.00058 -0.00269 -0.00395 204 4XZ 0.00002 -0.00407 0.00445 -0.00061 0.00473 205 4YZ 0.00180 -0.00089 0.00240 -0.00253 -0.00001 206 19 C 1S 0.00569 -0.01296 -0.00375 -0.00307 0.00512 207 2S -0.01185 0.02634 0.00572 0.00632 -0.01177 208 2PX -0.05410 -0.16395 -0.01182 0.01944 0.00491 209 2PY -0.06465 -0.10344 0.17577 0.00506 0.10370 210 2PZ -0.01452 -0.12063 -0.14483 0.01014 -0.08736 211 3S -0.00422 0.00875 0.00290 0.00432 -0.00791 212 3PX -0.01426 -0.07282 -0.01938 0.00736 -0.00226 213 3PY -0.01759 -0.02144 0.07428 0.00373 0.04504 214 3PZ -0.00221 -0.07194 -0.07860 0.00137 -0.04405 215 4XX -0.00115 -0.00303 0.00276 -0.00049 0.00064 216 4YY 0.00247 0.00038 -0.00818 0.00088 -0.00176 217 4ZZ -0.00105 0.00552 0.01018 -0.00077 0.00413 218 4XY 0.00043 -0.00517 -0.00557 -0.00013 -0.00321 219 4XZ -0.00230 0.00119 0.00984 -0.00084 0.00297 220 4YZ -0.00143 -0.00763 -0.00014 -0.00119 -0.00246 221 20 C 1S -0.00124 0.01772 0.01100 0.00603 0.01068 222 2S 0.00258 -0.03801 -0.02241 -0.01293 -0.02117 223 2PX 0.05921 0.13530 -0.03881 -0.01194 -0.00962 224 2PY 0.03222 -0.03049 -0.05572 0.02143 0.06139 225 2PZ 0.05211 0.19442 0.01063 -0.05134 -0.08288 226 3S -0.00554 -0.00939 -0.00979 -0.00515 -0.02966 227 3PX 0.02722 0.03494 -0.02671 -0.00031 -0.00294 228 3PY 0.01000 -0.04334 -0.04327 0.00136 0.01471 229 3PZ 0.02574 0.07828 0.01156 -0.01480 -0.03035 230 4XX -0.00163 -0.00260 -0.00129 0.00127 0.00003 231 4YY 0.00161 -0.00634 -0.00610 0.00189 0.00361 232 4ZZ 0.00105 0.00783 0.00583 -0.00240 -0.00100 233 4XY -0.00120 -0.00971 -0.00650 0.00201 0.00007 234 4XZ -0.00115 0.00295 0.00244 -0.00029 -0.00120 235 4YZ -0.00322 -0.00562 -0.00237 0.00162 -0.00139 236 21 H 1S 0.02061 -0.04746 -0.05161 0.01560 0.03874 237 2S 0.02837 -0.02241 -0.02927 0.01818 0.04582 238 22 H 1S -0.00210 0.08720 0.12427 -0.00541 0.06512 239 2S -0.00131 0.05207 0.08360 -0.00530 0.04601 240 23 H 1S 0.02090 0.01569 0.08534 -0.03879 0.01173 241 2S 0.01164 0.01964 0.06914 -0.02829 0.00930 242 24 H 1S -0.02571 0.06843 0.08866 -0.02378 -0.05387 243 2S -0.01434 0.04179 0.05913 -0.01893 -0.04212 244 25 H 1S 0.01171 -0.05278 -0.08747 0.00803 -0.04740 245 2S -0.00093 -0.02717 -0.06446 0.01441 -0.03559 246 26 O 1S 0.00279 -0.02466 -0.00600 -0.01424 0.00182 247 2S -0.00578 0.05517 0.01609 0.03076 -0.00035 248 2PX 0.00693 0.16185 0.09283 0.05828 0.04740 249 2PY 0.05855 0.02736 0.12354 -0.12521 0.00188 250 2PZ 0.05737 -0.02125 0.04593 0.00034 0.16255 251 3S -0.01376 0.10817 0.01718 0.06536 -0.02453 252 3PX 0.00701 0.11266 0.06617 0.03816 0.03537 253 3PY 0.04279 0.02155 0.08536 -0.08756 0.00280 254 3PZ 0.03814 -0.01498 0.03503 -0.00126 0.11805 255 4XX 0.00025 -0.01208 -0.00586 -0.00353 0.00036 256 4YY 0.00188 0.00344 0.00656 -0.00374 0.00173 257 4ZZ -0.00016 0.00092 -0.00047 0.00160 0.00185 258 4XY -0.00232 0.00171 -0.00348 0.00748 0.00209 259 4XZ -0.00476 0.00236 -0.00294 -0.00010 -0.01307 260 4YZ 0.00022 -0.00097 -0.00040 0.00141 0.00387 261 27 H 1S 0.02082 -0.06001 -0.01254 -0.01795 0.04887 262 2S 0.01295 -0.03266 -0.00702 -0.00733 0.03514 263 28 H 1S 0.02142 -0.00379 0.02777 -0.03621 0.00561 264 2S 0.02398 -0.00649 0.02235 -0.02395 0.01732 41 42 43 44 45 O O O O O Eigenvalues -- -0.58871 -0.58445 -0.54987 -0.53143 -0.51651 1 1 C 1S 0.00093 -0.00137 0.00194 0.00478 0.01341 2 2S -0.00031 0.00618 -0.01287 -0.00769 -0.02447 3 2PX -0.04032 0.03365 -0.16462 0.03176 0.04991 4 2PY -0.07224 -0.04340 0.13695 -0.07686 -0.02569 5 2PZ 0.02606 -0.05930 -0.04326 0.01204 0.01372 6 3S -0.02011 -0.00598 0.06298 -0.03388 -0.06315 7 3PX -0.03036 0.01942 -0.03300 -0.00679 0.03153 8 3PY -0.02495 -0.01998 0.07815 -0.05466 -0.01809 9 3PZ 0.00688 -0.02895 -0.02417 -0.01090 0.02461 10 4XX -0.00333 0.00218 0.00736 0.00199 0.00437 11 4YY -0.00062 -0.00294 0.01357 -0.00020 -0.01010 12 4ZZ 0.00371 0.00048 -0.02101 -0.00252 0.00629 13 4XY 0.00093 0.00412 -0.00466 0.00581 0.00388 14 4XZ 0.00571 -0.00202 0.00566 -0.00391 0.00414 15 4YZ -0.00420 -0.00173 0.01355 -0.00982 0.00227 16 2 C 1S -0.00063 -0.00110 0.01708 -0.00956 -0.01710 17 2S 0.00304 0.00215 -0.03254 0.02236 0.03652 18 2PX -0.01075 -0.06533 0.10863 0.08428 0.06392 19 2PY 0.06697 0.02150 0.06758 0.08369 -0.04482 20 2PZ -0.10571 0.03222 -0.01772 0.18808 0.04197 21 3S -0.01043 0.00100 -0.10370 0.03339 0.07621 22 3PX -0.01714 -0.02449 0.09349 0.04172 0.02420 23 3PY -0.00402 0.01056 0.02821 0.06153 -0.00359 24 3PZ -0.02809 0.01327 -0.01125 0.11491 0.02011 25 4XX -0.00672 0.00074 -0.00034 0.00252 0.00045 26 4YY 0.00129 -0.00035 0.00426 0.01543 0.00004 27 4ZZ 0.00237 -0.00049 -0.00565 -0.01711 -0.00045 28 4XY 0.00064 0.00295 0.00038 0.00570 0.00359 29 4XZ 0.00386 -0.00070 0.00220 -0.00020 -0.00116 30 4YZ -0.00714 -0.00139 0.00279 0.00479 0.00009 31 3 C 1S 0.00113 -0.00307 -0.00856 -0.00275 0.01217 32 2S -0.00335 0.00598 0.01664 0.00961 -0.02669 33 2PX -0.01118 0.02397 0.00623 0.05966 -0.04017 34 2PY -0.06962 -0.07233 0.01573 0.03792 0.02530 35 2PZ -0.01094 0.01395 0.05160 0.15315 0.05777 36 3S 0.00553 0.00808 -0.00195 0.00093 -0.01743 37 3PX 0.01356 0.01206 -0.01025 0.02495 -0.01429 38 3PY -0.01227 -0.02025 0.00627 0.02012 0.00100 39 3PZ -0.02146 0.00284 0.04085 0.09186 0.03694 40 4XX -0.00381 -0.00821 -0.00335 0.00022 0.00246 41 4YY 0.00447 0.00881 0.00195 0.00271 0.00078 42 4ZZ -0.00043 -0.00099 0.00019 -0.00131 -0.00163 43 4XY 0.00029 0.00027 0.00107 0.00030 -0.01044 44 4XZ 0.00278 0.00368 0.00064 0.00000 0.00151 45 4YZ -0.00244 -0.00215 -0.00151 0.00033 0.00428 46 4 C 1S 0.00240 0.00990 0.01368 0.00214 -0.00576 47 2S -0.00436 -0.02266 -0.02924 -0.00559 0.01427 48 2PX 0.01625 -0.05616 -0.00477 0.04002 0.13907 49 2PY 0.03977 0.21229 0.02542 0.02583 -0.10569 50 2PZ -0.03075 -0.01877 0.03093 0.10335 -0.00073 51 3S -0.01791 -0.00332 -0.00678 0.00101 -0.01005 52 3PX 0.02077 -0.00797 -0.00204 0.01697 0.04654 53 3PY 0.02613 0.09349 -0.00627 0.01418 -0.03930 54 3PZ -0.02332 -0.01336 0.02275 0.07541 0.00981 55 4XX -0.00049 -0.00351 0.00096 -0.00237 0.00141 56 4YY 0.00196 0.00714 -0.00179 -0.00232 -0.00416 57 4ZZ -0.00045 0.00168 0.00209 0.00445 -0.00012 58 4XY 0.00228 0.01093 -0.00070 -0.00262 -0.00895 59 4XZ 0.00075 -0.00103 -0.00123 -0.00251 0.00080 60 4YZ -0.00082 -0.00653 -0.00083 -0.00442 0.00296 61 5 C 1S 0.00631 0.01804 -0.00652 -0.00148 0.00176 62 2S -0.01415 -0.03955 0.01351 0.00226 -0.00249 63 2PX 0.05237 0.23630 0.06096 0.04077 -0.11782 64 2PY 0.05903 0.03353 0.00962 0.01520 0.11183 65 2PZ -0.04254 -0.10345 -0.00279 0.07675 0.05512 66 3S -0.00686 -0.03311 0.00201 0.00788 0.00709 67 3PX 0.02018 0.10586 0.04685 0.02263 -0.06865 68 3PY 0.01491 0.01512 0.00971 0.01531 0.04800 69 3PZ -0.01593 -0.04683 -0.00779 0.04411 0.03789 70 4XX 0.00376 0.00621 0.00167 -0.00299 -0.00175 71 4YY -0.00207 -0.00246 -0.00211 -0.00033 -0.00007 72 4ZZ 0.00047 0.00294 0.00201 0.00340 -0.00087 73 4XY 0.00137 0.01054 0.00612 -0.00018 -0.01343 74 4XZ -0.00153 -0.00539 -0.00383 -0.00409 0.00228 75 4YZ -0.00021 -0.00383 -0.00225 -0.00050 0.00546 76 6 C 1S 0.00105 0.00453 0.00090 -0.00053 0.00350 77 2S -0.00265 -0.01030 -0.00060 0.00141 -0.01070 78 2PX 0.00179 0.01934 -0.09631 0.00763 0.15129 79 2PY -0.07302 -0.07279 0.01819 0.01938 -0.09873 80 2PZ 0.00917 0.01003 0.05984 0.07720 -0.01615 81 3S -0.00536 -0.00626 0.00477 0.00160 -0.00567 82 3PX 0.00368 0.00971 -0.05316 0.00910 0.09116 83 3PY -0.03414 -0.02665 0.02266 0.01408 -0.05923 84 3PZ 0.00271 0.00365 0.03252 0.04604 -0.00947 85 4XX 0.00495 0.00975 -0.00147 -0.00279 0.00471 86 4YY -0.00404 -0.00958 -0.00305 0.00063 0.00261 87 4ZZ 0.00026 0.00137 0.00199 0.00147 -0.00173 88 4XY -0.00181 -0.00041 0.00880 0.00247 -0.01739 89 4XZ -0.00179 -0.00486 -0.00230 -0.00305 -0.00008 90 4YZ 0.00140 0.00257 -0.00204 0.00246 0.00758 91 7 C 1S -0.00052 -0.01488 -0.00592 -0.00046 0.00580 92 2S 0.00197 0.03356 0.01332 0.00042 -0.01092 93 2PX 0.01078 -0.05500 0.10434 0.05356 -0.12061 94 2PY 0.05130 0.20589 0.00155 0.01122 0.06794 95 2PZ -0.02240 -0.01511 -0.01349 0.06879 0.06502 96 3S -0.00043 0.01525 0.00043 0.00238 -0.01233 97 3PX 0.00204 -0.01609 0.04110 0.02968 -0.04182 98 3PY 0.02456 0.08583 -0.01055 0.00965 0.04487 99 3PZ -0.01021 -0.01005 -0.00068 0.04439 0.02730 100 4XX 0.00153 0.00273 0.00032 -0.00024 0.00196 101 4YY -0.00295 -0.00632 -0.00128 0.00123 -0.00147 102 4ZZ -0.00015 -0.00152 0.00053 -0.00122 -0.00147 103 4XY -0.00328 -0.01119 0.00599 0.00330 -0.00996 104 4XZ 0.00026 0.00098 -0.00182 -0.00132 0.00134 105 4YZ 0.00155 0.00631 -0.00048 0.00414 0.00632 106 8 C 1S -0.01029 -0.01307 0.00588 -0.00008 -0.00945 107 2S 0.02161 0.02921 -0.01632 0.00182 0.02329 108 2PX 0.04973 0.25063 -0.03730 0.02146 0.12407 109 2PY 0.04695 0.03460 0.04986 0.02805 -0.06484 110 2PZ -0.04490 -0.10871 0.05134 0.10731 -0.00848 111 3S 0.02942 0.02017 -0.00131 -0.00093 0.00142 112 3PX 0.01966 0.11818 -0.00072 0.01651 0.05601 113 3PY 0.02593 0.02231 0.02815 0.01218 -0.03925 114 3PZ -0.02083 -0.04888 0.03361 0.06278 0.00013 115 4XX -0.00282 -0.00682 0.00177 0.00399 -0.00129 116 4YY 0.00158 0.00243 -0.00075 0.00121 0.00134 117 4ZZ -0.00020 -0.00270 0.00006 -0.00448 -0.00307 118 4XY -0.00212 -0.01145 0.00357 0.00380 -0.00691 119 4XZ 0.00115 0.00556 -0.00115 0.00216 0.00388 120 4YZ -0.00049 0.00468 0.00090 0.00333 0.00373 121 9 H 1S -0.03871 -0.14981 0.02339 0.01362 -0.05379 122 2S -0.03043 -0.10341 0.03506 0.00689 -0.05580 123 10 H 1S -0.03513 -0.10846 -0.00365 0.00031 -0.03391 124 2S -0.02632 -0.08464 -0.00799 0.00119 -0.02409 125 11 H 1S 0.02883 0.03319 -0.06514 -0.01394 0.12572 126 2S 0.02093 0.02644 -0.04836 -0.01157 0.10330 127 12 H 1S 0.04449 0.14211 0.04606 0.00628 -0.06576 128 2S 0.03639 0.10885 0.03059 0.00441 -0.05253 129 13 H 1S 0.02614 0.11381 -0.00233 -0.00115 -0.05164 130 2S 0.00893 0.07607 0.00627 0.00302 -0.03631 131 14 O 1S 0.01775 0.00263 0.00527 -0.00071 -0.00276 132 2S -0.04053 -0.00557 -0.01178 0.00216 0.00857 133 2PX -0.01784 -0.03090 0.11162 0.06677 0.09099 134 2PY -0.15778 0.00745 -0.01973 0.15289 0.03169 135 2PZ 0.00590 0.02749 0.05692 0.27113 -0.01268 136 3S -0.07412 -0.01169 -0.02193 -0.00055 0.00407 137 3PX -0.01186 -0.01826 0.06935 0.05064 0.06515 138 3PY -0.09947 0.00526 -0.01131 0.10980 0.02391 139 3PZ -0.00172 0.01685 0.04200 0.19240 -0.01026 140 4XX -0.00208 0.00042 -0.00052 -0.00014 0.00113 141 4YY 0.01075 -0.00140 -0.00060 -0.01831 -0.00194 142 4ZZ -0.00400 0.00160 0.00366 0.01829 0.00180 143 4XY 0.00192 0.00232 -0.00684 -0.00753 -0.00536 144 4XZ -0.00023 -0.00142 0.00363 0.00444 0.00367 145 4YZ -0.00247 -0.00121 -0.00415 -0.01206 0.00080 146 15 C 1S 0.00621 0.00115 -0.00855 -0.00043 -0.01471 147 2S -0.01293 -0.00273 0.01567 0.00321 0.03018 148 2PX 0.04123 0.02770 -0.00017 -0.02741 0.00068 149 2PY -0.01241 0.01795 0.06938 0.03903 -0.01692 150 2PZ 0.06331 -0.00075 0.09531 -0.01127 0.01201 151 3S -0.00871 0.00042 0.01553 -0.01363 0.06694 152 3PX 0.01260 0.01342 0.00382 -0.02602 -0.00006 153 3PY -0.00970 0.01077 0.05594 0.00711 0.00547 154 3PZ 0.02215 0.00098 0.05359 -0.00150 -0.00486 155 4XX 0.00054 0.00182 -0.00161 0.00109 -0.00381 156 4YY 0.00604 -0.00343 0.00299 -0.00200 0.00216 157 4ZZ -0.00536 0.00183 -0.00263 0.00083 0.00085 158 4XY 0.00632 -0.00050 0.00073 -0.00147 -0.00270 159 4XZ -0.00405 0.00221 -0.00010 0.00176 -0.00340 160 4YZ 0.00182 -0.00045 0.00142 -0.00175 -0.00761 161 16 C 1S -0.01365 0.00294 0.00338 0.00705 0.00445 162 2S 0.03068 -0.00654 -0.00875 -0.01260 -0.01218 163 2PX -0.12502 0.04554 0.03106 -0.06750 0.11527 164 2PY 0.01564 -0.02442 0.02503 -0.01011 0.05806 165 2PZ -0.16158 0.07755 0.10143 -0.03048 0.10756 166 3S 0.01178 -0.00479 0.00428 -0.03814 0.01957 167 3PX -0.04985 0.02072 0.01555 -0.02694 0.04081 168 3PY 0.01185 -0.00829 0.02941 0.01195 0.00930 169 3PZ -0.06826 0.03795 0.03967 -0.00687 0.05337 170 4XX 0.00419 -0.00098 -0.00001 0.00221 -0.00311 171 4YY -0.00359 -0.00015 0.00086 -0.00042 0.00193 172 4ZZ -0.00570 0.00366 0.00190 -0.00270 0.00402 173 4XY 0.00599 -0.00207 -0.00517 0.00114 -0.00404 174 4XZ 0.00161 0.00120 0.00353 0.00099 -0.00038 175 4YZ 0.01048 -0.00354 -0.00278 0.00398 -0.00703 176 17 C 1S -0.01636 0.00553 -0.00545 -0.00591 -0.00227 177 2S 0.03627 -0.01224 0.01102 0.01185 0.00413 178 2PX 0.10944 -0.03600 -0.08731 0.02405 -0.11705 179 2PY 0.22035 -0.05490 0.03988 0.03274 -0.06316 180 2PZ -0.03536 0.00064 -0.08216 0.04099 -0.08615 181 3S 0.02901 -0.00534 0.01082 0.02532 -0.00531 182 3PX 0.04674 -0.01242 -0.03447 0.01253 -0.05990 183 3PY 0.10148 -0.02207 0.01564 0.01629 -0.04025 184 3PZ -0.01984 0.00309 -0.01809 0.02191 -0.03713 185 4XX 0.00349 -0.00154 -0.00408 0.00019 -0.00592 186 4YY -0.01063 0.00233 -0.00069 0.00040 0.00607 187 4ZZ 0.00080 0.00094 0.00357 -0.00124 0.00199 188 4XY -0.00106 -0.00107 -0.00628 0.00081 -0.00423 189 4XZ 0.00610 -0.00136 0.00135 0.00092 -0.00461 190 4YZ 0.00837 -0.00340 -0.00390 0.00224 -0.01051 191 18 C 1S -0.00485 -0.00251 -0.00431 0.00060 -0.00702 192 2S 0.01074 0.00545 0.01058 -0.00127 0.01818 193 2PX 0.03584 0.01513 0.07577 -0.01756 0.13718 194 2PY -0.00961 0.02470 0.02627 0.02943 0.10998 195 2PZ 0.05232 -0.00115 0.12530 -0.01015 0.08942 196 3S 0.00136 0.00346 0.01253 -0.00104 0.00496 197 3PX 0.01218 0.00585 0.03996 -0.01119 0.07802 198 3PY -0.00349 0.00813 0.01825 0.01333 0.06255 199 3PZ 0.01781 0.00069 0.06550 -0.00058 0.05160 200 4XX -0.00047 -0.00080 -0.00691 -0.00099 -0.01031 201 4YY -0.00720 0.00254 0.00015 0.00022 0.00389 202 4ZZ 0.00631 -0.00238 0.00308 0.00085 0.00027 203 4XY -0.00667 0.00180 -0.00675 -0.00027 -0.00811 204 4XZ 0.00471 -0.00249 -0.00253 0.00040 -0.00875 205 4YZ -0.00188 -0.00036 -0.00626 0.00071 -0.01307 206 19 C 1S 0.01481 -0.00577 -0.00730 0.00586 -0.00493 207 2S -0.03323 0.01291 0.01458 -0.01175 0.00905 208 2PX -0.11643 0.04731 -0.04686 -0.05505 -0.10349 209 2PY 0.01511 -0.02627 0.01499 -0.01510 -0.11068 210 2PZ -0.15693 0.07465 -0.00277 -0.01513 -0.03754 211 3S -0.01243 0.00723 0.01041 -0.01863 0.01095 212 3PX -0.04424 0.02034 -0.03120 -0.02682 -0.04601 213 3PY 0.00833 -0.01430 0.01149 -0.00708 -0.04446 214 3PZ -0.06161 0.03386 -0.00858 -0.00682 -0.02077 215 4XX -0.00394 0.00092 -0.00446 -0.00166 -0.00544 216 4YY 0.00391 0.00012 0.00106 0.00071 0.00498 217 4ZZ 0.00478 -0.00347 0.00427 0.00153 0.00122 218 4XY -0.00515 0.00271 -0.00224 -0.00041 -0.00345 219 4XZ -0.00182 -0.00107 -0.00135 -0.00128 -0.00454 220 4YZ -0.00987 0.00308 -0.00454 -0.00142 -0.00938 221 20 C 1S 0.01234 -0.00416 0.01210 -0.00704 0.00673 222 2S -0.02946 0.00983 -0.02657 0.01541 -0.01568 223 2PX 0.10834 -0.03462 -0.02673 0.02906 0.10033 224 2PY 0.22903 -0.05794 0.06702 0.05161 0.11081 225 2PZ -0.04742 -0.00770 0.01500 0.04735 0.03893 226 3S -0.00686 0.00306 -0.01340 0.02855 -0.01453 227 3PX 0.05386 -0.01518 -0.02634 -0.00177 0.04042 228 3PY 0.11821 -0.02817 0.02688 0.03312 0.06270 229 3PZ -0.02723 -0.00344 0.01222 0.01634 0.00478 230 4XX -0.00340 0.00185 0.00018 -0.00133 -0.00263 231 4YY 0.01123 -0.00206 -0.00135 0.00194 0.00737 232 4ZZ -0.00167 -0.00128 0.00207 0.00202 -0.00091 233 4XY 0.00223 0.00105 0.00276 0.00021 0.00077 234 4XZ -0.00624 0.00153 -0.00122 -0.00134 -0.00444 235 4YZ -0.00791 0.00350 0.00063 -0.00369 -0.00582 236 21 H 1S 0.14438 -0.03270 0.01485 0.02944 0.07162 237 2S 0.08993 -0.02249 0.00866 0.00721 0.05077 238 22 H 1S 0.09835 -0.05160 0.02764 0.01247 0.02582 239 2S 0.07785 -0.03893 0.01880 0.01166 0.02110 240 23 H 1S -0.02467 -0.01144 -0.08357 0.00157 -0.13368 241 2S -0.02022 -0.00929 -0.06590 0.00135 -0.11186 242 24 H 1S -0.13661 0.03267 -0.01758 -0.00931 0.05107 243 2S -0.10421 0.02625 -0.01752 -0.00971 0.04269 244 25 H 1S -0.10592 0.05378 0.05241 -0.03304 0.06470 245 2S -0.08283 0.04169 0.05727 -0.01424 0.03731 246 26 O 1S -0.00513 -0.00573 -0.03653 0.01940 0.00587 247 2S 0.00931 0.01189 0.08347 -0.04600 -0.01103 248 2PX -0.01965 0.01011 0.33578 -0.22900 0.04551 249 2PY 0.00063 -0.05631 -0.16535 -0.13936 0.21672 250 2PZ -0.06861 -0.00773 0.07188 -0.07901 0.06673 251 3S 0.02962 0.02698 0.16300 -0.07872 -0.03724 252 3PX -0.01428 0.00532 0.24962 -0.17472 0.03758 253 3PY 0.00270 -0.03972 -0.12790 -0.10412 0.16723 254 3PZ -0.04965 -0.00676 0.05451 -0.06247 0.05401 255 4XX -0.00056 -0.00085 -0.01852 0.01530 -0.00299 256 4YY -0.00201 -0.00274 0.00375 -0.00909 0.00643 257 4ZZ -0.00012 0.00107 -0.00104 0.00019 -0.00021 258 4XY -0.00115 0.00372 0.01313 0.00154 -0.00705 259 4XZ 0.00571 0.00017 -0.00064 0.00206 -0.00422 260 4YZ -0.00150 0.00007 0.00452 -0.00129 -0.00010 261 27 H 1S -0.01981 -0.00458 -0.09139 0.04917 0.01237 262 2S -0.01738 -0.00065 -0.04888 0.02881 0.01227 263 28 H 1S -0.02792 -0.03921 0.11362 -0.05211 -0.04466 264 2S -0.02558 -0.03097 0.08806 -0.02926 -0.03157 46 47 48 49 50 O O O O O Eigenvalues -- -0.51186 -0.50212 -0.49451 -0.49087 -0.48241 1 1 C 1S 0.01556 0.01279 0.00810 -0.00646 -0.00315 2 2S -0.03083 -0.02499 -0.01401 0.01334 0.00558 3 2PX 0.06399 0.03428 0.06753 -0.06043 -0.03414 4 2PY -0.01005 -0.01487 -0.01547 -0.02044 0.02929 5 2PZ 0.06626 0.01928 0.03763 -0.02252 -0.01640 6 3S -0.07590 -0.05822 -0.05180 0.02600 0.02666 7 3PX 0.02521 0.00609 0.01767 -0.02426 -0.00911 8 3PY -0.00203 -0.01241 -0.00649 -0.00550 0.00883 9 3PZ 0.03520 -0.00211 0.01251 0.00351 -0.01142 10 4XX -0.00585 0.00326 -0.00091 -0.00039 0.00205 11 4YY -0.00361 -0.00296 -0.00574 -0.00043 0.00870 12 4ZZ 0.00902 -0.00101 0.00674 0.00118 -0.01012 13 4XY 0.00123 0.00142 -0.00246 0.00170 0.00104 14 4XZ 0.00301 -0.00331 0.00132 0.00508 -0.00172 15 4YZ -0.00367 -0.00666 -0.00804 0.00523 0.00330 16 2 C 1S 0.01265 -0.00819 -0.00202 0.00821 0.00047 17 2S -0.02858 0.01831 0.00354 -0.01936 0.00146 18 2PX -0.04870 -0.05577 -0.01959 -0.00365 0.09784 19 2PY 0.07029 -0.01838 0.01472 0.04729 0.05960 20 2PZ 0.00394 -0.00634 0.02622 -0.05215 0.10276 21 3S -0.03360 0.01690 0.01577 -0.02479 -0.01710 22 3PX -0.03968 -0.04538 -0.01805 0.00565 0.07308 23 3PY 0.03808 -0.01358 0.00212 -0.00369 0.05452 24 3PZ 0.00620 0.00853 0.02507 -0.02090 0.06745 25 4XX -0.00284 -0.00345 -0.00312 -0.00541 -0.00252 26 4YY 0.00449 0.00236 0.00404 0.00159 0.01494 27 4ZZ -0.00173 0.00074 -0.00102 0.00146 -0.01219 28 4XY -0.00377 -0.00889 0.00102 0.00570 0.01113 29 4XZ 0.00382 0.00358 -0.00159 0.00337 -0.00763 30 4YZ 0.00029 -0.00034 0.00124 -0.00833 0.01068 31 3 C 1S -0.01176 -0.00278 -0.00073 0.00222 0.00192 32 2S 0.02393 0.00459 0.00238 -0.00531 -0.00239 33 2PX 0.04858 -0.07456 -0.03948 -0.06061 -0.08446 34 2PY -0.02461 -0.06561 -0.06479 -0.17067 -0.07473 35 2PZ -0.02381 0.00082 -0.02457 0.14494 -0.05103 36 3S 0.04838 0.03269 0.00294 -0.01762 -0.03192 37 3PX 0.01842 -0.03022 -0.01722 -0.00373 -0.07727 38 3PY 0.00029 -0.01584 -0.02836 -0.06797 -0.04528 39 3PZ -0.01317 -0.01486 -0.02783 0.07270 -0.03977 40 4XX -0.00250 -0.00325 -0.00377 -0.00785 -0.00836 41 4YY 0.00001 0.00341 0.00350 0.00944 0.00761 42 4ZZ 0.00079 0.00015 0.00059 -0.00225 0.00109 43 4XY 0.01084 0.00127 0.00163 0.00048 -0.00190 44 4XZ -0.00133 0.00048 -0.00070 0.00758 -0.00303 45 4YZ -0.00375 -0.00089 0.00076 -0.00628 0.00673 46 4 C 1S 0.00392 -0.00260 -0.00023 0.00383 0.00409 47 2S -0.01021 0.00353 -0.00066 -0.01169 -0.01012 48 2PX -0.12211 0.00935 -0.00757 0.12431 0.01762 49 2PY 0.11577 0.10421 0.04586 0.15490 -0.01250 50 2PZ 0.01997 -0.06682 -0.06456 -0.00254 -0.14356 51 3S 0.01109 0.01412 0.00157 -0.00323 0.00924 52 3PX -0.03246 0.02366 -0.00358 0.06674 -0.01906 53 3PY 0.04999 0.06096 0.03025 0.10460 -0.01380 54 3PZ 0.00182 -0.04733 -0.03918 0.00170 -0.06975 55 4XX -0.00265 -0.00745 -0.00426 -0.01246 -0.00382 56 4YY 0.00472 0.01259 0.00751 0.01796 0.00764 57 4ZZ 0.00086 -0.00187 -0.00152 -0.00020 -0.00237 58 4XY 0.00837 0.00228 0.00240 -0.00215 0.00015 59 4XZ -0.00088 0.00320 0.00129 0.00679 -0.00039 60 4YZ -0.00406 -0.00190 0.00044 -0.00893 0.00664 61 5 C 1S -0.00106 -0.00031 -0.00017 -0.00347 -0.00251 62 2S 0.00093 0.00256 0.00091 0.01054 0.00678 63 2PX 0.11595 -0.03993 -0.03206 -0.04659 -0.11058 64 2PY -0.11207 -0.12152 -0.07084 -0.13843 -0.04776 65 2PZ -0.03225 0.00318 -0.03385 0.14307 -0.11413 66 3S -0.00779 -0.01233 0.00012 0.00125 0.00161 67 3PX 0.06557 -0.02952 -0.02612 -0.03404 -0.06946 68 3PY -0.05064 -0.06592 -0.03588 -0.06635 -0.02217 69 3PZ -0.02233 0.00004 -0.02373 0.09204 -0.08563 70 4XX 0.00023 -0.00774 -0.00264 -0.01725 0.00009 71 4YY 0.00072 0.00778 0.00420 0.01169 0.00466 72 4ZZ 0.00140 -0.00242 -0.00275 0.00080 -0.00700 73 4XY 0.01244 -0.00009 0.00055 -0.00642 -0.00134 74 4XZ -0.00253 0.00596 0.00424 0.00556 0.00804 75 4YZ -0.00524 -0.00112 0.00004 -0.00207 0.00370 76 6 C 1S -0.00489 -0.00378 -0.00067 -0.00004 0.00234 77 2S 0.01352 0.00869 0.00188 0.00062 -0.00576 78 2PX -0.13935 0.01391 -0.00265 0.12752 -0.00594 79 2PY 0.10373 0.10913 0.04851 0.17934 -0.00447 80 2PZ 0.02672 -0.06687 -0.07317 0.00616 -0.17869 81 3S 0.00480 0.00486 -0.00086 -0.00111 0.00289 82 3PX -0.08384 -0.00311 -0.00770 0.05918 -0.01328 83 3PY 0.06039 0.04711 0.01989 0.08433 -0.00672 84 3PZ 0.01565 -0.03272 -0.04274 0.02168 -0.11346 85 4XX -0.00534 -0.00541 -0.00179 -0.01226 0.00267 86 4YY -0.00186 0.00479 0.00226 0.01129 0.00174 87 4ZZ 0.00159 -0.00097 -0.00120 0.00025 -0.00338 88 4XY 0.01716 0.00265 0.00116 0.00074 -0.00448 89 4XZ -0.00015 0.00367 0.00340 0.00173 0.00707 90 4YZ -0.00677 -0.00371 -0.00329 0.00052 -0.00486 91 7 C 1S -0.00372 0.00071 0.00076 0.00402 0.00108 92 2S 0.00642 -0.00373 -0.00313 -0.01176 -0.00355 93 2PX 0.12424 -0.04580 -0.03937 -0.04865 -0.11237 94 2PY -0.07181 -0.08514 -0.06112 -0.13672 -0.06236 95 2PZ -0.05144 -0.00070 -0.03461 0.14461 -0.11207 96 3S 0.00527 0.00412 0.00367 0.00010 -0.00054 97 3PX 0.04917 -0.02735 -0.02390 -0.01795 -0.06464 98 3PY -0.04242 -0.05178 -0.03612 -0.08557 -0.04437 99 3PZ -0.01794 -0.00414 -0.02486 0.08928 -0.08259 100 4XX -0.00207 -0.00607 -0.00429 -0.01210 -0.00527 101 4YY 0.00208 0.00866 0.00523 0.02155 0.00373 102 4ZZ 0.00122 0.00011 0.00081 -0.00366 0.00308 103 4XY 0.01034 0.00157 -0.00019 0.00329 -0.00550 104 4XZ -0.00138 0.00226 0.00147 0.00585 0.00131 105 4YZ -0.00550 -0.00492 -0.00460 -0.00136 -0.00746 106 8 C 1S 0.00657 0.00014 0.00011 -0.00340 -0.00142 107 2S -0.01589 0.00095 0.00087 0.00950 0.00226 108 2PX -0.12759 -0.00533 -0.00636 0.10164 0.01161 109 2PY 0.07002 0.06106 0.04571 0.19250 0.02834 110 2PZ 0.02537 -0.04727 -0.06547 0.00561 -0.14959 111 3S 0.00094 0.00387 -0.00182 0.00646 -0.00353 112 3PX -0.06216 0.00330 -0.00352 0.07116 0.01280 113 3PY 0.02665 0.03152 0.02099 0.10132 0.01751 114 3PZ 0.00321 -0.02608 -0.04050 0.00618 -0.09406 115 4XX 0.00246 -0.00707 -0.00625 -0.01234 -0.01143 116 4YY -0.00096 0.00558 0.00367 0.01381 0.00431 117 4ZZ 0.00138 0.00067 0.00138 -0.00578 0.00372 118 4XY 0.00846 -0.00244 -0.00145 -0.00319 -0.00505 119 4XZ -0.00282 0.00195 0.00040 0.01161 -0.00166 120 4YZ -0.00377 -0.00111 -0.00102 -0.00073 0.00127 121 9 H 1S 0.05981 -0.03349 -0.02595 -0.10308 -0.05504 122 2S 0.04861 -0.03606 -0.02329 -0.08218 -0.03273 123 10 H 1S 0.03640 0.06365 0.04037 0.12533 0.03346 124 2S 0.02913 0.05420 0.03589 0.10873 0.02872 125 11 H 1S -0.12228 -0.03119 -0.01474 -0.01708 0.01990 126 2S -0.10192 -0.02719 -0.01305 -0.01461 0.01878 127 12 H 1S 0.05710 -0.05417 -0.02640 -0.10461 -0.04336 128 2S 0.04730 -0.04419 -0.02191 -0.09016 -0.04106 129 13 H 1S 0.05730 0.08257 0.04297 0.11608 0.01957 130 2S 0.03658 0.05394 0.03257 0.09233 0.03022 131 14 O 1S 0.00567 0.00229 -0.00078 0.00373 0.00176 132 2S -0.01047 -0.00789 0.00106 -0.00819 -0.00297 133 2PX -0.12015 -0.14553 -0.00837 0.07912 0.19759 134 2PY -0.00168 0.00031 0.02138 -0.10834 0.10679 135 2PZ 0.09304 0.01624 0.04969 -0.03532 0.19333 136 3S -0.03819 0.00208 0.00650 -0.01818 -0.01240 137 3PX -0.08358 -0.10338 -0.00187 0.05804 0.14575 138 3PY 0.00469 -0.00329 0.01481 -0.07506 0.08164 139 3PZ 0.06129 0.01092 0.03611 -0.02841 0.14382 140 4XX 0.00065 -0.00057 -0.00055 -0.00089 -0.00002 141 4YY -0.00096 0.00006 -0.00282 0.00655 -0.01272 142 4ZZ 0.00411 -0.00172 0.00253 -0.00340 0.01394 143 4XY 0.00551 0.00722 0.00010 -0.00239 -0.01242 144 4XZ -0.00296 -0.00416 -0.00026 0.00189 0.00672 145 4YZ -0.00369 0.00030 -0.00195 -0.00034 -0.00868 146 15 C 1S -0.00825 0.00019 -0.00075 -0.00260 -0.00179 147 2S 0.01733 0.00218 0.00325 0.00433 0.00056 148 2PX 0.02230 -0.12963 -0.07888 0.08599 0.04614 149 2PY -0.09759 -0.02504 0.15438 0.01169 -0.04346 150 2PZ -0.05909 0.12927 -0.16538 0.00851 0.02285 151 3S 0.02944 -0.02463 -0.00418 0.03012 0.02078 152 3PX 0.02666 -0.08814 -0.04321 0.04759 0.02993 153 3PY -0.05906 -0.00981 0.06614 0.01113 -0.01905 154 3PZ -0.03523 0.08797 -0.07001 -0.01212 -0.00472 155 4XX -0.00841 0.00539 0.00056 -0.00034 -0.00397 156 4YY 0.00471 0.00019 -0.00851 0.00035 0.00387 157 4ZZ 0.00259 -0.00616 0.00763 0.00163 -0.00091 158 4XY -0.00381 0.00118 -0.00929 0.00277 0.00150 159 4XZ -0.00399 -0.00497 0.00442 0.00245 -0.00037 160 4YZ -0.00542 -0.00694 -0.00680 0.00512 0.00286 161 16 C 1S 0.00579 0.00008 0.00516 -0.00317 0.00027 162 2S -0.01399 0.00036 -0.01571 0.00771 0.00147 163 2PX 0.15238 -0.08361 0.00896 0.01795 0.02672 164 2PY 0.04182 0.15840 -0.10840 -0.05636 0.00368 165 2PZ 0.00164 0.05386 0.16167 -0.02481 -0.06928 166 3S -0.00081 -0.01130 0.00146 0.01235 -0.01364 167 3PX 0.07110 -0.06382 0.01021 0.01318 0.02446 168 3PY -0.00386 0.08865 -0.05557 -0.03415 0.01005 169 3PZ -0.00787 0.03617 0.10395 -0.01431 -0.04278 170 4XX -0.00472 0.00250 0.00050 -0.00089 -0.00170 171 4YY 0.00141 0.00761 -0.00825 -0.00166 0.00157 172 4ZZ 0.00436 -0.01226 0.01360 0.00287 -0.00121 173 4XY 0.00027 -0.00042 -0.01318 0.00222 0.00448 174 4XZ -0.00450 -0.00224 0.01042 0.00043 -0.00288 175 4YZ -0.00490 -0.00101 -0.00833 0.00212 0.00348 176 17 C 1S -0.00140 0.00182 -0.00391 0.00047 -0.00098 177 2S 0.00112 -0.00643 0.01125 0.00013 0.00082 178 2PX -0.03643 -0.12845 -0.08364 0.06452 0.06234 179 2PY -0.11946 -0.01874 0.13388 -0.00165 -0.05133 180 2PZ -0.08991 0.13285 -0.13791 -0.02299 -0.00094 181 3S 0.00018 0.00541 0.00292 -0.00539 0.01115 182 3PX -0.01323 -0.08405 -0.03636 0.03853 0.04285 183 3PY -0.07343 -0.00616 0.08347 -0.00127 -0.03416 184 3PZ -0.04903 0.08245 -0.06521 -0.01994 -0.00155 185 4XX -0.00295 -0.00558 -0.00057 0.00212 0.00082 186 4YY 0.00516 0.01536 -0.01220 -0.00490 0.00075 187 4ZZ 0.00055 -0.00650 0.00810 0.00208 -0.00062 188 4XY 0.00117 -0.00016 -0.01158 0.00125 0.00434 189 4XZ -0.00756 -0.00215 0.00866 0.00041 -0.00331 190 4YZ -0.01083 -0.00043 0.00060 0.00096 -0.00128 191 18 C 1S -0.00314 -0.00024 0.00003 -0.00109 -0.00135 192 2S 0.00957 0.00127 0.00113 0.00157 0.00269 193 2PX 0.15482 -0.08585 0.01707 0.02436 0.04663 194 2PY 0.07694 0.16398 -0.12052 -0.04999 0.01424 195 2PZ -0.00040 0.03573 0.18578 -0.04171 -0.07470 196 3S -0.00115 0.00133 -0.00543 0.00059 0.00319 197 3PX 0.09334 -0.05655 0.00685 0.01563 0.03167 198 3PY 0.04053 0.08976 -0.04363 -0.03288 -0.00409 199 3PZ -0.00011 0.03542 0.08933 -0.02883 -0.03759 200 4XX -0.00449 -0.01018 -0.00406 0.00499 0.00304 201 4YY 0.00297 0.00794 -0.00676 -0.00231 0.00061 202 4ZZ -0.00318 0.00104 0.00913 -0.00176 -0.00369 203 4XY -0.00559 0.00138 -0.00954 0.00177 0.00148 204 4XZ -0.00824 -0.00471 0.00420 0.00158 -0.00138 205 4YZ -0.01277 0.00178 -0.00372 0.00095 -0.00152 206 19 C 1S -0.00290 -0.00173 0.00472 -0.00176 0.00106 207 2S 0.00517 0.00439 -0.01433 0.00388 0.00006 208 2PX -0.04373 -0.13197 -0.07499 0.08071 0.03757 209 2PY -0.14784 -0.02985 0.13894 -0.00028 -0.06903 210 2PZ -0.07191 0.12477 -0.13545 -0.01026 -0.00614 211 3S 0.00988 0.00703 -0.00137 0.00588 -0.01934 212 3PX -0.00555 -0.07310 -0.05237 0.04699 0.02413 213 3PY -0.06396 0.00438 0.07821 -0.01222 -0.05064 214 3PZ -0.04287 0.08022 -0.08197 -0.00579 -0.00786 215 4XX -0.00206 -0.00571 -0.00179 0.00275 0.00080 216 4YY 0.00592 0.00202 -0.00929 0.00060 0.00443 217 4ZZ -0.00344 0.00155 0.01752 -0.00403 -0.00657 218 4XY -0.00422 0.00754 -0.01185 -0.00006 0.00087 219 4XZ -0.00278 -0.00811 0.00907 0.00166 -0.00199 220 4YZ -0.00814 0.00129 -0.00861 0.00208 0.00086 221 20 C 1S 0.00440 0.00164 -0.00328 0.00074 -0.00239 222 2S -0.01219 -0.00688 0.00970 -0.00021 0.00441 223 2PX 0.15032 -0.08268 0.04343 0.00258 0.03763 224 2PY 0.05955 0.14064 -0.10401 -0.04339 0.03885 225 2PZ -0.00602 0.04943 0.19560 -0.06494 -0.06679 226 3S 0.00306 0.01352 0.00008 -0.01536 0.01810 227 3PX 0.08518 -0.04008 0.00475 0.00616 0.00519 228 3PY 0.03072 0.08446 -0.06885 -0.01836 0.02830 229 3PZ -0.00988 0.04764 0.09826 -0.04403 -0.05617 230 4XX -0.00469 0.00150 0.00079 0.00012 -0.00282 231 4YY 0.01099 0.00239 -0.01562 0.00014 0.00795 232 4ZZ -0.00303 -0.00116 0.01047 -0.00139 -0.00246 233 4XY -0.00176 0.00807 -0.01075 -0.00040 0.00203 234 4XZ -0.00304 -0.00866 0.00752 0.00258 -0.00157 235 4YZ -0.00519 -0.00654 -0.00209 0.00482 0.00058 236 21 H 1S 0.06869 0.06272 -0.10148 -0.01562 0.04585 237 2S 0.05550 0.05960 -0.08159 -0.02271 0.01493 238 22 H 1S 0.01502 -0.04385 0.14323 -0.01574 -0.03083 239 2S 0.01190 -0.03834 0.12298 -0.01197 -0.02563 240 23 H 1S -0.10442 -0.02695 -0.03571 0.02283 -0.00016 241 2S -0.08762 -0.02340 -0.03072 0.01939 -0.00017 242 24 H 1S 0.06803 0.07176 -0.09975 -0.02032 0.02186 243 2S 0.05787 0.06185 -0.08683 -0.01688 0.01859 244 25 H 1S 0.02374 -0.04185 0.13245 0.00488 -0.03485 245 2S 0.00893 -0.03435 0.11562 -0.00593 -0.02248 246 26 O 1S 0.00988 -0.00080 0.00566 -0.00438 -0.00578 247 2S -0.02257 0.00044 -0.01391 0.01116 0.01399 248 2PX -0.04759 -0.02004 -0.09135 0.06952 0.02026 249 2PY 0.17479 -0.01044 0.01619 0.05309 -0.13933 250 2PZ -0.00585 -0.02628 -0.07262 0.03821 0.00141 251 3S -0.04327 0.00884 -0.02000 0.01531 0.02424 252 3PX -0.03715 -0.01718 -0.07387 0.05709 0.01278 253 3PY 0.13497 -0.00554 0.01206 0.04142 -0.11150 254 3PZ -0.00360 -0.02382 -0.05914 0.03324 0.00309 255 4XX 0.00117 0.00085 0.00414 -0.00363 0.00021 256 4YY 0.00400 -0.00153 -0.00113 0.00217 -0.00251 257 4ZZ -0.00111 -0.00034 -0.00037 0.00012 0.00090 258 4XY -0.00821 0.00025 -0.00184 -0.00097 0.00629 259 4XZ -0.00008 0.00124 0.00295 -0.00082 0.00022 260 4YZ -0.00146 -0.00112 -0.00277 0.00133 0.00103 261 27 H 1S 0.01506 -0.00122 0.00632 -0.01021 -0.00885 262 2S 0.00688 0.00272 0.00598 -0.00871 -0.00909 263 28 H 1S -0.02772 -0.02680 -0.03170 0.00189 0.03395 264 2S -0.01400 -0.01230 -0.02827 -0.00993 0.03657 51 52 53 54 55 O O O O O Eigenvalues -- -0.46166 -0.41525 -0.34050 -0.33709 -0.33337 1 1 C 1S -0.01142 -0.02666 -0.00178 0.00090 -0.00003 2 2S 0.03460 0.05065 0.00428 0.00007 -0.00067 3 2PX -0.02049 0.21220 0.02537 -0.02036 0.00664 4 2PY -0.20021 0.09297 -0.01554 0.01734 -0.00924 5 2PZ -0.13279 -0.08359 -0.02108 0.01603 -0.00359 6 3S -0.01043 0.17776 0.00951 -0.01950 0.00434 7 3PX 0.03127 0.12534 -0.00533 0.00025 0.01421 8 3PY -0.12283 0.02594 -0.01603 0.01577 -0.00916 9 3PZ -0.03520 -0.03691 -0.00169 0.02282 -0.00230 10 4XX 0.00993 -0.00006 0.00641 -0.00455 0.00083 11 4YY -0.02320 0.00128 -0.00675 0.00461 -0.00139 12 4ZZ 0.01233 0.00043 -0.00028 0.00026 0.00034 13 4XY 0.01852 -0.00015 0.00351 -0.00198 0.00085 14 4XZ 0.01279 -0.01717 -0.00215 0.00121 -0.00002 15 4YZ 0.00849 -0.00290 -0.00365 0.00279 -0.00051 16 2 C 1S 0.00699 -0.00094 -0.00598 0.00553 -0.00106 17 2S -0.01836 0.00104 0.01112 -0.01592 0.00597 18 2PX -0.01834 -0.15814 -0.03487 0.02878 -0.00172 19 2PY 0.08201 0.04419 0.00336 0.00251 -0.00430 20 2PZ 0.05835 0.09192 0.02875 -0.01420 0.00573 21 3S 0.01024 0.03167 0.04405 0.00158 -0.01500 22 3PX 0.00555 -0.02781 -0.02739 0.00909 -0.00161 23 3PY 0.04812 0.00085 -0.01546 0.02848 0.01130 24 3PZ 0.03980 0.00582 0.02585 -0.02078 0.00100 25 4XX 0.00064 0.00291 0.00333 -0.00287 -0.00253 26 4YY 0.00517 -0.02084 -0.00961 0.00857 0.00500 27 4ZZ -0.00727 0.01935 0.00600 -0.00603 -0.00152 28 4XY 0.01871 0.03348 0.00008 0.00207 0.00101 29 4XZ -0.00419 -0.02362 0.00298 -0.00375 -0.00507 30 4YZ -0.00220 -0.01040 -0.01061 0.00995 0.00597 31 3 C 1S 0.00633 0.02389 0.00321 -0.00134 -0.00053 32 2S -0.01102 -0.04274 -0.00749 0.00129 0.00175 33 2PX 0.08191 0.15243 0.08950 -0.07515 -0.05234 34 2PY -0.03657 -0.13101 0.02321 -0.02102 -0.02256 35 2PZ -0.02539 -0.03754 0.15404 -0.15146 -0.12073 36 3S -0.02266 -0.16963 0.00497 0.01461 0.01300 37 3PX 0.05759 0.09650 0.09392 -0.07631 -0.05718 38 3PY -0.03589 -0.09961 0.02143 -0.03492 -0.02566 39 3PZ -0.01508 -0.02268 0.11963 -0.12031 -0.09508 40 4XX -0.00161 -0.00297 -0.00125 -0.00043 -0.00765 41 4YY -0.00015 -0.00230 -0.00278 0.00138 -0.00428 42 4ZZ 0.00146 0.00285 0.00394 -0.00140 0.01262 43 4XY 0.00766 0.00944 -0.00131 0.00122 -0.00747 44 4XZ -0.00256 -0.00150 -0.00184 -0.00033 -0.00837 45 4YZ -0.00042 -0.00407 -0.00664 0.00425 -0.00966 46 4 C 1S -0.00101 -0.00139 -0.00145 0.00048 -0.00084 47 2S 0.00356 0.00131 0.00376 -0.00082 0.00297 48 2PX -0.06503 -0.06961 -0.01494 -0.01130 -0.11872 49 2PY -0.01099 -0.02751 -0.00477 -0.00921 -0.06156 50 2PZ 0.01401 0.02954 -0.00130 -0.03593 -0.27074 51 3S -0.01623 -0.01338 -0.02157 0.00878 0.00962 52 3PX -0.04168 -0.09802 -0.01120 -0.01178 -0.09783 53 3PY 0.00502 -0.00456 0.01026 -0.01114 -0.05543 54 3PZ 0.00809 0.02926 -0.01065 -0.02128 -0.22192 55 4XX 0.00005 -0.00024 -0.00878 0.00755 -0.00032 56 4YY -0.00123 -0.00058 0.00059 -0.00050 0.00354 57 4ZZ 0.00093 0.00006 0.00745 -0.00662 -0.00284 58 4XY 0.00353 0.00474 -0.00072 0.00116 0.00362 59 4XZ -0.00192 -0.00020 -0.00940 0.00749 -0.00212 60 4YZ 0.00025 -0.00292 0.00336 -0.00136 0.00860 61 5 C 1S 0.00124 0.00308 0.00074 -0.00083 0.00012 62 2S -0.00474 -0.00959 -0.00277 0.00182 -0.00005 63 2PX 0.03313 0.04602 -0.05899 0.04066 -0.07080 64 2PY -0.01424 -0.01498 -0.03501 0.02457 -0.03609 65 2PZ -0.04212 -0.01045 -0.15753 0.10604 -0.17051 66 3S 0.01591 0.03314 0.01199 0.00207 -0.00413 67 3PX 0.01072 0.01687 -0.05882 0.03571 -0.05937 68 3PY -0.00110 0.01914 -0.02861 0.02036 -0.03065 69 3PZ -0.02701 -0.00308 -0.12781 0.08692 -0.14840 70 4XX 0.00374 0.00359 0.00221 -0.00034 0.00746 71 4YY -0.00195 -0.00295 0.00204 -0.00264 -0.00490 72 4ZZ -0.00031 0.00088 -0.00389 0.00276 -0.00265 73 4XY 0.00432 0.00243 0.00368 -0.00324 -0.00296 74 4XZ -0.00174 -0.00263 0.00065 0.00059 0.00934 75 4YZ -0.00013 -0.00118 0.00617 -0.00705 -0.01279 76 6 C 1S -0.00094 0.00337 -0.00101 -0.00011 0.00025 77 2S 0.00317 -0.00577 0.00259 0.00030 -0.00080 78 2PX -0.05732 -0.00958 -0.07140 0.05864 0.04639 79 2PY -0.00910 -0.00045 -0.03347 0.02874 0.02250 80 2PZ -0.01412 0.01926 -0.14733 0.14085 0.11063 81 3S -0.00507 -0.01159 -0.00645 -0.00203 0.00048 82 3PX -0.03040 0.00195 -0.05410 0.05178 0.03800 83 3PY -0.00180 0.00613 -0.02858 0.02304 0.02073 84 3PZ -0.01509 0.00797 -0.12551 0.11841 0.09363 85 4XX 0.00044 -0.00136 -0.00003 -0.00144 -0.00925 86 4YY -0.00166 -0.00018 -0.00297 0.00178 -0.00408 87 4ZZ -0.00010 0.00087 0.00263 -0.00034 0.01329 88 4XY 0.00449 0.00303 -0.00235 0.00146 -0.00732 89 4XZ 0.00066 -0.00057 0.00082 -0.00191 -0.00933 90 4YZ -0.00251 -0.00111 -0.00753 0.00473 -0.00977 91 7 C 1S 0.00423 0.00636 0.00231 -0.00045 -0.00036 92 2S -0.00850 -0.01423 -0.00466 -0.00023 0.00097 93 2PX 0.04756 0.05069 0.01098 0.01672 0.11925 94 2PY -0.03163 -0.04262 -0.00722 0.01036 0.05796 95 2PZ -0.05266 0.00346 -0.01027 0.04234 0.28302 96 3S -0.01289 -0.00755 -0.00815 0.01366 -0.00311 97 3PX 0.02525 0.03125 0.01126 0.01240 0.10421 98 3PY -0.01431 -0.02123 -0.00014 0.01636 0.04913 99 3PZ -0.03264 0.00436 -0.01248 0.03454 0.24268 100 4XX 0.00007 -0.00171 -0.00739 0.00677 -0.00083 101 4YY -0.00137 0.00329 -0.00005 -0.00039 0.00299 102 4ZZ 0.00169 -0.00031 0.00731 -0.00635 -0.00223 103 4XY 0.00268 0.00239 -0.00055 0.00133 0.00346 104 4XZ -0.00125 0.00061 -0.00915 0.00704 -0.00175 105 4YZ -0.00243 -0.00112 0.00256 -0.00121 0.00835 106 8 C 1S -0.00527 -0.00533 -0.00455 -0.00037 0.00073 107 2S 0.01028 0.01159 0.01111 -0.00124 -0.00003 108 2PX -0.07990 -0.02718 0.03395 -0.04431 0.06944 109 2PY 0.01850 0.06815 0.02912 -0.02647 0.03125 110 2PZ 0.00425 0.00662 0.15488 -0.09642 0.16524 111 3S 0.02416 0.01331 0.02823 -0.00827 -0.01276 112 3PX -0.05400 -0.01993 0.02622 -0.04970 0.06267 113 3PY -0.01330 0.03203 0.00533 -0.02073 0.01921 114 3PZ 0.00078 0.00739 0.13840 -0.07203 0.13558 115 4XX 0.00255 0.00076 0.00238 -0.00010 0.00795 116 4YY -0.00149 0.00021 0.00275 -0.00375 -0.00475 117 4ZZ 0.00118 0.00067 -0.00307 0.00279 -0.00304 118 4XY 0.00673 0.00764 0.00551 -0.00365 -0.00352 119 4XZ -0.00359 -0.00138 -0.00132 0.00094 0.00965 120 4YZ -0.00199 -0.00393 0.00642 -0.00783 -0.01362 121 9 H 1S 0.04490 0.01986 0.01832 -0.00010 0.00105 122 2S 0.01374 0.02131 -0.02031 -0.01508 0.00289 123 10 H 1S 0.00423 0.02222 -0.00085 -0.00126 -0.00024 124 2S 0.00625 0.02491 0.00203 0.00030 -0.00014 125 11 H 1S -0.02645 -0.01478 -0.00407 0.00039 -0.00011 126 2S -0.02509 -0.01543 -0.00582 -0.00017 0.00058 127 12 H 1S 0.03137 0.02883 0.00466 -0.00145 0.00092 128 2S 0.02973 0.02777 0.00770 -0.00231 0.00064 129 13 H 1S -0.00889 -0.01054 -0.00191 -0.00148 0.00028 130 2S -0.00239 0.02976 -0.00366 0.00009 0.00071 131 14 O 1S -0.00149 0.00120 -0.00101 0.00228 0.00102 132 2S 0.00960 -0.00221 0.00009 -0.00052 -0.00345 133 2PX 0.14003 0.41261 -0.00635 0.03042 0.01577 134 2PY 0.01727 -0.11857 -0.05684 0.06269 0.04400 135 2PZ 0.10822 -0.23347 -0.09411 0.09648 0.06385 136 3S -0.02012 -0.00899 0.01465 -0.03581 -0.00347 137 3PX 0.11032 0.32808 -0.00421 0.02632 0.01588 138 3PY 0.02139 -0.09244 -0.05224 0.06186 0.03524 139 3PZ 0.07485 -0.18259 -0.08139 0.07797 0.05310 140 4XX 0.00103 0.00025 -0.00050 0.00155 -0.00074 141 4YY -0.00342 0.00625 0.00337 -0.00383 -0.00365 142 4ZZ 0.00869 -0.00616 -0.00518 0.00644 0.00309 143 4XY -0.00662 -0.01263 0.00179 -0.00280 -0.00163 144 4XZ 0.00423 0.00704 -0.00044 0.00135 -0.00007 145 4YZ -0.00603 0.00477 0.00255 -0.00222 -0.00167 146 15 C 1S -0.01746 0.01285 -0.00002 -0.00008 -0.00080 147 2S 0.02812 -0.02711 0.00514 -0.00533 0.00156 148 2PX 0.15375 -0.05043 -0.09304 0.06215 -0.00833 149 2PY 0.11273 -0.09941 0.06018 -0.03953 0.00781 150 2PZ 0.10463 -0.07244 0.07606 -0.05070 0.00988 151 3S 0.14918 -0.02854 -0.02541 0.02807 0.01246 152 3PX 0.08794 -0.05471 -0.09227 0.07307 -0.00918 153 3PY 0.09618 -0.04037 0.05435 -0.02565 0.00689 154 3PZ 0.03745 -0.08975 0.05652 -0.04314 0.00898 155 4XX 0.01106 -0.00037 0.00326 -0.00419 0.00067 156 4YY -0.00570 0.00194 -0.00966 -0.00894 0.00131 157 4ZZ -0.00269 -0.00351 0.00747 0.01203 -0.00174 158 4XY 0.00699 -0.00148 0.00807 0.00945 -0.00122 159 4XZ 0.00629 -0.00531 -0.00608 -0.00744 0.00116 160 4YZ 0.00580 -0.00710 -0.00421 -0.00068 -0.00008 161 16 C 1S 0.00093 -0.00459 -0.00001 0.00001 0.00006 162 2S -0.00274 0.01044 -0.00045 -0.00139 0.00167 163 2PX -0.07524 0.02885 -0.16384 -0.11691 0.01638 164 2PY -0.07218 0.06139 0.10404 0.07374 -0.01083 165 2PZ 0.02678 -0.01079 0.13227 0.09453 -0.01241 166 3S 0.04151 0.00574 0.00389 0.00375 -0.00588 167 3PX -0.06578 0.03420 -0.13522 -0.10111 0.01024 168 3PY -0.06260 0.04901 0.09778 0.06585 -0.01095 169 3PZ 0.01055 0.00465 0.11507 0.07798 -0.00967 170 4XX 0.00592 0.00135 0.00147 0.01179 -0.00168 171 4YY -0.00375 -0.00015 0.00352 -0.00697 0.00127 172 4ZZ -0.00298 -0.00080 -0.00508 -0.00558 0.00105 173 4XY 0.00210 0.00000 -0.00353 0.00147 -0.00027 174 4XZ 0.00283 -0.00283 0.00275 -0.00193 0.00041 175 4YZ 0.00456 -0.00492 0.00023 -0.00729 0.00123 176 17 C 1S -0.00335 0.00360 -0.00003 -0.00010 -0.00009 177 2S 0.01070 -0.00917 0.00006 -0.00028 0.00041 178 2PX 0.01392 -0.06373 -0.06282 -0.17794 0.02798 179 2PY 0.08257 -0.00862 0.04021 0.11294 -0.01722 180 2PZ 0.06153 0.01877 0.05098 0.14435 -0.02230 181 3S -0.03000 0.00984 0.00563 -0.00252 -0.00115 182 3PX -0.01584 -0.03218 -0.05089 -0.15071 0.02398 183 3PY 0.04612 0.00227 0.03329 0.09541 -0.01486 184 3PZ 0.02010 0.02645 0.04537 0.12340 -0.01951 185 4XX 0.00188 0.00023 -0.01260 -0.00530 0.00067 186 4YY -0.00354 0.00502 0.00231 0.00527 -0.00083 187 4ZZ -0.00039 -0.00405 0.01039 -0.00008 0.00022 188 4XY -0.00344 -0.00052 0.00253 -0.00288 0.00049 189 4XZ 0.00478 -0.00093 -0.00138 0.00252 -0.00043 190 4YZ 0.00441 -0.00196 0.00642 0.00395 -0.00056 191 18 C 1S -0.00327 0.00004 0.00018 -0.00029 -0.00024 192 2S 0.00483 0.00105 -0.00001 0.00023 0.00043 193 2PX -0.07575 -0.03900 0.09768 -0.06192 0.01232 194 2PY 0.00529 0.05380 -0.06293 0.04094 -0.00671 195 2PZ 0.02968 0.03798 -0.07910 0.04998 -0.00959 196 3S 0.00647 -0.01633 -0.00075 0.00219 0.00016 197 3PX -0.05075 -0.03236 0.08144 -0.05063 0.01076 198 3PY 0.00965 0.02590 -0.05454 0.03450 -0.00595 199 3PZ 0.01968 0.03698 -0.06850 0.04596 -0.00699 200 4XX 0.00010 -0.00436 0.00309 -0.00345 0.00053 201 4YY -0.00026 0.00210 -0.00912 -0.00867 0.00127 202 4ZZ 0.00156 0.00135 0.00609 0.01204 -0.00185 203 4XY 0.00267 -0.00123 0.00716 0.00914 -0.00139 204 4XZ 0.00324 -0.00147 -0.00568 -0.00707 0.00103 205 4YZ 0.00639 -0.00057 -0.00390 -0.00098 0.00003 206 19 C 1S -0.00473 0.00466 -0.00027 0.00036 0.00027 207 2S 0.01071 -0.00924 0.00022 0.00054 -0.00026 208 2PX 0.02179 -0.07072 0.16549 0.11604 -0.01705 209 2PY 0.06801 -0.00711 -0.10341 -0.07558 0.00915 210 2PZ 0.08482 0.01160 -0.13286 -0.09485 0.01268 211 3S -0.00047 -0.01784 0.01063 -0.01658 -0.00504 212 3PX 0.00168 -0.05314 0.14173 0.09326 -0.01561 213 3PY 0.02628 -0.02157 -0.08471 -0.06953 0.00548 214 3PZ 0.05686 0.02009 -0.10727 -0.08549 0.00989 215 4XX 0.00095 -0.00022 0.00267 0.01252 -0.00201 216 4YY -0.00195 -0.00119 0.00313 -0.00677 0.00123 217 4ZZ -0.00080 0.00213 -0.00561 -0.00572 0.00071 218 4XY 0.00514 0.00091 -0.00368 0.00164 -0.00039 219 4XZ -0.00179 -0.00239 0.00316 -0.00212 0.00020 220 4YZ 0.00409 -0.00281 -0.00025 -0.00778 0.00116 221 20 C 1S 0.00193 -0.00412 0.00027 -0.00058 -0.00059 222 2S -0.00024 0.00979 0.00103 0.00048 0.00126 223 2PX -0.08955 0.03203 0.07177 0.18189 -0.02561 224 2PY 0.00601 0.03728 -0.04927 -0.10923 0.02050 225 2PZ -0.04948 0.01906 -0.05775 -0.14733 0.02187 226 3S -0.03669 -0.00449 -0.01356 0.01261 0.00517 227 3PX -0.06869 -0.00477 0.06987 0.13806 -0.02726 228 3PY 0.01514 0.05166 -0.03677 -0.09738 0.01833 229 3PZ -0.04608 -0.03778 -0.04705 -0.13307 0.01373 230 4XX 0.00642 0.00070 -0.01224 -0.00533 0.00069 231 4YY -0.00526 0.00471 0.00263 0.00605 -0.00055 232 4ZZ -0.00227 -0.00364 0.00982 -0.00034 0.00015 233 4XY 0.00333 -0.00048 0.00191 -0.00289 0.00061 234 4XZ 0.00235 -0.00307 -0.00107 0.00261 -0.00042 235 4YZ 0.00558 -0.00586 0.00632 0.00400 -0.00056 236 21 H 1S -0.01820 0.03262 -0.00173 0.00372 0.00208 237 2S -0.03960 -0.00722 0.00128 -0.00524 -0.00421 238 22 H 1S -0.03330 0.00744 0.00044 -0.00035 -0.00023 239 2S -0.02816 0.01405 0.00121 -0.00091 0.00003 240 23 H 1S 0.03467 -0.01569 0.00028 -0.00034 -0.00034 241 2S 0.03262 -0.01640 -0.00034 0.00049 -0.00015 242 24 H 1S -0.04218 0.02415 -0.00024 -0.00001 -0.00012 243 2S -0.03890 0.02572 -0.00086 0.00001 -0.00010 244 25 H 1S -0.00103 -0.00387 -0.00117 -0.00096 0.00075 245 2S -0.03687 0.00668 0.00300 0.00347 0.00047 246 26 O 1S 0.00649 0.01326 0.00597 -0.00461 0.00143 247 2S -0.00795 -0.02184 -0.01325 0.01273 -0.00215 248 2PX 0.11307 -0.09804 -0.01157 0.02299 -0.00320 249 2PY 0.34960 -0.10433 0.01292 -0.01780 0.01479 250 2PZ 0.16017 0.01254 0.00869 -0.01078 0.00344 251 3S -0.05751 -0.09993 -0.03586 0.01636 -0.01163 252 3PX 0.09357 -0.08037 -0.00068 0.01580 -0.00279 253 3PY 0.28832 -0.09577 0.01073 -0.01810 0.01099 254 3PZ 0.14038 0.01822 0.00075 -0.00702 0.00579 255 4XX -0.00517 0.00776 0.00161 -0.00075 0.00061 256 4YY 0.00898 -0.00049 -0.00079 0.00130 0.00054 257 4ZZ 0.00369 0.00470 -0.00008 0.00059 0.00022 258 4XY -0.01091 0.00444 -0.00008 0.00088 -0.00089 259 4XZ -0.00777 -0.00632 -0.00170 0.00186 -0.00028 260 4YZ 0.00362 -0.00071 -0.00041 -0.00010 0.00027 261 27 H 1S 0.02566 0.04412 0.01218 -0.01456 0.00279 262 2S 0.02349 0.04058 0.02873 -0.01180 0.00227 263 28 H 1S -0.14880 0.01524 -0.02985 0.02529 -0.00962 264 2S -0.13171 -0.02443 -0.05238 0.02966 -0.00304 56 57 58 59 60 O V V V V Eigenvalues -- -0.32748 0.08598 0.13111 0.13795 0.14593 1 1 C 1S 0.00208 -0.00212 -0.00355 0.00459 0.00131 2 2S -0.00993 0.00266 0.01175 0.00083 0.00855 3 2PX -0.06983 -0.01458 -0.01044 -0.00802 -0.00221 4 2PY 0.02723 -0.01446 0.01287 -0.00081 0.01634 5 2PZ 0.04559 0.01491 0.01249 0.00702 0.00212 6 3S 0.00219 0.01275 0.01955 -0.12570 -0.04272 7 3PX -0.03072 -0.01238 -0.08301 0.05688 -0.08523 8 3PY 0.01873 0.04776 0.03471 -0.02001 0.06403 9 3PZ 0.03431 0.04127 0.12632 0.06166 0.00514 10 4XX -0.01195 0.01699 0.01011 -0.01476 0.00533 11 4YY 0.01008 -0.00371 -0.00917 0.01083 -0.00316 12 4ZZ 0.00182 -0.01466 -0.00186 0.00504 -0.00219 13 4XY -0.00485 0.01111 0.00391 -0.00299 0.00121 14 4XZ 0.00446 0.00284 -0.00309 0.00397 -0.00133 15 4YZ 0.00655 -0.00243 -0.00569 0.00916 -0.00345 16 2 C 1S 0.01201 -0.00472 -0.01139 0.01472 -0.00923 17 2S -0.02714 0.01108 0.00780 -0.05307 -0.00144 18 2PX 0.07216 0.12087 -0.03350 0.05759 -0.02381 19 2PY 0.01116 0.11084 -0.00924 0.03470 -0.00264 20 2PZ -0.04458 0.21701 0.02279 -0.01148 0.01044 21 3S -0.06072 0.00819 0.20049 0.01882 0.19254 22 3PX 0.02570 0.14364 -0.11634 0.01469 -0.01112 23 3PY 0.02082 0.07486 0.03201 0.07414 -0.03897 24 3PZ -0.03861 0.26761 0.01452 -0.05069 0.03700 25 4XX 0.00160 0.00202 -0.00208 0.00224 0.00129 26 4YY 0.00046 -0.01569 -0.00145 -0.00016 -0.00240 27 4ZZ -0.00299 0.01205 0.00177 -0.00517 -0.00273 28 4XY -0.00728 -0.00989 0.00027 0.00149 0.00209 29 4XZ 0.01092 0.01161 -0.00313 0.00784 -0.00003 30 4YZ -0.00349 -0.01656 0.00077 -0.00517 0.00189 31 3 C 1S -0.00693 -0.00085 0.00056 -0.00066 0.00192 32 2S 0.01168 -0.00408 -0.00912 -0.00817 -0.00008 33 2PX 0.02810 0.06934 -0.01199 0.03476 0.00159 34 2PY 0.05193 0.02502 -0.01466 0.03388 -0.01016 35 2PZ 0.15701 0.16350 -0.04198 0.09210 -0.01552 36 3S 0.03960 0.03662 0.09414 0.05644 -0.07030 37 3PX 0.01845 0.15174 -0.03029 0.09483 0.03610 38 3PY 0.06304 0.08625 -0.05897 0.03673 -0.04421 39 3PZ 0.13505 0.23959 -0.04903 0.13988 -0.03897 40 4XX -0.00145 -0.01646 -0.00346 -0.00228 0.01096 41 4YY -0.00041 0.00856 -0.00303 0.00272 0.00693 42 4ZZ 0.00166 0.00662 0.00527 -0.00249 -0.02002 43 4XY -0.00514 0.00070 -0.00282 0.00470 0.01356 44 4XZ 0.00112 -0.01393 -0.00363 -0.00038 0.01228 45 4YZ -0.00492 0.01364 -0.00626 0.00578 0.01910 46 4 C 1S 0.00290 0.00283 -0.00143 0.00002 0.00058 47 2S -0.00647 -0.00551 0.00386 0.00130 -0.00151 48 2PX 0.02143 -0.05416 -0.02552 -0.00189 0.10221 49 2PY 0.00625 -0.02887 -0.01352 -0.00012 0.04960 50 2PZ -0.00859 -0.16379 -0.04414 -0.01190 0.23990 51 3S 0.00350 -0.04190 -0.00999 -0.03723 -0.02920 52 3PX 0.02902 -0.06022 -0.05931 0.00501 0.15943 53 3PY -0.00707 -0.02776 -0.00643 0.02872 0.11092 54 3PZ -0.00995 -0.27294 -0.08110 -0.02368 0.44040 55 4XX -0.00728 -0.00992 0.00473 -0.00627 -0.00825 56 4YY 0.00092 0.00108 -0.00110 -0.00085 0.00295 57 4ZZ 0.00673 0.00813 -0.00392 0.00655 0.00514 58 4XY -0.00278 -0.00213 0.00074 -0.00276 0.00203 59 4XZ -0.00842 -0.00994 0.00595 -0.00786 -0.01018 60 4YZ 0.00367 0.00312 -0.00321 0.00360 0.00974 61 5 C 1S -0.00125 -0.00056 -0.00025 -0.00247 0.00007 62 2S 0.00386 0.00173 -0.00105 0.00235 -0.00094 63 2PX -0.06635 -0.02661 0.03566 -0.03495 -0.09245 64 2PY -0.02423 -0.01133 0.01536 -0.01391 -0.04785 65 2PZ -0.13166 -0.05979 0.08270 -0.07856 -0.21947 66 3S -0.01388 -0.00293 0.01989 0.05239 0.02710 67 3PX -0.04780 -0.04611 0.04928 -0.08065 -0.18066 68 3PY -0.03001 -0.03385 0.03878 -0.03794 -0.07499 69 3PZ -0.11508 -0.09947 0.15089 -0.13514 -0.40313 70 4XX 0.00008 0.00480 0.00208 -0.00028 -0.00818 71 4YY 0.00286 -0.00663 -0.00035 -0.00164 0.00481 72 4ZZ -0.00338 0.00217 -0.00172 0.00185 0.00383 73 4XY 0.00233 -0.00666 0.00027 -0.00291 0.00238 74 4XZ 0.00143 0.00755 0.00171 0.00096 -0.01083 75 4YZ 0.00573 -0.01906 -0.00025 -0.00610 0.01282 76 6 C 1S 0.00026 -0.00002 -0.00186 -0.00104 -0.00057 77 2S -0.00106 -0.00015 0.00371 0.00428 0.00186 78 2PX -0.04816 0.08930 -0.01712 0.03739 -0.00696 79 2PY -0.02492 0.04519 -0.01066 0.01745 -0.00290 80 2PZ -0.13384 0.21084 -0.02838 0.08940 -0.01414 81 3S 0.00469 -0.00603 -0.00426 -0.03349 0.00634 82 3PX -0.04836 0.13410 -0.01522 0.09063 -0.00394 83 3PY -0.02271 0.07395 -0.01036 0.01167 -0.01222 84 3PZ -0.11158 0.33767 -0.05760 0.15555 -0.02655 85 4XX 0.00010 0.00289 0.00200 -0.00105 -0.01179 86 4YY -0.00225 -0.00084 0.00278 -0.00181 -0.00720 87 4ZZ 0.00239 -0.00201 -0.00520 0.00236 0.01917 88 4XY -0.00360 -0.00020 0.00423 -0.00173 -0.01174 89 4XZ 0.00052 0.00347 0.00278 0.00056 -0.01126 90 4YZ -0.00604 -0.00279 0.00571 -0.00487 -0.01834 91 7 C 1S -0.00224 0.00275 0.00258 -0.00195 0.00095 92 2S 0.00494 -0.00223 -0.00463 -0.00293 -0.00244 93 2PX -0.01169 -0.02606 -0.01475 -0.00404 0.10182 94 2PY 0.00798 -0.01924 -0.01978 -0.00613 0.04499 95 2PZ 0.00787 -0.07734 -0.05434 -0.00564 0.23239 96 3S 0.00238 -0.05808 -0.03445 0.10187 0.01324 97 3PX -0.00957 -0.03720 0.00018 -0.00914 0.17519 98 3PY -0.00004 -0.04803 -0.02507 0.03704 0.08997 99 3PZ 0.01174 -0.14193 -0.11678 -0.01904 0.42618 100 4XX -0.00741 0.01277 -0.00343 0.00809 0.00875 101 4YY 0.00110 -0.00048 -0.00049 -0.00129 -0.00337 102 4ZZ 0.00618 -0.01234 0.00375 -0.00685 -0.00487 103 4XY -0.00167 0.00307 0.00041 0.00054 -0.00208 104 4XZ -0.00791 0.01613 -0.00561 0.00728 0.00989 105 4YZ 0.00325 -0.00466 0.00303 -0.00233 -0.01025 106 8 C 1S 0.00312 -0.00332 -0.00765 -0.00757 -0.00202 107 2S -0.00702 0.00718 0.01487 0.00539 0.00286 108 2PX 0.07929 -0.06399 0.00543 -0.05300 -0.10119 109 2PY 0.02667 -0.01377 0.00745 -0.02483 -0.04723 110 2PZ 0.12617 -0.15433 0.09410 -0.07439 -0.22812 111 3S -0.00684 0.05546 0.06691 0.08821 0.00387 112 3PX 0.06868 -0.05619 0.02169 -0.20017 -0.19833 113 3PY 0.03733 -0.04836 -0.07420 -0.02950 -0.07618 114 3PZ 0.09142 -0.22780 0.20035 -0.08630 -0.39234 115 4XX 0.00039 -0.00385 -0.00250 -0.00081 0.00729 116 4YY 0.00300 0.00542 -0.00013 0.00077 -0.00418 117 4ZZ -0.00451 -0.00030 0.00342 -0.00269 -0.00370 118 4XY 0.00084 0.00545 0.00079 0.00176 -0.00169 119 4XZ 0.00223 -0.00597 -0.00402 -0.00010 0.01060 120 4YZ 0.00699 0.01365 -0.00005 0.00606 -0.01329 121 9 H 1S -0.01414 0.00354 0.00737 -0.00440 -0.00178 122 2S 0.00900 0.02403 -0.12721 -0.19531 -0.01151 123 10 H 1S -0.00063 0.00299 -0.00235 -0.00145 -0.00055 124 2S -0.00363 0.01124 -0.00571 -0.01285 -0.00007 125 11 H 1S 0.00379 0.00020 -0.00261 -0.00200 -0.00162 126 2S 0.00577 0.00375 -0.01507 -0.02218 -0.01125 127 12 H 1S -0.00628 -0.00123 0.00111 -0.00141 0.00026 128 2S -0.00842 -0.00226 0.00551 -0.00790 0.00055 129 13 H 1S 0.00124 0.00157 -0.00025 -0.00520 -0.00248 130 2S -0.00558 -0.02610 0.00392 -0.03496 0.01122 131 14 O 1S 0.00031 -0.00305 0.00361 0.00191 0.00128 132 2S 0.00249 0.00020 -0.00346 0.01036 0.00343 133 2PX -0.06811 -0.12018 0.01802 -0.01483 0.01205 134 2PY -0.02283 -0.11038 0.02512 -0.02107 0.00089 135 2PZ -0.00306 -0.17573 0.01522 -0.01104 -0.02056 136 3S -0.01679 0.05912 -0.06727 -0.08441 -0.02544 137 3PX -0.06230 -0.14460 0.03424 -0.01944 0.01090 138 3PY -0.01311 -0.14544 0.03761 0.00769 0.01438 139 3PZ -0.00422 -0.20850 -0.00716 -0.02377 -0.02012 140 4XX 0.00123 -0.00160 0.00108 0.00590 0.00325 141 4YY 0.00269 -0.00136 -0.00100 0.00266 0.00177 142 4ZZ -0.00054 -0.00276 0.00203 0.00394 0.00174 143 4XY 0.00171 0.00151 -0.00018 -0.00109 0.00192 144 4XZ -0.00036 0.00041 0.00094 0.00194 0.00183 145 4YZ 0.00057 -0.00089 0.00142 0.00137 -0.00025 146 15 C 1S -0.00110 -0.01181 0.00049 -0.00274 0.00047 147 2S 0.00467 0.03951 0.00131 -0.00017 -0.01622 148 2PX 0.18596 -0.00929 -0.11234 0.17670 -0.08037 149 2PY -0.11146 0.06006 0.06871 -0.10143 0.04897 150 2PZ -0.14261 0.05704 0.08827 -0.13348 0.05861 151 3S -0.00644 -0.00764 0.01633 0.04426 0.03155 152 3PX 0.16250 -0.02521 -0.18904 0.34774 -0.10078 153 3PY -0.08680 0.08780 0.14023 -0.11661 0.03230 154 3PZ -0.12286 0.14644 0.11997 -0.21320 0.09106 155 4XX -0.00817 -0.00469 -0.00674 0.00481 -0.00339 156 4YY 0.00382 0.00320 -0.01249 -0.01431 -0.00375 157 4ZZ 0.00573 0.00496 0.02078 0.00909 0.00173 158 4XY 0.00024 -0.00295 0.01516 0.01132 0.00269 159 4XZ 0.00090 0.00559 -0.01077 -0.00823 -0.00357 160 4YZ 0.00539 0.00476 -0.00080 -0.00546 0.00020 161 16 C 1S 0.00023 0.00486 0.00044 -0.00047 -0.00221 162 2S 0.00119 -0.01507 0.00144 -0.00605 -0.00423 163 2PX 0.08777 0.04528 -0.07769 -0.18784 -0.00347 164 2PY -0.05815 -0.04949 0.04964 0.11319 0.00021 165 2PZ -0.07174 -0.04075 0.05912 0.15402 0.00638 166 3S 0.00338 0.00038 -0.00535 0.05012 0.01287 167 3PX 0.07525 0.08709 -0.14559 -0.33035 0.01016 168 3PY -0.04454 -0.05319 0.11806 0.23472 -0.02789 169 3PZ -0.06543 -0.09212 0.11606 0.26369 0.02097 170 4XX 0.01001 -0.00209 -0.02317 0.00174 -0.00905 171 4YY -0.01049 0.00265 0.01603 -0.01027 0.00572 172 4ZZ 0.00161 -0.00195 0.00726 0.00587 -0.00095 173 4XY 0.00681 0.00042 -0.00577 0.00831 -0.00498 174 4XZ -0.00521 0.00161 0.00587 -0.00622 0.00269 175 4YZ -0.00741 0.00358 0.01474 -0.00417 0.00547 176 17 C 1S -0.00029 -0.00338 -0.00017 -0.00096 0.00063 177 2S 0.00052 0.00691 0.00166 0.00219 -0.00313 178 2PX -0.09399 0.01191 0.20227 0.03663 0.05345 179 2PY 0.06193 0.00160 -0.12687 -0.02227 -0.03750 180 2PZ 0.07828 0.00270 -0.16262 -0.02673 -0.04649 181 3S 0.00090 0.01613 0.00273 -0.00045 0.00356 182 3PX -0.08150 0.01265 0.36866 0.06216 0.09983 183 3PY 0.05231 -0.01732 -0.23097 -0.04583 -0.05705 184 3PZ 0.06955 0.00881 -0.28596 -0.04107 -0.09602 185 4XX 0.01049 0.00696 -0.00007 -0.02363 0.00306 186 4YY 0.00189 -0.00134 0.00578 0.00172 0.00169 187 4ZZ -0.01260 -0.00633 -0.00505 0.02215 -0.00468 188 4XY -0.00584 -0.00326 -0.00468 0.00669 -0.00254 189 4XZ 0.00416 0.00202 0.00394 -0.00399 0.00223 190 4YZ -0.00409 -0.00317 0.00166 0.01142 -0.00066 191 18 C 1S 0.00024 -0.00049 -0.00017 -0.00022 -0.00028 192 2S -0.00091 -0.00062 0.00022 0.00004 0.00094 193 2PX -0.17731 -0.05937 -0.11493 0.15121 -0.05937 194 2PY 0.11016 0.03703 0.07373 -0.09691 0.03748 195 2PZ 0.14266 0.04908 0.09228 -0.12181 0.04828 196 3S 0.00246 0.03803 -0.00433 0.00998 -0.00736 197 3PX -0.15284 -0.08914 -0.20539 0.28148 -0.11451 198 3PY 0.09544 0.07194 0.12537 -0.17547 0.06997 199 3PZ 0.12257 0.07293 0.17208 -0.21771 0.08412 200 4XX -0.00638 0.00159 0.00574 -0.00460 0.00266 201 4YY 0.00181 -0.00234 0.01259 0.01378 0.00176 202 4ZZ 0.00450 0.00078 -0.01854 -0.00920 -0.00439 203 4XY 0.00067 0.00152 -0.01397 -0.01081 -0.00241 204 4XZ -0.00016 -0.00106 0.01066 0.00872 0.00158 205 4YZ 0.00361 -0.00131 0.00095 0.00589 -0.00077 206 19 C 1S -0.00077 -0.00101 0.00077 -0.00068 -0.00026 207 2S 0.00081 0.00143 -0.00130 0.00100 0.00066 208 2PX -0.06943 0.04015 -0.09533 -0.18635 0.00451 209 2PY 0.04880 -0.02126 0.05848 0.11976 -0.00287 210 2PZ 0.06018 -0.02784 0.07386 0.15210 -0.00368 211 3S 0.00875 0.00778 -0.01247 -0.01435 0.00501 212 3PX -0.05688 0.07499 -0.17526 -0.34256 0.00817 213 3PY 0.04406 -0.00109 0.08627 0.21315 -0.00428 214 3PZ 0.05171 -0.05668 0.13595 0.26501 -0.00758 215 4XX 0.01023 0.00500 0.02137 -0.00362 0.00714 216 4YY -0.01099 -0.00484 -0.01539 0.00880 -0.00605 217 4ZZ 0.00062 -0.00032 -0.00608 -0.00567 -0.00091 218 4XY 0.00626 0.00303 0.00611 -0.00696 0.00307 219 4XZ -0.00504 -0.00201 -0.00588 0.00531 -0.00279 220 4YZ -0.00750 -0.00323 -0.01422 0.00414 -0.00497 221 20 C 1S 0.00121 -0.00037 -0.00163 0.00053 0.00017 222 2S -0.00174 0.00794 0.00422 -0.00163 -0.00393 223 2PX 0.10087 0.03300 0.20366 0.03263 0.05137 224 2PY -0.07158 -0.02650 -0.12259 -0.02287 -0.03125 225 2PZ -0.08558 -0.01993 -0.16204 -0.02566 -0.04508 226 3S -0.01231 -0.00683 0.00794 -0.00235 0.01328 227 3PX 0.09057 0.06736 0.34524 0.03284 0.10249 228 3PY -0.06251 -0.08500 -0.20479 -0.06579 -0.05796 229 3PZ -0.06426 0.01855 -0.32433 -0.04352 -0.07701 230 4XX 0.00967 -0.00605 0.00348 0.02450 -0.00395 231 4YY 0.00240 0.00039 -0.00547 -0.00172 -0.00270 232 4ZZ -0.01216 0.00728 0.00269 -0.02254 0.00582 233 4XY -0.00608 0.00079 0.00468 -0.00730 0.00322 234 4XZ 0.00457 0.00065 -0.00384 0.00501 -0.00233 235 4YZ -0.00300 0.00240 -0.00335 -0.01115 0.00125 236 21 H 1S -0.00374 -0.00266 0.00396 -0.00108 -0.00054 237 2S 0.00577 0.07139 -0.03805 0.02350 -0.00838 238 22 H 1S -0.00036 -0.00116 0.00011 -0.00050 -0.00035 239 2S -0.00083 -0.00942 0.00428 -0.00382 -0.00434 240 23 H 1S 0.00095 0.00069 -0.00034 0.00034 -0.00066 241 2S 0.00114 0.00087 -0.00006 0.00165 -0.00544 242 24 H 1S -0.00111 -0.00459 0.00067 -0.00126 0.00025 243 2S -0.00178 -0.02566 0.00080 -0.01062 0.00428 244 25 H 1S 0.00078 -0.00619 -0.00097 -0.00318 -0.00144 245 2S 0.00153 0.00013 0.02415 -0.00186 -0.03703 246 26 O 1S 0.00034 0.01060 0.00709 0.00385 -0.01080 247 2S -0.00351 -0.02832 -0.00246 0.00177 0.02158 248 2PX -0.00745 0.00098 0.02782 0.01146 0.00958 249 2PY -0.00577 -0.03213 -0.01021 -0.01508 -0.01606 250 2PZ -0.00659 0.02487 -0.01296 -0.01266 -0.00094 251 3S 0.00542 -0.06946 -0.11484 -0.07505 0.10969 252 3PX -0.00238 0.02295 0.06643 0.02549 -0.01967 253 3PY -0.00829 -0.03303 -0.02800 -0.01895 -0.00185 254 3PZ -0.00244 0.00499 -0.03708 -0.02248 -0.00125 255 4XX -0.00031 0.00004 0.00528 0.00287 -0.00103 256 4YY -0.00026 -0.00403 0.00333 0.00355 -0.00090 257 4ZZ -0.00289 -0.00034 0.00255 0.00303 0.00112 258 4XY -0.00142 0.00447 0.00142 0.00132 0.00241 259 4XZ 0.00111 -0.00210 0.00123 0.00107 0.00178 260 4YZ 0.00100 -0.00177 -0.00208 0.00034 -0.00244 261 27 H 1S -0.00397 0.01911 0.00123 -0.00017 -0.01887 262 2S -0.01803 0.06721 0.12154 0.08108 -0.08984 263 28 H 1S 0.05664 -0.03338 -0.02717 0.04689 -0.01336 264 2S 0.06806 -0.14891 -0.21452 0.14794 -0.11513 61 62 63 64 65 V V V V V Eigenvalues -- 0.20711 0.21753 0.23902 0.24345 0.27705 1 1 C 1S 0.01215 0.01872 -0.02665 0.01372 -0.03947 2 2S 0.03656 -0.00394 0.04194 -0.03158 0.04235 3 2PX 0.05883 0.00447 -0.07653 -0.00936 -0.04554 4 2PY -0.11763 -0.07586 0.01950 0.01844 0.11441 5 2PZ 0.07166 -0.01739 -0.02652 0.03013 0.03870 6 3S -0.59370 -0.41900 0.33660 -0.13597 0.69476 7 3PX 0.26350 -0.10310 -0.04673 0.00348 -0.16867 8 3PY -0.22226 -0.32582 0.24255 -0.05885 0.70432 9 3PZ 0.27609 -0.05651 -0.07668 0.13773 -0.00967 10 4XX 0.01587 -0.00723 -0.00113 0.00115 -0.00134 11 4YY 0.00804 -0.00122 -0.00396 -0.00101 -0.00730 12 4ZZ -0.01195 0.01433 -0.00033 0.00065 0.00323 13 4XY 0.00303 -0.01951 0.00205 -0.00019 -0.00119 14 4XZ -0.00196 -0.00943 0.00062 0.00054 0.00088 15 4YZ 0.01102 0.00256 -0.00327 0.00073 -0.00054 16 2 C 1S 0.00185 -0.00356 -0.00329 -0.02033 0.00332 17 2S -0.01584 -0.00164 0.02173 0.04298 0.00638 18 2PX 0.10246 -0.16646 0.05991 0.02942 -0.01215 19 2PY 0.06041 -0.15014 0.02572 -0.04093 -0.00424 20 2PZ 0.10809 -0.22493 0.03970 0.00154 -0.03310 21 3S 0.08107 0.12822 -0.08343 0.12552 -0.20163 22 3PX 0.08474 -0.28794 0.13414 -0.09962 0.08820 23 3PY 0.06613 -0.28931 0.13070 0.08329 -0.18590 24 3PZ 0.20838 -0.22265 -0.02366 0.00140 -0.06866 25 4XX -0.01493 0.00124 0.00636 -0.00347 0.00584 26 4YY 0.00155 0.01405 -0.00414 -0.00115 -0.00975 27 4ZZ 0.01202 -0.01323 -0.00033 0.00140 -0.00147 28 4XY 0.00215 0.01077 -0.00035 0.00159 -0.00520 29 4XZ -0.00052 0.00225 0.00105 0.00478 -0.00139 30 4YZ -0.00617 -0.00673 0.00248 0.00117 0.00859 31 3 C 1S 0.01050 0.00724 -0.00303 0.01174 -0.01681 32 2S -0.03431 -0.00743 0.00406 -0.03989 0.03606 33 2PX -0.02214 0.07861 -0.01123 0.01696 -0.00651 34 2PY -0.04709 0.01989 -0.00596 -0.01399 0.00855 35 2PZ -0.12840 0.15218 -0.02080 0.00054 0.00370 36 3S -0.05156 -0.15413 0.09228 0.16317 0.04551 37 3PX -0.05642 0.12179 -0.13279 -0.08483 -0.06862 38 3PY -0.02407 0.06290 -0.03874 0.08694 -0.08749 39 3PZ -0.22472 0.26228 0.02529 0.02218 0.06644 40 4XX -0.00421 0.01725 -0.00527 0.00589 -0.00566 41 4YY 0.00073 -0.01358 0.00801 0.00067 0.00629 42 4ZZ 0.00023 -0.00315 -0.00181 -0.00491 -0.00103 43 4XY -0.00022 -0.00136 -0.00685 -0.01650 -0.00261 44 4XZ -0.00506 0.00513 0.00082 -0.00126 0.00695 45 4YZ 0.00759 -0.00692 0.00371 0.00537 -0.00146 46 4 C 1S 0.00018 -0.00342 0.01609 0.02939 0.00062 47 2S -0.00134 0.01081 -0.03362 -0.04824 -0.01255 48 2PX 0.01430 -0.02372 0.01139 -0.01140 0.03316 49 2PY 0.00723 -0.02460 -0.01228 -0.06398 0.04963 50 2PZ 0.03765 0.01523 -0.01091 0.01373 -0.00781 51 3S 0.00802 0.00378 -0.06154 -0.30940 0.16792 52 3PX 0.08291 -0.03474 0.01251 0.14273 -0.02193 53 3PY 0.01967 -0.08511 -0.10087 -0.28855 0.11157 54 3PZ 0.05609 0.02387 0.00652 0.00076 0.01547 55 4XX 0.00476 -0.01482 0.00126 -0.00976 0.00395 56 4YY 0.00361 0.00333 0.00407 0.01588 -0.00414 57 4ZZ -0.00845 0.01259 -0.00294 -0.00170 0.00114 58 4XY 0.00454 -0.00081 0.00019 0.00173 0.00179 59 4XZ 0.00896 -0.01189 0.00168 0.00347 -0.00464 60 4YZ -0.00058 -0.00150 -0.00128 -0.00532 0.00042 61 5 C 1S 0.00588 0.01091 0.00848 0.04128 -0.01374 62 2S -0.00860 -0.01771 -0.00409 -0.04448 0.01395 63 2PX 0.02068 -0.05983 -0.02164 -0.10788 0.04332 64 2PY 0.00700 -0.03884 0.00204 -0.03842 0.02428 65 2PZ 0.05688 -0.11731 0.03654 0.05522 -0.05089 66 3S -0.09275 -0.15120 -0.20113 -0.78796 0.30501 67 3PX 0.03484 -0.13933 -0.01362 -0.26739 0.19974 68 3PY -0.02242 -0.08330 -0.00394 -0.21927 0.12032 69 3PZ 0.12115 -0.23247 0.06394 0.16221 -0.17229 70 4XX 0.00033 0.00253 0.00152 0.00835 -0.00452 71 4YY 0.00276 -0.00736 -0.00087 -0.00747 0.00309 72 4ZZ -0.00222 0.00552 0.00049 0.00403 -0.00003 73 4XY 0.00488 -0.00417 0.00520 0.01288 -0.00182 74 4XZ -0.00293 -0.00143 -0.00086 -0.00599 0.00119 75 4YZ 0.00922 -0.01161 0.00021 -0.00370 -0.00138 76 6 C 1S 0.00642 0.00701 0.01075 0.04102 -0.01206 77 2S -0.00989 -0.01119 -0.01449 -0.04487 0.00707 78 2PX -0.04562 0.05675 -0.04501 -0.11519 0.03393 79 2PY -0.00970 0.04334 0.02419 0.09815 -0.01036 80 2PZ -0.10499 0.16360 -0.01709 0.02907 0.01469 81 3S -0.09218 -0.06845 -0.15781 -0.77400 0.33898 82 3PX -0.12125 0.11318 -0.16072 -0.35716 0.01495 83 3PY -0.01599 0.11338 0.09352 0.30933 -0.08351 84 3PZ -0.21727 0.36184 -0.02344 0.08580 0.07960 85 4XX -0.00176 0.00569 0.00132 0.00557 0.00290 86 4YY -0.00053 -0.00273 0.00124 0.00093 -0.00229 87 4ZZ 0.00299 -0.00189 -0.00044 -0.00099 -0.00039 88 4XY -0.00264 -0.00370 -0.00462 -0.01544 0.00142 89 4XZ -0.00446 0.00392 -0.00069 0.00125 -0.00167 90 4YZ 0.00235 -0.00412 0.00296 0.00685 -0.00172 91 7 C 1S 0.00236 -0.00209 0.02004 0.04205 0.01187 92 2S 0.00121 0.00695 -0.01840 -0.04886 0.00227 93 2PX 0.03577 -0.06030 0.01986 0.01116 0.00389 94 2PY 0.03950 0.00075 0.04510 0.11720 0.03248 95 2PZ 0.08871 -0.11314 0.00395 -0.03340 -0.02818 96 3S -0.06757 0.01746 -0.44863 -0.76393 -0.43369 97 3PX 0.07916 -0.14551 0.09150 0.14550 -0.06453 98 3PY 0.07064 -0.01500 0.09822 0.35173 0.04998 99 3PZ 0.16864 -0.21364 -0.01383 -0.13592 -0.03422 100 4XX -0.00748 0.00752 -0.00519 -0.00912 -0.00039 101 4YY 0.00257 0.00263 0.00463 0.01329 0.00085 102 4ZZ 0.00571 -0.00949 0.00244 0.00085 0.00038 103 4XY -0.00203 0.00508 0.00189 0.00774 -0.00034 104 4XZ -0.00296 0.01000 0.00040 0.00286 0.00342 105 4YZ -0.00369 0.00069 -0.00219 -0.00583 0.00112 106 8 C 1S 0.01160 0.01987 0.00849 0.02468 0.01789 107 2S -0.02728 -0.04327 -0.00182 -0.04175 -0.01208 108 2PX 0.03325 0.02041 0.02731 0.04348 0.06810 109 2PY 0.01500 -0.02063 0.02471 0.01818 0.02734 110 2PZ -0.03818 -0.02147 -0.01606 -0.01383 -0.03480 111 3S -0.10361 -0.17416 -0.16306 -0.22982 -0.41463 112 3PX 0.10457 0.03278 0.22106 0.20201 0.37531 113 3PY 0.07570 0.07076 -0.11247 -0.10908 -0.04172 114 3PZ -0.05330 -0.07786 -0.06629 -0.06371 -0.12826 115 4XX 0.00294 -0.00076 0.00421 0.01110 -0.00180 116 4YY -0.00737 0.00565 -0.00390 -0.00889 0.00056 117 4ZZ 0.00409 -0.00518 0.00237 0.00118 0.00215 118 4XY -0.00657 0.00390 0.00412 0.00908 0.00215 119 4XZ 0.00041 -0.00479 -0.00180 -0.00797 0.00030 120 4YZ -0.01041 0.01756 -0.00431 -0.00183 0.00092 121 9 H 1S -0.00025 -0.00366 0.01934 0.04039 0.00364 122 2S 0.21317 0.18485 0.31543 0.43028 0.61333 123 10 H 1S 0.00844 0.00158 0.01133 0.03202 -0.00248 124 2S 0.10889 0.05228 0.36107 0.91844 0.24703 125 11 H 1S 0.00615 0.00771 0.01174 0.03547 -0.00154 126 2S 0.10250 0.12633 0.31247 1.04854 -0.22765 127 12 H 1S 0.00421 0.01034 0.00632 0.03372 -0.01010 128 2S 0.07657 0.15963 0.18574 0.91616 -0.47902 129 13 H 1S 0.00791 0.00957 0.01008 0.03903 -0.00511 130 2S -0.00042 0.13883 0.17901 0.57557 -0.21463 131 14 O 1S -0.00316 -0.00560 0.00890 0.00684 -0.00940 132 2S 0.00858 0.00539 -0.01807 -0.00858 0.01340 133 2PX -0.08151 0.11369 -0.01598 -0.03022 -0.01236 134 2PY -0.06493 0.05432 0.00358 0.01202 0.04104 135 2PZ -0.06433 0.15997 -0.02049 -0.00267 0.01170 136 3S 0.02230 0.08911 -0.09634 -0.10042 0.15548 137 3PX -0.09982 0.16115 -0.03862 -0.01380 -0.00740 138 3PY -0.08144 0.07430 0.02164 0.03641 -0.01285 139 3PZ -0.09751 0.22570 -0.04750 -0.02169 0.06013 140 4XX -0.00187 -0.00077 0.00328 0.00248 -0.00586 141 4YY -0.00020 0.00114 -0.00300 0.00167 0.00440 142 4ZZ 0.00248 -0.00755 0.00146 0.00131 -0.00088 143 4XY -0.00273 0.00210 -0.00052 0.00047 0.00320 144 4XZ 0.00165 -0.00047 0.00213 0.00048 -0.00165 145 4YZ 0.00129 0.00210 -0.00050 0.00200 -0.00589 146 15 C 1S -0.01318 0.02308 0.00669 -0.00575 -0.00324 147 2S 0.00357 -0.07500 -0.00539 0.00909 0.02066 148 2PX 0.05420 -0.09585 -0.00576 -0.00023 -0.03412 149 2PY -0.00362 -0.02073 -0.00320 0.01070 0.01081 150 2PZ -0.01282 -0.00473 -0.00802 0.01347 -0.02094 151 3S 0.14473 -0.12491 0.01681 -0.03130 -0.07562 152 3PX 0.35079 -0.15221 0.11201 0.02257 0.10179 153 3PY 0.23697 0.03996 -0.01167 0.09606 -0.24586 154 3PZ 0.18090 -0.05131 0.11995 -0.01256 0.28380 155 4XX 0.00042 0.00429 0.00642 -0.00270 -0.00150 156 4YY -0.01127 -0.00563 0.00041 -0.00202 0.01051 157 4ZZ 0.00391 -0.00776 -0.00028 0.00210 -0.00585 158 4XY -0.00834 -0.00038 0.01334 -0.00366 0.00862 159 4XZ 0.00793 -0.00328 0.00747 -0.00521 -0.00595 160 4YZ 0.00681 0.00229 0.01056 -0.00384 0.00344 161 16 C 1S 0.03426 0.01318 0.02919 -0.00609 0.02706 162 2S -0.08580 -0.03349 -0.03715 -0.00354 -0.01715 163 2PX -0.03160 -0.00508 -0.04189 -0.01607 -0.04147 164 2PY -0.01960 0.02157 0.05227 0.00504 0.07543 165 2PZ -0.04829 -0.05872 -0.05067 0.02664 -0.14489 166 3S -0.09684 -0.07642 -0.37762 0.16492 -0.75008 167 3PX -0.23431 -0.11624 -0.26184 0.03502 -0.36057 168 3PY 0.14357 0.02885 -0.01450 0.08161 0.10734 169 3PZ -0.36664 -0.20743 -0.28121 -0.00498 -0.60567 170 4XX 0.00396 -0.00323 0.00262 0.00344 0.00588 171 4YY -0.00422 0.00046 -0.00485 0.00224 -0.00400 172 4ZZ -0.00005 0.00257 0.00931 -0.00787 0.00041 173 4XY 0.00597 -0.00658 -0.00890 0.00282 -0.00634 174 4XZ 0.00059 0.00399 0.00633 -0.00272 -0.00046 175 4YZ 0.00424 0.00211 -0.00820 0.00368 -0.00042 176 17 C 1S -0.00618 0.01335 0.04272 -0.01839 0.01500 177 2S 0.03239 -0.00853 -0.04728 0.02241 -0.00019 178 2PX 0.01501 0.02889 0.02610 -0.01982 -0.02541 179 2PY 0.03344 0.01673 0.11850 -0.04192 0.09151 180 2PZ 0.02210 -0.03332 -0.03248 0.01990 -0.00492 181 3S -0.22154 -0.30456 -0.83359 0.27564 -0.61787 182 3PX -0.05217 0.02103 0.03390 -0.04082 0.02650 183 3PY -0.13560 0.00142 0.32249 -0.17966 0.19422 184 3PZ 0.07378 -0.10916 -0.15362 0.11345 0.07439 185 4XX -0.00093 0.00285 -0.00747 -0.00192 0.00034 186 4YY -0.00004 0.00626 0.01208 -0.00504 0.00010 187 4ZZ -0.00008 -0.00739 -0.00123 0.00293 -0.00233 188 4XY -0.00210 -0.00093 0.00325 -0.00100 0.00455 189 4XZ -0.00462 -0.00364 -0.01031 0.00227 -0.00613 190 4YZ -0.00169 -0.00335 -0.00543 0.00485 0.00451 191 18 C 1S 0.00469 0.01179 0.03536 -0.01552 -0.01516 192 2S -0.01705 -0.01648 -0.04200 0.01380 0.00438 193 2PX 0.01517 -0.02489 0.11914 -0.02762 -0.00697 194 2PY 0.00463 0.04260 0.04892 -0.03849 -0.03926 195 2PZ -0.00668 0.04357 0.04632 -0.04458 -0.07627 196 3S 0.10340 -0.18189 -0.59195 0.33668 0.45294 197 3PX 0.13886 -0.02232 0.36320 -0.07552 0.01264 198 3PY 0.08871 0.10891 0.16283 -0.10054 -0.22051 199 3PZ 0.05809 0.13436 0.17939 -0.10591 -0.05147 200 4XX 0.00098 0.00484 0.00722 -0.00440 -0.00458 201 4YY -0.00161 -0.00328 -0.00087 0.00246 -0.00286 202 4ZZ 0.00282 0.00061 -0.00085 0.00024 0.00665 203 4XY 0.00130 0.00273 0.00601 -0.00395 -0.00399 204 4XZ 0.00322 0.00182 0.00725 -0.00107 0.00343 205 4YZ 0.00130 0.00177 0.01233 -0.00430 -0.00266 206 19 C 1S 0.01080 0.01079 0.03468 -0.01653 -0.02873 207 2S -0.00643 -0.01473 -0.03567 0.01975 0.02355 208 2PX -0.00545 0.04387 0.02200 -0.04076 -0.08603 209 2PY -0.00622 -0.03562 -0.02065 0.03353 0.08494 210 2PZ 0.00465 -0.01849 0.11221 -0.02579 -0.09558 211 3S -0.36464 -0.16777 -0.65366 0.26535 0.66135 212 3PX -0.07243 0.07775 0.01549 -0.09874 -0.29785 213 3PY -0.00019 -0.13345 -0.11474 0.12787 0.29395 214 3PZ -0.08312 -0.01829 0.26819 -0.09944 -0.39744 215 4XX -0.00080 0.00087 -0.00270 0.00177 -0.00299 216 4YY -0.00046 -0.00416 -0.00098 0.00137 0.00669 217 4ZZ 0.00125 0.00524 0.00783 -0.00522 -0.00804 218 4XY -0.00275 -0.00062 -0.01074 0.00341 0.00335 219 4XZ 0.00041 -0.00025 0.00281 -0.00072 -0.00188 220 4YZ 0.00060 -0.00330 -0.00879 0.00391 0.00280 221 20 C 1S -0.00406 0.00660 0.03140 -0.01072 -0.01590 222 2S 0.00175 -0.02456 -0.04942 0.01423 0.00136 223 2PX -0.00001 -0.01834 -0.00544 0.02015 0.02744 224 2PY -0.00841 -0.00460 -0.05826 0.01205 0.10476 225 2PZ 0.02094 0.00483 0.00108 -0.02171 -0.06136 226 3S 0.17883 -0.04370 -0.24814 0.11232 0.68396 227 3PX -0.15949 -0.06630 -0.10690 0.07755 0.22243 228 3PY -0.21627 0.03250 -0.26080 0.02555 0.20096 229 3PZ 0.01346 -0.05112 -0.02073 -0.02319 0.00538 230 4XX -0.00193 -0.00633 0.00074 0.00289 0.00290 231 4YY 0.00483 0.00309 0.01130 -0.00644 -0.00533 232 4ZZ -0.00205 0.00070 -0.00545 0.00106 0.00543 233 4XY -0.00267 0.00364 0.00647 -0.00245 -0.00351 234 4XZ -0.00119 -0.00701 -0.00403 0.00189 0.00722 235 4YZ -0.00396 0.00070 -0.00651 0.00078 -0.00644 236 21 H 1S 0.01075 0.00993 0.03661 -0.01587 -0.00385 237 2S 0.18457 0.02786 0.53455 -0.18582 -0.63912 238 22 H 1S 0.00407 0.01089 0.02818 -0.01374 -0.01828 239 2S 0.06939 0.17651 0.75086 -0.37745 -1.00007 240 23 H 1S 0.01044 0.01078 0.03382 -0.01255 -0.00422 241 2S 0.14579 0.21963 0.90446 -0.39463 -0.39221 242 24 H 1S -0.00209 0.01476 0.03088 -0.01431 0.00382 243 2S -0.04003 0.23995 0.91167 -0.40683 0.47238 244 25 H 1S -0.01263 0.00994 0.03676 -0.02336 0.00255 245 2S 0.47370 0.33221 0.66266 -0.11347 1.07913 246 26 O 1S 0.07640 0.02395 -0.01955 -0.00542 0.00826 247 2S -0.07852 -0.00821 0.00260 0.00697 -0.01843 248 2PX 0.15848 0.07971 -0.03866 -0.02343 0.02777 249 2PY -0.03576 0.04583 0.03244 0.00424 0.02449 250 2PZ -0.06031 -0.07927 0.04788 0.01951 -0.02839 251 3S -0.96347 -0.34161 0.32347 0.05208 -0.01787 252 3PX 0.35217 0.17504 -0.11089 -0.04179 0.05115 253 3PY -0.06519 0.07903 0.02743 -0.00139 -0.02194 254 3PZ -0.17325 -0.16325 0.08886 0.06850 -0.09338 255 4XX 0.02083 0.01026 -0.01063 -0.00051 -0.00098 256 4YY 0.03783 0.02086 -0.01340 -0.00042 0.00797 257 4ZZ 0.03825 0.01818 -0.01544 -0.00600 0.00043 258 4XY 0.00729 -0.00374 -0.00096 -0.00087 0.00074 259 4XZ 0.00530 0.00406 0.00081 -0.00192 0.00496 260 4YZ -0.00133 0.00182 -0.00107 0.00190 -0.00493 261 27 H 1S 0.06649 0.01995 -0.03273 -0.01145 -0.00869 262 2S 1.11395 0.55372 -0.40328 -0.19045 0.16762 263 28 H 1S -0.00426 0.02545 -0.01657 0.00729 -0.02286 264 2S 0.40574 0.53205 -0.42574 0.03958 -1.05911 66 67 68 69 70 V V V V V Eigenvalues -- 0.29707 0.30417 0.30708 0.31473 0.32740 1 1 C 1S 0.00754 0.03745 -0.05187 0.03579 -0.00033 2 2S 0.00377 -0.04466 0.02298 -0.04377 -0.00039 3 2PX 0.03211 0.07957 -0.02349 0.02606 0.00367 4 2PY -0.03804 -0.06506 0.12376 -0.00851 -0.05168 5 2PZ -0.03663 -0.08581 0.08161 0.04049 0.03964 6 3S -0.17286 -0.56055 1.11389 -0.65632 0.15053 7 3PX 0.22910 0.24629 -0.33513 0.08379 -0.15648 8 3PY -0.17528 -0.29662 0.47715 -0.19372 -0.26712 9 3PZ -0.04581 -0.34273 0.12590 0.31122 0.18919 10 4XX -0.00130 -0.00283 -0.00084 0.00359 0.00371 11 4YY 0.00332 0.00106 -0.00086 0.00002 0.00435 12 4ZZ 0.00363 0.00404 -0.00850 -0.00007 -0.00340 13 4XY 0.00014 -0.00231 0.00352 0.00140 0.00006 14 4XZ -0.00231 0.01047 -0.00636 -0.00021 -0.00502 15 4YZ -0.00148 -0.00107 0.00270 0.00120 0.00713 16 2 C 1S 0.00051 0.01518 0.00985 -0.02423 -0.01080 17 2S 0.00397 -0.04114 -0.00586 0.02970 0.01665 18 2PX -0.00090 0.03701 -0.05209 -0.00534 -0.00477 19 2PY -0.00884 0.03126 -0.00626 -0.03976 -0.03789 20 2PZ -0.02159 0.01674 -0.02484 0.01163 0.02172 21 3S 0.09944 -0.09712 -0.20285 0.39256 0.32827 22 3PX 0.14071 0.15072 -0.00780 -0.23900 -0.04056 23 3PY 0.19240 0.10678 -0.33844 0.10790 -0.33754 24 3PZ -0.21639 -0.01474 0.04195 0.03461 0.17389 25 4XX 0.00889 0.00339 -0.00080 -0.00606 -0.00635 26 4YY -0.00191 -0.00249 -0.00589 -0.00069 0.00197 27 4ZZ 0.00034 0.00004 -0.00044 0.00438 0.00146 28 4XY 0.00494 0.00108 -0.00760 0.00180 0.00098 29 4XZ -0.00481 -0.00119 -0.00523 0.00432 -0.00015 30 4YZ 0.00037 -0.00354 0.00765 -0.00027 -0.00160 31 3 C 1S 0.00484 0.01455 0.00452 -0.00980 0.00413 32 2S -0.00620 -0.02421 -0.00710 -0.00576 -0.04099 33 2PX 0.02736 -0.01985 -0.05275 0.06164 0.01042 34 2PY 0.02113 0.04395 0.05144 -0.04463 -0.00517 35 2PZ -0.00987 0.00213 0.00342 -0.00983 0.00530 36 3S 0.03010 -0.10680 -0.08947 0.40430 0.59116 37 3PX -0.14167 0.01505 0.12176 0.04847 0.55874 38 3PY -0.39783 -0.11348 0.00775 -0.04174 -0.33824 39 3PZ 0.16893 0.02906 -0.06325 0.00200 -0.16685 40 4XX -0.01067 -0.00694 0.00078 0.00371 0.00915 41 4YY 0.01499 0.00790 -0.00011 -0.00158 0.00099 42 4ZZ -0.00275 0.00153 0.00153 -0.00342 -0.00200 43 4XY -0.00219 0.00730 0.00793 -0.01286 -0.00051 44 4XZ 0.00744 -0.00149 0.00135 -0.00012 -0.00769 45 4YZ -0.00402 -0.00278 -0.00642 0.00447 -0.00155 46 4 C 1S -0.01044 -0.01906 -0.02838 0.02317 -0.01755 47 2S -0.01225 0.01676 0.03875 -0.01969 0.07560 48 2PX 0.01874 -0.01820 -0.00261 0.01286 0.00138 49 2PY 0.11907 0.07999 0.09553 -0.06407 0.01548 50 2PZ -0.02620 -0.03045 0.00822 0.00472 -0.01095 51 3S 0.55916 0.44339 0.45737 -0.60124 -0.51365 52 3PX -0.25787 -0.13595 0.04142 0.05987 0.16626 53 3PY 0.38612 0.37108 0.45658 -0.24057 0.68261 54 3PZ 0.04050 -0.07473 -0.07013 0.01826 -0.24598 55 4XX 0.00785 0.00384 0.00009 -0.00230 -0.00696 56 4YY -0.00815 -0.00333 -0.00168 -0.00059 -0.00385 57 4ZZ -0.00036 -0.00230 -0.00018 0.00262 0.00451 58 4XY -0.00080 -0.00685 -0.00504 0.01018 0.00722 59 4XZ -0.00636 0.00068 -0.00014 -0.00057 0.00509 60 4YZ 0.00193 0.00297 0.00337 -0.00427 -0.00109 61 5 C 1S -0.04501 -0.02237 -0.00757 0.01002 0.03327 62 2S 0.03005 0.01961 0.00437 -0.03282 -0.09453 63 2PX 0.12802 0.03916 -0.00549 0.03181 -0.01238 64 2PY 0.06580 0.02164 -0.00776 0.01935 0.00530 65 2PZ -0.08475 0.00878 -0.02812 -0.01607 0.01373 66 3S 1.19883 0.55276 0.23303 0.05639 0.20253 67 3PX 0.52782 0.20150 0.03672 -0.11422 -0.72930 68 3PY 0.17573 -0.06468 -0.19181 0.15555 -0.18870 69 3PZ -0.29945 0.00360 -0.04730 0.01914 0.37488 70 4XX -0.00597 -0.00067 -0.00210 0.00013 0.00133 71 4YY 0.00544 0.00227 0.00199 0.00214 0.01037 72 4ZZ -0.00280 -0.00214 0.00077 -0.00181 -0.00494 73 4XY 0.00094 0.00294 0.00098 -0.00116 -0.00256 74 4XZ 0.00019 0.00033 -0.00127 -0.00083 -0.00258 75 4YZ -0.00386 -0.00074 -0.00181 -0.00099 -0.00259 76 6 C 1S -0.00057 0.02838 0.03079 -0.04873 -0.04570 77 2S 0.00558 -0.01678 -0.01663 0.05123 0.09842 78 2PX 0.00669 -0.07306 -0.06541 0.09177 0.04689 79 2PY 0.00083 0.04707 0.07516 -0.08461 -0.04212 80 2PZ 0.01600 -0.00933 0.03986 -0.02022 -0.02004 81 3S -0.06910 -0.74458 -0.80294 0.93223 0.17862 82 3PX -0.10143 -0.29753 -0.27270 0.49592 0.75195 83 3PY -0.25622 0.08342 0.20881 -0.52417 -0.72988 84 3PZ 0.14275 0.02501 0.14431 -0.09822 -0.19219 85 4XX 0.00436 0.00001 0.00222 0.00003 -0.00097 86 4YY -0.00561 -0.00149 -0.00306 -0.00208 -0.00864 87 4ZZ 0.00068 0.00283 0.00311 -0.00267 0.00215 88 4XY 0.00129 0.00076 0.00037 -0.00271 -0.00530 89 4XZ -0.00116 0.00012 0.00130 -0.00029 0.00325 90 4YZ 0.00045 0.00211 -0.00029 0.00136 0.00583 91 7 C 1S 0.04660 0.01194 -0.00075 0.02764 0.03445 92 2S -0.03971 -0.00966 0.00553 -0.04818 -0.08306 93 2PX 0.02925 0.02429 -0.00117 -0.00328 -0.00808 94 2PY 0.15272 0.07748 0.04968 0.02496 0.07684 95 2PZ -0.06319 0.00136 -0.03151 -0.00719 -0.00256 96 3S -1.08103 -0.24548 0.01543 -0.34071 0.08767 97 3PX 0.07447 0.18665 0.08057 -0.16771 -0.08334 98 3PY 0.73939 0.33519 0.15918 0.40982 1.02367 99 3PZ -0.21981 -0.07693 -0.12572 -0.01274 -0.14937 100 4XX -0.00202 -0.00164 0.00080 0.00227 0.00782 101 4YY 0.00584 0.00198 0.00129 0.00074 0.00135 102 4ZZ 0.00078 0.00161 -0.00063 -0.00092 -0.00184 103 4XY -0.00405 -0.00141 0.00187 -0.00245 -0.00050 104 4XZ 0.00377 0.00001 0.00118 -0.00170 -0.00629 105 4YZ 0.00233 -0.00093 -0.00012 0.00111 -0.00160 106 8 C 1S 0.00503 -0.02314 -0.01563 0.02405 0.00125 107 2S 0.03311 0.04262 0.01206 -0.01594 0.03953 108 2PX 0.10010 -0.03498 -0.03831 0.08470 0.01449 109 2PY 0.04724 0.00988 -0.00068 -0.00818 -0.02216 110 2PZ -0.03618 -0.00015 0.02364 -0.02537 -0.00697 111 3S -0.61211 0.25361 0.29782 -0.67945 -0.68662 112 3PX 0.22603 -0.27459 -0.27953 0.18478 -0.55360 113 3PY -0.26316 -0.10016 0.03375 -0.07553 -0.17255 114 3PZ -0.03178 0.09209 0.15117 -0.07276 0.25327 115 4XX 0.00682 0.00644 0.00006 -0.00193 -0.00250 116 4YY -0.01118 -0.00669 -0.00291 -0.00088 -0.00460 117 4ZZ 0.00427 0.00048 -0.00066 0.00185 0.00274 118 4XY 0.00512 -0.00501 -0.00665 0.01131 0.00294 119 4XZ -0.00264 -0.00036 -0.00021 -0.00019 0.00377 120 4YZ 0.00271 0.00244 0.00515 -0.00358 0.00120 121 9 H 1S 0.01809 -0.00298 -0.01427 0.01597 -0.01526 122 2S 0.46587 -0.44643 -0.41848 0.53828 -0.29526 123 10 H 1S 0.00636 0.00459 0.00153 0.00252 0.01059 124 2S 1.33399 0.53413 0.25490 0.52392 1.03690 125 11 H 1S -0.00170 -0.00179 -0.00269 0.00180 -0.00697 126 2S -0.03994 0.65856 0.78561 -1.19807 -1.14752 127 12 H 1S -0.00429 0.00120 0.00044 0.00496 0.01371 128 2S -1.25041 -0.39486 -0.08913 -0.00674 0.74973 129 13 H 1S -0.01692 -0.01493 -0.01036 0.00975 -0.01105 130 2S -0.67374 -0.63571 -0.74611 0.54865 -0.53399 131 14 O 1S 0.00951 -0.00042 -0.02287 0.00633 -0.01859 132 2S -0.00296 0.00571 0.03367 0.00753 0.03275 133 2PX 0.03484 -0.00167 -0.00642 -0.02217 -0.01758 134 2PY 0.01602 -0.02359 0.03313 0.00904 -0.01096 135 2PZ 0.00694 -0.03699 0.01910 -0.01419 -0.00894 136 3S -0.22190 -0.03933 0.34003 -0.16835 0.25707 137 3PX 0.01204 -0.02466 0.01457 0.01224 -0.00092 138 3PY 0.07846 -0.02245 -0.08000 0.05144 -0.08761 139 3PZ -0.01513 -0.04661 0.10043 -0.04855 0.04143 140 4XX 0.00695 0.00198 -0.01240 0.00464 -0.00929 141 4YY 0.00192 0.00062 0.00559 0.00666 0.00524 142 4ZZ 0.00439 0.00055 -0.00395 0.00619 -0.00086 143 4XY -0.00266 -0.00333 0.00259 0.00143 -0.00100 144 4XZ 0.00129 -0.00175 -0.00283 -0.00039 -0.00128 145 4YZ 0.00312 0.00218 -0.00882 0.00431 -0.00329 146 15 C 1S -0.00453 0.00377 0.02150 0.01258 -0.00255 147 2S 0.00680 -0.00743 -0.03984 -0.02756 -0.06049 148 2PX -0.02882 0.06729 0.01187 0.03308 0.02121 149 2PY -0.01568 0.03212 0.00807 0.04692 0.00138 150 2PZ 0.01274 -0.01283 0.01284 0.06497 0.00763 151 3S -0.11528 -0.07874 0.05062 -0.34325 1.10218 152 3PX 0.10897 0.04357 -0.30387 0.20823 -0.61216 153 3PY 0.28792 -0.12873 -0.28837 0.33614 -0.42173 154 3PZ 0.03563 0.10774 -0.27723 0.16179 -0.45816 155 4XX 0.00545 0.00063 -0.00915 -0.00491 -0.00010 156 4YY -0.01100 0.00876 0.00521 -0.00356 0.00076 157 4ZZ 0.00152 -0.01037 0.00816 0.00362 0.00694 158 4XY -0.00227 0.00396 -0.00631 -0.00983 -0.00134 159 4XZ 0.00187 -0.00949 0.00383 -0.00758 0.00678 160 4YZ 0.00118 -0.00761 -0.00630 -0.00791 -0.00659 161 16 C 1S 0.01041 -0.02803 -0.02451 -0.01493 -0.01073 162 2S -0.04718 0.05770 0.04429 -0.03117 0.07232 163 2PX -0.02563 -0.02852 0.09781 0.03832 -0.00670 164 2PY 0.00786 0.02299 -0.04456 0.00132 -0.04275 165 2PZ 0.03374 0.03658 0.03357 0.05287 0.03130 166 3S 0.22423 0.21837 0.18191 0.82428 -0.78361 167 3PX -0.05733 -0.04084 0.44191 0.12853 0.37050 168 3PY 0.21096 -0.19549 -0.14931 0.13722 -0.53341 169 3PZ -0.19675 0.30833 0.51419 -0.05669 0.86652 170 4XX 0.00116 -0.00349 0.00007 0.00973 -0.00230 171 4YY 0.00638 -0.00601 -0.00576 -0.00366 -0.00486 172 4ZZ -0.00654 0.00696 0.00072 -0.00803 -0.00191 173 4XY 0.00217 -0.00218 0.00233 0.00510 -0.00543 174 4XZ -0.00085 0.00296 0.00056 0.00740 -0.00797 175 4YZ -0.00029 0.00298 0.00478 0.01038 0.00276 176 17 C 1S -0.02635 0.03865 -0.02136 -0.03006 0.04506 177 2S 0.02922 -0.03304 0.00456 0.06242 -0.10852 178 2PX -0.01388 0.09046 -0.04471 -0.02016 0.04502 179 2PY -0.09851 0.08839 -0.00199 0.02035 0.07905 180 2PZ 0.02824 -0.09682 0.03594 0.00929 -0.01270 181 3S 0.43786 -0.84651 0.79565 0.14524 0.10831 182 3PX -0.12524 0.26598 -0.16025 -0.32034 0.53193 183 3PY -0.53688 0.52165 0.11571 -0.33433 1.20465 184 3PZ 0.18743 -0.39686 -0.07270 -0.01354 -0.28825 185 4XX -0.00483 0.00305 0.00291 -0.00425 0.00214 186 4YY -0.00096 0.00434 -0.00078 -0.00012 -0.00040 187 4ZZ 0.00018 -0.00209 0.00124 -0.00080 0.00943 188 4XY -0.00300 -0.00100 0.00329 -0.00153 0.00028 189 4XZ 0.00002 0.00252 0.00090 -0.00637 0.01132 190 4YZ 0.00116 0.00378 -0.00644 0.00085 -0.00468 191 18 C 1S -0.00847 0.02090 0.02791 0.06118 -0.05410 192 2S -0.00812 -0.01097 0.00106 -0.07213 0.13087 193 2PX -0.03594 -0.00268 0.09020 0.12765 -0.03600 194 2PY -0.01664 0.05166 0.04402 0.05859 -0.02345 195 2PZ -0.01915 0.08993 0.01822 0.04863 -0.02087 196 3S 0.41066 -0.54048 -1.01106 -1.07483 0.00317 197 3PX -0.03020 0.03302 0.16733 0.73658 -0.90273 198 3PY 0.12089 -0.01956 0.15242 0.42179 -0.64787 199 3PZ -0.09137 0.40403 -0.08080 0.41906 -0.60174 200 4XX -0.00063 0.00508 -0.00075 -0.00153 0.00354 201 4YY 0.00367 -0.00155 -0.00242 0.00310 -0.00880 202 4ZZ -0.00252 -0.00243 0.00297 0.00455 -0.00362 203 4XY 0.00135 -0.00166 -0.00128 -0.00348 -0.00306 204 4XZ 0.00085 -0.00064 -0.00452 0.00032 -0.00288 205 4YZ -0.00156 -0.00073 0.00239 -0.00203 0.01047 206 19 C 1S 0.01729 -0.04763 0.02648 -0.02136 0.04497 207 2S -0.00271 0.04488 -0.03845 0.04582 -0.11849 208 2PX 0.02109 0.02029 0.00287 -0.03541 0.02249 209 2PY -0.02880 0.02962 -0.04496 0.00773 -0.00960 210 2PZ 0.05156 -0.11115 0.06917 0.01496 0.03321 211 3S -0.61933 1.10268 -0.32711 0.05246 0.17925 212 3PX 0.09248 -0.08821 0.04776 -0.39420 0.48836 213 3PY 0.00813 0.10679 -0.41903 -0.06417 -0.43179 214 3PZ 0.12580 -0.49097 0.46592 -0.25387 0.93476 215 4XX 0.00364 -0.00261 -0.00147 0.00055 0.00056 216 4YY -0.00464 -0.00091 0.00443 -0.00166 0.01032 217 4ZZ 0.00134 0.00132 0.00057 -0.00148 -0.00139 218 4XY -0.00137 0.00278 -0.00028 -0.00383 0.00949 219 4XZ 0.00034 -0.00357 0.00236 -0.00083 0.00266 220 4YZ 0.00218 -0.00602 0.00173 0.00053 -0.00401 221 20 C 1S 0.01618 -0.00180 -0.04373 -0.03443 -0.02784 222 2S -0.02131 -0.02245 0.08827 0.01248 0.09889 223 2PX -0.02213 0.01664 0.02670 0.07211 0.01232 224 2PY -0.08633 0.08174 0.07661 0.06746 0.04008 225 2PZ 0.01041 0.00370 0.00721 -0.02281 -0.01790 226 3S -0.31501 0.27474 0.45163 0.92621 -0.52376 227 3PX -0.18887 0.21102 0.13133 0.15766 0.20963 228 3PY -0.39638 0.21890 0.63866 0.09927 0.93196 229 3PZ 0.00600 0.28655 -0.32696 -0.06532 -0.45555 230 4XX -0.00165 -0.00067 0.00348 0.00542 -0.00315 231 4YY 0.00221 -0.00583 0.00306 -0.00520 -0.00259 232 4ZZ -0.00053 0.00384 -0.00510 -0.00395 -0.00301 233 4XY 0.00187 -0.00020 0.00270 0.00665 -0.00898 234 4XZ -0.00420 0.00866 -0.00255 0.00180 -0.01005 235 4YZ -0.00168 0.00904 0.00208 0.00630 0.00095 236 21 H 1S 0.00906 -0.02806 0.00550 -0.01406 -0.02135 237 2S 0.60586 -0.37147 -0.93354 -0.67339 -0.84423 238 22 H 1S -0.00122 0.00198 0.00359 -0.00472 0.01596 239 2S 0.43382 -0.97267 0.75024 -0.36374 1.07531 240 23 H 1S 0.00348 -0.00048 -0.00998 -0.00054 -0.01357 241 2S -0.22225 0.51382 0.63794 1.47762 -1.26409 242 24 H 1S -0.00581 -0.00037 0.01086 -0.00550 0.00925 243 2S -0.83899 1.12329 -0.25135 -0.42531 1.33080 244 25 H 1S -0.00969 0.00317 -0.01008 -0.02113 -0.02532 245 2S 0.14292 -0.40275 -0.79389 -0.37288 -0.74503 246 26 O 1S -0.00374 -0.01450 0.02239 0.00035 0.00769 247 2S 0.00350 0.01983 -0.02137 -0.00010 -0.00122 248 2PX -0.01807 -0.04435 0.07159 -0.00932 0.00872 249 2PY 0.02678 0.01101 -0.05829 -0.00385 -0.04867 250 2PZ 0.01693 -0.03026 -0.01868 0.01756 0.04965 251 3S 0.04244 0.18391 -0.31467 -0.03871 -0.14091 252 3PX -0.05549 -0.08794 0.16115 -0.01922 0.02691 253 3PY 0.03686 0.08351 -0.13615 -0.00826 -0.06554 254 3PZ 0.06685 -0.05832 -0.08751 0.06716 0.12585 255 4XX -0.00187 -0.00356 0.00743 0.00066 0.00509 256 4YY -0.00015 -0.00705 0.00734 0.00174 0.00149 257 4ZZ -0.00263 -0.00145 0.01205 -0.00475 0.00628 258 4XY -0.00087 -0.00029 0.00102 0.00103 -0.00020 259 4XZ -0.00095 -0.00449 0.00445 -0.00146 -0.00231 260 4YZ 0.00275 0.00156 -0.00307 0.00369 0.00283 261 27 H 1S -0.01092 0.01323 0.02554 -0.01104 0.00455 262 2S -0.13788 -0.02509 0.41926 -0.12690 -0.09997 263 28 H 1S 0.00324 0.00941 -0.00591 0.00472 0.01843 264 2S 0.33312 0.83992 -1.08317 0.32771 0.21227 71 72 73 74 75 V V V V V Eigenvalues -- 0.33277 0.33790 0.35192 0.36762 0.38208 1 1 C 1S -0.03141 0.01096 0.01657 -0.00675 0.05041 2 2S 0.03058 -0.01899 -0.01690 0.03201 -0.07354 3 2PX -0.02351 -0.01709 -0.04987 0.05157 0.07813 4 2PY 0.10061 0.01390 -0.02871 -0.03999 0.09485 5 2PZ -0.07641 0.00799 0.02652 0.09542 -0.19898 6 3S 0.67964 0.03103 -0.30187 -0.09672 -0.57746 7 3PX -0.20314 -0.14435 -0.34234 0.44416 0.48908 8 3PY 0.57912 -0.12835 -0.24235 -0.15167 0.24987 9 3PZ -0.60390 0.06008 0.15819 0.52616 -0.76391 10 4XX -0.00776 0.00520 0.01740 0.00867 -0.00506 11 4YY -0.00495 -0.00484 -0.01403 0.00393 -0.00334 12 4ZZ 0.00151 0.00137 -0.00324 -0.00518 0.00787 13 4XY -0.00095 0.00053 -0.00432 0.01359 0.00419 14 4XZ 0.01037 0.00114 -0.00909 -0.00199 0.02855 15 4YZ -0.00897 -0.00457 -0.00885 0.00647 -0.02201 16 2 C 1S 0.02175 -0.01459 -0.03252 -0.01196 0.02503 17 2S -0.02554 0.01339 0.01396 0.01586 -0.04930 18 2PX 0.04825 -0.02354 -0.06907 0.04244 0.08146 19 2PY 0.05130 -0.00135 -0.03623 0.01993 0.08603 20 2PZ -0.05716 -0.00977 0.05455 0.03577 -0.02413 21 3S -0.23736 0.06526 0.79191 0.29633 -0.49709 22 3PX 0.35833 -0.22975 -0.13072 0.08151 0.24997 23 3PY 0.06864 0.37010 -0.16779 0.36764 0.64835 24 3PZ -0.15189 -0.05335 0.09709 -0.06580 -0.26921 25 4XX 0.01650 0.00090 -0.00386 -0.01603 0.01400 26 4YY -0.00810 -0.00302 0.00460 0.00507 -0.01601 27 4ZZ -0.00158 0.00240 -0.00060 0.01414 0.00137 28 4XY -0.00617 -0.00095 0.00566 0.00485 -0.00681 29 4XZ -0.00424 0.00411 0.00179 -0.01140 -0.00310 30 4YZ 0.00555 -0.00022 -0.00667 0.01134 0.01207 31 3 C 1S -0.01604 -0.00600 0.02010 0.01421 -0.02618 32 2S -0.00351 0.03640 -0.03664 -0.03518 0.03038 33 2PX -0.03224 0.06094 0.01776 -0.07178 -0.06558 34 2PY 0.06294 -0.00561 -0.03638 -0.06104 -0.00176 35 2PZ -0.02904 -0.03245 0.02808 -0.24206 -0.06606 36 3S 0.63095 -0.54314 -0.17747 0.03820 0.46874 37 3PX 0.25972 -0.55840 0.21049 -0.25395 -0.34967 38 3PY -0.22607 0.47586 -0.30543 -0.24079 0.00797 39 3PZ -0.08978 0.14702 0.06270 -0.51304 -0.03515 40 4XX -0.00910 -0.00791 0.00253 0.00300 -0.01544 41 4YY 0.01401 -0.00427 -0.00608 0.00131 0.01486 42 4ZZ -0.00200 0.00048 0.00082 -0.00479 -0.00066 43 4XY 0.00116 -0.01006 0.00318 -0.00209 -0.00302 44 4XZ 0.00369 0.00821 -0.00496 0.00635 0.00913 45 4YZ -0.00425 0.00595 0.00074 -0.00681 -0.00238 46 4 C 1S 0.03320 0.06227 -0.03774 -0.00185 0.00255 47 2S -0.01410 -0.13925 0.06027 0.00306 -0.02395 48 2PX 0.01761 -0.03576 -0.00540 0.08028 0.09999 49 2PY -0.03299 -0.11460 0.04597 0.04177 0.08031 50 2PZ 0.01535 0.04087 -0.03085 0.19097 0.00295 51 3S -1.03448 -0.21978 0.47910 0.05396 0.20649 52 3PX -0.00396 -0.25497 -0.06187 0.21269 0.16257 53 3PY 0.22654 -1.40538 0.48739 0.16012 0.35313 54 3PZ -0.00958 0.43035 -0.16201 0.54614 0.02933 55 4XX 0.00426 0.00836 -0.00455 0.00256 0.00774 56 4YY -0.00666 0.00536 0.00012 0.00619 -0.00380 57 4ZZ 0.00185 -0.00418 0.00160 -0.00853 -0.00469 58 4XY -0.00344 -0.00233 0.00282 0.00530 -0.00090 59 4XZ 0.00097 -0.00700 0.00254 0.00211 -0.00181 60 4YZ 0.00564 -0.00188 -0.00252 0.01361 0.00641 61 5 C 1S 0.00692 -0.06212 0.01533 -0.00101 0.01864 62 2S -0.02877 0.12609 -0.04091 0.00178 -0.00480 63 2PX -0.06891 0.08668 0.01625 -0.08181 -0.07521 64 2PY 0.01948 0.02157 -0.00863 -0.04560 0.00752 65 2PZ 0.01049 -0.04372 0.02075 -0.17889 -0.02427 66 3S 0.35364 0.31876 0.02988 0.05108 -0.56305 67 3PX -0.64322 1.18096 -0.17792 -0.27959 -0.33041 68 3PY 0.06621 0.47131 -0.18185 -0.17878 0.07321 69 3PZ 0.21423 -0.60970 0.19153 -0.49174 -0.03614 70 4XX -0.00168 0.00084 0.00246 -0.00765 -0.00940 71 4YY 0.00808 -0.01589 0.00286 -0.00039 0.00766 72 4ZZ -0.00059 0.00514 -0.00327 0.00901 0.00248 73 4XY 0.00369 0.00854 -0.00458 -0.00382 -0.00371 74 4XZ -0.00222 0.00016 -0.00014 -0.00931 0.00260 75 4YZ -0.00416 0.00137 0.00141 -0.00180 -0.00006 76 6 C 1S -0.04017 0.02659 0.00348 0.00260 -0.00634 77 2S 0.08546 -0.09375 0.01118 0.00516 0.00004 78 2PX 0.01708 -0.01843 -0.00296 0.07980 0.02919 79 2PY -0.03369 -0.02638 0.00359 0.03542 0.04858 80 2PZ 0.01251 0.01558 -0.02626 0.18115 0.03149 81 3S 0.24299 0.38416 -0.30306 -0.19473 0.26501 82 3PX 0.53746 -0.76706 0.15163 0.29196 0.08159 83 3PY -0.58491 0.38348 -0.07557 0.06809 0.36050 84 3PZ -0.06749 0.25295 -0.12619 0.49403 0.04297 85 4XX -0.00639 -0.00186 0.00143 0.00463 0.00548 86 4YY 0.00107 0.01322 -0.00544 -0.00201 -0.00279 87 4ZZ 0.00086 -0.00502 0.00241 -0.00350 -0.00119 88 4XY -0.00830 0.00315 0.00169 -0.00103 -0.00048 89 4XZ 0.00671 -0.00317 -0.00138 0.01000 -0.00014 90 4YZ 0.00340 -0.00643 0.00223 -0.00907 -0.00197 91 7 C 1S 0.05267 0.00698 -0.01104 0.00455 -0.01798 92 2S -0.10166 0.03185 0.00333 -0.01455 0.02945 93 2PX -0.00772 0.02176 0.01262 -0.06583 -0.01343 94 2PY 0.05093 -0.02058 0.00955 -0.05123 -0.05662 95 2PZ -0.01398 -0.00815 0.01897 -0.18404 -0.03666 96 3S -0.37571 -0.92049 0.40049 0.00527 0.17460 97 3PX 0.03936 0.04692 0.03758 -0.07076 -0.07015 98 3PY 0.85856 -0.60851 0.13569 -0.06397 -0.51163 99 3PZ -0.22684 0.10012 0.03502 -0.59487 -0.02328 100 4XX 0.01089 -0.00478 -0.00040 0.00091 -0.00821 101 4YY -0.00220 -0.00352 0.00244 0.00518 0.00615 102 4ZZ -0.00173 0.00209 -0.00029 -0.00562 -0.00042 103 4XY -0.00136 -0.00528 -0.00020 0.00344 0.00682 104 4XZ -0.00593 0.00588 -0.00100 -0.00118 0.00252 105 4YZ 0.00044 0.00443 -0.00209 0.01200 -0.00001 106 8 C 1S -0.03844 -0.00877 0.00914 -0.01860 0.02394 107 2S 0.08809 -0.03893 -0.00291 0.03845 -0.01789 108 2PX -0.04996 0.00703 0.00795 0.06085 0.07485 109 2PY -0.03729 -0.03149 0.01146 0.04246 0.09902 110 2PZ 0.02715 0.00818 -0.02480 0.19926 0.01372 111 3S 0.05567 0.83630 -0.38367 0.18454 -0.46301 112 3PX -0.61291 0.50840 -0.12545 0.13320 0.63933 113 3PY -0.39914 0.02182 0.02820 -0.02777 0.07808 114 3PZ 0.38311 -0.22310 -0.03887 0.60502 -0.12338 115 4XX -0.00685 0.00312 0.00075 -0.00668 -0.00216 116 4YY -0.00550 0.00130 -0.00174 -0.00607 -0.00013 117 4ZZ 0.00630 -0.00209 -0.00102 0.01352 0.00571 118 4XY 0.00615 0.00790 -0.00090 -0.00255 0.00048 119 4XZ 0.00326 -0.00680 0.00152 -0.01037 -0.00318 120 4YZ -0.00041 -0.00485 0.00204 -0.00593 -0.00327 121 9 H 1S -0.02289 0.02730 -0.00129 0.00589 0.02805 122 2S -0.88512 0.17514 0.11465 -0.28209 0.87093 123 10 H 1S 0.00450 -0.01817 0.00586 0.00556 0.01514 124 2S 1.06436 -0.26533 -0.02633 0.04898 -0.57431 125 11 H 1S -0.00180 0.01206 -0.00702 -0.00493 0.00592 126 2S -0.86547 0.66374 -0.06164 -0.03342 0.09053 127 12 H 1S 0.00791 -0.00096 0.00331 0.00156 -0.02488 128 2S 0.52725 -1.56882 0.27639 0.06322 0.46095 129 13 H 1S -0.02255 0.03208 -0.00445 -0.00099 -0.02516 130 2S 0.24315 1.69747 -0.73146 -0.05090 -0.53317 131 14 O 1S 0.01411 0.02177 0.00281 0.01526 0.02395 132 2S -0.04568 -0.02560 -0.01443 0.00399 -0.02410 133 2PX 0.01684 -0.04639 0.08334 -0.04030 0.02608 134 2PY 0.03014 0.01552 0.01383 0.00241 0.02971 135 2PZ 0.01690 0.00647 0.02513 -0.03900 -0.06567 136 3S -0.08588 -0.34548 -0.03019 -0.36381 -0.44915 137 3PX -0.03899 -0.01139 0.08318 -0.05752 -0.02959 138 3PY 0.06089 0.11560 0.04203 0.10046 0.12207 139 3PZ -0.00319 -0.07262 -0.00464 -0.10884 -0.14315 140 4XX 0.00523 0.01249 -0.00052 0.00742 0.01375 141 4YY -0.00909 0.00055 -0.00898 0.00670 0.00407 142 4ZZ -0.00715 0.00429 -0.00264 0.01515 0.00715 143 4XY 0.00095 0.00506 -0.00024 -0.00285 -0.00235 144 4XZ 0.00042 -0.00150 0.00625 0.00312 -0.00101 145 4YZ -0.00050 0.00597 0.00218 0.00662 0.00590 146 15 C 1S 0.01117 0.00707 0.00972 -0.02872 0.00664 147 2S 0.04277 -0.04953 -0.03764 0.05399 0.00025 148 2PX 0.02697 -0.00104 -0.15532 0.02706 0.05060 149 2PY -0.01560 0.04050 0.08670 0.00766 0.11025 150 2PZ -0.08351 0.02722 0.05640 0.02806 0.08186 151 3S -0.63508 0.43045 -0.19334 0.50760 -0.30157 152 3PX 0.10590 -0.37619 -0.37841 0.24825 0.10509 153 3PY -0.17566 -0.07347 0.27681 0.25731 0.39115 154 3PZ -0.01962 -0.26623 0.05390 0.14738 0.29133 155 4XX -0.00336 -0.00772 -0.01176 0.00112 -0.00407 156 4YY 0.01599 0.00647 -0.00143 -0.00525 0.02010 157 4ZZ -0.00782 0.00297 0.00326 0.00968 -0.01010 158 4XY 0.01028 0.00066 -0.00216 -0.00611 0.00877 159 4XZ -0.00208 -0.00013 -0.00387 0.00924 -0.01336 160 4YZ 0.00299 -0.00511 0.00931 0.00175 -0.01317 161 16 C 1S -0.03685 -0.03067 -0.03136 0.01348 -0.02714 162 2S 0.06754 0.06752 0.01258 0.00035 0.03145 163 2PX 0.04591 0.05672 0.11372 0.02673 0.02897 164 2PY -0.01354 -0.05573 -0.13508 -0.06914 0.07716 165 2PZ 0.00052 0.01022 -0.04415 0.00987 -0.02176 166 3S 0.56945 0.05750 0.74280 -0.08270 0.35218 167 3PX 0.00218 0.42898 0.43037 -0.01713 0.28263 168 3PY -0.02428 -0.36622 -0.43478 -0.10508 0.29901 169 3PZ 0.14048 0.60589 0.04732 0.00410 -0.07294 170 4XX -0.00934 0.00159 0.00306 0.00208 0.01028 171 4YY -0.00189 -0.00391 0.00107 0.00763 -0.00384 172 4ZZ 0.01345 -0.00394 -0.00988 0.00179 -0.01237 173 4XY 0.00098 -0.00379 -0.00895 0.00646 -0.00287 174 4XZ -0.00128 -0.00313 0.00306 0.00153 0.00049 175 4YZ -0.00711 0.00394 -0.00384 -0.00143 0.01118 176 17 C 1S 0.01089 0.03123 0.02670 0.00709 -0.00266 177 2S -0.01365 -0.07401 -0.03227 0.01411 -0.02822 178 2PX -0.00905 -0.01091 -0.12344 0.01734 0.00284 179 2PY -0.03955 0.07286 0.09133 0.04307 0.01028 180 2PZ -0.01226 0.02612 0.08699 0.00793 0.04093 181 3S -0.19454 0.03252 -0.54411 -0.40343 0.47354 182 3PX -0.09483 0.18858 -0.35134 0.09971 0.01990 183 3PY -0.13107 0.84362 0.37938 0.09124 0.23729 184 3PZ -0.11302 -0.18495 0.12683 0.12864 -0.03339 185 4XX 0.00762 0.00417 0.00726 0.00304 -0.00390 186 4YY -0.00119 -0.00413 -0.01193 -0.00544 0.00230 187 4ZZ -0.00459 0.00616 0.00517 0.00299 0.00043 188 4XY 0.00333 0.00242 0.00647 -0.00409 0.00213 189 4XZ 0.00225 0.00625 -0.00161 0.00118 -0.00021 190 4YZ 0.00136 -0.00298 0.00096 -0.00216 -0.00023 191 18 C 1S 0.00927 -0.02408 0.00516 -0.00469 -0.01006 192 2S -0.02567 0.07236 -0.01438 -0.00235 0.03879 193 2PX -0.03535 0.01887 0.11511 0.02364 0.01192 194 2PY -0.00348 -0.03910 -0.10942 -0.00780 -0.00491 195 2PZ 0.02647 -0.03116 -0.08060 0.01858 -0.04575 196 3S 0.04300 -0.19046 -0.00595 0.23702 -0.08736 197 3PX 0.02623 -0.44281 0.39619 0.20314 -0.35044 198 3PY 0.06648 -0.47915 -0.36814 -0.01690 -0.17923 199 3PZ 0.15255 -0.40767 -0.09076 0.21249 -0.45795 200 4XX 0.00037 -0.00058 -0.01105 -0.00093 0.00138 201 4YY 0.00391 -0.00286 0.01011 0.00008 -0.00044 202 4ZZ -0.00380 -0.00180 0.00186 0.00211 -0.00391 203 4XY 0.00696 0.00048 0.00427 0.00065 0.00098 204 4XZ -0.00508 -0.00440 -0.00276 0.00079 -0.00134 205 4YZ -0.00306 0.00882 0.00522 -0.00149 0.01034 206 19 C 1S -0.03224 0.01018 -0.03410 -0.00483 0.00073 207 2S 0.05902 -0.04728 0.04619 0.01507 -0.01149 208 2PX 0.04271 -0.00128 -0.14173 -0.02550 0.06757 209 2PY -0.01005 0.02122 0.08788 0.00962 0.03747 210 2PZ -0.02629 0.05403 0.06350 -0.03380 0.12244 211 3S 0.41330 0.41047 0.57082 -0.12008 0.31968 212 3PX 0.08833 0.24336 -0.48700 -0.23593 0.51584 213 3PY 0.22491 -0.16032 0.41669 0.09929 0.03975 214 3PZ -0.31807 0.63097 -0.07656 -0.33822 0.83848 215 4XX -0.00487 -0.00056 0.00315 -0.00298 0.00384 216 4YY -0.00295 0.00776 -0.00019 -0.00049 0.00759 217 4ZZ 0.00505 -0.00146 -0.00437 0.00078 -0.00599 218 4XY -0.00397 0.00286 -0.01208 -0.00381 0.00657 219 4XZ -0.00050 0.00319 0.00598 -0.00164 -0.00189 220 4YZ 0.00003 -0.00266 -0.00460 -0.00142 -0.00180 221 20 C 1S 0.04401 -0.00451 0.03896 0.00292 0.00513 222 2S -0.05987 0.04173 -0.06235 -0.00425 0.00201 223 2PX -0.06646 0.02332 0.10313 0.00850 0.03960 224 2PY -0.04160 -0.00511 -0.15862 -0.01854 0.01672 225 2PZ 0.06723 -0.01095 -0.03749 0.03626 -0.07305 226 3S -0.50417 -0.54168 -0.68529 0.03374 -0.32154 227 3PX -0.09453 0.25851 0.19140 -0.23770 0.59514 228 3PY -0.40078 0.43516 -0.69695 -0.36865 0.38272 229 3PZ 0.48715 -0.19162 -0.02479 -0.03631 0.12023 230 4XX 0.00374 0.00441 0.00624 -0.00096 0.00863 231 4YY 0.00447 -0.00650 -0.00848 0.00046 -0.01505 232 4ZZ 0.00160 -0.00278 0.00095 0.00103 0.00337 233 4XY 0.00273 -0.00099 0.00634 -0.00185 0.00701 234 4XZ 0.01129 -0.00396 -0.00479 -0.00108 0.00775 235 4YZ 0.00328 0.00435 -0.00341 -0.00350 0.01387 236 21 H 1S 0.00999 -0.02373 0.01364 0.01062 -0.06193 237 2S 0.84444 -0.34182 0.93744 0.38508 -0.50592 238 22 H 1S -0.00020 0.01158 0.01210 0.00380 -0.00901 239 2S -0.45075 0.53642 -0.66333 -0.38541 0.83754 240 23 H 1S 0.00362 -0.00647 0.00118 0.00150 0.01094 241 2S 0.10420 -0.66080 0.03727 0.15922 -0.44924 242 24 H 1S 0.00320 0.00598 -0.01074 -0.01767 0.02095 243 2S -0.05852 0.88768 0.39148 0.23655 0.10732 244 25 H 1S 0.01803 -0.02677 -0.00448 0.00322 -0.04811 245 2S -0.38836 -0.90565 -0.74554 -0.04896 -0.14980 246 26 O 1S -0.00332 0.00555 0.00440 0.01796 -0.02572 247 2S 0.01619 0.01183 0.00377 -0.02698 0.03300 248 2PX 0.04442 0.02543 0.02341 -0.00603 -0.05653 249 2PY -0.00372 -0.02316 -0.01915 -0.05584 0.10660 250 2PZ -0.15695 -0.05449 -0.01518 0.08699 -0.17928 251 3S 0.04073 -0.17109 -0.09940 -0.28811 0.35556 252 3PX 0.10846 0.09480 0.08365 0.00651 -0.12805 253 3PY 0.04811 -0.00727 0.01104 -0.15222 0.21157 254 3PZ -0.42341 -0.10662 -0.04674 0.25408 -0.39329 255 4XX 0.00115 0.00716 0.00582 0.00197 -0.00772 256 4YY 0.00057 0.00580 0.00092 0.00260 -0.00097 257 4ZZ 0.01128 0.00602 0.00519 -0.00126 -0.01093 258 4XY 0.00005 0.00007 -0.00360 0.00120 0.00293 259 4XZ 0.00786 0.00172 -0.00054 -0.00184 -0.00114 260 4YZ -0.01053 -0.00046 0.00096 0.00110 0.00235 261 27 H 1S 0.04148 0.02009 0.01730 -0.00765 0.02850 262 2S 0.73893 0.29139 0.13127 -0.21130 0.38648 263 28 H 1S -0.03197 -0.01741 -0.03493 -0.01214 -0.03816 264 2S -0.75375 -0.04533 0.09715 0.08005 0.31741 76 77 78 79 80 V V V V V Eigenvalues -- 0.39549 0.43457 0.44384 0.46514 0.46765 1 1 C 1S -0.03935 0.08419 -0.00169 -0.02447 -0.04287 2 2S 0.01993 -0.11771 0.01270 0.08390 -0.00461 3 2PX -0.00770 -0.00469 0.15391 0.09174 0.11698 4 2PY 0.06530 0.20062 0.02690 -0.04064 0.05645 5 2PZ 0.09165 0.14947 -0.01623 0.09462 -0.06121 6 3S 0.76609 -1.41412 -0.00011 0.04450 1.00849 7 3PX -0.04196 0.35698 0.48634 1.26278 0.68499 8 3PY 0.35915 0.55147 0.14296 -0.01154 0.01642 9 3PZ 0.22027 1.08968 -0.09338 0.64955 -0.50030 10 4XX -0.01091 -0.00608 0.00109 -0.00887 -0.00650 11 4YY 0.01250 -0.01169 0.00786 0.01667 0.01529 12 4ZZ -0.00422 0.01361 -0.00399 0.00580 -0.01233 13 4XY -0.00411 0.00737 0.00515 0.01652 -0.00457 14 4XZ -0.00477 0.00614 0.00750 -0.00672 0.00598 15 4YZ 0.01358 -0.00093 0.00205 0.00201 0.00353 16 2 C 1S 0.00702 -0.06072 0.06148 0.03037 0.06280 17 2S -0.00135 -0.02634 -0.05492 -0.09625 -0.01989 18 2PX 0.06438 -0.08538 -0.07068 -0.09987 0.07758 19 2PY -0.00359 -0.03492 0.05438 0.05536 0.02202 20 2PZ -0.02068 -0.05654 -0.02793 -0.15377 -0.10408 21 3S -0.23097 1.59979 -1.17524 -0.10549 -1.63665 22 3PX 0.14155 -0.34295 -0.12496 -0.13128 0.26991 23 3PY -0.28926 0.40839 -0.20410 1.21268 0.07560 24 3PZ -0.02329 -0.43570 0.04093 -1.09969 -0.33516 25 4XX -0.00600 -0.00828 -0.00519 0.00029 0.00173 26 4YY 0.00245 -0.00352 0.00431 0.00374 0.00587 27 4ZZ -0.00201 0.00407 0.00008 0.00295 -0.00316 28 4XY 0.00231 0.00554 -0.01222 0.00286 -0.00640 29 4XZ 0.00064 0.01899 -0.01138 -0.00290 -0.01095 30 4YZ 0.00266 0.01062 -0.00109 -0.00171 -0.00525 31 3 C 1S -0.01492 0.03687 -0.08038 -0.02263 0.03176 32 2S 0.03965 -0.11152 0.11805 -0.00682 0.00585 33 2PX 0.02907 0.07764 -0.02204 0.02314 -0.04955 34 2PY -0.04190 -0.02115 0.02018 0.04644 0.16943 35 2PZ 0.00314 0.08963 0.02725 0.12205 0.01567 36 3S -0.16064 -0.31858 1.32821 0.58685 -1.20261 37 3PX 0.04441 -0.06568 0.16308 -0.53569 -0.30990 38 3PY 0.05522 -0.34223 0.06995 -0.26363 1.08448 39 3PZ -0.01834 0.40828 -0.06722 0.68640 -0.02131 40 4XX 0.00262 -0.00679 0.00666 -0.01823 0.00319 41 4YY -0.00437 -0.01128 -0.00669 0.00924 0.00289 42 4ZZ 0.00012 -0.00630 0.00900 -0.00151 0.00143 43 4XY -0.01030 -0.00623 0.01751 0.01138 0.00187 44 4XZ 0.00264 0.01104 -0.00205 0.01883 -0.00054 45 4YZ 0.00421 0.00186 -0.00811 -0.01366 -0.00652 46 4 C 1S -0.00737 -0.02647 0.03407 0.03503 -0.00368 47 2S -0.01230 0.01545 -0.03331 -0.07153 0.00921 48 2PX 0.04938 0.00529 -0.03388 -0.04109 0.00083 49 2PY 0.01971 -0.01187 0.04519 0.09305 -0.08688 50 2PZ -0.02513 -0.04903 0.01189 -0.04016 0.01513 51 3S 0.40127 0.69214 -0.79104 -0.35904 0.04564 52 3PX 0.29479 -0.24642 0.26238 -0.78921 -0.04661 53 3PY -0.16300 0.06113 -0.00502 0.52377 -0.76463 54 3PZ -0.09192 -0.08403 -0.13934 0.01186 0.14928 55 4XX 0.00017 -0.00743 0.00887 0.00588 0.01066 56 4YY 0.00139 0.00325 -0.01450 -0.01155 -0.00610 57 4ZZ -0.00035 0.00572 0.00356 0.00450 -0.00045 58 4XY 0.00933 -0.00442 0.00597 -0.01888 -0.01708 59 4XZ -0.00371 -0.00068 -0.00567 -0.00645 -0.00301 60 4YZ -0.00547 -0.00617 -0.00058 0.00010 0.00630 61 5 C 1S 0.02338 -0.00250 0.01654 -0.02615 0.00370 62 2S -0.01484 -0.01400 0.00942 0.04304 0.01256 63 2PX 0.04411 0.01349 0.01505 -0.09165 -0.03072 64 2PY 0.01732 -0.02920 0.06555 0.03118 0.06701 65 2PZ -0.02456 0.03047 -0.02059 0.05566 0.00286 66 3S -0.81068 0.31918 -0.73635 0.73359 -0.40561 67 3PX 0.36430 -0.03833 0.28596 -0.56524 0.00891 68 3PY 0.13152 -0.45134 0.95472 0.56849 -0.02881 69 3PZ -0.18151 0.22805 -0.30511 0.23785 0.02719 70 4XX -0.00312 0.00745 -0.01288 -0.00692 0.00107 71 4YY -0.00122 -0.00311 0.00601 0.00715 -0.00188 72 4ZZ 0.00008 -0.00240 0.00339 0.00362 -0.00048 73 4XY -0.00369 -0.00738 0.01659 0.01513 -0.00976 74 4XZ 0.00290 -0.00045 0.00399 0.00299 0.00234 75 4YZ 0.00179 0.00196 -0.00704 -0.00816 0.00497 76 6 C 1S -0.00074 0.02325 -0.05614 -0.02831 0.03005 77 2S -0.03860 -0.00862 0.03719 0.02957 -0.02596 78 2PX 0.03440 0.01895 -0.10855 -0.06925 0.10927 79 2PY 0.02444 -0.04339 0.08406 0.01484 -0.01218 80 2PZ -0.01668 -0.03249 0.02308 -0.01283 -0.05062 81 3S 0.53807 -0.88763 1.91260 0.88413 -0.80895 82 3PX -0.11067 0.30745 -0.85361 -0.53427 1.06880 83 3PY 0.45662 -0.33111 0.69403 -0.13883 0.06309 84 3PZ -0.04235 -0.15395 0.20119 0.15720 -0.48496 85 4XX 0.01249 -0.00438 0.00790 -0.01043 0.00799 86 4YY -0.00767 -0.00104 0.00224 0.01509 -0.01428 87 4ZZ -0.00225 0.00141 -0.00039 -0.00074 0.00098 88 4XY 0.00235 0.00400 -0.00588 -0.01112 -0.00423 89 4XZ -0.00840 0.00100 -0.00417 0.00555 -0.00323 90 4YZ -0.00029 0.00127 0.00091 0.00267 0.00540 91 7 C 1S -0.03561 -0.00285 0.01030 0.02830 -0.05240 92 2S 0.05584 -0.02323 0.02406 -0.02400 0.03570 93 2PX 0.00762 0.04322 -0.06364 -0.06551 0.00187 94 2PY -0.00798 -0.01124 0.02039 -0.05251 0.11060 95 2PZ -0.01005 0.00425 0.02993 0.06459 -0.01661 96 3S 0.44728 0.29260 -0.58933 -0.89374 1.75216 97 3PX -0.32549 0.44262 -0.98134 -0.37220 0.38361 98 3PY -0.39648 0.20723 -0.22014 -0.41259 0.81271 99 3PZ 0.21408 -0.11166 0.48161 0.38443 -0.29646 100 4XX -0.01303 0.00242 0.00305 0.00300 -0.00642 101 4YY 0.00912 0.00409 -0.01234 -0.00522 0.01575 102 4ZZ 0.00023 -0.00319 0.00662 0.00006 -0.00253 103 4XY 0.00504 -0.01015 0.02195 0.00438 -0.00712 104 4XZ 0.00541 -0.00038 -0.00283 0.00037 0.00465 105 4YZ -0.00289 0.00208 -0.00633 -0.00266 -0.00128 106 8 C 1S 0.07134 -0.01937 0.04747 -0.00909 -0.00808 107 2S -0.12616 0.01684 -0.06694 0.03211 0.00235 108 2PX 0.12033 0.01998 -0.08515 -0.01456 0.00665 109 2PY 0.07255 -0.01913 -0.01862 0.02535 0.06740 110 2PZ -0.04892 -0.02396 0.02577 -0.04795 -0.02175 111 3S -1.03376 0.05571 -0.84566 -0.29355 0.49871 112 3PX 0.57260 -0.11540 -0.23422 0.23843 -0.39266 113 3PY 0.45928 -0.19987 -0.10091 -0.34006 1.15303 114 3PZ -0.34647 -0.10470 0.09659 -0.27308 -0.12701 115 4XX 0.00267 0.00254 -0.01285 -0.00605 0.01915 116 4YY -0.00188 -0.01023 0.01821 0.00703 -0.01527 117 4ZZ -0.00431 -0.00311 -0.00491 -0.00539 -0.00303 118 4XY 0.00476 0.01168 -0.00596 0.00384 -0.01418 119 4XZ -0.00455 0.00382 0.00743 0.01196 -0.00571 120 4YZ -0.00250 0.00541 0.00012 0.00920 0.01251 121 9 H 1S 0.04582 0.00255 -0.04735 -0.04284 0.03507 122 2S 1.46016 -0.10466 -0.05344 0.08484 -0.00425 123 10 H 1S 0.01499 0.00105 -0.01367 -0.00609 0.05034 124 2S -0.58079 0.10222 -0.14999 -0.28550 0.44718 125 11 H 1S 0.01505 -0.02165 0.03719 0.03139 0.01609 126 2S 0.15655 -0.21203 0.58277 0.13071 -0.53944 127 12 H 1S -0.01709 0.00575 -0.00347 0.01831 -0.02973 128 2S -0.18903 0.16263 -0.37866 0.30659 0.05595 129 13 H 1S 0.01125 0.01404 -0.03162 -0.02911 -0.03009 130 2S -0.10110 -0.26040 0.14410 -0.35159 0.66480 131 14 O 1S -0.01265 0.04223 -0.02768 0.04763 -0.00871 132 2S 0.01074 -0.01673 0.04539 -0.00287 -0.00310 133 2PX 0.01092 0.03397 0.03137 0.01441 -0.05115 134 2PY -0.00484 0.08915 -0.06094 0.04564 -0.03146 135 2PZ 0.03075 -0.00409 0.02798 0.04349 0.04740 136 3S 0.25381 -0.91091 0.47321 -1.20046 0.22390 137 3PX -0.02019 0.10051 0.05703 0.04738 -0.08014 138 3PY -0.06383 0.39543 -0.21503 0.42856 -0.08174 139 3PZ 0.09506 -0.14812 0.13799 -0.11158 0.13972 140 4XX -0.00785 0.02238 -0.01022 0.03267 -0.00346 141 4YY -0.00107 0.01137 0.00560 0.01082 -0.00535 142 4ZZ -0.00290 0.02417 -0.00109 0.02696 -0.00976 143 4XY -0.00158 0.00438 -0.00052 0.00048 -0.00440 144 4XZ 0.00441 0.00571 -0.00674 -0.00164 -0.00561 145 4YZ -0.00685 0.01694 -0.00849 0.02343 -0.00267 146 15 C 1S 0.01538 -0.08158 -0.06949 0.01242 -0.00933 147 2S -0.05725 0.02096 0.10138 -0.03356 0.01983 148 2PX 0.07393 0.07888 -0.04565 0.01418 -0.10755 149 2PY 0.01649 0.04879 0.02468 0.03464 0.11917 150 2PZ -0.10025 0.03745 0.01416 0.12989 0.00100 151 3S -0.04628 1.49716 1.52839 -0.14811 0.14000 152 3PX 0.21127 0.85577 -0.34444 0.81654 -0.37851 153 3PY -0.05352 0.72283 -0.10782 0.61573 0.31596 154 3PZ -0.30030 0.06995 0.01372 0.79661 -0.21286 155 4XX 0.00894 -0.01151 0.00327 0.01184 0.00728 156 4YY -0.01419 -0.00188 0.00609 -0.01986 -0.00535 157 4ZZ 0.00059 -0.00481 0.00332 0.00890 -0.00153 158 4XY -0.00638 -0.01052 -0.00438 -0.00587 -0.00642 159 4XZ 0.00007 -0.01959 -0.00227 0.01666 0.00460 160 4YZ -0.00722 -0.00933 -0.00853 -0.00474 -0.00818 161 16 C 1S -0.04339 0.02981 0.02487 0.01787 0.02174 162 2S -0.01187 -0.07797 -0.02035 -0.02481 -0.03902 163 2PX -0.14334 0.03747 0.05210 0.02835 0.04541 164 2PY 0.00494 0.00468 -0.04218 -0.03416 0.02479 165 2PZ 0.19101 0.04629 0.04728 0.01901 0.06715 166 3S 0.91082 -0.21982 -0.58721 -0.09218 -0.48404 167 3PX 0.10188 0.01897 -0.03956 0.25278 0.86435 168 3PY -0.07463 0.34317 -0.51426 0.26598 0.27336 169 3PZ 0.79163 -0.06187 0.15060 -0.03034 0.56001 170 4XX 0.00205 -0.00414 -0.00271 0.00811 0.00123 171 4YY -0.01367 0.00787 0.01237 0.00207 -0.00551 172 4ZZ -0.00824 -0.01087 -0.01008 -0.00425 -0.00561 173 4XY -0.00403 0.01387 0.00101 0.00385 -0.01301 174 4XZ -0.00720 -0.00814 -0.00716 0.01332 0.00888 175 4YZ 0.00778 0.00875 -0.00371 0.01118 0.00142 176 17 C 1S 0.02098 0.00575 0.01971 -0.03448 -0.03894 177 2S -0.05673 0.02261 0.00119 0.04389 0.01976 178 2PX 0.08248 0.07309 -0.00620 0.03541 0.00797 179 2PY -0.02830 0.01007 -0.01947 0.10231 0.06742 180 2PZ -0.06040 0.05807 0.04229 -0.02422 -0.03484 181 3S -0.15972 -0.51094 -0.77815 0.71284 1.41453 182 3PX 0.29119 0.50382 0.17682 0.16219 0.30123 183 3PY 0.26644 -0.34205 -0.38512 0.69049 0.56878 184 3PZ -0.44410 0.76424 0.65784 -0.27615 0.07494 185 4XX -0.00759 -0.00409 -0.00526 0.00412 -0.00666 186 4YY 0.00100 -0.00380 -0.00575 -0.00338 0.01029 187 4ZZ 0.00385 0.00520 0.00742 0.00142 0.00185 188 4XY -0.00347 -0.01528 -0.01307 -0.00259 -0.00071 189 4XZ 0.01032 -0.00396 -0.00216 0.00296 -0.00453 190 4YZ 0.01362 -0.01194 -0.01051 0.00028 -0.00869 191 18 C 1S 0.00489 -0.04930 -0.04512 0.02446 -0.01537 192 2S 0.00711 0.03208 0.03088 -0.01978 0.00876 193 2PX -0.07263 0.05232 0.10695 -0.04530 0.03774 194 2PY 0.01808 0.07166 0.04409 -0.05690 0.05589 195 2PZ 0.06634 0.06685 0.05150 -0.02342 -0.04349 196 3S -0.32003 1.70199 1.45521 -0.75738 0.53477 197 3PX -0.34293 0.51724 0.78909 -0.38813 0.18382 198 3PY -0.12625 0.41443 0.42607 -0.14211 0.87491 199 3PZ 0.18434 0.47386 0.51745 -0.38369 -0.58187 200 4XX 0.00610 0.00840 -0.00031 -0.00054 0.00184 201 4YY 0.00350 -0.00275 0.00616 -0.01219 -0.01073 202 4ZZ -0.01049 0.00209 0.00215 0.00787 0.01095 203 4XY 0.00209 0.00841 0.00301 -0.00701 -0.01017 204 4XZ -0.00548 0.00390 0.00263 0.00413 0.01315 205 4YZ -0.00186 0.00349 -0.00048 -0.00069 0.00180 206 19 C 1S -0.01948 0.00372 0.01325 0.01050 0.04326 207 2S 0.02318 0.02865 0.01426 -0.01040 -0.02546 208 2PX 0.04836 0.09712 -0.01807 -0.00784 -0.02410 209 2PY -0.05462 0.04766 0.03955 0.00726 0.09822 210 2PZ -0.05954 -0.00299 -0.00608 -0.04126 -0.05747 211 3S 0.41464 -0.57932 -0.66447 -0.46411 -1.45924 212 3PX 0.08547 0.44258 0.05983 -0.57153 -0.16777 213 3PY -0.15228 0.74551 0.72276 -0.46538 0.67474 214 3PZ -0.24373 -0.26232 -0.33857 -0.31790 -0.54627 215 4XX -0.00508 -0.01634 -0.00531 0.00091 0.00302 216 4YY -0.00469 0.01394 0.00753 -0.01062 -0.00045 217 4ZZ 0.01028 0.00048 -0.00567 0.00545 -0.00903 218 4XY -0.00232 -0.00370 -0.00516 -0.00030 0.00271 219 4XZ -0.00043 -0.01644 -0.01280 0.00760 -0.00551 220 4YZ -0.00312 -0.00621 -0.01217 0.01283 -0.00046 221 20 C 1S 0.01726 0.04446 0.03438 -0.04749 -0.00279 222 2S -0.00041 -0.10428 -0.03157 0.02964 0.03071 223 2PX -0.05797 -0.05867 0.06557 -0.06471 0.02236 224 2PY -0.02663 0.09548 0.02000 -0.06967 -0.05996 225 2PZ 0.13255 0.06475 -0.02871 0.07434 -0.03554 226 3S -0.47682 -0.81350 -0.66009 1.34251 -0.13361 227 3PX -0.33770 -0.23101 -0.11610 -0.35825 -0.40627 228 3PY -0.25304 -0.05294 0.06422 -0.95157 -0.48150 229 3PZ 0.26977 0.02089 -0.40409 0.17463 -0.42767 230 4XX 0.00077 0.00592 -0.00324 0.00551 -0.00192 231 4YY 0.00663 -0.02070 -0.00758 -0.00357 -0.01145 232 4ZZ -0.00259 0.00076 0.01273 -0.00161 0.02297 233 4XY -0.00218 -0.00828 -0.00584 0.01041 -0.00239 234 4XZ 0.00280 0.00943 0.00334 -0.00790 0.00476 235 4YZ 0.00356 0.00604 -0.00638 0.00108 -0.00572 236 21 H 1S 0.01974 -0.06605 -0.00767 0.00642 -0.02859 237 2S 0.70199 0.23865 0.05817 0.49855 0.34896 238 22 H 1S 0.01420 -0.01245 -0.00877 0.00422 -0.03675 239 2S -0.26376 -0.08320 -0.29580 -0.15935 -0.41060 240 23 H 1S -0.00663 0.04312 0.01603 -0.00847 0.01587 241 2S -0.10750 0.35456 0.59106 -0.33734 0.13133 242 24 H 1S -0.01156 -0.00624 -0.01462 -0.01115 0.04820 243 2S 0.52573 -0.10316 -0.22126 0.53492 0.24568 244 25 H 1S -0.06441 -0.05760 -0.02296 -0.00110 0.02175 245 2S -1.23284 0.14726 -0.20326 0.00569 -0.43444 246 26 O 1S 0.02167 -0.00378 0.00451 0.02833 0.01023 247 2S -0.04611 0.03738 0.01468 -0.03881 -0.03970 248 2PX 0.02134 -0.02033 -0.02839 0.03386 -0.01874 249 2PY -0.02907 -0.04606 -0.04195 -0.05506 0.04400 250 2PZ 0.04910 -0.08544 -0.01699 0.08832 0.03566 251 3S -0.22638 -0.14595 -0.09447 -0.51111 -0.06276 252 3PX 0.03562 0.00756 -0.06514 0.01531 -0.09796 253 3PY -0.10305 -0.12726 -0.04868 -0.19883 -0.00499 254 3PZ 0.08928 -0.11625 0.00754 0.33267 0.09987 255 4XX -0.00156 0.01552 0.00431 0.00328 -0.01015 256 4YY 0.00345 0.01795 0.00637 0.00846 -0.00397 257 4ZZ 0.00516 -0.01424 0.01614 0.00092 0.00283 258 4XY -0.00400 0.00586 0.00103 0.00954 0.00078 259 4XZ 0.00125 0.00108 -0.00655 0.00983 -0.00778 260 4YZ 0.00469 -0.00005 -0.00324 0.00315 0.00866 261 27 H 1S 0.01168 -0.02174 0.03027 -0.04693 0.03310 262 2S 0.08636 0.02988 0.07349 -0.10887 0.00325 263 28 H 1S 0.02454 -0.03193 0.01130 -0.01225 0.04507 264 2S -0.72103 -0.41243 0.13202 -0.00518 -0.01723 81 82 83 84 85 V V V V V Eigenvalues -- 0.47376 0.47869 0.48851 0.50896 0.51722 1 1 C 1S 0.06399 0.02579 -0.02462 0.02560 -0.00619 2 2S -0.07173 -0.05059 0.12355 0.03236 0.00438 3 2PX -0.14888 -0.04183 0.07504 -0.02562 0.09366 4 2PY 0.05058 0.04122 -0.07851 0.04125 0.02367 5 2PZ -0.04156 0.08691 -0.02309 -0.03198 0.03193 6 3S -1.33840 -0.60529 -0.05740 -0.95071 0.14343 7 3PX -0.85594 0.08635 0.44122 0.88169 1.31778 8 3PY -0.16523 0.22892 -0.13800 -0.08782 0.55897 9 3PZ 0.55273 0.37254 0.16462 0.87611 -0.21993 10 4XX 0.00112 -0.00223 -0.00261 -0.00062 0.00489 11 4YY -0.01491 -0.00192 0.00402 -0.00754 0.00889 12 4ZZ 0.00754 -0.00404 0.01218 0.01803 -0.00767 13 4XY 0.00447 0.00439 0.00978 -0.00887 0.00848 14 4XZ -0.00306 -0.00306 0.00299 0.01357 0.01301 15 4YZ -0.01082 -0.00300 -0.00053 0.00115 0.00432 16 2 C 1S -0.05596 -0.00237 -0.02740 0.00744 0.05736 17 2S 0.02633 -0.09673 0.09738 -0.08486 0.01737 18 2PX -0.09907 -0.09381 0.10248 -0.03353 0.04936 19 2PY 0.01608 0.07791 -0.04211 0.04167 -0.05066 20 2PZ 0.12129 0.03891 -0.14553 -0.05719 -0.07553 21 3S 1.45949 0.39858 0.28162 0.33452 -1.67575 22 3PX -0.55095 -0.38109 -0.03795 -0.16167 0.42157 23 3PY -0.18089 0.38206 -0.09767 0.76875 0.40701 24 3PZ 0.65415 -0.06018 -0.31117 -0.47459 -0.59891 25 4XX 0.00017 -0.01504 0.01768 -0.00729 -0.02967 26 4YY -0.00129 0.00848 -0.02608 0.00811 0.02448 27 4ZZ -0.00182 -0.00328 0.01031 -0.00037 0.00809 28 4XY 0.00081 0.00090 0.00750 0.00543 -0.01031 29 4XZ 0.00945 0.01085 -0.00943 0.00742 0.00534 30 4YZ 0.00674 -0.00150 0.01505 -0.00262 -0.00866 31 3 C 1S -0.02588 -0.00169 -0.02596 0.01279 -0.05637 32 2S -0.00587 -0.02760 0.00354 -0.06146 0.05911 33 2PX 0.05316 0.02156 0.23338 -0.00675 -0.10251 34 2PY -0.07995 0.06883 0.09312 0.00132 -0.09021 35 2PZ -0.05899 -0.01045 -0.03546 0.03671 0.09143 36 3S 0.91720 -0.12050 1.42610 -0.23774 1.74174 37 3PX 0.60174 -0.07707 1.52188 -0.59703 -0.94994 38 3PY -0.19646 0.39302 0.86107 -0.16325 -0.92588 39 3PZ -0.38398 -0.02360 -0.63271 0.40412 0.69372 40 4XX 0.00505 0.00024 -0.00238 -0.00976 0.02206 41 4YY -0.01456 -0.01962 0.01964 -0.00822 -0.01715 42 4ZZ 0.00175 0.00335 -0.00734 -0.00053 0.00663 43 4XY 0.00442 0.01924 -0.02471 0.00826 -0.01002 44 4XZ -0.00681 -0.00316 0.01337 0.00645 -0.00142 45 4YZ 0.00732 -0.00156 -0.00095 -0.00425 0.00633 46 4 C 1S -0.00459 -0.01539 0.03510 -0.01053 -0.05691 47 2S 0.02094 0.01538 -0.01387 -0.01907 0.02682 48 2PX 0.00519 -0.01135 0.14068 -0.01032 0.12554 49 2PY 0.01490 -0.06866 0.03260 -0.02166 -0.11359 50 2PZ 0.00279 0.01994 -0.08880 0.00274 -0.00747 51 3S -0.31568 0.18331 -1.33091 0.60200 2.46251 52 3PX 0.54534 0.12511 1.73635 -0.47727 0.78299 53 3PY 0.07948 -0.79744 0.09283 -0.29091 -1.03730 54 3PZ -0.17556 0.10701 -0.89671 0.22967 -0.13954 55 4XX -0.00086 0.01740 0.00621 0.00446 -0.00489 56 4YY -0.00559 -0.01887 -0.01932 -0.00249 0.01070 57 4ZZ 0.00195 0.00410 0.00869 0.00018 0.00444 58 4XY 0.01970 -0.00049 0.01703 -0.01008 0.00663 59 4XZ -0.00021 -0.00792 -0.01169 -0.00176 0.00177 60 4YZ -0.00195 0.00463 -0.00870 0.00220 -0.00888 61 5 C 1S 0.03067 0.04867 0.04111 0.00493 0.03013 62 2S -0.03905 -0.02820 -0.02032 0.00438 -0.00870 63 2PX 0.07483 0.04488 0.06194 -0.01683 0.07475 64 2PY 0.01936 0.14219 -0.02202 0.05878 -0.09255 65 2PZ -0.04188 -0.04815 -0.00645 -0.00298 -0.01677 66 3S -0.81365 -1.62308 -1.76572 -0.16230 -1.01673 67 3PX 0.37289 0.57057 0.20533 0.11871 1.25140 68 3PY 0.42121 0.89082 0.17510 0.21734 -1.55333 69 3PZ -0.28602 -0.41898 -0.03685 -0.07785 -0.17764 70 4XX -0.00566 -0.00654 -0.02237 0.00300 0.00737 71 4YY 0.00371 0.00028 0.02252 -0.00570 -0.01207 72 4ZZ -0.00169 -0.00037 -0.00519 0.00176 0.00010 73 4XY 0.00297 -0.00299 -0.01100 0.00022 -0.01833 74 4XZ 0.00134 0.00456 0.01409 -0.00064 -0.00066 75 4YZ -0.00254 0.00144 -0.00178 0.00137 0.01235 76 6 C 1S -0.02953 -0.01998 0.00230 -0.00275 0.02260 77 2S 0.02941 0.02011 0.00999 -0.00383 0.01022 78 2PX -0.05386 0.00811 0.05822 -0.00835 -0.08014 79 2PY 0.06464 0.06871 0.13967 -0.02058 -0.10303 80 2PZ 0.02322 -0.01842 -0.07876 0.00274 0.04779 81 3S 0.80353 0.70292 -0.45345 0.23279 -1.20057 82 3PX -0.31500 0.63246 0.43478 0.14840 -0.14199 83 3PY 0.62126 1.08892 1.14365 0.13414 -0.36515 84 3PZ 0.03769 -0.49835 -0.48301 -0.10531 0.12072 85 4XX 0.00796 0.02291 -0.00142 0.00741 0.00020 86 4YY -0.00519 -0.02319 -0.00272 -0.00647 -0.00840 87 4ZZ 0.00137 0.00311 0.00386 -0.00011 0.00639 88 4XY 0.00388 -0.00385 0.01909 -0.00494 0.02509 89 4XZ -0.00336 -0.00953 -0.00472 -0.00252 -0.00561 90 4YZ -0.00046 0.00763 -0.00620 0.00380 -0.00902 91 7 C 1S 0.00274 -0.05624 0.00853 -0.01796 0.00418 92 2S -0.00546 0.04169 -0.03027 0.01034 0.02615 93 2PX 0.00885 -0.00043 0.16100 -0.00614 0.09835 94 2PY -0.00082 0.12868 -0.07487 0.03196 0.03914 95 2PZ -0.01416 -0.02840 -0.03373 -0.00685 -0.03955 96 3S 0.05787 1.95119 0.16494 0.49686 -0.70161 97 3PX -0.37975 -0.33378 1.36421 -0.23972 0.46818 98 3PY 0.06641 1.04607 -0.57181 0.33216 0.34905 99 3PZ 0.09081 -0.06755 -0.38141 0.06859 -0.24309 100 4XX 0.00257 -0.00100 -0.00958 -0.00022 0.02821 101 4YY -0.00432 0.00790 0.01236 0.00148 -0.03014 102 4ZZ 0.00263 0.00337 -0.00490 0.00149 0.00421 103 4XY 0.01191 0.01688 -0.00918 0.00655 0.00040 104 4XZ -0.00518 -0.00322 0.00767 -0.00133 -0.01048 105 4YZ -0.00305 -0.00808 -0.00166 -0.00191 0.00535 106 8 C 1S 0.01604 0.02481 -0.05764 0.01261 0.03141 107 2S -0.03042 -0.03440 0.04853 -0.01466 -0.00301 108 2PX -0.07138 -0.14219 -0.00167 -0.03518 -0.05528 109 2PY -0.03548 0.04909 -0.03071 0.04908 -0.16958 110 2PZ 0.05850 0.06026 -0.03664 0.02567 0.02161 111 3S -0.33114 -0.62810 2.00619 -0.65601 -0.99786 112 3PX -0.53825 -1.21377 0.12258 -0.20775 0.05484 113 3PY -0.16830 0.77070 -0.28938 0.13501 -1.69891 114 3PZ 0.36579 0.34681 -0.11143 -0.02410 0.28810 115 4XX -0.00970 0.00627 0.01591 -0.00131 -0.01411 116 4YY 0.00365 -0.01212 -0.01411 -0.00627 0.01739 117 4ZZ 0.00169 -0.00158 0.00488 -0.00061 -0.00122 118 4XY 0.00573 -0.00998 0.03263 -0.00167 0.00425 119 4XZ 0.00043 0.00045 -0.00905 0.00382 0.00789 120 4YZ -0.00868 0.00719 -0.00271 0.00625 -0.00146 121 9 H 1S -0.00192 -0.00472 0.09672 -0.02958 -0.03561 122 2S -0.55765 -0.74904 -0.39254 0.05789 -0.39954 123 10 H 1S 0.00429 0.05913 0.04952 0.01206 -0.11032 124 2S 0.03084 0.53067 -0.24167 0.12055 0.47229 125 11 H 1S -0.00114 0.03539 -0.06911 0.02472 -0.10319 126 2S 0.39939 0.01784 0.32086 -0.07681 0.09614 127 12 H 1S -0.00809 -0.03282 -0.11149 0.01046 -0.02070 128 2S -0.35129 -0.46957 0.04233 -0.08768 -0.26078 129 13 H 1S -0.01649 -0.07295 -0.04418 -0.01388 0.05586 130 2S -0.10952 0.54432 -0.17035 0.14613 0.26423 131 14 O 1S 0.00381 0.01889 0.01406 0.02495 -0.01692 132 2S -0.00373 -0.01496 -0.00732 0.03652 0.07647 133 2PX 0.06122 0.05456 0.01170 -0.05851 0.07309 134 2PY 0.01047 -0.00242 0.09628 0.00046 -0.07945 135 2PZ -0.05752 -0.01272 -0.00537 -0.00545 0.04728 136 3S -0.02955 -0.41265 -0.21098 -0.79139 0.00692 137 3PX 0.11789 0.08089 -0.01059 0.00559 0.00730 138 3PY 0.01033 0.13864 0.18386 0.24497 -0.09985 139 3PZ -0.13959 -0.11991 0.02784 -0.12778 0.09733 140 4XX -0.00215 0.01048 -0.00307 0.02161 0.00283 141 4YY 0.00233 -0.00658 0.02188 0.01748 0.01138 142 4ZZ 0.00577 0.01010 0.00697 0.02912 0.01165 143 4XY 0.00311 0.00704 -0.00716 0.00000 0.00190 144 4XZ 0.00584 0.00210 0.00609 -0.00001 -0.00361 145 4YZ -0.00217 0.00860 0.00167 0.01521 0.00304 146 15 C 1S 0.01625 0.01535 -0.01189 -0.07112 -0.01432 147 2S -0.03373 -0.05497 0.04446 -0.01242 0.11608 148 2PX 0.07955 0.02684 -0.01411 -0.03063 0.07919 149 2PY 0.05126 -0.03350 -0.03308 0.14990 0.07376 150 2PZ -0.10753 0.13705 0.02032 -0.04680 0.10358 151 3S -0.58804 -0.61005 0.56050 2.46951 -0.01759 152 3PX 0.32503 0.68457 -0.03541 0.46371 0.69782 153 3PY 0.94037 -0.24189 0.06862 1.62837 0.45956 154 3PZ -0.79556 0.92170 0.13156 -0.65686 0.88095 155 4XX -0.01166 -0.00713 0.01154 0.01545 0.00494 156 4YY -0.00115 -0.00398 0.00024 -0.00552 0.01211 157 4ZZ 0.00370 -0.00533 0.00458 -0.01820 0.00867 158 4XY -0.00177 -0.00436 0.00904 0.01238 0.00189 159 4XZ -0.00266 -0.00384 0.00974 -0.00559 0.00876 160 4YZ 0.00893 0.00242 0.00187 0.01929 -0.00714 161 16 C 1S 0.00522 0.01300 -0.00023 -0.06193 0.00096 162 2S -0.01925 -0.00441 0.02431 -0.00534 0.06034 163 2PX 0.07650 -0.00966 0.01644 -0.14463 0.04513 164 2PY 0.03555 -0.01390 -0.04690 -0.11957 -0.00177 165 2PZ -0.01504 -0.07565 -0.01957 -0.07098 -0.02154 166 3S 0.40117 -0.49168 0.07994 2.76634 0.00392 167 3PX 0.74230 -0.31555 -0.21830 -0.96553 -0.02078 168 3PY 0.98272 0.14856 -0.35263 -0.44628 0.13500 169 3PZ 0.35770 -0.52403 -0.12270 -0.88292 -0.29022 170 4XX -0.00106 -0.00081 -0.00493 -0.00491 0.00851 171 4YY -0.01898 0.00693 0.00892 0.00632 0.00800 172 4ZZ 0.02256 -0.00451 0.00274 0.00302 0.00253 173 4XY -0.00079 0.01154 0.00039 -0.01146 0.00791 174 4XZ 0.01212 0.00022 0.00001 -0.00092 0.00947 175 4YZ 0.00110 0.00783 -0.00662 -0.01058 0.00555 176 17 C 1S -0.06111 0.00739 0.00891 0.03257 -0.01782 177 2S 0.04661 0.01298 0.00385 -0.01685 0.04273 178 2PX 0.00268 0.04603 -0.02620 -0.09702 0.02263 179 2PY 0.10041 -0.00030 -0.00781 -0.04043 0.05462 180 2PZ -0.07566 0.06118 -0.01746 -0.08875 -0.00372 181 3S 2.12321 -0.57600 -0.43113 -1.15814 0.25365 182 3PX 0.05978 0.15773 -0.19022 -1.46915 -0.06860 183 3PY 0.71907 -0.06740 -0.08710 -0.60723 0.29293 184 3PZ -0.56390 0.29713 -0.07608 -1.32558 -0.21048 185 4XX 0.00288 0.00822 0.00440 0.01124 0.00552 186 4YY 0.01510 -0.00721 -0.00589 -0.00887 -0.00353 187 4ZZ -0.00776 0.00027 0.00083 -0.00845 0.00134 188 4XY 0.01014 0.00066 -0.00194 0.01009 -0.00062 189 4XZ -0.00900 0.00399 0.00321 0.00576 0.00244 190 4YZ -0.00731 0.00309 -0.00038 0.02235 0.00131 191 18 C 1S 0.01548 0.01649 0.00197 0.02951 0.01840 192 2S -0.01727 -0.02085 0.00239 0.00364 -0.00883 193 2PX -0.05224 -0.03894 0.01285 -0.01212 -0.01490 194 2PY 0.07194 -0.09300 -0.01349 0.08442 -0.03836 195 2PZ -0.09092 0.02733 0.00964 -0.07914 -0.02068 196 3S -0.39166 -0.33884 -0.18173 -1.48907 -0.53299 197 3PX -0.36434 -0.27886 0.10470 -0.11662 -0.25413 198 3PY 0.95148 -0.94395 -0.06106 0.12577 -0.15378 199 3PZ -1.13205 0.38473 0.13351 -0.23420 -0.26276 200 4XX 0.00298 0.00156 -0.00435 -0.01428 -0.00229 201 4YY -0.02015 0.00279 0.00144 0.01300 -0.00173 202 4ZZ 0.01443 -0.00760 0.00230 -0.00218 0.00144 203 4XY -0.01132 0.00893 -0.00257 -0.00767 -0.00202 204 4XZ 0.01265 -0.00443 -0.00324 -0.01840 0.00044 205 4YZ 0.00026 0.00529 -0.00592 -0.02166 0.00014 206 19 C 1S 0.03964 -0.04088 0.00700 0.00627 -0.00905 207 2S -0.02808 0.02410 -0.00669 0.02002 0.03722 208 2PX 0.02411 0.03166 -0.03213 -0.05298 0.02443 209 2PY 0.08624 -0.03702 -0.03073 -0.13045 0.00965 210 2PZ -0.06107 0.06166 -0.01854 0.01816 0.03873 211 3S -1.47802 1.42536 -0.27602 -0.95420 -0.04471 212 3PX -0.04322 0.04630 -0.30202 -0.41052 -0.20834 213 3PY 0.30147 -0.50746 -0.26277 -0.85959 -0.23669 214 3PZ -0.42747 0.43647 -0.12933 0.16707 0.02167 215 4XX 0.00205 -0.00008 -0.00076 0.00011 0.00453 216 4YY 0.00141 -0.00666 -0.00074 0.01803 -0.00420 217 4ZZ -0.00824 0.01130 -0.00092 -0.01817 -0.00074 218 4XY 0.00907 -0.00680 0.00148 0.01986 0.00031 219 4XZ -0.00058 0.00871 0.00004 -0.01449 0.00067 220 4YZ 0.01395 0.00044 0.00349 0.01268 0.00530 221 20 C 1S -0.00449 -0.01253 -0.01161 0.02541 -0.00707 222 2S -0.00623 -0.03182 0.00837 -0.04253 0.02286 223 2PX -0.09991 0.00209 -0.01953 -0.11470 0.00548 224 2PY -0.04932 0.00785 0.00238 0.08053 -0.05453 225 2PZ -0.02480 0.05905 -0.01545 -0.12233 0.00942 226 3S -0.24981 0.74308 0.38053 -0.67946 0.59130 227 3PX -0.76869 0.62985 -0.23584 -1.19815 -0.04530 228 3PY -0.49756 -0.05952 -0.09509 0.14675 -0.60439 229 3PZ -0.30514 0.84696 -0.29867 -1.65290 0.24662 230 4XX 0.00328 0.00414 -0.00120 -0.00609 0.00742 231 4YY -0.00854 0.00309 0.00172 -0.01369 -0.00207 232 4ZZ -0.00134 -0.01195 -0.00111 0.00868 0.00689 233 4XY -0.01313 0.01492 -0.00005 -0.01156 0.01120 234 4XZ 0.01095 -0.00548 -0.00621 -0.00423 0.00827 235 4YZ 0.00339 0.00923 -0.00646 -0.01042 0.00667 236 21 H 1S -0.05889 0.02781 0.01248 -0.02569 0.00838 237 2S 0.51074 -0.04376 -0.05663 -0.13102 0.43418 238 22 H 1S -0.06357 0.05403 -0.00626 -0.11524 -0.01286 239 2S -0.19645 0.26725 -0.03843 0.41178 0.07321 240 23 H 1S 0.00670 0.01809 -0.02683 -0.12220 -0.00580 241 2S -0.22985 -0.32078 0.10438 0.10867 -0.21762 242 24 H 1S 0.07515 -0.03757 -0.02096 -0.03873 -0.01359 243 2S 0.33726 -0.01941 -0.00963 -0.16016 0.22471 244 25 H 1S 0.07774 -0.02617 0.01354 0.04349 0.00886 245 2S -0.07313 0.70572 0.02052 0.17689 0.25140 246 26 O 1S -0.02270 0.00204 0.00681 0.00467 0.00424 247 2S 0.03841 -0.03464 0.02997 0.06323 -0.01242 248 2PX 0.01010 -0.00443 0.02117 -0.06994 -0.02512 249 2PY 0.04255 0.00919 -0.05869 -0.06081 -0.03436 250 2PZ -0.05984 0.03268 0.00222 -0.06912 -0.00949 251 3S 0.22879 0.05728 -0.25078 -0.41490 -0.05208 252 3PX 0.04159 0.00180 0.03230 -0.04916 -0.12903 253 3PY 0.07595 -0.01908 -0.09529 -0.14515 -0.09224 254 3PZ -0.18139 0.02415 0.09802 0.05248 0.03356 255 4XX 0.00800 -0.00339 0.00536 0.02172 -0.00413 256 4YY -0.00160 -0.00727 0.01165 0.02257 -0.00248 257 4ZZ -0.02410 -0.01610 0.01564 0.01008 0.00275 258 4XY 0.00454 0.00107 0.00287 -0.00147 0.01046 259 4XZ 0.00354 0.00049 0.00777 -0.01170 -0.00033 260 4YZ 0.00458 0.00355 -0.00659 0.00367 -0.00697 261 27 H 1S -0.03267 -0.01396 -0.01879 0.01691 0.00294 262 2S -0.09609 -0.14239 0.06506 0.00922 0.08036 263 28 H 1S -0.03698 -0.02628 -0.00687 -0.01078 0.02002 264 2S 0.06758 -0.20010 0.25581 0.16515 -0.05710 86 87 88 89 90 V V V V V Eigenvalues -- 0.53839 0.56479 0.59253 0.67466 0.69038 1 1 C 1S 0.01240 -0.08914 -0.00262 -0.02592 -0.00666 2 2S -0.00868 0.10480 0.04135 0.09198 -0.04282 3 2PX -0.15015 -0.06353 -0.11909 -0.05578 -0.27101 4 2PY -0.02096 -0.23991 -0.09727 -0.15483 0.09007 5 2PZ -0.11136 0.05490 -0.08375 0.18753 -0.31927 6 3S 0.31278 2.39196 -0.35179 0.05467 0.10621 7 3PX -0.45964 0.38550 -0.55613 0.09366 0.60932 8 3PY 0.27344 -1.10988 -1.37280 0.26937 -0.33479 9 3PZ -1.01306 -0.25446 0.98192 -0.10882 0.16490 10 4XX -0.00164 0.00818 -0.01073 0.00766 -0.02857 11 4YY 0.00303 0.00344 0.00237 0.00017 0.03253 12 4ZZ -0.00775 0.01480 0.02709 -0.00896 -0.00487 13 4XY 0.00160 -0.00942 0.01948 -0.02605 -0.01484 14 4XZ -0.01260 -0.00877 -0.01563 0.00987 0.01265 15 4YZ -0.00983 0.00052 -0.02905 0.00744 -0.01326 16 2 C 1S -0.03031 -0.01126 0.05218 0.00489 -0.01508 17 2S -0.00146 0.02309 -0.06667 -0.32260 -0.06720 18 2PX -0.04103 0.07796 -0.38164 0.14394 0.16871 19 2PY 0.06083 -0.05380 0.21906 0.19983 0.10728 20 2PZ 0.02052 -0.10840 0.09548 0.13922 -0.12064 21 3S 0.78774 0.72553 -1.20042 0.37688 0.39970 22 3PX 0.48278 1.17196 -2.16599 -0.11292 0.03631 23 3PY 0.82132 1.43561 1.98690 0.01229 0.54390 24 3PZ -0.47802 -1.26811 0.49402 -0.23543 -0.38100 25 4XX 0.00552 0.00160 0.01530 -0.04776 -0.01295 26 4YY 0.00306 0.01641 0.00402 -0.00655 -0.00352 27 4ZZ -0.00347 0.00955 -0.01235 -0.01404 -0.01207 28 4XY -0.00421 0.01610 -0.01821 0.02419 0.01421 29 4XZ 0.00421 0.00773 -0.00291 0.02659 0.01835 30 4YZ -0.00051 -0.02033 0.00197 -0.00920 0.01337 31 3 C 1S 0.00230 0.02310 -0.10383 -0.02105 0.00160 32 2S -0.01405 -0.04059 0.06336 -0.13699 -0.16864 33 2PX -0.04617 0.01970 -0.15922 0.12100 0.11968 34 2PY -0.07434 -0.14513 0.11868 0.02599 0.00135 35 2PZ 0.02511 0.03895 0.01714 -0.00740 -0.02216 36 3S -0.08443 -0.01546 2.70275 0.41192 0.41094 37 3PX -0.74302 -0.74685 -1.88549 0.13919 0.65037 38 3PY -1.18164 -1.95446 1.72848 0.32748 0.73361 39 3PZ 0.62484 0.91159 0.30717 -0.12495 -0.40370 40 4XX -0.02125 -0.01746 -0.01931 -0.01701 0.00310 41 4YY 0.01192 0.02862 -0.01602 -0.04911 -0.04292 42 4ZZ -0.00361 -0.00907 0.01955 0.00811 -0.00252 43 4XY -0.00286 -0.00941 0.02731 0.01444 -0.01124 44 4XZ 0.01257 0.00954 0.01288 0.00448 0.00103 45 4YZ 0.00140 -0.00234 0.00300 0.01068 0.01120 46 4 C 1S -0.02334 -0.02405 0.00527 -0.00670 -0.02065 47 2S -0.03788 -0.05002 -0.03722 -0.04127 -0.04494 48 2PX 0.09008 0.09513 0.10748 0.00957 0.02696 49 2PY -0.03458 -0.04260 -0.01115 -0.00161 0.00074 50 2PZ -0.03740 -0.04926 -0.02985 0.04646 -0.00616 51 3S 1.40162 1.74436 0.37895 0.26836 0.66998 52 3PX -0.61591 -0.80044 0.35030 0.80471 1.65784 53 3PY -0.21604 -0.27378 -0.55132 -0.22329 -0.56853 54 3PZ 0.30848 0.36218 0.00745 -0.31790 -0.58967 55 4XX 0.00664 0.00642 0.02589 0.00183 -0.02113 56 4YY 0.00223 0.00579 -0.03251 -0.01777 0.00005 57 4ZZ -0.00358 -0.00432 0.00173 0.00762 0.00716 58 4XY -0.00877 -0.01328 -0.01026 0.01904 0.02615 59 4XZ -0.00374 -0.00475 -0.00649 -0.00045 0.00761 60 4YZ 0.00259 0.00010 0.01570 -0.00284 -0.00978 61 5 C 1S 0.01613 0.02967 -0.01072 0.00707 0.01558 62 2S -0.00632 -0.01318 0.07532 -0.01584 -0.07397 63 2PX -0.01345 0.00003 -0.09882 0.05467 0.13199 64 2PY 0.07013 0.12204 -0.02019 -0.14112 -0.17784 65 2PZ -0.00904 -0.01961 0.04676 0.01343 -0.01149 66 3S -0.33595 -0.74942 -0.43596 -0.19907 -0.29390 67 3PX 0.32310 0.55693 -0.03443 0.31074 0.85327 68 3PY -0.02421 0.29200 -0.45144 -0.53047 -1.47838 69 3PZ -0.13140 -0.27448 0.09836 -0.02679 -0.04237 70 4XX 0.00755 0.00851 -0.01907 -0.01279 -0.00302 71 4YY -0.00970 -0.01539 0.02473 0.01356 -0.00312 72 4ZZ 0.00017 0.00059 0.00054 -0.00035 -0.00289 73 4XY -0.00979 -0.00525 -0.02232 0.00007 0.00957 74 4XZ -0.00096 -0.00272 0.01815 0.00399 -0.00287 75 4YZ 0.00625 0.00618 0.00626 -0.00246 -0.00476 76 6 C 1S 0.00368 -0.01648 0.02467 -0.00026 -0.01297 77 2S -0.01143 0.00695 0.03167 0.00201 -0.01553 78 2PX -0.02956 -0.08501 0.01081 0.02741 -0.02148 79 2PY -0.06043 -0.07670 0.04476 0.07174 -0.01085 80 2PZ 0.02494 0.03569 -0.00521 -0.00368 0.01655 81 3S -0.03750 0.50932 -1.09563 -0.06711 0.26465 82 3PX 0.22234 0.04798 0.54053 -0.42448 -1.23202 83 3PY 0.24987 0.65437 -0.01909 -0.53141 -1.25042 84 3PZ -0.14370 -0.17991 -0.22112 0.28563 0.77215 85 4XX 0.01172 0.01360 -0.00524 -0.01106 -0.01521 86 4YY -0.01234 -0.01503 0.00058 0.01061 0.00734 87 4ZZ 0.00050 0.00315 0.00593 0.00017 0.00013 88 4XY 0.00246 0.00073 0.02174 0.00894 -0.00045 89 4XZ -0.00632 -0.00870 -0.00014 0.00688 0.01015 90 4YZ 0.00211 0.00355 -0.00908 -0.00598 -0.00047 91 7 C 1S -0.01773 -0.00605 -0.01211 0.00292 0.01060 92 2S 0.00559 -0.01975 0.09527 -0.01134 -0.06950 93 2PX 0.07434 0.11443 0.02277 -0.09758 -0.16170 94 2PY -0.00105 -0.04675 0.10604 0.04532 -0.00499 95 2PZ -0.03654 -0.02774 -0.02561 0.03141 0.07400 96 3S 0.38232 0.18726 -0.49179 -0.16829 -0.20428 97 3PX -0.03882 -0.15057 1.11764 -0.27217 -1.49924 98 3PY 0.28813 0.30133 -0.21382 -0.03237 0.29304 99 3PZ -0.04263 0.04523 -0.44590 0.12704 0.59136 100 4XX 0.00024 0.00494 0.01838 0.00275 0.00217 101 4YY 0.00032 -0.00333 -0.02219 -0.00878 -0.00813 102 4ZZ 0.00157 -0.00024 0.00952 0.00285 -0.00337 103 4XY 0.01051 0.02101 -0.00883 -0.01428 -0.00831 104 4XZ -0.00393 -0.00539 -0.00036 -0.00280 -0.00376 105 4YZ -0.00291 -0.01149 0.00908 0.01635 0.00785 106 8 C 1S 0.03091 0.02002 0.00404 0.00416 0.00390 107 2S 0.00576 0.08286 -0.05322 -0.13883 -0.11109 108 2PX -0.01797 -0.12806 0.07242 0.12113 0.02933 109 2PY 0.08217 0.11122 -0.08872 -0.11748 -0.08519 110 2PZ 0.01266 -0.01881 -0.03740 0.12287 0.08244 111 3S -1.49577 -1.85077 0.97403 0.18893 -0.14418 112 3PX 0.00351 -0.25875 1.09532 -0.27376 -0.89842 113 3PY -0.68308 -1.25903 -0.52164 0.46271 1.30456 114 3PZ 0.11757 0.30154 -0.30150 -0.09834 0.02096 115 4XX -0.00206 -0.00084 -0.01425 -0.01372 -0.01229 116 4YY -0.00850 -0.00833 0.01877 -0.00516 -0.00584 117 4ZZ 0.00353 0.00937 -0.00164 -0.01058 -0.00924 118 4XY 0.01226 0.02485 -0.02589 -0.01510 -0.00200 119 4XZ 0.00147 -0.00057 0.00684 0.01308 0.00649 120 4YZ -0.00353 -0.00279 0.00414 0.00650 0.00422 121 9 H 1S 0.01264 0.01787 -0.04504 -0.09549 -0.04868 122 2S 0.26084 -0.35568 0.61820 0.03594 -0.37916 123 10 H 1S -0.00195 0.02007 -0.10277 -0.06637 -0.02712 124 2S 0.05878 0.06027 0.23885 0.02156 0.02410 125 11 H 1S 0.00213 0.01074 -0.09949 -0.05545 -0.02481 126 2S -0.02684 0.14988 -0.10874 0.05434 0.11824 127 12 H 1S 0.00369 0.02171 -0.12704 -0.03399 0.03933 128 2S -0.11247 -0.29881 0.37484 -0.00494 -0.16584 129 13 H 1S -0.00054 0.00626 -0.10861 -0.04845 0.01573 130 2S -0.06621 -0.10988 0.35372 0.00268 -0.03500 131 14 O 1S 0.04319 0.05089 0.02315 0.00978 0.02695 132 2S -0.03114 0.00870 0.02134 -0.02037 0.02768 133 2PX -0.01012 -0.07627 0.05424 0.06797 -0.01132 134 2PY 0.02579 0.02580 -0.04090 -0.02229 0.03097 135 2PZ -0.06489 0.01108 -0.05500 0.01222 -0.06237 136 3S -0.96135 -1.49485 -0.76372 -0.22786 -0.72173 137 3PX -0.02565 -0.20804 0.37278 -0.00687 -0.04369 138 3PY 0.33683 0.50257 0.06845 0.11234 0.29532 139 3PZ -0.26010 -0.21473 -0.32520 -0.05569 -0.13942 140 4XX 0.02261 0.03887 0.01911 0.00390 0.00650 141 4YY -0.00211 0.00989 0.01073 -0.02355 0.03324 142 4ZZ 0.01965 0.02499 0.02187 0.01470 0.03449 143 4XY 0.00461 0.00536 0.00687 -0.00179 -0.00870 144 4XZ -0.00549 0.00223 -0.00989 0.01467 0.01193 145 4YZ 0.01308 0.02893 0.00696 0.00494 0.00511 146 15 C 1S -0.02308 0.06363 0.02545 0.01295 0.02322 147 2S -0.00372 0.01647 -0.06257 -0.25197 -0.17908 148 2PX -0.05990 -0.09195 -0.01786 -0.14215 -0.17490 149 2PY -0.22059 -0.01910 -0.04972 0.02181 0.11083 150 2PZ 0.04955 -0.11496 -0.12169 0.13513 0.06679 151 3S 1.06981 -1.45078 -0.19080 0.10670 -0.08754 152 3PX -0.51941 -0.77074 -0.42295 0.16614 0.04764 153 3PY -1.83215 0.35979 0.62004 -1.29046 1.10278 154 3PZ 0.68979 -1.03316 -1.21265 1.08552 -0.79677 155 4XX 0.00219 0.00537 0.00012 0.00710 0.02847 156 4YY 0.00183 0.00817 -0.01800 -0.00039 -0.03490 157 4ZZ -0.00280 0.00959 0.01876 -0.05891 -0.01516 158 4XY 0.01060 0.01379 0.00290 0.02611 0.00712 159 4XZ 0.00347 0.02795 0.02152 -0.02798 0.03507 160 4YZ 0.00979 -0.00776 0.00352 0.01662 0.01540 161 16 C 1S 0.04022 -0.02655 -0.01042 -0.03087 0.00738 162 2S -0.01024 0.09644 -0.06441 -0.06243 -0.12315 163 2PX 0.03119 0.06802 -0.04789 -0.04381 -0.02661 164 2PY -0.02382 0.06755 -0.03569 0.09963 -0.04360 165 2PZ 0.09606 -0.03304 0.00728 0.09072 0.04748 166 3S -1.82368 0.79100 0.90368 0.40860 0.17429 167 3PX -0.48214 0.31260 0.24071 -1.21947 0.96337 168 3PY -1.65926 0.63856 0.49368 -1.56736 1.33500 169 3PZ 0.77343 -0.13433 0.04880 -0.47937 0.01208 170 4XX -0.01325 0.00586 0.00140 -0.02191 -0.00860 171 4YY 0.00761 0.00150 -0.00715 -0.01367 -0.00448 172 4ZZ -0.00837 0.02540 0.00121 -0.00161 -0.00390 173 4XY -0.00474 -0.00492 0.00274 -0.04984 -0.01167 174 4XZ -0.02189 0.01823 0.00308 -0.01561 0.01841 175 4YZ -0.01382 -0.01296 -0.00105 -0.01727 -0.00154 176 17 C 1S 0.00460 0.01100 0.01627 0.01412 0.00777 177 2S -0.01285 -0.01869 -0.03506 -0.12227 -0.08813 178 2PX -0.09229 0.00722 0.01804 -0.23642 0.09737 179 2PY -0.00396 -0.06245 -0.03329 -0.08516 -0.05515 180 2PZ -0.11069 0.04508 0.05567 -0.17333 0.16366 181 3S -0.39590 0.11520 -0.33336 -0.14992 -0.31413 182 3PX 0.24751 -0.12939 0.05862 -1.11619 0.90831 183 3PY 0.25726 -0.40913 -0.33401 -0.27836 -0.10326 184 3PZ 0.04578 0.18885 0.23509 -1.15935 1.26697 185 4XX -0.00617 -0.00605 -0.00441 -0.01889 -0.00544 186 4YY -0.01595 0.02000 0.00296 0.01009 0.00202 187 4ZZ 0.02011 -0.01638 -0.00850 -0.00645 -0.01790 188 4XY -0.02139 0.01196 0.00416 -0.00224 0.00792 189 4XZ 0.01201 -0.01524 -0.00491 -0.01029 -0.01093 190 4YZ -0.01115 -0.00859 0.00419 -0.01240 0.00260 191 18 C 1S -0.01099 -0.02777 -0.01497 -0.01072 -0.01454 192 2S 0.02614 0.00437 -0.00447 -0.05825 -0.07634 193 2PX 0.04140 0.00840 -0.00615 -0.03420 -0.03563 194 2PY -0.09111 0.09711 0.05867 -0.02158 -0.00091 195 2PZ 0.13897 -0.07326 -0.03033 0.02558 -0.03541 196 3S -0.04656 1.08760 0.46411 0.43135 0.59884 197 3PX 0.29317 0.30754 0.23126 0.10342 0.39186 198 3PY 0.19722 0.59153 -0.06670 1.74655 -1.14322 199 3PZ 0.24498 -0.08988 0.39905 -1.26569 1.35551 200 4XX -0.00528 0.00669 0.00100 0.00449 0.00230 201 4YY -0.00868 -0.00030 0.00278 -0.01998 -0.00138 202 4ZZ 0.01570 -0.00415 -0.00418 0.00588 -0.01552 203 4XY -0.01860 0.01044 0.00568 -0.00786 0.01015 204 4XZ 0.00334 0.00316 -0.00370 0.00958 -0.00547 205 4YZ -0.01475 0.01020 0.00162 0.00611 0.01114 206 19 C 1S 0.04890 0.00246 0.00627 0.00738 0.01674 207 2S -0.05189 -0.03430 -0.04290 -0.07779 -0.13775 208 2PX -0.04655 0.00135 -0.06313 0.11225 -0.19958 209 2PY 0.01264 0.03326 -0.05279 0.21901 -0.13144 210 2PZ -0.08327 -0.04548 -0.06519 0.01262 -0.11395 211 3S -1.10892 0.16246 -0.07303 -0.22663 -0.23424 212 3PX -0.96607 0.86234 0.09009 0.99073 -0.88873 213 3PY -0.49291 1.06288 0.04819 1.47242 -0.92517 214 3PZ -0.85069 0.26191 -0.01392 0.06366 -0.33428 215 4XX 0.00584 -0.01367 -0.01149 -0.00618 -0.01949 216 4YY -0.01429 0.00969 0.00531 -0.01333 -0.00858 217 4ZZ 0.00261 0.00232 0.00305 0.00096 0.00818 218 4XY 0.00305 -0.00222 -0.00341 -0.00328 -0.01214 219 4XZ 0.01303 -0.00559 -0.00198 0.00259 0.00287 220 4YZ 0.01616 -0.01472 -0.00967 0.01362 -0.01240 221 20 C 1S -0.05910 0.01245 0.00238 0.00668 -0.03187 222 2S 0.01158 0.06666 0.03927 -0.20762 -0.04974 223 2PX -0.15159 0.09429 0.04396 -0.15987 -0.04823 224 2PY -0.04614 0.08773 0.02678 0.12016 0.09332 225 2PZ -0.09256 0.11543 0.08332 -0.02821 0.08578 226 3S 2.26069 -1.46455 -0.90457 0.31386 0.56450 227 3PX -0.32524 0.54076 -0.39228 1.42140 -1.00988 228 3PY -0.34065 0.67241 0.39573 0.08447 -0.39808 229 3PZ -0.09506 0.03273 -0.63939 1.48029 -1.20222 230 4XX -0.00388 -0.00338 -0.00471 -0.00115 -0.02505 231 4YY 0.01107 0.00209 0.01155 -0.02709 0.00500 232 4ZZ -0.00200 -0.00017 -0.01375 -0.00728 -0.00619 233 4XY -0.00205 -0.00116 -0.00895 0.01249 -0.00144 234 4XZ -0.00533 -0.00807 -0.01600 -0.00070 -0.04756 235 4YZ -0.01103 -0.00849 -0.01279 0.01036 -0.02681 236 21 H 1S 0.02392 -0.02266 0.01931 -0.04865 0.05196 237 2S -0.23253 -0.50278 -0.28174 -0.17705 -0.09026 238 22 H 1S 0.00374 0.03655 0.02859 -0.00930 0.09738 239 2S -0.41123 -0.01040 -0.07189 -0.05999 -0.21913 240 23 H 1S -0.06703 0.06673 0.01177 0.01758 0.03788 241 2S 0.33474 0.14100 0.14114 0.07447 0.10176 242 24 H 1S -0.07032 0.10525 0.02195 0.07931 0.03462 243 2S 0.22941 -0.38151 -0.18009 -0.21274 -0.14606 244 25 H 1S -0.05082 0.09203 -0.00240 0.02731 0.04967 245 2S -0.60749 -0.00805 -0.20397 -0.03360 0.00634 246 26 O 1S -0.02611 0.02992 0.01185 0.01690 -0.00598 247 2S 0.05682 -0.00960 0.02044 -0.08031 0.00856 248 2PX 0.01821 0.05143 0.02574 -0.03798 -0.02855 249 2PY 0.02423 -0.04788 0.02305 -0.07947 0.11047 250 2PZ -0.11134 0.08906 0.02125 0.06002 -0.05695 251 3S 0.42894 -0.64772 -0.52058 0.02413 -0.13567 252 3PX 0.02748 0.13542 0.19966 0.07274 -0.05811 253 3PY 0.23530 -0.10252 -0.03618 -0.03064 0.01621 254 3PZ -0.38838 0.43902 0.24923 0.03851 -0.00211 255 4XX 0.00722 0.00718 0.02022 -0.02110 0.00855 256 4YY -0.00856 0.00782 0.01083 -0.02658 -0.00708 257 4ZZ 0.01270 0.02250 -0.01549 0.02221 -0.02841 258 4XY -0.00998 -0.00020 -0.00293 -0.01796 0.01449 259 4XZ 0.00985 0.00944 0.00889 -0.00315 -0.01229 260 4YZ -0.00108 -0.00569 0.01815 -0.01221 0.04484 261 27 H 1S 0.03056 -0.03627 -0.05040 0.07008 0.03800 262 2S 0.39358 -0.03095 -0.16550 0.05297 -0.04821 263 28 H 1S -0.00016 0.01225 -0.07214 -0.02168 0.09821 264 2S -0.05190 0.29246 0.41531 -0.17060 0.11439 91 92 93 94 95 V V V V V Eigenvalues -- 0.71712 0.73619 0.74457 0.74837 0.75835 1 1 C 1S 0.00740 0.00478 -0.00567 0.01390 0.00314 2 2S 0.06708 0.02333 0.01791 -0.06613 0.03023 3 2PX 0.37377 -0.00453 0.10084 -0.13095 -0.19016 4 2PY 0.07094 -0.01385 -0.01166 -0.00668 -0.03211 5 2PZ -0.06172 -0.13116 0.06693 -0.07291 0.01839 6 3S -0.14163 -0.20324 0.26609 0.36002 -0.39166 7 3PX -0.67146 0.07289 -0.40597 0.32771 0.71849 8 3PY 0.07287 0.02832 0.00837 0.11553 0.18408 9 3PZ 0.25219 0.50511 -0.48215 -0.06500 0.08568 10 4XX 0.01267 0.00365 0.00080 0.02136 -0.00368 11 4YY 0.00233 -0.00813 0.01342 -0.00508 0.00058 12 4ZZ 0.00126 0.01430 -0.01942 -0.00668 0.01025 13 4XY 0.01831 -0.00163 0.01397 -0.01345 0.00859 14 4XZ 0.01103 0.01683 -0.01935 0.00273 0.00509 15 4YZ 0.01023 0.00663 -0.01309 0.00849 -0.00412 16 2 C 1S -0.00169 0.02944 0.00862 0.01151 0.00341 17 2S -0.01650 -0.25018 0.01831 -0.06109 0.10110 18 2PX 0.14978 -0.12981 0.02272 -0.04221 0.02166 19 2PY 0.18606 -0.03256 0.15808 -0.13358 -0.11030 20 2PZ 0.16400 -0.06507 0.21481 0.12425 -0.01852 21 3S 0.65232 0.43939 0.18409 -0.36559 -0.55887 22 3PX -0.19219 0.02567 0.03649 0.54862 -0.08060 23 3PY -0.95709 -0.10426 -0.18310 0.00571 0.41555 24 3PZ 0.13783 0.12385 -0.12342 -0.25455 -0.14693 25 4XX 0.05001 -0.01363 0.02019 -0.02629 -0.01524 26 4YY -0.04139 -0.00454 0.00611 0.01962 0.02824 27 4ZZ -0.00050 -0.00683 -0.00231 -0.00686 0.00069 28 4XY -0.00881 -0.00919 -0.02095 0.00896 -0.01227 29 4XZ -0.04298 -0.00448 -0.01108 0.01998 0.01794 30 4YZ 0.01459 -0.00644 0.00508 -0.02359 -0.00598 31 3 C 1S -0.00527 -0.05126 -0.04640 0.01598 0.01531 32 2S 0.17794 -0.34299 -0.16133 -0.04070 0.07484 33 2PX 0.06125 -0.17734 -0.02661 0.05477 -0.01888 34 2PY 0.07004 0.02859 0.15196 -0.07744 -0.00904 35 2PZ 0.14556 -0.07292 0.20094 0.11970 0.20548 36 3S -0.30528 1.45726 1.32116 -0.68066 -0.17513 37 3PX 1.11790 0.19618 0.88048 -1.38596 -0.75231 38 3PY 0.42505 -1.22191 -0.38303 -1.43370 -0.29056 39 3PZ -0.62565 0.25274 -0.42115 0.81988 0.27301 40 4XX -0.02468 -0.04782 -0.02061 -0.00774 0.04497 41 4YY 0.05341 -0.05996 -0.02650 -0.01162 -0.00233 42 4ZZ 0.00215 0.00865 0.00241 0.00112 -0.00502 43 4XY 0.00168 -0.01011 -0.01309 0.00143 -0.00517 44 4XZ 0.02017 0.03385 0.02691 -0.00230 -0.01968 45 4YZ -0.02153 0.02809 0.01747 -0.00148 -0.00113 46 4 C 1S 0.02866 0.02912 0.02689 -0.00953 -0.02100 47 2S 0.07312 -0.37635 -0.27730 -0.00630 0.06543 48 2PX 0.18483 0.01951 0.16838 -0.01593 -0.00284 49 2PY -0.01577 0.13374 0.17917 0.00017 0.05966 50 2PZ 0.05295 -0.13530 0.14584 0.17959 0.31525 51 3S -0.85705 -0.76544 -0.75229 0.60188 0.35448 52 3PX 0.38407 -0.83528 0.37542 -1.88797 -0.60233 53 3PY 0.31726 0.96714 0.60258 0.03357 -0.25270 54 3PZ -0.34487 0.21529 -0.48936 0.70191 0.06775 55 4XX 0.01963 -0.04722 -0.04280 0.01828 -0.01061 56 4YY 0.01388 -0.01740 -0.01059 -0.01078 0.00220 57 4ZZ -0.00506 -0.01530 -0.00628 -0.00081 0.00743 58 4XY -0.02973 0.00801 0.00419 -0.00722 0.00529 59 4XZ -0.01471 0.02309 0.01709 -0.00153 0.01453 60 4YZ -0.00252 0.00582 -0.01213 0.00176 -0.01524 61 5 C 1S -0.01887 -0.02836 -0.02952 0.01885 0.01265 62 2S 0.11218 -0.28945 -0.24102 0.02628 -0.00423 63 2PX -0.10237 0.01312 0.12695 0.00826 0.17808 64 2PY 0.12090 0.09483 0.05125 0.14318 0.01308 65 2PZ 0.07841 -0.10794 0.11874 0.14565 0.25805 66 3S 0.48946 1.32580 1.33522 -0.73484 -0.31517 67 3PX 0.02638 -1.04677 -0.57751 -0.35515 -0.20192 68 3PY -0.90271 0.62722 -0.77317 2.05246 0.68941 69 3PZ 0.15403 0.35297 0.28359 -0.42832 -0.30529 70 4XX 0.01389 -0.01057 -0.01446 -0.01274 -0.00676 71 4YY -0.00261 -0.04568 -0.04214 0.01098 0.00339 72 4ZZ 0.00763 0.00093 0.01069 0.00291 0.00827 73 4XY -0.01368 0.01695 0.01401 -0.00556 0.00263 74 4XZ -0.00471 0.00661 -0.00543 -0.00146 -0.01882 75 4YZ 0.00834 0.00639 0.00496 -0.00301 -0.00931 76 6 C 1S 0.01057 0.02391 0.02464 -0.02020 -0.00249 77 2S 0.06337 -0.31239 -0.27322 0.05872 0.01972 78 2PX -0.11549 0.10328 0.14535 0.08357 0.20595 79 2PY -0.13282 -0.07594 -0.07605 0.14504 0.14869 80 2PZ 0.14404 -0.10630 0.14921 0.13941 0.22928 81 3S -0.42005 -0.78821 -0.88044 0.59819 0.18832 82 3PX -0.04604 1.15270 0.28678 0.76671 0.05820 83 3PY -0.56174 0.35860 -0.83278 1.85764 0.44178 84 3PZ 0.09394 -0.50790 -0.07839 -0.84733 -0.37012 85 4XX 0.01461 -0.01780 -0.02401 -0.00200 -0.00513 86 4YY -0.00365 -0.04170 -0.03160 0.00330 0.01023 87 4ZZ 0.00152 -0.01071 -0.00876 0.00992 0.00271 88 4XY 0.00799 -0.02698 -0.02504 0.01290 -0.00727 89 4XZ -0.00820 0.01435 0.00976 -0.00590 -0.01254 90 4YZ -0.00206 0.01861 0.02266 0.00052 0.01207 91 7 C 1S 0.00444 -0.02477 -0.02813 0.02320 -0.00653 92 2S 0.02170 -0.29667 -0.24725 0.00172 0.07314 93 2PX 0.15596 0.03859 0.03122 0.19684 0.04479 94 2PY -0.01171 -0.11601 -0.03983 -0.00769 0.08567 95 2PZ -0.00295 -0.07309 0.18071 0.11674 0.28266 96 3S 0.34712 1.25603 1.30209 -0.63625 -0.22535 97 3PX -0.86116 1.15013 -0.28350 1.81201 0.54526 98 3PY 0.36168 0.48906 0.87035 -0.88182 -0.24937 99 3PZ 0.27220 -0.53860 -0.19293 -0.72461 -0.42054 100 4XX 0.01761 -0.04374 -0.03905 0.01057 -0.00637 101 4YY -0.00114 -0.00829 -0.00315 0.00266 0.01627 102 4ZZ 0.00124 -0.00339 -0.00465 -0.00663 -0.00701 103 4XY 0.00924 0.00698 0.01411 -0.00420 0.00619 104 4XZ -0.02173 0.02557 0.01673 -0.00906 0.01191 105 4YZ 0.00605 -0.00670 0.00748 0.01363 0.00537 106 8 C 1S -0.01198 0.01934 0.02658 -0.02626 0.01257 107 2S 0.10098 -0.37555 -0.26575 0.02711 0.09452 108 2PX 0.07752 -0.15183 -0.04292 0.18672 0.03141 109 2PY 0.19331 -0.18186 -0.01797 -0.07485 -0.00347 110 2PZ 0.18090 -0.05131 0.25605 0.20027 0.17041 111 3S -0.14694 -0.45786 -0.82974 0.66849 -0.09253 112 3PX -0.60926 -0.06699 -0.84312 0.94795 0.42286 113 3PY 0.50404 -1.14306 0.04571 -1.85933 -0.44648 114 3PZ -0.06404 0.38227 0.19298 -0.22938 -0.19751 115 4XX -0.01086 -0.02828 -0.00478 -0.00630 0.03349 116 4YY 0.01167 -0.05758 -0.04275 0.00187 0.01656 117 4ZZ -0.00097 0.00423 -0.01168 0.00074 -0.00767 118 4XY 0.01876 0.02297 0.01976 0.00939 -0.00988 119 4XZ 0.02065 0.00042 0.00848 0.01411 -0.01317 120 4YZ -0.00259 0.00112 0.00148 -0.00343 -0.00396 121 9 H 1S -0.06657 0.05471 0.07672 -0.06401 0.09434 122 2S -0.13571 -0.34749 -0.46103 0.03772 0.20518 123 10 H 1S -0.00799 0.01334 0.00443 0.00520 0.03591 124 2S 0.08564 0.10391 0.18661 -0.15630 -0.03029 125 11 H 1S -0.00354 0.06035 0.06640 -0.06439 0.04563 126 2S -0.07855 -0.42865 -0.42969 0.24303 0.03806 127 12 H 1S -0.02913 -0.00763 0.00648 -0.02371 0.06489 128 2S 0.14981 0.17227 0.18460 -0.15623 -0.09407 129 13 H 1S 0.05964 0.04563 0.08001 -0.06466 0.00298 130 2S -0.01575 -0.46076 -0.41816 0.11155 0.08913 131 14 O 1S -0.01128 -0.01277 0.00174 -0.01568 0.00179 132 2S -0.01127 0.08100 -0.03084 0.05231 0.00561 133 2PX -0.06027 -0.03110 0.05372 -0.07197 0.01945 134 2PY 0.07459 -0.03769 0.02337 -0.07098 -0.04006 135 2PZ 0.01312 0.03585 -0.00276 0.06024 0.00324 136 3S 0.45577 0.01447 0.05612 0.08859 -0.13828 137 3PX 0.00634 0.02445 0.00658 -0.06468 0.03755 138 3PY -0.08640 -0.09676 0.00472 -0.12883 0.01033 139 3PZ 0.11652 0.03348 -0.01070 0.08699 -0.02736 140 4XX -0.01235 0.02080 -0.00496 0.01280 -0.00251 141 4YY -0.00043 0.01863 -0.02282 -0.01364 -0.00523 142 4ZZ -0.00040 0.01376 0.00505 0.00838 0.00382 143 4XY -0.01681 0.00196 -0.00443 0.00294 -0.00012 144 4XZ 0.00159 -0.00634 -0.00511 -0.00652 -0.00551 145 4YZ -0.02643 0.01039 -0.01040 0.01297 0.01297 146 15 C 1S -0.04343 -0.01194 -0.00457 -0.00429 0.02801 147 2S -0.32723 -0.11254 0.13182 0.04704 -0.05256 148 2PX 0.16249 0.11786 -0.13215 -0.09200 0.17128 149 2PY 0.04559 0.02762 -0.08813 0.14001 0.01428 150 2PZ 0.02229 0.02185 0.01094 0.13163 -0.04982 151 3S 1.38754 0.60490 -0.02260 0.28601 -0.81114 152 3PX -0.75679 -0.09517 -0.28444 -0.04624 0.69678 153 3PY -0.49416 0.46613 -1.08928 0.46001 0.68159 154 3PZ -0.54182 -0.54403 0.42415 -0.64879 0.61326 155 4XX -0.00587 0.00446 -0.00352 0.01088 -0.00135 156 4YY -0.04593 -0.00129 -0.00274 0.00761 0.00367 157 4ZZ -0.03483 -0.01809 0.02271 0.00265 -0.00040 158 4XY -0.02678 0.01921 -0.02183 0.01062 0.01589 159 4XZ -0.03923 -0.00135 0.00948 0.01349 0.01090 160 4YZ 0.02669 0.02689 -0.02106 0.00053 0.00841 161 16 C 1S 0.02815 0.00335 0.02973 0.01123 -0.04061 162 2S -0.32897 -0.09964 0.17850 0.03196 -0.08197 163 2PX 0.04857 0.17346 -0.12082 -0.08935 0.16059 164 2PY -0.13925 -0.03423 -0.07146 0.15736 -0.05082 165 2PZ 0.04418 0.01144 -0.06462 0.18916 -0.09602 166 3S -0.85264 -0.14772 -0.95239 -0.41582 1.39420 167 3PX 0.39497 0.24113 -0.14500 0.65666 -0.46443 168 3PY -0.16258 0.37836 -0.67421 0.49227 0.40934 169 3PZ 0.70469 0.18953 0.30728 0.13816 -0.70266 170 4XX -0.02413 -0.02299 0.01405 0.00873 -0.01148 171 4YY -0.04550 -0.01729 0.02680 -0.00186 -0.01245 172 4ZZ -0.01115 0.01643 0.00598 0.00469 0.00014 173 4XY -0.02166 -0.02107 0.03498 -0.00441 -0.01581 174 4XZ -0.01012 -0.00220 0.01961 0.01550 -0.01241 175 4YZ 0.00980 -0.01337 0.00630 -0.00748 0.00689 176 17 C 1S -0.02678 -0.00835 -0.01159 -0.01271 0.02780 177 2S -0.20330 -0.14908 0.24015 -0.00273 -0.15761 178 2PX 0.00669 0.00028 0.07490 -0.15325 0.15690 179 2PY -0.04734 -0.11289 0.13001 0.10785 -0.20206 180 2PZ 0.03983 -0.03953 0.06154 0.20345 -0.16483 181 3S 1.25837 0.53862 0.17460 0.39029 -1.03665 182 3PX 0.30757 0.41638 -0.41865 0.76407 -0.38317 183 3PY 0.71525 0.36316 0.16176 0.25290 -0.64146 184 3PZ -0.18248 0.32548 -0.67002 0.39040 0.42710 185 4XX -0.00776 -0.01024 0.02628 -0.01060 -0.01348 186 4YY -0.00149 0.00328 0.00538 0.01867 -0.01860 187 4ZZ -0.02520 -0.01785 0.01877 -0.01019 -0.00813 188 4XY 0.00052 0.00290 0.00781 -0.00527 0.00343 189 4XZ -0.02460 -0.02080 0.02134 -0.00517 -0.01711 190 4YZ 0.00123 -0.01464 0.00759 -0.00233 -0.00287 191 18 C 1S 0.02686 0.01124 0.00689 0.01182 -0.03174 192 2S -0.21614 -0.16699 0.19814 -0.03737 -0.10782 193 2PX -0.07784 -0.03337 0.01448 -0.21491 0.20956 194 2PY -0.05350 -0.14973 0.18586 0.05475 -0.16097 195 2PZ -0.07064 -0.02029 -0.02617 0.14801 -0.16652 196 3S -0.88299 -0.27459 -0.44618 -0.34469 1.24958 197 3PX -0.52340 -0.19556 -0.16484 -0.01627 0.46543 198 3PY -0.52313 -0.38745 0.24704 -0.79657 0.52254 199 3PZ -0.22746 0.11902 -0.47867 0.28641 0.56727 200 4XX -0.00122 0.00516 -0.00310 -0.00751 0.01453 201 4YY -0.02457 -0.02532 0.02919 -0.00064 -0.01892 202 4ZZ -0.02050 -0.01561 0.01381 0.00159 -0.01648 203 4XY 0.00635 0.00508 0.00200 0.00913 -0.00607 204 4XZ -0.00074 0.00634 -0.00215 0.00710 -0.00873 205 4YZ 0.02617 0.02321 -0.02181 0.01817 0.00044 206 19 C 1S -0.02396 -0.02019 0.00850 -0.01180 0.02360 207 2S -0.21217 -0.14036 0.14630 -0.01034 -0.11467 208 2PX -0.04117 0.03885 -0.08271 -0.20729 0.19959 209 2PY -0.00585 0.04148 -0.07231 0.09178 -0.08633 210 2PZ -0.05421 -0.07548 0.07653 0.12294 -0.21398 211 3S 1.26400 0.64892 0.05758 0.39618 -1.07621 212 3PX 0.17565 -0.13545 0.52966 -0.20390 -0.53799 213 3PY -0.48572 -0.56197 0.59647 -0.81577 0.37206 214 3PZ 0.59276 0.32677 0.10290 0.07664 -0.54981 215 4XX -0.01121 -0.00774 0.00737 -0.00890 -0.00811 216 4YY -0.02408 -0.02918 0.03523 -0.01244 -0.01097 217 4ZZ 0.00075 0.00478 0.00025 0.02019 -0.01622 218 4XY -0.02181 -0.02749 0.03076 -0.00557 -0.02050 219 4XZ -0.00366 0.00324 -0.00016 0.00064 0.00146 220 4YZ -0.00042 -0.00289 0.00084 -0.00433 -0.00110 221 20 C 1S 0.02068 0.01656 -0.00856 0.00735 -0.02722 222 2S -0.33743 -0.15841 0.13023 0.01878 -0.04954 223 2PX -0.00301 0.05124 -0.06112 -0.16288 0.16481 224 2PY 0.09650 0.07185 -0.06394 0.15071 -0.07247 225 2PZ -0.09777 -0.10980 0.13770 0.13493 -0.09858 226 3S -0.59974 -0.44923 -0.08721 -0.35891 1.20367 227 3PX 0.15214 -0.21411 0.57240 -0.29842 -0.44918 228 3PY 0.66281 0.18676 0.28073 -0.00931 -0.79199 229 3PZ -0.30432 -0.29245 0.36243 -0.70342 0.26972 230 4XX -0.02277 -0.01609 0.00800 -0.00031 -0.00682 231 4YY -0.01932 0.01189 -0.01517 0.00812 0.00620 232 4ZZ -0.04001 -0.02744 0.01833 -0.00622 -0.00160 233 4XY -0.01271 0.00923 -0.01396 0.01197 -0.00014 234 4XZ -0.02934 -0.01681 0.00665 -0.00999 -0.00430 235 4YZ 0.00787 -0.00002 -0.00365 -0.00918 0.00584 236 21 H 1S 0.02142 0.10646 -0.09606 0.08087 -0.01393 237 2S -0.37986 -0.11478 -0.10112 -0.03779 0.31767 238 22 H 1S 0.00907 0.05009 -0.03980 0.04869 0.03230 239 2S 0.14830 0.05280 0.10972 0.06601 -0.34473 240 23 H 1S 0.06443 0.08923 -0.04260 0.07612 -0.04078 241 2S -0.40482 -0.22585 0.03466 -0.15913 0.28389 242 24 H 1S 0.00162 0.07131 -0.06016 0.04093 0.03509 243 2S 0.16629 0.01227 0.19815 0.09096 -0.35772 244 25 H 1S 0.03892 0.08960 0.02068 0.07730 -0.06524 245 2S -0.37677 -0.11178 0.01117 -0.09235 0.26448 246 26 O 1S -0.00234 0.00119 -0.00693 -0.00564 -0.00058 247 2S 0.09630 -0.02309 0.02559 0.05540 0.04339 248 2PX 0.07254 -0.08509 0.07874 -0.00407 0.00838 249 2PY -0.03364 -0.04825 0.03851 -0.01504 -0.02163 250 2PZ 0.02252 -0.01397 0.03913 -0.06636 -0.03324 251 3S -0.07650 -0.07000 0.17056 -0.09416 -0.13124 252 3PX -0.00237 0.04870 0.00193 -0.03804 -0.07837 253 3PY -0.00752 -0.06922 0.06121 -0.00624 -0.02920 254 3PZ -0.02780 0.01203 -0.08280 -0.05308 0.04218 255 4XX 0.02089 0.00007 -0.00165 0.01389 0.01428 256 4YY 0.04397 -0.01366 -0.00104 0.00928 0.01780 257 4ZZ 0.04297 -0.02226 0.02319 0.00787 0.00333 258 4XY 0.00720 0.00566 -0.00495 0.00938 0.00494 259 4XZ 0.00443 -0.02117 0.01854 -0.01042 0.01435 260 4YZ -0.01209 0.00249 -0.00683 0.00458 0.00041 261 27 H 1S -0.05366 0.05665 -0.03895 0.03101 -0.05486 262 2S -0.03463 -0.12900 0.09104 0.07633 0.07800 263 28 H 1S -0.06747 -0.04601 0.01723 0.07219 -0.02384 264 2S -0.02280 -0.01780 0.03519 -0.00662 0.01722 96 97 98 99 100 V V V V V Eigenvalues -- 0.77067 0.77189 0.77761 0.78185 0.80057 1 1 C 1S 0.00182 -0.00936 0.01725 0.00491 0.00252 2 2S -0.13318 0.08145 0.11735 0.03718 0.01352 3 2PX 0.06051 0.17436 0.02273 -0.02425 -0.06437 4 2PY 0.11066 0.02466 -0.03091 -0.08122 -0.04335 5 2PZ 0.15747 -0.13113 -0.01297 0.01813 -0.06643 6 3S 0.89255 -1.03831 -1.49276 -0.25098 0.35803 7 3PX -0.31445 -0.27915 0.42721 -0.09656 0.37178 8 3PY -0.00057 -0.17043 0.88208 -0.18436 -0.39391 9 3PZ -0.98535 0.94636 0.07427 0.30079 0.42294 10 4XX 0.00214 -0.00240 0.00356 -0.00500 0.01203 11 4YY 0.02334 -0.02087 0.01006 -0.00741 -0.00752 12 4ZZ -0.04096 0.01743 -0.00493 0.02615 0.02897 13 4XY -0.01112 -0.03990 0.01593 0.03998 0.01967 14 4XZ -0.01544 -0.00649 -0.00897 0.00580 0.01183 15 4YZ 0.00840 0.00663 -0.01192 -0.01336 -0.01044 16 2 C 1S -0.00016 0.01519 0.01572 -0.00048 0.01428 17 2S -0.04090 -0.16581 0.11280 0.36733 0.22492 18 2PX 0.01416 -0.00277 0.07729 -0.10858 0.20833 19 2PY -0.03417 0.07796 -0.04000 -0.10265 0.09976 20 2PZ 0.05265 0.00286 0.13892 -0.26341 0.38241 21 3S -0.98578 -0.01350 -0.64687 -1.61234 -1.12041 22 3PX 0.11702 -0.52334 -0.19728 -1.24393 -0.78705 23 3PY 0.41900 -0.30461 -0.40545 0.74843 0.46990 24 3PZ -0.12541 0.42275 0.04330 0.64048 -0.52460 25 4XX -0.02720 0.01822 0.01638 0.03478 0.01482 26 4YY 0.00283 -0.03011 0.01699 -0.00112 0.03467 27 4ZZ 0.00198 -0.00471 -0.00133 0.01984 -0.00063 28 4XY 0.01191 0.03444 -0.01826 -0.02625 -0.02336 29 4XZ 0.01107 -0.01758 -0.01504 -0.01441 -0.00549 30 4YZ -0.01271 -0.01564 -0.00113 0.02439 -0.00121 31 3 C 1S 0.04446 0.01703 0.01455 0.04924 0.03521 32 2S -0.23086 -0.25056 0.07225 -0.00894 0.08516 33 2PX -0.02105 0.04936 -0.14006 -0.21317 -0.12332 34 2PY -0.02828 0.06941 0.07424 0.20331 0.11008 35 2PZ -0.01363 -0.05476 0.05342 0.01502 0.26656 36 3S -1.78342 -0.83660 -0.64516 -1.15319 -0.90572 37 3PX -1.92165 -0.28643 -0.29278 -0.98207 -1.23826 38 3PY 0.46679 1.41724 0.10287 2.82421 0.78829 39 3PZ 0.72549 -0.20495 0.12469 -0.23372 0.30627 40 4XX -0.02992 -0.06344 0.01908 0.02633 0.03920 41 4YY -0.02849 -0.00915 0.00758 0.02563 0.02203 42 4ZZ -0.00659 -0.00295 -0.00132 -0.01441 -0.01493 43 4XY 0.00051 0.02008 -0.00699 -0.00573 0.00302 44 4XZ 0.00697 0.02398 -0.00779 -0.01389 -0.01329 45 4YZ 0.00561 0.00158 -0.00422 -0.01593 -0.00998 46 4 C 1S -0.06528 -0.01415 -0.00953 -0.05867 -0.04503 47 2S -0.15597 -0.15603 0.00266 -0.02605 0.02702 48 2PX -0.03823 0.09529 -0.08694 -0.05444 -0.00499 49 2PY -0.07602 -0.01834 0.02512 0.03845 0.04536 50 2PZ -0.04369 0.01455 -0.00756 0.05192 0.29711 51 3S 2.69837 0.96932 0.20251 1.90001 1.39493 52 3PX -0.78502 0.35637 -0.39784 1.08794 -0.39393 53 3PY -1.47179 -0.79804 -0.25985 -1.94043 -1.17897 54 3PZ 0.74278 0.00421 0.23053 -0.05140 0.06846 55 4XX 0.00083 0.01446 -0.01653 -0.01826 -0.01940 56 4YY -0.03929 -0.02870 0.01450 -0.00322 -0.00823 57 4ZZ 0.01126 -0.00330 0.00134 0.00914 0.02370 58 4XY 0.00535 -0.01663 -0.00467 -0.00500 -0.01628 59 4XZ 0.00756 0.00318 0.00427 0.02234 0.00995 60 4YZ 0.01915 0.01619 -0.00078 0.00861 -0.00958 61 5 C 1S 0.05978 0.01190 0.00599 0.03299 0.03202 62 2S -0.18965 -0.11733 -0.07413 -0.21334 -0.12968 63 2PX 0.01504 -0.02923 -0.04104 0.13724 -0.01397 64 2PY 0.03500 0.11922 0.03634 0.01659 0.00200 65 2PZ -0.08315 0.09530 -0.16381 0.07415 -0.18427 66 3S -2.21205 -0.94533 -0.32795 -1.70031 -1.24576 67 3PX 1.30854 0.92591 0.08094 1.54669 0.81075 68 3PY 1.26303 -0.29973 0.53498 -0.77409 0.57781 69 3PZ -0.77026 -0.41377 -0.00166 -0.58538 -0.26579 70 4XX -0.03033 -0.02646 0.00644 -0.01833 -0.01568 71 4YY -0.00727 -0.02548 -0.02225 -0.04689 -0.00960 72 4ZZ -0.01488 0.00610 -0.00484 0.00066 -0.00902 73 4XY -0.00496 -0.01079 0.01723 0.01102 0.01761 74 4XZ 0.01909 0.01724 -0.00265 0.00391 -0.00839 75 4YZ 0.00386 0.00924 0.00641 -0.00022 0.02191 76 6 C 1S -0.07061 -0.03673 -0.00958 -0.04690 -0.03682 77 2S -0.10315 -0.12301 -0.07295 -0.22568 -0.12739 78 2PX -0.04482 -0.08693 -0.04252 0.05467 -0.07323 79 2PY 0.09045 -0.07205 -0.06109 -0.04496 -0.01318 80 2PZ -0.05413 0.17768 -0.15939 0.13935 -0.34296 81 3S 2.46444 1.36856 0.45871 2.05931 1.39715 82 3PX -0.83053 -0.79890 0.11521 -1.73450 -0.49056 83 3PY 1.65176 0.31205 0.64242 -0.02953 0.84027 84 3PZ 0.05186 0.17698 -0.03170 0.61065 0.35675 85 4XX -0.02224 -0.02036 0.00669 -0.02225 0.00344 86 4YY -0.02101 -0.02147 -0.01372 -0.02559 -0.02648 87 4ZZ 0.01727 0.01392 -0.00570 0.00645 -0.00457 88 4XY 0.02564 0.02232 -0.01613 -0.00871 -0.00621 89 4XZ 0.02106 0.00756 0.01123 0.01036 0.03141 90 4YZ -0.00314 0.00529 0.00062 0.01991 -0.00612 91 7 C 1S 0.05750 0.04038 0.01114 0.02878 0.01646 92 2S -0.20431 -0.20723 -0.05747 -0.18039 -0.08242 93 2PX 0.00661 0.13215 -0.03246 -0.06651 -0.20074 94 2PY -0.07917 -0.05637 -0.07478 -0.01735 -0.05399 95 2PZ -0.03047 0.05540 -0.13164 0.15819 -0.23824 96 3S -2.12439 -1.12355 -0.35348 -1.83097 -1.23977 97 3PX 0.59105 -0.64229 0.45901 -1.20949 0.39779 98 3PY -1.83854 -0.95286 -0.35098 -1.19002 -0.94763 99 3PZ 0.16173 0.37680 0.01467 0.64647 0.33360 100 4XX -0.01182 0.00378 -0.01979 -0.04396 -0.04046 101 4YY -0.03407 -0.03883 0.00287 -0.01982 -0.01590 102 4ZZ -0.00684 -0.00670 0.00271 -0.00684 0.01327 103 4XY -0.00858 0.00449 0.00526 0.02346 0.00038 104 4XZ 0.00052 -0.00035 -0.00152 0.02846 0.00872 105 4YZ 0.01110 0.00977 -0.00752 -0.00373 -0.01655 106 8 C 1S -0.06223 -0.06273 -0.01951 -0.04948 -0.01879 107 2S -0.14816 -0.19344 0.03104 -0.05007 0.03188 108 2PX 0.13584 0.05203 -0.08214 -0.13693 -0.05367 109 2PY -0.05149 0.08225 -0.01208 0.23152 0.08203 110 2PZ -0.01618 -0.02000 0.03964 -0.03392 -0.04596 111 3S 2.36901 2.03953 0.68166 2.33282 1.24287 112 3PX 1.63252 0.65036 0.53877 1.29503 1.16189 113 3PY -0.33440 0.72667 -0.17952 1.65468 -0.00650 114 3PZ -0.66065 -0.40472 -0.22676 -0.81815 -0.50458 115 4XX -0.03129 -0.05268 0.00740 0.00982 0.01450 116 4YY -0.01169 -0.02815 0.00089 -0.01504 0.01293 117 4ZZ 0.00775 0.01736 0.00381 0.01153 -0.00170 118 4XY 0.00010 0.00060 0.00496 -0.01699 -0.01095 119 4XZ 0.02501 0.03866 0.00057 0.00127 -0.01140 120 4YZ 0.00684 0.00678 0.00424 0.01030 0.02152 121 9 H 1S -0.18712 -0.24393 0.00539 -0.04140 0.01855 122 2S 0.59600 0.25996 0.11390 0.85073 0.56380 123 10 H 1S -0.04122 -0.05679 0.06800 0.04609 0.02095 124 2S -0.65529 -0.39874 -0.14841 -0.59865 -0.39020 125 11 H 1S -0.22647 -0.16598 0.03611 -0.05228 -0.05971 126 2S 0.68878 0.32967 0.05011 0.39000 0.30213 127 12 H 1S -0.03825 -0.10548 0.05768 0.05568 0.06088 128 2S -0.66935 -0.29317 -0.16537 -0.55861 -0.42117 129 13 H 1S -0.20956 -0.11995 0.05082 -0.06563 -0.05084 130 2S 0.59294 0.37888 0.14960 0.73469 0.49901 131 14 O 1S 0.00253 -0.01181 -0.01746 0.00771 0.00039 132 2S -0.05184 0.01839 0.00767 -0.02722 0.00428 133 2PX -0.02813 -0.06652 0.05628 0.05336 -0.00195 134 2PY -0.03038 0.01632 -0.02859 0.03285 -0.00734 135 2PZ 0.01365 0.06865 0.01459 -0.08724 0.03784 136 3S -0.00221 0.30288 0.44825 0.06487 -0.13283 137 3PX -0.02087 0.01472 0.03963 0.19306 0.11698 138 3PY -0.01870 -0.11120 -0.17976 -0.03739 0.00214 139 3PZ -0.00466 0.04726 0.11504 -0.08088 -0.00125 140 4XX 0.00180 0.00252 -0.00468 -0.01540 -0.00877 141 4YY -0.02763 0.00754 -0.01913 0.03450 -0.02829 142 4ZZ -0.01979 -0.00799 -0.00304 -0.01713 0.02527 143 4XY 0.00017 -0.01229 -0.00644 0.00324 -0.01710 144 4XZ -0.00290 0.01088 -0.00271 -0.01263 -0.00337 145 4YZ 0.00617 -0.00454 -0.00817 -0.00637 -0.00615 146 15 C 1S -0.03889 0.04575 0.06224 -0.01320 -0.00581 147 2S -0.07325 -0.13921 -0.17973 0.12815 0.09795 148 2PX -0.02083 -0.04752 0.15765 0.11180 0.05952 149 2PY -0.10787 0.05108 0.02847 0.04024 0.08568 150 2PZ 0.03497 -0.13891 0.12604 -0.06249 -0.06474 151 3S 1.08733 -1.54322 -2.26425 0.64970 0.40257 152 3PX -0.87517 1.16409 1.95381 -0.38007 -0.54894 153 3PY -1.63121 2.18406 0.57368 -0.47799 0.45121 154 3PZ 0.27488 -0.46694 2.02739 -0.05028 -0.73809 155 4XX -0.00964 -0.02193 -0.02149 -0.00075 0.02922 156 4YY -0.03656 0.00974 -0.01448 0.01777 0.01447 157 4ZZ 0.01196 -0.03071 0.00649 0.02973 -0.01202 158 4XY -0.04212 0.00299 -0.01623 0.02192 0.02020 159 4XZ -0.00509 -0.02838 0.00526 0.01014 0.00110 160 4YZ -0.00712 -0.01652 -0.00791 0.00637 0.00557 161 16 C 1S 0.05518 -0.06787 -0.06264 0.00057 -0.00693 162 2S -0.15345 0.05799 -0.13213 -0.10826 0.10725 163 2PX -0.03018 0.05947 0.00481 -0.06853 -0.00914 164 2PY -0.13319 0.15002 0.00752 0.06758 -0.02330 165 2PZ 0.05896 -0.16010 -0.01748 0.12832 -0.02536 166 3S -1.52998 2.22394 2.69537 -0.19161 -0.21172 167 3PX -0.02533 0.11519 -1.27721 -0.16169 0.49035 168 3PY -1.18160 1.72987 0.36487 -0.66994 0.37974 169 3PZ 0.86723 -1.03451 -1.79183 0.21410 0.25056 170 4XX 0.00675 0.00475 0.01577 0.00486 -0.00651 171 4YY -0.00122 0.00489 -0.01438 -0.02890 -0.00199 172 4ZZ -0.02092 -0.01050 -0.01445 -0.01326 0.01343 173 4XY 0.01804 -0.00411 0.00973 -0.01921 -0.01927 174 4XZ 0.01473 -0.02815 -0.01459 -0.01268 0.00128 175 4YZ 0.01772 0.01763 0.03179 -0.01035 -0.01030 176 17 C 1S -0.04986 0.05591 0.05005 -0.01586 0.01543 177 2S -0.04872 0.07818 -0.24905 -0.13733 0.15282 178 2PX 0.20297 -0.05028 -0.04821 -0.26874 0.01778 179 2PY 0.02504 -0.01039 0.03261 0.06976 -0.09705 180 2PZ 0.00611 -0.09432 0.18559 0.07615 -0.13107 181 3S 1.38375 -1.94045 -2.52144 0.74466 0.00494 182 3PX -0.42296 0.49214 -0.98492 -0.02921 0.42755 183 3PY 0.84123 -1.27054 -1.95467 0.29788 0.30362 184 3PZ -1.01796 1.59662 0.07895 -0.72092 0.49705 185 4XX -0.00312 0.00710 -0.01495 -0.01782 0.00638 186 4YY -0.02115 -0.00803 -0.03335 0.00671 0.02951 187 4ZZ -0.00329 0.01895 -0.03751 -0.01924 0.02098 188 4XY -0.01048 0.00055 -0.02299 -0.01650 0.02918 189 4XZ -0.02099 0.02325 -0.01885 -0.00585 0.01656 190 4YZ 0.02339 -0.00865 0.01596 0.00892 -0.02016 191 18 C 1S 0.02475 -0.03637 -0.08152 0.01661 0.01722 192 2S -0.11093 0.16884 -0.23484 -0.10867 0.22817 193 2PX 0.10591 0.10961 -0.10172 -0.20083 0.10807 194 2PY 0.08315 -0.12795 0.19808 0.05790 -0.15795 195 2PZ -0.26615 0.17381 0.04005 0.10161 -0.00803 196 3S -1.04346 1.56712 3.12127 -0.62469 -0.64216 197 3PX -0.76777 0.88280 1.55612 -0.26652 -0.17679 198 3PY 0.07486 -0.25719 1.23165 0.18732 -0.39367 199 3PZ -0.74706 1.35292 0.71075 -0.76241 0.33244 200 4XX -0.00131 0.00509 -0.02473 -0.01705 0.02804 201 4YY -0.01325 0.02124 -0.01353 -0.01425 0.02024 202 4ZZ -0.01821 0.02366 -0.01086 0.00402 0.01152 203 4XY -0.00533 -0.00620 -0.02702 0.00125 0.02402 204 4XZ -0.01371 0.00198 -0.03607 0.00313 0.02751 205 4YZ -0.00527 -0.02422 0.01627 0.02062 -0.01026 206 19 C 1S -0.00954 0.02552 0.07228 -0.02582 -0.00522 207 2S -0.11850 0.16628 -0.31233 0.00697 0.19286 208 2PX 0.04798 0.09572 -0.18991 0.00258 0.03698 209 2PY -0.17190 -0.00112 0.07838 0.15826 -0.04166 210 2PZ -0.13137 0.05165 0.00756 0.08016 -0.02036 211 3S 1.12297 -1.69023 -2.69347 0.67879 0.10422 212 3PX 0.69015 -1.29598 -0.53051 0.60492 -0.28710 213 3PY 0.50974 -0.60165 1.28727 0.05228 -0.64464 214 3PZ 0.72181 -1.10114 -1.92364 0.49053 0.26409 215 4XX 0.00241 0.01469 -0.02771 0.00556 -0.00568 216 4YY 0.01520 0.00557 -0.03006 -0.01798 0.01834 217 4ZZ -0.02236 -0.00386 -0.02501 0.00740 0.03281 218 4XY 0.00513 0.00886 -0.00244 -0.01111 -0.00121 219 4XZ -0.00471 0.00419 -0.02580 -0.00553 0.02361 220 4YZ 0.00028 0.01169 0.00665 -0.01373 -0.00208 221 20 C 1S 0.00269 -0.02188 -0.09573 0.04029 0.02045 222 2S -0.08596 0.08855 -0.18260 0.09288 0.06609 223 2PX 0.12527 -0.06198 -0.00254 0.16271 -0.20374 224 2PY -0.08307 -0.09304 -0.05521 0.01344 0.12285 225 2PZ -0.01047 -0.09613 0.17458 -0.04367 0.02274 226 3S -0.56654 1.09653 3.63253 -1.13343 -0.65522 227 3PX 0.68648 -1.21981 -0.44388 0.27108 -0.10502 228 3PY 0.85361 -1.05766 -2.14112 0.56841 0.22319 229 3PZ 0.31761 -0.54559 1.04643 0.22681 -0.76112 230 4XX -0.02294 0.02154 0.00826 0.00739 0.01143 231 4YY -0.01629 -0.00645 -0.03754 0.04089 0.00559 232 4ZZ -0.00136 0.01793 -0.01621 -0.00499 0.00229 233 4XY -0.02424 0.00408 -0.03218 0.01715 0.02041 234 4XZ -0.01936 0.02680 -0.02375 0.02281 0.00473 235 4YZ 0.00253 0.02047 0.02279 -0.00949 -0.01825 236 21 H 1S -0.07298 -0.09457 -0.24835 0.16783 0.10613 237 2S -0.43468 0.64111 0.92194 -0.20668 -0.22356 238 22 H 1S -0.06402 -0.02700 -0.00677 0.00707 0.09090 239 2S 0.21958 -0.32352 -0.91938 0.20542 0.15344 240 23 H 1S -0.03795 -0.08890 -0.23200 0.05283 0.14962 241 2S -0.33179 0.52582 0.74252 -0.24376 -0.02723 242 24 H 1S -0.15763 0.03126 -0.05073 -0.00491 0.15223 243 2S 0.38667 -0.49792 -0.78754 0.12778 0.07594 244 25 H 1S 0.01354 -0.18882 -0.17933 0.00238 0.05459 245 2S -0.47313 0.65775 0.88337 -0.30513 -0.22065 246 26 O 1S -0.00759 0.00766 -0.01114 0.00557 0.00419 247 2S -0.04990 -0.08067 0.03583 0.00477 0.13953 248 2PX 0.01719 -0.05951 0.03572 -0.00493 0.04538 249 2PY 0.07034 0.01502 0.00562 -0.04275 0.00303 250 2PZ 0.03337 0.06252 0.00003 -0.02681 -0.05993 251 3S 0.37282 -0.03395 0.24989 -0.16149 -0.55874 252 3PX -0.00522 0.08413 -0.12200 0.03150 0.00023 253 3PY 0.11581 -0.06342 0.01282 -0.03035 -0.09221 254 3PZ -0.15420 0.08145 -0.13989 0.10344 0.18331 255 4XX -0.01715 -0.01755 0.00435 0.00322 0.03618 256 4YY -0.03253 -0.01480 0.00860 0.01411 0.05913 257 4ZZ 0.00163 -0.02920 0.01206 -0.00978 0.02487 258 4XY -0.00322 0.00339 0.00668 -0.00613 -0.00585 259 4XZ -0.00260 -0.01745 0.02366 0.01451 0.01657 260 4YZ -0.00533 0.00423 -0.00850 0.00045 0.01123 261 27 H 1S 0.06196 0.00708 -0.08648 -0.05321 -0.10284 262 2S 0.10064 -0.28920 0.08697 0.03026 0.06808 263 28 H 1S 0.12418 -0.03087 -0.03119 -0.12994 -0.04252 264 2S -0.18511 -0.02604 -0.12428 0.10945 0.24161 101 102 103 104 105 V V V V V Eigenvalues -- 0.80953 0.81790 0.81971 0.82536 0.83035 1 1 C 1S -0.03101 0.00436 -0.01111 0.01643 0.00247 2 2S 0.04819 0.00666 0.12586 -0.05780 -0.01522 3 2PX 0.07976 -0.05753 0.08007 -0.36459 0.02351 4 2PY -0.02689 -0.00998 -0.06029 -0.11871 -0.00064 5 2PZ 0.02611 0.08259 0.10914 -0.08158 -0.11104 6 3S 0.92630 0.08650 -0.03959 -0.19824 -0.16322 7 3PX -0.20310 0.24407 -0.08109 0.56113 -0.06388 8 3PY -0.83214 0.08514 -0.12753 0.29552 0.10962 9 3PZ -0.00530 -0.25348 -0.14359 0.17862 0.11643 10 4XX -0.00105 0.00884 0.00465 -0.00736 -0.01225 11 4YY -0.00717 -0.00286 0.00002 0.00456 0.00286 12 4ZZ 0.01229 -0.00042 0.00365 0.00760 -0.00110 13 4XY -0.01696 0.00263 0.00745 -0.00190 -0.00296 14 4XZ 0.00007 -0.00090 -0.00501 -0.02093 0.00235 15 4YZ -0.00471 0.00475 -0.00102 -0.01513 0.00557 16 2 C 1S 0.00757 -0.02424 0.00757 -0.00367 0.00701 17 2S -0.04462 0.15340 -0.01924 0.16941 -0.04003 18 2PX 0.09064 0.03659 -0.06099 -0.09920 0.03470 19 2PY 0.04668 -0.07281 0.04597 -0.03931 -0.06807 20 2PZ 0.06761 -0.00739 -0.02583 0.12085 -0.06072 21 3S 0.23988 0.28573 0.15204 -0.78961 -0.09405 22 3PX 0.00313 0.51026 0.14737 -0.21081 -0.21254 23 3PY 0.60609 -0.18638 0.18717 -0.15795 0.01168 24 3PZ -0.34961 -0.16528 -0.01297 0.02438 0.17479 25 4XX -0.00310 -0.00113 0.00532 0.00352 0.00188 26 4YY 0.01482 0.00441 0.01057 0.00959 -0.00096 27 4ZZ 0.00101 0.00652 -0.00718 -0.00823 -0.00564 28 4XY 0.00559 0.01702 -0.00972 -0.00632 0.00521 29 4XZ -0.00094 0.00947 -0.00231 0.02336 -0.00652 30 4YZ -0.02073 0.00552 0.00342 0.01739 -0.00734 31 3 C 1S -0.00573 0.03315 -0.02000 -0.00514 0.00919 32 2S 0.00877 0.09226 0.06748 -0.01657 -0.00297 33 2PX -0.05561 0.08478 -0.11545 0.12175 -0.03717 34 2PY -0.11349 -0.12718 -0.04788 0.22530 0.00632 35 2PZ 0.07063 0.03867 0.11627 -0.08820 -0.03785 36 3S 0.30521 0.89007 -0.29051 0.34688 -0.11851 37 3PX -0.26700 0.71145 -0.14271 0.26562 -0.15503 38 3PY -0.29228 -0.90982 -0.17087 0.65465 0.20860 39 3PZ 0.18529 -0.13703 0.03536 -0.23987 0.02793 40 4XX 0.01351 0.05101 -0.00735 -0.00436 -0.00022 41 4YY -0.00921 0.06138 -0.04241 0.01223 0.00915 42 4ZZ -0.00233 -0.00940 0.03135 -0.00242 -0.00051 43 4XY 0.00630 0.02676 -0.02033 -0.00670 -0.00354 44 4XZ -0.00564 -0.05094 0.00927 0.00246 -0.01045 45 4YZ 0.01408 -0.04997 -0.00707 -0.00384 -0.00311 46 4 C 1S -0.02454 0.01821 -0.01797 0.04823 -0.00644 47 2S -0.05746 -0.06508 -0.09139 0.05181 0.01915 48 2PX 0.07006 -0.42947 -0.04718 -0.03757 -0.07637 49 2PY -0.01835 -0.04391 -0.07635 0.15251 -0.03187 50 2PZ 0.12553 0.05032 -0.40383 0.05598 -0.09758 51 3S 0.51955 -1.32670 0.61251 -0.75843 0.07260 52 3PX -0.11502 0.21788 -0.05437 0.55373 0.00031 53 3PY -0.11130 1.28443 -0.20473 0.00263 -0.07795 54 3PZ -0.07534 -0.24462 0.50296 -0.32946 0.16597 55 4XX -0.02223 -0.01807 -0.03100 0.03567 -0.00176 56 4YY -0.02419 -0.02872 0.00482 0.03645 0.00324 57 4ZZ 0.01108 0.00323 -0.00029 -0.01752 -0.00194 58 4XY 0.01323 -0.01210 0.02356 -0.02720 0.00318 59 4XZ 0.01885 0.00956 -0.00277 -0.02676 0.00243 60 4YZ -0.00860 0.02628 0.03087 -0.00604 0.00857 61 5 C 1S 0.01647 -0.07677 0.02645 -0.04020 0.00058 62 2S -0.07460 -0.26151 -0.08570 0.09789 0.00911 63 2PX 0.12971 -0.10989 -0.08627 -0.16170 -0.00473 64 2PY -0.07817 -0.15285 -0.05148 0.11899 -0.03017 65 2PZ 0.07022 -0.07469 -0.40761 -0.03223 -0.02117 66 3S 0.00065 2.16222 -0.38439 0.09652 -0.11412 67 3PX 0.01642 -1.01360 0.38489 -0.02723 0.03930 68 3PY 0.04604 0.00975 0.20418 -0.55335 0.12130 69 3PZ -0.10941 0.56028 0.21146 0.20485 -0.01503 70 4XX -0.00901 -0.06050 0.03327 -0.00488 0.00492 71 4YY 0.01341 -0.04689 0.00129 -0.03475 -0.00415 72 4ZZ -0.00239 0.01333 -0.03556 0.01893 -0.00147 73 4XY -0.00692 -0.00276 0.01349 0.02445 -0.00336 74 4XZ -0.01206 0.06656 0.01545 0.00993 0.00526 75 4YZ -0.00110 0.02544 -0.00867 0.01366 -0.00532 76 6 C 1S -0.00213 0.04493 -0.02167 0.00952 0.00282 77 2S -0.01274 -0.42615 0.04889 0.02578 -0.00329 78 2PX 0.07981 0.04427 -0.05434 -0.18795 0.05321 79 2PY 0.10615 -0.04323 0.01230 -0.26063 0.01920 80 2PZ -0.03472 -0.07381 -0.10321 0.01816 0.07360 81 3S -0.05623 -0.93526 0.21787 -0.20852 0.13861 82 3PX -0.08217 1.07005 -0.11890 0.08855 -0.08372 83 3PY -0.17941 -0.87415 0.28457 -0.01466 0.07385 84 3PZ 0.05207 -0.20749 0.10735 0.07928 -0.08066 85 4XX -0.00448 -0.04920 -0.00887 0.00877 -0.00035 86 4YY -0.00191 -0.03720 -0.01494 0.01096 0.00503 87 4ZZ -0.00206 -0.00298 0.01719 -0.00714 0.00326 88 4XY 0.00029 0.04225 -0.03239 -0.01201 0.00323 89 4XZ 0.00520 0.01195 0.00924 0.00095 -0.01155 90 4YZ 0.00680 -0.01949 -0.00794 -0.00680 -0.00239 91 7 C 1S -0.01860 -0.08318 0.01882 0.03248 -0.00078 92 2S 0.06342 -0.17886 0.08111 -0.03253 -0.01346 93 2PX -0.18225 0.04467 -0.05309 0.17114 0.08826 94 2PY 0.06486 0.14956 0.04788 -0.13739 0.01443 95 2PZ -0.01490 0.03296 0.32606 -0.07743 0.06837 96 3S 0.07485 2.13697 -0.39193 -0.13091 -0.11889 97 3PX 0.15906 -0.06385 0.19239 -0.39680 -0.05854 98 3PY 0.15970 1.15478 -0.20357 0.01660 -0.14852 99 3PZ -0.03454 -0.28275 -0.32012 0.19753 -0.05336 100 4XX -0.00425 -0.03429 -0.00071 0.02061 -0.00420 101 4YY -0.00541 -0.08035 0.03795 0.02058 0.00034 102 4ZZ 0.00657 0.03309 -0.00430 -0.00970 -0.00544 103 4XY 0.00308 0.00894 0.01542 -0.00778 0.00068 104 4XZ 0.01478 0.03088 -0.03411 -0.02931 0.00769 105 4YZ -0.01043 0.03954 0.02050 -0.00617 0.00749 106 8 C 1S 0.03556 0.03652 0.01661 -0.04685 -0.00672 107 2S 0.06504 0.04427 0.10984 -0.03981 -0.00742 108 2PX -0.13227 -0.05079 0.15787 0.10178 0.01323 109 2PY -0.06026 0.39917 -0.10556 0.00410 0.04686 110 2PZ -0.11948 0.13796 0.53171 0.05577 -0.01672 111 3S -0.69381 -1.80437 -0.04923 0.69039 0.20467 112 3PX -0.01604 -1.16715 -0.07159 -0.00178 0.19937 113 3PY -0.15953 -0.68566 -0.08906 0.46280 0.03034 114 3PZ 0.22491 0.43133 -0.53259 -0.20892 -0.07153 115 4XX 0.01878 0.00987 0.04828 -0.02431 0.00012 116 4YY 0.03170 0.00670 0.04271 -0.04744 -0.00783 117 4ZZ -0.00464 -0.01482 -0.03489 0.01811 0.00194 118 4XY -0.02003 -0.02368 0.00580 0.02956 0.00203 119 4XZ -0.02919 0.01663 0.01089 0.02483 0.00429 120 4YZ -0.00295 0.01240 -0.01525 0.00765 -0.00292 121 9 H 1S 0.11038 -0.08375 0.11627 -0.10800 -0.01377 122 2S -0.03261 -0.46889 -0.03624 0.00752 0.16810 123 10 H 1S -0.03569 -0.37589 0.12039 0.12959 -0.01099 124 2S 0.10320 0.50977 -0.03396 -0.06564 -0.06295 125 11 H 1S -0.01007 -0.13403 0.00511 0.06828 0.01020 126 2S -0.02127 -0.57096 0.09795 -0.04933 0.03595 127 12 H 1S 0.03366 -0.37483 0.10787 -0.06708 -0.00140 128 2S -0.05605 0.44175 -0.19575 0.15158 -0.02114 129 13 H 1S -0.07109 -0.14352 0.00342 0.15588 -0.01334 130 2S -0.03232 -0.46863 0.04821 -0.00853 0.07141 131 14 O 1S 0.01287 0.00268 0.00695 -0.01077 -0.00556 132 2S -0.01575 -0.01696 0.01271 0.07124 0.01728 133 2PX -0.03340 -0.01586 -0.01404 0.04987 0.01238 134 2PY -0.00807 0.02084 -0.03212 0.00962 -0.01973 135 2PZ 0.03616 -0.02850 -0.04775 -0.03784 0.00523 136 3S -0.47241 0.01099 -0.19990 0.20291 0.07598 137 3PX -0.02264 -0.06721 -0.00945 0.05298 0.02205 138 3PY 0.16201 0.02767 0.08346 -0.14736 -0.05549 139 3PZ -0.11119 0.02916 -0.04594 0.08538 0.01566 140 4XX 0.00375 -0.00563 0.01049 0.00475 0.00455 141 4YY -0.01701 0.00257 0.00365 0.02145 0.00278 142 4ZZ 0.00249 -0.00342 0.00878 0.03145 -0.00442 143 4XY -0.00545 -0.00137 0.00533 0.00934 -0.00276 144 4XZ 0.00709 0.00415 -0.00042 -0.00881 0.00384 145 4YZ 0.01389 -0.00268 -0.00046 -0.01306 0.00546 146 15 C 1S 0.00976 0.00530 0.00259 0.03571 0.00229 147 2S 0.02843 0.05262 -0.07189 0.08521 -0.07069 148 2PX -0.05831 0.00211 -0.06744 -0.17670 0.02261 149 2PY -0.02565 0.06235 0.15559 0.12258 0.09943 150 2PZ -0.20520 0.03479 -0.11874 0.08944 -0.08683 151 3S 0.87142 -0.22387 0.14891 0.56212 0.20765 152 3PX -1.13657 0.13644 -0.07549 0.30015 0.04197 153 3PY 0.54733 0.22116 0.41487 -0.26148 -0.51919 154 3PZ -1.56167 -0.00964 -0.54831 0.25941 0.46261 155 4XX -0.00630 -0.00246 -0.01354 0.01772 0.00240 156 4YY 0.05234 0.00925 0.00356 0.04526 0.01563 157 4ZZ 0.00387 0.00708 -0.00582 0.02911 -0.02477 158 4XY 0.00741 0.00123 0.00705 0.03619 -0.00828 159 4XZ 0.00429 0.00468 -0.01120 0.04737 0.00734 160 4YZ -0.04020 -0.00795 -0.00880 -0.04880 0.00202 161 16 C 1S 0.01477 -0.00318 -0.02173 -0.00645 -0.01995 162 2S -0.04431 0.01099 -0.09855 0.00951 -0.33966 163 2PX 0.23177 0.02843 -0.03303 0.03379 0.31755 164 2PY 0.22452 0.06287 0.12994 0.31474 -0.07108 165 2PZ -0.12634 0.03092 -0.02424 0.08667 -0.16041 166 3S -1.06526 0.12728 0.11643 -0.37383 0.36638 167 3PX 1.06877 0.06966 0.50494 -0.09121 -0.57850 168 3PY 0.41429 0.20901 0.49104 -0.60801 -0.44013 169 3PZ 1.18315 -0.15459 0.14075 0.06844 0.20499 170 4XX -0.00678 0.00350 -0.00950 0.00067 -0.04437 171 4YY -0.01634 -0.00086 -0.02961 -0.00960 -0.05485 172 4ZZ -0.00688 0.00230 -0.01877 -0.01424 -0.00719 173 4XY 0.00184 0.00176 -0.02736 -0.01967 -0.01912 174 4XZ -0.01946 0.00609 -0.01945 0.00094 -0.03816 175 4YZ 0.01680 0.00429 0.01327 0.01863 0.04219 176 17 C 1S -0.04759 -0.00088 -0.00178 -0.04161 -0.04165 177 2S -0.22880 -0.04245 -0.03353 -0.13594 -0.19983 178 2PX 0.03763 0.04096 -0.10812 -0.00049 0.14656 179 2PY 0.03376 -0.00476 0.01865 -0.00720 -0.14699 180 2PZ -0.05921 0.03412 -0.06051 -0.17186 -0.39353 181 3S 1.85018 -0.11851 0.18949 0.81709 0.47797 182 3PX 1.08817 0.07979 0.60470 -0.06166 -0.52764 183 3PY 0.89066 -0.09293 0.06493 0.39671 0.26639 184 3PZ 0.73700 0.20292 0.59860 -0.22276 -0.16649 185 4XX 0.00615 -0.00728 -0.00136 -0.01737 0.00973 186 4YY -0.05547 -0.00427 -0.00338 -0.03906 -0.05633 187 4ZZ -0.00959 -0.00367 0.00064 -0.00413 -0.04552 188 4XY -0.03744 -0.00453 0.00019 -0.01756 -0.00911 189 4XZ -0.01348 -0.00998 0.00229 -0.03481 -0.06123 190 4YZ 0.01912 0.00008 0.01026 0.02826 0.01931 191 18 C 1S 0.02893 -0.00680 0.01503 0.02726 0.02166 192 2S -0.36716 -0.07582 0.04571 -0.21501 0.10089 193 2PX -0.07881 0.01971 0.03409 0.12762 -0.05727 194 2PY -0.10846 -0.02903 -0.07841 -0.14129 0.27813 195 2PZ 0.15466 -0.02069 0.01957 -0.19927 -0.24375 196 3S -0.86082 0.24113 -0.21812 -0.28728 -0.29703 197 3PX -0.77583 0.06970 -0.11239 -0.56615 -0.05516 198 3PY -1.36155 -0.12115 -0.55067 0.17272 0.19059 199 3PZ -0.04583 0.23792 0.37289 -0.38000 -0.25931 200 4XX -0.04557 0.00039 0.00107 -0.00119 0.00689 201 4YY -0.01838 -0.01087 0.01004 -0.01580 0.02720 202 4ZZ -0.02808 -0.00910 0.01191 -0.01531 0.01149 203 4XY -0.03822 -0.00328 0.00766 -0.00866 -0.01474 204 4XZ -0.03588 -0.00652 0.00488 -0.00821 0.04634 205 4YZ -0.00895 0.00659 -0.01860 -0.02859 -0.01465 206 19 C 1S -0.07730 0.00002 -0.01402 -0.04369 0.03538 207 2S -0.22907 -0.04045 0.12296 -0.03283 0.33628 208 2PX -0.04897 0.02935 0.08982 0.14270 -0.30896 209 2PY 0.04355 0.00531 -0.08452 -0.10112 0.16923 210 2PZ 0.19552 -0.01364 -0.00151 -0.02943 0.22138 211 3S 2.08247 -0.12125 0.11445 0.69408 -0.46865 212 3PX -0.03641 -0.24269 -0.41069 0.36937 0.67971 213 3PY -1.29475 -0.15842 -0.57763 0.28996 0.27868 214 3PZ 0.73141 -0.12443 0.10621 0.50476 -0.12173 215 4XX -0.01762 -0.00397 0.01380 -0.01019 -0.00119 216 4YY -0.03562 -0.00488 0.00790 -0.00731 0.05434 217 4ZZ -0.03486 -0.00581 -0.00576 -0.02248 0.06596 218 4XY -0.01437 -0.00798 -0.00219 -0.03358 0.05528 219 4XZ -0.06584 -0.00482 0.00015 -0.02101 0.03891 220 4YZ 0.05079 0.00028 0.00238 0.02089 -0.02097 221 20 C 1S 0.04260 -0.00209 0.01874 0.01507 0.00660 222 2S -0.12436 0.01951 0.06390 0.11746 0.29012 223 2PX -0.01217 0.02770 0.05269 0.12711 -0.30031 224 2PY 0.08965 0.01199 -0.02063 0.02812 0.08318 225 2PZ 0.20846 0.02095 -0.06884 0.33259 0.11928 226 3S -1.67945 0.19901 -0.37849 -0.68580 -0.38248 227 3PX -0.15291 -0.22419 -0.46668 0.27740 0.57874 228 3PY 1.20671 -0.19073 0.18785 0.21849 -0.11781 229 3PZ -1.46342 -0.14850 -0.56570 -0.04018 0.30313 230 4XX 0.02012 0.00167 0.00192 0.00278 0.03272 231 4YY -0.04392 0.00171 0.00717 0.00795 0.01493 232 4ZZ -0.00697 0.00607 0.01910 0.01310 0.02346 233 4XY 0.00062 0.00473 0.00564 0.02448 0.02253 234 4XZ 0.01422 0.00366 0.02459 0.00285 0.00435 235 4YZ 0.01514 0.00405 0.00342 0.00860 -0.04464 236 21 H 1S -0.12055 0.00229 0.01337 0.02643 0.10619 237 2S -0.56675 0.09580 -0.04306 -0.02068 0.07175 238 22 H 1S -0.37990 -0.00786 -0.05016 -0.15396 0.19882 239 2S 0.48268 -0.06142 0.13134 0.20260 0.08718 240 23 H 1S -0.17087 -0.02189 0.02309 -0.00905 0.09462 241 2S -0.47672 0.00698 -0.04028 -0.24469 -0.01450 242 24 H 1S -0.27522 -0.00558 -0.02880 -0.17927 -0.16915 243 2S 0.34495 -0.06287 0.01033 0.17403 0.01792 244 25 H 1S -0.11825 0.00803 -0.09542 -0.07452 -0.14989 245 2S -0.46537 0.10924 -0.04218 -0.06203 -0.13088 246 26 O 1S 0.00940 -0.00140 0.00345 -0.00297 -0.00272 247 2S -0.01832 0.07385 0.07397 0.00925 0.02422 248 2PX 0.01721 0.04655 0.10124 -0.01434 -0.01123 249 2PY 0.02799 -0.02419 -0.05069 -0.00727 -0.00954 250 2PZ 0.05360 -0.02947 0.02990 -0.07211 0.01650 251 3S -0.22835 -0.08054 -0.11773 -0.07599 0.00179 252 3PX 0.07426 -0.07601 -0.06467 -0.04380 -0.00969 253 3PY -0.03687 0.02092 0.02997 -0.02085 0.01788 254 3PZ 0.17558 0.00743 0.05974 -0.00601 -0.02669 255 4XX -0.00550 0.01628 0.01576 0.00922 0.01486 256 4YY -0.00123 0.02931 0.03722 -0.00702 0.00502 257 4ZZ 0.00150 0.02966 0.04959 -0.01558 0.00091 258 4XY -0.00293 0.00166 0.01079 -0.00589 0.00609 259 4XZ 0.00528 0.01106 0.02997 0.00542 -0.00087 260 4YZ -0.00385 -0.00920 -0.02156 0.03087 0.00845 261 27 H 1S -0.02679 -0.04473 -0.11482 0.00458 -0.01186 262 2S -0.07902 0.11608 0.10164 0.07366 -0.05075 263 28 H 1S 0.00399 0.02859 -0.03954 0.05756 0.02108 264 2S 0.22961 0.06233 0.13054 0.01131 -0.06556 106 107 108 109 110 V V V V V Eigenvalues -- 0.83489 0.83665 0.83892 0.84117 0.86299 1 1 C 1S 0.00001 -0.00377 0.00747 0.00095 -0.00696 2 2S -0.09388 0.02567 -0.02581 0.02045 0.10958 3 2PX -0.01509 0.02036 -0.04577 0.04092 0.08690 4 2PY 0.02190 0.02327 0.03962 -0.02320 -0.00872 5 2PZ 0.12744 -0.03205 -0.03586 -0.01177 -0.09885 6 3S 0.43110 -0.04009 -0.14110 -0.05267 -0.25800 7 3PX -0.01564 0.01723 0.08928 -0.14395 -0.16734 8 3PY -0.21231 0.02499 0.02989 -0.16959 -0.46648 9 3PZ -0.32546 0.04719 0.00970 0.10252 0.78173 10 4XX -0.00104 0.00118 -0.01118 -0.00397 0.00037 11 4YY -0.00577 0.00212 0.01460 0.00548 -0.01876 12 4ZZ -0.00592 -0.00071 -0.00123 0.00640 0.04194 13 4XY -0.00037 -0.00122 0.00868 0.00775 -0.00456 14 4XZ -0.00631 0.00741 0.00510 -0.00142 0.02631 15 4YZ 0.00350 0.00152 -0.00111 -0.00485 -0.00028 16 2 C 1S -0.00370 0.00058 0.00056 0.01348 0.01153 17 2S 0.03525 -0.08666 0.00243 0.04369 -0.08998 18 2PX -0.04564 0.02460 0.03098 0.02344 0.17524 19 2PY -0.01806 -0.01135 -0.05513 0.00970 0.08638 20 2PZ 0.04357 -0.01904 -0.02554 0.05483 0.15065 21 3S -0.17613 0.19409 -0.22786 -0.63931 0.24553 22 3PX 0.12760 0.00590 -0.22646 -0.56554 -0.77086 23 3PY 0.07887 -0.02807 -0.01293 0.26971 -0.00250 24 3PZ -0.04817 -0.02174 0.12537 0.12841 -0.04894 25 4XX -0.01175 -0.01282 0.00428 0.01497 0.02063 26 4YY 0.00964 0.00195 -0.00714 0.00380 -0.00925 27 4ZZ -0.00135 0.00045 -0.01073 -0.00354 -0.01156 28 4XY -0.00042 0.00325 -0.00710 -0.00981 0.00083 29 4XZ 0.01175 -0.00136 0.00423 -0.00668 -0.00890 30 4YZ -0.00065 -0.00285 0.00233 -0.00169 -0.01139 31 3 C 1S -0.01165 0.00576 0.01018 0.02314 0.00794 32 2S 0.09202 -0.13535 0.17655 -0.28978 0.09623 33 2PX 0.02644 -0.14672 -0.03905 -0.21043 -0.15969 34 2PY -0.08414 -0.15942 -0.02398 0.15704 -0.00610 35 2PZ 0.00647 0.09546 -0.07104 0.06268 -0.06916 36 3S -0.03951 0.16528 -0.49512 0.06200 -0.13149 37 3PX 0.13008 0.19821 -0.15201 -0.53514 -0.09858 38 3PY 0.18270 0.04588 0.43136 0.75236 0.55847 39 3PZ -0.12481 -0.06166 -0.01375 0.01602 0.04326 40 4XX 0.00722 0.00853 0.01065 -0.02314 -0.00206 41 4YY -0.00409 -0.02594 0.02732 -0.00544 0.02297 42 4ZZ 0.00472 -0.00519 0.00541 -0.00648 0.00787 43 4XY -0.00974 0.01290 -0.00864 0.01198 0.01206 44 4XZ 0.00040 -0.00180 -0.02341 -0.00868 -0.02940 45 4YZ 0.01178 0.00112 0.00205 -0.00694 0.00737 46 4 C 1S 0.01400 -0.03286 0.00719 -0.05620 -0.00941 47 2S -0.19119 -0.43330 0.02684 -0.12894 0.04578 48 2PX -0.05704 -0.16934 -0.15769 -0.11902 -0.15537 49 2PY 0.10287 0.07194 0.00709 -0.06520 -0.04909 50 2PZ 0.00062 0.17398 -0.18020 -0.09535 -0.20252 51 3S 0.13002 0.46843 0.16968 0.88429 0.11285 52 3PX 0.23998 0.15669 0.16341 0.25283 0.22079 53 3PY -0.00459 0.08986 -0.23750 -0.61603 -0.24462 54 3PZ -0.08410 -0.21120 0.25606 0.19178 0.23053 55 4XX 0.00037 -0.07449 0.02049 -0.06005 -0.00410 56 4YY -0.01502 -0.07495 0.01782 -0.03631 0.01271 57 4ZZ -0.00962 0.01012 -0.01264 0.01755 -0.00521 58 4XY -0.01323 -0.00276 -0.01075 0.01355 -0.00071 59 4XZ -0.00042 0.05645 -0.01007 0.04144 0.00919 60 4YZ 0.00657 0.01808 0.01329 0.02981 0.01334 61 5 C 1S -0.03231 -0.05241 -0.00736 0.00555 0.00314 62 2S -0.25014 -0.30188 -0.15613 0.13354 -0.05066 63 2PX -0.05569 0.10116 -0.08338 0.07862 -0.02986 64 2PY 0.14170 -0.26618 0.18897 -0.47075 0.01375 65 2PZ 0.02480 0.11829 -0.04445 -0.10654 -0.09490 66 3S 0.37373 0.65111 -0.13164 -0.79520 -0.23722 67 3PX 0.10658 -0.21359 0.32060 0.32550 0.23933 68 3PY -0.32823 0.13244 -0.11060 0.35023 -0.02640 69 3PZ -0.01195 -0.04261 -0.07132 -0.02589 0.06461 70 4XX -0.05084 -0.05221 -0.02543 0.04028 0.00427 71 4YY -0.06040 -0.10166 -0.03483 -0.02150 -0.02365 72 4ZZ 0.01541 0.02828 0.00411 -0.00328 0.00500 73 4XY 0.01591 0.00500 0.00972 -0.01277 -0.00129 74 4XZ 0.03385 0.03601 0.02559 -0.00225 0.00348 75 4YZ 0.01342 0.03646 -0.00949 0.00709 -0.01963 76 6 C 1S -0.03057 0.02930 -0.04089 0.06009 -0.00834 77 2S -0.07711 0.09801 -0.15385 0.26739 -0.06167 78 2PX -0.22262 -0.21848 -0.02378 0.11363 0.15267 79 2PY -0.21976 -0.34178 -0.03942 -0.07437 0.05227 80 2PZ 0.16414 0.13450 0.24762 0.03887 0.33836 81 3S 0.22444 -0.31678 0.69535 -0.02583 0.29795 82 3PX -0.00891 0.27142 -0.30967 -0.40363 -0.36222 83 3PY 0.08298 0.14136 0.20745 0.19910 0.03942 84 3PZ -0.03740 -0.11677 -0.14972 0.05325 -0.34689 85 4XX -0.04475 0.00826 -0.05246 0.07270 -0.01949 86 4YY -0.01877 0.06530 -0.04008 0.10218 -0.00907 87 4ZZ 0.00919 -0.02018 0.02280 -0.01932 0.01383 88 4XY -0.00675 0.00246 -0.00509 0.00094 -0.01290 89 4XZ 0.03579 -0.00904 0.02222 -0.07808 -0.01515 90 4YZ 0.01621 -0.01760 0.02407 -0.04834 0.01837 91 7 C 1S 0.04642 0.04063 0.02597 0.00628 0.00162 92 2S 0.12814 0.41444 -0.02511 0.16375 0.04768 93 2PX -0.19035 -0.00053 -0.11004 0.48366 -0.01872 94 2PY -0.04762 -0.02682 0.01842 -0.00467 0.06878 95 2PZ 0.06670 -0.12311 0.23170 0.00146 0.17392 96 3S -0.33396 -0.45394 -0.47025 -0.92043 -0.47397 97 3PX -0.07026 -0.03639 -0.04250 -0.45182 0.01770 98 3PY -0.03615 0.13819 -0.41045 -0.42095 -0.33134 99 3PZ 0.05870 0.12788 -0.09803 0.04995 -0.12804 100 4XX 0.06439 0.08419 0.02135 -0.01144 0.00584 101 4YY 0.03950 0.07355 0.01049 0.03884 0.00854 102 4ZZ -0.01871 -0.01196 -0.02072 -0.00871 -0.01750 103 4XY -0.00118 -0.01850 0.01365 -0.01596 0.02389 104 4XZ -0.04894 -0.05659 -0.00693 0.01327 0.02439 105 4YZ -0.02028 -0.02830 -0.00076 0.01058 0.00012 106 8 C 1S 0.01441 0.01015 0.00535 -0.04807 0.00403 107 2S 0.24248 0.33328 0.14711 -0.12547 0.09205 108 2PX 0.11665 0.08851 0.03755 0.04755 -0.18942 109 2PY -0.17829 -0.17331 -0.00655 0.12987 0.02340 110 2PZ -0.05134 -0.05902 -0.11269 -0.01720 -0.23778 111 3S -0.25153 -0.53365 0.28659 1.03279 0.36761 112 3PX -0.13136 -0.11171 0.32391 0.65116 0.57317 113 3PY 0.36035 0.14799 0.26549 0.08533 0.14419 114 3PZ 0.03191 0.04569 -0.04750 -0.27390 0.08799 115 4XX 0.02482 0.02360 0.02695 -0.01953 0.02174 116 4YY 0.04858 0.05287 0.02703 -0.06277 0.01758 117 4ZZ -0.00376 0.00581 -0.00474 0.01461 0.00246 118 4XY 0.00906 0.00688 -0.00619 0.01482 -0.02279 119 4XZ -0.02609 -0.02603 -0.01643 0.03225 -0.01502 120 4YZ -0.02068 -0.01500 -0.01637 0.01175 -0.00847 121 9 H 1S 0.12212 0.07749 0.08945 -0.11182 0.05465 122 2S 0.01205 0.07041 0.24662 0.31141 0.26468 123 10 H 1S 0.17415 0.21185 0.07108 0.06072 0.03807 124 2S -0.01053 0.14161 -0.18271 -0.14985 -0.11478 125 11 H 1S -0.11849 0.10457 -0.14811 0.30335 0.00836 126 2S 0.02584 -0.03317 0.10576 0.17896 0.03232 127 12 H 1S -0.16153 -0.23352 -0.06343 0.05127 0.03279 128 2S -0.03909 -0.01415 -0.13701 -0.11279 -0.10373 129 13 H 1S -0.00713 -0.20225 0.03689 -0.16828 0.01560 130 2S -0.08283 -0.17080 0.14173 0.26529 0.16844 131 14 O 1S 0.00041 0.00128 -0.00587 -0.00233 -0.00449 132 2S -0.01590 -0.01036 0.03209 0.01824 0.03988 133 2PX 0.01807 -0.01316 0.02366 0.02481 0.04179 134 2PY -0.00466 0.00562 -0.00440 -0.00384 0.01060 135 2PZ -0.00296 0.02378 -0.02169 -0.00457 0.06029 136 3S 0.00375 -0.02632 0.07672 0.02102 -0.06638 137 3PX -0.02087 -0.01050 0.03251 0.07029 0.06247 138 3PY -0.00029 0.01329 -0.07277 -0.06168 -0.01797 139 3PZ -0.00542 -0.00557 0.03894 -0.00570 -0.00371 140 4XX -0.00249 0.00163 0.00720 0.00751 0.00991 141 4YY -0.01126 -0.00330 0.01112 0.00357 -0.00241 142 4ZZ -0.00419 -0.00322 0.00384 0.00523 0.01304 143 4XY 0.00486 -0.00751 0.00411 -0.00409 -0.00718 144 4XZ -0.00209 0.00138 0.00305 -0.00175 0.01918 145 4YZ 0.00109 0.00877 -0.00326 -0.00249 -0.00364 146 15 C 1S -0.02778 0.00642 0.00288 -0.01040 0.00961 147 2S 0.23151 -0.14073 -0.08540 0.12578 0.07253 148 2PX -0.11905 0.10484 0.08207 -0.03558 0.07090 149 2PY 0.04323 -0.02619 -0.11014 -0.05858 -0.14580 150 2PZ -0.11240 0.00434 0.15929 -0.00577 0.06738 151 3S -0.45964 0.23570 0.18621 -0.00349 -0.00864 152 3PX -0.19334 -0.08957 -0.06914 -0.18817 -0.34301 153 3PY -0.04918 -0.06255 -0.28863 0.01975 0.75038 154 3PZ -0.13974 0.09367 0.29733 -0.21022 -0.61977 155 4XX 0.01949 -0.01030 0.00837 0.01612 0.03369 156 4YY -0.00474 -0.00547 -0.01307 -0.00252 0.01223 157 4ZZ -0.01186 -0.00039 -0.00028 0.00301 -0.01069 158 4XY -0.00720 0.00059 -0.01709 -0.00488 0.02202 159 4XZ -0.00958 -0.00611 0.01293 0.00830 -0.01120 160 4YZ 0.02507 -0.00132 -0.00233 0.00260 -0.01549 161 16 C 1S 0.01632 -0.01091 -0.00199 0.01779 0.02601 162 2S -0.00088 -0.08957 0.20496 0.15900 0.07715 163 2PX -0.08326 0.01709 -0.09824 -0.05799 0.01442 164 2PY -0.13610 0.04812 -0.20362 -0.12719 0.27980 165 2PZ 0.01570 0.00633 -0.10970 -0.02768 0.22987 166 3S 0.07728 0.02070 -0.22578 -0.25364 -0.10759 167 3PX 0.20801 -0.06167 -0.22047 0.13826 0.38752 168 3PY 0.23782 -0.18647 -0.30108 0.11701 0.06679 169 3PZ -0.00007 0.06189 0.01661 0.09976 -0.07941 170 4XX -0.00405 0.00130 -0.01068 0.00170 0.02934 171 4YY 0.02379 -0.02404 0.02745 0.03308 0.02340 172 4ZZ 0.00790 -0.01504 0.02293 0.02018 0.00174 173 4XY 0.01803 -0.01713 0.00654 0.02288 0.01513 174 4XZ 0.01215 -0.01591 -0.00160 0.01823 0.03127 175 4YZ -0.01099 0.00461 -0.01378 -0.01280 -0.01369 176 17 C 1S 0.02224 -0.01487 0.03829 0.02513 -0.03334 177 2S -0.20132 0.06029 0.32396 0.07625 -0.02815 178 2PX 0.29436 -0.22634 0.07909 0.21744 -0.06472 179 2PY -0.13595 0.09251 -0.13909 -0.09929 0.16816 180 2PZ 0.20807 -0.09251 -0.24854 0.07249 0.18493 181 3S 0.03091 0.08462 -0.42610 -0.09234 0.15968 182 3PX -0.28274 0.19065 -0.44064 -0.17131 0.48809 183 3PY -0.08730 0.05031 0.17627 0.09641 -0.04360 184 3PZ 0.01174 -0.07250 -0.17933 -0.01085 0.14988 185 4XX -0.01327 0.00337 0.03584 0.00756 -0.03522 186 4YY -0.01978 0.01153 0.03559 0.00714 -0.00618 187 4ZZ 0.01208 -0.01685 0.04879 0.03485 -0.00886 188 4XY -0.00589 -0.00111 0.05044 0.01483 -0.02424 189 4XZ 0.00552 -0.00547 0.05390 0.02788 -0.04469 190 4YZ -0.01666 0.01579 -0.03030 -0.02686 0.01363 191 18 C 1S -0.07085 0.03788 0.03011 -0.02558 -0.00186 192 2S -0.16900 0.13992 0.11218 -0.07102 -0.01486 193 2PX 0.13003 -0.10613 0.01146 0.10402 0.21154 194 2PY 0.02564 0.07514 -0.29502 -0.15927 0.02554 195 2PZ 0.02406 -0.02827 0.17123 0.10099 -0.31671 196 3S 0.57103 -0.39150 -0.30850 0.07177 -0.05130 197 3PX 0.10527 -0.00962 -0.10925 -0.10416 -0.26638 198 3PY 0.05893 -0.07510 0.59554 0.10767 -0.40957 199 3PZ 0.19881 -0.11908 -0.52545 -0.04180 0.65743 200 4XX 0.00150 -0.00141 0.00778 0.00282 0.01659 201 4YY -0.06628 0.03580 0.05897 -0.01736 -0.03587 202 4ZZ -0.05518 0.04014 -0.00668 -0.03683 0.01129 203 4XY -0.04705 0.02721 0.02348 -0.01586 -0.00065 204 4XZ -0.05117 0.03225 0.02391 -0.02537 -0.00392 205 4YZ 0.06302 -0.03234 -0.02386 0.02605 -0.01110 206 19 C 1S 0.01968 0.00379 -0.04309 -0.01813 0.02936 207 2S -0.05398 0.10054 -0.21646 -0.15696 0.01582 208 2PX 0.17871 -0.08714 -0.29519 0.00936 0.10291 209 2PY 0.43486 -0.23026 -0.09851 0.17661 -0.12807 210 2PZ 0.06141 -0.05911 0.14298 0.07844 -0.20309 211 3S -0.11853 -0.04864 0.40075 0.34063 0.06367 212 3PX -0.27172 0.13956 0.61398 0.01990 -0.43189 213 3PY -0.38881 0.23364 0.40624 -0.24435 -0.25538 214 3PZ -0.21100 0.14014 -0.00427 -0.01003 0.18495 215 4XX -0.02091 0.02002 -0.02929 -0.02654 -0.00184 216 4YY 0.02647 0.00102 -0.06804 -0.01848 0.05011 217 4ZZ 0.00143 0.00850 -0.00259 -0.00813 -0.00042 218 4XY 0.01202 0.00981 -0.04488 -0.02023 0.02272 219 4XZ -0.00623 0.01754 -0.03562 -0.02567 0.03985 220 4YZ -0.01752 -0.00175 0.03849 0.01277 0.00957 221 20 C 1S 0.04424 -0.02134 -0.02565 0.01688 -0.02025 222 2S 0.14487 -0.04585 -0.33422 -0.06431 -0.02651 223 2PX -0.17939 0.06079 0.01817 -0.06540 -0.39040 224 2PY 0.12538 -0.08853 0.11543 0.11002 0.04705 225 2PZ -0.09230 -0.05529 0.28793 0.10986 0.04654 226 3S -0.25922 0.09005 0.39432 -0.18392 -0.13261 227 3PX 0.14638 -0.00634 0.33018 0.09384 0.19684 228 3PY -0.04681 0.08057 -0.04594 0.09832 -0.02618 229 3PZ -0.03241 0.10005 0.08202 -0.23385 -0.52879 230 4XX 0.02346 -0.01411 -0.00458 0.01128 -0.00552 231 4YY 0.02373 -0.00506 -0.05144 -0.00980 -0.02237 232 4ZZ 0.04483 -0.01966 -0.04960 -0.00090 -0.01628 233 4XY 0.03475 -0.02179 -0.01399 0.01304 -0.01531 234 4XZ 0.05392 -0.02360 -0.05590 0.00640 -0.02631 235 4YZ -0.03341 0.00932 0.01834 -0.00580 0.00641 236 21 H 1S 0.18042 -0.07538 -0.11862 0.04063 -0.10317 237 2S -0.01754 -0.02673 -0.11064 -0.12460 -0.04817 238 22 H 1S 0.05448 0.03695 -0.16208 -0.08401 0.09805 239 2S -0.07793 0.05381 -0.02933 -0.00513 0.02530 240 23 H 1S -0.25404 0.15006 0.13135 -0.09987 -0.01122 241 2S 0.07185 -0.01842 -0.00580 -0.01998 -0.02184 242 24 H 1S 0.03459 -0.03195 0.19495 0.10174 -0.10760 243 2S -0.14665 0.07476 0.11234 0.02261 0.02137 244 25 H 1S 0.07515 -0.06295 0.01949 0.08411 0.11657 245 2S -0.03489 -0.06752 0.00615 -0.04049 -0.10630 246 26 O 1S 0.00112 0.00103 -0.00210 -0.00055 0.00964 247 2S -0.01528 0.01306 0.00760 0.00033 0.01743 248 2PX 0.02305 0.00154 -0.00440 0.00259 -0.04010 249 2PY 0.04029 -0.01975 0.01841 0.02255 -0.05754 250 2PZ 0.01584 -0.00072 -0.02225 0.00036 -0.04506 251 3S 0.02087 -0.03603 0.00247 -0.02950 -0.36488 252 3PX -0.01764 -0.00286 -0.02409 0.02492 0.12616 253 3PY 0.00953 0.00933 0.00466 -0.01614 -0.07702 254 3PZ 0.03932 -0.00489 -0.01545 0.03040 0.15902 255 4XX -0.00706 0.00549 0.00298 -0.00351 0.00142 256 4YY -0.00048 0.00585 0.00204 0.00045 0.01498 257 4ZZ -0.00160 0.00595 -0.00738 -0.00491 -0.00715 258 4XY -0.00258 0.00383 0.00129 -0.00341 -0.01475 259 4XZ 0.00605 -0.00233 -0.00301 0.00543 -0.01607 260 4YZ -0.00124 -0.00182 0.00750 0.00070 -0.00297 261 27 H 1S -0.02171 0.01024 0.01263 -0.02825 0.02434 262 2S 0.02588 -0.00401 0.00500 -0.00534 -0.09231 263 28 H 1S 0.04229 -0.02144 0.02816 -0.00278 -0.07513 264 2S 0.08475 -0.03840 -0.01805 0.05588 0.15722 111 112 113 114 115 V V V V V Eigenvalues -- 0.87762 0.88562 0.89036 0.90858 0.91714 1 1 C 1S -0.00649 0.01241 0.00281 0.02852 -0.02240 2 2S -0.12634 0.01353 0.10848 -0.02870 0.16486 3 2PX -0.03672 0.19943 0.02792 -0.05566 -0.06254 4 2PY 0.12467 0.10632 -0.03226 0.01038 -0.07896 5 2PZ -0.54471 -0.38661 0.14056 0.06701 -0.32857 6 3S 0.19321 -0.56057 -0.32990 0.24586 -0.67644 7 3PX 0.02028 -0.52918 -0.18520 0.34337 -0.07183 8 3PY -0.15921 0.21250 0.05068 0.35398 -0.03644 9 3PZ 1.10271 0.60960 0.10449 -0.27479 1.23673 10 4XX -0.01790 -0.00770 0.03841 0.03745 -0.02416 11 4YY -0.00906 0.00091 -0.03545 -0.00477 -0.01504 12 4ZZ 0.00339 -0.00407 0.02152 0.01318 0.03006 13 4XY -0.02109 0.00268 0.00429 0.02191 -0.02045 14 4XZ 0.00316 -0.01101 0.00817 -0.01694 0.01659 15 4YZ 0.00355 0.01497 -0.00012 0.00231 -0.01043 16 2 C 1S 0.00977 -0.00164 -0.01055 -0.01702 0.02444 17 2S -0.11739 -0.05286 0.02573 0.29028 -0.29665 18 2PX 0.09891 -0.12103 -0.22557 -0.19247 0.18112 19 2PY -0.02593 0.02990 0.08150 0.22405 -0.06606 20 2PZ 0.02426 -0.12784 -0.06358 0.30304 -0.03339 21 3S 0.31536 0.85116 0.20378 -0.38799 0.45582 22 3PX -0.35513 0.19324 0.26238 0.81191 -0.85764 23 3PY -0.06379 -0.73160 -0.48368 -0.77495 0.18032 24 3PZ -0.10152 0.36992 0.24044 -0.52868 0.33315 25 4XX 0.00381 0.04140 0.00725 0.02202 0.01732 26 4YY -0.00969 -0.03009 -0.02264 0.00455 -0.01269 27 4ZZ 0.00212 -0.00631 0.01581 0.01172 -0.03655 28 4XY 0.01789 0.01124 -0.00377 -0.00579 0.01613 29 4XZ -0.02503 -0.03979 -0.00177 0.00340 -0.00262 30 4YZ -0.01540 0.00856 0.01249 0.02797 -0.01116 31 3 C 1S 0.00274 -0.00519 -0.00478 -0.00926 0.01496 32 2S -0.06161 -0.03139 -0.07291 -0.11210 0.07083 33 2PX 0.06738 -0.13691 -0.03833 0.08676 -0.08145 34 2PY -0.10388 -0.18190 -0.00580 -0.00629 0.08387 35 2PZ 0.04062 0.01086 -0.04045 0.21870 0.09753 36 3S 0.04910 -0.43528 -0.36174 -0.44157 -0.13128 37 3PX 0.02898 0.72346 0.47819 0.45742 -0.38990 38 3PY 0.22421 -0.01060 0.45940 -0.16612 0.44804 39 3PZ 0.02604 -0.19869 -0.19282 -0.44940 -0.08132 40 4XX -0.00401 -0.02832 -0.02465 -0.03840 0.00396 41 4YY -0.00022 -0.01634 -0.01393 -0.01947 0.02341 42 4ZZ -0.01281 0.01147 0.00125 0.00739 0.00399 43 4XY -0.00090 0.00619 0.02254 0.01700 -0.00227 44 4XZ 0.01120 0.02109 0.02475 0.02548 -0.02474 45 4YZ -0.00179 -0.01183 -0.00623 0.00723 -0.01972 46 4 C 1S -0.00544 -0.02488 -0.01021 -0.00952 -0.01130 47 2S -0.04312 -0.15064 -0.07183 -0.15506 0.10279 48 2PX 0.16540 0.11804 0.19487 0.10847 -0.21796 49 2PY 0.01196 -0.15659 0.00706 -0.10763 -0.04710 50 2PZ 0.26810 -0.16405 0.16218 -0.20510 -0.21177 51 3S 0.09480 0.04139 0.26541 0.27141 0.19033 52 3PX -0.22612 -0.08309 0.30301 0.16123 0.21318 53 3PY -0.05275 0.32431 -0.23579 0.13447 -0.32096 54 3PZ -0.42806 0.20421 -0.39552 0.09394 0.49775 55 4XX -0.01207 -0.02971 -0.00139 -0.01749 0.00838 56 4YY -0.01480 -0.04560 -0.02931 -0.04087 0.01619 57 4ZZ 0.00983 0.00402 0.00788 0.01160 -0.00410 58 4XY -0.00261 0.01046 -0.00728 -0.00280 -0.00967 59 4XZ -0.00674 0.03607 0.00693 0.00053 0.00886 60 4YZ 0.00639 0.00722 0.00764 0.02191 0.00698 61 5 C 1S 0.00360 0.02194 0.01174 0.01504 0.00279 62 2S -0.03256 -0.07066 -0.01321 -0.00294 -0.02306 63 2PX -0.16119 0.20431 0.00373 -0.06950 0.07575 64 2PY -0.05623 -0.00196 -0.01710 -0.07123 0.08408 65 2PZ -0.37857 0.28420 -0.01293 -0.20912 0.23003 66 3S 0.08804 0.27120 -0.16671 0.03459 -0.45431 67 3PX 0.28670 -0.18665 0.40837 0.37589 0.12139 68 3PY 0.02929 -0.09800 -0.51272 -0.22359 0.04965 69 3PZ 0.47742 -0.40351 -0.06034 0.31561 -0.52110 70 4XX -0.00222 0.00785 0.00102 0.00635 0.00090 71 4YY 0.01748 0.02041 0.01472 0.01554 -0.02278 72 4ZZ -0.01720 -0.00832 -0.01069 -0.00525 0.00341 73 4XY 0.00106 -0.02851 -0.00260 -0.02578 0.00452 74 4XZ 0.00807 -0.01433 -0.00422 0.00398 0.00320 75 4YZ 0.02301 -0.00658 0.01798 -0.02077 -0.00572 76 6 C 1S -0.01243 -0.00175 -0.00878 -0.00562 -0.01272 77 2S 0.00597 0.02468 0.03182 0.06929 -0.04883 78 2PX -0.08844 0.01901 -0.12818 0.16676 0.00441 79 2PY -0.01042 0.09521 -0.05071 0.13945 -0.04460 80 2PZ -0.15434 -0.08808 -0.24550 0.41679 -0.02421 81 3S 0.15247 -0.04689 0.18600 0.03113 0.50396 82 3PX -0.05598 -0.04932 -0.33983 -0.55990 -0.26390 83 3PY -0.05689 -0.24752 -0.25950 -0.45909 0.37857 84 3PZ 0.28428 0.15380 0.62866 -0.46538 0.08584 85 4XX -0.01787 0.01688 0.00658 -0.00119 0.00578 86 4YY -0.02058 -0.00307 -0.00528 0.00368 -0.00073 87 4ZZ 0.02691 -0.01249 0.00352 0.00871 -0.01110 88 4XY -0.00829 0.01416 -0.01010 0.00449 0.00398 89 4XZ 0.00012 0.00789 0.00733 -0.00862 0.01179 90 4YZ -0.02562 0.01576 -0.00762 0.00660 0.01290 91 7 C 1S 0.00115 -0.01516 0.00656 0.00220 0.01241 92 2S 0.07296 0.06324 0.08731 0.06680 0.01053 93 2PX 0.08191 -0.20460 -0.04874 -0.14708 -0.10916 94 2PY 0.13158 0.02782 0.08876 0.01426 -0.03364 95 2PZ 0.45355 -0.24854 0.17642 -0.16556 -0.22211 96 3S -0.17057 0.14902 -0.45143 -0.11781 -0.60959 97 3PX -0.33189 0.05075 -0.50565 -0.19206 0.26158 98 3PY -0.19325 0.16806 -0.22940 0.03478 -0.40494 99 3PZ -0.51047 0.39828 -0.01220 0.45283 0.38100 100 4XX 0.00793 -0.01543 -0.01259 0.01764 -0.02192 101 4YY 0.00895 -0.00920 0.01579 0.00922 0.01595 102 4ZZ -0.00296 0.02087 0.01110 -0.01325 0.00280 103 4XY 0.00804 0.00779 0.00886 0.00758 -0.00501 104 4XZ -0.00412 -0.00179 -0.01037 0.01475 -0.00477 105 4YZ 0.00704 -0.00502 -0.00619 -0.00564 -0.00673 106 8 C 1S 0.01813 0.02443 0.00786 0.01332 -0.00477 107 2S 0.04976 0.08706 0.01089 -0.01667 0.02929 108 2PX 0.01583 -0.01601 0.02943 -0.04665 0.19735 109 2PY 0.01887 0.07518 0.08976 -0.01917 0.15707 110 2PZ -0.09843 0.23462 0.07797 -0.18831 0.19532 111 3S -0.14272 -0.26718 0.22924 -0.15352 0.56033 112 3PX 0.06239 -0.38103 -0.03356 -0.16289 0.30351 113 3PY 0.14810 0.03783 0.46665 0.30439 -0.11581 114 3PZ 0.14546 -0.24067 -0.17214 0.24926 -0.52487 115 4XX 0.02753 0.01465 0.02294 0.00335 0.01706 116 4YY 0.01728 0.04921 0.00682 0.01196 -0.00274 117 4ZZ -0.01664 -0.01120 -0.00889 -0.00445 -0.00899 118 4XY -0.00685 -0.01115 -0.01755 -0.00529 0.00004 119 4XZ -0.00466 -0.01520 -0.00369 -0.01242 -0.00888 120 4YZ -0.01233 -0.00404 -0.00242 0.00848 0.01018 121 9 H 1S 0.07115 0.06284 0.05441 0.03743 0.05826 122 2S 0.12690 -0.12424 0.11863 -0.02947 0.30753 123 10 H 1S -0.00508 -0.05807 0.04279 -0.00190 0.06037 124 2S -0.03001 0.05417 -0.12071 -0.04819 -0.22840 125 11 H 1S -0.06879 -0.02766 -0.01764 -0.04066 -0.01493 126 2S 0.05173 -0.01766 0.06965 0.05029 0.15942 127 12 H 1S -0.02590 0.04438 0.01291 0.00290 0.02405 128 2S -0.00927 -0.04104 -0.08425 -0.03789 -0.15717 129 13 H 1S -0.05272 -0.14017 -0.09026 -0.12607 0.01857 130 2S 0.01056 -0.06595 0.09029 -0.03451 0.25807 131 14 O 1S -0.00621 -0.00605 -0.00008 0.00241 -0.01022 132 2S 0.02025 0.03624 -0.02355 -0.04186 0.13332 133 2PX -0.07799 -0.11179 -0.02674 -0.08452 0.02496 134 2PY 0.03455 0.04998 0.05044 0.09195 -0.04667 135 2PZ 0.12098 0.02323 0.01799 0.02489 -0.01534 136 3S -0.01021 0.26415 0.25953 0.31676 -0.18152 137 3PX 0.02783 -0.02400 -0.03044 -0.07303 0.07232 138 3PY -0.03686 -0.06553 -0.02621 -0.00526 -0.09333 139 3PZ 0.01176 0.06235 0.01322 0.10036 0.02261 140 4XX -0.00269 0.01265 -0.00671 -0.01790 0.03710 141 4YY 0.00124 0.03499 0.01476 -0.00435 0.02796 142 4ZZ 0.00021 -0.00373 -0.01094 0.01343 0.03440 143 4XY -0.02121 -0.00791 0.00983 -0.00166 -0.00641 144 4XZ 0.00695 0.00571 -0.00885 -0.01645 0.02063 145 4YZ 0.01490 -0.01193 -0.01374 -0.03418 0.01322 146 15 C 1S 0.01581 0.01818 0.01304 0.01592 0.00877 147 2S 0.07963 0.02764 0.10029 0.17460 -0.04197 148 2PX 0.03904 0.01673 0.14117 0.03318 -0.30633 149 2PY -0.24947 0.00138 -0.12996 0.22883 -0.22447 150 2PZ -0.00172 0.12031 0.18456 0.24604 0.09673 151 3S 0.19024 -0.39700 -0.39088 -0.32926 0.75941 152 3PX 0.04365 0.57381 0.17439 0.47689 0.37439 153 3PY -0.29547 -0.42172 0.77485 -0.20514 0.37333 154 3PZ 0.38833 0.73644 -0.39847 0.17712 -0.52944 155 4XX 0.01593 0.00459 -0.01844 -0.01114 0.01813 156 4YY 0.01518 -0.00083 0.02143 0.03425 0.00189 157 4ZZ 0.01108 0.01110 0.02554 0.03144 -0.00632 158 4XY 0.02224 -0.00623 0.01711 0.00089 0.04790 159 4XZ 0.02356 0.01045 -0.00849 0.01275 0.01423 160 4YZ -0.00460 -0.03126 -0.01506 -0.03249 0.01295 161 16 C 1S 0.01484 -0.01365 0.02159 -0.01584 0.03924 162 2S 0.06416 -0.00106 0.21148 0.12538 0.14097 163 2PX 0.08246 -0.17923 -0.02324 0.13295 0.16906 164 2PY -0.07986 0.04815 0.36018 0.08277 0.04147 165 2PZ -0.11393 0.03437 0.30469 0.01561 -0.03162 166 3S 0.09636 0.73565 0.09979 0.28567 -0.38939 167 3PX -0.63514 -0.69655 0.23034 -0.53541 0.04888 168 3PY -0.74672 -0.68205 0.03591 -0.16867 -0.09633 169 3PZ 0.13651 -0.55377 -0.61704 -0.41169 0.36311 170 4XX 0.00279 0.00438 0.01745 0.00758 -0.01990 171 4YY 0.02189 0.00314 0.03810 0.00169 0.05100 172 4ZZ 0.00273 -0.01297 0.03572 0.01518 0.02981 173 4XY 0.02702 0.00973 0.02994 -0.00187 0.03172 174 4XZ 0.00499 -0.00364 0.04299 0.00863 0.03427 175 4YZ -0.01248 0.01644 -0.00895 0.02149 -0.02028 176 17 C 1S -0.00740 0.01541 -0.01840 0.00233 -0.02514 177 2S 0.00226 0.01085 0.07755 -0.04666 0.12333 178 2PX -0.05761 -0.07011 0.38346 0.14354 0.31869 179 2PY 0.04881 0.02907 -0.08741 -0.08501 -0.08580 180 2PZ 0.06772 0.01562 -0.13820 -0.13763 -0.04842 181 3S 0.24919 -0.49976 -0.51191 -0.48950 0.38053 182 3PX -0.62458 -0.80450 -0.22979 -0.56089 -0.22243 183 3PY 0.01881 -0.49883 0.00245 -0.19557 0.60689 184 3PZ -0.98953 -0.86682 0.63569 0.06854 0.06675 185 4XX 0.00860 -0.00881 -0.02888 -0.00175 0.01674 186 4YY -0.00473 -0.00856 0.00028 0.00332 -0.00621 187 4ZZ -0.00789 0.02121 0.00422 -0.02808 0.00152 188 4XY -0.01616 0.01557 -0.00519 -0.00370 -0.02553 189 4XZ 0.00854 -0.00034 -0.05012 -0.02022 -0.00353 190 4YZ -0.00014 0.00418 -0.00683 -0.00405 -0.01847 191 18 C 1S -0.00920 -0.01212 -0.00146 -0.00232 -0.00467 192 2S -0.06545 -0.05531 -0.05768 -0.08824 0.00619 193 2PX -0.11486 0.25199 0.05753 -0.26091 -0.25592 194 2PY 0.11651 -0.19778 0.00812 0.12545 0.25063 195 2PZ 0.07283 -0.20124 -0.15583 0.13248 0.22316 196 3S -0.04144 0.50565 0.31560 0.41983 -0.42459 197 3PX -0.00258 -0.14162 0.09739 0.62565 0.13817 198 3PY 0.72548 1.34468 -0.30413 0.12995 -0.56689 199 3PZ -0.96517 -0.33592 0.66437 -0.19296 -0.57116 200 4XX -0.01488 0.02027 0.01196 0.00135 -0.01112 201 4YY -0.02076 -0.01453 0.00571 -0.00124 -0.01410 202 4ZZ 0.00329 -0.01565 -0.02076 -0.00451 -0.00152 203 4XY -0.00915 0.00242 -0.01821 0.00636 -0.02059 204 4XZ -0.01590 -0.00569 0.02418 0.01199 -0.01233 205 4YZ 0.01308 -0.00149 0.00711 0.01628 0.00738 206 19 C 1S -0.00940 -0.00646 0.02093 0.00480 -0.00553 207 2S -0.02427 0.01769 -0.08157 0.02981 -0.03888 208 2PX 0.17582 0.09188 -0.38009 0.11574 0.13638 209 2PY 0.07352 0.11532 0.11471 -0.02026 -0.03536 210 2PZ -0.06241 0.06913 0.18184 -0.02765 -0.15453 211 3S 0.22544 -0.60273 -0.26562 -0.70211 0.69476 212 3PX 0.62144 0.48126 0.01468 -0.31030 0.05131 213 3PY 0.88733 0.90880 -0.55594 0.23974 0.00956 214 3PZ 0.39647 -0.26505 -0.62955 -0.26411 0.62575 215 4XX -0.00177 -0.02227 0.00338 0.00669 0.01854 216 4YY -0.00709 -0.00142 -0.00852 -0.02775 0.00400 217 4ZZ 0.00286 0.00084 0.00501 0.01008 -0.00836 218 4XY -0.00677 -0.04410 0.01623 -0.01920 0.02668 219 4XZ -0.00817 -0.00058 0.01135 -0.00428 -0.00501 220 4YZ -0.00790 0.00000 0.00391 -0.02355 -0.00040 221 20 C 1S 0.00530 0.00064 -0.03592 -0.00660 -0.00167 222 2S 0.09796 0.15451 -0.05506 0.13484 -0.06282 223 2PX 0.12780 0.04307 0.06911 0.27235 0.02734 224 2PY -0.03616 0.10847 -0.14683 -0.07154 -0.13626 225 2PZ 0.12079 0.35180 -0.16221 0.02442 -0.11966 226 3S -0.65845 0.05575 0.43926 0.40242 -0.63329 227 3PX 0.66736 0.41898 -0.66097 -0.48639 0.12940 228 3PY 0.17898 -0.56971 -0.18483 -0.39250 0.52465 229 3PZ 0.69744 0.61017 -0.01204 0.19417 0.13869 230 4XX 0.00205 0.01649 0.00691 0.00105 -0.02329 231 4YY 0.02791 0.02977 -0.02022 0.02595 -0.00249 232 4ZZ -0.01482 0.00189 -0.03944 0.00710 -0.01775 233 4XY 0.01324 0.03116 -0.02461 0.02073 -0.01324 234 4XZ -0.00429 0.00396 -0.02806 0.00987 -0.01917 235 4YZ -0.00035 0.00824 0.02434 0.02158 0.00601 236 21 H 1S 0.08236 0.11597 -0.13965 0.06273 -0.04436 237 2S -0.00685 0.35566 0.26196 0.30844 -0.15706 238 22 H 1S 0.00430 0.01910 0.06772 0.07093 -0.02850 239 2S 0.04821 -0.19709 -0.15286 -0.21812 0.22692 240 23 H 1S -0.05213 -0.01584 0.02906 0.05425 -0.06244 241 2S -0.05085 0.10255 0.03708 0.06947 -0.14084 242 24 H 1S -0.05019 0.02800 -0.01740 0.03727 -0.08218 243 2S 0.08636 -0.15370 -0.10226 -0.19022 0.26508 244 25 H 1S 0.01077 -0.07167 0.17623 -0.00379 0.14695 245 2S -0.07536 0.28639 0.16621 0.25680 -0.24035 246 26 O 1S -0.00072 -0.00731 0.00690 -0.00472 0.00648 247 2S 0.03438 0.16202 -0.03181 0.12772 0.05926 248 2PX -0.05926 0.06355 -0.05406 0.00347 0.00713 249 2PY -0.02313 -0.08429 -0.10548 0.02323 -0.14286 250 2PZ -0.05047 -0.03844 -0.05178 -0.07544 -0.04914 251 3S -0.40821 -0.22481 0.01626 -0.13491 -0.43811 252 3PX 0.10775 -0.00923 0.09122 -0.04455 0.04213 253 3PY -0.05499 0.07813 0.00719 -0.02078 -0.04699 254 3PZ 0.03735 -0.11368 -0.00357 -0.04099 0.14189 255 4XX 0.03160 0.05624 -0.01978 0.02085 0.01796 256 4YY 0.00292 0.05019 -0.00596 0.04406 0.03279 257 4ZZ -0.04669 0.03076 0.00591 0.03758 -0.00118 258 4XY 0.00718 0.01795 -0.02123 -0.02259 0.00797 259 4XZ -0.04665 -0.01847 -0.02238 0.00051 -0.00256 260 4YZ 0.05447 0.01577 -0.03046 0.00236 0.01551 261 27 H 1S 0.10967 0.01661 0.10366 -0.01331 -0.04789 262 2S -0.25945 -0.06098 0.02132 0.16578 -0.09086 263 28 H 1S -0.00042 0.04129 -0.12639 0.08532 -0.16732 264 2S -0.20941 -0.15812 0.09157 0.10271 -0.12241 116 117 118 119 120 V V V V V Eigenvalues -- 0.94159 0.95206 0.98533 0.99708 1.01389 1 1 C 1S 0.02627 -0.00072 -0.00221 0.00014 0.01235 2 2S -0.04535 0.06859 -0.13223 -0.06788 0.00247 3 2PX -0.01735 0.20943 0.00004 -0.24424 -0.10051 4 2PY -0.03590 0.03006 0.11381 0.04557 -0.41863 5 2PZ 0.28317 -0.05653 -0.06508 -0.12312 0.04427 6 3S 0.22789 -0.13711 0.59211 0.69274 -0.76083 7 3PX 0.07619 -0.47383 0.20043 1.21271 0.16348 8 3PY -0.00055 -0.21536 -0.40088 0.17873 1.72116 9 3PZ -0.65406 0.13959 0.11592 0.25880 -0.10124 10 4XX 0.02774 -0.01690 -0.00507 -0.02069 -0.04859 11 4YY -0.00645 0.03194 -0.00284 0.00256 0.01374 12 4ZZ 0.00726 -0.00768 0.00707 0.06852 0.01087 13 4XY 0.01190 0.00783 0.00797 0.01845 0.00988 14 4XZ -0.00844 0.01969 -0.01137 -0.01363 -0.01430 15 4YZ 0.01433 0.00708 -0.00925 -0.03868 -0.02768 16 2 C 1S 0.00082 -0.02728 0.01357 0.00421 -0.02833 17 2S -0.02896 0.37374 0.02187 0.22201 0.04572 18 2PX -0.21641 0.16712 0.06495 0.12843 -0.02409 19 2PY -0.13856 0.68520 -0.29238 0.01172 0.16790 20 2PZ 0.23389 -0.23349 0.16887 0.40690 -0.09370 21 3S -0.51065 0.69901 -0.33364 -0.99785 -0.42929 22 3PX 0.35103 -0.19437 -0.26300 0.28302 0.17815 23 3PY -0.26932 -0.30580 0.39645 -0.17373 -1.65852 24 3PZ -0.16279 -0.08467 -0.46662 -1.03959 0.47080 25 4XX -0.01043 0.04465 0.00142 0.02619 0.05348 26 4YY -0.00063 0.00053 0.01755 0.00718 -0.09517 27 4ZZ -0.01131 0.02265 0.00037 -0.01250 -0.03471 28 4XY -0.00298 -0.01214 -0.00918 0.00151 0.00867 29 4XZ 0.02134 -0.02600 -0.01765 0.00591 0.02570 30 4YZ -0.00640 0.04217 -0.01453 0.03475 0.10137 31 3 C 1S -0.00220 0.00258 -0.00200 -0.00056 0.00395 32 2S -0.04713 0.07913 0.10024 -0.04602 -0.06528 33 2PX -0.07399 -0.26186 -0.14006 0.02964 -0.31826 34 2PY 0.03604 -0.11331 -0.16188 -0.09229 -0.24561 35 2PZ -0.25627 -0.10843 -0.35813 0.07893 -0.27235 36 3S -0.24534 -0.24831 0.34756 0.18180 -0.33128 37 3PX 0.46558 -0.18683 0.49844 0.23634 1.21094 38 3PY 0.61216 -0.66388 0.27514 -0.22212 0.55586 39 3PZ -0.02117 0.62210 0.60977 -0.18816 0.22001 40 4XX -0.03504 0.01217 0.03010 0.00616 -0.01283 41 4YY 0.01256 -0.00753 -0.00264 -0.01720 0.01943 42 4ZZ 0.00520 0.00472 0.00173 0.01151 -0.02034 43 4XY 0.00906 0.02515 -0.03010 -0.01700 0.01679 44 4XZ -0.00062 -0.00260 -0.00283 -0.01388 0.02267 45 4YZ 0.01067 -0.01080 0.00399 0.01068 -0.00654 46 4 C 1S -0.00697 -0.00465 0.00648 0.00628 -0.01066 47 2S -0.10090 0.14787 -0.08147 -0.08855 -0.08611 48 2PX 0.14093 -0.26474 0.14665 -0.11445 0.13430 49 2PY -0.05188 0.07526 -0.03651 -0.18641 -0.06092 50 2PZ -0.14101 0.04792 0.11849 -0.32694 0.30876 51 3S 0.45069 -0.31912 -0.39375 -0.31115 -0.50932 52 3PX 0.64589 -0.71929 -0.19528 0.16096 -0.24592 53 3PY -0.17244 -0.12018 0.42203 0.66157 0.13244 54 3PZ -0.04089 0.36261 -0.49559 0.54835 -0.71801 55 4XX 0.02497 -0.01201 -0.01575 -0.01526 -0.03958 56 4YY -0.04493 0.04407 -0.00754 -0.00607 -0.01412 57 4ZZ -0.00609 0.00197 -0.00823 -0.01146 0.00563 58 4XY -0.00656 -0.00993 0.01943 0.00234 -0.02452 59 4XZ 0.01297 0.02097 0.01251 0.02235 0.03229 60 4YZ 0.00804 -0.01711 -0.02038 -0.01746 0.00903 61 5 C 1S 0.01023 -0.00320 -0.00204 0.00099 0.01072 62 2S 0.00921 -0.02556 -0.01920 0.01147 -0.01598 63 2PX 0.14851 0.02221 0.05204 0.16909 -0.07336 64 2PY 0.04280 0.07611 -0.05381 0.08488 0.02546 65 2PZ 0.30803 0.18723 -0.08553 0.31180 -0.16918 66 3S -0.12438 -0.31577 0.57598 0.31349 -0.00158 67 3PX 0.27099 -0.41796 -0.43084 -0.67220 0.11142 68 3PY -0.96267 1.13836 -0.04674 -0.06842 0.16387 69 3PZ -0.59631 -0.42873 0.43774 -0.56179 0.42861 70 4XX -0.00774 0.00188 0.00115 0.00610 0.01335 71 4YY 0.02163 -0.03441 0.01195 0.00950 -0.00083 72 4ZZ -0.00598 0.01357 0.00537 0.00324 0.00028 73 4XY -0.01750 0.02921 -0.01062 -0.00732 -0.00780 74 4XZ -0.00202 -0.01187 -0.01718 -0.01208 -0.01951 75 4YZ 0.00969 -0.00144 -0.00466 -0.00613 -0.00142 76 6 C 1S -0.00656 0.00176 0.01448 0.00189 -0.00619 77 2S 0.01731 -0.02668 0.00934 0.05139 0.00786 78 2PX -0.13930 -0.06498 0.01040 -0.12480 0.08501 79 2PY -0.07137 -0.04522 0.06963 -0.01090 0.06545 80 2PZ -0.35917 -0.16915 0.08856 -0.22770 0.08757 81 3S 0.22645 0.06146 -0.55670 -0.34521 0.01829 82 3PX -0.49094 0.89266 0.38902 0.60731 -0.11341 83 3PY -0.48388 1.18935 -0.44075 0.04809 0.11272 84 3PZ 1.11618 -0.20937 -0.30279 0.43445 -0.31819 85 4XX 0.00442 -0.00573 -0.00587 -0.00922 0.00804 86 4YY -0.00054 0.00649 -0.00353 -0.00066 -0.01484 87 4ZZ 0.00248 -0.00079 0.00243 0.00935 0.00608 88 4XY 0.00085 -0.00852 0.00360 0.01053 0.00103 89 4XZ -0.00421 -0.00490 -0.00975 -0.00943 -0.00467 90 4YZ 0.00488 0.00705 0.00374 0.00890 0.00650 91 7 C 1S 0.00472 0.00537 -0.02071 -0.00705 -0.00354 92 2S 0.03311 0.01547 -0.07534 -0.00456 0.06027 93 2PX 0.05728 0.12813 0.04469 0.11659 -0.03682 94 2PY 0.10621 0.02380 -0.07414 0.02363 0.05611 95 2PZ 0.28550 0.17868 -0.00225 0.26828 -0.03676 96 3S -0.53542 0.09715 0.79462 0.48053 -0.09030 97 3PX -1.00349 1.09611 -0.09544 -0.14796 0.27059 98 3PY -0.27531 -0.33671 0.66802 0.17714 -0.17284 99 3PZ -0.12149 -0.80237 0.00773 -0.66335 0.10488 100 4XX -0.03190 0.01996 0.01803 0.02270 -0.00781 101 4YY 0.02517 -0.00801 -0.04102 -0.02180 0.00620 102 4ZZ 0.00376 -0.00248 0.00612 0.00233 0.00011 103 4XY 0.00930 -0.00844 0.01856 0.00487 0.01336 104 4XZ 0.00004 -0.01075 0.00333 -0.00538 0.00444 105 4YZ -0.00366 0.01277 0.01857 0.01181 0.00742 106 8 C 1S 0.00577 -0.00241 -0.00866 0.00036 0.01218 107 2S 0.04184 -0.06961 0.12335 -0.01356 0.08910 108 2PX 0.00881 0.02587 -0.25173 -0.14471 0.01802 109 2PY 0.17740 -0.19132 -0.07942 -0.13657 0.12099 110 2PZ -0.04393 -0.05884 0.11909 -0.16975 0.00891 111 3S 0.01530 0.43047 -0.39630 -0.20438 0.46331 112 3PX 0.07417 0.27126 -0.33219 -0.08228 -0.15328 113 3PY 0.59787 -0.91783 0.15068 0.10784 -0.16671 114 3PZ -0.08502 0.16412 -0.13584 0.50840 -0.17805 115 4XX 0.04245 -0.02612 -0.01865 -0.00953 0.01585 116 4YY -0.01939 0.01996 0.03345 0.01979 0.03750 117 4ZZ -0.00136 -0.01358 0.01014 -0.01083 -0.01285 118 4XY -0.00057 -0.02369 0.01082 0.00099 -0.01275 119 4XZ -0.01286 0.03028 0.02308 0.02547 -0.00720 120 4YZ -0.01694 -0.00366 -0.01229 -0.00116 -0.02776 121 9 H 1S 0.13501 -0.13516 -0.09388 -0.07914 0.05729 122 2S 0.20637 -0.06512 -0.31795 -0.16418 -0.09108 123 10 H 1S 0.05859 -0.02721 -0.10828 -0.07168 -0.02431 124 2S -0.21349 0.05140 0.36264 0.19306 -0.07100 125 11 H 1S -0.01749 0.02501 0.04662 -0.02261 -0.02530 126 2S 0.10302 -0.00900 -0.25900 -0.09377 0.05934 127 12 H 1S -0.01241 0.05983 0.00503 0.00471 0.07715 128 2S -0.02144 -0.17131 0.22142 0.13167 -0.05751 129 13 H 1S -0.13709 0.13274 0.01444 0.02490 -0.02985 130 2S 0.09601 0.11886 -0.30825 -0.29425 0.00348 131 14 O 1S -0.01618 0.04212 -0.01156 -0.00464 -0.01094 132 2S 0.05872 -0.15083 0.01849 0.05679 0.07855 133 2PX 0.02206 0.01087 0.00334 -0.02496 0.02290 134 2PY -0.00614 0.09745 -0.01694 0.09202 0.27736 135 2PZ 0.02604 -0.04959 0.07083 -0.00371 -0.10050 136 3S 0.23083 -0.21354 -0.09769 -0.00211 0.89216 137 3PX -0.03858 0.02427 0.03511 -0.04583 -0.01771 138 3PY -0.21002 0.52450 -0.12452 -0.14217 -0.49993 139 3PZ 0.14387 -0.27387 0.07930 0.22018 0.28527 140 4XX 0.03254 -0.06717 0.02294 0.01923 0.03618 141 4YY -0.01454 0.03704 -0.03851 0.00461 0.10097 142 4ZZ 0.01134 -0.01683 -0.00900 0.04509 0.03309 143 4XY 0.01941 -0.00481 -0.00672 -0.02021 0.00024 144 4XZ -0.00685 0.01498 0.00113 -0.00252 -0.02205 145 4YZ 0.00455 -0.08112 0.03224 -0.01501 -0.08260 146 15 C 1S -0.00178 0.01022 -0.00791 -0.00355 -0.00769 147 2S 0.17091 0.05253 -0.04096 -0.01845 -0.12090 148 2PX 0.11624 0.00051 0.02290 -0.11061 -0.45044 149 2PY 0.15126 0.11413 0.05222 -0.01898 0.11675 150 2PZ 0.15846 0.08326 -0.09275 -0.03542 0.12519 151 3S -0.42416 -0.26899 -0.18531 0.39350 0.26859 152 3PX -0.16989 -0.09105 -0.51613 0.24435 1.26684 153 3PY -0.04938 -0.13917 -0.01184 0.02358 -0.50826 154 3PZ -0.12476 -0.12982 0.08345 0.20695 0.50538 155 4XX 0.00502 0.01620 0.02379 0.01885 0.02047 156 4YY 0.02894 0.00182 -0.03964 -0.02216 -0.03568 157 4ZZ 0.00003 0.00073 0.00257 0.00790 -0.00551 158 4XY -0.02795 -0.00537 0.00212 0.02398 -0.00065 159 4XZ 0.00798 -0.01085 -0.02174 0.00437 0.01389 160 4YZ -0.01607 -0.03643 0.00409 0.02125 0.04072 161 16 C 1S -0.00680 -0.00598 -0.01078 -0.00526 -0.00203 162 2S 0.05828 0.02325 -0.19514 -0.01111 -0.05480 163 2PX 0.24561 -0.04421 -0.54417 -0.07322 0.12045 164 2PY -0.08576 0.08084 0.13859 -0.09062 -0.23122 165 2PZ -0.10343 0.01551 0.22849 0.07839 -0.01218 166 3S 0.10659 0.15378 0.10835 -0.23432 -0.43894 167 3PX -0.33805 0.00188 1.04129 0.14979 -0.24123 168 3PY 0.22952 -0.17704 -0.24506 0.09216 0.50921 169 3PZ 0.01581 -0.16718 -0.38755 0.03871 0.18001 170 4XX 0.00899 -0.00265 -0.02149 0.00043 -0.02463 171 4YY -0.00773 0.00055 -0.00769 0.01751 0.01198 172 4ZZ 0.01399 0.00104 -0.02688 -0.02557 -0.00543 173 4XY 0.00747 -0.00661 -0.02909 -0.01693 -0.00209 174 4XZ 0.00077 0.00798 -0.01677 -0.01768 -0.02340 175 4YZ 0.00702 0.01955 0.01818 -0.00538 0.00417 176 17 C 1S 0.00555 0.00457 0.00982 -0.00778 -0.00959 177 2S -0.00882 -0.01824 -0.09156 -0.07196 0.04075 178 2PX -0.00646 0.12359 0.23612 -0.13043 -0.05233 179 2PY 0.02259 -0.06093 -0.24092 -0.01769 -0.01936 180 2PZ 0.02116 -0.10722 -0.32659 0.00029 0.09574 181 3S -0.34084 -0.18252 0.33526 0.56641 0.33626 182 3PX -0.00663 -0.38736 -0.53942 0.24917 0.38561 183 3PY -0.20063 -0.03538 0.47305 0.21478 0.25136 184 3PZ 0.12028 0.15892 0.71118 -0.16918 -0.17778 185 4XX 0.00205 0.00279 0.00404 0.00398 0.01968 186 4YY 0.01274 0.00281 -0.00923 -0.01981 -0.02890 187 4ZZ -0.02342 -0.01247 0.00316 0.00844 0.02796 188 4XY -0.00206 0.00405 0.01210 -0.01125 -0.00844 189 4XZ -0.00861 -0.00587 0.01805 0.01526 0.01379 190 4YZ -0.00973 -0.00227 0.01323 0.01519 -0.00148 191 18 C 1S 0.00075 -0.00172 -0.00091 0.00349 0.00102 192 2S -0.02618 -0.03050 0.05064 0.02404 0.07057 193 2PX -0.19402 -0.14482 -0.20814 0.11945 0.10796 194 2PY 0.08794 0.07352 0.12889 -0.02357 -0.01122 195 2PZ 0.11871 0.09918 0.19683 -0.07198 -0.01917 196 3S 0.14956 0.19672 -0.03625 -0.24495 -0.22752 197 3PX 0.50626 0.39718 0.45655 -0.49112 -0.41491 198 3PY -0.24506 -0.01067 -0.31676 0.14726 -0.04887 199 3PZ 0.02446 -0.15933 -0.46925 -0.13304 -0.09338 200 4XX 0.00564 0.00586 0.00520 -0.01282 0.00208 201 4YY -0.00762 -0.00194 0.00693 0.00330 0.00161 202 4ZZ 0.00798 -0.00373 -0.00249 0.00470 -0.00316 203 4XY 0.01650 0.00650 -0.00770 -0.01007 -0.00636 204 4XZ 0.00437 0.00328 -0.00441 -0.00362 -0.01232 205 4YZ 0.00533 0.00480 -0.01789 -0.00158 -0.01147 206 19 C 1S 0.00967 0.00045 -0.00098 -0.00475 -0.00185 207 2S -0.04111 0.05025 0.01876 0.04365 -0.01745 208 2PX 0.23836 0.15693 0.14197 -0.17599 -0.05963 209 2PY -0.21308 -0.04143 -0.08921 0.16147 -0.01337 210 2PZ -0.23012 -0.03545 -0.12794 0.13054 -0.03065 211 3S -0.28758 -0.37513 0.23604 0.29023 0.33573 212 3PX -0.77816 -0.34983 -0.17858 0.71070 0.31465 213 3PY 0.16302 0.17268 0.27724 -0.17075 0.02505 214 3PZ 0.17061 -0.06903 0.42516 0.01744 0.14179 215 4XX -0.00506 -0.00166 0.00671 0.00521 0.00963 216 4YY -0.01144 -0.00601 0.00494 0.00879 0.01500 217 4ZZ 0.00617 0.00468 -0.00262 0.00623 -0.01613 218 4XY -0.00772 -0.01214 0.01136 0.00949 0.00544 219 4XZ 0.00947 -0.00573 -0.00006 -0.00283 0.00607 220 4YZ -0.00189 -0.01020 0.00221 -0.00646 0.00307 221 20 C 1S -0.00929 0.00283 0.00776 0.00921 0.00387 222 2S 0.00116 0.09023 -0.03834 -0.07929 -0.19674 223 2PX -0.25077 0.06504 -0.08850 0.22924 -0.06979 224 2PY 0.13499 0.06155 0.00752 -0.19186 -0.12606 225 2PZ 0.20491 0.07722 -0.01481 -0.21773 -0.06557 226 3S 0.36727 0.01339 -0.17079 -0.12639 0.67563 227 3PX 0.15690 -0.14848 0.43874 -0.09548 0.17065 228 3PY -0.41781 -0.24669 0.20764 0.54837 0.16659 229 3PZ -0.54737 -0.12091 -0.06636 0.53451 0.57271 230 4XX -0.00848 0.01236 -0.00549 -0.00601 -0.03677 231 4YY -0.00986 0.00790 0.00059 0.00155 -0.00315 232 4ZZ 0.01352 0.01108 0.00372 -0.01324 0.00419 233 4XY 0.00864 0.01666 -0.00984 -0.00226 -0.01270 234 4XZ -0.00976 0.01121 0.00849 -0.00148 -0.00850 235 4YZ 0.01365 0.01268 -0.00874 -0.02263 -0.01518 236 21 H 1S -0.01605 0.02623 0.00270 0.04795 0.02802 237 2S 0.06073 0.13409 -0.21814 -0.20704 -0.09707 238 22 H 1S 0.05065 0.01886 -0.03061 -0.00710 -0.03585 239 2S -0.14704 -0.11788 0.09442 0.18543 0.12780 240 23 H 1S 0.04881 0.01257 -0.03886 -0.01249 -0.03019 241 2S 0.05801 0.03808 0.04668 -0.10834 -0.10368 242 24 H 1S 0.06031 0.02143 -0.00695 -0.07822 -0.06663 243 2S -0.13146 -0.11875 -0.02036 0.18219 0.28606 244 25 H 1S 0.01034 -0.01156 -0.07236 -0.08008 -0.07223 245 2S 0.09515 0.05579 -0.08287 -0.00585 0.18428 246 26 O 1S -0.00296 0.00528 -0.00035 -0.00606 -0.01218 247 2S 0.05131 -0.03188 -0.02395 0.00180 -0.08648 248 2PX -0.02120 -0.00071 0.03781 -0.11789 -0.09838 249 2PY 0.02466 0.03476 0.00903 0.11129 -0.02479 250 2PZ -0.00513 0.01117 -0.02775 -0.08935 0.02763 251 3S 0.08384 0.02836 -0.16031 -0.27048 0.59749 252 3PX -0.02036 0.08965 -0.00225 -0.04807 -0.12895 253 3PY 0.03152 -0.01401 -0.00042 -0.20540 -0.04708 254 3PZ -0.04351 -0.02860 0.13073 0.32341 -0.09455 255 4XX 0.00447 -0.00675 -0.00095 -0.02502 -0.04143 256 4YY 0.01122 -0.02020 0.00218 0.03443 -0.02785 257 4ZZ 0.03061 0.01118 -0.03752 -0.06836 -0.01803 258 4XY -0.01684 -0.00862 0.01469 -0.00540 0.02614 259 4XZ 0.00450 -0.02544 0.01708 0.05188 0.05766 260 4YZ -0.02704 0.00218 0.02597 0.04948 -0.01104 261 27 H 1S -0.00701 0.12664 -0.07722 -0.33485 -0.25203 262 2S 0.12923 -0.11557 0.00694 0.15993 0.17230 263 28 H 1S 0.13808 0.10901 -0.02977 -0.08826 0.03976 264 2S 0.17872 0.05788 0.08827 0.09510 -0.55667 121 122 123 124 125 V V V V V Eigenvalues -- 1.02991 1.04308 1.06554 1.08577 1.09926 1 1 C 1S 0.00147 -0.00930 0.00028 -0.01377 -0.00047 2 2S -0.08951 -0.01013 -0.32498 0.09187 0.02898 3 2PX -0.37556 0.05427 -0.04554 -0.02267 0.06468 4 2PY -0.02319 0.23297 -0.26622 0.29198 0.10154 5 2PZ 0.03240 -0.07680 -0.00766 0.12635 0.02222 6 3S 0.45453 0.95346 0.92185 1.07343 0.14733 7 3PX 1.84115 -0.15761 -0.40276 -0.10227 -0.42582 8 3PY 0.04206 -0.75494 0.28210 -1.07203 -0.71572 9 3PZ -0.21242 0.32357 0.19880 -0.54032 0.16021 10 4XX -0.01755 0.02482 0.00249 0.02262 0.00560 11 4YY 0.03080 -0.02192 0.02621 -0.02658 -0.01208 12 4ZZ -0.00435 0.01655 -0.11483 0.05392 0.03744 13 4XY -0.02875 0.01941 0.02222 0.07712 0.00908 14 4XZ -0.01742 -0.00520 0.02385 0.04032 0.03324 15 4YZ 0.01157 0.01507 0.05974 -0.03325 -0.00732 16 2 C 1S -0.01319 0.04603 -0.02671 -0.01333 0.00116 17 2S 0.15127 0.16312 -0.13253 -0.01649 0.19361 18 2PX -0.02337 0.08532 0.09310 -0.01289 0.23614 19 2PY 0.26962 -0.07198 0.02093 -0.01074 -0.06240 20 2PZ 0.23413 0.20338 0.08050 -0.03019 -0.04176 21 3S -1.12105 0.45398 -0.25944 0.61446 -1.27663 22 3PX 0.29611 -0.05905 -0.89753 0.50031 -1.35004 23 3PY -0.21062 0.79080 -0.04505 0.05832 0.74022 24 3PZ -1.29051 -0.97305 0.18180 -0.28777 0.35474 25 4XX -0.04620 0.00663 -0.04545 0.01703 -0.00445 26 4YY 0.01545 0.13659 -0.05602 -0.05213 -0.01457 27 4ZZ 0.00639 0.00178 0.01615 0.00548 0.02915 28 4XY 0.00197 -0.02447 -0.01293 -0.04054 0.02164 29 4XZ 0.03483 -0.04703 0.02653 -0.01993 0.00807 30 4YZ 0.02404 -0.07855 0.04898 0.06057 -0.01154 31 3 C 1S -0.00158 0.00736 -0.00155 0.00320 -0.00106 32 2S -0.17956 0.25406 -0.03538 -0.15079 -0.16013 33 2PX -0.07186 -0.23619 0.00119 -0.12404 0.12273 34 2PY -0.03875 0.05432 -0.04856 0.05086 -0.21189 35 2PZ -0.41393 -0.45626 0.07523 -0.02886 -0.06514 36 3S 0.03779 -0.09709 0.24848 0.90768 0.90755 37 3PX 0.09757 0.36641 -0.38285 1.21979 -1.13592 38 3PY 0.42303 -0.72213 0.83745 -1.12005 1.53511 39 3PZ 1.06999 1.20529 -0.15254 -0.01572 0.27392 40 4XX -0.02228 0.03866 -0.02088 0.05036 -0.02338 41 4YY -0.04000 0.03505 0.02202 -0.03110 -0.00208 42 4ZZ 0.02183 -0.01204 -0.00178 -0.00682 -0.00315 43 4XY 0.02201 -0.03931 -0.00910 -0.02267 -0.01457 44 4XZ 0.00735 -0.00009 0.01129 -0.02022 0.01069 45 4YZ -0.03722 -0.00975 -0.01156 -0.00902 0.00323 46 4 C 1S 0.00688 -0.00738 -0.01066 0.02335 -0.02397 47 2S 0.00719 0.09854 -0.02976 -0.05851 0.09888 48 2PX -0.05051 0.10212 -0.02240 -0.07570 -0.00335 49 2PY 0.07030 0.10142 0.08383 -0.48367 0.42811 50 2PZ -0.04688 0.04054 -0.12521 0.17987 -0.08192 51 3S 0.49262 -0.00851 0.24384 -0.88568 -0.24994 52 3PX 0.33022 -0.62946 0.19998 -0.02788 0.06979 53 3PY -0.55564 -0.01219 -0.58046 1.88218 -1.27236 54 3PZ -0.25277 -0.21440 0.27285 -0.56055 0.19164 55 4XX 0.03646 0.02633 0.00744 -0.06889 0.04885 56 4YY -0.00793 -0.02269 -0.01749 0.05949 -0.06864 57 4ZZ -0.00848 0.01394 0.00701 -0.03303 0.04247 58 4XY -0.02188 0.00808 -0.01618 0.00349 0.01254 59 4XZ 0.00398 -0.00318 0.00936 0.01566 -0.00140 60 4YZ -0.00371 -0.01786 0.00966 -0.02923 0.02760 61 5 C 1S 0.00036 -0.00276 0.00282 0.00366 -0.01009 62 2S 0.09130 -0.07298 0.02432 0.02542 0.07678 63 2PX -0.06910 0.05113 -0.00022 0.01872 0.16064 64 2PY 0.05349 -0.08346 0.04094 -0.01160 0.13262 65 2PZ 0.02831 -0.02708 0.07030 -0.04301 -0.11429 66 3S -0.62238 0.52919 -0.37568 0.43587 0.25314 67 3PX 0.55498 -0.10352 0.23761 -0.59580 -0.71977 68 3PY -0.32947 0.23389 -0.18432 0.42689 -0.66326 69 3PZ -0.04186 0.18524 -0.25616 0.28856 0.50538 70 4XX -0.01703 -0.03212 -0.00851 0.04761 -0.03591 71 4YY 0.00166 0.00568 0.00356 -0.02199 0.06475 72 4ZZ 0.01832 0.00893 0.00384 -0.00450 0.00905 73 4XY 0.00266 -0.02334 0.00283 -0.02069 0.04258 74 4XZ -0.00467 0.00428 0.00254 -0.02642 0.01463 75 4YZ -0.00912 -0.00197 -0.00346 0.01120 -0.03045 76 6 C 1S 0.00025 -0.00271 0.00106 -0.02121 0.02623 77 2S 0.01463 -0.02659 -0.02333 0.12725 0.00761 78 2PX 0.07230 0.05147 0.02809 0.12434 -0.45703 79 2PY 0.01697 0.01509 0.01870 -0.17329 0.40264 80 2PZ 0.11590 0.07191 -0.05887 0.03371 0.12922 81 3S 0.29058 0.00009 0.18111 -0.33625 -1.17615 82 3PX -0.57809 -0.07436 -0.19411 -0.02927 1.77024 83 3PY -0.04021 -0.28153 -0.00465 0.60858 -1.48002 84 3PZ -0.12971 -0.15358 0.22441 -0.27601 -0.51604 85 4XX 0.01048 -0.02811 0.00559 -0.02298 -0.00086 86 4YY 0.00600 0.00793 -0.00240 0.00424 -0.01748 87 4ZZ -0.00079 0.00991 -0.00111 0.03365 -0.03262 88 4XY -0.01275 0.02512 -0.00477 0.05614 -0.07292 89 4XZ -0.01588 -0.00172 -0.00694 0.01451 0.00401 90 4YZ 0.00934 -0.00026 0.00449 -0.01771 0.02619 91 7 C 1S 0.00747 0.00100 -0.00422 0.00412 -0.00444 92 2S 0.03614 -0.08697 -0.03770 0.03684 0.06286 93 2PX -0.07396 0.04027 0.06568 -0.06288 -0.10610 94 2PY 0.06456 -0.10473 0.02259 -0.09081 -0.22064 95 2PZ -0.18939 -0.02693 0.03217 -0.03671 0.03394 96 3S -0.79015 0.65532 -0.25203 0.60940 0.44640 97 3PX 0.11511 -0.28489 -0.18628 0.24317 0.72232 98 3PY -0.54575 0.68819 -0.17303 0.36601 1.12098 99 3PZ 0.66195 0.19475 -0.05640 0.06501 -0.38276 100 4XX -0.01566 0.00548 -0.01784 0.03986 0.02908 101 4YY 0.01483 0.02778 0.00111 -0.01774 0.01152 102 4ZZ -0.01005 -0.02459 -0.00221 -0.00201 0.01066 103 4XY 0.01596 -0.02087 0.00403 -0.03487 0.05176 104 4XZ 0.01113 0.00256 0.01199 -0.00823 -0.02738 105 4YZ 0.00380 0.01895 0.00050 0.01692 -0.02873 106 8 C 1S -0.00316 0.00843 0.00321 0.00019 -0.00602 107 2S 0.01871 -0.06131 0.11578 -0.18214 -0.21141 108 2PX 0.05349 0.31939 -0.06250 0.28240 0.02100 109 2PY 0.10681 0.03690 0.07664 -0.05907 0.03796 110 2PZ 0.37235 -0.02136 -0.09649 0.04548 0.10052 111 3S 0.25852 -0.91504 0.28173 -0.50447 0.79713 112 3PX 0.38779 -1.20219 0.36228 -1.14398 0.20634 113 3PY -0.14820 -0.24198 0.05120 -0.20493 -0.15127 114 3PZ -1.14881 0.03715 0.04511 0.17567 -0.28335 115 4XX 0.03561 0.01536 0.01918 -0.02356 -0.05056 116 4YY -0.00113 -0.04753 0.01624 -0.02905 0.01938 117 4ZZ -0.00908 -0.01941 -0.00211 -0.01056 -0.00523 118 4XY -0.00810 0.04597 0.02047 -0.01934 0.00761 119 4XZ 0.00714 -0.00220 -0.01257 0.01870 0.02118 120 4YZ 0.02838 -0.01119 -0.01043 0.03339 -0.00418 121 9 H 1S 0.00634 0.12933 0.09916 -0.05347 -0.08432 122 2S 0.46226 -0.63277 0.03835 -0.48038 0.17481 123 10 H 1S 0.05374 0.01145 -0.00557 -0.05661 -0.03933 124 2S -0.33148 0.18490 -0.08158 0.22271 0.64521 125 11 H 1S 0.02223 -0.05506 0.03040 -0.24043 0.30558 126 2S 0.09574 0.02696 0.03379 0.55864 -1.50447 127 12 H 1S -0.01663 -0.05966 0.02767 0.03461 -0.07417 128 2S -0.09141 0.06236 -0.07876 0.11422 0.61513 129 13 H 1S -0.01711 -0.07292 -0.07618 0.28508 -0.26887 130 2S 0.21095 0.01991 0.41674 -1.28961 1.09843 131 14 O 1S 0.01017 0.00278 0.00120 0.00813 0.00240 132 2S 0.00579 -0.13329 0.05484 0.08788 0.00238 133 2PX 0.03146 -0.01761 0.01726 -0.00320 -0.06641 134 2PY 0.06741 -0.27119 0.16136 0.16824 -0.01675 135 2PZ 0.11937 0.13797 -0.02499 -0.13002 -0.04209 136 3S -0.16349 -0.46324 0.01960 -0.34517 -0.03298 137 3PX -0.02700 0.04382 0.16326 -0.05765 0.20503 138 3PY 0.15096 0.48021 -0.24884 -0.13420 -0.02609 139 3PZ 0.00326 -0.19975 0.06692 0.13605 -0.01600 140 4XX -0.01241 -0.03470 0.02139 0.03644 0.00259 141 4YY 0.00873 -0.14413 0.04565 0.07301 0.01924 142 4ZZ 0.03064 -0.05794 0.04122 0.04181 -0.01252 143 4XY 0.00942 -0.00047 0.01090 -0.00550 -0.01186 144 4XZ 0.00142 0.00721 -0.01286 -0.00615 -0.00041 145 4YZ -0.03048 0.04433 -0.01201 -0.01264 -0.00059 146 15 C 1S -0.00017 0.00454 0.01335 0.01143 0.00431 147 2S -0.02658 0.14220 0.04440 0.12194 0.08068 148 2PX 0.38456 -0.15661 0.10087 0.30594 0.10431 149 2PY -0.33807 0.25521 0.23662 0.03287 0.05113 150 2PZ -0.39751 0.27294 0.03726 0.05895 0.07528 151 3S 0.78203 -0.18472 0.68330 0.26893 0.07579 152 3PX -0.57731 -0.05761 -1.08442 -1.71492 -0.72861 153 3PY 0.94410 -0.69622 -1.10477 -0.64840 -0.29318 154 3PZ 1.00077 -1.00329 -0.79943 -0.93714 -0.70483 155 4XX 0.04276 -0.01731 0.03918 -0.00198 0.00407 156 4YY -0.01291 0.04682 0.00276 0.03866 -0.00276 157 4ZZ -0.02184 0.00540 0.02674 0.01494 0.02707 158 4XY 0.01425 0.02769 0.05108 0.02117 -0.00142 159 4XZ 0.01503 -0.02302 0.03787 0.04495 0.02537 160 4YZ -0.01364 -0.00285 0.00273 -0.00961 -0.01646 161 16 C 1S 0.00522 0.01155 0.00359 0.00805 -0.00112 162 2S -0.02281 -0.05447 -0.03656 0.04216 0.05913 163 2PX 0.09345 0.04539 -0.24348 -0.06098 0.12597 164 2PY 0.00346 0.07144 0.16869 0.10122 -0.05137 165 2PZ -0.03883 -0.34020 -0.37825 -0.26397 0.05513 166 3S 0.11707 -0.12484 -1.31700 -0.57227 0.25454 167 3PX 0.10013 -0.05667 1.04569 0.51459 -0.34888 168 3PY -0.21462 -0.19650 -0.31533 -0.40752 0.09869 169 3PZ -0.10858 1.02222 1.52260 0.95330 -0.27733 170 4XX 0.02285 -0.02723 -0.02587 -0.00011 0.02105 171 4YY 0.00306 -0.02706 -0.05022 -0.03917 -0.00761 172 4ZZ -0.03060 0.02356 0.01631 0.01790 0.01084 173 4XY -0.00561 -0.01279 -0.05937 -0.00436 0.01701 174 4XZ 0.01256 0.02385 0.02195 0.02787 0.02925 175 4YZ -0.01627 -0.01767 -0.01170 -0.01421 0.01993 176 17 C 1S -0.00534 0.00553 0.00694 0.00648 0.01204 177 2S 0.07023 -0.02770 -0.11394 -0.02346 0.01264 178 2PX -0.02325 -0.10842 -0.09047 -0.01953 0.09087 179 2PY 0.01789 0.06832 -0.08816 0.07651 0.27527 180 2PZ 0.12939 0.05611 -0.02122 -0.02517 -0.05698 181 3S 0.00355 0.10457 0.91126 0.25937 -0.51092 182 3PX 0.02284 0.41757 0.78222 0.13651 -0.38587 183 3PY 0.22940 -0.04865 0.63826 -0.14143 -1.12096 184 3PZ -0.28969 -0.14704 0.39507 0.21205 0.26746 185 4XX -0.00559 0.00034 0.01565 0.00412 -0.01375 186 4YY 0.02839 0.02275 0.01727 0.01290 0.00448 187 4ZZ -0.00633 -0.01813 -0.02635 -0.02483 -0.02173 188 4XY -0.02652 0.03095 0.04586 0.02548 0.00392 189 4XZ 0.01411 -0.01239 0.01174 0.00215 -0.01346 190 4YZ -0.00434 -0.00702 0.02169 0.02354 -0.00379 191 18 C 1S 0.00140 -0.00134 -0.02151 -0.02163 -0.01284 192 2S 0.05175 -0.02274 0.02849 -0.02728 0.01038 193 2PX 0.00881 0.08368 -0.06899 -0.20538 -0.18373 194 2PY 0.04139 -0.04972 -0.06241 -0.13143 -0.16581 195 2PZ 0.05862 -0.11274 -0.10229 -0.12078 -0.10868 196 3S -0.45703 -0.03846 -0.27604 0.19675 0.31095 197 3PX -0.18730 -0.23841 -0.01421 0.57034 0.66145 198 3PY -0.19995 -0.01307 -0.28753 0.37530 0.56541 199 3PZ -0.17466 0.42372 0.41620 0.32076 0.43199 200 4XX -0.02194 0.00093 -0.02359 -0.02193 -0.00497 201 4YY 0.00675 -0.00396 0.00381 0.00768 -0.00475 202 4ZZ 0.01057 -0.00009 0.00910 0.01539 0.02973 203 4XY 0.00213 0.00127 -0.04163 -0.04145 -0.03064 204 4XZ 0.00086 -0.00221 -0.04438 -0.02870 -0.00019 205 4YZ 0.02871 -0.00117 -0.02984 -0.02683 -0.02033 206 19 C 1S -0.00617 0.00009 0.00161 0.00146 -0.00650 207 2S 0.06106 -0.01844 -0.00090 -0.04462 -0.02784 208 2PX -0.04624 -0.10159 -0.12827 -0.00827 -0.06476 209 2PY 0.10799 0.07242 0.07371 -0.02083 0.02217 210 2PZ 0.04435 0.08583 -0.05615 -0.05648 -0.09148 211 3S -0.00111 0.19169 0.91247 0.51846 0.19732 212 3PX 0.01222 0.22149 0.44675 0.27445 0.35613 213 3PY -0.32224 -0.30942 -0.42021 0.21095 0.02177 214 3PZ 0.13731 -0.30606 0.45483 0.39842 0.38656 215 4XX -0.01283 -0.00222 0.01773 0.02048 0.02085 216 4YY -0.00262 0.01192 0.00449 -0.03463 -0.02903 217 4ZZ 0.02857 -0.01826 -0.00177 0.01536 0.00994 218 4XY 0.01691 0.00421 0.02825 0.00989 0.00634 219 4XZ -0.02460 -0.00962 0.01931 0.03222 0.02506 220 4YZ -0.00850 0.00894 0.02775 0.02796 0.03845 221 20 C 1S 0.00229 -0.01096 0.00930 0.01186 0.01911 222 2S -0.00816 0.09661 -0.06838 0.06018 0.00574 223 2PX 0.06941 0.21780 -0.05387 -0.19708 -0.12829 224 2PY 0.01568 0.04410 -0.40223 -0.31451 -0.35222 225 2PZ 0.00661 -0.22776 -0.06609 0.20262 0.14257 226 3S 0.03098 -0.33336 -0.56945 -1.07424 -0.67852 227 3PX 0.05586 -0.49879 0.41509 0.80642 0.45216 228 3PY -0.18113 0.21755 1.63110 1.41188 1.34978 229 3PZ -0.30687 0.42567 -0.13250 -0.61422 -0.49557 230 4XX 0.02866 0.03175 -0.00816 -0.02010 -0.01988 231 4YY -0.02993 -0.02200 -0.01057 0.02344 0.02962 232 4ZZ 0.00018 0.01139 -0.02980 -0.03274 -0.03565 233 4XY 0.01417 -0.01699 -0.00369 0.03396 0.02631 234 4XZ -0.00710 0.01411 0.00044 -0.02897 -0.02432 235 4YZ -0.01983 0.02290 -0.01040 -0.01014 -0.02768 236 21 H 1S -0.00540 -0.15004 0.06401 0.18103 0.23154 237 2S 0.02411 0.19177 -0.88988 -0.99645 -1.03036 238 22 H 1S -0.01182 -0.01886 -0.04669 0.01692 -0.05393 239 2S 0.15345 0.00396 0.33536 0.07965 0.25395 240 23 H 1S 0.02609 -0.00676 -0.20418 -0.20701 -0.13228 241 2S -0.15058 0.03275 0.36374 0.64518 0.63915 242 24 H 1S 0.00524 0.05869 0.06011 0.05138 0.12658 243 2S 0.17501 -0.06017 0.14360 -0.18733 -0.71127 244 25 H 1S 0.02864 0.15953 0.17191 0.14283 -0.02268 245 2S -0.07327 -0.60463 -0.96820 -0.69118 0.19027 246 26 O 1S 0.00475 0.00318 0.01346 0.00086 -0.00088 247 2S 0.06388 0.09096 -0.09216 -0.02878 0.01698 248 2PX -0.02184 0.02828 0.37514 -0.11516 -0.14738 249 2PY -0.06357 -0.08630 -0.08228 0.00975 0.01571 250 2PZ -0.05787 0.00285 0.05389 -0.00759 -0.02363 251 3S -0.36853 -0.47342 0.06393 -0.09298 -0.16975 252 3PX -0.12391 0.08982 -0.17836 0.11661 0.17720 253 3PY 0.01480 0.05332 0.02733 -0.00087 -0.02589 254 3PZ 0.16644 0.09603 -0.27781 0.19515 0.16603 255 4XX 0.02742 0.03416 0.02741 -0.01999 -0.01445 256 4YY 0.00473 0.04185 -0.06118 0.00957 0.01678 257 4ZZ 0.02497 -0.00134 0.02398 -0.03923 -0.01870 258 4XY 0.01947 -0.02374 0.01307 -0.02487 -0.01674 259 4XZ -0.00434 -0.00304 -0.07416 0.00516 0.00782 260 4YZ 0.01896 0.02386 0.01475 -0.00714 -0.00821 261 27 H 1S 0.01797 -0.03441 0.55605 -0.10111 -0.13742 262 2S 0.04686 -0.00246 -0.42500 0.06039 0.05621 263 28 H 1S 0.20073 -0.10006 0.19758 -0.31880 -0.09074 264 2S 0.11154 0.26440 -0.57134 0.85415 0.24790 126 127 128 129 130 V V V V V Eigenvalues -- 1.10362 1.10974 1.11164 1.11529 1.11949 1 1 C 1S -0.00134 0.00152 0.00201 0.00417 -0.00117 2 2S 0.04479 -0.11641 0.03911 0.15338 0.01878 3 2PX -0.10180 0.01537 -0.01366 0.16714 -0.16950 4 2PY 0.06970 0.00951 0.06884 0.14199 0.26914 5 2PZ 0.08412 -0.01709 0.02080 0.00151 0.06321 6 3S 0.04064 0.08763 0.35072 0.40436 0.25768 7 3PX 0.18122 0.17921 0.06449 -0.79513 0.33952 8 3PY -0.12570 -0.11604 -0.27199 -0.92996 -0.69028 9 3PZ -0.28147 0.11824 -0.12253 0.10412 -0.32559 10 4XX 0.01431 -0.02835 0.02730 0.03264 0.01181 11 4YY -0.01834 0.01115 -0.01165 -0.01227 -0.00445 12 4ZZ 0.02191 0.01086 0.01300 0.02855 0.03680 13 4XY 0.02047 -0.03663 0.00692 0.00277 0.03282 14 4XZ 0.01439 -0.00479 0.00070 0.03852 0.00932 15 4YZ -0.00790 0.00272 -0.00169 0.01600 -0.02186 16 2 C 1S -0.00101 0.00366 -0.00076 -0.00274 0.00169 17 2S 0.19215 -0.10763 0.00836 -0.20107 0.36326 18 2PX -0.01111 -0.01022 -0.08045 0.10329 -0.07151 19 2PY 0.03339 0.01508 -0.05854 -0.04698 0.06371 20 2PZ -0.08322 0.03973 0.04579 0.04944 -0.16731 21 3S -0.84032 -0.05327 -0.27894 0.42561 -1.72387 22 3PX -0.06666 -0.00005 0.24222 -0.60734 -0.03948 23 3PY -0.26973 0.22716 0.19877 0.90726 -0.28828 24 3PZ 0.32171 -0.15945 -0.18362 -0.16860 0.62671 25 4XX 0.00229 -0.01059 -0.00297 -0.03528 0.02251 26 4YY -0.00957 0.01469 -0.01779 0.00228 -0.02064 27 4ZZ 0.01225 -0.01450 0.01427 0.02521 0.01165 28 4XY 0.00005 0.01250 0.00849 0.02116 0.00808 29 4XZ 0.00964 0.02374 -0.00001 0.00712 0.01864 30 4YZ 0.00160 -0.02009 -0.00186 -0.03142 0.00053 31 3 C 1S -0.00050 -0.00459 -0.00274 -0.00638 -0.00784 32 2S -0.07388 0.13467 -0.04731 -0.00063 -0.01477 33 2PX 0.02935 0.03518 0.02354 0.12218 0.08120 34 2PY -0.09983 -0.04826 -0.04668 -0.07375 -0.24154 35 2PZ 0.09408 -0.02412 -0.00158 -0.16042 0.20599 36 3S 0.08972 -1.13260 -0.07285 -0.68413 -0.92489 37 3PX 0.00855 -0.65561 -0.27133 -1.28083 -0.47609 38 3PY 0.66630 0.52484 0.21155 0.68256 1.70202 39 3PZ -0.37436 0.20107 0.09631 0.68917 -0.69065 40 4XX -0.01804 -0.02609 -0.04412 0.00025 -0.03800 41 4YY -0.00290 0.01462 0.02464 -0.03849 -0.00993 42 4ZZ 0.00561 0.00923 0.00215 0.00830 0.02173 43 4XY -0.00048 0.00852 0.00655 0.02049 -0.00307 44 4XZ -0.00028 0.01207 0.01972 0.01117 -0.00035 45 4YZ 0.00534 0.00772 -0.00837 0.00864 0.02458 46 4 C 1S -0.00927 -0.00213 -0.00707 0.00587 -0.00792 47 2S 0.00405 0.04890 -0.08759 0.15210 -0.00694 48 2PX 0.00843 0.05918 0.00453 -0.01037 0.05672 49 2PY 0.13442 0.31418 0.25426 0.26241 0.35130 50 2PZ -0.04331 -0.08354 -0.05350 -0.00353 -0.10799 51 3S -0.33515 1.19157 1.15607 0.98833 0.33440 52 3PX 0.20411 -0.11883 0.17709 -0.18158 0.24411 53 3PY -0.32353 -1.72442 -1.63574 -1.35174 -1.53145 54 3PZ 0.06078 0.41789 0.27284 0.21883 0.39501 55 4XX 0.01176 0.02890 0.00026 0.03885 0.02036 56 4YY -0.03319 0.03491 0.05461 0.02905 -0.01025 57 4ZZ 0.01338 -0.00518 -0.01767 0.00541 0.00403 58 4XY -0.00457 -0.02602 -0.04003 0.00019 -0.02170 59 4XZ 0.00880 -0.01105 0.00165 -0.02739 0.01086 60 4YZ 0.02607 0.00141 0.00145 -0.01594 0.04223 61 5 C 1S -0.00254 0.00880 0.03539 -0.01131 -0.00389 62 2S 0.08182 -0.06527 -0.16268 0.03047 0.15056 63 2PX 0.06859 -0.36703 -0.63776 -0.12102 -0.10764 64 2PY 0.08623 -0.16724 -0.27304 -0.05928 0.05823 65 2PZ -0.05375 0.18876 0.32072 0.04676 0.01591 66 3S 0.02615 -1.34039 -0.87508 -1.23898 -1.33827 67 3PX -0.30489 1.97777 2.26763 1.06944 0.93292 68 3PY -0.38593 0.72372 0.86372 0.43394 0.00830 69 3PZ 0.19946 -0.98362 -1.11739 -0.46567 -0.41588 70 4XX -0.00777 -0.02187 0.02492 -0.03386 -0.02636 71 4YY 0.03436 -0.05112 -0.07473 -0.02624 0.01590 72 4ZZ 0.00134 -0.00326 -0.02790 0.01552 0.00482 73 4XY 0.01110 0.00566 0.08605 -0.01409 -0.00505 74 4XZ 0.00822 0.01065 -0.05538 0.03160 0.03782 75 4YZ -0.00785 0.01111 -0.02956 0.01588 0.01499 76 6 C 1S 0.00844 -0.00538 0.00314 -0.00037 0.00095 77 2S 0.01334 -0.01050 0.01503 0.04495 0.09929 78 2PX -0.15124 0.34555 -0.00357 0.23747 0.21708 79 2PY 0.15041 -0.26482 -0.03474 -0.24665 -0.13233 80 2PZ 0.02436 -0.09131 0.01604 -0.02874 -0.08460 81 3S -0.37010 1.38789 0.13706 1.10619 0.77373 82 3PX 0.54199 -1.66497 0.08598 -1.37962 -1.14126 83 3PY -0.58583 1.32443 0.58595 1.23802 0.74021 84 3PZ -0.09062 0.43377 -0.18706 0.26523 0.37685 85 4XX 0.00850 0.00892 -0.05649 0.03712 0.04500 86 4YY -0.01226 0.04811 0.08820 0.02335 0.00975 87 4ZZ -0.01023 0.00130 -0.01861 0.00026 0.00280 88 4XY -0.02013 0.01079 -0.03622 -0.00310 0.00716 89 4XZ -0.00015 -0.00820 0.03204 -0.02440 -0.01490 90 4YZ 0.00546 -0.01758 -0.00982 -0.00427 -0.01626 91 7 C 1S -0.00073 -0.00595 -0.03295 0.01168 0.00131 92 2S -0.05134 -0.02980 0.19254 -0.03579 -0.15880 93 2PX 0.01426 0.05667 -0.15569 0.00218 0.11326 94 2PY -0.03708 0.15448 -0.57417 0.45473 0.30464 95 2PZ -0.01632 -0.04527 0.16109 -0.09326 -0.13291 96 3S 0.33822 -1.03582 0.01244 -1.44302 -0.55973 97 3PX 0.01198 -0.36670 0.59398 0.01524 -0.47388 98 3PY 0.26820 -1.11242 1.69498 -2.18514 -1.49118 99 3PZ -0.04565 0.35961 -0.54048 0.47884 0.49916 100 4XX -0.00051 -0.02843 0.07782 -0.04578 -0.04369 101 4YY -0.00030 -0.02160 -0.06994 -0.00209 -0.02470 102 4ZZ 0.00149 0.00306 0.05035 -0.01235 -0.00298 103 4XY 0.01408 -0.02845 -0.03242 0.01459 -0.00783 104 4XZ -0.00742 0.02714 -0.00324 0.01850 0.01622 105 4YZ -0.01343 0.02151 0.04076 -0.00323 -0.00676 106 8 C 1S -0.00108 0.01175 0.00644 -0.00226 0.00905 107 2S -0.08037 0.07959 0.06507 -0.10921 -0.10922 108 2PX 0.03083 -0.05462 0.07876 -0.22458 -0.04027 109 2PY 0.01613 -0.01122 0.07472 -0.09772 -0.06766 110 2PZ -0.00130 0.00958 -0.01505 0.13147 0.03774 111 3S 0.45302 0.61381 -0.36152 1.37835 1.77122 112 3PX -0.04688 0.54545 -0.60495 1.55269 0.70512 113 3PY 0.16516 0.25375 -0.32917 0.23575 0.81190 114 3PZ 0.02361 -0.25815 0.25719 -0.81482 -0.32958 115 4XX -0.02128 0.03813 -0.04575 0.03671 0.00712 116 4YY 0.01181 0.00931 0.02674 -0.00287 0.03024 117 4ZZ 0.00147 -0.00595 0.00541 -0.00899 -0.00372 118 4XY 0.00972 0.01450 0.00250 -0.02532 0.01829 119 4XZ -0.00233 -0.03429 0.02561 -0.01519 -0.04834 120 4YZ -0.00801 -0.01928 -0.00115 0.00633 -0.02948 121 9 H 1S 0.01856 0.12390 0.00630 -0.03648 0.11116 122 2S -0.10305 0.07929 -0.28733 0.75506 0.04929 123 10 H 1S -0.01570 -0.02772 -0.39113 0.16217 0.02804 124 2S 0.08951 -0.46066 1.50027 -1.16633 -0.85328 125 11 H 1S 0.09020 -0.08333 0.04257 -0.02413 -0.04212 126 2S -0.49567 1.07867 0.06091 0.86764 0.69818 127 12 H 1S -0.03689 0.10483 0.42769 -0.09617 -0.05521 128 2S 0.30535 -1.16487 -1.88784 -0.37463 -0.20398 129 13 H 1S -0.13148 -0.04799 -0.04417 0.02156 -0.15712 130 2S 0.38768 0.81774 0.70543 0.58570 0.99064 131 14 O 1S -0.00262 0.00168 -0.00062 0.01000 -0.00597 132 2S -0.00097 0.03555 0.06865 0.04576 -0.01043 133 2PX 0.00825 -0.04945 0.01152 -0.11710 0.03987 134 2PY 0.01513 -0.06890 0.01556 -0.10861 0.05384 135 2PZ 0.00216 0.02159 -0.00165 -0.03769 0.03338 136 3S 0.34989 -0.22655 -0.17437 -0.68504 0.62290 137 3PX -0.00855 0.03025 -0.06247 0.14548 -0.10124 138 3PY -0.07449 0.11417 -0.03657 0.25245 -0.16073 139 3PZ 0.02712 -0.04214 0.04104 -0.07502 0.01413 140 4XX -0.00225 0.00417 0.01653 0.00927 -0.00810 141 4YY 0.02417 -0.00577 0.02503 -0.00009 0.04458 142 4ZZ -0.01395 0.01401 0.02036 0.01871 -0.03746 143 4XY -0.00897 0.01205 0.00754 0.00720 -0.00856 144 4XZ -0.00877 0.00786 0.00346 0.01823 -0.00308 145 4YZ -0.02133 0.00978 0.00803 0.03897 -0.04132 146 15 C 1S 0.00218 -0.01233 0.00313 0.01081 0.00393 147 2S 0.01186 -0.02891 0.02277 0.04373 0.05294 148 2PX 0.06392 -0.09495 0.07412 0.08199 0.02958 149 2PY -0.08592 -0.05458 -0.00598 0.17618 -0.09802 150 2PZ 0.08028 -0.03872 0.05606 0.18325 0.16255 151 3S -0.01954 -1.10876 0.41283 1.15496 -0.33988 152 3PX -0.45055 0.54926 -0.44391 -1.19547 -0.61427 153 3PY 0.07279 0.55536 -0.03053 -0.76396 0.28685 154 3PZ -0.30896 0.28436 -0.44988 -1.45655 -0.70043 155 4XX 0.00449 0.01644 -0.00919 -0.00260 0.01117 156 4YY 0.04356 -0.03545 0.01648 0.00650 0.01508 157 4ZZ -0.03680 -0.01547 0.00492 0.04358 -0.01650 158 4XY 0.03765 -0.01423 0.00077 0.00849 0.00085 159 4XZ -0.00770 -0.02487 0.01291 0.02417 0.01784 160 4YZ 0.02265 0.00739 -0.00136 -0.03468 0.02822 161 16 C 1S 0.01847 0.00750 -0.00442 -0.01492 0.01016 162 2S 0.02173 0.01454 0.01209 0.13812 -0.13935 163 2PX -0.21033 -0.01251 -0.00196 0.07635 -0.25792 164 2PY 0.11905 -0.11010 0.02562 0.03509 -0.00097 165 2PZ -0.34243 0.16111 -0.07150 0.02992 -0.27158 166 3S -0.88837 1.05311 -0.38136 -0.97326 -0.16072 167 3PX 1.18388 -0.23472 0.24164 0.05735 1.09539 168 3PY -0.39761 0.73724 -0.16602 -0.52270 0.27663 169 3PZ 1.67348 -1.03998 0.49549 0.71991 1.00676 170 4XX -0.03497 0.01282 -0.00436 0.02417 -0.03132 171 4YY 0.00764 0.01487 0.00065 0.01375 -0.01033 172 4ZZ -0.01717 0.01850 -0.01247 -0.04655 0.01009 173 4XY -0.01225 0.00212 0.00617 0.01986 -0.02456 174 4XZ -0.03282 0.03739 -0.02371 -0.04428 -0.00001 175 4YZ -0.03828 -0.00299 -0.00040 0.06250 -0.05689 176 17 C 1S -0.03319 -0.00125 -0.00175 -0.00519 0.00970 177 2S 0.11959 -0.02416 0.00452 0.11796 -0.23515 178 2PX -0.21222 0.08701 -0.06866 -0.06842 -0.08146 179 2PY -0.59589 0.30221 -0.15348 -0.35873 0.07158 180 2PZ 0.19380 -0.14623 0.06089 0.19264 -0.18444 181 3S 0.91830 -1.33543 0.67654 0.89346 1.43460 182 3PX 0.83551 -0.50415 0.28172 0.16958 0.59309 183 3PY 2.11339 -1.90107 0.84489 1.51963 0.28631 184 3PZ -0.55834 0.94094 -0.37093 -1.07874 0.61733 185 4XX 0.07119 0.01232 0.00039 0.01665 -0.01479 186 4YY -0.05294 -0.04723 0.00963 -0.01067 0.02084 187 4ZZ 0.04568 -0.03568 0.01786 0.05111 -0.02124 188 4XY -0.01127 -0.00424 -0.00225 -0.02430 0.03977 189 4XZ 0.04738 -0.01289 0.01043 0.02707 0.00630 190 4YZ 0.07792 0.05715 -0.01324 -0.01485 -0.00189 191 18 C 1S -0.00922 -0.01822 0.00545 0.00232 -0.00158 192 2S 0.02103 0.11070 -0.04930 -0.04399 -0.06123 193 2PX -0.09936 -0.51188 0.19063 0.25097 0.08949 194 2PY -0.04401 -0.34885 0.12806 0.07365 0.14306 195 2PZ -0.05339 -0.35827 0.13160 0.21369 0.04420 196 3S 0.10805 1.68006 -0.65640 -1.32510 -0.12916 197 3PX 0.17507 2.26430 -0.88459 -1.31564 -0.62354 198 3PY 0.42338 1.61051 -0.57243 -0.37022 -0.75373 199 3PZ -0.24135 1.53534 -0.63812 -1.18205 -0.36018 200 4XX -0.02000 0.00010 -0.00340 -0.00239 -0.01848 201 4YY 0.06621 0.05494 -0.01909 -0.02036 -0.02808 202 4ZZ -0.04258 0.04369 -0.01762 -0.03462 0.01083 203 4XY 0.01631 -0.01304 0.00158 0.00931 -0.05003 204 4XZ -0.06677 -0.01114 -0.00004 -0.01840 -0.00548 205 4YZ -0.02015 -0.05346 0.01851 0.02751 -0.02137 206 19 C 1S 0.03148 0.00548 0.00123 0.00957 -0.01385 207 2S -0.14163 -0.00863 -0.00394 -0.06834 0.14099 208 2PX 0.20608 0.15587 -0.05001 -0.07548 -0.16518 209 2PY -0.31212 -0.16952 0.06023 0.04142 0.16158 210 2PZ 0.42012 0.36497 -0.12217 -0.05234 -0.45300 211 3S -0.25994 -1.48097 0.61308 1.14475 0.67711 212 3PX -0.56012 -0.70519 0.30578 0.72365 0.73287 213 3PY 1.25686 1.14365 -0.40933 -0.54278 -0.35837 214 3PZ -1.43766 -1.85663 0.74157 1.05189 1.55838 215 4XX -0.03411 0.00268 0.00002 -0.01137 0.04559 216 4YY -0.04097 -0.05768 0.01553 -0.00962 0.05108 217 4ZZ 0.02030 -0.00827 0.01223 0.05921 -0.03427 218 4XY -0.03137 -0.01724 0.00440 -0.02044 0.04868 219 4XZ 0.03237 0.00683 0.00824 0.06324 -0.03003 220 4YZ -0.04441 0.03799 -0.01990 -0.04353 0.03536 221 20 C 1S -0.01166 0.01564 -0.00421 0.01656 -0.01444 222 2S -0.04388 -0.11357 0.01746 -0.06997 0.15120 223 2PX -0.05595 0.01516 -0.03114 -0.04700 -0.12344 224 2PY 0.19919 -0.00293 -0.06033 -0.52055 0.14655 225 2PZ -0.04829 -0.07749 0.05281 0.17577 -0.00596 226 3S 0.12037 1.15120 -0.68993 -1.30313 -1.59935 227 3PX -0.03987 -0.24715 0.13974 0.26503 0.61228 228 3PY -0.96851 -0.73624 0.51527 2.25281 0.18796 229 3PZ 0.31921 0.41352 -0.32738 -0.95748 0.05218 230 4XX 0.00607 -0.00302 -0.00653 -0.03130 -0.00206 231 4YY 0.02475 0.04507 -0.01144 0.03346 -0.04512 232 4ZZ -0.01716 -0.02266 -0.00249 -0.05978 0.03270 233 4XY 0.03817 0.05291 -0.01116 0.01977 -0.04190 234 4XZ -0.01482 0.00265 -0.01122 -0.03065 -0.02254 235 4YZ 0.02357 -0.01676 0.00790 -0.02858 0.03530 236 21 H 1S -0.05090 0.15755 -0.02670 0.23998 -0.16184 237 2S 0.52551 0.07060 -0.19673 -1.47525 0.30706 238 22 H 1S 0.33414 0.07755 0.01190 0.15762 -0.24714 239 2S -1.41293 -1.08078 0.36757 0.29623 1.19738 240 23 H 1S -0.13224 -0.25983 0.08268 0.08151 -0.06077 241 2S 0.29236 1.80637 -0.67416 -0.84893 -0.39763 242 24 H 1S -0.41199 -0.02340 -0.03263 -0.11560 0.07950 243 2S 1.65764 -0.90998 0.45283 0.99764 -0.22222 244 25 H 1S 0.15335 0.04234 -0.03502 -0.21557 0.14341 245 2S -1.12155 0.44576 -0.18429 -0.02855 -0.86420 246 26 O 1S -0.00422 -0.00099 0.00021 0.00223 -0.00736 247 2S -0.09832 0.03645 -0.00016 0.12558 -0.11762 248 2PX -0.05801 -0.07306 -0.02150 -0.04224 -0.12762 249 2PY 0.00013 0.02108 0.01313 0.01838 0.00893 250 2PZ 0.00214 -0.03564 -0.00399 0.01700 -0.03704 251 3S 0.21956 -0.17190 -0.04687 -0.34366 0.12802 252 3PX -0.03037 0.04161 0.02161 0.15167 -0.00935 253 3PY 0.00192 -0.02329 -0.01035 0.01162 0.02023 254 3PZ 0.06681 0.15304 0.03472 0.05318 0.22834 255 4XX -0.03871 -0.00326 -0.00337 0.02312 -0.05510 256 4YY -0.01571 0.01410 0.00513 0.04935 -0.01170 257 4ZZ -0.04686 0.00381 -0.00699 0.02975 -0.08068 258 4XY 0.00877 0.01410 -0.00484 -0.00936 0.02047 259 4XZ 0.01740 0.01975 -0.00491 -0.00511 0.02666 260 4YZ -0.00163 0.00820 -0.00171 -0.02530 0.01323 261 27 H 1S -0.10447 -0.14503 -0.00477 -0.06812 -0.20948 262 2S 0.05951 0.08222 0.00514 0.06133 0.08605 263 28 H 1S -0.13090 0.12767 -0.04259 -0.02779 -0.14915 264 2S 0.29227 -0.12644 0.19651 0.29685 0.59417 131 132 133 134 135 V V V V V Eigenvalues -- 1.14298 1.14467 1.15370 1.16618 1.17149 1 1 C 1S -0.00291 0.01251 0.01122 -0.00820 0.00554 2 2S 0.02060 -0.18771 -0.65770 -0.33707 0.07384 3 2PX 0.15404 0.26838 0.27530 0.03203 0.00353 4 2PY -0.22073 -0.20145 -0.51624 -0.00440 -0.06900 5 2PZ -0.07184 -0.12475 -0.17206 0.00657 0.06832 6 3S -0.58704 1.67681 2.18020 1.33275 -0.85959 7 3PX -0.67075 -0.63958 -0.54610 -0.22233 0.00346 8 3PY 1.03460 0.24402 1.06870 -0.81805 0.20184 9 3PZ 0.09652 -0.16023 0.12075 0.09694 -0.13947 10 4XX 0.02750 0.00454 -0.05778 -0.07101 -0.07448 11 4YY -0.02853 0.02291 0.01960 0.04275 0.05476 12 4ZZ -0.03929 -0.00804 -0.02158 0.01877 -0.00022 13 4XY 0.05069 -0.00158 -0.04567 -0.01494 -0.02787 14 4XZ -0.01230 0.00167 0.01494 0.02062 -0.03372 15 4YZ -0.01448 0.00480 0.00550 -0.00578 -0.00671 16 2 C 1S -0.00499 -0.00944 0.01060 -0.01408 -0.01008 17 2S 0.22283 -0.24351 0.19808 -0.17470 -0.12381 18 2PX 0.31931 -0.16390 -0.04122 0.02959 0.11461 19 2PY -0.19206 -0.07049 0.01298 -0.01509 -0.05785 20 2PZ 0.05741 0.09141 -0.06925 -0.02056 -0.03936 21 3S -2.13330 0.89925 -0.03631 0.26837 -0.24851 22 3PX -1.62321 1.11657 0.40168 -0.28113 -0.70629 23 3PY 0.22304 0.19731 -0.16403 0.41112 0.32295 24 3PZ 0.45797 -0.59480 -0.03547 0.03829 0.30461 25 4XX -0.02989 -0.04126 -0.00209 0.00678 0.00490 26 4YY -0.05362 0.00538 0.06486 -0.02922 -0.02696 27 4ZZ 0.06873 0.02145 -0.00550 -0.03773 -0.02997 28 4XY 0.05408 0.04116 -0.01981 -0.01257 0.01215 29 4XZ -0.04887 0.00201 0.00838 0.03794 0.01301 30 4YZ 0.01945 -0.02418 -0.04972 0.03674 0.03428 31 3 C 1S -0.01452 -0.00730 0.00666 0.00200 0.00153 32 2S -0.56364 -0.20507 0.11849 0.13174 0.00704 33 2PX 0.18156 0.07374 0.06637 -0.06118 0.06187 34 2PY -0.32557 0.07394 0.14744 -0.02976 -0.02366 35 2PZ -0.07550 -0.04305 0.04928 0.06562 0.00603 36 3S 1.17339 0.49461 -0.41916 -0.00025 -0.11358 37 3PX -1.23936 -0.14046 -0.11631 0.09527 -0.64783 38 3PY 2.27579 -0.95314 -0.90293 0.29253 0.58704 39 3PZ 0.21402 0.32467 0.05958 -0.15804 -0.01164 40 4XX -0.02281 -0.00215 0.00265 0.01221 0.00525 41 4YY -0.06115 -0.05862 0.01803 0.01772 0.00758 42 4ZZ -0.01419 0.00974 0.00455 0.00263 -0.01142 43 4XY -0.03102 0.07691 -0.03900 -0.00788 -0.00809 44 4XZ 0.04071 -0.00859 -0.00950 -0.01640 0.01080 45 4YZ 0.00050 -0.01802 0.00442 0.00326 0.01698 46 4 C 1S -0.00019 0.01050 0.00301 -0.00328 -0.00171 47 2S -0.16404 -0.03934 0.13294 0.10662 0.01677 48 2PX -0.10671 -0.22486 0.08845 0.00009 0.04917 49 2PY 0.16199 -0.20296 0.01016 0.04912 0.09865 50 2PZ -0.03323 0.15118 -0.10723 -0.00065 -0.00559 51 3S 0.66481 0.94673 -0.49038 -0.32708 0.11712 52 3PX 0.37639 0.78651 -0.74428 0.11634 -0.21528 53 3PY -1.09689 0.21819 0.45959 -0.21436 -0.39373 54 3PZ 0.08519 -0.41591 0.37977 -0.00345 0.16775 55 4XX -0.01235 -0.00668 0.02349 0.00333 0.00591 56 4YY -0.00280 0.04503 -0.00708 0.01042 -0.00656 57 4ZZ 0.00361 -0.02768 0.00818 0.00169 0.01165 58 4XY -0.02006 -0.01460 0.03497 -0.00075 0.00862 59 4XZ 0.00927 -0.01573 -0.00785 0.00419 -0.00740 60 4YZ 0.00146 -0.01730 -0.00180 0.00448 -0.00384 61 5 C 1S -0.00781 0.00604 -0.00760 0.00134 -0.00304 62 2S 0.29628 -0.09026 0.02583 -0.00497 -0.00213 63 2PX -0.04996 -0.25369 0.21433 0.01650 0.06019 64 2PY 0.18020 -0.04329 -0.05467 -0.03815 0.02242 65 2PZ 0.01075 0.10917 -0.06555 -0.01370 -0.02870 66 3S -1.46028 -0.33709 0.56053 -0.15657 -0.04951 67 3PX 0.48721 0.67579 -0.69014 -0.00907 -0.03553 68 3PY -0.22781 -0.30144 0.44443 0.08724 0.04069 69 3PZ -0.18665 -0.19398 0.13784 0.01465 -0.02085 70 4XX -0.01739 0.03735 -0.01747 0.00495 -0.01774 71 4YY 0.02254 -0.05470 0.02516 -0.00571 0.01075 72 4ZZ 0.02760 -0.01044 0.00357 -0.00286 0.00531 73 4XY 0.00310 0.06248 -0.04591 0.00371 -0.01254 74 4XZ 0.02158 -0.04723 0.03072 -0.00124 0.01733 75 4YZ -0.00373 -0.02173 0.02489 0.00343 0.00112 76 6 C 1S -0.00537 0.01078 -0.00857 0.00059 -0.00098 77 2S 0.52201 -0.10767 0.13736 -0.14329 0.06157 78 2PX 0.18696 -0.27466 0.14014 -0.02307 0.07847 79 2PY -0.23479 0.11979 -0.17450 0.03140 -0.04077 80 2PZ -0.02239 0.09711 -0.02361 0.00850 -0.04875 81 3S -0.93250 -0.08508 -0.39340 0.40392 0.03350 82 3PX -0.54747 0.43654 -0.02940 0.03407 -0.18676 83 3PY 0.96136 0.11504 0.12878 -0.03163 0.03859 84 3PZ 0.01476 -0.22992 -0.01970 -0.03533 0.17173 85 4XX 0.02333 0.02314 -0.02969 -0.00461 0.00227 86 4YY 0.03806 0.00901 0.00837 -0.00871 0.00093 87 4ZZ 0.03788 -0.04776 0.03679 -0.00908 0.00901 88 4XY 0.01430 -0.10699 0.06370 -0.00366 0.02495 89 4XZ 0.00035 -0.01225 0.02188 0.00010 0.00218 90 4YZ -0.00337 0.03261 -0.02623 -0.00278 -0.00199 91 7 C 1S -0.00451 0.01150 -0.00320 -0.00052 -0.00192 92 2S 0.25540 -0.02705 0.19544 -0.16143 0.11518 93 2PX -0.21756 -0.19232 -0.08884 0.07452 0.04568 94 2PY 0.07297 0.33917 -0.26090 0.02565 -0.08602 95 2PZ 0.07360 0.00678 0.04194 -0.06171 0.07968 96 3S -1.12348 -0.54012 0.03718 0.46770 -0.41339 97 3PX 0.82787 1.08911 0.00395 -0.24314 -0.24575 98 3PY -0.77606 -1.09732 0.95658 0.00708 0.04474 99 3PZ -0.16049 -0.21494 -0.09348 0.16552 -0.14373 100 4XX 0.03577 -0.03471 0.04104 -0.01502 0.01433 101 4YY -0.03892 0.03074 -0.00599 -0.00139 -0.01051 102 4ZZ 0.02821 -0.01576 0.02275 -0.01155 0.01400 103 4XY 0.02596 0.05834 -0.02320 -0.01190 -0.00731 104 4XZ -0.00569 -0.00660 -0.00364 0.00497 -0.00436 105 4YZ 0.00914 -0.03645 0.00916 -0.00302 0.01549 106 8 C 1S 0.00032 -0.01801 0.00666 0.00260 0.00038 107 2S -0.43906 -0.11917 -0.07675 0.04817 0.06692 108 2PX -0.07778 -0.20908 0.13684 0.08833 -0.14227 109 2PY 0.02881 0.07152 0.04114 -0.03586 -0.09281 110 2PZ 0.05479 0.08751 0.03771 0.01796 -0.11755 111 3S 2.42342 0.45810 -0.66838 -0.04097 0.02240 112 3PX 0.94188 1.12234 -0.81128 -0.26302 0.50163 113 3PY 0.18401 -0.86560 -0.20714 0.23104 0.41188 114 3PZ -0.53389 -0.34145 0.26505 -0.00688 0.08386 115 4XX -0.01836 -0.00699 -0.00659 -0.00164 -0.00173 116 4YY 0.00385 -0.01213 -0.03154 0.01044 0.01092 117 4ZZ -0.03013 -0.00042 -0.00056 -0.00014 0.00968 118 4XY -0.02533 -0.07227 0.01600 0.02041 -0.00234 119 4XZ 0.02045 0.03145 -0.00646 -0.01631 0.00717 120 4YZ 0.01501 0.04130 0.00879 -0.01074 -0.01659 121 9 H 1S -0.04778 -0.17358 0.04304 0.05014 -0.05797 122 2S 0.41982 0.71465 -0.46254 -0.16836 0.45352 123 10 H 1S -0.09756 0.22594 -0.10030 0.03034 -0.06793 124 2S 0.00314 -0.69379 0.69405 -0.14654 0.19675 125 11 H 1S -0.16688 0.28750 -0.21989 0.04926 -0.06230 126 2S 0.87543 -0.61394 0.44225 -0.13323 0.20047 127 12 H 1S -0.07980 0.17774 -0.17577 0.02867 -0.06147 128 2S 0.09715 -0.59487 0.42987 -0.01083 0.11217 129 13 H 1S -0.00322 0.17341 -0.03590 -0.01707 -0.02485 130 2S 0.54873 -0.55411 -0.06927 0.17332 0.27937 131 14 O 1S -0.01122 0.00478 -0.00192 0.00854 0.00377 132 2S -0.08532 0.03036 -0.17882 0.10820 0.10246 133 2PX 0.20652 0.09625 -0.04695 -0.05838 -0.09894 134 2PY 0.08094 -0.03927 -0.08110 0.10910 0.01930 135 2PZ -0.03450 0.06226 0.12398 -0.08362 -0.17204 136 3S 0.63505 -0.48011 0.34521 -0.43855 -0.21831 137 3PX 0.00008 -0.28089 0.03674 0.10439 0.20969 138 3PY -0.36369 0.17383 0.17479 -0.12112 -0.11920 139 3PZ 0.18644 -0.04252 -0.18954 0.03791 0.13151 140 4XX -0.00526 0.00839 -0.05399 0.04522 0.03777 141 4YY -0.00958 -0.01384 -0.08447 0.05086 0.04374 142 4ZZ -0.03946 0.01915 -0.06856 0.05583 0.05170 143 4XY -0.06003 0.00879 0.02571 0.01817 -0.00805 144 4XZ -0.01430 0.02769 -0.01810 0.00745 -0.00366 145 4YZ 0.00551 0.03884 -0.00669 -0.00624 -0.00225 146 15 C 1S 0.00416 -0.00288 -0.00104 -0.00808 -0.01399 147 2S 0.27395 0.25267 0.04159 0.05932 -0.58369 148 2PX 0.00724 0.05075 0.19711 0.04677 0.02581 149 2PY 0.13409 0.00544 0.05373 -0.05568 0.00846 150 2PZ -0.14841 0.19298 -0.03367 0.04054 -0.02064 151 3S -0.65226 -0.45112 0.15903 -0.23800 3.17213 152 3PX 0.54190 -0.52102 -0.62486 -0.91849 -0.17919 153 3PY -1.03805 -0.34619 -0.80956 0.07656 -0.41467 154 3PZ 1.13232 -1.01724 0.03373 -0.93615 0.34671 155 4XX -0.03041 0.00347 0.00578 0.02769 -0.01419 156 4YY 0.03242 0.01367 0.00580 -0.01038 -0.01115 157 4ZZ 0.03635 0.01955 -0.00604 -0.01768 -0.03514 158 4XY 0.02836 0.00709 0.00988 -0.00176 -0.00533 159 4XZ 0.00331 0.01220 0.00208 -0.02264 -0.04508 160 4YZ 0.00748 0.00388 -0.00851 -0.03775 -0.06651 161 16 C 1S 0.00287 0.01438 0.00206 0.00117 0.01124 162 2S -0.03016 -0.23165 0.21107 -0.05129 -0.50473 163 2PX 0.04741 -0.15457 -0.08540 -0.16371 0.03663 164 2PY 0.04352 0.03033 0.06057 0.07855 0.45599 165 2PZ 0.01496 -0.28379 -0.00797 -0.23994 -0.26146 166 3S -0.11697 0.27304 -1.51104 0.04487 1.25796 167 3PX -0.61169 0.71842 0.46279 0.63671 -0.70294 168 3PY -0.56831 -0.12810 -0.27000 0.07191 -2.37351 169 3PZ -0.18742 1.30879 0.43065 0.57242 0.80623 170 4XX -0.01393 -0.03519 -0.01842 -0.02158 -0.00882 171 4YY -0.03204 -0.02202 0.00304 -0.00348 -0.06257 172 4ZZ 0.03025 0.00844 0.02774 0.00543 -0.03012 173 4XY -0.00162 -0.00720 -0.01070 -0.02865 -0.01726 174 4XZ 0.02083 0.00858 -0.00569 0.03041 0.05056 175 4YZ 0.00013 -0.03064 -0.00350 -0.02667 0.03985 176 17 C 1S 0.00387 0.00188 -0.00044 0.00364 0.00634 177 2S -0.00317 -0.14366 0.10258 -0.43484 0.25848 178 2PX 0.09743 0.00569 -0.10178 0.04982 0.26555 179 2PY 0.09027 -0.00280 -0.19895 0.37906 -0.01054 180 2PZ 0.02098 -0.00200 -0.02404 -0.21803 0.31510 181 3S -0.57813 0.91076 0.20473 1.18220 -0.98359 182 3PX -0.36399 0.21886 0.55589 0.15635 -1.23548 183 3PY -0.29024 0.31565 0.82124 -0.52954 0.37519 184 3PZ -0.22507 -0.08061 0.26466 0.63330 -1.72345 185 4XX -0.01492 -0.00087 0.02941 -0.04457 -0.01697 186 4YY 0.02231 0.00193 0.00280 0.04228 0.06993 187 4ZZ -0.01288 -0.01051 0.00614 -0.07472 0.00232 188 4XY 0.01320 0.02608 0.01577 0.04468 0.00291 189 4XZ -0.02027 0.00223 0.00708 -0.02475 -0.02042 190 4YZ -0.02331 0.00881 0.00927 -0.02847 -0.06279 191 18 C 1S 0.00770 -0.00470 -0.00648 0.00757 0.00202 192 2S -0.17501 0.01618 -0.11532 -0.49217 0.57776 193 2PX 0.03919 -0.08988 0.00939 0.33692 -0.08351 194 2PY -0.02601 -0.12039 0.05957 0.28087 -0.06391 195 2PZ 0.05358 -0.05211 -0.01149 0.20226 -0.03109 196 3S 0.67803 -0.19505 0.10093 1.24050 -2.77170 197 3PX 0.16023 0.07616 -0.30487 -0.47251 0.12395 198 3PY 0.25273 0.28817 -0.51207 -0.63671 0.16069 199 3PZ 0.05180 -0.00110 -0.10975 -0.09430 -0.03349 200 4XX 0.00804 -0.00481 -0.02157 0.00249 0.05075 201 4YY 0.00033 0.01350 -0.01287 -0.04901 0.01831 202 4ZZ -0.02302 -0.00491 -0.00031 -0.03418 0.01416 203 4XY 0.03929 -0.01382 -0.03258 0.06108 0.03768 204 4XZ 0.01394 -0.02554 -0.02728 0.06134 0.01645 205 4YZ 0.01468 -0.01607 -0.02325 0.05723 0.04949 206 19 C 1S -0.00343 -0.00337 0.00149 0.01086 0.00233 207 2S -0.25557 0.08635 -0.09198 -0.32074 0.33206 208 2PX -0.01219 -0.11161 -0.10973 0.20473 0.13559 209 2PY -0.22557 -0.00982 -0.01307 -0.16482 0.26258 210 2PZ 0.15702 -0.08216 -0.17380 0.42228 -0.02353 211 3S 0.19316 -0.07729 0.98807 0.78491 -1.40232 212 3PX -0.12695 0.36844 0.45913 -0.56271 -0.97395 213 3PY 0.71626 0.11645 0.02209 0.05936 -1.37050 214 3PZ -0.78703 0.17823 0.71687 -0.80911 -0.13716 215 4XX -0.02825 0.01955 0.01889 -0.05039 -0.01566 216 4YY -0.02439 0.00502 0.00313 -0.04361 0.03425 217 4ZZ -0.02546 -0.01227 -0.01399 0.03246 0.02343 218 4XY -0.01564 0.00825 0.01925 -0.03113 -0.01661 219 4XZ -0.00893 -0.00332 0.01264 0.04080 -0.02540 220 4YZ 0.01136 0.02502 0.02070 -0.05686 -0.03941 221 20 C 1S -0.00690 -0.00457 -0.00048 -0.00713 -0.00979 222 2S 0.27816 0.24878 0.01118 -0.12195 -0.16462 223 2PX 0.05819 0.08107 -0.15314 -0.02507 0.24370 224 2PY 0.23396 0.09082 -0.14694 -0.15171 0.06015 225 2PZ -0.12061 -0.10151 -0.00397 0.01561 0.22571 226 3S 0.66053 -1.10643 -0.48464 0.00094 1.09951 227 3PX -0.02666 -0.09683 0.73941 -0.18396 -1.15572 228 3PY -0.96298 0.13559 0.72550 0.26124 -0.31490 229 3PZ 0.90049 0.15484 0.15029 -0.39244 -1.20361 230 4XX 0.02282 0.01058 -0.01453 0.00639 0.04571 231 4YY 0.02715 0.01192 0.00054 -0.01423 -0.06101 232 4ZZ 0.03510 0.00864 -0.00039 -0.02568 -0.00412 233 4XY -0.02792 -0.01720 -0.01887 0.03190 0.01729 234 4XZ 0.04169 0.00745 -0.00492 -0.00930 0.02179 235 4YZ -0.02995 0.01626 0.00313 0.01266 0.06039 236 21 H 1S -0.08149 -0.09872 0.01649 0.01975 -0.09961 237 2S 0.60398 0.22983 -0.37671 -0.20856 0.21610 238 22 H 1S 0.01429 -0.06586 -0.05880 0.32720 -0.00194 239 2S -0.61951 0.23909 0.36427 -1.06181 0.20131 240 23 H 1S 0.14396 -0.08829 -0.08778 0.33598 0.02312 241 2S -0.13569 0.28170 -0.15853 -1.04713 0.36605 242 24 H 1S 0.13436 0.05611 -0.05685 0.26642 0.12872 243 2S -0.23033 0.03492 0.48870 -0.93125 0.21835 244 25 H 1S 0.05683 0.14756 0.04909 0.17289 0.16843 245 2S -0.01852 -1.13632 -0.15976 -0.60696 -1.17815 246 26 O 1S -0.00845 -0.01143 -0.01088 0.00385 -0.00023 247 2S 0.00058 0.07060 -0.08415 -0.06449 0.28784 248 2PX 0.02879 -0.17849 -0.30256 -0.12433 -0.14256 249 2PY -0.06353 0.05383 0.09002 0.04332 -0.14390 250 2PZ 0.11101 -0.00404 -0.05803 -0.09946 0.01972 251 3S 0.35179 -0.06745 0.14394 -0.23650 -0.39502 252 3PX 0.03482 0.20598 0.28427 0.17502 0.06945 253 3PY 0.06545 -0.07095 -0.21803 -0.07904 0.20169 254 3PZ -0.38550 0.01326 0.16014 0.39108 -0.05424 255 4XX 0.01879 -0.01145 -0.05870 -0.02997 0.06991 256 4YY -0.01799 0.01052 -0.03959 -0.02376 0.06581 257 4ZZ -0.00084 0.00434 -0.04439 -0.02852 0.12806 258 4XY -0.02568 0.01479 0.02295 0.00703 -0.02346 259 4XZ 0.01009 0.03738 0.03457 0.02002 0.06501 260 4YZ -0.01370 -0.00041 0.02405 0.03266 0.00961 261 27 H 1S 0.03431 -0.22570 -0.25751 -0.11209 -0.24235 262 2S 0.07682 0.26692 0.13724 -0.03514 0.48936 263 28 H 1S -0.18930 0.25219 0.40915 0.19166 0.12849 264 2S -0.49074 -0.64814 -1.45943 -0.11715 -0.18513 136 137 138 139 140 V V V V V Eigenvalues -- 1.18560 1.19832 1.20366 1.21216 1.22806 1 1 C 1S -0.00779 -0.01406 -0.00290 0.00440 -0.00490 2 2S -0.14496 -0.16628 -0.02766 0.06322 0.11215 3 2PX 0.00067 -0.08685 -0.03647 0.04967 -0.21676 4 2PY -0.15543 -0.09787 -0.15745 0.02405 0.08569 5 2PZ -0.04012 0.01032 0.01550 0.02320 -0.02538 6 3S -0.02978 0.67834 -0.11191 -0.62861 0.32337 7 3PX 0.06311 0.01015 0.18618 0.00552 0.32973 8 3PY 1.48753 0.36501 0.37934 0.44578 0.29534 9 3PZ -0.51088 -0.10176 0.21862 -0.32857 -0.79557 10 4XX -0.01234 0.01054 -0.00105 -0.01627 0.04866 11 4YY -0.02424 -0.03789 -0.01462 0.01032 -0.02730 12 4ZZ -0.03240 -0.00373 0.00553 -0.03127 -0.02155 13 4XY 0.02652 0.00646 0.00584 -0.00175 -0.00345 14 4XZ -0.02176 0.00536 -0.00147 -0.00604 -0.00595 15 4YZ -0.02090 -0.00665 -0.00900 0.02429 0.03580 16 2 C 1S -0.00409 0.01779 0.00274 -0.01413 0.01232 17 2S 0.17051 0.40064 0.12448 -0.49835 0.04814 18 2PX 0.10598 0.09314 0.00287 -0.04485 -0.25325 19 2PY -0.04259 0.05588 -0.05042 0.09464 0.17094 20 2PZ -0.04494 -0.06433 0.04853 0.02725 -0.06514 21 3S -0.36363 -1.39625 -0.55541 1.75217 0.05378 22 3PX 0.28614 -0.14958 -0.18167 0.59285 1.24432 23 3PY -0.88681 -0.17644 -0.28943 -0.65557 -0.71041 24 3PZ 0.06893 0.21925 0.08972 -0.13106 -0.03971 25 4XX 0.00247 0.05050 0.03321 -0.07205 -0.03569 26 4YY 0.00193 0.00501 -0.01054 0.01593 0.04691 27 4ZZ 0.00921 0.00500 -0.01312 -0.00064 0.02157 28 4XY -0.02994 -0.01944 -0.02007 0.01478 0.00797 29 4XZ -0.04998 -0.01717 -0.00001 0.01921 0.01495 30 4YZ 0.02874 -0.01298 0.02210 0.00433 -0.07797 31 3 C 1S -0.00217 0.00145 0.00337 -0.00227 0.00040 32 2S 0.15901 0.21382 0.21694 -0.22275 -0.11733 33 2PX 0.06882 0.24771 -0.04463 -0.20183 0.01367 34 2PY -0.10403 0.12907 -0.11867 -0.05920 0.09667 35 2PZ 0.01051 -0.07268 0.03055 0.09669 0.08540 36 3S -1.73840 -1.52609 -1.26764 0.99076 0.11388 37 3PX 0.51693 -1.36041 0.12504 1.94975 0.30879 38 3PY -0.15567 -0.35045 0.64084 -0.19734 -0.62744 39 3PZ -0.18033 0.48693 -0.12972 -0.80642 -0.38669 40 4XX 0.01512 -0.01025 0.01475 0.00411 -0.03384 41 4YY -0.00697 0.01695 0.00283 -0.01479 -0.00898 42 4ZZ -0.00220 0.00883 0.00603 -0.01130 0.01462 43 4XY -0.05946 -0.05244 -0.03728 0.04273 0.05617 44 4XZ 0.03272 0.00598 0.00363 -0.00191 -0.02619 45 4YZ 0.00105 0.01593 0.00667 -0.01021 0.00399 46 4 C 1S -0.00420 0.00308 0.00105 -0.00053 0.00641 47 2S 0.01804 -0.27641 0.45362 0.19474 0.03051 48 2PX 0.18595 0.25113 0.22360 -0.21842 -0.03437 49 2PY -0.05207 -0.13775 0.04423 0.05719 -0.08730 50 2PZ -0.10633 -0.12375 -0.12302 0.08955 0.01785 51 3S -0.58535 1.06055 -2.11293 -0.97591 -0.17701 52 3PX -1.11792 -1.59814 -1.23163 1.57674 0.42468 53 3PY 0.12753 0.32028 -0.05039 0.09204 0.48127 54 3PZ 0.49996 0.75082 0.54255 -0.70764 -0.12853 55 4XX -0.02125 -0.00556 -0.00907 0.01014 0.00759 56 4YY 0.01303 -0.01832 0.05826 -0.00032 0.01448 57 4ZZ 0.00578 -0.01305 0.01551 0.01059 -0.02170 58 4XY 0.01537 0.06427 0.03932 -0.07148 -0.00393 59 4XZ 0.00467 -0.01041 0.00627 0.01107 0.00074 60 4YZ -0.02092 -0.01979 -0.03073 0.02628 0.01249 61 5 C 1S -0.00107 -0.01386 0.00905 0.01061 0.01378 62 2S -0.30493 -0.71172 0.45850 0.31475 0.44281 63 2PX -0.24949 -0.11743 0.20606 -0.02675 0.12229 64 2PY -0.25957 -0.03160 -0.50981 0.14760 -0.07712 65 2PZ 0.18531 0.07610 0.02618 -0.01256 -0.02259 66 3S 1.13082 2.66611 -1.89758 -0.63918 -1.56766 67 3PX 0.24255 0.14371 -1.06569 0.24107 -0.39667 68 3PY 1.30864 0.31061 2.96334 -1.15696 0.33052 69 3PZ -0.44163 -0.20715 -0.18708 0.12197 0.00413 70 4XX 0.00008 -0.06945 0.09524 0.01724 0.06691 71 4YY -0.03750 -0.00743 -0.04293 0.02225 -0.00230 72 4ZZ -0.02247 -0.03467 0.01681 0.01473 0.01225 73 4XY -0.00962 -0.03071 -0.03883 0.01732 0.00449 74 4XZ -0.01568 0.03124 -0.03538 -0.01395 -0.03082 75 4YZ 0.00285 0.01622 0.03024 -0.02028 0.00253 76 6 C 1S -0.00174 0.00020 -0.00356 -0.01001 -0.00018 77 2S -0.45123 -0.15074 -0.24229 -0.25467 0.02853 78 2PX -0.22412 0.10596 -0.35681 0.04700 -0.11666 79 2PY 0.17691 0.22976 -0.42501 0.13050 -0.22587 80 2PZ 0.05127 -0.10537 0.24315 -0.05738 0.06626 81 3S 2.02299 1.10925 1.25188 0.42448 -0.30495 82 3PX 0.31183 -0.81460 1.87357 -0.33181 0.75545 83 3PY -0.10769 -0.94855 2.53583 -1.06186 0.98577 84 3PZ -0.07077 0.58857 -1.33332 0.41674 -0.39735 85 4XX -0.02127 0.03705 -0.09875 -0.02402 -0.03137 86 4YY -0.00898 -0.05406 0.08045 -0.02337 0.04315 87 4ZZ -0.03582 0.00123 -0.01549 -0.00333 -0.00833 88 4XY -0.01188 0.02485 0.00593 0.02575 -0.00751 89 4XZ -0.00959 -0.02698 0.04169 0.00637 0.02581 90 4YZ 0.00016 -0.00523 -0.02540 0.00505 -0.00554 91 7 C 1S -0.00116 0.00771 -0.01301 -0.00241 -0.00474 92 2S -0.38857 0.44523 -0.67593 -0.20935 -0.19430 93 2PX 0.17116 0.20587 -0.25484 0.22349 -0.15143 94 2PY 0.35441 0.00840 0.13922 -0.12340 -0.09602 95 2PZ -0.12238 -0.09203 0.06668 -0.01583 0.13486 96 3S 1.60696 -1.93327 2.81457 1.22061 0.59980 97 3PX -1.01657 -1.08376 1.38517 -1.50568 0.88191 98 3PY -0.43716 -0.31020 -0.51558 1.13692 -0.06342 99 3PZ 0.45770 0.50769 -0.43697 0.24619 -0.56793 100 4XX -0.03644 0.00506 0.02477 -0.03058 0.00678 101 4YY 0.01675 0.03717 -0.12349 0.04626 -0.05411 102 4ZZ -0.04398 0.01346 -0.00693 -0.02479 0.01560 103 4XY -0.02108 -0.01385 0.02411 -0.05467 0.01952 104 4XZ 0.00436 0.00827 -0.01828 0.01320 -0.01438 105 4YZ 0.00088 -0.00343 0.01533 0.02033 0.00908 106 8 C 1S 0.00707 -0.00787 0.00005 0.01912 -0.00107 107 2S -0.18473 0.26452 -0.26698 0.13731 0.21423 108 2PX 0.28736 -0.19702 0.03365 0.33345 -0.25200 109 2PY -0.17211 -0.11900 -0.07189 -0.03314 0.07229 110 2PZ -0.13202 0.11631 0.03841 -0.27107 -0.05781 111 3S 0.00500 -0.77966 1.38473 -1.50589 -0.44496 112 3PX -1.01342 1.01209 -0.02037 -1.93423 0.76016 113 3PY 1.10607 0.44082 0.49186 0.60200 -0.47728 114 3PZ 0.27534 -0.48673 -0.17764 0.94321 0.15610 115 4XX 0.01400 0.01914 -0.03720 0.03224 -0.00100 116 4YY -0.02767 0.00875 0.01972 -0.02842 0.01692 117 4ZZ -0.02498 0.01937 -0.01393 -0.00081 0.02952 118 4XY 0.05005 -0.00435 -0.00118 0.06027 -0.03734 119 4XZ -0.01749 -0.00546 0.01554 -0.02449 0.01319 120 4YZ -0.01309 0.00516 0.00147 -0.03297 -0.00508 121 9 H 1S 0.13378 -0.16044 0.01830 0.29550 -0.02828 122 2S -0.56291 0.95789 0.01164 -1.19682 0.51220 123 10 H 1S 0.15331 0.01576 -0.06497 0.03283 -0.09342 124 2S -0.78356 -0.01800 -0.37457 0.22175 0.11054 125 11 H 1S 0.09798 0.00653 -0.02588 -0.06112 -0.02356 126 2S -0.59491 -0.08595 -0.11010 -0.21914 0.05433 127 12 H 1S 0.13293 -0.03433 0.04114 0.04019 0.02179 128 2S -0.77672 -0.48106 0.14098 0.18944 0.31759 129 13 H 1S 0.01952 0.11424 -0.03449 -0.09943 -0.02769 130 2S 0.08164 -0.23959 0.38311 0.06460 -0.33337 131 14 O 1S -0.00939 -0.00896 -0.00541 0.00345 -0.00530 132 2S -0.13325 -0.17310 -0.05527 0.04337 -0.09565 133 2PX 0.02905 0.00573 -0.06989 0.09980 0.04558 134 2PY 0.06178 -0.00912 0.09089 -0.01843 -0.15084 135 2PZ -0.04033 0.05336 0.00509 0.03737 0.23802 136 3S 0.75089 0.74303 0.39443 -0.21243 0.40284 137 3PX -0.04136 0.04474 0.09018 -0.17687 -0.23393 138 3PY -0.19528 -0.08702 -0.23322 0.12933 0.31462 139 3PZ 0.16715 -0.03264 0.09419 -0.03056 -0.26905 140 4XX -0.02313 -0.04325 0.00810 0.00587 -0.05933 141 4YY -0.03600 -0.04842 -0.01913 0.00000 -0.03717 142 4ZZ -0.04796 -0.08062 -0.01803 0.03443 -0.06363 143 4XY -0.02315 -0.01080 -0.00018 0.00606 0.00854 144 4XZ -0.03795 -0.03234 -0.01660 0.01747 -0.00515 145 4YZ -0.01897 -0.04063 -0.01358 0.02685 -0.00255 146 15 C 1S -0.00008 0.00140 0.00113 -0.00036 -0.00426 147 2S -0.18419 0.03866 0.00300 -0.13688 0.03083 148 2PX 0.08441 -0.03389 0.00899 0.06757 -0.12096 149 2PY 0.23756 -0.00981 -0.12502 0.04772 0.18529 150 2PZ -0.36757 0.02841 0.05754 -0.15072 -0.12496 151 3S 0.88904 -0.17281 -0.01899 0.48818 -0.45983 152 3PX 0.27771 -0.14039 0.26433 0.09661 -0.12869 153 3PY -2.02875 -0.50449 0.62452 -0.49589 -1.59231 154 3PZ 2.45108 0.00058 -0.14368 1.06678 0.91227 155 4XX -0.03457 -0.00340 -0.00320 0.00571 0.01476 156 4YY 0.03102 0.02312 0.00081 -0.02498 0.01896 157 4ZZ -0.01891 -0.00810 0.00265 -0.00031 -0.02734 158 4XY 0.01943 -0.00380 -0.00587 0.01908 0.00244 159 4XZ -0.00756 0.01108 0.00669 -0.00195 0.00789 160 4YZ 0.00258 0.02645 0.00763 -0.01635 0.05711 161 16 C 1S 0.00010 0.00208 -0.00143 -0.00292 -0.00610 162 2S 0.25146 -0.33124 -0.21076 0.08049 -0.34170 163 2PX 0.06071 0.09322 0.07707 -0.11154 -0.00124 164 2PY 0.18538 0.06376 -0.01298 0.11354 0.10247 165 2PZ 0.09397 -0.10471 0.00865 0.12196 -0.11658 166 3S -1.91650 1.11509 1.20432 -0.49655 0.34134 167 3PX -0.93232 -0.43522 -0.19416 -0.18100 -0.38249 168 3PY -1.51028 -0.57618 0.12090 -0.65920 -0.96666 169 3PZ -0.41176 0.33814 -0.16578 -0.53956 0.45552 170 4XX 0.01257 0.01312 -0.00558 -0.00804 0.01810 171 4YY -0.05007 -0.03380 0.00500 0.00545 -0.06796 172 4ZZ 0.04749 -0.02789 -0.02361 0.00224 -0.01562 173 4XY -0.02048 0.02208 0.02124 -0.01752 0.00123 174 4XZ 0.03124 -0.00323 -0.01779 0.00348 0.01210 175 4YZ 0.02191 0.01410 0.00126 0.03577 0.02871 176 17 C 1S 0.01111 -0.00458 -0.00915 -0.00428 0.01083 177 2S 0.55628 -0.31294 -0.33474 -0.37075 0.36558 178 2PX -0.02975 0.26488 0.15122 0.11782 0.12947 179 2PY -0.10183 0.13418 0.04709 -0.05036 0.16697 180 2PZ -0.00406 0.24036 0.18258 0.12061 0.01711 181 3S -2.31105 1.55292 1.28331 1.33688 -0.86403 182 3PX 0.01928 -1.19693 -0.79346 -0.88723 -0.45807 183 3PY 0.28345 -0.21456 -0.21054 0.08646 -0.17117 184 3PZ 0.03884 -1.47624 -0.91481 -0.79088 -0.47100 185 4XX 0.02139 -0.04231 -0.02274 0.01127 -0.01616 186 4YY 0.07276 -0.03408 -0.05108 -0.05591 0.05524 187 4ZZ 0.00265 0.02915 0.01881 -0.00440 0.02073 188 4XY 0.03374 -0.03975 -0.04620 -0.03186 0.02123 189 4XZ -0.01995 0.01110 0.01125 0.01576 -0.00638 190 4YZ -0.02006 -0.02348 -0.00798 -0.00312 -0.03168 191 18 C 1S -0.00247 -0.00147 0.00267 -0.00897 -0.00015 192 2S -0.04946 -0.06479 0.11572 -0.34858 0.04037 193 2PX -0.01056 0.06650 0.00067 0.03879 0.06368 194 2PY 0.18700 -0.31465 -0.24792 -0.28676 0.08993 195 2PZ -0.12501 0.32670 0.19001 0.29754 0.00930 196 3S 0.10525 0.23695 -0.29554 1.27327 -0.09995 197 3PX 0.07279 -0.24790 -0.01815 -0.11291 -0.20420 198 3PY -0.90446 1.91919 1.34521 1.74361 -0.07932 199 3PZ 0.61908 -1.77807 -1.05361 -1.65941 -0.19663 200 4XX -0.00134 -0.00709 0.00472 -0.03671 0.00724 201 4YY -0.02903 0.05079 0.04507 0.02894 -0.01300 202 4ZZ 0.01814 -0.05592 -0.02913 -0.04968 0.00745 203 4XY -0.02231 0.03343 0.03362 0.02988 -0.01990 204 4XZ 0.01525 -0.03362 -0.02173 -0.06395 0.02035 205 4YZ -0.00282 0.00580 0.00823 -0.01250 0.00047 206 19 C 1S -0.00982 0.00265 0.00733 0.00804 -0.01881 207 2S -0.42916 0.15955 0.39017 0.40848 -0.65388 208 2PX 0.04407 -0.20406 -0.09655 -0.27239 -0.00261 209 2PY 0.02002 -0.34264 -0.12043 -0.27599 -0.12638 210 2PZ -0.03301 -0.01751 -0.03740 -0.10433 0.07549 211 3S 1.67622 -0.63008 -1.68015 -1.65187 2.78561 212 3PX -0.23805 1.36501 0.44313 1.38447 0.71733 213 3PY -0.07519 1.87651 0.71998 1.75161 0.87969 214 3PZ 0.02391 0.29137 0.01323 0.36597 0.27526 215 4XX -0.01350 0.03546 0.02170 0.03546 0.00067 216 4YY -0.00185 -0.04762 -0.00681 -0.02801 -0.03784 217 4ZZ -0.05844 0.03641 0.04129 0.05521 -0.05592 218 4XY 0.01612 -0.00927 -0.01247 -0.01798 0.01722 219 4XZ -0.03450 0.05550 0.02630 0.05256 -0.00559 220 4YZ 0.01806 0.01879 -0.00508 0.02275 0.02735 221 20 C 1S -0.00236 0.00281 -0.00316 0.00648 0.00600 222 2S -0.06248 0.24378 0.12598 0.43086 -0.20978 223 2PX -0.09958 -0.18626 0.00874 -0.00380 -0.27320 224 2PY 0.00535 -0.04289 0.08002 -0.04807 -0.18101 225 2PZ 0.02381 -0.08959 -0.00003 -0.06066 -0.13957 226 3S 1.59333 -1.40057 -0.50439 -1.04632 0.10267 227 3PX 0.86721 0.94950 -0.15357 0.56705 1.68305 228 3PY -0.25095 0.28064 -0.32736 -0.01236 0.67944 229 3PZ 0.85877 0.82520 -0.01865 0.69938 1.45101 230 4XX -0.01244 -0.02494 0.00684 0.00026 -0.06791 231 4YY -0.01296 0.04682 0.01298 0.05875 0.01702 232 4ZZ 0.04042 0.00641 -0.00110 0.01570 0.00953 233 4XY -0.03264 0.00111 0.00892 0.00766 -0.02758 234 4XZ 0.02821 -0.02716 -0.00684 -0.00429 -0.02994 235 4YZ -0.01996 -0.02697 0.00680 -0.05323 -0.03992 236 21 H 1S 0.04332 0.04791 -0.07362 0.07771 0.21559 237 2S -0.00675 -0.09126 0.28621 0.05820 -0.59860 238 22 H 1S -0.09816 0.04446 0.02299 0.01952 -0.02269 239 2S -0.13113 -0.01530 0.13217 0.29037 -0.32623 240 23 H 1S -0.00135 0.00191 0.00364 -0.02244 -0.00341 241 2S -0.07205 -0.11491 0.09733 -0.19849 -0.12777 242 24 H 1S 0.06920 0.03891 -0.05753 -0.03810 0.14474 243 2S 0.35635 -0.26333 -0.17281 -0.08318 -0.10054 244 25 H 1S 0.01560 0.03084 0.01548 0.02467 -0.09543 245 2S 0.31438 -0.38753 0.04283 0.36728 -0.48809 246 26 O 1S -0.00806 -0.00068 0.00237 -0.00240 -0.00525 247 2S 0.03051 -0.16692 -0.10972 0.33539 0.17776 248 2PX -0.07667 -0.04019 0.05365 -0.05833 -0.03432 249 2PY -0.09875 -0.14545 0.02071 -0.09862 -0.28828 250 2PZ 0.09863 -0.05308 -0.05660 0.20521 0.12088 251 3S 0.33931 0.30963 0.19240 -0.38964 -0.11179 252 3PX -0.02331 0.00799 -0.04896 -0.03938 -0.10040 253 3PY 0.13151 0.10782 -0.11113 0.18540 0.42918 254 3PZ -0.30030 0.06704 0.02642 -0.33975 -0.23968 255 4XX 0.01896 -0.04431 -0.02816 0.08508 0.04016 256 4YY 0.00254 -0.04412 -0.03387 0.10906 0.06890 257 4ZZ 0.01386 -0.05483 -0.02724 0.11758 0.05494 258 4XY -0.01566 -0.01179 -0.01684 0.01369 0.02999 259 4XZ 0.02895 -0.01904 -0.02433 0.03777 0.01900 260 4YZ 0.01516 0.01251 -0.00481 -0.01739 0.00915 261 27 H 1S -0.11168 0.07531 0.15955 -0.26598 -0.14188 262 2S 0.24844 -0.15690 -0.20651 0.51785 0.35133 263 28 H 1S -0.17668 -0.17426 -0.02670 0.02785 -0.07283 264 2S -0.48775 -0.13934 -0.14563 -0.11134 0.20901 141 142 143 144 145 V V V V V Eigenvalues -- 1.24591 1.25398 1.27257 1.29684 1.31367 1 1 C 1S -0.00831 0.00353 0.00290 -0.00367 0.01084 2 2S -0.34768 -0.00800 -0.13647 -0.26503 0.21706 3 2PX 0.09560 0.11194 -0.06399 0.03394 -0.02688 4 2PY 0.19237 0.23184 0.23226 -0.11848 -0.17405 5 2PZ -0.00204 0.07574 0.14666 0.07175 0.01580 6 3S 1.35655 -0.25515 -0.89115 -0.25907 -0.21850 7 3PX -0.47403 -0.50712 0.17037 -0.44986 0.10488 8 3PY -1.39517 -0.97748 -0.79778 -0.47523 0.84904 9 3PZ 0.28147 0.09281 0.19091 0.77759 -0.13836 10 4XX -0.04721 -0.04040 -0.11644 -0.10793 0.06572 11 4YY 0.01648 0.02020 0.04162 -0.01117 -0.00278 12 4ZZ 0.06341 0.02679 0.03109 0.05278 -0.00795 13 4XY -0.05176 -0.00073 -0.04897 -0.02794 -0.00753 14 4XZ 0.01458 0.00162 -0.02224 0.00406 -0.00408 15 4YZ -0.03988 0.01164 0.03566 0.09943 -0.08015 16 2 C 1S -0.00183 -0.01955 -0.00182 0.01824 0.01364 17 2S -0.02964 -0.39011 -0.08049 0.21569 0.06578 18 2PX -0.05455 0.00681 0.22036 0.27279 0.02393 19 2PY -0.09964 0.08209 0.04201 -0.04309 -0.01545 20 2PZ 0.04497 0.03818 -0.08744 -0.11849 0.14122 21 3S -0.00068 -0.14715 0.01885 -1.06946 -0.13905 22 3PX -0.43726 -0.68670 -1.13573 -2.24130 0.27009 23 3PY 0.67776 0.49112 0.34385 0.40963 -0.52403 24 3PZ 0.13671 0.29775 0.50511 1.01662 -0.35355 25 4XX 0.02638 0.02404 0.06825 0.03779 -0.03034 26 4YY 0.01681 -0.10172 -0.00902 0.05118 0.00620 27 4ZZ -0.04501 -0.02828 -0.07863 -0.04433 0.05401 28 4XY 0.01802 0.04498 0.00898 0.04065 0.01736 29 4XZ 0.01224 0.03318 0.03534 0.05650 -0.03542 30 4YZ -0.00657 0.07922 0.01084 -0.08069 -0.04550 31 3 C 1S -0.00020 -0.00459 0.00742 -0.01378 -0.02057 32 2S 0.19897 -0.12148 0.26611 -0.21370 -0.50076 33 2PX -0.16611 0.09893 0.10754 -0.05729 -0.03202 34 2PY -0.22016 0.02268 0.16794 -0.18270 0.00273 35 2PZ 0.18612 -0.05929 -0.09056 0.03870 -0.02034 36 3S 0.48215 0.15270 0.09431 -0.14764 1.41412 37 3PX 0.77991 -1.39468 -1.09737 -0.00852 0.59415 38 3PY 1.74771 0.58948 -0.54775 3.11732 -0.34026 39 3PZ -0.84266 0.46348 0.49537 -0.73978 -0.02976 40 4XX 0.02590 -0.01956 -0.02044 0.00120 -0.03585 41 4YY 0.01637 0.00347 0.09247 -0.04729 -0.02324 42 4ZZ -0.00081 -0.00932 -0.01371 0.01856 -0.02449 43 4XY -0.00167 0.02891 -0.01809 -0.01962 0.02307 44 4XZ -0.04055 -0.00218 -0.00038 -0.01850 0.04823 45 4YZ 0.01023 0.00205 0.02444 0.09730 -0.00912 46 4 C 1S -0.00876 0.01203 -0.01574 -0.00135 0.00568 47 2S -0.27034 0.57676 -0.57706 -0.43280 0.03952 48 2PX -0.21874 0.15791 0.17072 0.00991 -0.01674 49 2PY -0.01858 0.13163 -0.10673 -0.19279 0.02801 50 2PZ 0.08744 -0.07136 -0.01419 0.08380 0.00229 51 3S 0.75558 -1.39436 1.57699 0.49978 -0.81937 52 3PX 2.02459 -0.95619 -1.03369 0.66828 0.18872 53 3PY -0.29807 -0.74396 0.41688 0.19473 0.06964 54 3PZ -0.75178 0.52900 0.32397 -0.39260 -0.15321 55 4XX -0.02444 0.02281 -0.02627 -0.06806 -0.03132 56 4YY -0.00234 0.05956 -0.06392 0.01582 0.01274 57 4ZZ -0.02857 0.02328 -0.01093 -0.03360 0.01946 58 4XY -0.04104 0.04154 0.04099 -0.01363 -0.03892 59 4XZ 0.01919 -0.01678 -0.00282 0.02651 0.01360 60 4YZ 0.03462 -0.02376 0.00428 0.02666 -0.00324 61 5 C 1S 0.01035 0.00222 -0.00448 0.01276 0.01242 62 2S 0.28214 -0.03567 -0.16405 0.44481 0.35148 63 2PX -0.04208 0.24014 0.02913 -0.17002 -0.00312 64 2PY 0.21148 -0.21352 -0.00066 0.02203 -0.05222 65 2PZ -0.04016 -0.06775 -0.02125 0.04624 0.01871 66 3S -1.47194 -0.51083 0.26760 -1.12345 -1.12478 67 3PX 0.54879 -0.58721 -0.45993 0.34632 -0.22048 68 3PY -1.70262 1.58491 0.32591 -0.21673 0.56327 69 3PZ 0.16246 -0.05611 0.13095 -0.04098 -0.02690 70 4XX 0.02870 0.01688 0.00320 0.05598 0.04454 71 4YY 0.01049 -0.02950 -0.01579 0.02428 -0.00949 72 4ZZ 0.00521 0.00442 -0.00633 -0.00252 0.01896 73 4XY 0.05347 -0.04862 0.01867 0.01172 -0.01008 74 4XZ -0.01602 0.01543 -0.00526 -0.01898 -0.02359 75 4YZ -0.01761 0.03154 -0.00862 -0.01379 -0.00760 76 6 C 1S 0.00550 -0.01766 0.02018 -0.01139 -0.01930 77 2S 0.11370 -0.66378 0.61814 -0.19238 -0.46792 78 2PX 0.10291 0.02183 -0.09870 -0.12566 -0.02705 79 2PY 0.01045 -0.06113 -0.15855 0.06322 0.00870 80 2PZ -0.03997 0.00580 0.06625 0.03807 0.01030 81 3S -0.90460 2.91126 -2.77134 1.93792 1.97282 82 3PX -0.51532 -0.07494 1.02267 -0.21849 0.19251 83 3PY -0.34630 0.61471 1.26855 -0.55955 0.09419 84 3PZ 0.24689 -0.11000 -0.65592 0.20037 -0.09106 85 4XX 0.02247 -0.04213 0.03651 -0.02174 -0.04137 86 4YY -0.00553 -0.03928 0.05541 0.00309 -0.01818 87 4ZZ 0.00032 -0.00879 -0.00402 -0.00658 -0.00838 88 4XY -0.02959 0.06342 -0.06965 0.05073 0.04929 89 4XZ 0.00256 0.00664 0.00870 0.01208 0.00393 90 4YZ 0.00537 -0.02014 0.02123 -0.02252 -0.00279 91 7 C 1S -0.01379 0.01470 -0.01002 -0.01289 0.00453 92 2S -0.39751 0.34797 -0.21186 -0.32331 0.26284 93 2PX 0.10224 0.12930 -0.28456 0.22184 0.02527 94 2PY -0.01956 -0.14682 0.11439 -0.05119 0.08346 95 2PZ -0.08795 -0.03473 0.12009 -0.09776 -0.00519 96 3S 1.26102 -1.83630 0.69925 0.95555 -0.44757 97 3PX -0.62852 -0.33576 2.46796 -2.20018 -0.44576 98 3PY 0.18564 -0.38771 -0.66215 -0.20271 0.01523 99 3PZ 0.35399 0.24807 -1.00169 0.99283 0.12267 100 4XX -0.01898 0.01493 -0.00550 0.01219 -0.00049 101 4YY -0.04196 0.00463 -0.04083 -0.10310 0.04311 102 4ZZ -0.00681 0.01973 0.00468 0.02451 -0.00012 103 4XY -0.02423 -0.02750 0.06169 -0.03744 -0.01183 104 4XZ 0.01028 0.00533 -0.02892 -0.00141 -0.00259 105 4YZ 0.00531 0.01367 -0.01597 0.03869 0.01472 106 8 C 1S 0.00349 0.00033 -0.00688 -0.00451 0.01279 107 2S 0.13847 0.51467 -0.14346 0.29551 0.27898 108 2PX 0.09498 -0.23262 -0.07298 -0.19024 -0.04996 109 2PY -0.11586 -0.08533 0.30474 -0.36937 0.09437 110 2PZ 0.09950 0.14278 -0.09658 0.18809 -0.05085 111 3S 0.31343 -0.75513 1.31034 -0.33655 -1.10993 112 3PX -0.56478 1.50691 0.81661 0.99661 -0.24877 113 3PY 1.20349 0.03400 -1.82673 3.44518 -0.29247 114 3PZ -0.16292 -0.68402 0.18775 -1.13374 0.22578 115 4XX -0.02899 0.03023 -0.00245 -0.02465 0.05929 116 4YY 0.05725 0.04538 -0.00386 0.02687 -0.01495 117 4ZZ 0.00052 0.02639 -0.00907 0.06848 -0.01145 118 4XY 0.04242 -0.03454 -0.04074 0.01052 0.00580 119 4XZ -0.01698 0.00199 -0.00192 0.01503 -0.00387 120 4YZ -0.03850 0.00053 -0.01400 -0.03763 -0.00552 121 9 H 1S 0.03361 -0.16335 -0.04696 0.04872 0.06345 122 2S -0.09100 1.36372 -0.14651 1.82512 -0.10641 123 10 H 1S -0.03790 -0.02836 -0.08228 -0.15362 0.03483 124 2S -0.16594 0.14794 -0.20278 -0.28104 0.02704 125 11 H 1S 0.09836 -0.08088 0.17234 -0.15033 -0.20244 126 2S 0.15625 -0.10701 0.23695 -0.23613 -0.24521 127 12 H 1S 0.12815 -0.03586 0.08036 0.08377 0.10820 128 2S 0.17185 0.17860 0.03467 0.00152 0.12226 129 13 H 1S -0.06304 0.07978 0.01874 0.05170 0.04147 130 2S -0.18702 0.78630 -0.42335 -0.49350 0.03130 131 14 O 1S 0.00212 0.00761 -0.00041 -0.00367 -0.01083 132 2S -0.01815 0.12007 0.02219 -0.10137 -0.05045 133 2PX 0.15850 0.05201 -0.07958 0.05969 0.07353 134 2PY 0.05272 0.25022 -0.06820 -0.23577 -0.29857 135 2PZ 0.05004 -0.03726 -0.12279 -0.08700 -0.13093 136 3S -0.23916 -0.33133 -0.03059 0.39829 0.32203 137 3PX -0.16386 -0.00323 0.30761 0.22893 -0.14062 138 3PY -0.05074 -0.42752 -0.00973 0.23924 0.34953 139 3PZ -0.11607 0.06649 0.03026 -0.04120 0.28488 140 4XX 0.00287 0.07424 0.01697 -0.02018 -0.03644 141 4YY -0.02046 0.06275 0.00333 -0.03596 -0.02785 142 4ZZ 0.00068 0.06896 0.00657 -0.07384 -0.04492 143 4XY -0.00223 0.00493 0.00123 -0.02760 -0.03477 144 4XZ 0.02982 0.02915 0.00626 -0.00591 -0.02142 145 4YZ 0.01816 -0.01544 -0.02608 -0.00887 0.02914 146 15 C 1S 0.00408 0.01044 -0.01555 0.01246 -0.02810 147 2S 0.07700 0.28123 -0.48671 0.27089 -0.71578 148 2PX 0.00427 -0.03225 -0.02278 0.03156 0.07937 149 2PY 0.25435 0.02320 0.05513 -0.21930 -0.02763 150 2PZ -0.07509 0.03264 -0.07411 0.20632 0.13830 151 3S -0.43623 -0.72756 1.45543 0.20268 2.03764 152 3PX -0.44988 -0.01157 -0.01394 -0.35553 -0.27579 153 3PY -1.20753 0.09999 -0.05012 1.40309 0.02965 154 3PZ 0.13507 -0.32385 0.39824 -1.57661 -0.52665 155 4XX -0.00276 0.03497 0.04566 0.08784 -0.06411 156 4YY 0.02334 -0.00114 -0.06364 -0.01968 -0.04864 157 4ZZ -0.02328 0.00206 -0.04971 -0.00661 0.02750 158 4XY -0.02271 0.00507 0.00645 0.03017 -0.05339 159 4XZ -0.04195 0.00155 -0.06374 -0.00133 -0.00724 160 4YZ -0.04570 -0.04942 -0.07530 -0.07676 0.04647 161 16 C 1S -0.00990 0.00533 0.01250 0.00959 0.00329 162 2S -0.16013 0.14981 0.43514 0.21697 -0.19064 163 2PX 0.26561 0.09691 0.03229 0.11834 -0.07500 164 2PY 0.18129 -0.03824 0.05069 -0.07692 -0.11889 165 2PZ 0.05547 -0.04572 0.00541 -0.05453 0.01775 166 3S 0.91944 0.08384 -1.41673 0.46722 -0.93495 167 3PX -1.39865 -0.25740 -0.24996 0.30885 0.53518 168 3PY -1.40879 -0.06751 -0.39750 0.57300 0.67294 169 3PZ -0.31320 0.17100 -0.22103 0.39590 0.18100 170 4XX 0.04410 0.02611 0.01867 0.00937 0.00595 171 4YY -0.02453 0.02209 0.03448 0.08275 -0.06954 172 4ZZ -0.03457 -0.00988 0.01465 -0.03921 0.02011 173 4XY 0.02989 -0.00530 -0.04398 -0.00552 -0.02375 174 4XZ 0.01122 0.02676 0.06181 0.01835 -0.01149 175 4YZ 0.05812 -0.01674 0.01950 -0.04394 0.02848 176 17 C 1S 0.01258 0.01447 0.01084 -0.00297 0.01119 177 2S 0.35643 0.40148 0.23780 -0.00169 0.31610 178 2PX 0.10353 -0.14836 -0.09786 -0.08610 -0.03148 179 2PY -0.07455 -0.11755 -0.04712 -0.01577 0.05511 180 2PZ 0.24376 -0.05710 -0.06674 -0.04479 -0.09120 181 3S -1.45123 -1.80729 -0.99319 -0.07586 -0.76310 182 3PX -1.14870 0.51876 0.32355 0.49404 1.03830 183 3PY -0.11228 0.16213 0.00816 0.10058 0.10870 184 3PZ -1.53524 0.29529 0.45665 0.29523 1.18796 185 4XX -0.01519 0.00948 0.04039 -0.00939 0.01578 186 4YY 0.03368 0.05838 0.02914 0.01898 0.03401 187 4ZZ 0.03429 -0.00897 -0.03309 -0.01920 0.00415 188 4XY -0.02490 0.02487 0.02005 -0.00734 0.03704 189 4XZ -0.00574 -0.01217 0.00491 -0.00331 -0.00035 190 4YZ -0.04024 0.01602 0.01638 0.01808 0.00634 191 18 C 1S 0.00639 -0.00812 -0.02415 -0.00024 -0.02014 192 2S 0.20920 -0.39031 -0.71696 -0.10396 -0.37378 193 2PX -0.03230 -0.09852 0.00350 -0.08623 0.11158 194 2PY -0.14472 0.01752 -0.02029 0.01097 0.14236 195 2PZ 0.04785 -0.14801 0.03776 -0.11336 0.02094 196 3S -1.01379 1.23956 2.88323 -0.24700 2.21675 197 3PX -0.05183 0.26801 0.09470 0.17883 -0.28533 198 3PY 0.75980 -0.34692 0.31117 -0.39723 -0.92885 199 3PZ -0.52816 0.73290 -0.17210 0.62018 0.39773 200 4XX 0.01696 -0.03111 -0.07053 -0.00818 -0.03961 201 4YY 0.01598 -0.02570 -0.01992 -0.01899 -0.00898 202 4ZZ 0.00067 0.00368 -0.01416 0.01244 -0.00931 203 4XY 0.01626 -0.03844 -0.02578 -0.01403 -0.03304 204 4XZ 0.00753 -0.00839 -0.04909 0.00946 -0.02252 205 4YZ 0.01405 -0.01142 -0.03257 0.01846 -0.04871 206 19 C 1S -0.00626 -0.00875 0.01094 0.00298 0.00499 207 2S -0.21887 -0.30474 0.25340 -0.03069 0.32820 208 2PX -0.09362 -0.12298 -0.14910 -0.01326 0.09964 209 2PY -0.05137 -0.04282 -0.12462 0.08445 -0.02896 210 2PZ -0.02979 -0.05050 -0.05056 -0.04594 0.12904 211 3S 0.92974 0.93954 -1.07563 -0.21307 -0.42873 212 3PX 0.64748 0.28852 0.72582 -0.41070 -0.19832 213 3PY 0.52521 0.24591 1.00308 -0.95461 0.12856 214 3PZ 0.22915 -0.05632 0.04201 0.10276 -0.34011 215 4XX 0.00181 0.00166 0.01517 -0.01618 0.00924 216 4YY -0.02086 -0.02529 -0.01871 -0.01641 0.02405 217 4ZZ -0.00786 -0.02722 0.03999 0.03126 0.01038 218 4XY 0.01198 0.02238 0.00512 0.00116 0.00408 219 4XZ 0.00696 -0.01814 0.02540 0.00482 0.01489 220 4YZ 0.02243 0.05074 0.03527 0.00181 -0.00806 221 20 C 1S 0.00617 0.01009 0.01146 0.00360 0.01455 222 2S 0.11056 0.60620 0.39523 0.08569 0.28788 223 2PX -0.06453 0.05780 0.01836 0.04298 0.13407 224 2PY -0.01845 0.14554 0.04814 -0.06698 -0.01005 225 2PZ -0.15046 -0.17172 -0.09477 0.06574 0.19902 226 3S -0.54429 -1.65602 -1.39312 -0.89787 -1.08952 227 3PX 0.76715 -0.06054 0.03255 -0.87251 -0.49665 228 3PY 0.52143 -0.31801 -0.29218 0.36738 0.07983 229 3PZ 0.75494 0.45979 0.30640 -1.26683 -0.63913 230 4XX -0.00271 0.02852 0.04901 0.04025 0.01981 231 4YY -0.01346 0.01946 0.00448 -0.02087 0.06706 232 4ZZ 0.03248 0.04885 0.01528 -0.01645 -0.04088 233 4XY -0.02106 -0.00470 0.03297 0.04058 0.04091 234 4XZ 0.00280 0.00520 -0.01921 -0.02464 0.00121 235 4YZ -0.03243 -0.03853 -0.02487 0.00141 0.02517 236 21 H 1S -0.01409 -0.05074 0.05740 -0.01932 0.15003 237 2S -0.16456 0.64933 0.43584 -0.17335 -0.03427 238 22 H 1S -0.05664 -0.07700 0.04562 0.06943 -0.06431 239 2S 0.00388 -0.04588 0.14356 0.11988 -0.11366 240 23 H 1S 0.01590 -0.02072 -0.14656 0.06050 -0.27983 241 2S 0.16125 0.08167 -0.26709 0.12879 -0.42506 242 24 H 1S 0.00043 0.10036 0.03759 0.03382 0.12495 243 2S 0.24492 0.37340 0.14538 0.09078 0.08347 244 25 H 1S -0.14718 -0.05312 0.06520 -0.01182 0.12406 245 2S 0.21421 -0.14874 0.28072 -0.30210 0.03796 246 26 O 1S 0.00538 0.00607 0.00804 0.01167 -0.01215 247 2S -0.40440 0.04194 0.10356 0.18489 -0.28292 248 2PX -0.12782 -0.04637 0.02510 0.14990 -0.05711 249 2PY 0.02186 -0.09429 -0.14099 -0.03124 -0.03213 250 2PZ -0.41637 -0.02570 -0.06455 0.08467 -0.34743 251 3S 0.29075 -0.24346 -0.38504 -0.67794 0.91320 252 3PX 0.38116 0.12305 -0.02593 -0.17389 0.05093 253 3PY -0.04540 0.19600 0.21551 -0.03326 0.00080 254 3PZ 0.81701 0.16281 0.23339 0.04535 0.26519 255 4XX -0.10450 0.01346 0.04552 0.02601 -0.07943 256 4YY -0.16434 0.01832 0.02800 0.13561 -0.14182 257 4ZZ -0.12644 0.01736 0.04200 0.03213 -0.05351 258 4XY -0.02750 -0.01108 -0.00032 -0.04575 0.00886 259 4XZ -0.02845 0.00350 0.01929 -0.00200 -0.00758 260 4YZ 0.05840 0.00853 0.02559 0.00063 -0.03279 261 27 H 1S 0.26836 -0.04828 -0.05963 -0.12819 0.22336 262 2S -0.68340 -0.00351 0.00196 0.07580 -0.39893 263 28 H 1S 0.15671 0.02012 0.12084 0.12823 -0.11963 264 2S 0.17589 0.35501 0.24653 -0.35347 -0.15578 146 147 148 149 150 V V V V V Eigenvalues -- 1.31845 1.32870 1.36074 1.37337 1.38542 1 1 C 1S 0.00345 0.01145 -0.00542 -0.03785 0.00950 2 2S -0.10054 -0.01656 -0.06856 -0.51580 0.03873 3 2PX 0.01091 0.00747 -0.02912 0.10410 -0.01516 4 2PY 0.23998 0.03380 -0.17515 0.01835 0.03050 5 2PZ 0.06407 -0.08765 -0.07447 -0.07096 -0.08796 6 3S -0.55499 0.42059 0.98417 2.69301 0.55879 7 3PX -0.66617 0.33686 0.22845 0.68279 0.42350 8 3PY -0.88416 0.14815 0.88767 0.57660 -0.74620 9 3PZ -0.06805 0.10661 0.04534 -0.96371 0.64208 10 4XX -0.00952 -0.00028 0.09563 0.01966 -0.04068 11 4YY 0.03506 -0.00552 -0.06012 -0.00195 0.01355 12 4ZZ -0.04506 0.05165 -0.04168 -0.07938 0.08196 13 4XY 0.00815 -0.02143 0.00264 -0.00026 -0.01183 14 4XZ 0.00506 0.00681 0.00549 -0.09012 0.01058 15 4YZ -0.01905 0.00642 -0.00488 -0.01060 0.07613 16 2 C 1S 0.00674 -0.00670 0.00281 0.00847 -0.00607 17 2S -0.03107 0.09974 -0.06671 0.22449 0.02775 18 2PX 0.21760 -0.08862 -0.13280 -0.23778 -0.09301 19 2PY 0.03985 -0.01778 0.03515 0.12313 -0.08493 20 2PZ -0.08496 0.02226 0.08872 0.18697 0.00108 21 3S -0.24561 0.10298 -0.37511 -1.02253 1.43732 22 3PX -1.31067 0.42996 0.85046 2.53868 0.72809 23 3PY 0.63579 -0.09519 -0.23076 -0.38180 0.17337 24 3PZ 0.69788 -0.46635 -0.69261 -1.70047 -0.44790 25 4XX -0.00376 -0.01080 -0.04830 -0.00364 0.05344 26 4YY -0.03323 -0.02249 -0.03169 -0.04801 0.00597 27 4ZZ 0.02410 0.02810 0.07117 0.06248 -0.02944 28 4XY 0.00592 0.01768 0.00407 0.01340 -0.00391 29 4XZ -0.00250 -0.01861 -0.05927 -0.05702 0.03597 30 4YZ -0.04221 0.00575 0.01029 0.00449 0.01710 31 3 C 1S -0.02599 -0.01327 0.01580 0.00672 0.00235 32 2S -0.51920 -0.35723 0.46651 0.08735 -0.04384 33 2PX 0.19563 -0.06998 0.23532 0.05035 -0.22489 34 2PY 0.21134 0.10588 -0.01132 0.08563 0.30180 35 2PZ -0.04848 -0.04278 -0.15677 -0.04187 0.03178 36 3S 2.85516 0.69838 -1.40909 -1.05740 -0.70868 37 3PX -1.22385 0.29070 -0.73623 -0.36568 1.21716 38 3PY -0.85361 -0.77318 -0.12230 -1.75490 -1.38585 39 3PZ 0.43879 0.26224 0.61879 0.76750 -0.19240 40 4XX -0.11207 -0.01999 -0.00296 0.02731 -0.02504 41 4YY 0.07094 -0.02401 0.05790 -0.01037 0.00326 42 4ZZ -0.00974 -0.00512 -0.00884 -0.01611 0.02553 43 4XY -0.02435 0.02722 -0.01248 0.02749 -0.00652 44 4XZ 0.00804 0.04638 0.02297 0.03618 0.02499 45 4YZ 0.01794 -0.01201 -0.07766 -0.06962 0.01855 46 4 C 1S -0.00712 0.00587 -0.02026 -0.00483 -0.00187 47 2S -0.37381 0.05077 -0.55317 0.00115 -0.23384 48 2PX 0.17722 0.03344 0.03458 -0.07532 0.01349 49 2PY 0.01736 0.11697 0.13285 0.06654 0.30777 50 2PZ -0.10574 0.00455 -0.06199 0.03902 -0.04167 51 3S 0.02854 -0.65404 2.30142 1.29392 -0.57261 52 3PX -1.07993 -0.36748 0.34342 -0.06619 -0.44531 53 3PY 0.01057 -0.23251 -0.78929 -0.39906 -0.66716 54 3PZ 0.58102 0.05633 -0.01979 0.02299 0.28001 55 4XX -0.04473 -0.02140 0.00867 0.03229 -0.03238 56 4YY -0.01477 0.00701 -0.07778 -0.03121 -0.00286 57 4ZZ -0.00935 0.02354 0.01423 0.02249 0.01001 58 4XY 0.03544 -0.02530 0.02654 -0.02402 -0.00497 59 4XZ 0.04044 0.00546 -0.01186 -0.03135 0.03362 60 4YZ 0.02423 -0.00585 -0.01797 -0.02846 0.00187 61 5 C 1S 0.00801 0.00679 0.01386 0.00641 0.00167 62 2S 0.13701 0.16655 0.07175 0.05772 -0.02571 63 2PX 0.12041 0.00770 0.26081 0.06026 0.03056 64 2PY -0.08665 -0.04875 0.12505 0.01915 0.05154 65 2PZ -0.03014 -0.00976 -0.13229 -0.03408 -0.03819 66 3S -1.06017 -0.56457 -2.17308 -0.61299 -0.03074 67 3PX -1.08408 -0.20121 -0.44039 0.25802 -0.42264 68 3PY 1.46703 0.80263 -0.60046 -0.19529 0.63348 69 3PZ 0.10859 -0.00809 0.34223 -0.04035 0.07272 70 4XX 0.04926 0.01572 0.01199 -0.01802 -0.02879 71 4YY -0.03144 -0.00032 -0.04157 -0.00032 0.01977 72 4ZZ 0.00922 0.00774 0.04062 0.01575 0.00532 73 4XY 0.01401 -0.00650 0.05900 0.00935 0.03988 74 4XZ -0.01273 -0.00630 -0.01225 -0.00708 0.00167 75 4YZ 0.02078 -0.00654 -0.00341 -0.01763 -0.01556 76 6 C 1S -0.01544 -0.01055 0.00468 0.00561 0.00436 77 2S -0.33510 -0.21765 -0.09528 0.09631 0.26657 78 2PX -0.09264 -0.05896 0.15893 0.02401 -0.13992 79 2PY -0.05362 0.04336 -0.13303 -0.01262 0.15961 80 2PZ 0.04293 0.02842 -0.02685 0.00059 0.02713 81 3S 1.14578 1.37293 -0.55169 -0.52389 0.08553 82 3PX 1.09553 0.35255 -0.06716 -0.01607 0.96508 83 3PY 1.25282 0.15685 1.17142 0.21445 -0.12250 84 3PZ -0.69796 -0.23769 -0.28237 -0.05909 -0.38578 85 4XX -0.02773 -0.01676 -0.00529 -0.00331 0.01991 86 4YY -0.02109 -0.00551 -0.01800 0.02443 0.01307 87 4ZZ -0.00426 -0.00723 0.01818 -0.00456 -0.00373 88 4XY 0.02090 0.03588 -0.03535 -0.01784 0.02862 89 4XZ 0.01646 -0.00956 0.00011 -0.00950 -0.02808 90 4YZ -0.01921 -0.00871 0.01594 0.01653 -0.02321 91 7 C 1S 0.00010 0.00955 -0.01655 -0.00178 -0.00229 92 2S 0.20219 0.31017 -0.36627 -0.15711 0.10939 93 2PX -0.06638 -0.01653 0.10699 -0.01160 0.00859 94 2PY 0.19088 0.09515 0.06113 -0.03552 0.24930 95 2PZ -0.03616 -0.01981 -0.07248 0.03240 -0.04683 96 3S -0.06436 -0.66059 1.93206 0.51057 1.55949 97 3PX 1.23149 0.02504 0.26988 0.25981 -0.27957 98 3PY -0.54025 -0.30070 -0.47966 0.05581 -0.41700 99 3PZ -0.37385 0.10060 0.09132 -0.16111 0.19233 100 4XX 0.00260 0.01826 0.03676 0.00324 0.05553 101 4YY 0.02571 0.02875 -0.05928 0.00465 -0.01150 102 4ZZ -0.00374 -0.00421 -0.03089 -0.02338 -0.02442 103 4XY -0.01087 -0.00059 -0.06773 -0.00797 -0.01846 104 4XZ -0.00853 -0.00991 0.01881 -0.00232 -0.03471 105 4YZ -0.02212 -0.00243 0.03379 0.02266 -0.00446 106 8 C 1S 0.01780 0.00523 0.01658 0.01015 0.00819 107 2S 0.44165 0.10705 0.80621 0.09965 0.03764 108 2PX 0.14121 -0.06011 0.18987 0.03501 0.13391 109 2PY 0.44166 0.08177 -0.07705 -0.09206 0.04353 110 2PZ -0.09219 0.02993 -0.00084 -0.06365 -0.08555 111 3S -0.88293 -0.61921 -1.45343 -1.30508 -0.79636 112 3PX -0.05281 0.07325 -0.60050 -0.12336 -1.22042 113 3PY -2.31227 -0.54109 0.13206 -0.56582 0.28762 114 3PZ 0.48741 -0.02316 0.00541 0.19810 0.48026 115 4XX 0.08108 0.03663 0.01694 0.03063 0.01999 116 4YY -0.02766 -0.01397 0.10762 0.00747 -0.02786 117 4ZZ 0.00704 -0.00785 -0.02132 -0.03750 0.00117 118 4XY -0.01982 -0.02727 0.00949 0.01124 -0.03508 119 4XZ -0.07842 0.00565 -0.01114 0.02743 -0.02124 120 4YZ -0.00544 0.02510 0.01969 0.02364 0.02567 121 9 H 1S 0.14046 -0.02550 -0.29123 -0.00262 -0.01542 122 2S -0.77750 0.05578 0.33992 0.02144 -0.61680 123 10 H 1S -0.07388 -0.01887 -0.25195 -0.04280 -0.26041 124 2S -0.16795 -0.05231 -0.38435 -0.02723 -0.34956 125 11 H 1S -0.10160 -0.17636 0.21896 0.07557 -0.20669 126 2S -0.21081 -0.22683 0.36992 0.09423 -0.32975 127 12 H 1S 0.26462 0.02583 0.32908 -0.03587 0.03097 128 2S 0.29342 0.04333 0.55231 0.03017 0.08564 129 13 H 1S 0.18573 0.07355 -0.07383 -0.07672 0.20993 130 2S 0.03005 0.24323 0.09495 0.12837 0.38769 131 14 O 1S -0.00244 0.00579 -0.00490 0.00115 0.01066 132 2S -0.01160 0.14265 -0.08504 -0.03874 0.18109 133 2PX 0.21334 -0.05549 0.08034 -0.05442 -0.07637 134 2PY -0.04409 -0.14061 -0.02766 -0.15141 0.00695 135 2PZ 0.12668 -0.30549 -0.07084 -0.52286 -0.13448 136 3S 0.00160 -0.34833 0.16935 0.01354 -0.75573 137 3PX -0.03132 -0.01022 -0.22383 -0.35289 -0.00166 138 3PY 0.00469 0.23810 0.04778 0.30310 0.11867 139 3PZ -0.27748 0.42252 0.23088 0.89566 0.12564 140 4XX -0.01661 0.02978 -0.04370 0.00075 0.04703 141 4YY 0.00319 0.07420 -0.01860 0.03861 0.05790 142 4ZZ -0.02250 0.03274 -0.01649 -0.04829 0.06550 143 4XY -0.01241 -0.00419 -0.00719 -0.00533 0.05165 144 4XZ -0.01298 0.01426 -0.01620 0.00881 0.06720 145 4YZ -0.00463 0.00750 0.02604 0.00169 0.00969 146 15 C 1S 0.01789 -0.00170 -0.00577 0.00648 0.00918 147 2S 0.33787 0.03689 -0.11941 0.31023 0.11562 148 2PX -0.05578 0.00927 0.09060 -0.11087 0.14127 149 2PY 0.08630 0.28778 -0.04645 -0.13035 -0.09648 150 2PZ -0.05199 -0.25830 0.06446 -0.13075 0.15591 151 3S -0.94104 -0.21469 1.12423 -1.61143 -1.64448 152 3PX -0.04635 0.17339 -0.29304 0.45619 -0.05972 153 3PY -0.21417 -1.54072 -0.07356 0.06184 0.92960 154 3PZ 0.05236 1.55550 -0.41336 0.77962 -0.48513 155 4XX -0.00096 0.01130 -0.06349 -0.02478 0.08343 156 4YY -0.01318 0.06676 0.06169 0.05844 -0.05714 157 4ZZ 0.06041 -0.07448 -0.00197 -0.02984 -0.02764 158 4XY 0.01844 0.06350 -0.01106 -0.06882 -0.00112 159 4XZ 0.00233 -0.06441 0.02865 0.04600 0.00655 160 4YZ -0.03376 0.00403 0.04987 0.01430 0.00114 161 16 C 1S -0.00613 0.01692 0.00602 -0.00038 -0.02303 162 2S 0.06150 0.56167 0.03936 0.06440 -0.59177 163 2PX -0.10680 0.02444 0.06305 -0.03825 0.09469 164 2PY -0.01071 0.29663 0.05763 -0.18041 0.00208 165 2PZ 0.05543 -0.20733 -0.03988 0.05005 0.16574 166 3S -0.30140 -1.02808 -0.13579 -0.41745 2.22197 167 3PX 0.12156 -0.48759 0.01355 0.01180 -0.22818 168 3PY 0.06724 -1.69440 -0.29994 0.64960 0.63650 169 3PZ -0.26935 0.68247 0.49404 -0.40831 -1.01006 170 4XX -0.03698 0.03241 0.01800 0.03112 -0.02366 171 4YY 0.03910 0.01158 -0.04385 -0.01242 0.01345 172 4ZZ 0.00102 0.03255 0.02778 -0.00203 -0.04358 173 4XY -0.01281 0.02066 0.03008 0.01850 -0.02637 174 4XZ -0.01554 0.06757 -0.00410 -0.05207 -0.01785 175 4YZ 0.01803 0.00497 -0.03526 -0.05815 0.01133 176 17 C 1S -0.01318 -0.00739 0.00135 -0.00807 0.00683 177 2S -0.53868 -0.00098 0.17787 -0.36917 0.06056 178 2PX -0.03442 0.14369 0.04064 -0.09441 0.02010 179 2PY -0.14855 0.22318 0.08041 -0.16370 -0.08994 180 2PZ 0.04612 -0.00005 -0.01361 0.01497 0.10074 181 3S 1.33362 1.31790 -0.19845 0.44586 -0.89965 182 3PX -0.19587 -1.31090 0.06982 0.36665 -0.11629 183 3PY 0.33467 -0.62261 -0.01838 0.35319 -0.02538 184 3PZ -0.33467 -1.10479 -0.00113 0.14312 -0.04421 185 4XX 0.01358 0.00687 -0.02625 -0.04438 -0.01360 186 4YY -0.05423 -0.02152 0.02295 -0.01928 0.00397 187 4ZZ -0.03381 0.01172 0.02705 0.01752 0.01184 188 4XY -0.02083 0.00659 0.01695 -0.00384 -0.05593 189 4XZ -0.00349 0.04457 -0.00340 -0.02379 -0.01895 190 4YZ -0.00539 0.00429 0.00313 0.04598 -0.05091 191 18 C 1S 0.01979 0.00028 -0.00545 0.00524 0.00941 192 2S 0.46869 0.02277 -0.12042 0.03970 0.37149 193 2PX -0.05024 0.01710 0.00997 -0.07543 0.11679 194 2PY -0.06397 -0.05901 0.02201 -0.05483 0.06338 195 2PZ -0.01464 0.07700 -0.01257 -0.03987 0.10269 196 3S -2.46782 0.07296 0.41430 -0.53374 -0.30394 197 3PX 0.12199 -0.14709 -0.13218 0.35593 -0.21396 198 3PY -0.06494 1.73078 -0.05436 -0.13256 -0.42155 199 3PZ 0.18579 -1.58075 -0.07097 0.47669 0.00434 200 4XX 0.04922 -0.00501 -0.00634 0.01513 -0.00239 201 4YY 0.00371 0.00655 0.00156 0.03886 0.02086 202 4ZZ 0.01421 0.00188 -0.01574 -0.04243 0.03090 203 4XY 0.06237 -0.00077 -0.02559 -0.01338 0.00743 204 4XZ 0.00855 -0.00251 0.00739 0.01196 0.01180 205 4YZ 0.03704 -0.00242 -0.00763 0.03059 -0.01496 206 19 C 1S 0.00101 0.00662 0.00141 0.00203 -0.02158 207 2S 0.01776 -0.04433 0.07133 0.00039 -0.46164 208 2PX 0.06340 -0.16761 0.01480 0.00268 -0.00761 209 2PY 0.12481 -0.01018 0.00581 -0.03165 -0.14447 210 2PZ -0.00180 -0.21138 0.00882 -0.01068 0.11110 211 3S -0.17707 -1.05553 -0.19928 0.14577 2.86595 212 3PX -0.80069 1.36442 0.11330 -0.51689 0.34142 213 3PY -1.24466 1.35610 0.01332 -0.29539 1.06999 214 3PZ -0.09620 0.67651 0.12660 -0.20232 -0.37952 215 4XX -0.04017 -0.00064 0.01727 0.05738 0.00813 216 4YY 0.03337 -0.01666 -0.01170 -0.03090 -0.00172 217 4ZZ 0.00937 0.01373 0.00545 -0.02847 -0.06628 218 4XY -0.01975 -0.03116 -0.00434 0.02578 0.06760 219 4XZ -0.00195 -0.01833 0.00574 -0.01055 -0.01628 220 4YZ -0.02184 -0.00272 -0.01588 -0.01415 0.05786 221 20 C 1S -0.00971 -0.01910 0.00137 -0.00894 0.01568 222 2S -0.27708 -0.62860 0.03537 -0.09550 0.50137 223 2PX 0.07138 -0.11502 0.04230 -0.16488 -0.15645 224 2PY -0.14547 0.25826 0.03778 -0.11415 -0.08699 225 2PZ 0.11371 -0.31339 0.04109 0.01926 -0.14200 226 3S 1.89056 1.12016 -0.61434 1.48333 -2.21326 227 3PX -0.45411 0.92833 -0.15897 0.40088 1.04619 228 3PY 0.49989 -1.05679 0.10423 0.05713 0.05027 229 3PZ -0.74744 1.87928 -0.27601 0.07326 1.15881 230 4XX 0.01220 -0.02754 -0.02124 -0.06033 0.01303 231 4YY -0.03542 -0.05783 0.03291 -0.03061 0.01709 232 4ZZ -0.01152 0.00058 -0.01621 0.08623 0.02359 233 4XY -0.02343 -0.05910 0.00560 -0.00396 0.03205 234 4XZ 0.04482 -0.04052 -0.00768 0.02958 -0.02675 235 4YZ -0.02635 -0.00382 0.03044 0.03457 -0.01155 236 21 H 1S -0.09915 0.13099 0.04074 -0.21931 0.07652 237 2S -0.63643 0.55404 -0.02288 -0.09208 0.37954 238 22 H 1S -0.02000 0.23752 0.06389 -0.07406 -0.39904 239 2S 0.05190 0.37874 0.05507 -0.07180 -0.52938 240 23 H 1S 0.23329 -0.01190 -0.09090 0.16405 -0.00078 241 2S 0.29579 -0.02150 -0.10893 0.24782 -0.08544 242 24 H 1S -0.07337 -0.26383 0.02830 0.05103 0.03049 243 2S -0.02237 -0.41754 0.00883 0.12699 0.13492 244 25 H 1S -0.00662 -0.12185 0.03777 0.00764 0.13374 245 2S 0.30298 -0.45809 -0.45028 0.51725 0.23340 246 26 O 1S -0.01257 0.00189 0.00755 -0.01246 0.01797 247 2S -0.18808 -0.04200 0.15282 -0.16907 0.27378 248 2PX -0.16365 0.14332 -0.08253 0.01276 0.10624 249 2PY -0.03908 0.21207 0.26149 -0.40062 0.12143 250 2PZ 0.03265 -0.07728 0.25260 -0.06313 -0.00124 251 3S 0.40960 -0.03412 -0.39081 0.40624 -1.04603 252 3PX 0.25113 -0.16282 0.05907 -0.09744 -0.08848 253 3PY 0.18664 -0.30753 -0.43899 0.58257 -0.28912 254 3PZ -0.02149 0.21575 -0.41579 0.09605 0.22998 255 4XX -0.02593 -0.00565 0.03028 -0.04701 0.05392 256 4YY -0.10565 -0.00816 0.08488 -0.05236 0.13245 257 4ZZ -0.07445 -0.02624 0.03639 -0.05142 0.06159 258 4XY 0.03819 0.00699 -0.02668 0.00772 -0.03816 259 4XZ 0.01710 0.01409 -0.03897 0.01964 -0.02515 260 4YZ 0.01444 0.01364 -0.02685 0.10520 -0.00058 261 27 H 1S -0.05277 -0.02841 -0.05557 -0.04072 -0.04096 262 2S -0.01994 -0.11667 0.35075 -0.09013 0.02507 263 28 H 1S 0.01735 0.11270 -0.12158 -0.06438 0.20130 264 2S 0.30751 -0.12737 -0.42322 -0.38058 0.05870 151 152 153 154 155 V V V V V Eigenvalues -- 1.39892 1.40723 1.43024 1.44814 1.46073 1 1 C 1S 0.01661 -0.00385 0.00151 -0.00756 -0.01208 2 2S 0.04483 -0.17911 0.03437 -0.00831 -0.19982 3 2PX -0.00233 -0.08216 0.10942 0.15187 0.10132 4 2PY -0.06831 0.14657 -0.06855 0.02698 -0.10544 5 2PZ 0.10936 -0.09258 0.02958 0.03581 0.10834 6 3S -1.35378 1.30746 0.49279 0.15951 0.34180 7 3PX 0.15350 -0.43728 -0.85544 -0.52280 0.44686 8 3PY 0.77551 -1.35809 -0.26479 -0.35300 0.71432 9 3PZ 0.35183 0.12733 -0.24519 -0.17409 -0.50361 10 4XX -0.00925 -0.06426 0.04027 0.02993 -0.09148 11 4YY -0.05475 0.04779 0.00485 0.02844 -0.04073 12 4ZZ 0.05224 0.04001 -0.03398 -0.06802 0.08187 13 4XY -0.00886 0.03655 0.01355 0.00206 -0.02558 14 4XZ 0.04544 -0.04546 0.02869 0.03784 -0.03330 15 4YZ 0.01869 0.09957 -0.01290 -0.04431 0.03388 16 2 C 1S -0.00650 -0.00198 -0.00767 -0.00899 0.00605 17 2S -0.28123 0.19730 -0.25788 0.06446 -0.03876 18 2PX 0.11678 -0.01969 0.00395 0.20376 -0.11354 19 2PY 0.19460 -0.04575 0.07953 -0.04546 -0.13029 20 2PZ 0.06389 -0.04355 0.04769 -0.08432 0.02002 21 3S 0.39217 -1.65744 0.03950 0.31650 0.00095 22 3PX -0.57158 -1.14017 -0.26627 -0.20300 1.11511 23 3PY -1.13042 0.74193 0.24305 0.86374 -0.32456 24 3PZ 0.19924 0.42003 0.07015 0.00481 -0.13127 25 4XX -0.01088 0.04843 -0.02630 -0.04580 0.06700 26 4YY -0.02726 -0.07344 -0.03385 0.06031 0.07903 27 4ZZ 0.00143 -0.00077 0.02390 -0.00650 -0.12288 28 4XY 0.04256 0.04482 -0.00417 -0.06435 0.07844 29 4XZ 0.03948 0.00816 -0.00381 -0.02903 0.02135 30 4YZ -0.02304 -0.05478 0.03096 0.11208 0.01879 31 3 C 1S 0.00305 -0.01161 0.00680 0.00247 0.00738 32 2S 0.16590 0.04961 -0.18597 0.10716 0.16556 33 2PX 0.11847 0.11988 0.00746 0.17315 -0.02361 34 2PY -0.16927 -0.28907 0.10270 0.24373 -0.08979 35 2PZ -0.05395 0.05056 -0.02779 -0.14814 -0.00825 36 3S 0.09528 1.13427 -1.11868 0.56205 -0.96645 37 3PX 0.23934 -0.84153 -1.19970 -1.46147 1.18215 38 3PY 0.43684 2.12286 0.37898 -2.40456 0.61241 39 3PZ -0.04782 -0.25243 0.45292 1.18142 -0.67396 40 4XX 0.02032 -0.02898 -0.00455 0.05383 0.06359 41 4YY 0.03550 0.01840 -0.02830 -0.01418 0.02168 42 4ZZ -0.03106 0.03595 -0.01267 -0.01612 -0.07072 43 4XY 0.03745 0.00663 -0.01935 -0.03823 0.07736 44 4XZ 0.00696 -0.07827 0.02252 0.03780 0.03192 45 4YZ 0.01284 0.03093 0.01531 -0.09206 0.08690 46 4 C 1S 0.00360 0.00683 -0.00119 -0.02787 0.00867 47 2S 0.14757 0.16917 0.15672 -0.61768 0.04262 48 2PX 0.13624 0.07274 0.01294 -0.17900 -0.00658 49 2PY -0.22922 -0.13391 -0.05604 0.05078 0.19705 50 2PZ 0.00712 0.02737 0.00213 0.02973 -0.02170 51 3S -0.54607 -0.47852 0.37304 3.72023 -1.13094 52 3PX -0.13396 0.50884 -0.83854 -0.19612 0.75956 53 3PY 0.96770 0.10325 -0.85726 0.58114 -0.43189 54 3PZ -0.23549 -0.22563 0.54694 -0.00676 -0.26412 55 4XX 0.00170 0.01285 -0.00215 0.04752 -0.07931 56 4YY -0.03147 0.02883 0.03345 -0.10528 0.02327 57 4ZZ 0.03089 -0.03439 0.00995 -0.00628 0.06212 58 4XY -0.00300 0.02899 0.02193 -0.02206 0.00381 59 4XZ -0.03381 0.01444 -0.01569 -0.01490 -0.06932 60 4YZ 0.00090 0.02851 -0.02094 -0.01609 0.00736 61 5 C 1S -0.00672 -0.00052 -0.01077 0.01997 -0.00044 62 2S -0.17764 -0.01442 -0.38099 0.71204 -0.10472 63 2PX 0.02132 0.03639 0.05878 -0.17680 0.10352 64 2PY -0.04509 -0.05637 0.01316 0.03422 0.05332 65 2PZ -0.00172 -0.01737 -0.02331 0.07922 -0.05504 66 3S 0.94064 -0.39766 0.99507 -1.76540 -0.41362 67 3PX -0.16062 -0.07382 0.47963 0.21156 -0.51822 68 3PY -0.24608 -0.17337 0.45437 -0.49394 -0.27194 69 3PZ 0.14676 0.09868 -0.30588 -0.01186 0.27089 70 4XX 0.01544 0.04200 -0.06587 0.02701 0.02935 71 4YY -0.03137 -0.02744 0.01335 0.04007 -0.05763 72 4ZZ 0.00110 -0.01264 -0.00651 0.01669 0.02215 73 4XY -0.05102 -0.01688 -0.00949 0.04835 -0.00102 74 4XZ 0.00941 0.00215 0.04251 -0.05434 0.02453 75 4YZ -0.00175 0.03847 -0.00138 -0.01939 -0.09123 76 6 C 1S 0.00023 -0.01120 0.01485 -0.00683 -0.00088 77 2S -0.11926 -0.41415 0.58210 -0.25958 -0.08944 78 2PX 0.11778 0.13172 -0.15868 0.01357 0.04753 79 2PY -0.12865 -0.11912 0.11467 -0.06645 -0.01040 80 2PZ -0.01930 -0.03202 0.04383 0.00696 -0.02297 81 3S -0.78521 0.70619 -0.74770 0.61644 0.06680 82 3PX -0.43585 -0.58794 -0.09639 0.27677 0.17497 83 3PY 0.21331 0.31158 0.11549 -0.23207 0.08365 84 3PZ 0.12460 0.17218 0.02011 -0.07058 -0.04288 85 4XX -0.00477 -0.00869 0.03428 -0.06619 0.05550 86 4YY -0.00964 -0.04928 0.04876 0.02144 -0.00351 87 4ZZ 0.00011 0.01048 -0.00392 0.00702 -0.06287 88 4XY -0.01562 -0.00857 -0.01497 -0.00089 0.05039 89 4XZ 0.02529 0.02276 -0.01229 -0.00046 0.02685 90 4YZ 0.04191 -0.00333 -0.00574 -0.01613 0.07223 91 7 C 1S 0.00076 0.01326 -0.01795 -0.00172 0.00803 92 2S -0.07185 0.26865 -0.58335 -0.01667 0.30823 93 2PX -0.03263 0.00209 0.03890 0.02849 0.02203 94 2PY -0.15157 -0.08279 -0.09677 -0.00793 0.14930 95 2PZ 0.04841 -0.00302 0.00538 -0.00140 -0.01513 96 3S -0.53893 -2.01356 1.60773 -0.11728 0.06813 97 3PX 0.62530 0.44998 -0.59764 -0.12495 -0.03093 98 3PY 0.53713 -0.02006 -0.61101 0.50604 -0.35326 99 3PZ -0.39301 -0.12890 0.37355 -0.05653 -0.04311 100 4XX -0.05413 -0.01888 0.01111 0.00952 -0.03894 101 4YY 0.03026 0.02397 -0.10612 0.03482 0.02904 102 4ZZ 0.02083 0.02050 0.00894 -0.03870 0.04806 103 4XY 0.01732 -0.00133 -0.00695 -0.00778 -0.02671 104 4XZ 0.00754 0.02658 -0.00320 0.02683 -0.10507 105 4YZ 0.01279 -0.03031 0.03042 0.00212 0.05097 106 8 C 1S -0.00444 -0.01534 0.00882 0.01601 -0.01279 107 2S -0.12900 -0.28708 0.44723 0.19343 -0.28095 108 2PX 0.08271 -0.02345 0.00180 -0.18479 0.11730 109 2PY 0.11256 -0.01496 -0.09733 -0.11392 -0.05860 110 2PZ -0.07619 0.06304 0.02029 0.08226 -0.12939 111 3S 1.01582 2.21586 -1.31046 -2.82005 1.55956 112 3PX -0.22067 0.74092 0.99174 0.52556 -0.87595 113 3PY -0.77695 -0.14742 1.20415 -0.94715 0.74295 114 3PZ 0.26648 -0.32483 -0.67537 -0.04926 0.42916 115 4XX 0.00112 -0.08195 0.04787 0.05407 -0.01093 116 4YY 0.00811 0.03571 0.00247 -0.03810 -0.01913 117 4ZZ -0.01754 0.02520 0.01759 -0.01816 -0.00674 118 4XY 0.01913 -0.02563 0.02876 0.02849 -0.09291 119 4XZ 0.01488 -0.00589 -0.01775 0.00332 0.09465 120 4YZ -0.04709 -0.00512 -0.01551 0.06812 -0.09697 121 9 H 1S 0.04039 -0.20225 0.34498 -0.02101 -0.33257 122 2S -0.65127 0.29988 1.01582 0.60476 -0.27072 123 10 H 1S 0.16689 0.25466 -0.41310 0.18995 -0.03342 124 2S 0.34595 0.23793 -0.40802 0.10515 -0.11322 125 11 H 1S 0.18421 0.06706 0.24356 -0.24047 -0.06603 126 2S 0.27597 0.17791 0.13118 -0.20745 -0.02730 127 12 H 1S 0.00504 0.11381 -0.35027 0.23944 0.19206 128 2S 0.00276 0.07732 -0.30281 0.17125 0.25937 129 13 H 1S -0.15394 -0.07162 0.28547 -0.40318 0.04064 130 2S -0.32113 -0.00161 0.39486 -0.68277 0.28930 131 14 O 1S -0.00874 -0.00118 0.00294 0.00756 -0.00578 132 2S -0.03669 -0.10409 -0.04174 0.00666 -0.06891 133 2PX -0.04165 0.15726 0.15060 -0.32188 0.16445 134 2PY -0.21434 0.01158 0.06929 0.19942 0.02269 135 2PZ -0.21002 -0.12686 -0.00722 0.05406 0.25248 136 3S 0.55283 0.25367 -0.06074 -0.41881 0.23801 137 3PX 0.13416 -0.11752 -0.15682 0.57009 -0.43393 138 3PY 0.22156 -0.08352 -0.11069 -0.28289 -0.10194 139 3PZ 0.39704 0.17868 0.00801 -0.26950 -0.30601 140 4XX 0.00304 0.00105 0.00429 -0.00952 -0.00483 141 4YY 0.00100 0.01415 -0.01648 -0.03457 -0.09026 142 4ZZ -0.04906 -0.08230 0.01205 0.08780 0.01756 143 4XY -0.02201 -0.03204 -0.00439 0.05342 -0.03819 144 4XZ -0.01515 0.01193 -0.00599 -0.00871 0.01341 145 4YZ -0.00669 0.00454 0.00894 -0.03074 -0.00721 146 15 C 1S 0.01612 0.00605 0.00956 0.00749 -0.01842 147 2S 0.01849 0.00269 -0.01722 -0.08150 -0.37881 148 2PX 0.03650 0.31303 0.19908 0.03248 -0.00056 149 2PY -0.15047 0.29762 0.14390 0.06752 -0.07083 150 2PZ 0.00923 0.18296 0.15548 0.06556 -0.05344 151 3S -0.21203 -1.68067 -1.12520 -1.19822 1.38670 152 3PX 0.73736 -1.30305 -0.67855 0.06959 0.31552 153 3PY 1.24053 -1.08494 0.07402 0.04638 0.64145 154 3PZ 0.31531 -0.73876 -1.15466 -0.22473 0.11773 155 4XX 0.04081 0.08882 -0.01210 -0.03797 0.02886 156 4YY -0.07729 -0.05823 -0.00375 0.02758 0.03519 157 4ZZ 0.04878 -0.03940 0.00628 -0.01558 -0.12447 158 4XY 0.07571 0.00006 -0.00272 -0.01537 -0.07954 159 4XZ -0.00910 -0.03569 0.00095 0.00846 0.04065 160 4YZ -0.01509 -0.01672 0.03802 0.03908 -0.01412 161 16 C 1S -0.01592 0.00991 0.01016 0.00931 0.00806 162 2S -0.21856 0.20311 0.31202 0.24807 0.30320 163 2PX -0.16504 0.20299 -0.02377 -0.01888 -0.07291 164 2PY 0.08346 -0.05595 -0.07631 -0.06659 -0.03031 165 2PZ -0.14021 0.20213 -0.04512 -0.03385 -0.12993 166 3S 1.64357 -1.62232 -0.97130 -0.61155 -0.61813 167 3PX 0.41598 -0.07639 0.83348 0.23559 0.17569 168 3PY 0.21399 0.84948 1.39289 0.92175 0.48091 169 3PZ -0.09834 -0.64258 0.20088 -0.18944 -0.09974 170 4XX -0.07712 0.02172 0.03658 0.03228 0.08097 171 4YY 0.07474 0.00111 -0.01555 -0.02916 -0.04267 172 4ZZ -0.02827 0.01632 0.01787 0.03510 -0.00606 173 4XY -0.02482 -0.05532 0.00440 0.01480 0.02535 174 4XZ 0.00764 0.05479 0.01367 0.00466 -0.00271 175 4YZ 0.04164 -0.00359 -0.00813 -0.03707 -0.07126 176 17 C 1S -0.00544 -0.00661 -0.01046 -0.00787 -0.00809 177 2S -0.20624 -0.15447 -0.14619 -0.21898 -0.18903 178 2PX 0.02324 0.00285 0.00547 -0.01491 -0.03683 179 2PY -0.02894 0.02719 0.13402 0.01601 0.02170 180 2PZ 0.03810 0.00065 -0.09067 -0.03316 -0.04795 181 3S 0.63217 0.99145 1.81178 1.04065 0.76158 182 3PX -0.49302 0.50805 0.48741 0.22532 0.04791 183 3PY -0.18524 -0.26130 -0.64499 -0.50344 -0.50340 184 3PZ -0.26945 0.76200 0.98020 0.58589 0.41087 185 4XX 0.05315 -0.01530 -0.01022 -0.02935 -0.06765 186 4YY -0.03784 -0.02239 -0.04674 -0.04436 -0.02460 187 4ZZ -0.04471 0.01173 0.03338 0.04012 0.06393 188 4XY -0.03859 -0.04301 -0.01031 -0.00653 0.01109 189 4XZ 0.01330 0.02634 0.04914 0.01590 0.00585 190 4YZ -0.03176 -0.01704 0.03045 0.03065 0.07235 191 18 C 1S 0.01677 0.00686 0.00857 0.00707 0.00232 192 2S 0.50978 0.39063 0.37574 0.30094 0.12486 193 2PX 0.03805 0.21207 0.14390 0.10110 0.01042 194 2PY 0.07545 0.10157 0.12083 0.07901 0.01215 195 2PZ -0.00159 0.18347 0.07355 0.06187 0.00366 196 3S -1.69650 0.30127 -0.20430 -0.04366 -0.51329 197 3PX 0.20151 -0.74331 -0.42677 -0.03594 0.24713 198 3PY 0.10064 -0.53584 -0.30728 -0.00273 0.06963 199 3PZ 0.08230 -0.47480 -0.19360 0.00597 0.21976 200 4XX 0.02864 -0.02813 0.00280 0.01523 0.00929 201 4YY -0.03333 0.05372 0.02155 0.03147 0.05437 202 4ZZ 0.07257 0.01998 0.01967 -0.00683 -0.04626 203 4XY 0.04274 0.02041 -0.00095 -0.00559 -0.05444 204 4XZ 0.01261 0.00375 0.02823 0.02918 0.05970 205 4YZ 0.01986 -0.04747 -0.02935 -0.01744 0.03511 206 19 C 1S -0.02539 0.00411 -0.00153 -0.00431 -0.00195 207 2S -0.72928 0.19441 -0.09302 -0.21541 -0.16922 208 2PX -0.08645 0.09397 0.02308 -0.01981 -0.01763 209 2PY 0.03682 -0.03652 0.11056 0.01385 0.11142 210 2PZ -0.13441 0.16740 -0.03810 -0.04732 -0.10021 211 3S 1.77702 0.75321 0.00975 0.43197 -0.26575 212 3PX 0.03385 0.15678 -0.00793 -0.00184 -0.26862 213 3PY 0.16364 0.64086 -0.15907 0.39577 -0.65029 214 3PZ -0.07962 -0.37861 -0.00237 -0.32270 0.24875 215 4XX -0.06057 -0.02121 -0.03342 0.00263 0.07128 216 4YY 0.00710 0.04745 0.02289 0.00086 -0.09037 217 4ZZ -0.04865 -0.00071 -0.00219 -0.03939 -0.00013 218 4XY -0.00893 0.04717 -0.01288 0.00980 0.00537 219 4XZ -0.04174 -0.00768 -0.03086 -0.03369 -0.03483 220 4YZ 0.06250 -0.01794 -0.03596 -0.00412 -0.07218 221 20 C 1S 0.01361 -0.00505 -0.00001 0.00185 0.00215 222 2S 0.57431 -0.29068 -0.06449 0.15387 0.04234 223 2PX 0.02511 0.01045 0.18132 0.01767 0.04274 224 2PY -0.00464 0.03461 0.16616 0.12328 -0.09723 225 2PZ -0.00115 -0.06213 0.04125 -0.04001 0.15369 226 3S -1.58135 0.12434 -0.52730 -0.48319 -0.02694 227 3PX -0.26611 0.74144 -0.63011 -0.12071 -0.58112 228 3PY -0.92982 0.25564 -0.54866 -0.84249 0.03854 229 3PZ 0.39420 0.77850 -0.16152 0.54819 -0.93803 230 4XX 0.04251 0.02687 -0.00812 -0.00936 -0.11172 231 4YY 0.06958 -0.05802 0.04193 0.03595 0.02702 232 4ZZ -0.02488 -0.01390 -0.03373 0.00772 0.10121 233 4XY 0.00320 0.02443 0.00475 0.00331 0.06203 234 4XZ -0.01586 -0.02050 -0.01964 0.00170 -0.04863 235 4YZ -0.08809 0.02483 -0.01382 0.00434 0.02157 236 21 H 1S 0.36843 0.01307 0.25997 0.15202 0.20854 237 2S 0.66147 -0.18346 0.19095 0.59712 -0.33733 238 22 H 1S -0.29089 -0.18578 -0.05033 -0.18275 0.03470 239 2S -0.20858 -0.26124 0.02856 -0.18654 0.16329 240 23 H 1S 0.30618 -0.25077 -0.06982 0.07444 0.17653 241 2S 0.24948 -0.41311 -0.18531 -0.00185 0.15087 242 24 H 1S -0.17132 -0.21214 -0.36213 -0.27619 -0.24646 243 2S -0.12521 -0.20873 -0.44563 -0.29096 -0.28171 244 25 H 1S 0.03342 0.29249 0.09073 0.15920 0.18135 245 2S -0.26856 0.57717 0.18682 0.25245 0.16223 246 26 O 1S -0.00723 0.00686 -0.00111 0.00549 -0.00323 247 2S -0.14123 0.17115 -0.02146 0.04503 0.00609 248 2PX 0.05121 -0.01493 -0.12777 -0.07868 0.24593 249 2PY 0.15477 -0.11324 -0.21579 -0.13698 -0.17301 250 2PZ -0.07861 0.13897 -0.05159 -0.03722 -0.18938 251 3S 0.50122 -0.77458 0.15414 -0.07613 0.26653 252 3PX -0.17589 0.14840 0.22599 0.17112 -0.46594 253 3PY -0.30577 0.19900 0.36562 0.25798 0.20709 254 3PZ 0.03575 -0.04116 0.03609 0.08783 0.27078 255 4XX -0.04412 0.06990 -0.00843 0.01674 -0.03706 256 4YY -0.01651 0.07254 -0.03766 -0.02851 0.06493 257 4ZZ -0.06391 -0.00729 0.02934 0.07042 0.00120 258 4XY 0.01587 -0.05417 0.00598 0.01700 -0.03248 259 4XZ -0.02557 -0.00141 -0.00510 0.00900 0.02245 260 4YZ -0.08484 0.07450 -0.00275 0.01156 0.00026 261 27 H 1S -0.00468 -0.06358 0.02632 0.01301 -0.05110 262 2S -0.15507 0.15870 -0.04117 -0.01746 -0.16584 263 28 H 1S -0.08374 0.19641 -0.00431 -0.06706 -0.08053 264 2S -0.15112 0.11460 -0.04261 0.10158 -0.20105 156 157 158 159 160 V V V V V Eigenvalues -- 1.48778 1.50362 1.53876 1.55045 1.55825 1 1 C 1S -0.01248 -0.02881 0.02434 -0.01898 -0.00580 2 2S -0.00934 -0.42907 0.24897 -0.16959 -0.04152 3 2PX -0.01469 -0.00262 -0.05796 0.14766 -0.07327 4 2PY -0.16187 0.06835 -0.02576 -0.03638 0.03744 5 2PZ 0.12523 0.06953 0.07869 -0.05926 0.01490 6 3S 0.23435 1.00009 -2.34176 0.92419 -0.56465 7 3PX -0.10497 0.46428 0.00985 -0.30502 -0.41246 8 3PY -0.48479 0.00111 0.89081 -0.33968 -0.55016 9 3PZ -0.21935 0.06912 -0.05915 -0.09717 0.50458 10 4XX -0.02331 -0.04700 0.00461 -0.11582 -0.00022 11 4YY -0.04523 -0.03168 0.03178 -0.00659 0.02436 12 4ZZ 0.02887 0.01412 -0.05243 0.11653 -0.04700 13 4XY -0.01398 -0.05257 0.03687 0.03801 0.01138 14 4XZ -0.01673 -0.03416 -0.04230 0.01650 0.03701 15 4YZ 0.05293 0.00880 -0.06436 0.01903 0.02996 16 2 C 1S 0.00477 0.00922 0.01429 0.01151 -0.00003 17 2S 0.10562 -0.04463 0.07450 0.18145 -0.10322 18 2PX -0.00559 0.00707 -0.04132 0.09323 0.20110 19 2PY -0.09403 0.01875 -0.13091 -0.00356 0.02920 20 2PZ 0.15313 0.01573 0.08541 -0.10362 0.12358 21 3S -0.42843 -0.44443 -1.09700 -1.99441 -0.18369 22 3PX -0.18022 0.50235 -1.59144 -1.02486 -1.67581 23 3PY 0.29012 -0.15253 -0.40917 1.03987 0.05251 24 3PZ -0.14245 -0.23609 0.79761 0.38226 0.28841 25 4XX 0.09194 0.03769 -0.00474 -0.00068 0.03044 26 4YY -0.05717 -0.00943 -0.05217 0.02140 -0.09735 27 4ZZ 0.00113 -0.01686 0.05943 -0.04949 0.07917 28 4XY -0.01573 0.02016 -0.08201 0.03617 -0.09799 29 4XZ 0.06508 0.00210 0.01273 0.05729 0.09817 30 4YZ -0.06808 -0.00468 -0.07528 0.00347 -0.04782 31 3 C 1S -0.00348 -0.00299 -0.02181 -0.03694 -0.01016 32 2S 0.11831 -0.03483 -0.45916 -0.85620 -0.11434 33 2PX -0.05194 -0.13832 -0.14933 0.33510 -0.10515 34 2PY -0.06344 0.01479 -0.31313 -0.03230 -0.07162 35 2PZ 0.08818 0.03172 0.12417 -0.16244 0.07055 36 3S 0.54516 0.18536 2.16103 4.34476 1.73595 37 3PX 0.92448 0.12062 1.83299 -1.54803 0.31167 38 3PY 1.08089 -0.46927 4.06652 0.09806 1.08946 39 3PZ -0.74448 0.09778 -1.69024 0.55274 -0.29548 40 4XX -0.07160 -0.12531 -0.05730 -0.04918 -0.01880 41 4YY 0.00764 -0.03103 -0.03148 -0.05672 0.08356 42 4ZZ 0.09269 0.15268 0.03107 0.06086 -0.06689 43 4XY -0.05009 -0.09509 -0.01189 0.00534 0.01085 44 4XZ -0.09316 -0.09723 -0.04045 -0.04069 0.00241 45 4YZ -0.02166 -0.13452 0.00657 0.00439 0.12013 46 4 C 1S 0.00321 0.00112 0.02432 0.00541 0.00020 47 2S -0.03143 0.08983 0.38746 0.19368 0.01018 48 2PX -0.10346 0.01341 -0.13556 -0.02311 -0.05929 49 2PY 0.11482 0.00059 -0.03411 -0.13843 -0.06608 50 2PZ 0.00166 0.00518 0.03813 0.04716 0.00411 51 3S -0.99342 -0.25613 -2.98757 0.21814 -0.80010 52 3PX 1.24128 -0.33019 2.71139 0.60129 0.49103 53 3PY -0.11744 -0.19918 -0.15242 0.35444 0.18647 54 3PZ -0.40886 0.16732 -1.07626 -0.31520 -0.17770 55 4XX 0.05042 0.14418 -0.02014 0.06942 -0.10458 56 4YY 0.02321 0.00555 0.12027 -0.00553 0.04778 57 4ZZ -0.07805 -0.14513 -0.06141 -0.04419 0.05148 58 4XY 0.03870 0.00953 0.00913 0.04502 -0.01373 59 4XZ 0.10540 0.17295 0.06335 0.04298 -0.05575 60 4YZ -0.01390 -0.04451 -0.04013 -0.01396 0.05127 61 5 C 1S -0.00260 0.00071 -0.00432 -0.00269 -0.00393 62 2S -0.09634 0.04322 -0.21430 -0.07714 -0.00846 63 2PX 0.07619 -0.03747 0.08625 0.03441 -0.02299 64 2PY 0.07504 -0.07077 0.14442 0.09846 -0.01725 65 2PZ -0.04716 0.02639 -0.05924 -0.03301 0.02023 66 3S -0.24537 0.22285 -0.51749 -0.57461 0.30654 67 3PX -0.65563 0.28132 -0.00400 0.10740 -0.14677 68 3PY -0.75600 0.43414 -1.17380 -0.50241 -0.15700 69 3PZ 0.39147 -0.20518 0.22392 0.04271 0.06597 70 4XX -0.01061 -0.05943 0.01928 -0.00722 0.04382 71 4YY 0.00279 0.08949 -0.03343 -0.01821 -0.04510 72 4ZZ 0.00475 -0.03064 0.00012 0.01760 0.00358 73 4XY 0.06817 0.04667 0.03301 0.02450 -0.03981 74 4XZ -0.05035 -0.08175 -0.04099 -0.00778 0.03968 75 4YZ 0.08481 0.19552 0.05229 0.07882 -0.10681 76 6 C 1S -0.00196 0.00185 -0.00361 -0.00925 0.00047 77 2S -0.08624 0.06770 -0.05231 -0.20353 0.03561 78 2PX 0.04385 -0.02171 0.03511 0.08089 -0.00150 79 2PY 0.01215 0.03902 -0.00900 -0.10997 0.02455 80 2PZ -0.02460 -0.00046 -0.01231 -0.01220 -0.00139 81 3S -0.17548 -0.11649 0.24472 -0.07194 -0.41187 82 3PX 0.18102 0.23396 -0.87192 -0.88524 0.22898 83 3PY -0.33840 -0.11993 0.04905 0.94782 -0.33049 84 3PZ 0.03000 -0.07586 0.37491 0.21300 -0.04867 85 4XX -0.01500 -0.08662 0.02823 -0.02596 0.05658 86 4YY -0.06676 -0.04038 -0.05837 -0.03751 0.01930 87 4ZZ 0.06609 0.13152 0.03030 0.05178 -0.07992 88 4XY -0.02176 -0.09196 -0.03230 -0.05949 0.05551 89 4XZ -0.03320 -0.08900 -0.02974 0.01737 0.05348 90 4YZ -0.05845 -0.14639 -0.01967 -0.01634 0.07439 91 7 C 1S 0.00438 0.00142 0.00353 -0.00160 -0.00201 92 2S 0.26283 0.02916 0.16813 -0.10303 0.05015 93 2PX 0.06668 -0.07769 0.03864 0.00941 -0.03046 94 2PY 0.14174 -0.02148 0.09162 -0.04561 0.00457 95 2PZ -0.05613 0.04029 -0.04119 0.01948 -0.00715 96 3S 0.11869 -0.37303 -0.44859 -0.30010 -0.28354 97 3PX -0.24130 0.46372 -0.77387 0.34185 0.31541 98 3PY -0.05251 0.34665 -1.13905 -0.42067 0.38536 99 3PZ 0.08760 -0.26102 0.55727 -0.13237 -0.10944 100 4XX 0.07645 0.12630 0.05221 0.00712 -0.09577 101 4YY 0.00646 0.01327 -0.05088 0.00265 0.01534 102 4ZZ -0.04803 -0.13357 -0.00369 -0.02164 0.09050 103 4XY -0.00711 0.05440 -0.00987 -0.04610 0.01243 104 4XZ 0.04705 0.16048 0.02124 0.06207 -0.08436 105 4YZ -0.02892 -0.08231 0.01184 0.01660 -0.01994 106 8 C 1S -0.01173 0.00108 -0.01338 0.01560 -0.00358 107 2S -0.38105 -0.05482 0.15456 0.25047 -0.09518 108 2PX 0.21720 -0.11517 -0.01262 0.30177 -0.00280 109 2PY 0.00819 0.11738 -0.06059 0.04457 0.19934 110 2PZ -0.10383 0.02621 0.04602 -0.19009 0.05547 111 3S 1.74677 -0.01026 2.22147 -0.99459 0.93710 112 3PX -1.18068 0.15746 0.25906 -0.14198 -0.15746 113 3PY 0.54532 -0.82263 2.17371 -1.18874 -0.54221 114 3PZ 0.45244 0.08404 -0.56805 0.43881 -0.01002 115 4XX -0.07738 -0.06461 -0.05867 0.04725 0.00504 116 4YY 0.02008 0.07237 0.07453 -0.03837 -0.03921 117 4ZZ -0.00170 -0.01292 0.00570 0.02212 0.02570 118 4XY 0.00551 0.08813 -0.02768 -0.00197 0.00656 119 4XZ -0.03071 -0.10449 0.02078 -0.05285 -0.01221 120 4YZ 0.07170 0.18397 0.01289 0.04071 -0.14100 121 9 H 1S -0.05702 0.03311 -0.16719 0.24347 0.14197 122 2S -1.05860 -0.20277 0.84307 -0.56280 -0.70159 123 10 H 1S -0.00238 0.12571 -0.22891 -0.13514 0.10660 124 2S -0.02455 0.18097 -0.42162 -0.09164 0.19359 125 11 H 1S -0.09893 -0.06616 0.17758 0.36649 -0.06858 126 2S -0.11127 -0.10465 0.23298 0.47755 -0.12180 127 12 H 1S 0.26424 -0.13954 0.05859 0.04650 0.01351 128 2S 0.35072 -0.20741 0.17176 0.10001 0.01775 129 13 H 1S 0.06169 0.06012 0.27528 0.02979 0.11393 130 2S -0.03294 0.19715 -0.16355 -0.33785 -0.18902 131 14 O 1S -0.00341 -0.01045 -0.01654 0.00214 -0.00802 132 2S -0.14396 -0.14287 -0.05734 0.01309 -0.15118 133 2PX -0.10954 0.20488 -0.45260 -0.27744 -0.17554 134 2PY 0.02573 -0.01084 -0.14161 0.03946 -0.03237 135 2PZ -0.03914 -0.01608 0.15340 0.07978 -0.08285 136 3S 0.18771 0.42590 0.71676 -0.02509 0.40941 137 3PX 0.19489 -0.36873 0.89297 0.55789 0.58528 138 3PY -0.06992 -0.07024 0.00752 -0.15709 -0.04386 139 3PZ 0.11089 0.11011 -0.09689 -0.24234 0.20960 140 4XX -0.00050 -0.04360 -0.02291 0.00215 -0.02070 141 4YY -0.04718 -0.05004 -0.00758 -0.00687 -0.00977 142 4ZZ -0.06553 -0.04211 -0.08108 0.02572 -0.08758 143 4XY 0.03827 -0.03753 0.04717 0.02149 0.10256 144 4XZ 0.00776 -0.00444 -0.08703 -0.03383 -0.03965 145 4YZ 0.03156 0.00079 0.03982 -0.04765 0.04998 146 15 C 1S 0.00663 -0.02153 -0.01462 0.01122 0.01438 147 2S 0.24942 -0.56445 -0.39220 0.31245 0.14736 148 2PX 0.03664 -0.08251 -0.08802 0.07006 0.03455 149 2PY -0.17680 -0.04528 0.12153 -0.00131 -0.00749 150 2PZ 0.13793 0.06528 -0.13303 0.04661 0.07637 151 3S -1.34741 2.33092 1.45648 -1.41504 -0.58093 152 3PX -0.40547 -0.07123 0.89088 -0.38979 -0.30011 153 3PY 2.59716 0.51128 -1.53526 -0.16745 0.70320 154 3PZ -2.30793 -0.65657 2.12516 -0.22048 -0.90985 155 4XX 0.02980 -0.00267 -0.02624 0.05778 0.06095 156 4YY -0.06793 0.06563 -0.01685 0.03411 0.09229 157 4ZZ 0.05311 -0.11396 0.01857 -0.06985 -0.12640 158 4XY 0.02434 -0.12393 0.02756 -0.01465 -0.09975 159 4XZ -0.02073 0.02956 -0.04347 0.03532 0.10724 160 4YZ -0.03524 -0.01175 0.00060 -0.04303 -0.00582 161 16 C 1S -0.02629 0.00278 0.02822 -0.01163 -0.01484 162 2S -0.36988 0.14873 0.57755 -0.34306 -0.23293 163 2PX -0.17385 -0.01523 0.04444 0.02777 -0.03227 164 2PY -0.10382 0.10034 -0.04528 0.04008 0.05817 165 2PZ -0.03615 -0.06204 -0.09847 0.12587 0.06191 166 3S 2.91845 0.03426 -2.51558 0.76951 1.34222 167 3PX 1.50529 -0.14593 -0.97195 0.12010 0.38255 168 3PY 1.97142 -0.42705 -0.90663 -0.18429 0.21309 169 3PZ 0.02683 0.14397 -0.09300 -0.03709 -0.07004 170 4XX -0.06346 0.11048 0.01983 0.00797 0.14963 171 4YY 0.08843 -0.07739 -0.00450 -0.01645 -0.11036 172 4ZZ -0.07220 -0.00714 0.03945 -0.03096 -0.06365 173 4XY 0.03512 0.05437 -0.04229 0.01770 0.06977 174 4XZ -0.02878 -0.02322 0.06118 -0.02764 -0.06185 175 4YZ 0.10996 -0.06686 -0.05181 -0.00264 -0.07054 176 17 C 1S 0.01015 0.00164 -0.00734 0.00346 0.00660 177 2S 0.36679 -0.01675 -0.28218 0.09817 0.17543 178 2PX 0.01491 0.01236 -0.01706 0.01944 0.03091 179 2PY 0.18738 -0.02359 -0.09787 0.01354 0.04775 180 2PZ -0.12457 0.02915 0.07006 0.00645 -0.00714 181 3S 0.04811 -0.21374 -0.12186 0.00165 -0.26356 182 3PX 0.06840 -0.28063 -0.11898 -0.05705 -0.19548 183 3PY -0.88607 -0.20033 -0.21152 0.52967 -0.11313 184 3PZ 0.88376 -0.18767 -0.15715 -0.30122 -0.00311 185 4XX 0.10693 -0.10405 -0.01531 -0.04567 -0.16295 186 4YY -0.03821 0.00529 0.01065 0.00119 0.00176 187 4ZZ -0.03422 0.09214 -0.02514 0.05860 0.17594 188 4XY -0.02157 0.04223 -0.00692 0.03301 0.06700 189 4XZ 0.06133 -0.02733 -0.01098 -0.01625 -0.02843 190 4YZ -0.02398 0.04952 0.05171 -0.03570 0.05113 191 18 C 1S -0.00018 -0.00001 -0.00689 0.00623 0.00256 192 2S -0.05939 0.02498 -0.09382 0.10200 0.02965 193 2PX -0.01293 -0.01817 -0.02480 0.03474 0.00909 194 2PY 0.01484 -0.01076 -0.01945 0.03555 0.01005 195 2PZ -0.02759 -0.01711 -0.01400 0.02128 0.00381 196 3S 0.27872 -0.42951 0.70037 -0.37214 -0.04769 197 3PX -0.02655 0.32070 0.83383 -0.63309 -0.16721 198 3PY -0.21884 0.19040 0.77344 -0.41813 -0.09114 199 3PZ 0.08467 0.27036 0.49677 -0.56884 -0.14540 200 4XX -0.01094 0.02794 0.00554 -0.00619 0.00784 201 4YY -0.08348 0.06044 0.01205 0.05903 0.12531 202 4ZZ 0.08853 -0.08269 -0.01365 -0.05182 -0.13372 203 4XY 0.01416 -0.06137 0.02173 -0.04243 -0.12248 204 4XZ -0.00765 0.07335 -0.01660 0.04301 0.11398 205 4YZ -0.01859 0.03335 0.02348 -0.01337 0.02282 206 19 C 1S -0.00267 -0.00293 0.00549 0.00121 -0.00304 207 2S -0.21119 -0.13549 0.04677 0.05756 -0.06863 208 2PX -0.03550 -0.00864 -0.00548 -0.00992 -0.01003 209 2PY 0.12298 0.06098 -0.04108 -0.06389 0.01188 210 2PZ -0.14051 -0.03957 -0.00136 0.02928 -0.01053 211 3S -0.35934 0.04022 -0.57716 0.28598 0.08787 212 3PX 0.09545 -0.19476 -0.26983 0.16366 0.13589 213 3PY -0.82444 -0.34408 0.76186 0.16031 -0.06255 214 3PZ 0.80018 -0.02210 -0.95731 0.18777 0.09534 215 4XX -0.06765 0.09779 -0.02014 0.07899 0.13124 216 4YY 0.01977 -0.09906 0.00950 -0.04381 -0.14056 217 4ZZ 0.03445 -0.01199 -0.00567 -0.03044 0.00303 218 4XY -0.05878 0.02771 0.01507 0.03815 0.07661 219 4XZ 0.02382 -0.01881 -0.02145 -0.01275 -0.06373 220 4YZ 0.00991 -0.06237 0.06483 -0.07767 -0.11486 221 20 C 1S 0.01470 0.01406 -0.00480 -0.00508 0.00957 222 2S 0.09478 0.29430 0.12754 -0.16592 0.17241 223 2PX 0.11889 0.03163 -0.12147 0.01226 0.11174 224 2PY 0.17798 -0.09841 -0.05709 0.11474 0.11977 225 2PZ -0.00888 0.05863 -0.04267 -0.02630 -0.07307 226 3S -2.14736 -1.32626 1.46118 0.11804 -1.19713 227 3PX -1.19936 -0.58016 0.46460 0.17903 -0.48547 228 3PY -0.18990 0.34180 -0.64421 -0.26138 -0.23056 229 3PZ -1.38217 -0.86231 1.06745 0.29406 -0.15279 230 4XX 0.04559 -0.11160 0.08178 -0.09351 -0.14947 231 4YY 0.02479 0.04472 -0.03519 -0.01365 0.00464 232 4ZZ -0.05846 0.09717 -0.01507 0.08692 0.15508 233 4XY 0.00867 0.06712 -0.02039 0.03376 0.07623 234 4XZ -0.02978 -0.03051 0.03844 -0.01535 -0.04465 235 4YZ -0.04750 0.04057 -0.00115 0.05566 0.04243 236 21 H 1S 0.07445 0.17123 -0.02013 -0.06905 0.00181 237 2S 0.25804 -0.18717 0.42316 0.21590 0.39657 238 22 H 1S 0.26941 -0.06448 -0.23895 0.04772 0.03491 239 2S 0.37649 -0.01050 -0.34698 0.00377 0.01407 240 23 H 1S -0.07102 0.17231 0.29995 -0.23918 -0.07589 241 2S -0.04659 0.18101 0.38356 -0.31929 -0.09306 242 24 H 1S -0.17102 -0.08085 -0.11004 0.17124 0.01013 243 2S -0.35322 -0.06177 -0.05991 0.18330 -0.03575 244 25 H 1S -0.37286 0.06256 0.27230 -0.14160 -0.17883 245 2S 0.19954 -0.16691 0.14807 -0.05919 -0.01025 246 26 O 1S -0.00607 0.00555 -0.00602 -0.01178 -0.00072 247 2S -0.12731 0.03978 -0.00883 -0.13091 -0.13607 248 2PX -0.09441 0.05214 -0.09181 0.34340 -0.23126 249 2PY -0.37160 0.12482 -0.00569 -0.00546 0.05558 250 2PZ 0.11197 0.07035 0.04297 -0.21129 0.27816 251 3S 0.28295 -0.34901 0.42965 0.33311 0.02343 252 3PX 0.17357 -0.06574 0.16039 -0.54610 0.46017 253 3PY 0.53504 -0.28233 0.12896 -0.04094 -0.08480 254 3PZ -0.24539 0.01328 -0.39269 0.53130 -0.49363 255 4XX -0.03407 0.00401 0.02057 -0.04269 0.02358 256 4YY -0.03147 0.04073 -0.05709 0.00002 -0.05528 257 4ZZ -0.04830 -0.01236 0.01801 -0.08996 -0.08738 258 4XY -0.02578 -0.00061 -0.01633 -0.01379 0.00943 259 4XZ -0.01713 -0.00894 0.04528 0.05482 -0.03328 260 4YZ 0.02699 -0.01059 0.02634 -0.03199 -0.00022 261 27 H 1S 0.11683 -0.01818 0.14156 -0.19171 0.09515 262 2S -0.02503 0.05627 0.16621 -0.35583 0.18340 263 28 H 1S 0.10487 -0.08640 -0.00041 -0.07570 0.03937 264 2S 0.08992 -0.11486 -0.02755 -0.04001 0.07457 161 162 163 164 165 V V V V V Eigenvalues -- 1.63503 1.66316 1.67188 1.68131 1.70269 1 1 C 1S -0.09480 0.03036 0.00514 -0.01592 -0.01362 2 2S -1.25686 0.13555 -0.01473 -0.18724 -0.31377 3 2PX 0.02016 0.10383 0.00733 0.01842 0.05078 4 2PY 0.09879 -0.00459 0.04278 0.00192 0.08082 5 2PZ 0.13259 0.12638 0.13375 -0.06269 0.00456 6 3S 3.90058 -2.57858 -1.01220 0.91030 0.63039 7 3PX 0.24773 -0.74848 -0.12172 0.14852 0.29243 8 3PY 0.48186 1.40670 -0.43600 0.66026 -1.33353 9 3PZ -1.82990 -0.31333 0.26505 -0.20628 0.74983 10 4XX -0.02823 -0.01716 -0.06823 0.02344 0.18092 11 4YY -0.08956 -0.02843 0.01212 -0.03564 0.02386 12 4ZZ -0.05144 0.01521 0.04440 0.00366 -0.19763 13 4XY 0.01262 0.07673 -0.01637 0.00850 -0.12663 14 4XZ -0.03275 0.04550 -0.04948 0.06484 0.04724 15 4YZ 0.02939 0.00656 0.06179 -0.01283 -0.11785 16 2 C 1S 0.00689 -0.02458 0.01311 -0.01621 0.02433 17 2S -0.11542 -0.63905 0.30017 -0.22077 0.25390 18 2PX -0.12010 -0.01929 0.11054 0.00143 0.02295 19 2PY 0.06414 0.12729 -0.20690 0.11129 -0.04158 20 2PZ 0.05052 0.00215 -0.03064 -0.00224 -0.03722 21 3S -1.29044 2.23563 1.07290 0.65343 -2.14437 22 3PX 2.06265 -0.16422 -0.30983 0.91327 -1.37529 23 3PY -0.71287 -1.73754 0.45053 -1.00201 1.53827 24 3PZ -0.72218 0.77171 0.33885 -0.32680 0.22060 25 4XX 0.00986 -0.04308 -0.05947 0.05146 -0.12409 26 4YY 0.01334 0.03255 0.17556 -0.12048 -0.01245 27 4ZZ -0.04370 -0.01454 -0.07189 0.04149 0.14359 28 4XY -0.04266 0.00533 0.06105 -0.07600 -0.02296 29 4XZ -0.01936 0.01921 -0.11285 0.13343 -0.03229 30 4YZ 0.02173 0.02630 0.11497 -0.09622 -0.01124 31 3 C 1S -0.00741 0.03243 -0.03216 0.00959 -0.00991 32 2S -0.26136 0.50904 -0.45322 0.04047 -0.05482 33 2PX -0.15271 0.00914 -0.25947 -0.04626 0.05774 34 2PY 0.04214 -0.14534 0.07515 0.00937 -0.20861 35 2PZ 0.05624 0.06582 0.17225 -0.00379 -0.00640 36 3S 0.96432 -3.27892 2.97712 -0.82934 1.22409 37 3PX 0.91914 1.29985 1.98592 0.49858 -1.57444 38 3PY -0.99062 1.94478 -1.35571 -1.20443 2.19416 39 3PZ -0.15530 -1.07098 -0.82785 0.19579 0.15005 40 4XX 0.01934 0.07735 0.08635 -0.09299 -0.01462 41 4YY 0.02451 -0.01576 -0.03403 0.05162 -0.02214 42 4ZZ -0.07725 -0.05125 -0.07984 0.04617 0.06401 43 4XY 0.00810 0.01120 -0.01718 0.01236 -0.01729 44 4XZ 0.00118 0.03880 0.19598 -0.11791 0.03369 45 4YZ -0.05012 -0.03294 -0.13238 0.08890 -0.04551 46 4 C 1S 0.00432 0.00715 0.00844 -0.01204 -0.00924 47 2S 0.09903 -0.01506 0.14859 -0.28365 -0.23455 48 2PX -0.17896 -0.02831 0.16300 0.03513 0.04277 49 2PY 0.12958 0.05301 -0.08266 0.08668 0.01641 50 2PZ 0.01246 -0.02825 -0.09954 -0.01926 -0.00925 51 3S -0.24327 -1.53803 -1.05400 1.30645 0.93198 52 3PX 1.01783 0.42416 0.20414 -0.28959 0.23854 53 3PY -0.45464 0.20968 0.41598 -0.78576 -1.69317 54 3PZ -0.26431 -0.27661 -0.10698 0.25475 0.29618 55 4XX -0.03842 0.01214 -0.06079 0.06005 -0.03540 56 4YY 0.06594 -0.03725 -0.01985 0.01019 0.01445 57 4ZZ -0.02018 0.02012 0.07940 -0.08724 0.01479 58 4XY -0.03240 -0.02588 -0.13336 0.01982 0.02658 59 4XZ -0.05559 0.04468 -0.01632 0.06483 0.03152 60 4YZ -0.05351 -0.13705 -0.06300 -0.01822 0.02042 61 5 C 1S 0.00570 -0.01308 0.01576 0.01207 0.00446 62 2S 0.12172 -0.29985 0.32167 0.28250 0.06369 63 2PX -0.02824 0.08015 -0.12921 -0.07821 0.04324 64 2PY 0.00699 -0.01345 0.04405 -0.05476 -0.10364 65 2PZ 0.00493 -0.04466 0.04015 0.02597 0.00467 66 3S -0.54769 1.38122 -1.16775 -0.79025 -0.92531 67 3PX 0.45487 -1.19752 1.59886 1.00396 0.50857 68 3PY -0.36277 -0.49385 0.60855 0.31379 0.12999 69 3PZ -0.14604 0.63354 -0.80614 -0.50633 -0.26480 70 4XX 0.00312 -0.07462 -0.01448 -0.05513 -0.01457 71 4YY -0.00262 0.02213 -0.00402 0.06643 -0.01186 72 4ZZ -0.00147 0.04221 0.03518 0.00124 0.03274 73 4XY -0.00508 0.03410 -0.08348 0.01698 0.00016 74 4XZ -0.05655 -0.10832 -0.03374 -0.05969 0.04645 75 4YZ -0.09388 0.08447 -0.01049 0.02623 -0.02276 76 6 C 1S 0.00598 0.01316 -0.01714 0.00312 0.00141 77 2S 0.12589 0.27327 -0.37954 0.05548 0.03771 78 2PX -0.00651 -0.09820 0.14460 0.03930 0.04269 79 2PY 0.05821 0.01930 -0.02389 0.07441 0.06606 80 2PZ -0.01482 0.01841 -0.07617 -0.02393 -0.03295 81 3S -0.62174 -0.92862 1.30248 -0.23434 -0.32232 82 3PX 0.31569 0.93311 -1.54313 0.17229 0.23899 83 3PY -0.37044 -1.05774 1.33278 -0.13115 -0.19731 84 3PZ -0.07050 -0.14663 0.35267 -0.00429 -0.04313 85 4XX 0.02052 -0.07884 -0.05990 -0.02982 -0.00267 86 4YY 0.05684 -0.02732 0.01581 0.05197 0.01233 87 4ZZ -0.08099 0.11863 0.02583 -0.02413 0.00030 88 4XY 0.00577 -0.01400 -0.03879 -0.01646 0.03106 89 4XZ -0.03195 -0.13793 -0.04018 0.00116 0.05980 90 4YZ 0.04903 -0.02962 0.06136 -0.01434 0.02662 91 7 C 1S -0.00254 0.00081 -0.00045 -0.01222 -0.00918 92 2S -0.02161 0.06612 0.01452 -0.29717 -0.19464 93 2PX -0.06824 0.08885 -0.20574 -0.05858 0.02281 94 2PY 0.01345 0.01304 0.04663 -0.07679 -0.07747 95 2PZ 0.01565 -0.08529 0.06163 0.02486 0.02991 96 3S 0.25200 0.43462 0.09478 1.33584 0.49559 97 3PX 0.37320 -0.52992 0.19656 0.08437 0.24204 98 3PY 0.39422 -0.08470 0.04986 1.22519 1.15230 99 3PZ -0.17903 0.16530 -0.07127 -0.33118 -0.36850 100 4XX -0.03588 0.08259 0.01860 -0.05888 -0.04682 101 4YY 0.05291 0.01729 0.04404 0.05379 -0.01030 102 4ZZ -0.02214 -0.09832 -0.05274 -0.01583 0.04936 103 4XY 0.01287 0.11292 -0.01345 -0.00118 -0.00954 104 4XZ -0.06404 0.03506 0.04198 -0.04329 0.01438 105 4YZ -0.01380 0.11715 0.05061 0.06519 0.00267 106 8 C 1S 0.00895 -0.02328 0.01922 0.01826 -0.00084 107 2S 0.20061 -0.31732 0.46326 0.34933 -0.06048 108 2PX -0.13336 -0.12210 0.12347 -0.02602 0.12304 109 2PY 0.10845 0.00774 0.00645 0.03234 0.11574 110 2PZ 0.07253 0.02408 -0.04500 -0.02749 -0.13711 111 3S -1.12970 2.39870 -1.70700 -2.02476 0.78565 112 3PX -0.20487 0.52875 -2.00361 -0.99545 -0.41692 113 3PY -0.92278 1.91509 -0.92627 -0.53288 -0.14595 114 3PZ 0.16329 -0.49566 1.05635 0.56286 0.28175 115 4XX 0.04192 0.02054 0.03511 0.04599 -0.02325 116 4YY 0.01748 0.03560 0.05427 -0.00529 0.02228 117 4ZZ -0.06379 -0.06062 -0.07895 -0.01772 0.01555 118 4XY 0.01050 0.03188 0.01989 -0.04857 0.01925 119 4XZ -0.01043 0.08166 0.04111 0.02504 0.04720 120 4YZ -0.03354 -0.00229 0.06598 -0.07874 0.03188 121 9 H 1S -0.08080 -0.01555 -0.33581 -0.26364 -0.03703 122 2S -0.04179 0.53480 -0.89993 -0.05520 -0.46305 123 10 H 1S 0.06302 -0.04117 -0.01093 0.18488 0.27149 124 2S 0.07393 -0.07520 0.02798 0.30715 0.43802 125 11 H 1S -0.10166 -0.26294 0.39523 -0.03862 -0.03634 126 2S -0.18145 -0.41218 0.63843 -0.06711 -0.07053 127 12 H 1S -0.09187 0.22279 -0.38289 -0.22440 -0.05394 128 2S -0.13231 0.38256 -0.59514 -0.35687 -0.11646 129 13 H 1S 0.11334 -0.00815 0.02522 0.12029 0.36150 130 2S 0.02180 0.02957 -0.08547 0.14474 0.48845 131 14 O 1S -0.01872 -0.00315 0.00773 -0.01031 0.00807 132 2S -0.33349 0.13849 0.22973 -0.13525 0.07244 133 2PX -0.11483 -0.04027 -0.02203 -0.05417 -0.02570 134 2PY 0.05439 -0.16354 -0.09906 0.02115 0.04746 135 2PZ 0.04339 0.04643 0.02046 -0.02380 0.03290 136 3S 1.05050 0.21860 -0.66931 0.53978 -0.41906 137 3PX -0.06964 0.07623 0.05578 0.04829 0.19562 138 3PY -0.26054 0.22828 0.15057 -0.01873 -0.04112 139 3PZ 0.14459 -0.02527 -0.27658 0.22849 -0.15181 140 4XX -0.04638 0.06443 0.01745 -0.01548 -0.04691 141 4YY -0.13891 0.00946 -0.03426 0.03991 0.07489 142 4ZZ -0.07753 0.00966 0.16472 -0.13768 0.03272 143 4XY -0.01367 -0.00836 -0.04987 0.11489 0.01504 144 4XZ -0.09001 -0.02540 0.03358 -0.00334 -0.02512 145 4YZ -0.02099 -0.01912 -0.06400 0.03976 0.03551 146 15 C 1S -0.00259 0.04359 0.01033 0.01503 0.00296 147 2S -0.26827 0.65488 0.18803 0.15927 0.03882 148 2PX 0.00320 -0.14101 -0.11951 -0.01919 -0.08342 149 2PY -0.03312 0.01345 -0.08787 0.18423 -0.12322 150 2PZ 0.10637 -0.23904 -0.02966 -0.24261 0.13676 151 3S 0.65257 -2.78737 -1.46433 -0.61816 -0.59775 152 3PX -0.76110 2.17565 0.96155 0.22140 0.11214 153 3PY -0.75321 -0.70092 1.66034 -0.96524 1.87619 154 3PZ -0.29976 3.13324 -0.23046 1.15156 -1.37800 155 4XX -0.06040 0.08756 0.09740 -0.02188 -0.14474 156 4YY 0.02254 -0.05756 -0.03459 -0.02767 0.13628 157 4ZZ 0.00720 0.01218 -0.05740 0.05796 0.00172 158 4XY 0.01254 0.10375 -0.01284 0.00672 -0.05019 159 4XZ -0.01785 0.03764 0.00039 0.04870 0.01463 160 4YZ -0.04860 -0.02776 -0.06277 0.02531 0.05706 161 16 C 1S 0.00470 -0.00006 -0.02054 -0.01608 -0.01218 162 2S 0.07702 -0.08924 -0.37544 -0.41601 -0.15800 163 2PX 0.18060 0.13651 -0.00496 0.03756 0.04382 164 2PY 0.13732 0.03641 -0.05458 -0.13509 0.03795 165 2PZ 0.08421 0.03936 0.04452 0.10362 0.04564 166 3S -0.82376 -0.72723 2.33462 1.03397 1.82384 167 3PX -0.38920 -0.75618 -0.13687 -1.26650 0.22780 168 3PY -1.02532 -0.18541 1.34202 0.55669 0.75984 169 3PZ 0.50229 -0.74209 -1.26793 -1.90446 -0.34077 170 4XX -0.11878 0.04140 0.00842 -0.04679 0.15878 171 4YY 0.05830 0.02561 0.02578 -0.04329 -0.06791 172 4ZZ 0.05747 -0.07847 -0.05128 0.06658 -0.09824 173 4XY 0.01338 -0.11431 -0.02493 -0.03946 0.05885 174 4XZ 0.03944 0.04299 -0.00888 0.03788 -0.06197 175 4YZ -0.00502 -0.08021 -0.00103 -0.00322 -0.11761 176 17 C 1S -0.00514 -0.01711 0.00753 0.01609 0.00249 177 2S -0.06259 -0.32373 0.14817 0.36156 0.04574 178 2PX 0.03212 -0.10384 -0.05393 -0.04504 0.03576 179 2PY -0.01751 -0.08896 0.03409 0.09906 -0.02814 180 2PZ 0.05157 -0.07493 -0.09942 -0.11791 -0.06124 181 3S 0.53582 1.10530 -0.65344 -1.52404 -0.09538 182 3PX 0.00040 0.48094 -0.05871 -0.66113 0.06513 183 3PY 0.83783 1.38516 -0.69700 -1.74348 -0.03183 184 3PZ -0.72504 -0.48426 0.49617 0.51547 0.04072 185 4XX 0.07143 -0.11637 -0.00833 0.02901 -0.17775 186 4YY 0.03923 0.07241 -0.00266 -0.02843 0.18690 187 4ZZ -0.11457 0.03135 0.01358 0.01913 -0.01155 188 4XY -0.00926 -0.04082 -0.05027 -0.02186 -0.13074 189 4XZ 0.03499 -0.00682 0.01944 0.02011 0.10051 190 4YZ -0.11898 0.03799 0.00105 -0.04115 0.10495 191 18 C 1S 0.01114 0.01736 0.00345 0.00418 0.00429 192 2S 0.24402 0.38192 0.08762 0.08345 0.08493 193 2PX 0.04759 0.10209 0.04284 0.02245 0.04242 194 2PY 0.07489 0.07566 -0.02497 -0.14159 0.00943 195 2PZ 0.00460 0.03817 0.05714 0.14301 -0.00703 196 3S -1.21852 -1.34995 -0.08986 -0.36783 -0.28210 197 3PX -0.80073 -1.53811 -0.35664 -0.32025 -0.35177 198 3PY -0.54973 -0.93095 -0.35784 -0.09042 -0.28284 199 3PZ -0.59743 -1.15725 -0.18102 -0.33016 -0.10299 200 4XX 0.00032 -0.09304 -0.04528 0.02232 -0.19054 201 4YY -0.08089 0.13310 0.00629 -0.05622 0.03910 202 4ZZ 0.08403 -0.02320 0.04700 0.03526 0.15494 203 4XY 0.12357 -0.05857 -0.03456 -0.01857 0.01876 204 4XZ -0.02647 0.01413 0.01481 0.01555 0.00798 205 4YZ -0.05558 0.03166 0.00966 -0.02242 0.08334 206 19 C 1S 0.00308 -0.00398 -0.00816 -0.02296 -0.00242 207 2S 0.06074 0.02260 -0.25807 -0.42023 -0.13259 208 2PX -0.02367 -0.06430 -0.05568 -0.00155 0.00110 209 2PY -0.02946 -0.13457 0.00235 0.12566 -0.05594 210 2PZ 0.01376 -0.02482 -0.10451 -0.07420 -0.08668 211 3S -0.02138 0.12134 0.52701 2.07545 0.25378 212 3PX -0.24852 0.30667 0.37161 1.05208 0.08292 213 3PY -0.18897 0.01006 -0.51535 -0.84968 -0.20978 214 3PZ 0.00510 0.31730 0.89721 1.99253 0.25417 215 4XX -0.06173 -0.04103 -0.02755 0.02508 -0.25928 216 4YY 0.10562 -0.03329 -0.04625 -0.01439 -0.00652 217 4ZZ -0.04841 0.07425 0.05599 -0.02857 0.25551 218 4XY -0.05679 0.05348 0.01017 -0.05726 0.09258 219 4XZ 0.09430 -0.11610 -0.02450 0.02723 -0.04005 220 4YZ -0.01404 -0.06009 0.00446 -0.00691 0.11713 221 20 C 1S -0.00084 -0.03101 0.00642 0.00959 0.00811 222 2S -0.03917 -0.44307 0.03640 0.38150 0.04291 223 2PX 0.09874 0.16075 0.01874 0.05609 0.02361 224 2PY 0.10633 0.11065 -0.02976 -0.07639 0.00533 225 2PZ 0.13009 0.12118 0.04428 0.16041 -0.05187 226 3S -0.06846 3.59150 -0.58439 -0.78102 -1.40725 227 3PX -0.46345 0.05196 -0.26903 1.12439 -0.55034 228 3PY -0.43909 -1.71219 0.07579 1.83311 -0.16893 229 3PZ -0.51268 1.46958 -0.40837 -0.12144 -0.55854 230 4XX 0.00082 -0.01398 0.02708 -0.03058 0.21673 231 4YY 0.05647 -0.02912 -0.05671 0.01133 -0.13098 232 4ZZ -0.05814 0.03161 0.04834 0.03597 -0.08126 233 4XY 0.03069 -0.04121 0.05227 -0.07877 0.09106 234 4XZ 0.03677 -0.02589 -0.04347 0.05312 -0.05788 235 4YZ -0.01531 -0.07902 -0.03247 -0.00084 -0.11945 236 21 H 1S 0.14318 0.11089 -0.00910 -0.49025 0.10265 237 2S 0.10705 0.51194 -0.01903 -0.52475 0.17543 238 22 H 1S -0.05154 0.13141 0.22166 0.43253 0.03624 239 2S -0.06258 0.16504 0.35160 0.69719 0.06512 240 23 H 1S -0.21219 -0.41232 -0.11343 -0.07812 -0.08601 241 2S -0.35952 -0.65025 -0.17817 -0.12381 -0.14303 242 24 H 1S 0.14786 0.28027 -0.09788 -0.36280 0.02824 243 2S 0.25010 0.44597 -0.20910 -0.57097 0.01492 244 25 H 1S -0.01728 0.19419 0.15238 0.48303 -0.05924 245 2S -0.32297 0.30446 0.52772 0.64641 0.13747 246 26 O 1S -0.03497 -0.01386 0.00997 0.00289 0.01429 247 2S -0.64637 -0.10393 0.04344 0.11195 0.20786 248 2PX 0.14244 -0.06818 -0.16905 0.07200 0.12681 249 2PY 0.00631 -0.00652 -0.02940 0.05579 -0.01414 250 2PZ 0.23578 -0.05206 0.14354 -0.12650 -0.09333 251 3S 1.45822 0.95924 -0.24891 -0.15339 -0.98986 252 3PX -0.45609 0.05379 0.41239 -0.20132 -0.19860 253 3PY 0.06755 0.15214 0.07117 -0.16045 -0.04349 254 3PZ -0.32337 -0.29257 -0.33592 0.27853 0.61241 255 4XX -0.22324 0.02934 0.10585 -0.06374 -0.08861 256 4YY -0.02587 -0.04391 -0.00714 0.08267 0.01813 257 4ZZ -0.28105 -0.07187 -0.03666 0.06553 0.23854 258 4XY 0.03662 0.02267 -0.08210 -0.02119 0.08892 259 4XZ -0.01126 0.01723 -0.00810 -0.04488 0.00735 260 4YZ 0.08848 -0.08576 0.03642 -0.05022 0.08754 261 27 H 1S -0.21591 0.04547 0.17772 -0.07409 -0.18195 262 2S 0.04023 0.04182 0.15690 -0.08551 -0.16672 263 28 H 1S -0.35719 -0.07975 0.06232 -0.16560 0.09103 264 2S -0.18975 -0.21866 0.11873 -0.19006 0.16712 166 167 168 169 170 V V V V V Eigenvalues -- 1.70682 1.71293 1.72168 1.73644 1.75403 1 1 C 1S -0.00424 0.02341 0.00492 -0.02572 -0.00663 2 2S -0.09821 0.12221 0.30327 -0.35679 -0.02156 3 2PX 0.05774 0.03051 0.01314 -0.12669 0.00387 4 2PY -0.04041 0.07123 -0.19564 0.07217 0.02093 5 2PZ 0.02806 0.09788 -0.09345 -0.00488 -0.04712 6 3S -0.16009 -1.76515 0.71224 1.68727 0.24434 7 3PX 0.29518 0.40820 -0.89628 -0.33908 0.06592 8 3PY 1.24805 -0.40802 0.75273 -1.25726 -0.15126 9 3PZ -0.40326 0.67028 -0.94638 0.13703 0.14508 10 4XX -0.02240 0.02314 -0.10105 -0.00821 0.00524 11 4YY -0.04664 0.06511 -0.03538 0.00735 0.03570 12 4ZZ 0.03777 -0.06246 0.14080 0.00133 -0.03557 13 4XY 0.04857 -0.06074 0.12537 -0.02136 -0.01280 14 4XZ -0.03670 0.01323 -0.02466 -0.02627 0.02713 15 4YZ -0.00018 -0.02294 0.06317 0.03284 0.00656 16 2 C 1S -0.00359 0.01591 -0.00717 0.01529 0.00556 17 2S -0.10161 0.05870 -0.20814 0.01661 0.08627 18 2PX -0.04829 0.02134 -0.15772 -0.07823 0.01887 19 2PY 0.05792 -0.03008 0.06568 0.06640 0.00421 20 2PZ 0.07259 0.06716 0.01250 -0.07615 0.00645 21 3S 0.69623 -1.26247 0.24560 -2.36658 -0.37715 22 3PX 1.29551 -1.54898 0.63161 -1.32056 -0.22992 23 3PY -1.03911 0.74090 -0.01486 0.81187 0.23917 24 3PZ -0.52595 0.32827 -0.16122 0.73841 -0.09005 25 4XX 0.01616 -0.07108 -0.03858 -0.16587 0.01361 26 4YY 0.03117 0.06139 0.04534 0.10834 0.01700 27 4ZZ -0.04705 0.03228 -0.03760 0.01766 -0.02151 28 4XY 0.01580 0.04405 0.02247 0.06037 0.00247 29 4XZ -0.05047 -0.02074 -0.03083 -0.14380 0.05760 30 4YZ 0.04711 0.06562 0.03871 0.09502 0.00539 31 3 C 1S 0.00580 0.00263 0.01733 -0.00729 -0.00318 32 2S 0.02206 0.12494 0.15741 -0.09733 -0.06381 33 2PX -0.06463 -0.00080 0.16799 0.18082 0.04623 34 2PY 0.12354 -0.29293 -0.16377 -0.18922 0.00372 35 2PZ -0.07969 0.00017 -0.02707 0.00234 -0.02497 36 3S -0.75952 -0.19987 -1.43257 0.98683 0.45508 37 3PX 0.84049 -0.89317 -1.52364 -1.67955 -0.26746 38 3PY -1.48628 3.00220 0.02024 3.25396 0.19889 39 3PZ 0.20438 -0.19103 0.62372 -0.33433 0.07259 40 4XX 0.01186 0.05398 0.05680 0.10510 0.12189 41 4YY 0.00169 0.00310 0.02150 -0.08070 0.07598 42 4ZZ -0.03253 -0.03487 -0.08735 -0.01696 -0.19712 43 4XY 0.00568 0.02495 0.02261 -0.01464 0.13777 44 4XZ -0.01393 0.09751 0.06166 0.11475 0.10427 45 4YZ -0.01233 -0.00784 0.01426 -0.16832 0.23256 46 4 C 1S 0.00378 -0.01099 -0.02677 0.01163 0.00632 47 2S 0.13273 -0.33247 -0.54534 0.18575 0.13212 48 2PX -0.04975 0.05190 -0.02810 -0.10509 -0.04853 49 2PY 0.01539 0.05417 0.15723 -0.03697 -0.06578 50 2PZ 0.05403 -0.04413 -0.04781 0.05086 -0.04434 51 3S -0.26159 0.89159 2.91695 -1.34690 -0.52786 52 3PX -0.05143 0.42811 -0.39363 0.81805 0.00476 53 3PY 0.80929 -2.08996 -2.44814 -0.15755 0.52837 54 3PZ -0.19658 0.25004 0.69768 -0.19598 -0.17700 55 4XX -0.04425 -0.11541 -0.06247 -0.09620 -0.12572 56 4YY 0.08152 0.03921 -0.00299 0.00952 -0.05180 57 4ZZ -0.03319 0.06656 0.05420 0.09154 0.18515 58 4XY 0.05719 0.01521 0.02031 0.00778 -0.08800 59 4XZ -0.12333 -0.04190 -0.03200 -0.08418 -0.13328 60 4YZ 0.19278 0.04313 -0.04187 0.00074 -0.08728 61 5 C 1S -0.00107 0.00739 0.01229 -0.02056 -0.00622 62 2S -0.01640 0.10698 0.27040 -0.44909 -0.12090 63 2PX 0.02209 0.06280 0.00854 0.14456 0.04282 64 2PY 0.07437 -0.10160 -0.15031 -0.04555 0.02860 65 2PZ 0.07813 0.06198 0.06310 -0.06053 0.03709 66 3S 0.30492 -1.11658 -1.20893 1.35199 0.53144 67 3PX -0.24874 0.75290 1.06561 -1.58467 -0.50164 68 3PY -0.11009 0.08895 0.29382 -0.72347 -0.12250 69 3PZ 0.14761 -0.31082 -0.49272 0.81346 0.31863 70 4XX 0.24974 0.08765 -0.00889 0.00412 0.02442 71 4YY 0.01958 0.03053 0.07975 -0.10257 0.02239 72 4ZZ -0.27534 -0.10825 -0.05809 0.08383 -0.04936 73 4XY 0.09333 0.07247 0.08608 -0.04569 0.04900 74 4XZ 0.23352 0.14924 0.05260 0.02464 0.01457 75 4YZ 0.01419 0.04104 0.03721 -0.14328 0.11485 76 6 C 1S -0.00129 0.00355 0.01143 0.01365 0.00064 77 2S -0.02182 0.08634 0.23369 0.29693 0.01351 78 2PX -0.00253 0.04644 0.03782 -0.12455 -0.03814 79 2PY -0.02089 0.10757 0.15372 -0.02329 -0.04466 80 2PZ 0.08174 -0.01268 -0.03449 -0.00855 -0.01444 81 3S 0.17964 -0.21275 -1.00895 -1.40508 -0.13709 82 3PX -0.08972 0.24476 0.91294 1.06008 0.05887 83 3PY 0.09997 -0.47166 -0.81441 -0.97841 0.01659 84 3PZ -0.04628 -0.03651 -0.21866 -0.25802 -0.03555 85 4XX 0.19533 0.01945 -0.06040 -0.03044 -0.16124 86 4YY -0.07755 -0.04054 0.02610 0.01189 -0.07286 87 4ZZ -0.12449 0.03423 0.04373 0.03397 0.23629 88 4XY -0.05520 -0.03009 -0.04190 0.07072 -0.10798 89 4XZ 0.19434 0.09447 0.02516 -0.08393 -0.17998 90 4YZ -0.23959 -0.14721 -0.11292 0.14046 -0.11592 91 7 C 1S 0.00672 -0.01212 -0.02529 0.00155 0.00388 92 2S 0.14602 -0.26596 -0.53716 0.05198 0.09245 93 2PX 0.01926 0.04604 0.00604 0.13903 -0.01026 94 2PY 0.06135 -0.08596 -0.15330 -0.02498 0.00866 95 2PZ 0.07897 0.03126 0.01603 -0.02879 -0.06564 96 3S -0.47021 0.91454 2.23009 -0.59731 -0.46112 97 3PX -0.00495 -0.16585 0.14322 0.14290 0.05100 98 3PY -0.66688 1.30853 2.45281 -0.23544 -0.46204 99 3PZ 0.15003 -0.21321 -0.58914 0.00724 0.02009 100 4XX 0.03463 0.02748 -0.00848 0.06150 0.15965 101 4YY -0.10294 -0.07425 0.01941 -0.03776 0.02024 102 4ZZ 0.07427 0.03111 -0.02909 -0.01924 -0.17263 103 4XY -0.13741 -0.04302 0.00251 0.06294 0.08678 104 4XZ 0.02992 0.10087 0.06889 0.07473 0.16636 105 4YZ -0.34523 -0.11688 -0.00930 -0.05182 0.05240 106 8 C 1S 0.00043 -0.00383 0.01528 -0.02122 -0.00469 107 2S -0.02964 0.06292 0.35315 -0.30603 -0.08991 108 2PX -0.05702 0.06878 0.04899 -0.11158 0.01151 109 2PY -0.03581 0.08883 0.16676 0.12363 0.01228 110 2PZ 0.06595 -0.02962 -0.04384 0.02064 0.11069 111 3S -0.37187 0.96246 -1.85567 2.56846 0.44834 112 3PX 0.27973 -0.41969 -1.07386 1.93492 0.59160 113 3PY -0.20443 0.81429 -0.58509 0.64959 0.03245 114 3PZ -0.10588 0.04132 0.63094 -0.89651 -0.21630 115 4XX -0.11723 -0.12758 -0.01592 -0.04831 -0.11005 116 4YY 0.00666 0.05249 0.01385 0.04646 -0.07387 117 4ZZ 0.09932 0.09206 0.02086 0.00324 0.18354 118 4XY -0.01192 -0.01832 0.00848 0.11274 -0.08609 119 4XZ -0.20397 -0.01750 -0.02025 -0.04160 -0.11060 120 4YZ 0.06085 0.04430 -0.03460 0.12187 -0.14688 121 9 H 1S 0.06520 -0.18989 -0.16975 0.35949 0.11283 122 2S 0.11432 0.08732 -0.36335 0.56747 0.17703 123 10 H 1S -0.15041 0.29357 0.40105 0.00318 -0.07091 124 2S -0.22534 0.42307 0.71790 -0.00849 -0.11993 125 11 H 1S -0.00228 -0.08781 -0.21044 -0.22313 0.00432 126 2S 0.00524 -0.14301 -0.36097 -0.40677 0.00295 127 12 H 1S 0.03622 -0.09787 -0.17949 0.33191 0.09951 128 2S 0.07600 -0.17879 -0.31495 0.56242 0.17266 129 13 H 1S -0.18658 0.41824 0.37385 0.13854 -0.07681 130 2S -0.27584 0.61454 0.66657 0.10281 -0.16187 131 14 O 1S -0.00882 0.00355 0.01022 -0.00159 0.00516 132 2S -0.09287 0.10037 0.19953 -0.00307 0.05118 133 2PX -0.04789 -0.07373 -0.07836 -0.08283 -0.00075 134 2PY -0.03332 -0.06185 -0.04766 -0.04456 -0.00889 135 2PZ -0.02886 0.01656 0.04994 0.00360 -0.01770 136 3S 0.43038 -0.24280 -0.54520 0.21062 -0.18287 137 3PX -0.10795 0.27728 0.03089 0.18101 0.03640 138 3PY 0.00613 0.04483 0.16108 -0.07360 0.04799 139 3PZ 0.18009 -0.09459 -0.15269 -0.11571 0.00639 140 4XX -0.00362 -0.02847 0.03190 -0.02901 0.02697 141 4YY -0.05653 0.01575 0.02009 -0.03495 0.01966 142 4ZZ -0.01945 0.08264 0.10390 0.05903 0.00527 143 4XY -0.03615 -0.00187 -0.00380 -0.09472 0.03356 144 4XZ -0.00178 -0.00407 -0.01509 -0.06011 -0.00224 145 4YZ -0.01458 0.01228 -0.02755 -0.05612 -0.01054 146 15 C 1S 0.00516 0.01382 -0.00886 -0.00255 -0.00319 147 2S 0.02877 0.25453 -0.05338 -0.09354 -0.06933 148 2PX -0.14889 -0.06804 0.20557 0.07299 0.01111 149 2PY 0.03140 -0.17350 0.14726 0.11337 0.03758 150 2PZ -0.15835 -0.07076 0.08095 0.09651 -0.00386 151 3S -0.22320 -1.29973 0.51784 0.18449 0.30425 152 3PX 1.22149 1.37361 -1.53646 -1.57832 -0.23396 153 3PY -0.25819 1.75447 -2.17717 -0.16764 -0.07611 154 3PZ 1.53834 0.69751 -0.41332 -1.90900 -0.17812 155 4XX 0.03277 -0.05208 0.11310 0.04562 0.00809 156 4YY -0.03828 0.02875 -0.06180 -0.07377 0.14733 157 4ZZ 0.01017 0.03396 -0.05373 0.03525 -0.15877 158 4XY -0.00870 0.03285 0.03589 0.02547 -0.15364 159 4XZ 0.00940 -0.01288 0.00602 -0.05447 0.12441 160 4YZ -0.01321 0.02775 -0.05633 -0.06048 0.04366 161 16 C 1S -0.00595 -0.00454 0.01337 -0.01378 -0.00275 162 2S -0.18412 -0.02560 0.20780 -0.34304 -0.07153 163 2PX 0.02181 0.05650 -0.11270 0.02162 -0.03863 164 2PY -0.00884 0.04530 -0.08907 -0.13279 0.01557 165 2PZ 0.01738 0.00490 -0.04733 0.06836 0.05011 166 3S 0.22574 0.98486 -1.90759 1.62282 0.32469 167 3PX -0.70847 -0.05577 0.59883 -0.22545 -0.18567 168 3PY 0.04023 0.66791 -0.70233 0.60926 0.01723 169 3PZ -0.87681 -0.57149 1.26230 -0.72476 -0.21478 170 4XX 0.06209 -0.12621 -0.02737 0.03546 0.08189 171 4YY -0.00082 0.00717 0.06075 0.03247 -0.15128 172 4ZZ -0.06444 0.12373 -0.04514 -0.07789 0.07221 173 4XY -0.07747 0.04913 -0.03859 -0.05166 0.09541 174 4XZ 0.03131 -0.06526 0.07109 0.05262 -0.07138 175 4YZ -0.03163 0.01541 0.07289 0.00958 -0.07375 176 17 C 1S 0.00027 -0.00763 0.00164 0.02176 0.00532 177 2S 0.00398 -0.16843 0.04921 0.45609 0.10875 178 2PX -0.02488 -0.12872 0.11185 0.04241 0.05360 179 2PY -0.02510 -0.01552 0.02799 0.12486 -0.00264 180 2PZ -0.08688 -0.00081 0.07428 -0.01527 -0.03660 181 3S -0.22004 0.43123 0.08940 -1.59834 -0.48503 182 3PX -0.11088 0.36707 -0.07597 -0.67678 -0.18037 183 3PY -0.09398 0.57555 -0.19139 -1.80012 -0.46370 184 3PZ -0.05134 -0.03723 0.13572 0.58846 0.06464 185 4XX -0.05979 0.08688 0.05781 -0.04957 0.01226 186 4YY 0.11202 -0.22477 0.07939 -0.04200 0.07007 187 4ZZ -0.04935 0.12823 -0.13358 0.10672 -0.07983 188 4XY -0.09680 0.13100 -0.04739 0.04566 -0.06456 189 4XZ 0.05909 -0.15455 0.08729 0.00462 0.06026 190 4YZ 0.05122 -0.10431 0.02991 -0.02275 0.00642 191 18 C 1S 0.00655 0.00709 -0.01291 -0.00573 -0.00212 192 2S 0.14364 0.17009 -0.27914 -0.13102 -0.04010 193 2PX 0.05280 -0.00308 -0.01298 -0.04197 -0.02492 194 2PY -0.03705 0.09207 -0.03841 -0.10611 -0.01960 195 2PZ 0.03712 0.05108 -0.10176 0.08713 0.03508 196 3S -0.64850 -0.39750 1.18584 0.46775 0.17317 197 3PX -0.54741 -0.60756 1.03270 0.46879 0.14180 198 3PY -0.29191 -0.49038 0.70572 0.29273 0.13280 199 3PZ -0.43454 -0.39246 0.66284 0.33857 0.08352 200 4XX -0.13480 0.27848 -0.19769 0.09680 0.05365 201 4YY 0.04299 -0.07652 0.08688 -0.04191 -0.18608 202 4ZZ 0.09977 -0.18964 0.09594 -0.06466 0.12966 203 4XY -0.00718 -0.03767 0.02172 -0.05388 0.14051 204 4XZ -0.00883 -0.01314 0.01090 0.07802 -0.10392 205 4YZ 0.06848 -0.16814 0.12968 -0.04534 -0.07387 206 19 C 1S -0.00941 -0.00048 0.01309 -0.01196 -0.00283 207 2S -0.17447 -0.05940 0.28969 -0.28845 -0.05058 208 2PX -0.02633 -0.11752 0.10288 0.03905 -0.02275 209 2PY -0.01201 -0.06106 0.03294 0.11034 0.05064 210 2PZ -0.06441 -0.01209 0.07173 -0.05163 0.02681 211 3S 0.64714 -0.21082 -0.93023 1.50632 0.25436 212 3PX 0.40788 0.04210 -0.51089 0.59242 0.10366 213 3PY -0.34870 0.01767 0.57051 -0.51368 -0.05357 214 3PZ 0.79459 -0.00110 -0.99378 1.12836 0.22542 215 4XX -0.06959 0.12767 0.03974 0.03805 -0.07890 216 4YY -0.03028 0.06805 -0.08469 -0.03718 0.14954 217 4ZZ 0.09280 -0.20163 0.05356 -0.01858 -0.07366 218 4XY 0.02340 -0.11578 0.09863 -0.00749 -0.11159 219 4XZ -0.05532 0.04550 -0.04483 0.06987 0.10095 220 4YZ 0.01480 -0.04471 -0.03533 0.01559 0.08608 221 20 C 1S -0.00300 -0.00827 -0.00346 0.02650 0.00542 222 2S 0.02420 -0.18146 -0.02353 0.43710 0.10723 223 2PX 0.06229 0.01668 -0.07056 -0.09264 0.04297 224 2PY -0.02690 0.05763 0.02141 -0.09963 -0.05283 225 2PZ 0.09467 0.00732 -0.05558 0.02952 -0.04447 226 3S 0.75974 0.74829 0.56324 -2.95728 -0.54193 227 3PX 0.20174 -0.56015 0.46026 0.70862 0.19412 228 3PY -0.02846 -1.28369 0.36196 2.32031 0.43978 229 3PZ 0.26074 0.31261 0.23397 -0.96197 -0.16833 230 4XX 0.02329 -0.06812 -0.05761 0.05648 0.00333 231 4YY -0.03871 0.10321 -0.02945 -0.00141 -0.10975 232 4ZZ 0.02416 -0.03058 0.07988 -0.04110 0.10563 233 4XY -0.01394 -0.06671 0.05271 0.00506 0.09712 234 4XZ -0.01388 0.02529 -0.00216 0.06504 -0.06495 235 4YZ -0.05265 0.05068 0.04714 0.03463 -0.03001 236 21 H 1S -0.04757 0.21926 -0.14686 -0.38576 -0.08656 237 2S -0.01156 0.48936 -0.16751 -0.68662 -0.12535 238 22 H 1S 0.18918 0.03342 -0.21210 0.18429 0.03920 239 2S 0.30861 0.02894 -0.36558 0.34028 0.06161 240 23 H 1S -0.12344 -0.16366 0.23539 0.10924 0.03239 241 2S -0.21195 -0.27340 0.40778 0.18682 0.05636 242 24 H 1S -0.01520 0.14225 -0.06749 -0.35020 -0.08209 243 2S -0.02180 0.21746 -0.11218 -0.58974 -0.13913 244 25 H 1S 0.24590 0.05832 -0.22861 0.12832 0.04814 245 2S 0.28222 0.25851 -0.39303 0.13024 0.02869 246 26 O 1S -0.00865 0.01364 -0.02274 0.00597 0.00117 247 2S -0.06861 0.20120 -0.28901 0.07001 0.00394 248 2PX -0.01475 0.00401 0.00591 0.03023 -0.00124 249 2PY 0.03219 -0.05876 -0.07189 0.06071 0.01271 250 2PZ 0.01581 -0.06973 0.02009 0.00066 0.02461 251 3S 0.46866 -0.57258 1.18326 -0.58611 -0.12542 252 3PX -0.01535 0.01395 -0.05449 0.00762 0.01313 253 3PY -0.06063 0.10090 0.21018 -0.14235 -0.04725 254 3PZ -0.24479 0.21958 -0.35260 0.25511 0.00396 255 4XX 0.02721 -0.01666 0.03720 0.03390 -0.02041 256 4YY -0.00516 0.01855 -0.04102 0.01190 0.01282 257 4ZZ -0.09220 0.17751 -0.23533 0.00029 0.00794 258 4XY -0.01177 0.00572 -0.10450 -0.01106 0.01156 259 4XZ -0.00065 0.01430 0.03054 -0.01264 -0.00880 260 4YZ -0.05681 0.07079 -0.04001 0.00607 0.01264 261 27 H 1S 0.06023 0.01061 0.01277 -0.07539 -0.00694 262 2S 0.07537 -0.04356 0.01800 -0.03739 0.00492 263 28 H 1S -0.13000 0.11296 -0.08823 -0.00903 -0.02430 264 2S -0.26234 0.16178 -0.20784 0.14659 0.00589 171 172 173 174 175 V V V V V Eigenvalues -- 1.76127 1.77047 1.78141 1.78517 1.79205 1 1 C 1S -0.02557 0.01043 -0.00184 0.00802 -0.00063 2 2S -0.30006 0.11467 -0.11835 0.11802 -0.03052 3 2PX -0.07443 0.04842 -0.06467 0.04340 -0.02624 4 2PY 0.03166 0.00166 0.12972 -0.00889 0.05369 5 2PZ -0.02036 0.01059 0.02808 -0.01786 -0.00075 6 3S 1.50355 -0.83478 -0.17607 -0.43606 -0.04417 7 3PX -0.35656 0.18848 0.01773 0.92449 0.15387 8 3PY -0.46389 0.30640 -1.09409 0.29826 -0.66444 9 3PZ -0.68409 0.22726 0.91096 0.21967 0.43693 10 4XX 0.12098 -0.00105 0.05725 -0.01563 0.03353 11 4YY -0.00484 0.02484 0.06482 -0.01376 0.02376 12 4ZZ -0.15032 -0.02004 -0.09544 0.04850 -0.04122 13 4XY 0.00009 -0.00351 -0.09511 -0.02306 -0.04600 14 4XZ 0.09650 0.00807 0.02225 -0.10612 -0.00048 15 4YZ -0.01391 -0.03900 -0.01676 -0.04096 -0.01349 16 2 C 1S -0.01838 0.00103 0.01088 0.02194 0.00863 17 2S -0.14784 0.00617 0.10815 0.30918 0.13264 18 2PX 0.07351 0.03186 0.06938 -0.07126 0.05669 19 2PY 0.00175 -0.01360 -0.04395 -0.02605 -0.04789 20 2PZ -0.04565 0.03652 -0.02748 0.03623 -0.00204 21 3S 1.67748 0.21962 -1.45487 -1.64908 -0.70016 22 3PX 0.70304 0.01203 -1.63834 0.30672 -0.64791 23 3PY -0.55798 -0.13841 0.45686 0.76235 0.45894 24 3PZ -0.09694 -0.03835 0.74889 -0.59945 0.18151 25 4XX -0.06671 0.04811 -0.06282 0.12991 -0.01788 26 4YY 0.01145 -0.05238 0.02452 -0.02525 -0.00617 27 4ZZ 0.05560 0.02275 0.04808 -0.09657 0.03935 28 4XY -0.05032 -0.03302 0.00655 0.06861 -0.00695 29 4XZ 0.04565 0.05386 -0.03921 -0.00568 -0.00548 30 4YZ -0.00431 -0.03421 0.06299 -0.04140 0.01823 31 3 C 1S 0.00120 0.00229 -0.01090 -0.00746 -0.00705 32 2S 0.02464 0.02908 -0.08891 -0.09666 -0.05663 33 2PX -0.17011 -0.03079 -0.00354 0.08349 -0.02346 34 2PY 0.11804 -0.00281 -0.10011 0.02299 -0.01088 35 2PZ 0.03730 -0.01719 0.01799 -0.04313 0.00893 36 3S -0.19248 -0.30592 1.11852 0.70428 0.76973 37 3PX 1.97431 0.11447 -0.27868 -1.53161 -0.21363 38 3PY -1.27904 -0.21472 2.38400 -0.59528 0.51121 39 3PZ -0.57142 -0.05455 -0.44211 0.87999 -0.03649 40 4XX 0.09861 -0.09051 0.06299 -0.01947 0.00954 41 4YY 0.03182 0.01978 -0.01788 0.06947 0.00297 42 4ZZ -0.12485 0.06943 -0.03302 -0.05352 -0.00286 43 4XY 0.08398 -0.01433 0.01532 0.06090 -0.00039 44 4XZ 0.06698 -0.09709 0.10508 -0.01725 0.04961 45 4YZ 0.10525 0.05481 -0.03762 0.13072 -0.00175 46 4 C 1S 0.00996 -0.00329 0.01266 -0.01226 -0.00020 47 2S 0.11377 -0.06620 0.21219 -0.11539 0.00828 48 2PX 0.07052 0.05965 -0.04443 -0.09837 0.02527 49 2PY -0.01826 0.02838 -0.09617 0.00277 -0.02934 50 2PZ -0.06101 0.08048 -0.04095 -0.07479 0.01413 51 3S -1.10219 0.34028 -1.58031 1.65907 -0.04522 52 3PX 0.01679 -0.11695 0.59870 -0.26265 0.07518 53 3PY 0.95001 -0.13940 0.43244 -0.76224 -0.11178 54 3PZ -0.26978 0.08336 -0.32999 0.32562 -0.02310 55 4XX -0.07398 -0.09597 0.01174 0.01357 -0.02519 56 4YY -0.01369 0.10328 -0.07204 -0.12918 0.03142 57 4ZZ 0.08182 -0.00686 0.06462 0.11734 -0.00237 58 4XY -0.07955 0.08370 -0.08525 -0.10677 0.02330 59 4XZ -0.09896 -0.12804 0.06399 0.03679 -0.00875 60 4YZ -0.02646 0.26069 -0.18374 -0.29616 0.09972 61 5 C 1S 0.00306 0.00397 -0.01121 0.00569 0.00204 62 2S 0.05306 0.08083 -0.24168 0.12541 0.03232 63 2PX -0.02760 -0.02251 0.05075 -0.04978 0.02068 64 2PY 0.07419 0.00365 0.00970 -0.05435 0.01211 65 2PZ 0.05464 0.00835 -0.04149 -0.08496 0.05381 66 3S 0.04563 -0.31716 0.78817 -0.71394 -0.35294 67 3PX 0.19819 0.33295 -0.83096 0.46692 0.14679 68 3PY 0.16203 0.13915 -0.38588 0.12229 0.08601 69 3PZ -0.07437 -0.13614 0.42805 -0.17183 -0.10324 70 4XX 0.07008 0.04931 -0.05001 -0.24245 0.09778 71 4YY 0.03894 -0.09798 0.00178 -0.01482 0.01644 72 4ZZ -0.11073 0.05210 0.04617 0.25998 -0.11151 73 4XY 0.03334 -0.10546 0.01246 -0.08250 0.05373 74 4XZ 0.03123 0.08608 -0.07497 -0.24088 0.11349 75 4YZ 0.09045 -0.28879 0.13227 -0.04652 0.07985 76 6 C 1S -0.00783 -0.00194 0.00232 0.00012 -0.00445 77 2S -0.17302 -0.03722 0.05216 0.00203 -0.08150 78 2PX 0.02784 -0.04330 -0.01924 0.01668 0.02354 79 2PY -0.03974 -0.01854 -0.02413 0.02125 -0.00534 80 2PZ -0.00811 -0.14802 0.08178 -0.02406 0.00818 81 3S 0.68924 0.26965 -0.19225 -0.07152 0.36090 82 3PX -0.59994 -0.17670 0.07839 0.07595 -0.27056 83 3PY 0.54938 0.13036 -0.21970 0.04133 0.28400 84 3PZ 0.13510 0.02962 0.01846 -0.03791 0.05515 85 4XX -0.06225 -0.21257 0.11041 -0.01748 -0.01307 86 4YY -0.05535 0.11105 -0.08286 0.04918 -0.04538 87 4ZZ 0.10681 0.10086 -0.01957 -0.02896 0.06136 88 4XY -0.09435 0.05661 -0.00325 0.02988 -0.03728 89 4XZ -0.08491 -0.25333 0.10424 0.00969 0.00401 90 4YZ -0.12489 0.29342 -0.10662 0.07868 -0.07045 91 7 C 1S 0.00838 -0.00140 0.00685 -0.00522 0.00348 92 2S 0.18300 -0.03602 0.14248 -0.13723 0.07760 93 2PX -0.07565 -0.00908 0.05968 0.03311 -0.03996 94 2PY 0.06619 0.00022 0.02668 -0.03919 -0.00103 95 2PZ -0.01277 0.00895 -0.01144 0.08419 -0.05242 96 3S -0.30050 0.17776 -0.88821 0.14744 -0.51081 97 3PX -0.07631 -0.08475 -0.13274 0.23867 0.12754 98 3PY -0.59585 0.07623 -0.74157 0.51653 -0.19344 99 3PZ 0.08943 0.06118 0.17884 -0.22805 0.00734 100 4XX 0.10368 0.18223 -0.05733 -0.01596 -0.01113 101 4YY 0.02743 0.00006 -0.05971 -0.08645 0.05692 102 4ZZ -0.12781 -0.18707 0.12162 0.10017 -0.04059 103 4XY 0.02052 0.04216 -0.01340 -0.12865 0.07665 104 4XZ 0.07386 0.20341 -0.06807 0.04076 -0.01479 105 4YZ 0.02057 -0.00297 -0.04774 -0.26862 0.17334 106 8 C 1S -0.00137 0.00329 -0.01456 0.01061 -0.00224 107 2S -0.06624 0.07504 -0.15297 0.09845 -0.09021 108 2PX 0.06154 0.02658 -0.09906 0.08974 0.04188 109 2PY -0.04230 -0.02740 -0.01289 0.03902 0.02079 110 2PZ 0.00935 0.04833 0.04275 0.09876 -0.06254 111 3S 0.02624 -0.37164 1.87538 -1.10678 0.65873 112 3PX -0.81670 -0.20985 1.28405 0.00525 -0.00566 113 3PY 0.00245 0.12211 0.87241 -0.88446 -0.14960 114 3PZ 0.44561 0.09789 -0.74108 0.05707 0.04289 115 4XX -0.04841 -0.15233 -0.01172 -0.21436 0.11085 116 4YY -0.02760 0.05698 -0.01689 -0.05677 -0.00710 117 4ZZ 0.07100 0.09584 0.02842 0.26829 -0.09808 118 4XY -0.08904 0.00037 -0.00461 -0.10948 0.03587 119 4XZ -0.05209 -0.16719 0.07248 -0.25898 0.13618 120 4YZ -0.06426 0.16442 -0.06084 -0.09709 -0.02983 121 9 H 1S -0.13872 -0.09000 0.13391 0.07424 0.04555 122 2S -0.44062 0.10211 0.68298 -0.15167 -0.28022 123 10 H 1S -0.12554 0.01279 -0.06630 0.10429 0.00110 124 2S -0.19140 -0.00444 -0.19649 0.19017 0.00305 125 11 H 1S 0.12959 0.03117 -0.02103 -0.00694 0.06380 126 2S 0.23457 0.05956 -0.04487 -0.01168 0.11361 127 12 H 1S -0.07094 -0.06347 0.16586 -0.04726 -0.00843 128 2S -0.10921 -0.10737 0.29150 -0.10984 -0.03472 129 13 H 1S -0.15535 0.00736 0.01396 0.07817 0.04235 130 2S -0.26442 0.02704 -0.08207 0.16811 0.02829 131 14 O 1S 0.00654 -0.00216 -0.01271 -0.00099 -0.00380 132 2S 0.04692 -0.02425 -0.18254 -0.07606 -0.09032 133 2PX 0.05768 0.00890 0.00286 -0.02303 0.01236 134 2PY 0.01160 0.00637 -0.00471 0.06852 0.02471 135 2PZ 0.00103 0.01890 -0.01758 -0.01844 -0.00757 136 3S -0.21567 0.08167 0.66406 -0.01333 0.18047 137 3PX -0.12803 0.01312 0.16983 -0.03801 0.06259 138 3PY 0.11589 -0.01642 -0.21691 -0.12875 -0.11561 139 3PZ -0.01595 0.02748 0.03472 0.05136 0.00760 140 4XX 0.02488 -0.00744 -0.06763 -0.00807 -0.04654 141 4YY 0.03595 0.02161 -0.05765 -0.03160 -0.01790 142 4ZZ -0.00970 -0.03321 -0.01938 -0.01231 0.00116 143 4XY 0.04441 0.04022 -0.01384 -0.03808 0.01472 144 4XZ 0.01088 0.00082 -0.02990 0.04034 0.00599 145 4YZ 0.01261 0.03298 0.00740 -0.00559 0.02493 146 15 C 1S -0.00060 0.00296 0.00539 -0.01437 -0.00186 147 2S -0.11691 0.04962 0.03686 -0.09147 -0.02029 148 2PX 0.13634 -0.07011 -0.03708 -0.08505 -0.00526 149 2PY 0.06640 -0.04712 -0.03940 -0.07090 -0.05898 150 2PZ 0.10843 -0.06275 0.04305 -0.02971 0.05932 151 3S 0.55465 -0.18710 -0.28021 0.47593 0.03783 152 3PX -1.64470 0.90409 0.10435 0.98749 -0.08394 153 3PY -0.85221 0.37352 0.91816 1.09457 0.89954 154 3PZ -1.15433 0.69447 -0.89825 0.47453 -0.78411 155 4XX -0.13173 -0.04306 -0.05528 -0.08997 -0.03375 156 4YY -0.10711 0.01903 0.08254 -0.05372 -0.03350 157 4ZZ 0.22423 0.02794 -0.01465 0.14370 0.06755 158 4XY 0.18170 -0.00954 -0.05181 0.01851 0.04432 159 4XZ -0.07360 0.00354 0.00877 -0.10720 -0.05929 160 4YZ 0.01310 0.03115 0.04837 0.01088 -0.00789 161 16 C 1S -0.00030 0.00223 -0.00432 -0.00306 -0.00538 162 2S 0.03355 0.06484 -0.06756 -0.05705 -0.06175 163 2PX 0.04290 -0.00348 -0.00887 0.02057 0.06704 164 2PY -0.02368 0.04517 0.03374 0.01485 -0.02559 165 2PZ 0.01899 -0.00287 0.07162 -0.06311 -0.05081 166 3S -0.37369 -0.13780 1.03955 0.63721 0.79912 167 3PX 0.29335 -0.14180 -0.13185 -0.10143 0.20189 168 3PY -0.45975 0.07067 0.59207 0.21699 0.34430 169 3PZ 0.51668 -0.13266 -0.39052 -0.38428 -0.01580 170 4XX -0.07750 -0.12550 -0.27570 0.11809 0.21537 171 4YY 0.09441 0.03438 0.03487 0.06058 0.11313 172 4ZZ -0.03466 0.09855 0.25184 -0.16731 -0.33008 173 4XY -0.03605 0.00561 0.07210 -0.09205 -0.15378 174 4XZ 0.08078 -0.01474 -0.05666 0.02788 0.09744 175 4YZ 0.03954 0.06110 0.11529 -0.00774 -0.06015 176 17 C 1S 0.00448 -0.00584 0.00335 -0.00058 0.00161 177 2S 0.14774 -0.13155 0.06376 -0.05920 0.03082 178 2PX 0.03363 -0.03898 -0.02762 -0.01961 0.08048 179 2PY 0.08073 -0.03875 0.01802 -0.04514 -0.04220 180 2PZ 0.09512 -0.02334 -0.01863 -0.05098 -0.06618 181 3S -0.23445 0.39242 -0.26665 -0.01669 -0.03959 182 3PX -0.29135 0.19293 -0.01850 0.03743 -0.03585 183 3PY -0.32543 0.44148 -0.31659 0.19998 -0.01061 184 3PZ 0.00228 -0.10404 0.17702 -0.02086 0.08762 185 4XX -0.06645 0.11527 0.25092 -0.11581 -0.17932 186 4YY -0.07295 0.02522 -0.01868 0.08446 0.27359 187 4ZZ 0.14120 -0.14274 -0.23124 0.03158 -0.09463 188 4XY 0.13385 -0.07777 -0.10108 -0.06061 -0.19724 189 4XZ -0.04284 0.02823 0.05025 0.01578 0.15781 190 4YZ -0.02958 -0.03172 -0.13295 0.09912 0.15444 191 18 C 1S -0.00462 0.00430 0.00189 0.00275 0.00058 192 2S -0.10500 0.09280 0.04475 0.05631 0.00499 193 2PX -0.01515 0.07447 0.10975 0.00958 0.00917 194 2PY -0.02759 -0.01079 -0.07670 0.01072 -0.00125 195 2PZ -0.02897 -0.04393 -0.04922 0.00883 -0.01207 196 3S 0.27628 -0.35246 -0.14141 -0.24124 -0.05305 197 3PX 0.36898 -0.31522 -0.14530 -0.19325 -0.02190 198 3PY 0.26330 -0.21654 -0.16275 -0.14131 -0.07106 199 3PZ 0.25051 -0.21934 -0.04622 -0.12149 0.02684 200 4XX -0.05059 -0.19575 -0.31791 -0.00461 -0.03733 201 4YY 0.19362 0.08651 0.09981 0.03824 -0.04321 202 4ZZ -0.15942 0.11652 0.22098 -0.02174 0.08117 203 4XY -0.13841 -0.00326 -0.00134 -0.05108 0.04092 204 4XZ 0.17603 -0.01471 0.00908 0.00240 -0.02752 205 4YZ 0.07635 0.11093 0.17091 0.01913 0.00481 206 19 C 1S 0.00169 -0.00046 -0.00567 -0.00112 -0.00101 207 2S 0.07260 -0.00721 -0.13938 -0.07563 -0.04925 208 2PX 0.12507 -0.03734 -0.02914 -0.04994 -0.09035 209 2PY 0.01318 -0.02843 0.01201 -0.02926 0.04804 210 2PZ -0.01753 -0.00258 -0.01988 -0.03174 0.04861 211 3S -0.00550 -0.10719 0.61159 -0.04109 0.09657 212 3PX -0.12650 -0.00727 0.22199 0.08239 0.04854 213 3PY -0.00892 0.00091 -0.20863 -0.10736 -0.11773 214 3PZ -0.19645 -0.00412 0.47075 0.14699 0.05251 215 4XX -0.01467 0.10876 0.18829 0.04815 0.25492 216 4YY -0.16529 -0.09046 -0.18732 0.00088 0.06533 217 4ZZ 0.17781 -0.01472 -0.00515 -0.04737 -0.32102 218 4XY 0.17228 0.03814 0.08833 -0.03590 -0.15800 219 4XZ -0.06794 -0.07016 -0.07025 -0.00746 0.12629 220 4YZ -0.06298 -0.08011 -0.11696 0.00006 -0.08873 221 20 C 1S 0.00752 -0.00601 0.00830 0.00064 0.00574 222 2S 0.14933 -0.08997 0.09792 -0.05489 0.03844 223 2PX -0.03335 0.00029 -0.05353 -0.06696 -0.09716 224 2PY 0.05139 0.03625 -0.01288 -0.00224 0.05198 225 2PZ 0.03831 0.02778 0.02237 0.02961 0.04488 226 3S -1.00592 0.69752 -1.16316 0.08716 -0.83630 227 3PX 0.10228 -0.21650 -0.06928 -0.26743 -0.21470 228 3PY 0.77904 -0.62805 0.43839 -0.43611 0.04374 229 3PZ -0.46781 0.28428 -0.30857 -0.05487 -0.35966 230 4XX 0.07994 -0.14611 -0.21605 0.00685 -0.20291 231 4YY 0.10002 0.09102 0.09860 0.12399 0.30227 232 4ZZ -0.18613 0.05406 0.12368 -0.12916 -0.09807 233 4XY -0.05936 -0.05389 -0.00094 -0.14103 -0.17643 234 4XZ 0.10684 0.01308 0.01052 0.07647 0.15391 235 4YZ -0.03104 0.07670 0.15388 0.05405 0.18830 236 21 H 1S -0.13267 0.10743 -0.01772 0.15245 0.04646 237 2S -0.25571 0.22485 -0.08170 0.11296 0.01705 238 22 H 1S -0.08056 0.01700 0.07505 0.05612 0.00501 239 2S -0.10750 0.01827 0.14140 0.08632 0.01983 240 23 H 1S 0.07370 -0.06638 -0.03010 -0.02978 -0.00442 241 2S 0.13953 -0.12174 -0.05846 -0.06424 -0.00834 242 24 H 1S -0.08935 0.08428 -0.05682 0.06326 0.00770 243 2S -0.14660 0.15065 -0.08752 0.09117 -0.00658 244 25 H 1S -0.15467 0.05093 0.07456 0.09731 -0.05100 245 2S -0.22829 0.09719 0.10950 0.10978 0.01433 246 26 O 1S -0.02278 0.00327 0.02242 0.00502 0.00858 247 2S -0.28709 0.09199 0.26286 0.04798 0.07489 248 2PX 0.09975 0.00731 -0.03155 0.00405 -0.00735 249 2PY -0.06317 -0.02050 0.05066 0.01709 0.01703 250 2PZ 0.01635 -0.04922 -0.02866 0.04230 0.02039 251 3S 0.71288 -0.12155 -1.09864 -0.21227 -0.46003 252 3PX -0.35229 0.00189 0.14665 0.00969 0.04142 253 3PY 0.19563 0.01934 -0.15312 -0.08893 -0.06017 254 3PZ 0.07815 0.05417 0.33629 -0.08351 0.12117 255 4XX -0.24510 -0.01664 -0.00187 0.04311 -0.00137 256 4YY 0.00120 -0.00127 0.02455 -0.01470 -0.00324 257 4ZZ -0.00544 0.07953 0.20429 0.00904 0.07568 258 4XY 0.11900 -0.00071 0.02429 -0.01993 0.02602 259 4XZ -0.01964 0.01641 -0.03145 0.01536 -0.00886 260 4YZ 0.08598 0.01258 0.05397 0.01301 0.03640 261 27 H 1S -0.21856 0.04005 -0.00261 0.05663 -0.02788 262 2S -0.08743 -0.02840 -0.05932 0.07288 -0.00781 263 28 H 1S 0.00069 0.00418 0.04100 0.04131 0.07330 264 2S 0.11665 -0.03401 0.20623 -0.01255 0.13926 176 177 178 179 180 V V V V V Eigenvalues -- 1.80232 1.86455 1.91492 1.97791 2.00882 1 1 C 1S -0.00993 -0.03248 -0.02804 -0.06387 -0.02243 2 2S -0.10033 -0.44632 -0.36619 -0.49955 -0.63650 3 2PX -0.00653 -0.19342 -0.02953 -0.00893 -0.16967 4 2PY -0.03061 -0.01535 -0.02943 -0.01350 -0.03056 5 2PZ 0.01356 0.01010 0.00774 -0.06267 0.17316 6 3S 0.46875 2.26141 1.79698 3.13511 1.92562 7 3PX -1.61703 -0.60943 -0.22102 0.50557 0.53194 8 3PY -0.09759 -0.48218 -0.28476 -0.43261 -0.85581 9 3PZ -0.61905 0.17637 0.29628 0.61549 0.25290 10 4XX 0.03388 0.14127 -0.02077 -0.20838 0.04528 11 4YY 0.02282 -0.23351 0.01778 0.15595 -0.09016 12 4ZZ -0.10283 0.10685 0.00352 0.03032 0.03740 13 4XY 0.08493 -0.18863 0.00765 -0.05983 0.08349 14 4XZ 0.22227 0.13099 -0.05251 0.03664 -0.09968 15 4YZ 0.03470 0.18949 -0.11466 -0.15472 -0.11431 16 2 C 1S -0.04163 -0.03244 -0.00576 0.00374 0.00575 17 2S -0.59572 -0.20707 -0.03161 -0.16987 -0.06435 18 2PX 0.14534 0.06943 -0.03994 -0.10392 0.20608 19 2PY 0.03932 0.02333 0.02646 0.09820 -0.00258 20 2PZ -0.04733 -0.13092 -0.01804 0.00336 -0.06748 21 3S 3.91150 -1.30107 -0.21616 0.52109 0.23263 22 3PX 0.00098 -0.95525 0.83050 0.86404 -0.56885 23 3PY -1.51032 -1.51399 -0.65261 0.32108 0.88066 24 3PZ 0.71896 1.29161 0.33540 -1.07414 -0.33991 25 4XX -0.20369 0.03762 -0.17369 0.06454 0.07682 26 4YY 0.04598 0.04574 -0.19984 0.15497 -0.07872 27 4ZZ 0.16235 -0.14218 0.33457 -0.27025 -0.00397 28 4XY -0.12382 0.09797 -0.26423 -0.17254 0.20176 29 4XZ 0.09718 -0.04973 -0.18425 0.04913 -0.10602 30 4YZ 0.05518 0.08628 -0.00961 -0.02860 -0.16372 31 3 C 1S 0.02193 -0.01657 0.00231 0.00204 -0.00877 32 2S 0.29496 -0.24889 -0.01369 -0.28879 0.10045 33 2PX -0.16842 -0.13418 -0.01650 0.11093 -0.15707 34 2PY -0.04104 -0.03752 0.07859 -0.11638 0.11349 35 2PZ 0.06676 0.09091 -0.00905 -0.03290 0.02925 36 3S -2.07705 1.35340 -0.31325 0.64285 0.29303 37 3PX 3.09327 1.35576 0.22679 0.33583 0.07074 38 3PY 0.19345 1.46775 -1.08712 -0.29934 -0.11866 39 3PZ -1.45321 -1.10768 0.01194 0.09122 0.05197 40 4XX 0.05644 0.01378 0.06129 0.06450 -0.04485 41 4YY -0.09199 0.03275 0.00538 0.03971 0.06104 42 4ZZ 0.04633 -0.03890 -0.08732 -0.16810 -0.02922 43 4XY -0.05463 0.04059 -0.01697 -0.13785 0.18189 44 4XZ 0.02927 0.00983 -0.00654 -0.14207 -0.05248 45 4YZ -0.11465 -0.05481 -0.00300 0.04050 -0.09245 46 4 C 1S 0.01428 0.00363 -0.00566 0.00300 -0.00308 47 2S 0.03356 0.00786 -0.03319 0.08836 -0.12381 48 2PX 0.16990 0.02232 -0.00701 -0.02898 0.04343 49 2PY -0.01591 0.03401 0.03157 0.06249 0.00922 50 2PZ -0.07069 -0.04103 -0.04311 0.00715 -0.03251 51 3S -2.07187 -1.28941 0.38067 -0.59956 0.20642 52 3PX 0.15826 1.05028 -0.26925 0.30968 -0.03148 53 3PY 0.98134 -0.08583 0.18954 0.25880 -0.13766 54 3PZ -0.28274 -0.35302 0.13389 -0.23084 0.06772 55 4XX 0.01532 -0.03574 -0.04519 -0.01430 0.04536 56 4YY -0.03965 0.03950 -0.00248 0.11478 -0.05863 57 4ZZ 0.01745 -0.03781 0.02906 -0.12784 -0.04050 58 4XY -0.08663 -0.00406 -0.01830 -0.00535 -0.04030 59 4XZ 0.04098 -0.03014 -0.08213 -0.06619 -0.08264 60 4YZ -0.10629 -0.01979 -0.07265 -0.06211 0.00197 61 5 C 1S -0.00104 0.00154 0.00131 -0.01056 0.00170 62 2S -0.04396 0.04637 0.07741 -0.11585 -0.05245 63 2PX -0.04629 -0.01844 -0.03596 0.02706 0.03064 64 2PY 0.02804 0.04634 0.03908 0.00780 -0.00548 65 2PZ -0.05631 0.00585 0.02456 -0.01332 0.00125 66 3S 0.55827 -0.41613 -0.14249 0.50017 -0.09409 67 3PX -0.10092 0.32081 0.24154 -0.29249 0.13578 68 3PY 0.12717 -0.30605 0.16066 -0.22431 0.06277 69 3PZ 0.04266 -0.09892 -0.15315 0.18561 -0.08932 70 4XX -0.07360 0.03038 -0.00120 0.04199 0.00940 71 4YY -0.03231 0.00048 0.03431 0.01451 0.05571 72 4ZZ 0.10542 -0.03262 -0.04357 -0.08523 -0.09795 73 4XY -0.09237 -0.00998 0.01246 0.00685 -0.02968 74 4XZ -0.09738 -0.04204 -0.03633 -0.06171 -0.02724 75 4YZ -0.06494 -0.02694 -0.01085 -0.02633 -0.02678 76 6 C 1S -0.00451 -0.00336 -0.00412 -0.00072 -0.00247 77 2S -0.10409 -0.07270 -0.06565 0.01983 -0.09365 78 2PX 0.01140 0.02979 0.00748 0.02231 0.02403 79 2PY -0.02380 -0.00096 -0.01405 -0.01319 0.00023 80 2PZ 0.00423 -0.03055 -0.00647 0.00378 -0.00865 81 3S 0.52566 0.11813 0.26949 -0.59546 0.26807 82 3PX -0.41595 -0.29082 -0.10676 0.27687 -0.07898 83 3PY 0.20712 0.04281 0.22145 -0.19835 0.00019 84 3PZ 0.12676 0.14341 0.01997 -0.10118 0.03455 85 4XX 0.08628 -0.00665 -0.02853 0.04552 0.00401 86 4YY 0.00556 0.01118 0.02160 0.00593 0.04105 87 4ZZ -0.09600 -0.01477 -0.00969 -0.09392 -0.07043 88 4XY 0.05095 -0.01855 -0.03772 -0.02840 0.01275 89 4XZ 0.06653 -0.05124 -0.04738 -0.05074 -0.05227 90 4YZ 0.05187 0.00728 -0.04399 -0.02495 -0.05622 91 7 C 1S 0.00694 0.00320 0.00004 -0.00766 0.00006 92 2S 0.17728 0.05231 -0.00123 0.00149 -0.11350 93 2PX 0.00046 -0.00051 -0.01385 -0.05421 0.05175 94 2PY 0.09558 -0.00286 -0.00927 0.01954 -0.04647 95 2PZ 0.10404 0.00376 -0.00051 0.01301 -0.01351 96 3S 0.17860 -0.37593 -0.08052 0.33458 0.06616 97 3PX -0.45393 0.03629 0.10103 0.30648 -0.13881 98 3PY -0.43100 -0.08815 -0.08938 0.15602 0.06884 99 3PZ 0.19679 -0.03644 -0.05877 -0.12245 0.04496 100 4XX 0.02366 0.02210 0.01357 -0.00496 0.04831 101 4YY -0.10472 0.01104 0.03678 0.06687 -0.01719 102 4ZZ 0.08460 -0.05330 -0.07098 -0.07924 -0.07764 103 4XY -0.11912 0.00140 -0.01767 0.02728 -0.03990 104 4XZ 0.01330 -0.00393 -0.01547 -0.07450 -0.06466 105 4YZ -0.25073 -0.01559 -0.00843 -0.05177 0.01128 106 8 C 1S -0.01311 -0.00384 0.00301 -0.00787 0.00030 107 2S -0.15091 -0.02608 -0.01673 -0.03047 -0.12169 108 2PX 0.03775 0.01676 0.00066 -0.03339 0.01885 109 2PY -0.02290 0.08116 -0.00422 0.07272 -0.08394 110 2PZ -0.04572 -0.03173 0.00735 0.01761 0.00560 111 3S 1.40782 1.22274 -0.46475 0.01337 -0.09622 112 3PX -1.10954 -0.26652 -0.16912 -0.40542 -0.03961 113 3PY 1.29147 0.11292 -0.44763 -0.46950 0.07355 114 3PZ 0.34032 0.18211 0.21068 0.18275 -0.01410 115 4XX -0.12331 -0.03674 0.01412 0.06798 -0.05699 116 4YY 0.06716 0.04195 -0.02618 0.01579 0.08110 117 4ZZ 0.07202 -0.01419 0.00910 -0.10484 -0.08037 118 4XY -0.01241 -0.04793 -0.07286 0.08485 -0.13294 119 4XZ -0.09163 -0.02652 -0.07262 -0.09457 0.01022 120 4YZ 0.15404 -0.01181 -0.07647 -0.05873 -0.00568 121 9 H 1S -0.27147 -0.06183 -0.06162 -0.14403 0.08579 122 2S -0.28773 -0.34666 -0.17190 -0.43263 -0.05003 123 10 H 1S -0.10684 0.01422 -0.03268 -0.05541 0.03843 124 2S -0.16468 0.00567 -0.03667 0.03134 -0.01412 125 11 H 1S 0.07273 0.02671 0.00992 -0.06981 -0.00477 126 2S 0.13999 0.06595 0.04217 -0.10671 -0.01232 127 12 H 1S -0.03637 -0.05780 -0.06986 -0.00613 -0.02558 128 2S -0.03817 -0.07810 -0.11579 0.06747 -0.06867 129 13 H 1S -0.11528 0.11296 -0.10429 -0.15714 0.09846 130 2S -0.19433 -0.00655 -0.05040 -0.05060 -0.01968 131 14 O 1S 0.01105 -0.05401 -0.02775 0.02245 0.01938 132 2S 0.31555 -0.95548 -0.41428 0.45558 0.33741 133 2PX 0.07578 -0.10448 0.09079 0.08545 -0.13970 134 2PY -0.15105 0.11076 0.11236 -0.11513 0.00765 135 2PZ 0.04526 -0.14443 0.08107 -0.05296 0.07918 136 3S -0.54549 3.23116 1.38145 -1.46540 -1.23822 137 3PX -0.02408 0.27425 -0.22732 -0.23190 0.24793 138 3PY 0.42308 -0.86053 -0.42691 0.54385 0.27839 139 3PZ -0.13861 0.48753 0.15204 -0.03791 -0.26867 140 4XX 0.05965 -0.13503 -0.22894 0.14906 0.13432 141 4YY 0.11809 -0.37555 0.09691 0.03842 0.19140 142 4ZZ 0.04115 -0.16350 -0.17412 0.09295 -0.11586 143 4XY 0.11417 -0.03793 -0.06522 0.02029 -0.16274 144 4XZ -0.02498 -0.06021 -0.22245 -0.15724 0.12109 145 4YZ 0.00619 -0.02915 0.22247 -0.16635 -0.01687 146 15 C 1S 0.02624 0.03258 0.00913 0.01435 0.00012 147 2S 0.18947 0.34210 0.05786 0.32359 0.03710 148 2PX 0.14512 0.00372 -0.08564 0.07366 0.08159 149 2PY 0.11618 0.10406 -0.11667 -0.03899 -0.00024 150 2PZ 0.01890 -0.05746 0.06871 0.07611 0.08176 151 3S -0.94425 -1.86037 -0.77907 -2.16098 -0.57944 152 3PX -1.51768 -1.15488 0.02907 -0.33593 -0.72990 153 3PY -2.06089 -2.23248 0.77123 0.80127 0.46496 154 3PZ -0.30390 0.37338 -1.34017 -0.78032 -0.85583 155 4XX 0.10512 0.04278 0.28888 -0.12320 -0.18798 156 4YY 0.01538 0.00322 -0.09861 0.03428 0.07116 157 4ZZ -0.13068 -0.01813 -0.16247 0.08345 0.05120 158 4XY 0.06521 0.02773 -0.00698 -0.03936 0.05632 159 4XZ 0.15955 -0.00817 -0.12570 0.02356 0.12505 160 4YZ -0.01835 0.07701 -0.19854 -0.05245 -0.06564 161 16 C 1S 0.00662 0.01964 0.00010 -0.00785 -0.00799 162 2S 0.15976 0.17136 0.00466 -0.18314 -0.11612 163 2PX 0.02069 -0.09704 0.00014 -0.07427 -0.01987 164 2PY -0.05476 -0.06667 -0.05068 -0.04165 -0.01597 165 2PZ 0.02921 -0.04455 -0.05640 -0.01196 0.04395 166 3S -1.55219 -2.30247 0.36529 1.19612 0.41809 167 3PX 0.29890 0.64571 0.56234 0.58042 0.51231 168 3PY -0.56951 -0.53633 0.80069 0.91305 0.38592 169 3PZ 0.86980 1.09744 0.41196 -0.19946 0.15687 170 4XX 0.05485 0.07649 -0.01411 0.07199 -0.03433 171 4YY -0.02650 -0.03881 0.18866 -0.03355 -0.05299 172 4ZZ -0.05592 -0.01436 -0.17767 -0.04484 0.02473 173 4XY -0.00071 0.00461 -0.12460 0.08972 0.18060 174 4XZ 0.07831 0.03256 0.03946 -0.00061 0.07809 175 4YZ -0.07463 0.04261 0.09384 0.09050 -0.06048 176 17 C 1S -0.00319 -0.00883 -0.00318 0.00698 -0.00623 177 2S 0.02031 -0.21330 -0.08245 0.01674 -0.10586 178 2PX 0.09893 -0.00375 -0.03710 -0.03843 -0.01759 179 2PY 0.01558 -0.04327 0.01299 -0.01223 -0.03086 180 2PZ 0.04027 0.01104 0.00160 -0.05147 -0.01072 181 3S 0.34780 1.24985 0.80041 -0.32662 0.40663 182 3PX -0.00938 0.40379 0.42325 0.16540 0.15995 183 3PY 0.01852 0.78196 0.36757 -0.39408 -0.04832 184 3PZ -0.03614 -0.06196 0.14141 0.58065 0.26733 185 4XX -0.04081 -0.00460 0.07051 -0.01196 -0.05035 186 4YY 0.09981 0.00642 -0.07227 -0.03200 0.00668 187 4ZZ -0.06425 -0.00360 0.00874 0.01047 -0.02321 188 4XY -0.01752 0.01406 -0.01787 0.02132 0.10029 189 4XZ 0.08846 -0.01013 -0.03239 0.04563 0.14410 190 4YZ 0.01817 0.06951 -0.02508 0.05869 -0.06632 191 18 C 1S -0.00479 -0.00064 0.00581 -0.00708 -0.00712 192 2S -0.09735 -0.02557 0.08825 -0.12179 -0.09279 193 2PX -0.03296 -0.01284 0.00547 0.00597 -0.01529 194 2PY 0.01146 0.03182 0.04423 0.00877 -0.01355 195 2PZ -0.02329 -0.02651 -0.01176 0.00407 -0.01739 196 3S 0.43019 0.10457 -0.47645 1.12062 0.24004 197 3PX 0.32044 0.09182 -0.27926 0.39278 -0.04113 198 3PY 0.25844 0.12137 -0.38576 0.14272 -0.12184 199 3PZ 0.18268 -0.00429 -0.06281 0.36750 0.05675 200 4XX 0.03630 0.00704 0.07269 -0.03625 -0.08844 201 4YY -0.07907 0.03267 -0.02741 0.04777 0.02787 202 4ZZ 0.02049 -0.03796 -0.03515 -0.01417 -0.00080 203 4XY 0.11262 0.01083 -0.03673 0.01363 0.11262 204 4XZ -0.02131 -0.04916 -0.00471 0.00438 0.12104 205 4YZ -0.05406 0.00759 -0.03602 -0.02634 -0.08703 206 19 C 1S 0.00541 0.00745 -0.00044 0.00777 -0.00637 207 2S 0.21875 0.27336 -0.08238 0.06133 -0.12799 208 2PX 0.03764 0.10029 -0.03829 0.01198 -0.03303 209 2PY 0.07168 0.00652 -0.02054 0.01246 0.03230 210 2PZ 0.11186 0.09772 -0.03129 -0.00483 -0.03149 211 3S -0.40438 -0.00961 0.39879 -0.71892 0.20390 212 3PX -0.28441 -0.15361 0.03553 -0.26487 -0.04178 213 3PY 0.29105 0.56112 -0.22002 0.30032 -0.04752 214 3PZ -0.61762 -0.58282 0.20896 -0.55809 -0.07880 215 4XX 0.05860 -0.03286 0.04089 -0.04054 -0.03270 216 4YY 0.09783 0.04926 -0.03312 0.03210 0.02071 217 4ZZ -0.15692 0.00568 -0.00124 -0.00881 -0.05264 218 4XY -0.07042 0.00497 -0.00289 0.03579 0.09962 219 4XZ 0.10224 -0.03608 -0.00103 0.00515 0.13962 220 4YZ -0.06114 0.00495 0.00641 -0.01229 -0.11177 221 20 C 1S -0.00805 -0.01915 0.00448 -0.00541 -0.00351 222 2S -0.00781 -0.26685 -0.02803 -0.19754 -0.10357 223 2PX 0.07349 -0.02949 -0.01142 -0.05105 0.01220 224 2PY 0.08799 0.01658 -0.00937 0.06439 0.07952 225 2PZ -0.00665 -0.02789 -0.02462 -0.11825 -0.07007 226 3S 0.67621 1.67937 -0.88097 0.34721 -0.48251 227 3PX 0.35070 1.03042 -0.32049 -0.14015 -0.16503 228 3PY 0.21080 0.12449 0.05094 -0.54767 0.04074 229 3PZ 0.30593 1.08306 -0.26753 0.20281 -0.19722 230 4XX -0.12863 0.03897 0.03103 -0.00156 -0.09482 231 4YY 0.03650 -0.02890 -0.12023 0.02449 0.05647 232 4ZZ 0.08196 0.00572 0.10286 -0.04549 -0.02375 233 4XY 0.05639 -0.06376 0.11224 -0.04133 0.08764 234 4XZ 0.01190 -0.05787 -0.09584 0.07907 0.17381 235 4YZ -0.00983 -0.00893 0.02406 -0.01709 -0.06392 236 21 H 1S -0.20890 -0.16897 0.08515 0.05997 -0.05555 237 2S -0.04589 -0.10737 0.07909 0.22324 0.00791 238 22 H 1S -0.14893 -0.14416 0.01681 -0.07761 -0.08806 239 2S -0.24784 -0.24377 0.06682 -0.18729 -0.08205 240 23 H 1S 0.04168 0.04008 -0.03444 0.04063 -0.07394 241 2S 0.10163 0.06045 -0.09269 0.09402 -0.07406 242 24 H 1S -0.04519 0.09649 0.06728 -0.01669 -0.07972 243 2S -0.05921 0.19635 0.10246 -0.14388 -0.09545 244 25 H 1S -0.24083 -0.21343 -0.07209 -0.05612 -0.11740 245 2S -0.18799 -0.21529 0.00584 0.15816 -0.07458 246 26 O 1S -0.01961 0.04141 0.02316 0.04773 0.02707 247 2S -0.13565 0.60611 0.38440 0.50492 0.46077 248 2PX 0.03461 -0.15703 0.04249 -0.03565 -0.02958 249 2PY -0.09943 -0.00211 0.03754 0.04031 0.02977 250 2PZ -0.11026 -0.19608 -0.12744 0.02294 -0.07354 251 3S 0.75763 -1.74722 -1.14727 -1.96566 -1.55534 252 3PX -0.12704 0.37449 0.07020 0.33669 0.21887 253 3PY 0.29413 -0.20345 -0.20664 -0.40561 -0.20607 254 3PZ 0.11578 0.70203 0.50705 0.45712 0.46272 255 4XX -0.13777 0.02832 0.21585 -0.05940 0.38956 256 4YY 0.00255 0.22866 -0.08838 0.02469 -0.15263 257 4ZZ -0.00953 0.23882 0.15178 0.43536 0.06347 258 4XY 0.07819 0.03641 -0.10092 -0.35433 0.03094 259 4XZ 0.00775 -0.23845 0.05533 -0.04844 0.06916 260 4YZ -0.02354 -0.25523 -0.03390 0.16909 -0.13404 261 27 H 1S -0.11081 0.01695 0.00270 0.12585 0.06585 262 2S -0.15561 -0.08904 -0.12783 -0.05646 0.02696 263 28 H 1S -0.05827 -0.14305 -0.12445 -0.29111 0.04907 264 2S -0.05470 -0.14630 -0.15334 -0.18696 0.03539 181 182 183 184 185 V V V V V Eigenvalues -- 2.02724 2.05999 2.08279 2.09946 2.11461 1 1 C 1S 0.04630 -0.00472 0.01145 -0.01459 -0.02780 2 2S 0.44156 -0.08158 0.00380 -0.56695 -0.49130 3 2PX -0.08831 0.16551 0.02148 0.11518 0.19346 4 2PY 0.01889 0.04692 -0.04737 0.10480 0.09701 5 2PZ -0.00463 0.03310 0.09168 0.17200 0.05867 6 3S -2.33949 0.06226 -0.85154 0.57446 1.23520 7 3PX -0.38041 0.37614 -0.46698 0.30530 0.61521 8 3PY -0.57921 0.37286 0.27544 -0.24944 0.07501 9 3PZ 0.76322 0.28103 -0.48958 0.52320 0.06843 10 4XX -0.01029 -0.03010 0.00705 0.01174 -0.04708 11 4YY 0.14415 0.07900 0.02084 0.19927 -0.04879 12 4ZZ -0.12092 -0.05447 -0.02016 -0.17712 0.09916 13 4XY 0.15941 0.09159 0.06474 0.19874 0.00224 14 4XZ -0.07390 0.12490 -0.03508 0.02008 0.14972 15 4YZ -0.11654 0.00351 0.06903 -0.01299 -0.01122 16 2 C 1S -0.02638 0.00699 -0.00759 0.01507 0.01597 17 2S -0.58609 0.22893 -0.08080 0.18673 0.49205 18 2PX 0.07240 -0.18501 0.23423 -0.04263 -0.04266 19 2PY 0.09708 -0.02963 -0.08292 -0.06628 -0.11328 20 2PZ -0.09096 0.07839 -0.09721 0.02400 0.10227 21 3S 1.17061 -0.71072 0.96020 -0.42495 -0.84413 22 3PX -1.40037 0.38637 -0.54897 0.14693 0.92413 23 3PY -1.24068 -0.21762 -0.51304 0.09238 0.82517 24 3PZ 1.22135 -0.72575 0.58103 -0.15851 -0.82867 25 4XX 0.10835 -0.16156 -0.16120 0.00253 0.09153 26 4YY 0.05464 0.21389 0.02134 -0.00202 -0.08179 27 4ZZ -0.17761 -0.06014 0.18336 0.02817 -0.04644 28 4XY -0.06385 0.00774 0.13686 0.04726 -0.03740 29 4XZ -0.13963 -0.06872 -0.01492 -0.05989 0.13970 30 4YZ 0.06221 0.21158 0.07709 0.04134 -0.06685 31 3 C 1S 0.00872 0.00681 -0.01943 -0.01061 -0.02692 32 2S -0.01850 0.07416 -0.19318 -0.06702 -0.46612 33 2PX -0.02355 0.02771 -0.07702 -0.12839 0.07294 34 2PY -0.17236 -0.04511 0.16364 -0.01584 0.09657 35 2PZ 0.06696 0.01192 0.00624 0.06898 -0.06458 36 3S -1.38188 -0.81712 2.10178 1.57567 4.00003 37 3PX 0.87112 0.07793 1.65722 0.71392 0.32833 38 3PY 2.16294 0.58668 -1.00749 -0.51196 -2.41694 39 3PZ -0.92456 0.47590 -0.37954 -0.08757 0.27192 40 4XX 0.09004 -0.10470 -0.14439 0.05601 -0.02883 41 4YY 0.02306 0.04592 0.12388 -0.13655 0.04051 42 4ZZ -0.17866 0.05405 0.00679 0.11397 0.02503 43 4XY -0.07227 -0.03308 0.21724 0.05874 0.03542 44 4XZ -0.13897 -0.19167 -0.05602 -0.01832 0.06252 45 4YZ -0.05929 0.21474 -0.08544 0.06854 -0.02926 46 4 C 1S -0.01273 -0.00075 0.01699 0.01082 0.02185 47 2S -0.24809 -0.02234 0.11787 0.22232 0.35993 48 2PX 0.10372 0.02073 0.02698 0.05557 -0.08621 49 2PY 0.07531 0.03384 -0.02453 -0.04056 -0.01409 50 2PZ -0.05823 0.01484 0.00085 -0.01024 0.03426 51 3S 0.15516 0.29392 -2.95355 -1.26083 -2.40299 52 3PX 0.47705 0.00656 -0.13749 0.12155 -0.03275 53 3PY -0.68660 -0.49128 1.81867 0.67750 1.81713 54 3PZ -0.06066 -0.14822 -0.42536 -0.24649 -0.31150 55 4XX -0.00076 0.11591 0.15580 0.02803 -0.02999 56 4YY 0.10371 0.09918 -0.08324 -0.06678 -0.05718 57 4ZZ -0.15459 -0.20389 -0.17988 0.04758 0.05533 58 4XY 0.04596 0.09874 -0.13506 0.17960 -0.07812 59 4XZ -0.06569 0.12856 -0.04348 0.02381 -0.03413 60 4YZ -0.07695 0.14402 0.11747 0.00153 -0.00663 61 5 C 1S 0.00209 0.00287 -0.02542 -0.00394 -0.02251 62 2S 0.08977 0.03793 -0.49663 -0.05512 -0.35705 63 2PX -0.02479 0.00306 0.08716 -0.04936 0.03839 64 2PY 0.07812 -0.02104 -0.08728 0.09095 -0.05296 65 2PZ -0.01187 -0.02020 -0.02724 -0.00277 0.00703 66 3S -1.14113 -0.54271 3.18622 0.93426 3.24096 67 3PX 0.83390 0.26320 -1.73723 -0.49533 -1.80641 68 3PY 0.01961 0.09027 -0.22070 -0.38509 -0.56101 69 3PZ -0.35341 -0.06986 0.80082 0.30154 0.85055 70 4XX 0.00457 -0.04085 0.02247 -0.08053 0.05524 71 4YY 0.06277 0.00526 0.06586 0.05258 -0.02520 72 4ZZ -0.11313 0.03217 -0.13243 0.06886 0.00360 73 4XY 0.01172 0.00888 -0.15888 0.13726 -0.04200 74 4XZ -0.10068 -0.04155 -0.08944 0.04522 0.03150 75 4YZ -0.05226 0.06933 0.03620 -0.03380 0.00038 76 6 C 1S -0.01652 -0.00345 0.01425 0.01107 0.02649 77 2S -0.22501 -0.03604 0.14560 0.16081 0.37586 78 2PX 0.01670 -0.00489 0.04624 -0.05834 0.02506 79 2PY -0.02342 0.00442 0.00743 -0.06299 0.04070 80 2PZ -0.00660 0.00506 -0.01903 0.04154 -0.01976 81 3S 1.47516 0.52374 -2.43845 -1.19869 -3.61134 82 3PX -0.77268 -0.24299 1.28738 0.56084 1.72391 83 3PY 0.40558 0.18844 -1.10151 -0.33420 -1.38235 84 3PZ 0.26072 0.06969 -0.31496 -0.17519 -0.44465 85 4XX -0.00690 -0.03240 0.07102 -0.13078 0.04962 86 4YY 0.07683 -0.00130 -0.02369 0.11065 -0.06414 87 4ZZ -0.10707 0.04052 -0.12931 0.03755 -0.02241 88 4XY -0.01254 0.01376 0.06548 -0.04841 0.01248 89 4XZ -0.06845 -0.04807 -0.17848 0.09290 -0.00747 90 4YZ -0.03369 0.06802 -0.05196 0.02447 -0.02559 91 7 C 1S 0.00422 0.00419 -0.02191 -0.00437 -0.02615 92 2S 0.09082 0.10343 -0.45104 -0.03474 -0.45821 93 2PX 0.03753 -0.03014 -0.03985 0.07277 -0.02449 94 2PY -0.01637 0.02388 -0.07201 0.00060 -0.04045 95 2PZ -0.00432 -0.01626 0.01684 -0.04680 0.02984 96 3S -1.02599 -0.53506 2.82197 0.90962 3.42594 97 3PX -0.44820 -0.04452 0.20933 0.10648 0.56443 98 3PY -0.77728 -0.39108 1.58950 0.67223 2.29925 99 3PZ 0.31356 0.16863 -0.38100 -0.13615 -0.73425 100 4XX 0.01971 -0.05613 0.08060 -0.07133 0.04104 101 4YY 0.02180 0.01139 -0.00975 0.07157 -0.00858 102 4ZZ -0.11252 0.05013 -0.10982 0.04542 0.00249 103 4XY -0.05120 0.02848 0.04845 -0.11146 0.05196 104 4XZ -0.06977 -0.04769 -0.16808 0.06691 -0.00047 105 4YZ -0.00538 0.04480 -0.06287 0.07436 -0.03936 106 8 C 1S -0.02038 -0.00704 0.01124 0.01124 0.03020 107 2S -0.26016 -0.01234 0.06483 0.15679 0.41819 108 2PX -0.01707 -0.00071 0.05700 -0.00378 0.03472 109 2PY 0.01904 0.02757 -0.05394 0.12677 -0.02307 110 2PZ -0.03124 0.03533 0.01844 0.00149 -0.01992 111 3S 2.60972 0.76480 -2.01482 -1.12681 -4.33361 112 3PX 0.23175 0.16145 -1.49507 -0.66443 -1.63100 113 3PY 1.17044 0.24470 -0.25370 -0.64816 -1.48325 114 3PZ -0.25800 -0.39490 0.59258 0.30687 1.06845 115 4XX 0.04701 -0.07106 -0.13571 0.06321 -0.04324 116 4YY 0.03998 -0.09868 0.15599 -0.12982 0.07293 117 4ZZ -0.10441 0.18503 -0.10546 0.07790 -0.07184 118 4XY -0.08036 -0.06917 -0.06668 -0.08154 0.04941 119 4XZ -0.08948 -0.07491 -0.03762 -0.00240 0.02794 120 4YZ -0.00550 -0.19867 -0.12955 0.01611 0.02343 121 9 H 1S -0.14401 -0.04122 0.02852 0.00909 -0.04370 122 2S 0.10231 0.10858 -0.58069 -0.39832 -0.61016 123 10 H 1S -0.08752 -0.04436 0.08737 0.04588 0.19782 124 2S -0.23124 -0.10010 0.33339 0.18596 0.56783 125 11 H 1S 0.03527 0.02418 -0.14160 -0.04283 -0.15409 126 2S 0.16052 0.06504 -0.41404 -0.12176 -0.49211 127 12 H 1S -0.14017 -0.00616 0.16169 0.05323 0.16164 128 2S -0.24212 -0.05677 0.36381 0.16490 0.46018 129 13 H 1S -0.01702 -0.01181 0.01473 0.00183 -0.09581 130 2S 0.19843 0.19013 -0.47758 -0.16140 -0.45698 131 14 O 1S -0.02477 -0.00209 -0.00778 -0.00300 0.00864 132 2S -0.31430 -0.04852 -0.00164 -0.04713 0.09533 133 2PX 0.00591 -0.01136 -0.08308 -0.05891 0.07867 134 2PY -0.06526 -0.05245 -0.01330 -0.00985 0.01348 135 2PZ -0.06156 -0.13197 0.04420 0.01677 0.03103 136 3S 1.31590 0.15032 0.28149 0.16347 -0.54435 137 3PX 0.13616 -0.07959 0.23621 0.02797 -0.20230 138 3PY -0.19680 0.05813 -0.06371 -0.05726 0.04833 139 3PZ 0.18821 0.28901 -0.07859 0.04207 -0.04652 140 4XX 0.08959 -0.37999 -0.25683 0.20539 0.18712 141 4YY -0.20523 -0.05374 0.06088 -0.02644 0.01755 142 4ZZ -0.11068 0.40560 0.15870 -0.19921 -0.12725 143 4XY -0.08107 -0.20351 -0.04285 -0.19101 0.13176 144 4XZ -0.10260 -0.09771 -0.00800 0.06875 0.12363 145 4YZ -0.08225 0.10162 0.10791 -0.07729 -0.07843 146 15 C 1S 0.01359 0.00449 0.01657 0.02600 0.01843 147 2S 0.42873 -0.05081 0.24726 0.19836 0.15917 148 2PX 0.18058 -0.11662 0.02775 -0.15142 -0.18187 149 2PY 0.02521 -0.04654 -0.00930 -0.25929 0.06456 150 2PZ 0.10939 -0.10559 0.00400 0.06766 -0.22744 151 3S -0.80537 -1.34214 -1.16388 -3.29218 -3.45209 152 3PX -0.33246 1.34524 0.02937 1.83216 2.12270 153 3PY 1.29267 0.89698 -0.05200 2.75323 0.90579 154 3PZ -0.98496 0.86388 0.40332 -0.18286 1.73747 155 4XX -0.03683 -0.01881 0.02142 0.17104 0.06628 156 4YY 0.05056 0.03269 -0.02815 -0.21075 0.08383 157 4ZZ 0.00629 -0.08236 0.04853 0.03902 -0.18159 158 4XY -0.00640 0.18295 -0.01076 0.01421 0.20501 159 4XZ -0.03584 0.13526 0.00693 0.19131 -0.03429 160 4YZ 0.16532 -0.03715 0.15306 0.11277 0.07867 161 16 C 1S -0.01384 -0.01958 -0.00187 -0.03584 -0.02406 162 2S -0.05933 -0.25445 0.00634 -0.34577 -0.27539 163 2PX -0.01456 0.00700 -0.02023 0.09892 -0.08655 164 2PY 0.03169 -0.06646 0.02018 0.13471 -0.11827 165 2PZ 0.01380 0.04168 -0.00793 0.00975 -0.01219 166 3S 1.89801 2.00850 0.46434 4.98189 3.24316 167 3PX 0.28968 -0.52537 0.01931 -0.66485 -0.98669 168 3PY 0.73414 0.62362 0.09328 1.41679 0.91879 169 3PZ -0.44812 -1.05843 -0.27562 -1.84364 -1.88790 170 4XX 0.00523 -0.09001 0.07072 0.07252 -0.07989 171 4YY -0.03648 0.06264 -0.10038 -0.07578 0.14670 172 4ZZ 0.07323 0.00117 0.08139 0.09580 -0.00526 173 4XY -0.05866 0.02423 -0.06716 -0.18069 -0.09301 174 4XZ -0.22636 0.08187 -0.10190 0.08744 -0.04228 175 4YZ -0.07121 -0.12135 0.03150 0.05418 -0.14820 176 17 C 1S 0.01383 0.00538 0.01087 0.02945 0.02455 177 2S 0.34115 0.11870 0.22409 0.62074 0.38352 178 2PX 0.11674 0.02280 0.04047 0.00167 0.07831 179 2PY 0.08961 -0.00844 0.05293 0.07415 0.00132 180 2PZ 0.04204 0.04158 -0.01377 -0.04885 0.10605 181 3S -1.09592 -1.61514 -0.86779 -3.95854 -3.75912 182 3PX -0.31715 -0.38742 -0.17004 -0.69991 -0.79196 183 3PY -0.80162 -0.99984 -0.46282 -2.37819 -1.98832 184 3PZ 0.30880 0.28285 0.23612 0.98638 0.56776 185 4XX -0.02366 -0.05922 0.00929 0.04774 -0.08273 186 4YY 0.01036 -0.00946 0.02766 0.04717 -0.01608 187 4ZZ 0.06287 0.01457 0.00620 -0.09750 0.06623 188 4XY -0.13571 0.01337 -0.06255 0.05148 -0.13961 189 4XZ -0.08648 0.07152 -0.09861 -0.08932 -0.06447 190 4YZ -0.00976 -0.10383 0.09670 0.07818 -0.16178 191 18 C 1S -0.00140 -0.01709 -0.00156 -0.02726 -0.02915 192 2S -0.04341 -0.22274 -0.00884 -0.32505 -0.36839 193 2PX -0.00012 -0.01397 0.01805 0.00897 -0.01086 194 2PY 0.01777 0.01504 0.01542 -0.07125 0.13001 195 2PZ -0.00922 -0.03101 0.01827 0.06149 -0.11786 196 3S 0.71299 1.69933 0.82175 3.61219 3.82066 197 3PX 0.43598 0.68881 0.45607 1.71496 1.77045 198 3PY 0.19118 0.46249 0.28421 1.09074 1.02744 199 3PZ 0.38018 0.49341 0.31710 1.26600 1.38728 200 4XX 0.05076 -0.03354 0.04968 0.07673 0.07153 201 4YY -0.09655 -0.02797 0.00088 0.05708 -0.14766 202 4ZZ 0.08869 0.03240 0.00241 -0.07171 0.12919 203 4XY -0.10106 0.00897 -0.04544 0.04705 -0.12470 204 4XZ -0.03939 0.10405 -0.10126 -0.08248 0.11458 205 4YZ 0.06481 -0.05709 0.09105 0.09713 0.05209 206 19 C 1S 0.00423 0.00415 0.01310 0.02379 0.02929 207 2S 0.07486 0.06292 0.23514 0.44016 0.60298 208 2PX -0.01559 -0.04698 0.04014 0.06926 -0.02851 209 2PY -0.02041 -0.03949 0.01002 0.08245 -0.11036 210 2PZ 0.02833 -0.03305 0.03625 0.01699 0.03600 211 3S -0.35520 -1.45743 -1.19959 -3.83759 -4.28786 212 3PX 0.02676 -0.30303 -0.38410 -1.14304 -1.13805 213 3PY 0.05398 0.48548 0.20396 0.51839 1.14011 214 3PZ -0.04239 -0.75573 -0.59896 -1.83205 -2.28742 215 4XX 0.09753 -0.01033 0.02058 -0.04688 0.05481 216 4YY -0.06187 -0.03617 0.00391 0.01566 -0.17164 217 4ZZ 0.00617 -0.01352 0.01475 0.02394 0.10014 218 4XY -0.07887 0.06914 -0.10844 -0.08855 -0.02591 219 4XZ -0.02540 0.09927 -0.08825 -0.07734 0.13310 220 4YZ 0.10367 0.00465 0.01745 -0.10583 0.11990 221 20 C 1S 0.01054 -0.01697 -0.00267 -0.01860 -0.03491 222 2S 0.14612 -0.21144 0.01174 -0.29020 -0.51151 223 2PX 0.00435 0.02764 0.00788 -0.04994 0.12545 224 2PY -0.03999 0.04448 0.03165 0.04754 0.05244 225 2PZ 0.00547 0.00404 0.01551 -0.09387 0.11097 226 3S -1.00984 1.65957 1.00984 2.45941 4.64731 227 3PX -0.20695 -0.38554 -0.20048 -1.26832 -0.96074 228 3PY 0.18821 -1.06541 -0.65090 -1.93700 -2.35068 229 3PZ -0.41324 0.37533 0.13632 0.02770 0.65755 230 4XX 0.03005 -0.01489 0.02024 -0.07577 0.06818 231 4YY 0.03148 0.04505 0.06367 0.11958 0.15928 232 4ZZ -0.03086 -0.05598 -0.01744 0.02756 -0.16040 233 4XY -0.00367 0.13398 -0.07145 0.01117 0.14545 234 4XZ -0.07542 0.08904 -0.09985 -0.10692 -0.09295 235 4YZ 0.10208 -0.01089 -0.00164 -0.15539 0.09634 236 21 H 1S 0.01890 -0.01850 -0.02156 0.03952 0.06091 237 2S -0.00008 0.35670 0.25468 0.57859 0.49092 238 22 H 1S 0.04733 -0.08125 -0.04315 -0.18675 -0.27272 239 2S 0.02983 -0.22962 -0.13759 -0.43619 -0.60779 240 23 H 1S 0.08201 0.04006 0.07477 0.14161 0.14104 241 2S 0.17581 0.17147 0.16557 0.54338 0.54720 242 24 H 1S -0.07162 -0.11651 -0.00949 -0.24609 -0.15318 243 2S -0.19516 -0.26995 -0.10618 -0.58100 -0.46168 244 25 H 1S -0.01222 -0.00882 -0.03525 -0.06234 0.04269 245 2S 0.05293 0.35347 0.13587 0.51889 0.70248 246 26 O 1S -0.00879 0.01336 -0.01978 0.01152 0.02986 247 2S -0.12172 0.11713 -0.19343 0.20810 0.26609 248 2PX 0.11603 -0.07449 0.02982 -0.05815 -0.04819 249 2PY 0.00635 -0.00713 -0.00682 0.10143 -0.00984 250 2PZ -0.02027 0.02168 -0.04140 -0.01958 0.01958 251 3S 0.31715 -0.41687 0.85515 -0.80210 -0.99485 252 3PX -0.32302 0.23094 -0.16714 0.20578 0.29602 253 3PY 0.07742 -0.06342 0.14123 -0.26433 -0.12854 254 3PZ 0.07566 -0.03548 -0.13919 0.12956 0.18396 255 4XX 0.20452 0.09528 -0.13568 -0.01679 0.13021 256 4YY -0.21393 -0.02838 0.07537 0.01102 -0.05034 257 4ZZ -0.05982 0.03773 -0.08453 0.14031 0.14487 258 4XY 0.31390 0.13569 -0.29531 -0.02080 0.00256 259 4XZ 0.13777 0.00802 0.03949 -0.00529 0.01542 260 4YZ -0.02717 -0.04841 0.22358 0.13844 -0.06585 261 27 H 1S -0.15631 0.13264 -0.05374 0.08458 0.15729 262 2S -0.12349 0.02280 -0.00667 0.00094 -0.01073 263 28 H 1S 0.28198 -0.03992 0.01573 -0.11793 -0.10155 264 2S 0.27349 -0.16024 -0.05002 -0.09647 -0.10046 186 187 188 189 190 V V V V V Eigenvalues -- 2.12485 2.14275 2.16374 2.17089 2.19358 1 1 C 1S 0.00445 0.01750 -0.01362 0.02779 0.02726 2 2S -0.24612 0.54699 -0.12977 0.18639 0.29443 3 2PX 0.02943 -0.02127 0.18628 -0.08248 0.06349 4 2PY -0.00993 -0.09417 0.13732 -0.02218 0.08235 5 2PZ 0.04870 -0.16540 -0.04912 0.03647 0.04744 6 3S 0.97511 -1.18994 -0.67958 -3.04266 -1.15986 7 3PX 0.24195 -0.56715 0.59845 -0.26443 0.42458 8 3PY -0.03442 0.66468 -0.14487 0.83155 -1.14673 9 3PZ 0.13391 0.77295 0.40434 -0.08700 0.39730 10 4XX 0.09014 0.05743 -0.06589 0.08480 -0.11949 11 4YY 0.03895 0.14276 0.01014 -0.09497 0.05073 12 4ZZ -0.10068 -0.23515 0.06581 0.00413 0.07706 13 4XY 0.11707 0.03424 -0.10950 -0.05130 0.13323 14 4XZ -0.06890 0.09930 0.07240 -0.07675 -0.03851 15 4YZ -0.09442 -0.17322 -0.02316 -0.09122 0.18834 16 2 C 1S 0.01148 -0.00441 0.02058 -0.01693 0.00781 17 2S -0.07719 0.32626 0.48531 -0.53484 0.28039 18 2PX -0.13094 -0.03764 -0.09874 0.18901 0.06610 19 2PY 0.02660 -0.20383 -0.05689 0.08490 -0.06589 20 2PZ -0.00815 0.02044 0.13002 -0.09645 -0.01658 21 3S -0.76580 0.39870 -2.53712 2.27087 0.69969 22 3PX 0.55214 -0.24978 -0.09465 -0.36246 0.09384 23 3PY 0.47670 -0.92401 1.34188 -1.77085 0.14037 24 3PZ -0.43181 0.48816 -0.39700 1.00116 0.37117 25 4XX 0.14257 0.02966 0.04684 0.04040 0.03869 26 4YY -0.08677 0.01202 -0.01289 -0.05594 -0.08281 27 4ZZ -0.07433 -0.05128 -0.07982 0.11238 -0.00410 28 4XY -0.03391 0.01032 -0.10220 0.09174 -0.17943 29 4XZ -0.15768 0.01137 0.12378 -0.01900 -0.05690 30 4YZ -0.00378 0.14500 -0.08124 0.05134 0.00044 31 3 C 1S 0.01922 -0.02770 0.00940 -0.00515 -0.04999 32 2S 0.18558 -0.51237 -0.06435 0.14720 -0.76640 33 2PX 0.27004 0.01062 0.12446 -0.12056 0.02676 34 2PY 0.14233 -0.01192 -0.14075 0.11097 0.05020 35 2PZ -0.15427 0.02605 -0.04552 0.03481 -0.01282 36 3S -2.43708 3.81959 -1.55460 0.65945 7.19414 37 3PX -2.31288 2.07375 -2.79873 2.53567 2.88405 38 3PY -0.01701 -1.22668 1.91629 -1.16654 -3.09229 39 3PZ 1.06241 -0.56290 0.59475 -0.88330 -0.86279 40 4XX -0.17873 -0.04734 0.03900 -0.03042 0.05407 41 4YY 0.23058 0.04157 0.03070 -0.00458 0.03992 42 4ZZ -0.05653 0.01252 -0.13036 0.09338 -0.00189 43 4XY -0.13298 0.10428 0.02744 -0.01039 -0.11095 44 4XZ 0.08925 -0.02559 -0.05383 0.09300 0.04427 45 4YZ -0.00003 -0.04185 -0.09416 0.02299 -0.01897 46 4 C 1S -0.02639 0.02736 -0.02075 0.01768 0.04457 47 2S -0.35541 0.34067 -0.39913 0.30082 0.75071 48 2PX -0.20716 0.01398 -0.04352 0.04037 0.00570 49 2PY 0.11294 -0.02005 0.01753 -0.02944 -0.00691 50 2PZ 0.07162 0.01743 -0.00116 -0.01116 -0.00412 51 3S 4.04314 -4.26120 3.27742 -2.94051 -6.64991 52 3PX -0.17012 0.17779 0.05688 -0.06291 0.23269 53 3PY -2.05842 2.46577 -2.22727 1.96491 4.27217 54 3PZ 0.51164 -0.70478 0.58497 -0.42071 -0.96459 55 4XX -0.12639 0.11559 0.06104 -0.07513 -0.14212 56 4YY 0.17309 -0.06397 -0.09199 0.04405 0.06467 57 4ZZ 0.00737 -0.13171 0.02950 0.02503 -0.00065 58 4XY -0.17497 -0.00286 -0.09480 0.00688 -0.04549 59 4XZ 0.13964 -0.01643 -0.14325 0.10637 -0.01674 60 4YZ 0.05124 0.07063 -0.05857 0.04160 -0.07092 61 5 C 1S 0.02451 -0.03378 0.01746 -0.01416 -0.04955 62 2S 0.50427 -0.59027 0.11295 -0.10953 -0.69101 63 2PX -0.00500 0.04385 0.03629 -0.02939 0.02379 64 2PY -0.16280 0.00101 -0.00521 -0.00199 0.01134 65 2PZ 0.03496 -0.02922 -0.00414 0.01126 -0.00483 66 3S -3.22330 4.50490 -2.90935 2.49749 6.99518 67 3PX 1.79381 -2.38403 1.32488 -1.15224 -3.59344 68 3PY 0.71671 -0.86436 0.31502 -0.17741 -1.23961 69 3PZ -0.90297 1.20265 -0.64797 0.51866 1.74978 70 4XX 0.17525 -0.01148 -0.10991 0.09702 0.12760 71 4YY -0.20373 0.08711 0.10824 -0.10324 -0.07462 72 4ZZ 0.03633 -0.06800 -0.08508 0.06982 0.04393 73 4XY -0.14372 -0.05167 -0.10296 0.03208 0.02361 74 4XZ -0.02805 -0.02727 0.06015 -0.03565 -0.02727 75 4YZ 0.12768 0.00747 -0.03425 0.02845 0.00103 76 6 C 1S -0.01647 0.02905 -0.01833 0.01373 0.04586 77 2S -0.21022 0.40084 -0.37901 0.31814 0.79550 78 2PX 0.11634 0.00263 -0.00582 -0.02034 0.00123 79 2PY 0.17473 0.00855 -0.02015 0.02750 0.07767 80 2PZ -0.08771 -0.00242 0.00436 -0.00040 -0.01912 81 3S 2.49707 -4.28427 2.54546 -1.87476 -6.89325 82 3PX -1.32756 2.04312 -1.25521 0.96463 3.22944 83 3PY 0.87418 -1.87458 1.10246 -0.90035 -2.87377 84 3PZ 0.38775 -0.46063 0.28807 -0.20361 -0.75853 85 4XX 0.20932 -0.02783 -0.03114 0.05295 0.03618 86 4YY -0.26238 0.03198 0.03876 -0.05361 -0.07224 87 4ZZ 0.10446 -0.08862 -0.02770 0.01880 -0.03935 88 4XY 0.02835 0.06989 0.15259 -0.09656 -0.03546 89 4XZ -0.07472 -0.08202 0.00903 -0.00144 -0.01240 90 4YZ 0.08290 -0.04273 -0.11262 0.06687 -0.01154 91 7 C 1S 0.01655 -0.03490 0.01659 -0.01187 -0.05092 92 2S 0.20401 -0.63432 0.14718 -0.14511 -0.79990 93 2PX -0.14088 0.01157 0.02168 -0.00943 -0.00364 94 2PY 0.01068 -0.06244 -0.00300 -0.01519 -0.06590 95 2PZ 0.06152 0.00929 -0.00107 0.01338 0.02222 96 3S -2.35932 4.66735 -2.84048 2.28130 7.09988 97 3PX 0.06821 0.10850 -0.11923 -0.09936 0.50109 98 3PY -1.25393 2.83765 -1.56415 1.07588 4.39942 99 3PZ 0.21695 -0.63334 0.36285 -0.21219 -1.14886 100 4XX 0.00709 0.06278 0.12498 -0.07785 -0.00184 101 4YY -0.11055 -0.02695 -0.13726 0.09489 0.04320 102 4ZZ 0.08576 -0.02459 -0.06558 0.03195 0.02686 103 4XY 0.26607 -0.02640 -0.06888 0.05616 0.04661 104 4XZ -0.03425 -0.07452 -0.04768 0.05576 0.01989 105 4YZ -0.05233 0.01527 0.04974 -0.06371 -0.01357 106 8 C 1S -0.00772 0.02954 -0.01890 0.01500 0.04977 107 2S -0.11002 0.43327 -0.42670 0.29319 0.75473 108 2PX 0.09399 0.02702 -0.06003 0.02409 0.08784 109 2PY -0.21421 -0.00370 -0.02103 -0.05096 -0.03234 110 2PZ -0.01548 -0.02165 0.01911 -0.00754 -0.05875 111 3S 1.17282 -4.11512 2.77130 -1.89225 -7.10182 112 3PX 1.28996 -2.34537 2.15846 -1.49525 -3.99210 113 3PY 0.21167 -0.44268 0.54686 0.11339 -1.55273 114 3PZ -0.58816 1.07666 -0.95148 0.66621 2.13777 115 4XX -0.12548 -0.10504 0.01434 0.03126 0.00629 116 4YY 0.10830 0.06903 0.11757 -0.06631 0.00411 117 4ZZ 0.06636 -0.05527 -0.14726 0.05337 -0.07387 118 4XY 0.15416 -0.10244 -0.03462 0.04691 -0.00163 119 4XZ 0.01793 -0.02679 0.03628 -0.01910 -0.02366 120 4YZ -0.11665 -0.05665 0.09159 -0.00320 0.02215 121 9 H 1S 0.07052 -0.11508 0.24977 -0.22132 -0.37089 122 2S 0.55154 -0.49874 0.74691 -0.25010 -1.18678 123 10 H 1S -0.04648 0.24193 0.05067 -0.07508 0.28779 124 2S -0.25232 0.61925 -0.37654 0.22006 1.02492 125 11 H 1S 0.10523 -0.16893 0.26707 -0.19780 -0.33184 126 2S 0.36283 -0.64092 0.33514 -0.27316 -0.96076 127 12 H 1S -0.19713 0.22290 0.07244 -0.03771 0.17294 128 2S -0.45706 0.59418 -0.31884 0.25352 0.90672 129 13 H 1S 0.03564 -0.07178 0.24647 -0.18836 -0.42184 130 2S 0.42476 -0.58116 0.53865 -0.46049 -0.93895 131 14 O 1S -0.00297 -0.02299 0.00500 -0.01920 -0.00776 132 2S 0.04305 -0.29799 0.06024 -0.28315 -0.12971 133 2PX -0.03735 0.02542 0.08456 -0.05189 0.12072 134 2PY -0.03794 -0.07937 0.03640 -0.00438 0.00850 135 2PZ 0.04516 -0.02413 -0.02023 0.02951 -0.01582 136 3S -0.19052 1.25544 -0.38094 1.24090 0.32566 137 3PX -0.02838 -0.01419 -0.13678 0.16234 -0.17820 138 3PY 0.01791 -0.23576 -0.02318 -0.24182 -0.15356 139 3PZ -0.03054 0.21749 -0.01085 0.08806 0.02611 140 4XX 0.07405 0.15548 -0.20181 0.01139 -0.06692 141 4YY -0.05045 -0.24677 0.06372 -0.08707 0.00155 142 4ZZ -0.01210 -0.09391 0.16200 -0.08732 -0.01137 143 4XY 0.03967 0.07643 0.16180 -0.10179 0.03946 144 4XZ 0.12254 0.23090 -0.05718 -0.03595 -0.20842 145 4YZ -0.05139 -0.14983 0.07817 0.06448 0.06960 146 15 C 1S -0.00089 -0.02226 0.02643 0.05515 -0.01156 147 2S 0.09757 -0.27831 0.27352 0.83304 -0.28238 148 2PX 0.04468 0.10598 -0.16612 0.11491 -0.11728 149 2PY -0.13436 -0.02279 -0.17312 0.07465 -0.23704 150 2PZ 0.07733 0.06291 0.03419 -0.02268 0.10429 151 3S -0.51283 2.72055 -4.75693 -6.81881 1.07380 152 3PX 0.17124 -0.41503 3.22099 3.02839 -0.12656 153 3PY 0.93470 -0.41635 2.55027 1.32114 2.00879 154 3PZ -0.72515 -1.08391 1.66438 2.91641 -1.05650 155 4XX 0.07615 0.08289 0.01456 -0.16963 -0.04519 156 4YY -0.12097 -0.06930 -0.05468 0.04257 -0.03723 157 4ZZ 0.02565 -0.05060 -0.00827 0.00538 0.06895 158 4XY 0.00545 -0.05649 -0.04973 -0.00575 0.05209 159 4XZ 0.10957 0.00624 0.01324 -0.01503 0.11550 160 4YZ 0.04463 -0.20091 -0.06913 -0.10899 0.04984 161 16 C 1S -0.00977 0.00968 -0.04087 -0.04471 -0.00772 162 2S -0.04054 0.16485 -0.73004 -0.84798 -0.03239 163 2PX 0.07537 0.05287 0.12947 0.02325 0.08648 164 2PY 0.06377 0.02578 0.04690 -0.02104 0.08881 165 2PZ 0.00060 -0.02181 0.08644 0.04153 0.04842 166 3S 1.29668 -1.74608 6.49319 6.25323 0.90929 167 3PX 0.00152 0.34313 -2.04991 -1.92431 0.50359 168 3PY 0.46131 -0.34884 1.39262 1.45746 0.38941 169 3PZ -0.14221 1.07665 -3.38684 -3.58416 -0.00552 170 4XX 0.00693 -0.03390 0.02686 0.02029 -0.00125 171 4YY 0.00264 0.20012 -0.02595 0.08424 -0.17647 172 4ZZ 0.01656 -0.23789 0.05909 -0.07505 0.14428 173 4XY -0.14055 -0.07119 -0.02918 0.11598 0.10972 174 4XZ 0.10439 0.11165 0.09637 -0.07301 -0.00108 175 4YZ 0.03355 0.07556 0.03832 0.02814 -0.04873 176 17 C 1S 0.00467 -0.01529 0.04237 0.04921 -0.00803 177 2S 0.18952 -0.27483 0.69079 0.65339 -0.04142 178 2PX -0.01168 -0.02336 -0.04727 0.03455 -0.02183 179 2PY 0.04379 0.00282 0.03549 0.05072 0.01088 180 2PZ -0.02281 0.00078 -0.07135 -0.00191 -0.05342 181 3S -0.64221 2.06933 -6.27552 -6.83813 0.70649 182 3PX -0.05991 0.43411 -1.26964 -1.38588 0.16923 183 3PY -0.53853 1.16375 -3.46164 -3.67358 0.30710 184 3PZ 0.27900 -0.45699 1.06268 1.19821 0.04375 185 4XX 0.05725 0.06985 0.05226 0.00345 -0.02283 186 4YY 0.03274 -0.04651 -0.02015 -0.16919 0.03110 187 4ZZ -0.07711 -0.01614 -0.08915 0.06335 -0.00325 188 4XY 0.05952 0.00513 0.10778 -0.06451 0.09359 189 4XZ -0.04652 0.08279 0.01529 0.14439 0.02410 190 4YZ 0.01961 0.00953 0.07263 0.06526 0.09619 191 18 C 1S -0.00506 0.01584 -0.03954 -0.04364 0.00374 192 2S -0.02860 0.13765 -0.63354 -0.87978 0.07889 193 2PX 0.00350 -0.01143 -0.00938 -0.03913 -0.00095 194 2PY -0.05464 -0.04550 -0.11020 -0.01670 -0.07828 195 2PZ 0.05042 0.01678 0.06411 -0.02812 0.07083 196 3S 0.56552 -2.16470 5.61914 6.77249 -0.95570 197 3PX 0.27310 -0.92561 2.57044 3.18858 -0.44399 198 3PY 0.16761 -0.60338 1.93227 2.23483 -0.29214 199 3PZ 0.18998 -0.69089 1.69884 2.16889 -0.30809 200 4XX 0.06866 0.01078 0.00190 -0.04430 -0.10787 201 4YY 0.02316 0.01336 0.13033 0.04785 0.12525 202 4ZZ -0.07633 -0.07681 -0.06666 0.03529 -0.05114 203 4XY 0.05412 0.01187 0.06314 -0.07494 0.07820 204 4XZ -0.04511 -0.01973 -0.09352 -0.09239 -0.03561 205 4YZ 0.02656 -0.12459 0.02367 -0.13801 0.01019 206 19 C 1S 0.00126 -0.01712 0.04038 0.05228 -0.01294 207 2S 0.05311 -0.33938 0.54056 0.70804 -0.28347 208 2PX 0.02910 -0.00540 0.03744 0.03321 0.00627 209 2PY 0.05463 0.02855 0.03785 -0.00648 0.05847 210 2PZ 0.00348 -0.00971 0.00150 0.06908 -0.06957 211 3S -0.45284 2.25815 -5.74299 -6.92073 1.10495 212 3PX -0.18162 0.63148 -1.41515 -1.67877 0.21661 213 3PY -0.05148 -0.70092 1.28229 1.80902 -0.55293 214 3PZ -0.19125 1.27185 -2.75376 -3.51984 0.78572 215 4XX -0.03162 0.02824 -0.08890 0.01757 -0.10482 216 4YY 0.01785 0.04462 0.07223 0.06632 0.11432 217 4ZZ 0.01612 -0.07564 -0.06256 -0.18693 -0.03344 218 4XY -0.03407 0.09083 0.02277 0.12712 0.00805 219 4XZ -0.04805 -0.04804 -0.10389 -0.07563 -0.01902 220 4YZ -0.07966 -0.02528 -0.05111 0.06727 -0.05658 221 20 C 1S -0.00126 0.01751 -0.03598 -0.04850 0.00965 222 2S -0.00995 0.16420 -0.53080 -0.82417 0.11926 223 2PX -0.05067 -0.03635 -0.06073 0.04776 -0.10511 224 2PY -0.00323 -0.05840 -0.04188 0.01929 -0.02966 225 2PZ -0.07022 -0.03332 -0.03321 0.03409 -0.04979 226 3S -0.21554 -2.39649 5.12387 7.43343 -2.06021 227 3PX -0.25617 0.27177 -1.31486 -1.18220 -0.06435 228 3PY -0.06988 1.38515 -3.20098 -4.01381 0.46927 229 3PZ -0.18391 -0.42165 0.90805 1.70088 -0.79745 230 4XX -0.06333 -0.04590 0.02733 0.03672 0.00943 231 4YY -0.00484 -0.25129 -0.01780 -0.14429 0.10161 232 4ZZ 0.08336 0.23381 0.05913 0.15730 -0.12434 233 4XY 0.04352 0.07874 -0.11081 -0.05470 -0.10547 234 4XZ -0.07147 -0.00747 0.01693 0.04680 0.14866 235 4YZ -0.09608 -0.03383 -0.02208 0.03689 -0.05831 236 21 H 1S -0.04157 0.05694 0.34664 0.44024 -0.00240 237 2S 0.03967 -0.40785 0.80146 0.96456 -0.07480 238 22 H 1S -0.04288 0.20519 -0.14746 -0.09850 0.09139 239 2S -0.03302 0.35057 -0.71763 -0.96390 0.22521 240 23 H 1S -0.00430 -0.02858 0.26861 0.48226 -0.03730 241 2S 0.09070 -0.29127 0.79879 0.96572 -0.14764 242 24 H 1S -0.11094 0.14744 -0.25540 -0.08166 0.00621 243 2S -0.13417 0.28155 -0.81598 -0.90925 0.06299 244 25 H 1S -0.09090 0.01954 0.31435 0.47819 -0.14526 245 2S -0.03344 -0.29372 0.83720 0.91267 0.02568 246 26 O 1S 0.00087 -0.00558 0.00624 -0.02284 0.00268 247 2S 0.14235 -0.13242 -0.06664 -0.29996 0.19439 248 2PX 0.06320 -0.01123 0.02553 0.08579 0.02032 249 2PY 0.02818 0.03126 -0.01599 -0.01203 -0.02846 250 2PZ -0.06808 0.06818 0.09996 0.00882 -0.11650 251 3S -0.39764 0.40912 -0.15095 1.20826 -0.54462 252 3PX -0.15532 -0.00362 0.04137 -0.37018 -0.04700 253 3PY -0.09188 -0.08521 -0.01967 0.16359 0.09926 254 3PZ 0.24650 -0.25519 -0.07424 -0.20588 0.27712 255 4XX 0.04252 -0.16557 0.04860 -0.09310 0.17633 256 4YY -0.05532 -0.06235 0.00602 -0.04017 0.07587 257 4ZZ 0.08242 0.14725 -0.08746 -0.07012 -0.15571 258 4XY 0.10924 0.23515 0.23495 -0.05246 0.13825 259 4XZ -0.00785 -0.02007 -0.01380 0.02248 0.04142 260 4YZ -0.04052 0.02855 -0.18569 0.04479 -0.11439 261 27 H 1S -0.10100 0.00205 0.03493 -0.16371 0.01729 262 2S -0.04357 -0.05630 0.02776 -0.02545 -0.02651 263 28 H 1S -0.02158 -0.10663 -0.00768 0.09639 0.35016 264 2S -0.12600 -0.21395 0.05349 0.00755 0.42015 191 192 193 194 195 V V V V V Eigenvalues -- 2.21553 2.22907 2.24766 2.26086 2.29644 1 1 C 1S -0.00805 -0.04418 -0.00954 -0.08015 0.01345 2 2S -0.10918 -0.33961 -0.01693 -1.13442 -0.16363 3 2PX 0.05165 -0.11136 -0.17369 -0.05370 -0.03768 4 2PY 0.06150 -0.02133 -0.05148 0.04151 -0.04597 5 2PZ 0.02526 -0.13336 -0.06545 0.01263 0.12673 6 3S 0.27054 1.49876 -0.00851 5.26439 -0.27008 7 3PX 0.17951 0.24603 0.00486 0.03058 0.11826 8 3PY 0.03876 0.33781 0.63525 -0.65097 -0.13687 9 3PZ -0.05622 -0.07553 -0.37057 -0.82440 -0.08582 10 4XX -0.28064 -0.20287 -0.12230 0.01303 0.18702 11 4YY 0.28568 0.10632 0.03338 -0.06135 -0.13652 12 4ZZ -0.00167 0.09308 0.06693 0.08644 -0.01308 13 4XY 0.32934 -0.00048 0.03229 -0.09383 0.08442 14 4XZ 0.08318 0.08112 -0.04217 0.08331 -0.15430 15 4YZ 0.08663 -0.22046 -0.13284 -0.13467 -0.04497 16 2 C 1S 0.01421 0.01211 -0.01710 -0.00468 0.01236 17 2S 0.05458 0.14215 -0.56822 -0.01852 -0.11074 18 2PX -0.14396 0.01440 0.00213 0.01435 0.03856 19 2PY 0.03872 0.00533 0.15677 0.01244 0.06120 20 2PZ 0.02682 -0.00472 -0.07044 0.01213 -0.08429 21 3S -2.69727 -1.96172 1.90178 0.64894 -0.87820 22 3PX 0.11328 -0.00353 1.00294 1.22791 -0.74600 23 3PY -1.48325 -1.75145 -2.75895 0.45803 0.13105 24 3PZ 0.99541 0.65784 0.61240 -1.29061 0.44231 25 4XX -0.01811 -0.09839 0.00596 -0.09499 0.09370 26 4YY -0.04331 0.07517 0.02766 0.12888 -0.06499 27 4ZZ 0.13209 0.04751 0.04389 -0.09197 -0.10604 28 4XY -0.03753 0.04816 -0.03491 0.02428 -0.04286 29 4XZ 0.08349 0.18113 0.00484 0.05513 -0.19160 30 4YZ 0.21801 0.14686 0.15332 -0.11104 -0.08734 31 3 C 1S 0.02267 -0.00078 0.00338 -0.00894 -0.02027 32 2S 0.18489 0.14493 -0.17487 -0.11456 -0.32229 33 2PX 0.05467 -0.02281 -0.19704 -0.13643 -0.00406 34 2PY -0.06854 -0.17308 0.12616 0.07586 -0.24478 35 2PZ 0.01255 0.06657 0.08648 0.02947 0.05862 36 3S -3.09232 -0.62944 0.90745 1.70861 1.75689 37 3PX -1.20989 1.17737 3.60991 1.62231 0.08142 38 3PY 2.34345 1.72605 -1.63978 -1.61190 1.22879 39 3PZ -0.28038 -1.00690 -1.21068 -0.10447 -0.42563 40 4XX 0.06395 0.06759 0.09155 0.02478 -0.02524 41 4YY -0.05301 -0.08444 -0.01853 -0.03066 0.19507 42 4ZZ -0.02122 0.07451 -0.01912 0.05081 -0.12779 43 4XY 0.00945 0.05099 -0.10998 -0.00767 -0.17829 44 4XZ 0.03684 0.03507 -0.00768 -0.06160 -0.01908 45 4YZ -0.07137 -0.01519 0.02364 0.07043 -0.04051 46 4 C 1S -0.01754 0.00761 0.02776 0.01801 0.00893 47 2S -0.38774 0.06627 0.18611 0.20286 0.30203 48 2PX 0.00320 0.15808 -0.05388 0.00434 -0.04974 49 2PY 0.02540 -0.02349 0.06579 0.06045 -0.15041 50 2PZ -0.01727 -0.06910 0.00645 -0.01168 0.06378 51 3S 2.56230 -1.74032 -3.23883 -1.86350 -1.64247 52 3PX 0.21507 0.34302 0.61498 0.38973 0.60986 53 3PY -2.01464 0.27697 1.94411 1.11386 0.40068 54 3PZ 0.44420 -0.16785 -0.71109 -0.45302 -0.32656 55 4XX 0.00627 -0.03876 0.01869 -0.01987 0.06058 56 4YY -0.05975 0.05456 -0.03348 0.06715 -0.13636 57 4ZZ 0.07067 -0.03674 0.00194 -0.05262 0.07736 58 4XY -0.03954 -0.06125 0.03473 0.01456 -0.11342 59 4XZ -0.01158 0.00411 0.04284 -0.01715 0.00935 60 4YZ -0.00630 -0.01114 0.05471 -0.02522 0.06438 61 5 C 1S 0.02181 -0.01094 -0.00038 -0.00526 -0.00006 62 2S 0.34592 -0.13300 -0.08493 -0.14593 -0.18586 63 2PX -0.03855 0.10411 -0.18138 -0.01015 0.03396 64 2PY -0.02250 -0.06134 0.10291 0.01917 -0.00203 65 2PZ 0.02046 -0.02979 0.05386 0.00550 -0.01455 66 3S -3.30987 0.70055 1.99613 1.60162 0.56655 67 3PX 1.62624 -0.39705 -1.07081 -0.81723 -0.75879 68 3PY 0.54751 0.04935 -0.73993 -0.57983 -0.32372 69 3PZ -0.81545 0.14136 0.60586 0.46649 0.38651 70 4XX -0.04750 0.14453 -0.17715 0.01450 -0.18086 71 4YY 0.01740 -0.10597 0.09374 -0.02426 0.06752 72 4ZZ -0.01231 -0.03227 0.13408 0.06111 0.07275 73 4XY -0.08292 0.07257 -0.18110 0.00579 -0.02582 74 4XZ 0.04470 -0.11498 0.23989 0.05958 0.17735 75 4YZ 0.02107 -0.02627 0.12237 0.02954 0.01936 76 6 C 1S -0.02064 -0.00597 0.03066 0.02083 0.00769 77 2S -0.36948 0.08621 0.29520 0.27765 0.22318 78 2PX 0.00213 -0.01318 -0.10392 -0.03615 -0.16800 79 2PY -0.02161 -0.04736 0.09762 0.06540 -0.07907 80 2PZ -0.00369 0.01266 0.02232 0.00892 0.08390 81 3S 3.10579 0.07663 -2.56740 -1.98457 -1.11667 82 3PX -1.51491 0.20368 0.72128 0.70407 0.71532 83 3PY 1.35038 -0.28302 -0.70639 -0.78814 -0.06654 84 3PZ 0.37173 -0.01508 -0.14678 -0.15268 -0.28262 85 4XX 0.02546 0.10156 -0.15334 -0.04089 -0.16527 86 4YY -0.03349 0.02138 -0.14043 -0.07290 0.11812 87 4ZZ 0.04082 -0.09207 0.26455 0.11656 0.04548 88 4XY 0.05637 -0.23446 0.41840 0.09628 0.03372 89 4XZ -0.01045 -0.05237 0.10589 0.07833 0.11514 90 4YZ -0.00626 0.07143 -0.06273 0.00601 -0.03247 91 7 C 1S 0.02505 -0.00261 0.00336 -0.00074 -0.01114 92 2S 0.33222 0.03477 -0.09958 -0.03770 -0.04099 93 2PX -0.01374 0.07288 -0.14795 -0.04013 0.00044 94 2PY -0.01013 -0.07169 0.12246 0.08704 -0.01458 95 2PZ 0.00434 -0.01814 0.03622 -0.00418 0.00665 96 3S -3.54991 0.22731 1.84741 1.57243 0.76171 97 3PX -0.04849 -0.37913 0.41796 0.18577 0.23469 98 3PY -2.09760 -0.19306 1.15122 1.01987 0.14630 99 3PZ 0.43930 0.19159 -0.42419 -0.24913 -0.15326 100 4XX 0.01299 -0.14916 0.14595 0.02547 -0.11650 101 4YY -0.02989 0.22761 -0.30768 -0.12784 0.25218 102 4ZZ -0.03527 -0.07268 0.19179 0.14920 -0.09647 103 4XY 0.03718 0.03315 -0.01321 0.00567 -0.12009 104 4XZ -0.02737 0.02802 0.03442 0.05825 0.05445 105 4YZ -0.00334 -0.07840 0.11903 0.09189 -0.02040 106 8 C 1S -0.02663 -0.00817 0.01974 0.01957 -0.00731 107 2S -0.36370 0.04500 0.21586 0.28383 -0.23375 108 2PX -0.04364 0.01099 -0.03846 0.03216 -0.21505 109 2PY 0.07261 0.00214 0.13375 0.04252 -0.11265 110 2PZ -0.00593 -0.00921 -0.01282 -0.00988 0.09685 111 3S 4.15243 1.29974 -1.64541 -2.24312 0.64558 112 3PX 2.12012 -0.06184 -1.68801 -1.30248 0.08483 113 3PY 0.74800 0.97232 -0.48572 -0.64033 0.17276 114 3PZ -0.97462 -0.13674 0.82768 0.57712 -0.00230 115 4XX 0.02792 0.08156 -0.04930 -0.07528 0.24769 116 4YY 0.05198 -0.09499 0.00664 -0.04162 -0.14849 117 4ZZ -0.01759 0.04193 0.07620 0.12340 -0.14638 118 4XY 0.03151 0.00722 -0.01891 -0.03343 0.14066 119 4XZ -0.00074 -0.01296 0.02719 0.09220 -0.28585 120 4YZ 0.00771 0.03965 -0.02695 0.02097 -0.08199 121 9 H 1S 0.16506 -0.12437 -0.18633 -0.05518 -0.42928 122 2S 0.51126 0.12728 -0.55215 -0.38143 0.21316 123 10 H 1S -0.12543 -0.27447 0.37102 0.20822 -0.17760 124 2S -0.45115 -0.05557 0.22816 0.20304 0.06713 125 11 H 1S 0.19500 -0.30111 0.43483 0.07132 0.05642 126 2S 0.45097 -0.05673 -0.25569 -0.23912 -0.15950 127 12 H 1S -0.02011 -0.15449 0.42004 0.10278 0.30408 128 2S -0.42295 0.10532 0.24088 0.24417 0.19279 129 13 H 1S 0.23966 -0.02020 -0.13249 -0.16930 0.15243 130 2S 0.48454 0.04725 -0.47499 -0.25405 -0.06033 131 14 O 1S -0.04902 -0.04085 -0.03361 0.02139 -0.00640 132 2S -0.75246 -0.56120 -0.48577 0.35792 -0.00605 133 2PX 0.02105 -0.00485 -0.02098 -0.02888 -0.01859 134 2PY -0.02426 -0.02356 -0.04780 0.02496 -0.01761 135 2PZ 0.02711 -0.03886 -0.01843 -0.03960 0.01389 136 3S 3.05949 2.53817 2.11208 -1.44237 0.23717 137 3PX -0.09545 -0.02125 -0.06390 -0.08554 0.11403 138 3PY -0.74575 -0.52621 -0.32513 0.41706 -0.06396 139 3PZ 0.41038 0.44468 0.36153 -0.08012 -0.02604 140 4XX 0.00363 -0.27535 -0.01600 -0.11745 -0.25714 141 4YY -0.17216 -0.09219 -0.14055 0.16011 0.02378 142 4ZZ -0.25750 0.01499 -0.12064 0.12634 0.20184 143 4XY 0.09851 0.17653 -0.04190 -0.03918 0.24679 144 4XZ 0.22235 0.39271 0.05113 0.10296 0.32384 145 4YZ 0.07867 0.11345 0.06620 -0.02259 0.07671 146 15 C 1S -0.00529 0.00312 0.01272 -0.00311 0.00185 147 2S -0.48398 0.22393 0.40872 -0.18178 0.04019 148 2PX -0.13592 0.04947 0.07883 0.19053 0.00407 149 2PY -0.09198 -0.00753 0.05797 0.15547 0.00582 150 2PZ 0.02028 0.09220 0.00660 0.13721 -0.05566 151 3S 1.44176 -0.38673 -1.40991 1.71449 -0.18880 152 3PX -0.34579 -0.67843 -0.21874 -2.83480 0.15888 153 3PY 0.74860 -0.35650 -0.43090 -2.14031 0.11579 154 3PZ -0.65625 -0.29536 0.54571 -1.68264 0.13417 155 4XX 0.00068 -0.05589 -0.10189 0.04321 -0.03745 156 4YY -0.03478 0.06076 0.03301 0.06739 -0.02440 157 4ZZ 0.03597 0.00322 0.04159 -0.04395 0.07118 158 4XY 0.07328 -0.07678 -0.07015 0.05394 0.04061 159 4XZ 0.17140 -0.12831 -0.09113 -0.04145 0.05873 160 4YZ 0.00275 -0.03820 -0.03598 0.06100 0.06875 161 16 C 1S 0.00255 0.00164 -0.00577 0.02723 0.00119 162 2S 0.05628 0.03122 -0.03189 0.22798 0.05837 163 2PX 0.03545 -0.00904 -0.06562 0.07719 0.01697 164 2PY 0.08781 -0.07755 -0.07499 0.02773 0.06558 165 2PZ -0.02353 0.02783 -0.02051 0.06592 -0.04551 166 3S -0.16688 -0.44215 -0.06243 -2.92950 0.02933 167 3PX 0.43193 0.26776 0.21413 0.55007 -0.04797 168 3PY -0.06329 0.10737 0.23477 -1.10559 -0.01197 169 3PZ 0.43671 0.21636 -0.13255 1.54788 0.03101 170 4XX -0.00787 -0.00637 0.00642 0.00668 0.02299 171 4YY -0.04504 -0.07563 -0.05088 -0.00359 0.02753 172 4ZZ 0.04716 0.04390 0.02330 -0.03170 -0.04652 173 4XY 0.11167 0.00292 0.05986 -0.00328 -0.00240 174 4XZ -0.08568 -0.00749 -0.05933 -0.06639 -0.00602 175 4YZ -0.02556 0.00890 0.00407 0.03862 0.06051 176 17 C 1S -0.00274 -0.00382 -0.00269 0.00194 0.00304 177 2S -0.12955 0.05510 0.01436 -0.02032 0.00839 178 2PX 0.08416 -0.05288 -0.04725 0.09813 0.00322 179 2PY 0.02407 0.00586 -0.03406 0.15049 0.01973 180 2PZ 0.06820 -0.06972 -0.04178 0.01438 -0.00427 181 3S 0.75380 0.37494 -0.03722 1.83746 -0.20169 182 3PX 0.11733 0.18727 0.07333 0.28732 0.07783 183 3PY 0.54320 -0.00104 -0.19902 1.18737 0.05486 184 3PZ -0.25097 0.22747 0.30986 -0.60644 0.03868 185 4XX -0.00319 -0.01198 -0.09470 0.20300 0.06203 186 4YY -0.17188 0.11940 0.11563 -0.22076 -0.09571 187 4ZZ 0.14898 -0.06764 -0.01811 0.09055 0.01176 188 4XY -0.08909 0.12307 0.07954 -0.16080 -0.08304 189 4XZ 0.07385 -0.06754 -0.01875 -0.03193 0.02590 190 4YZ 0.06125 0.00799 -0.05453 0.24063 0.05692 191 18 C 1S 0.00904 -0.00201 -0.00884 0.03194 -0.00029 192 2S 0.01705 0.03803 -0.08126 0.36688 0.02482 193 2PX 0.01556 -0.02811 -0.05554 0.10692 0.02368 194 2PY 0.02824 -0.04866 -0.01736 0.07487 0.06440 195 2PZ 0.01437 0.01517 -0.03592 0.07024 -0.02603 196 3S -1.14103 0.09577 0.79292 -2.62002 0.00240 197 3PX -0.23878 -0.13397 0.12740 -0.85259 0.07015 198 3PY -0.30280 -0.04362 0.10148 -0.58481 -0.14304 199 3PZ -0.05749 -0.14255 0.04841 -0.57926 0.16779 200 4XX -0.19323 0.05643 0.05392 -0.07903 0.02189 201 4YY 0.03782 0.04879 -0.02254 0.09833 -0.02996 202 4ZZ 0.09553 -0.07302 -0.01209 -0.02424 0.00687 203 4XY -0.17495 0.17289 0.15209 -0.22471 -0.05093 204 4XZ -0.09506 0.05497 0.14725 -0.34818 -0.03843 205 4YZ -0.14558 0.14801 0.11067 -0.08412 -0.06194 206 19 C 1S -0.00713 -0.00126 -0.00109 0.00313 -0.00196 207 2S -0.15684 -0.00143 0.05639 -0.10349 -0.01694 208 2PX 0.06806 -0.00486 -0.03344 0.13206 -0.00527 209 2PY 0.01862 0.00846 -0.03375 0.11851 0.03677 210 2PZ 0.00970 -0.04419 -0.02814 0.07306 -0.01711 211 3S 0.71380 0.46635 -0.04571 2.03172 -0.08250 212 3PX 0.01521 0.07605 0.03891 0.29120 -0.15608 213 3PY -0.57676 0.14356 0.48746 -0.82597 -0.08486 214 3PZ 0.65766 0.09578 -0.24734 0.98846 -0.15197 215 4XX -0.04788 -0.11460 -0.07854 0.05766 0.03753 216 4YY 0.10230 0.01838 -0.01196 0.06934 -0.06799 217 4ZZ -0.07992 0.10865 0.09593 -0.06635 0.02574 218 4XY 0.13282 -0.09177 -0.06142 -0.03733 0.00359 219 4XZ -0.03481 0.02636 0.09281 -0.20884 0.07951 220 4YZ 0.18990 -0.10272 -0.07312 0.08819 -0.05497 221 20 C 1S 0.00798 0.00171 -0.00625 0.02234 -0.00526 222 2S -0.14145 0.11240 -0.02738 0.36408 -0.14451 223 2PX 0.00047 -0.11480 -0.07182 0.05328 0.02355 224 2PY 0.05631 -0.07562 -0.02839 -0.00621 0.08566 225 2PZ 0.03611 -0.02808 -0.03811 0.05974 -0.02601 226 3S -1.06285 -0.44853 0.67403 -2.52110 0.49245 227 3PX -0.01318 0.48744 0.52494 0.53378 -0.15330 228 3PY 0.40785 0.32630 -0.20774 1.79135 -0.18987 229 3PZ -0.78877 0.06991 0.56280 -0.74991 0.03475 230 4XX 0.03205 0.05297 0.02152 0.01321 -0.06352 231 4YY 0.05715 0.01353 0.00715 0.05901 0.06209 232 4ZZ -0.13159 -0.03938 -0.03006 -0.02952 0.00954 233 4XY -0.06123 -0.11046 -0.05771 -0.07509 0.17063 234 4XZ 0.17297 -0.02113 -0.00137 -0.05561 -0.05234 235 4YZ -0.01076 0.03130 0.01808 -0.00301 -0.08014 236 21 H 1S -0.00002 0.01599 0.01338 -0.20035 -0.15125 237 2S -0.16486 -0.10552 0.05756 -0.44936 0.08912 238 22 H 1S 0.28014 -0.16515 -0.20319 0.23514 -0.09511 239 2S 0.16531 0.01477 -0.08531 0.23401 -0.02525 240 23 H 1S 0.26694 -0.22905 -0.23653 0.31651 0.07633 241 2S -0.09831 -0.01296 0.05958 -0.29004 0.00286 242 24 H 1S 0.23499 -0.15476 -0.17013 0.40930 0.13644 243 2S 0.10633 0.00388 -0.05063 0.24136 0.00252 244 25 H 1S -0.05568 -0.03322 0.03992 -0.10353 0.05982 245 2S -0.16924 -0.05360 0.05270 -0.42394 -0.05950 246 26 O 1S 0.00575 0.01749 -0.00228 0.02046 -0.00482 247 2S 0.18592 0.00266 -0.09341 0.03416 0.09555 248 2PX 0.00023 0.07550 0.06851 0.02567 0.01931 249 2PY 0.04031 -0.03048 -0.01507 -0.03114 -0.01049 250 2PZ -0.08204 0.09989 0.02061 0.11022 -0.07401 251 3S -0.41718 -0.34418 0.36730 -0.75010 -0.10244 252 3PX -0.01665 -0.12560 -0.25387 0.08872 -0.09459 253 3PY -0.11635 -0.11267 0.00923 -0.11227 0.05961 254 3PZ 0.16827 0.09992 -0.00416 0.24193 0.14861 255 4XX 0.06045 0.23688 0.04922 0.25514 -0.04312 256 4YY 0.06077 -0.21567 -0.09474 -0.23174 0.08313 257 4ZZ -0.01726 0.02867 0.00424 0.04494 -0.01867 258 4XY -0.18602 -0.03309 -0.15051 0.08283 -0.00609 259 4XZ 0.05678 0.12635 0.05649 0.06053 -0.06944 260 4YZ 0.04442 -0.11369 -0.00545 -0.12850 -0.00297 261 27 H 1S 0.06241 -0.02742 -0.09353 -0.04089 -0.06621 262 2S -0.00493 -0.02251 -0.01758 0.01726 0.01005 263 28 H 1S -0.04301 -0.19089 -0.02946 -0.25807 0.15638 264 2S 0.05737 -0.11743 -0.02847 -0.13266 0.00596 196 197 198 199 200 V V V V V Eigenvalues -- 2.30200 2.31569 2.33202 2.36057 2.37884 1 1 C 1S 0.00512 -0.00659 0.01872 -0.04182 -0.00241 2 2S -0.09249 -0.23015 0.15438 -0.24426 -0.24127 3 2PX -0.04917 -0.03992 -0.07344 0.00629 -0.02087 4 2PY -0.01600 -0.03248 -0.00943 -0.05666 0.00095 5 2PZ 0.01542 0.07066 -0.05094 0.03436 0.05010 6 3S 0.51199 0.28630 -0.45126 1.55686 0.90881 7 3PX -0.33509 0.06196 -0.65035 -0.30799 -0.04701 8 3PY -0.03420 0.02454 0.64068 -0.11928 -0.35980 9 3PZ 0.10507 -0.25536 0.19665 -0.17193 -0.16496 10 4XX -0.10844 0.09194 -0.22919 0.04978 0.01114 11 4YY 0.00194 -0.01405 0.16928 0.17161 -0.01848 12 4ZZ 0.08617 -0.04495 0.04427 -0.17821 0.04939 13 4XY 0.04831 0.07591 0.13196 0.01123 0.05533 14 4XZ 0.07101 -0.11471 0.03924 -0.12323 0.02295 15 4YZ -0.14187 -0.02174 -0.10366 0.07882 0.02034 16 2 C 1S -0.00606 0.01356 -0.00894 -0.00728 -0.00537 17 2S -0.12069 -0.09863 -0.06977 0.03503 -0.04620 18 2PX -0.01987 0.08871 -0.05819 0.06406 -0.01561 19 2PY -0.03221 0.05963 -0.04765 0.01383 0.01042 20 2PZ 0.01158 -0.06607 -0.02011 -0.04054 0.00092 21 3S 0.93175 -0.52342 0.70293 0.02436 0.31684 22 3PX 0.12545 -0.14087 0.17165 0.06744 0.22487 23 3PY -0.53435 -0.27637 -1.59655 0.12414 0.18942 24 3PZ 0.23100 0.24232 0.90098 -0.11739 -0.16435 25 4XX 0.24299 0.02596 0.37446 -0.11276 -0.01205 26 4YY -0.11039 -0.03511 -0.19288 0.16294 0.01443 27 4ZZ -0.09024 0.00119 -0.12241 -0.10708 -0.04075 28 4XY 0.07267 -0.01630 0.10412 0.02970 -0.08633 29 4XZ 0.08373 -0.07016 0.15730 0.07014 -0.12496 30 4YZ -0.01092 0.00690 0.06000 -0.20081 -0.04596 31 3 C 1S -0.00387 -0.00821 0.00308 -0.01520 -0.00004 32 2S -0.01283 -0.16072 0.07363 -0.09231 -0.36921 33 2PX -0.09862 0.09005 0.02156 -0.13679 -0.10287 34 2PY 0.04361 0.04750 0.12121 -0.11296 0.08518 35 2PZ 0.00009 -0.03785 -0.08200 0.04801 0.03786 36 3S 0.49455 0.79879 -0.60749 1.17328 0.51713 37 3PX 0.94777 -0.10159 0.62431 0.98283 0.34085 38 3PY -0.89468 -0.21375 -0.99444 0.12943 -0.44024 39 3PZ -0.41366 0.04348 -0.49163 -0.52795 -0.01576 40 4XX -0.05762 -0.02782 -0.13870 0.16386 -0.03738 41 4YY 0.04894 0.11001 0.11928 -0.17994 0.04801 42 4ZZ 0.00623 -0.05945 0.02221 0.04357 -0.09022 43 4XY 0.02466 -0.08161 0.08650 0.07668 -0.05006 44 4XZ 0.00212 0.01787 0.03054 -0.20661 -0.02884 45 4YZ 0.02780 -0.02748 0.04326 0.08646 -0.07042 46 4 C 1S 0.01058 -0.00426 0.00489 0.00430 0.00421 47 2S 0.18030 0.09795 0.12864 -0.17070 0.23058 48 2PX -0.02853 0.11089 0.05866 0.04942 0.07391 49 2PY -0.07089 -0.01614 -0.05824 0.18184 -0.15944 50 2PZ 0.01776 -0.03862 -0.02487 -0.05724 0.01218 51 3S -1.11146 -0.49004 -0.60572 -1.09529 -0.46727 52 3PX 0.03079 -0.22401 -0.35954 0.42609 -0.10638 53 3PY 0.67057 0.71833 0.81839 0.18840 0.24421 54 3PZ -0.05600 -0.06859 0.14863 -0.17147 -0.01839 55 4XX -0.00201 -0.13579 -0.16213 -0.02817 0.13977 56 4YY -0.21508 0.32793 -0.01068 -0.01053 -0.21396 57 4ZZ 0.20886 -0.14888 0.20522 -0.06640 0.12018 58 4XY -0.04315 -0.00390 -0.08298 -0.01401 0.17470 59 4XZ 0.00300 -0.02056 -0.00961 -0.16235 -0.04045 60 4YZ 0.03061 -0.13096 -0.08021 -0.12049 -0.00338 61 5 C 1S 0.00360 -0.01257 -0.00024 -0.00579 0.00257 62 2S 0.06618 -0.32816 -0.04633 0.04845 0.09380 63 2PX -0.07276 0.13000 0.00761 -0.05489 -0.06084 64 2PY -0.03083 0.16619 0.07253 -0.13273 -0.01725 65 2PZ 0.04759 -0.09332 -0.00735 0.05794 0.02727 66 3S 0.47661 1.42524 0.87582 0.60112 -0.02347 67 3PX -0.37845 -0.37605 -0.18761 -0.43011 0.04107 68 3PY 0.05635 -0.35679 0.09866 -0.21130 -0.06117 69 3PZ 0.13037 0.23943 0.05551 0.23848 -0.01781 70 4XX -0.11006 0.15488 0.04964 0.03902 -0.17110 71 4YY 0.02313 -0.07305 -0.09085 -0.06266 0.16496 72 4ZZ 0.10485 -0.08758 0.06271 0.07712 0.04422 73 4XY -0.06224 0.23456 0.07019 -0.21057 0.21196 74 4XZ 0.13923 -0.21904 -0.07960 0.07201 0.10845 75 4YZ 0.00261 -0.12413 -0.11337 0.06639 -0.09478 76 6 C 1S 0.00675 0.00479 0.00389 0.01015 0.00253 77 2S 0.07504 0.10893 0.06263 0.22355 -0.25733 78 2PX -0.03041 0.01468 0.01372 -0.05834 0.13701 79 2PY -0.03881 0.07818 0.04644 0.03922 -0.15686 80 2PZ 0.01446 -0.02215 -0.03036 0.01085 -0.02226 81 3S -0.71796 -0.67713 -0.24574 -1.09820 0.24681 82 3PX 0.46715 0.13041 0.14745 0.42107 -0.04503 83 3PY -0.05749 -0.45706 -0.20675 -0.59945 0.15248 84 3PZ -0.20897 0.04004 -0.07520 -0.10175 0.00153 85 4XX 0.02940 -0.16989 0.02257 0.21695 -0.01872 86 4YY -0.02353 0.15535 0.03856 -0.26902 0.06251 87 4ZZ -0.00877 0.00854 -0.05013 0.06662 -0.10093 88 4XY -0.01367 -0.00367 -0.05313 0.04742 -0.18236 89 4XZ 0.06889 0.09486 0.13787 -0.00840 -0.02486 90 4YZ -0.03723 -0.02395 -0.08692 -0.00264 0.05435 91 7 C 1S -0.00862 0.00544 0.00076 -0.00137 0.00128 92 2S -0.12630 0.20472 0.01287 -0.23215 0.20017 93 2PX -0.02861 0.12107 0.08446 -0.06583 0.00468 94 2PY -0.03887 0.15884 0.03762 -0.11644 0.13091 95 2PZ 0.03270 -0.08676 -0.02562 0.05383 -0.02888 96 3S 1.12849 -0.42004 0.20449 1.35297 -0.05491 97 3PX 0.20009 -0.04875 -0.11325 0.02326 0.07338 98 3PY 0.48472 0.23386 0.21524 0.65836 -0.15999 99 3PZ -0.20659 -0.02447 -0.02406 -0.12471 0.00483 100 4XX -0.02954 0.14206 0.13053 -0.08165 0.02965 101 4YY 0.15140 -0.29700 -0.10787 0.10534 -0.07870 102 4ZZ -0.09225 0.16718 -0.00940 -0.03726 0.11906 103 4XY 0.03621 -0.17316 -0.05246 0.14017 0.21097 104 4XZ 0.02501 0.07457 0.09771 0.06077 -0.04145 105 4YZ -0.07194 0.19520 0.05488 -0.07419 -0.02404 106 8 C 1S 0.00222 0.00624 0.00669 0.00809 0.00348 107 2S -0.00226 -0.06933 -0.00682 0.33280 0.11333 108 2PX -0.01496 -0.04864 -0.03816 0.14358 0.08579 109 2PY -0.06662 0.11262 -0.02761 0.01741 -0.09335 110 2PZ 0.01290 -0.00160 0.02448 -0.04769 -0.03151 111 3S -0.71963 -0.25537 -0.68196 -0.94957 -0.40368 112 3PX -0.79127 0.19203 0.02742 -0.94557 -0.22126 113 3PY -0.23392 -0.42871 -0.01230 0.00725 0.06751 114 3PZ 0.50728 0.01011 0.21427 0.43543 0.05570 115 4XX 0.13369 -0.15522 0.00545 0.13836 -0.23375 116 4YY 0.02653 0.06624 0.17243 -0.10202 0.15784 117 4ZZ -0.16133 0.02969 -0.21889 0.01610 0.09677 118 4XY 0.13207 -0.09112 0.05215 -0.02037 0.12909 119 4XZ -0.08014 0.13002 0.13857 0.06498 0.07183 120 4YZ 0.05187 0.03151 0.21401 0.17148 -0.13101 121 9 H 1S -0.20765 0.26558 0.10674 -0.10742 0.05215 122 2S -0.40071 -0.17399 0.08781 -0.19367 -0.03488 123 10 H 1S -0.12397 0.39365 0.13958 -0.11578 0.01615 124 2S 0.15438 0.02114 0.02188 0.14632 -0.03996 125 11 H 1S -0.02140 0.02270 -0.04478 -0.01925 -0.16964 126 2S -0.08658 -0.09609 -0.05683 -0.16920 0.05598 127 12 H 1S 0.17793 -0.31973 -0.15889 0.17276 0.04580 128 2S 0.03474 0.16328 0.01605 0.11218 -0.01099 129 13 H 1S 0.13320 -0.39433 -0.11037 -0.04916 0.13600 130 2S -0.19004 -0.05641 -0.15637 0.00058 -0.05750 131 14 O 1S -0.00666 -0.00994 -0.02859 0.00536 0.00335 132 2S -0.05262 -0.02904 -0.28511 -0.02939 0.10335 133 2PX -0.03341 0.02598 -0.04195 -0.03001 0.01197 134 2PY -0.06008 -0.03149 -0.11238 0.14092 0.00496 135 2PZ 0.05306 0.01208 0.05839 -0.07034 -0.00825 136 3S 0.32772 0.41252 1.61259 -0.18631 -0.38317 137 3PX 0.04754 -0.02615 0.05436 0.04417 -0.04632 138 3PY -0.03519 -0.08418 -0.31474 -0.00238 0.09528 139 3PZ -0.00719 0.04881 0.18408 -0.01468 -0.04387 140 4XX -0.11606 -0.19069 -0.29382 -0.16929 -0.06187 141 4YY 0.03990 0.00932 -0.00205 0.08591 0.05375 142 4ZZ 0.05964 0.13577 0.14461 0.03033 0.03803 143 4XY -0.21520 0.18820 -0.22594 -0.00220 0.06393 144 4XZ -0.09192 0.25042 -0.12703 0.05043 0.08115 145 4YZ 0.10585 0.05479 0.21267 0.02842 0.00548 146 15 C 1S -0.01520 0.01094 -0.01023 0.01870 0.00621 147 2S -0.03544 0.09279 0.04364 0.08891 -0.32495 148 2PX 0.12250 -0.02357 0.11305 0.02220 0.12425 149 2PY -0.05762 -0.09671 0.16696 -0.06073 0.07418 150 2PZ 0.14389 0.04089 -0.03206 0.11062 0.10647 151 3S 1.30292 -0.85525 0.69995 -0.92252 -0.05628 152 3PX -1.15593 0.16767 -0.57941 -0.41940 -0.57785 153 3PY -0.37089 0.50292 -1.21207 0.07373 -0.17426 154 3PZ -1.13036 -0.14459 0.05513 -0.81446 -0.43836 155 4XX -0.01690 -0.01098 -0.01871 0.04483 -0.02256 156 4YY 0.00796 -0.06860 -0.10646 -0.21189 -0.03142 157 4ZZ 0.00670 0.10240 0.07503 0.16970 -0.04076 158 4XY 0.08200 -0.06709 -0.01320 -0.25273 0.05688 159 4XZ 0.06897 0.05274 0.10599 0.06117 0.04801 160 4YZ 0.02459 0.03086 -0.03082 -0.04121 -0.03386 161 16 C 1S 0.00068 -0.00701 0.00985 0.00634 0.00363 162 2S 0.03659 -0.03014 0.23406 0.34608 0.20189 163 2PX -0.03775 -0.04853 -0.02967 -0.07724 -0.11750 164 2PY -0.13784 -0.00756 0.07751 0.10447 -0.04601 165 2PZ 0.09681 -0.02735 -0.10601 -0.20694 -0.12019 166 3S -1.08882 0.80108 -1.58495 -0.15818 -0.32124 167 3PX 0.80622 0.19900 0.11144 0.37087 0.33685 168 3PY -0.20752 0.27342 -0.52795 0.14968 0.21969 169 3PZ 1.04670 -0.03375 0.55084 0.47478 0.20341 170 4XX -0.08007 0.02685 0.03956 0.10348 -0.07573 171 4YY -0.08471 -0.04555 0.07641 0.02247 0.18128 172 4ZZ 0.17076 0.09012 -0.12158 -0.02658 -0.06136 173 4XY -0.10536 -0.08238 0.03045 -0.06998 0.02632 174 4XZ 0.25433 0.10562 -0.15988 -0.11903 -0.28388 175 4YZ -0.21890 -0.03229 0.13196 0.17448 -0.10590 176 17 C 1S -0.01617 0.00002 0.00017 0.00514 0.00182 177 2S -0.26011 -0.10150 -0.01116 -0.10813 0.16915 178 2PX 0.03920 0.02066 0.01076 0.01673 0.05300 179 2PY -0.09891 -0.10982 0.04899 -0.08519 0.10435 180 2PZ 0.11380 0.10933 -0.03343 0.10026 -0.01480 181 3S 2.21973 -0.04360 0.56870 0.18743 -0.05604 182 3PX 0.08059 -0.16182 0.18254 0.08036 -0.05142 183 3PY 0.77786 -0.25129 0.51484 -0.02668 -0.17153 184 3PZ -0.44958 0.03307 -0.13782 0.08322 0.06238 185 4XX -0.11469 -0.11660 0.00574 -0.10846 -0.08498 186 4YY 0.26303 0.14594 -0.11381 0.05249 -0.03255 187 4ZZ -0.10320 -0.05762 0.10700 0.02611 0.17533 188 4XY 0.14983 0.06344 -0.15570 -0.09925 -0.22634 189 4XZ -0.06820 -0.01640 0.01471 -0.03624 -0.04701 190 4YZ -0.15808 -0.16731 0.06354 -0.19003 -0.17724 191 18 C 1S 0.01347 -0.00485 0.00462 -0.00305 -0.00045 192 2S 0.23435 -0.06194 0.05007 -0.13423 -0.35165 193 2PX 0.04522 0.00760 -0.02902 -0.04644 -0.18331 194 2PY -0.07861 -0.02883 0.06207 -0.01634 -0.13128 195 2PZ 0.12178 0.03270 -0.07535 -0.05308 -0.12004 196 3S -1.59110 0.55659 -0.71509 0.46755 0.52965 197 3PX -0.69810 0.28343 -0.34223 0.18563 0.19042 198 3PY -0.10076 0.27079 -0.42044 -0.03299 0.13147 199 3PZ -0.81965 0.10716 -0.13132 0.26664 0.15892 200 4XX 0.01423 0.01862 0.02303 0.03016 0.00083 201 4YY -0.04855 -0.10299 -0.06449 -0.17672 -0.03617 202 4ZZ 0.02346 0.09118 0.01898 0.13724 -0.04216 203 4XY -0.07480 -0.09510 0.00843 -0.10330 0.14333 204 4XZ -0.04225 0.06919 0.05642 0.19936 0.15526 205 4YZ -0.01432 -0.04575 0.00651 -0.01285 0.09881 206 19 C 1S 0.00152 0.00697 -0.01449 -0.00007 0.00164 207 2S 0.03007 0.19883 -0.11506 0.21079 0.16645 208 2PX 0.02678 0.00369 0.02042 0.02346 0.05882 209 2PY -0.10588 -0.10449 0.03664 -0.11307 -0.03305 210 2PZ 0.12063 0.08919 -0.01476 0.11108 0.09523 211 3S 0.98370 -1.09284 1.60485 -0.54744 -0.14944 212 3PX 0.54633 -0.12569 0.28574 -0.12240 -0.11067 213 3PY -0.18730 0.23525 -0.02021 0.17502 0.01586 214 3PZ 0.83844 -0.32866 0.44437 -0.30654 -0.16531 215 4XX 0.12943 0.11181 -0.06268 0.09354 -0.09273 216 4YY 0.05561 -0.01177 -0.03444 0.00112 0.22372 217 4ZZ -0.16850 -0.10980 0.14050 -0.05075 -0.08157 218 4XY 0.05996 0.09639 -0.05234 0.07882 -0.03613 219 4XZ -0.25738 -0.06797 0.12545 0.00548 -0.21310 220 4YZ 0.26110 0.19563 -0.10170 0.11255 -0.15105 221 20 C 1S 0.01793 -0.00017 -0.00118 0.00082 0.00335 222 2S 0.26585 -0.17693 -0.03197 -0.25940 0.17167 223 2PX 0.01174 0.06166 -0.08231 0.03472 -0.10663 224 2PY -0.07885 0.05297 0.08263 0.15648 -0.11553 225 2PZ 0.07313 0.04210 -0.13827 -0.07185 -0.03862 226 3S -2.16794 0.51461 -0.49454 0.10797 -0.41748 227 3PX 0.22717 -0.39770 0.89152 -0.22756 0.19377 228 3PY 0.95432 -0.56642 0.77769 -0.37968 0.14045 229 3PZ -0.45119 -0.04234 0.43186 0.07954 0.08754 230 4XX 0.07847 0.02545 -0.12540 -0.06070 -0.01340 231 4YY -0.25174 -0.13405 0.08954 -0.07181 -0.10699 232 4ZZ 0.12100 0.07405 -0.00411 0.07834 0.16700 233 4XY -0.13151 -0.03696 0.13051 -0.06898 -0.29150 234 4XZ -0.00124 0.02167 -0.04274 0.05902 0.02167 235 4YZ 0.15470 0.05184 -0.15223 -0.12155 -0.11867 236 21 H 1S 0.19765 0.18876 -0.35739 0.06504 0.14242 237 2S -0.24526 0.10883 -0.07951 0.13559 -0.04564 238 22 H 1S 0.44250 0.20722 -0.19516 0.08146 0.04000 239 2S 0.15290 -0.11736 0.11183 -0.09975 -0.05564 240 23 H 1S 0.00405 0.05372 -0.08205 -0.04797 -0.19158 241 2S -0.22291 0.08556 -0.10791 0.06954 0.09134 242 24 H 1S -0.28940 -0.23880 0.21026 -0.10855 0.01544 243 2S 0.21426 -0.04337 0.09162 -0.00695 -0.05535 244 25 H 1S -0.53015 -0.17929 0.21047 0.10124 0.09005 245 2S -0.15668 0.02866 -0.23650 -0.20012 -0.03088 246 26 O 1S 0.00781 -0.00684 0.00119 -0.00169 0.00363 247 2S -0.02036 0.02086 -0.08328 0.16420 0.09284 248 2PX 0.00324 -0.01076 -0.00242 -0.06890 -0.00087 249 2PY -0.04286 0.01034 0.02431 0.04077 -0.02612 250 2PZ 0.06402 -0.05348 0.06152 -0.07563 -0.03185 251 3S -0.07364 0.06193 0.29222 -0.37221 -0.28895 252 3PX 0.04000 -0.05102 0.00542 0.18484 0.03608 253 3PY 0.00145 0.00707 -0.07893 -0.06383 0.03930 254 3PZ -0.02638 0.09086 -0.20223 0.11761 0.15298 255 4XX -0.09117 -0.04995 -0.20917 0.05058 -0.00108 256 4YY -0.09797 0.07603 -0.03575 0.10883 0.02363 257 4ZZ 0.19963 -0.03913 0.22099 -0.10549 0.02088 258 4XY 0.02227 -0.14365 0.13326 0.12759 -0.01425 259 4XZ -0.01024 -0.08800 -0.03660 -0.07738 -0.03293 260 4YZ 0.01166 0.00418 0.02327 -0.03952 -0.04789 261 27 H 1S 0.00983 -0.06856 0.00807 0.04773 -0.00605 262 2S -0.05314 0.00152 0.00299 0.02151 -0.02244 263 28 H 1S 0.01671 -0.01188 -0.07604 -0.30109 0.04402 264 2S -0.09308 -0.00260 -0.25080 -0.09680 0.01379 201 202 203 204 205 V V V V V Eigenvalues -- 2.38544 2.40446 2.42682 2.44939 2.45885 1 1 C 1S -0.02133 -0.02582 -0.05951 0.01663 -0.01622 2 2S -0.31068 -0.34040 -0.32338 0.18115 -0.25898 3 2PX 0.00048 -0.14583 0.03944 0.02591 0.00697 4 2PY 0.01822 0.01542 -0.03800 0.08916 -0.00049 5 2PZ 0.01621 -0.09494 -0.04607 -0.09178 0.00738 6 3S 1.88311 1.67069 2.96373 -0.87931 1.12757 7 3PX -0.07662 -0.36013 0.49785 0.43553 0.21398 8 3PY -0.37870 -0.64681 0.67070 -0.45981 0.07976 9 3PZ -0.19375 -0.28994 -0.83969 0.18723 -0.24137 10 4XX -0.05188 -0.19080 0.05658 0.09857 0.02203 11 4YY 0.04068 0.09052 0.14629 -0.02779 -0.02535 12 4ZZ 0.04692 0.10796 -0.18054 -0.09810 0.04704 13 4XY -0.04432 -0.03001 -0.09927 -0.02109 -0.00152 14 4XZ 0.06386 0.01218 -0.14858 0.05023 -0.08356 15 4YZ 0.10484 -0.11258 0.13300 -0.08654 0.01435 16 2 C 1S 0.00300 -0.01038 0.00500 0.00184 0.01264 17 2S 0.15996 -0.04897 -0.16629 0.05742 -0.00672 18 2PX -0.04554 0.02792 0.06022 0.00400 -0.03268 19 2PY -0.09024 -0.09414 -0.00987 0.00027 0.04272 20 2PZ 0.08133 0.09840 -0.05328 -0.08594 -0.00595 21 3S -0.48317 1.26374 0.93185 -0.35591 -0.59176 22 3PX 0.33673 0.66555 2.44326 -0.15687 0.37805 23 3PY 0.98112 0.24657 -1.20232 0.02935 0.14107 24 3PZ -0.66203 -0.48456 -1.02835 0.15468 -0.38712 25 4XX -0.02104 0.00967 0.01956 -0.06098 0.01607 26 4YY -0.06248 -0.05852 0.07536 0.04175 -0.01201 27 4ZZ 0.06066 0.05196 0.00249 0.04344 -0.00342 28 4XY 0.04478 -0.10607 0.02344 -0.02615 -0.03078 29 4XZ -0.01980 -0.09991 0.19157 0.03555 0.03947 30 4YZ 0.04699 0.12801 0.10956 -0.04574 0.01365 31 3 C 1S 0.00225 0.01197 0.02365 0.00578 0.03384 32 2S 0.39438 0.04994 0.16839 0.11193 0.37561 33 2PX 0.20928 0.03353 -0.06845 -0.03595 0.12410 34 2PY -0.04581 0.04481 0.06549 -0.06600 -0.11851 35 2PZ -0.07241 0.02595 -0.00549 0.01092 -0.03305 36 3S -0.51155 -0.26993 -1.37342 0.00750 -0.62288 37 3PX -1.27204 0.70025 1.84791 -0.03181 -0.57022 38 3PY -0.13931 -1.03372 -2.06467 0.27644 0.18163 39 3PZ 0.74051 0.15277 -0.14669 -0.14886 0.22620 40 4XX -0.09404 -0.03699 -0.21637 -0.14771 -0.08557 41 4YY 0.09245 0.02087 0.18569 -0.03263 -0.15882 42 4ZZ 0.08757 0.00258 0.04993 0.20689 0.35860 43 4XY 0.01424 0.02336 0.08184 -0.06796 -0.21633 44 4XZ 0.14019 0.18556 0.15700 -0.04266 0.20490 45 4YZ -0.03556 -0.16168 0.06858 0.00623 0.22229 46 4 C 1S -0.00558 0.01238 0.01400 -0.00378 0.01473 47 2S -0.10614 0.21712 0.28739 -0.04054 0.21557 48 2PX -0.16197 -0.02334 -0.09148 -0.07221 -0.24691 49 2PY 0.07460 -0.10100 -0.11858 0.03145 -0.02500 50 2PZ 0.04881 0.02737 0.06591 0.05513 0.12546 51 3S 1.41872 -0.52434 -0.97819 -0.11028 -0.08336 52 3PX 0.11777 -0.08074 0.10855 0.16499 -0.04966 53 3PY -0.64266 0.40997 0.66701 -0.02109 0.18373 54 3PZ 0.05288 -0.14754 -0.28505 0.10102 0.07188 55 4XX -0.08692 0.12950 0.13430 0.01443 -0.10373 56 4YY 0.18318 -0.12342 -0.17076 -0.10871 -0.04542 57 4ZZ -0.08999 0.03557 0.10028 0.07707 0.20878 58 4XY -0.25832 0.04984 -0.07821 -0.19114 -0.02900 59 4XZ 0.15617 0.15916 0.08185 -0.03069 0.16886 60 4YZ 0.10878 0.16654 0.21657 -0.20776 -0.09130 61 5 C 1S 0.00637 0.00483 0.00201 -0.01166 -0.01592 62 2S -0.12042 0.01831 -0.14137 -0.18943 -0.20543 63 2PX 0.13261 -0.01517 0.06121 0.06574 -0.02289 64 2PY 0.03281 -0.00785 0.02183 0.03198 0.23490 65 2PZ -0.06548 -0.00360 -0.02834 -0.04652 -0.05108 66 3S -0.62066 0.26326 0.57106 0.20226 0.15826 67 3PX 0.19613 -0.13887 -0.28803 -0.21763 -0.25595 68 3PY 0.09502 0.02524 -0.15030 -0.11960 0.00001 69 3PZ -0.11723 0.00794 0.19338 0.02552 0.04337 70 4XX 0.17500 -0.02665 -0.13924 0.12221 0.01379 71 4YY -0.16296 0.06700 0.10541 0.06514 0.18342 72 4ZZ -0.09097 -0.02642 0.00291 -0.24240 -0.26182 73 4XY -0.12087 0.11659 0.05202 -0.05891 -0.07027 74 4XZ -0.07797 0.07466 -0.01463 0.06492 0.03258 75 4YZ 0.11920 0.07995 -0.05190 -0.11411 -0.10515 76 6 C 1S -0.00256 0.00072 0.00375 -0.00615 -0.03409 77 2S 0.27369 -0.05306 -0.02928 -0.06331 -0.44238 78 2PX -0.16437 0.05438 -0.00235 -0.04130 0.11459 79 2PY 0.16182 -0.03060 -0.08205 -0.07439 -0.11577 80 2PZ 0.04400 0.00381 0.02043 0.02060 -0.02935 81 3S -0.01276 -0.12292 -0.34415 0.14896 0.63172 82 3PX 0.03984 0.20444 0.23723 -0.14690 -0.44464 83 3PY 0.14185 -0.04877 -0.10234 0.04212 0.38502 84 3PZ -0.02171 0.01211 -0.08879 -0.00996 0.07426 85 4XX -0.14886 -0.08913 -0.11736 0.06925 0.08019 86 4YY 0.09536 0.10216 0.16076 0.08136 0.18732 87 4ZZ 0.13862 -0.02445 -0.05497 -0.16245 -0.39226 88 4XY 0.16345 -0.06658 -0.08036 0.06036 0.18502 89 4XZ 0.06581 -0.11758 0.04645 0.08952 -0.20833 90 4YZ -0.00157 0.12515 -0.03367 -0.04713 -0.19927 91 7 C 1S -0.00256 -0.00603 0.00080 0.00639 -0.01593 92 2S -0.09657 -0.05739 0.14081 0.11501 -0.19545 93 2PX 0.02990 0.01531 -0.03730 -0.05942 -0.22924 94 2PY -0.08162 0.00546 0.14342 0.06799 -0.01690 95 2PZ -0.00246 -0.01945 -0.01077 0.03894 0.11535 96 3S -0.36192 0.79720 1.04325 -0.24523 0.26368 97 3PX 0.02807 -0.14569 -0.25893 -0.04677 -0.03600 98 3PY -0.03831 0.31826 0.29684 -0.17039 0.29342 99 3PZ 0.01750 -0.00040 0.01375 0.20117 0.05192 100 4XX -0.08550 -0.06471 0.01465 -0.02326 0.13118 101 4YY 0.14243 0.01770 -0.02545 0.08664 0.01187 102 4ZZ -0.09960 0.07139 0.09937 -0.03705 -0.19742 103 4XY -0.33832 -0.00274 -0.02618 0.09419 0.04456 104 4XZ 0.01144 -0.10987 0.09192 0.04495 -0.16792 105 4YZ 0.09615 -0.01646 -0.03553 0.25782 0.09302 106 8 C 1S -0.00608 0.00774 0.01977 0.01006 0.01797 107 2S -0.34150 0.00407 0.03060 0.11292 0.22151 108 2PX -0.20343 0.01486 0.02053 -0.01210 -0.01474 109 2PY 0.00689 -0.12650 -0.16454 0.01948 0.22371 110 2PZ 0.08936 0.00932 0.03768 -0.02742 -0.04289 111 3S 0.34357 -1.03731 -1.50269 0.02168 -0.44159 112 3PX 0.57603 -0.60799 -1.20927 -0.02987 -0.32842 113 3PY -0.40313 0.14713 0.23244 0.05856 -0.06046 114 3PZ -0.26749 0.07059 0.47187 -0.06802 0.07124 115 4XX 0.18237 -0.14059 -0.03953 -0.11801 -0.03622 116 4YY -0.18323 0.01126 0.02141 -0.08425 -0.16314 117 4ZZ -0.07178 0.11979 0.02387 0.22552 0.26294 118 4XY -0.14274 -0.10095 0.14143 0.07134 0.07837 119 4XZ -0.21160 -0.04627 0.09450 -0.09041 -0.00332 120 4YZ -0.02703 -0.15868 -0.03049 0.08052 0.08636 121 9 H 1S -0.10634 -0.04963 -0.18173 -0.03372 -0.04507 122 2S 0.11088 0.01778 -0.17391 0.06883 -0.09594 123 10 H 1S -0.01430 -0.01995 0.00936 -0.00345 0.03119 124 2S 0.01423 0.05183 0.01271 -0.06556 0.08022 125 11 H 1S 0.19934 -0.10763 -0.06675 0.02100 0.05577 126 2S -0.01135 -0.02331 -0.04205 0.03918 0.17460 127 12 H 1S -0.07579 0.02235 0.04176 0.00440 0.05167 128 2S -0.03660 0.00883 0.06359 0.07142 0.07366 129 13 H 1S -0.02006 0.12830 0.18050 0.04531 -0.01175 130 2S 0.07316 -0.17050 -0.26418 -0.00009 -0.05414 131 14 O 1S 0.00990 0.00687 -0.00457 -0.00330 0.00378 132 2S 0.25869 0.31283 -0.00270 -0.18921 0.07289 133 2PX -0.03071 0.00507 0.04100 0.02058 -0.00986 134 2PY -0.04611 -0.11536 -0.05442 0.06522 -0.01581 135 2PZ 0.04893 0.06643 -0.00905 -0.05704 0.00328 136 3S -0.96604 -0.93737 0.16811 0.40168 -0.21394 137 3PX 0.00525 -0.08481 -0.36869 -0.02239 -0.03020 138 3PY 0.20314 0.28848 0.12735 -0.12197 0.07224 139 3PZ -0.13901 -0.13398 0.19875 0.10383 0.02133 140 4XX 0.09926 0.06876 0.03149 0.05608 -0.02394 141 4YY 0.04765 0.10465 -0.11045 -0.16991 0.00195 142 4ZZ -0.02548 -0.03026 0.06603 0.02484 0.06566 143 4XY -0.02646 0.00765 0.16762 -0.04013 -0.02816 144 4XZ -0.08711 -0.04634 -0.25283 -0.09720 0.05854 145 4YZ -0.08142 -0.02492 -0.06813 -0.05915 -0.00721 146 15 C 1S 0.00199 0.00065 0.01630 -0.03115 0.01322 147 2S -0.30661 0.21202 0.38727 -0.44916 0.17209 148 2PX 0.08511 0.02970 0.06808 0.07273 -0.00154 149 2PY 0.07092 -0.00589 -0.07935 -0.01066 -0.03351 150 2PZ 0.11266 0.08648 0.06665 0.06453 0.00952 151 3S 0.32209 -0.75247 -0.81553 0.93778 -0.43401 152 3PX -0.91072 -1.01087 -0.66739 0.08725 -0.13264 153 3PY -0.45776 -0.27401 -0.41156 0.53867 -0.07719 154 3PZ -0.74783 -0.75151 -0.26801 -0.25354 0.00145 155 4XX 0.07294 0.08198 -0.00914 -0.31638 0.05983 156 4YY -0.03086 -0.18833 0.04740 0.15630 -0.12482 157 4ZZ -0.09539 0.11282 -0.03331 0.08468 0.09578 158 4XY -0.01542 -0.18899 -0.25037 0.03896 0.01860 159 4XZ 0.03002 0.04672 0.00633 0.28431 -0.11237 160 4YZ -0.06433 -0.26848 0.18624 -0.14935 0.10958 161 16 C 1S 0.00779 -0.00083 0.01176 -0.01618 0.00795 162 2S 0.20560 0.11268 0.21075 -0.10090 0.12665 163 2PX -0.10986 0.01182 0.00613 -0.08008 0.03241 164 2PY -0.03946 0.02893 0.09080 -0.10462 0.06044 165 2PZ -0.09714 -0.06593 -0.05667 0.00904 -0.04567 166 3S -0.77649 -0.13882 -0.71206 0.65246 -0.26008 167 3PX 0.41573 -0.00014 0.39616 -0.33715 0.23852 168 3PY 0.00719 -0.25046 0.01444 0.11184 -0.07866 169 3PZ 0.50703 0.09590 0.73335 -0.32628 0.16056 170 4XX -0.01028 0.11445 0.15492 0.03108 -0.11782 171 4YY 0.11420 -0.21449 0.02502 0.14612 -0.05775 172 4ZZ -0.05968 0.11504 -0.14911 -0.21094 0.20835 173 4XY 0.02404 0.18553 -0.25448 0.04749 -0.01344 174 4XZ -0.20532 -0.01911 0.04168 0.15248 -0.10174 175 4YZ -0.06975 0.19407 0.08311 -0.02509 0.08545 176 17 C 1S -0.00071 0.00974 -0.00273 0.01134 -0.00281 177 2S 0.06229 -0.13351 -0.08041 0.10555 -0.04446 178 2PX 0.04287 -0.08449 0.07018 -0.11851 0.04542 179 2PY 0.05574 -0.12188 -0.01693 0.00792 -0.00025 180 2PZ -0.00137 -0.00878 0.10851 -0.14780 0.09270 181 3S 0.43276 0.08148 0.61003 -0.34352 0.14082 182 3PX 0.05373 0.02028 0.28640 -0.14973 -0.01044 183 3PY 0.09435 0.05260 0.16719 -0.18753 0.11485 184 3PZ -0.06534 -0.06208 0.04678 -0.08981 0.07929 185 4XX -0.05650 -0.09010 0.12379 0.11634 -0.14377 186 4YY -0.05342 0.04016 -0.10419 0.00487 0.12335 187 4ZZ 0.15276 0.00915 -0.02978 -0.09760 0.00932 188 4XY -0.13443 0.06686 0.08983 -0.07711 -0.08468 189 4XZ -0.06657 -0.09046 -0.03697 -0.14191 0.10236 190 4YZ -0.17656 0.02449 -0.11172 -0.05436 0.06548 191 18 C 1S 0.00300 0.01319 -0.00909 0.02398 -0.01011 192 2S -0.21613 0.28990 -0.08895 0.29482 -0.14097 193 2PX -0.13342 0.10461 -0.01634 0.07506 -0.03814 194 2PY -0.08818 0.12915 -0.03691 0.05114 -0.03775 195 2PZ -0.08865 0.04898 0.01879 0.02943 -0.01298 196 3S 0.02065 -0.27820 0.04730 -0.51078 0.20484 197 3PX -0.02831 -0.22700 0.07203 -0.26071 0.14433 198 3PY 0.01137 -0.18741 -0.04408 -0.28996 0.07718 199 3PZ 0.02790 0.00725 0.04579 -0.22743 0.10980 200 4XX -0.04721 -0.02954 -0.03578 0.29875 -0.06963 201 4YY -0.03315 -0.10023 -0.04658 -0.21338 0.10028 202 4ZZ 0.02231 0.22259 0.05308 -0.01142 -0.07188 203 4XY 0.08268 -0.24723 0.03930 -0.08352 -0.04373 204 4XZ 0.12316 -0.00234 0.03966 -0.13577 0.12070 205 4YZ 0.10555 0.16727 -0.16620 0.17977 -0.10101 206 19 C 1S 0.00220 0.01039 -0.01025 0.01051 -0.00616 207 2S 0.15210 0.24701 -0.10608 0.18006 -0.05224 208 2PX 0.06471 0.01038 0.01803 -0.07420 0.05178 209 2PY -0.03868 -0.12766 0.04358 -0.16138 0.05318 210 2PZ 0.09738 0.09436 -0.01059 0.06043 -0.01163 211 3S 0.16154 -0.17985 0.41971 -0.15551 0.08205 212 3PX -0.02432 -0.01624 0.02926 -0.19305 0.10349 213 3PY -0.06029 0.18201 0.09515 -0.02279 -0.04290 214 3PZ 0.02385 -0.24404 0.27692 -0.06295 0.00219 215 4XX -0.08908 0.15906 -0.20061 0.00584 0.10785 216 4YY 0.18780 -0.08600 0.01791 -0.14060 0.07724 217 4ZZ -0.04213 0.00495 0.15033 0.20422 -0.20662 218 4XY -0.03999 -0.13902 0.21837 -0.07117 0.01196 219 4XZ -0.18300 0.09736 0.03108 -0.15568 0.07700 220 4YZ -0.04660 0.22969 0.11566 0.04533 -0.06251 221 20 C 1S 0.00787 0.00078 -0.00011 -0.01149 0.00270 222 2S 0.18178 -0.27652 -0.09325 -0.17556 0.01829 223 2PX -0.06823 0.00241 0.07686 -0.12951 0.03956 224 2PY -0.08668 0.18924 0.04421 0.05252 0.00752 225 2PZ -0.03192 -0.14983 0.05982 -0.19934 0.08009 226 3S -0.83645 -0.03661 -0.10650 -0.03674 -0.00366 227 3PX 0.23153 0.02910 0.39893 -0.15104 0.03114 228 3PY 0.40046 -0.07083 0.07745 -0.19051 0.09426 229 3PZ -0.11279 -0.02420 0.00312 -0.11674 0.09002 230 4XX -0.00887 -0.01732 -0.10884 -0.16486 0.12228 231 4YY -0.02684 0.11150 0.14250 0.03584 -0.11730 232 4ZZ 0.06697 -0.16707 -0.04460 0.07590 0.01206 233 4XY -0.30192 -0.02951 -0.08769 0.04569 0.05085 234 4XZ 0.04764 0.08222 0.10879 0.14783 -0.10519 235 4YZ -0.06398 -0.08729 0.09065 -0.10250 -0.09211 236 21 H 1S 0.09991 -0.09102 -0.02537 -0.03687 -0.01656 237 2S -0.13733 0.02716 -0.05593 0.09328 -0.02069 238 22 H 1S 0.07365 0.00403 0.03238 -0.00593 0.02529 239 2S -0.01400 -0.08838 0.03734 -0.03008 0.01393 240 23 H 1S -0.14558 0.05031 0.03286 -0.05727 0.02786 241 2S 0.02365 -0.07707 0.02355 -0.12948 0.05481 242 24 H 1S 0.00312 -0.06811 -0.03509 -0.01955 0.00343 243 2S 0.01570 0.01603 0.03585 -0.04223 0.01563 244 25 H 1S 0.03722 0.11673 -0.04944 0.06242 -0.03030 245 2S -0.13552 -0.11126 -0.24912 0.10865 -0.06479 246 26 O 1S 0.00684 0.00063 -0.00617 -0.00816 0.00235 247 2S 0.09113 -0.11151 0.14972 -0.06272 0.04540 248 2PX -0.03049 0.02773 0.04051 0.04427 -0.00685 249 2PY 0.00186 -0.06453 0.05144 -0.04173 0.00576 250 2PZ 0.00349 0.07950 -0.10634 -0.01110 -0.00566 251 3S -0.41457 -0.00231 -0.20671 0.10270 -0.17674 252 3PX 0.15817 0.01598 -0.24167 -0.18898 0.00584 253 3PY -0.04978 0.12514 -0.11699 0.10975 -0.03604 254 3PZ 0.09493 0.01410 0.27886 0.10317 0.06945 255 4XX 0.01484 -0.14362 0.35632 0.10900 0.04739 256 4YY -0.03289 0.06513 -0.19153 0.01308 -0.06464 257 4ZZ 0.06964 0.01188 -0.11389 -0.19907 0.04652 258 4XY 0.05442 0.16225 -0.00294 -0.20983 0.03378 259 4XZ -0.02087 -0.13370 0.08505 0.04461 -0.02335 260 4YZ -0.02213 -0.28108 0.00533 -0.10397 -0.02334 261 27 H 1S 0.03998 -0.06391 -0.13977 -0.08734 -0.03440 262 2S -0.00765 0.00219 0.00656 -0.02351 0.02777 263 28 H 1S -0.14701 -0.04836 -0.44134 0.25390 -0.08862 264 2S -0.03833 0.07294 -0.14917 0.24050 -0.07822 206 207 208 209 210 V V V V V Eigenvalues -- 2.46481 2.47009 2.47762 2.48247 2.50334 1 1 C 1S 0.00425 0.01410 0.01728 -0.02912 -0.03439 2 2S -0.10003 -0.02853 0.08362 -0.35187 0.00277 3 2PX -0.02768 -0.03209 0.07186 0.03943 0.01664 4 2PY 0.03983 -0.00038 0.07068 0.13266 -0.15696 5 2PZ -0.00727 0.05430 -0.01270 -0.12749 0.10642 6 3S 0.10773 -0.75539 -0.73812 1.51100 1.17798 7 3PX 0.16965 -0.06731 0.63996 0.80725 -0.07307 8 3PY -0.51277 -0.28455 -0.29799 -0.67976 1.04393 9 3PZ 0.01976 0.25323 0.41440 -0.23204 -0.41896 10 4XX 0.07547 0.02072 0.02934 0.06988 0.10136 11 4YY -0.05767 -0.06561 0.00146 -0.01121 0.10972 12 4ZZ 0.01072 0.05836 -0.02360 -0.04899 -0.20402 13 4XY 0.00265 0.04246 -0.02594 -0.01653 -0.12631 14 4XZ -0.02570 -0.01151 0.04694 0.09143 -0.12419 15 4YZ -0.04796 -0.07900 -0.04257 -0.08650 0.24224 16 2 C 1S 0.01023 0.00901 0.00868 0.01549 0.00286 17 2S 0.05787 -0.03602 0.20810 0.14720 -0.15495 18 2PX 0.00544 0.04129 -0.04851 0.01027 -0.03383 19 2PY 0.03507 0.00311 -0.01040 -0.05552 0.04566 20 2PZ -0.02281 -0.00546 -0.01186 0.00658 -0.04476 21 3S -0.79441 -0.31473 -0.83406 -0.70432 -0.07483 22 3PX -0.46840 -0.88265 0.01168 0.88582 0.58428 23 3PY 0.52707 0.09215 0.28885 0.09186 -0.82062 24 3PZ 0.07607 0.44206 -0.02568 -0.60800 -0.22090 25 4XX 0.00459 0.07826 -0.02315 0.00249 -0.13367 26 4YY -0.00533 -0.05330 0.01171 0.03667 0.09443 27 4ZZ -0.01908 -0.02236 -0.00885 -0.00894 0.07499 28 4XY -0.02368 -0.02398 -0.05293 -0.03950 0.08417 29 4XZ -0.03203 -0.06851 -0.01803 0.14325 0.03066 30 4YZ -0.01877 0.03026 -0.01820 0.08936 0.00315 31 3 C 1S 0.00978 0.00233 -0.00055 0.00310 0.00525 32 2S 0.11704 -0.00276 -0.03509 0.00680 0.04267 33 2PX 0.06968 0.05872 0.02040 0.02566 0.01825 34 2PY -0.09033 -0.05841 -0.05528 0.05952 0.11817 35 2PZ -0.00867 -0.00242 0.00286 -0.01714 -0.05505 36 3S 0.31777 0.45389 0.30052 -0.32108 -1.03246 37 3PX -0.63626 -0.01039 -0.44056 0.50359 0.67716 38 3PY 0.82936 1.18125 0.14620 0.11914 0.45493 39 3PZ 0.06047 -0.28494 0.10023 -0.15775 -0.29733 40 4XX 0.15088 0.10746 0.01385 0.04475 -0.11318 41 4YY -0.07356 -0.16723 0.04335 -0.03290 0.08284 42 4ZZ -0.02018 0.08465 -0.04092 -0.02599 0.02538 43 4XY -0.02101 -0.08563 0.01494 0.09417 -0.01935 44 4XZ 0.20095 0.01057 0.05486 0.02483 -0.12303 45 4YZ 0.23584 -0.00268 0.05276 -0.08094 0.14121 46 4 C 1S 0.00940 0.01842 -0.00555 0.02008 0.01896 47 2S 0.11221 0.18006 -0.05175 0.20191 0.25573 48 2PX -0.09616 0.07736 -0.06261 0.12538 0.10289 49 2PY -0.01994 -0.04997 0.01987 -0.08381 -0.12311 50 2PZ 0.00813 -0.01419 0.00721 -0.03991 0.00120 51 3S -0.12404 -0.79762 0.24315 -0.34261 -0.47890 52 3PX -0.04308 0.09520 0.00752 0.33787 0.30443 53 3PY -0.02044 0.34915 -0.24390 0.01330 0.14262 54 3PZ -0.18971 -0.06004 -0.02787 -0.16449 -0.20104 55 4XX -0.14611 -0.12995 0.00051 -0.05029 -0.14962 56 4YY 0.18642 0.03486 0.03446 -0.00023 0.03542 57 4ZZ -0.01360 0.13061 -0.05226 0.11191 0.21040 58 4XY 0.21379 0.15668 -0.00519 0.09938 0.07633 59 4XZ -0.00073 0.15195 -0.09347 0.15936 0.11897 60 4YZ 0.31102 -0.15472 0.16516 0.02568 -0.01184 61 5 C 1S -0.00480 0.00912 -0.00791 0.02942 0.02311 62 2S -0.02528 0.19310 -0.11367 0.33696 0.23226 63 2PX -0.04008 -0.15468 0.06328 -0.10877 -0.09185 64 2PY 0.13214 0.08617 -0.00248 -0.02001 0.07201 65 2PZ 0.02628 0.02739 -0.00179 0.04059 0.02915 66 3S -0.07693 -0.05031 0.02024 -0.82718 -0.58018 67 3PX 0.02243 0.01056 -0.03567 0.46086 0.42363 68 3PY 0.06528 0.09071 -0.04604 0.12901 0.02748 69 3PZ 0.18503 -0.10105 0.12960 -0.26516 -0.08434 70 4XX -0.25179 0.08304 -0.11929 0.05471 -0.07505 71 4YY 0.05132 -0.07548 0.05691 -0.19731 -0.18263 72 4ZZ 0.19727 0.07553 0.02408 0.23863 0.32233 73 4XY -0.09904 0.09597 -0.08691 0.16140 0.11642 74 4XZ -0.26590 0.17669 -0.17518 0.16560 0.06856 75 4YZ 0.01990 0.08004 -0.03478 0.15466 -0.07757 76 6 C 1S -0.01845 -0.01046 -0.00306 0.00718 -0.00122 77 2S -0.22083 -0.12678 -0.03017 0.07164 -0.05239 78 2PX 0.07880 0.13156 -0.02836 0.07870 0.11018 79 2PY -0.02328 0.07863 -0.05446 0.16299 0.11657 80 2PZ -0.02802 -0.06461 0.02020 -0.05272 -0.09323 81 3S 0.34636 0.09374 0.07800 0.12739 0.25042 82 3PX -0.24359 -0.06994 -0.05195 0.02288 -0.15834 83 3PY 0.21901 0.04387 0.01552 0.10486 0.06703 84 3PZ 0.07700 0.04609 0.01295 0.02752 -0.09805 85 4XX -0.04980 0.12788 -0.05729 0.00169 0.10249 86 4YY -0.01810 -0.04429 0.00469 -0.05446 -0.03530 87 4ZZ 0.00297 -0.12965 0.04694 0.10108 -0.08454 88 4XY 0.00421 0.09531 -0.06263 -0.01741 -0.00921 89 4XZ -0.26386 -0.14942 -0.04522 -0.00913 0.14692 90 4YZ -0.23843 0.04346 -0.10840 0.14712 -0.14113 91 7 C 1S -0.01268 -0.02224 0.00544 -0.01544 -0.01944 92 2S -0.18476 -0.35775 0.07065 -0.17842 -0.14889 93 2PX -0.11713 0.00259 -0.03540 0.12895 0.06579 94 2PY -0.07410 -0.16578 0.02972 -0.11087 -0.03886 95 2PZ 0.02608 0.03964 -0.01087 -0.03151 -0.00230 96 3S -0.01357 0.38075 -0.16740 0.01140 0.31335 97 3PX -0.03065 0.07823 -0.07104 0.05385 -0.11025 98 3PY 0.09541 0.37951 -0.11287 0.02354 0.12996 99 3PZ -0.24373 -0.04368 -0.04975 -0.04412 0.11063 100 4XX 0.12347 0.10544 -0.02476 0.06580 0.24409 101 4YY -0.13789 0.01702 -0.04481 0.02297 -0.02373 102 4ZZ -0.05153 -0.23769 0.09490 -0.16689 -0.28053 103 4XY -0.15529 0.01286 -0.04122 -0.12081 0.01762 104 4XZ -0.06191 -0.27342 0.09168 -0.20694 -0.11778 105 4YZ -0.38445 0.02391 -0.13322 -0.04325 0.06819 106 8 C 1S 0.00223 -0.01195 0.00741 -0.02112 -0.02299 107 2S 0.07572 -0.05277 0.06984 -0.29231 -0.27896 108 2PX -0.02000 -0.04784 0.03070 -0.13183 -0.09133 109 2PY 0.17358 0.17430 -0.03223 0.04870 0.04905 110 2PZ -0.00231 -0.01821 -0.00223 0.04146 0.03450 111 3S 0.24313 0.61949 -0.14122 0.72814 0.91465 112 3PX 0.26691 0.20883 0.06839 0.43694 0.06640 113 3PY 0.02053 0.24711 -0.03526 0.18078 0.73993 114 3PZ 0.12189 -0.22993 0.09927 -0.26691 -0.18629 115 4XX 0.26926 -0.06579 0.11944 -0.06918 -0.03606 116 4YY -0.07727 0.05017 -0.05826 0.15979 0.19263 117 4ZZ -0.16902 0.00284 -0.04348 -0.15590 -0.21207 118 4XY 0.04735 -0.20314 0.08593 -0.23287 -0.02114 119 4XZ 0.29469 -0.08532 0.14166 -0.05650 -0.09993 120 4YZ 0.01069 0.04946 -0.01161 -0.01968 -0.00750 121 9 H 1S 0.02806 0.09860 -0.01874 0.10499 -0.01865 122 2S 0.05017 0.11005 0.03808 0.12437 0.11150 123 10 H 1S 0.01101 0.00338 -0.00325 -0.02616 0.02228 124 2S 0.05782 0.11895 -0.02586 0.02187 0.01720 125 11 H 1S 0.03841 -0.01080 -0.00772 -0.00820 0.01134 126 2S 0.09472 0.03247 0.01604 0.01125 0.02306 127 12 H 1S 0.03336 0.02848 0.00488 -0.01221 -0.02503 128 2S 0.02117 -0.02837 0.03787 -0.14784 -0.11180 129 13 H 1S -0.05475 -0.12115 0.05574 0.01536 -0.03314 130 2S 0.02049 -0.02319 0.05487 -0.02596 -0.03454 131 14 O 1S 0.00562 -0.00191 -0.00206 0.00033 -0.00020 132 2S 0.03374 0.07271 -0.12014 0.02882 -0.07204 133 2PX -0.00041 -0.01781 0.02230 0.06278 -0.00370 134 2PY 0.01584 -0.06292 0.03589 -0.04953 0.01810 135 2PZ -0.00469 0.02052 -0.03281 -0.01788 -0.02711 136 3S -0.18866 0.03530 0.24286 -0.07904 0.35616 137 3PX 0.04104 0.12279 -0.05765 -0.25182 -0.07463 138 3PY -0.00238 0.00942 -0.10267 0.07860 0.00586 139 3PZ -0.04432 -0.02934 0.07026 0.11872 0.13207 140 4XX -0.00475 -0.09163 0.03173 0.01959 -0.00058 141 4YY 0.03390 0.05451 -0.06718 -0.06347 -0.08525 142 4ZZ 0.00944 0.07093 -0.01365 0.06491 0.06561 143 4XY 0.01362 -0.00224 -0.00243 0.10642 0.13682 144 4XZ 0.06989 0.09166 -0.04417 -0.15983 0.06585 145 4YZ 0.03006 0.03981 -0.01227 -0.04675 -0.07459 146 15 C 1S -0.01507 0.00931 -0.00710 0.00192 -0.00722 147 2S -0.31772 0.08431 -0.18223 -0.20714 0.02805 148 2PX 0.05355 -0.02515 -0.03835 -0.03121 0.09666 149 2PY -0.00905 0.04211 0.01638 -0.11086 0.11418 150 2PZ 0.09434 -0.05811 -0.05467 0.04250 0.01502 151 3S 0.50130 -0.16203 0.72424 0.42495 -0.30770 152 3PX -0.26895 0.19614 0.51445 -0.24557 -0.32427 153 3PY -0.03323 0.37891 1.56310 0.25835 -0.55211 154 3PZ -0.27322 -0.03590 -0.55033 -0.43127 0.02052 155 4XX -0.13428 0.06638 -0.00608 -0.23975 0.01798 156 4YY 0.10224 0.05244 -0.08322 0.05232 0.01334 157 4ZZ 0.00478 -0.08750 0.11327 0.24851 -0.12579 158 4XY 0.04364 -0.12779 -0.00972 -0.02742 0.02130 159 4XZ 0.12690 0.05778 0.09101 0.00923 0.02082 160 4YZ -0.11588 0.11995 0.11928 0.18824 -0.22931 161 16 C 1S 0.00112 -0.00785 -0.03001 0.00935 -0.01617 162 2S 0.02491 -0.05280 -0.24714 0.18523 -0.24618 163 2PX -0.10339 0.07311 0.17023 -0.01360 -0.00668 164 2PY -0.10447 0.11669 0.18492 0.04914 -0.10615 165 2PZ -0.01831 0.03726 0.06227 -0.04773 0.04265 166 3S 0.04790 0.36817 1.31456 -0.17284 0.04910 167 3PX -0.08048 -0.22231 -0.09894 0.05997 0.12248 168 3PY -0.06929 0.20293 0.45576 -0.15821 0.14112 169 3PZ 0.03933 -0.10415 -0.51077 0.13275 0.00670 170 4XX 0.04845 0.26792 -0.07240 -0.12481 -0.14008 171 4YY 0.04643 0.02255 0.09102 0.08201 0.07025 172 4ZZ -0.07756 -0.30689 -0.08074 0.08507 0.00315 173 4XY -0.04900 -0.03005 0.26944 -0.10907 0.20037 174 4XZ 0.00126 0.10628 0.16868 -0.02323 0.07213 175 4YZ -0.07969 -0.10803 0.08267 0.16361 -0.00705 176 17 C 1S 0.01702 -0.01367 -0.03436 0.00465 -0.00402 177 2S 0.22637 -0.17515 -0.44517 0.01173 -0.00140 178 2PX -0.00898 0.00784 -0.13169 -0.00121 -0.09072 179 2PY 0.07448 -0.08012 -0.16922 0.01672 0.01314 180 2PZ -0.08221 0.00705 -0.00091 0.06069 -0.09826 181 3S -0.30732 0.07563 0.43853 0.03108 0.22813 182 3PX -0.11903 0.16218 0.05249 -0.14779 0.07202 183 3PY -0.25027 0.06294 0.45936 0.12060 0.00712 184 3PZ -0.02255 -0.18419 -0.19440 0.03618 0.04757 185 4XX 0.11209 0.18144 -0.13582 -0.03634 -0.07311 186 4YY -0.00804 -0.30614 -0.03383 0.22781 0.01355 187 4ZZ -0.03755 0.06289 0.01605 -0.18507 0.05846 188 4XY -0.09174 0.18951 0.08215 -0.25741 0.09753 189 4XZ -0.23083 0.07183 0.47037 0.09891 0.01255 190 4YZ -0.01235 -0.22303 -0.13556 0.04443 0.05878 191 18 C 1S 0.01627 -0.00799 -0.00549 -0.00116 0.01516 192 2S 0.17033 -0.10812 -0.08894 -0.03216 0.17353 193 2PX 0.04260 -0.03021 -0.04485 0.00175 0.03087 194 2PY -0.04345 0.05947 0.18476 -0.06395 0.10700 195 2PZ 0.07370 -0.09312 -0.21285 -0.00033 -0.00302 196 3S -0.36668 0.19538 -0.01714 -0.21997 -0.10525 197 3PX -0.18700 0.12481 0.08865 0.05958 -0.18641 198 3PY -0.17292 0.10072 0.01717 -0.17358 -0.00169 199 3PZ -0.12379 0.07846 0.02459 -0.10037 -0.04001 200 4XX 0.13175 -0.06442 0.02876 0.25756 -0.04868 201 4YY -0.08948 -0.15259 -0.07106 -0.04765 0.10138 202 4ZZ -0.00266 0.18506 0.00142 -0.23563 0.01212 203 4XY -0.01114 0.14449 -0.10197 -0.09261 -0.12251 204 4XZ -0.12567 -0.04704 0.14050 0.10168 -0.04487 205 4YZ 0.13935 -0.12927 -0.09390 -0.16805 0.27795 206 19 C 1S -0.00174 0.00728 0.02629 -0.00821 0.01799 207 2S -0.01239 0.10497 0.38879 -0.05977 0.20345 208 2PX -0.08700 0.05652 0.18728 0.02481 -0.01078 209 2PY -0.10544 0.08918 0.06532 0.00112 -0.10543 210 2PZ -0.00687 0.07168 0.16013 0.00311 0.01863 211 3S 0.10983 -0.19257 -0.54928 0.45333 -0.54589 212 3PX -0.07155 -0.15885 -0.19122 0.09851 -0.14654 213 3PY -0.12910 0.15582 0.04204 -0.14691 0.08439 214 3PZ 0.08288 -0.02976 -0.29198 0.26711 -0.41427 215 4XX -0.03676 -0.18360 0.15398 0.13547 0.04637 216 4YY -0.02116 -0.08526 -0.09169 -0.06064 0.05604 217 4ZZ 0.05751 0.30541 0.07721 -0.06961 -0.06782 218 4XY 0.04925 0.05262 -0.32101 0.10853 -0.27724 219 4XZ -0.04777 -0.16311 -0.24396 -0.03687 0.02260 220 4YZ -0.01615 0.08190 0.04547 -0.09964 0.08212 221 20 C 1S -0.01374 0.01371 0.02858 0.00021 -0.00340 222 2S -0.16354 0.17267 0.32591 -0.02992 -0.03813 223 2PX -0.03868 -0.00533 -0.15763 -0.02479 -0.05139 224 2PY 0.04067 -0.04975 -0.08970 0.03348 -0.01319 225 2PZ -0.08143 -0.01143 -0.09426 0.01012 -0.06469 226 3S 0.01609 -0.29464 -1.09087 -0.60499 0.54583 227 3PX -0.09291 0.12140 -0.16802 0.03467 -0.09658 228 3PY -0.11602 0.07077 0.41231 0.30541 -0.19129 229 3PZ -0.06585 -0.16229 -0.49757 -0.08197 0.02813 230 4XX -0.07985 -0.22278 -0.01220 0.05361 0.11181 231 4YY -0.01236 0.29631 0.12719 -0.16543 -0.04266 232 4ZZ 0.05025 -0.02968 -0.02923 0.09195 -0.05192 233 4XY 0.03715 -0.18390 -0.10630 0.11891 -0.03285 234 4XZ 0.21028 -0.07713 -0.38159 -0.05818 0.04276 235 4YZ -0.03595 0.15102 -0.17130 -0.16609 -0.03006 236 21 H 1S 0.02101 -0.06625 -0.15399 -0.04327 0.05013 237 2S 0.03418 0.00341 -0.05453 -0.05170 -0.00005 238 22 H 1S 0.01078 -0.00684 0.02894 0.04868 -0.03869 239 2S 0.02049 -0.04145 -0.09282 0.07563 -0.11829 240 23 H 1S -0.03052 0.02330 0.01636 -0.00596 -0.01480 241 2S -0.08265 0.04586 0.02330 -0.01771 -0.04870 242 24 H 1S -0.00669 0.03281 0.02484 0.00846 -0.03358 243 2S -0.07623 0.05488 0.15810 0.00699 -0.00410 244 25 H 1S -0.01947 0.04681 0.09923 0.01844 0.00244 245 2S -0.01039 0.05453 0.11384 -0.05850 -0.04653 246 26 O 1S 0.00079 0.00413 -0.00140 0.00632 -0.01331 247 2S 0.01824 -0.04299 -0.01042 -0.00079 0.16645 248 2PX 0.00584 -0.00579 0.06489 0.04019 -0.02627 249 2PY -0.03137 -0.01437 -0.01029 -0.04917 0.10223 250 2PZ -0.00508 0.03565 0.02005 0.03815 -0.12675 251 3S -0.16190 -0.01492 -0.12965 -0.40599 0.04548 252 3PX -0.03720 0.05117 -0.19761 -0.11299 -0.04740 253 3PY 0.07527 0.01680 -0.02597 0.04978 -0.20585 254 3PZ 0.12850 -0.04181 0.07909 0.21306 0.07046 255 4XX 0.00737 -0.08080 0.14134 0.20726 0.19627 256 4YY 0.03329 0.05105 -0.10063 -0.03011 -0.11779 257 4ZZ -0.03280 0.02741 -0.07042 -0.16744 -0.07051 258 4XY -0.06032 0.00416 -0.07006 -0.23070 0.09250 259 4XZ -0.08238 -0.02022 0.09666 0.04355 0.07379 260 4YZ -0.09362 0.01899 0.01403 -0.16578 0.22178 261 27 H 1S -0.08205 0.02866 -0.06733 -0.08233 -0.00169 262 2S 0.00013 -0.00783 -0.00686 0.02776 0.01024 263 28 H 1S 0.13891 0.15706 0.16476 0.13534 -0.48469 264 2S 0.14268 0.05923 0.12502 0.22116 -0.29232 211 212 213 214 215 V V V V V Eigenvalues -- 2.52617 2.57069 2.61012 2.61944 2.63100 1 1 C 1S -0.01602 -0.03912 -0.02883 0.01517 -0.04101 2 2S 0.06637 -0.38403 -0.39122 0.07328 -0.30868 3 2PX 0.04934 -0.07261 -0.00444 0.04473 0.04237 4 2PY -0.11565 -0.06581 0.00863 0.06580 0.01092 5 2PZ 0.14616 0.06068 0.00021 -0.02057 -0.04743 6 3S 0.67266 2.12558 1.96304 -0.55760 2.02297 7 3PX -0.20324 -0.70866 0.27115 0.84511 0.30565 8 3PY 0.98784 -0.82785 -0.69700 0.97072 -0.16257 9 3PZ -0.19611 -0.35369 -0.35405 -0.18646 -0.43278 10 4XX -0.17344 -0.21199 0.10424 -0.00421 0.09832 11 4YY 0.09584 0.10838 -0.03763 -0.19616 -0.07052 12 4ZZ 0.09244 0.15760 0.00464 0.18205 -0.00434 13 4XY -0.02455 0.12589 0.16130 -0.10107 0.10789 14 4XZ -0.21151 0.02268 -0.09805 -0.18686 0.01889 15 4YZ 0.28631 0.15369 -0.00958 -0.00255 0.06773 16 2 C 1S 0.01123 -0.00180 0.02807 0.00101 0.01325 17 2S -0.05023 -0.09249 0.11243 0.07769 0.12463 18 2PX 0.03595 0.01361 0.08661 0.07219 -0.02605 19 2PY 0.10036 -0.02782 0.00296 0.00059 -0.01270 20 2PZ 0.03605 0.08501 0.00815 -0.01142 -0.01326 21 3S -0.38296 0.24688 -0.67935 0.30487 -0.72731 22 3PX 0.43828 -0.16781 0.58890 1.41435 0.90219 23 3PY -0.69540 0.69661 0.62764 -0.73423 0.22371 24 3PZ 0.21407 -0.21176 -0.53015 -0.54461 -0.66323 25 4XX 0.17078 -0.14559 0.12507 0.08468 -0.10648 26 4YY -0.02170 0.04165 -0.03736 -0.03128 0.05729 27 4ZZ -0.11137 0.10999 -0.05602 -0.06806 0.04387 28 4XY 0.13909 -0.03454 -0.00968 -0.08132 -0.01574 29 4XZ 0.11836 -0.11797 0.01582 -0.04190 0.11424 30 4YZ -0.02255 0.13047 0.20516 0.07562 0.01277 31 3 C 1S 0.00102 0.00047 0.00212 0.01270 0.00470 32 2S 0.02258 0.00035 -0.05342 0.06850 0.01984 33 2PX -0.00867 0.03156 0.00569 0.02261 -0.02045 34 2PY -0.00432 0.04621 -0.05706 -0.09433 0.02864 35 2PZ 0.00628 -0.00016 0.02363 0.06460 -0.07898 36 3S -0.44279 0.21908 0.32204 -0.95162 -0.25356 37 3PX -0.13945 -0.23865 -0.56003 0.48874 -0.09632 38 3PY -0.32951 0.05841 -0.70489 -1.30291 -0.29949 39 3PZ 0.03476 0.25389 0.52259 0.27957 0.12825 40 4XX 0.19520 -0.06008 0.25004 0.06423 -0.07411 41 4YY -0.08343 0.01236 0.09623 -0.07014 0.03689 42 4ZZ -0.09955 0.04526 -0.34116 -0.00413 0.04656 43 4XY -0.03305 -0.04448 0.22890 0.08914 0.03511 44 4XZ 0.17776 -0.04108 0.25706 0.11120 -0.05927 45 4YZ -0.11303 -0.00590 0.26310 -0.13108 0.12510 46 4 C 1S -0.00491 0.00025 -0.00755 -0.00172 0.00257 47 2S -0.06842 0.02516 -0.06975 -0.07066 0.03524 48 2PX -0.02726 -0.01368 -0.08979 -0.00468 -0.03993 49 2PY 0.02846 -0.01416 0.02260 0.03964 -0.01365 50 2PZ -0.02017 0.01773 -0.05873 0.00286 -0.02645 51 3S 0.25866 0.19651 0.61171 0.31160 0.28176 52 3PX -0.25385 0.02413 -0.34835 -0.39474 0.12868 53 3PY 0.04577 -0.13600 -0.15614 0.04405 -0.21100 54 3PZ 0.19069 -0.12427 0.00184 0.02597 -0.05916 55 4XX 0.08737 -0.05056 0.20920 0.17221 -0.22879 56 4YY 0.01644 0.04578 0.06284 -0.02869 0.04049 57 4ZZ -0.11386 0.01492 -0.29664 -0.15373 0.20684 58 4XY 0.04747 0.00979 0.16662 0.08876 -0.03255 59 4XZ 0.07571 -0.04242 0.09369 0.05428 -0.25792 60 4YZ -0.09236 0.14587 0.13803 0.07876 0.18423 61 5 C 1S -0.00613 0.00049 -0.00448 0.00358 0.00435 62 2S -0.02844 -0.01290 0.00327 0.07411 0.02237 63 2PX -0.02417 0.03003 -0.02390 -0.02040 0.02591 64 2PY 0.00886 0.00857 -0.05719 -0.06162 0.00339 65 2PZ -0.02583 0.01706 -0.04155 0.01967 0.02886 66 3S 0.19212 -0.15128 0.03914 0.01538 -0.33036 67 3PX -0.14942 0.13438 -0.01723 0.10141 0.16422 68 3PY 0.01056 0.00824 0.08086 0.23047 -0.03814 69 3PZ -0.17579 0.17431 0.07335 0.04796 -0.02719 70 4XX 0.12573 -0.14858 -0.11039 -0.03973 -0.14408 71 4YY 0.14401 -0.06724 0.13152 -0.07733 0.11219 72 4ZZ -0.27667 0.20308 -0.01993 0.13515 0.02705 73 4XY 0.11159 -0.10028 -0.00284 -0.15848 0.12050 74 4XZ 0.12444 -0.15570 -0.12786 -0.01172 -0.17985 75 4YZ 0.19835 -0.17336 0.21579 -0.15336 0.33933 76 6 C 1S -0.00273 -0.00023 0.00256 0.00383 0.00143 77 2S -0.03299 -0.01497 0.02184 0.03857 -0.00484 78 2PX 0.00499 -0.00099 -0.03877 -0.04666 0.03956 79 2PY -0.02466 -0.00670 -0.04213 -0.00508 0.02680 80 2PZ 0.04417 -0.03040 0.01652 -0.02817 0.06142 81 3S 0.03714 0.03332 -0.12268 0.04819 0.05574 82 3PX 0.06333 -0.10807 0.01678 -0.01661 -0.01652 83 3PY 0.05603 0.00886 -0.01850 -0.04682 0.06701 84 3PZ 0.24321 -0.21553 -0.15594 -0.16924 0.04998 85 4XX -0.14670 0.10870 0.32471 0.19033 -0.08415 86 4YY 0.09654 -0.06583 0.03655 -0.11815 0.05077 87 4ZZ 0.03134 -0.04617 -0.34965 -0.03374 0.03926 88 4XY 0.12412 -0.08046 0.17393 -0.06089 0.01485 89 4XZ -0.24495 0.19465 0.29182 0.14964 -0.05029 90 4YZ 0.29304 -0.27000 0.21857 -0.12108 0.09240 91 7 C 1S 0.00388 -0.00030 0.00512 0.00223 -0.00056 92 2S -0.00039 0.03210 -0.00314 -0.04137 0.02842 93 2PX -0.04035 0.00493 0.02624 0.01369 0.01764 94 2PY 0.00126 0.01784 -0.00784 -0.03503 0.02680 95 2PZ 0.02041 -0.00872 0.08615 -0.00040 0.02872 96 3S -0.06833 -0.08101 -0.15032 0.11449 -0.05630 97 3PX -0.01966 0.10590 0.26542 0.03240 0.02892 98 3PY -0.03295 0.00126 0.04999 0.09191 -0.03511 99 3PZ -0.15829 0.16683 0.10336 0.10659 0.03182 100 4XX -0.11558 0.06026 0.09045 0.07579 -0.22319 101 4YY -0.07126 0.05688 0.13806 0.10859 0.03331 102 4ZZ 0.19224 -0.10999 -0.22417 -0.19157 0.19663 103 4XY -0.04971 0.10260 0.16324 0.03635 -0.02282 104 4XZ -0.07619 0.03683 0.20730 0.14691 -0.28835 105 4YZ -0.13918 0.18529 0.20720 0.08926 0.14635 106 8 C 1S 0.00544 -0.00362 0.00971 0.01361 -0.00168 107 2S 0.11010 -0.04934 0.08233 0.08639 -0.02506 108 2PX 0.03482 -0.00204 0.05597 0.00587 -0.02475 109 2PY 0.01765 -0.00984 -0.01012 -0.00539 -0.00447 110 2PZ -0.03672 0.00825 0.04759 0.00518 -0.02136 111 3S -0.25360 0.10351 -0.66990 -0.87553 -0.07862 112 3PX -0.02890 -0.02514 0.05761 -0.23067 0.00466 113 3PY -0.18616 -0.03884 -0.65188 -0.47995 -0.04655 114 3PZ 0.12692 -0.16419 0.00828 0.06527 -0.04938 115 4XX 0.01361 -0.06237 -0.09287 -0.07329 -0.14441 116 4YY -0.06370 0.01223 0.04618 -0.12142 0.14765 117 4ZZ 0.07267 0.05368 0.06564 0.18945 -0.00409 118 4XY 0.01693 -0.00010 0.03814 -0.22575 0.13010 119 4XZ 0.00521 -0.10114 -0.08778 0.08729 -0.18590 120 4YZ 0.00160 -0.08251 0.32595 -0.05152 0.30472 121 9 H 1S 0.02446 -0.04295 0.07640 0.16823 -0.02054 122 2S -0.08694 -0.01508 -0.09361 -0.21955 0.01560 123 10 H 1S 0.00754 0.01130 -0.02098 -0.04548 0.00729 124 2S 0.00201 -0.00024 0.02758 0.01141 -0.01152 125 11 H 1S 0.01927 0.00403 -0.00819 -0.03381 0.01233 126 2S 0.00148 0.01193 -0.00652 -0.00344 0.01296 127 12 H 1S 0.00821 -0.01151 0.03146 0.01237 -0.00340 128 2S 0.00864 -0.00188 0.00729 -0.05384 -0.02800 129 13 H 1S -0.06881 0.02777 -0.01813 0.00532 0.04031 130 2S 0.03512 -0.00665 0.02475 -0.01892 0.01655 131 14 O 1S -0.00816 0.00599 0.00537 -0.00307 0.00497 132 2S -0.11825 0.24944 0.21123 -0.00583 0.00219 133 2PX 0.00999 -0.02941 0.03379 0.06148 0.02541 134 2PY 0.00287 -0.04404 -0.09944 -0.05189 0.02258 135 2PZ 0.04000 0.04810 0.06918 -0.00670 -0.02378 136 3S 0.68143 -0.82883 -0.57253 0.20143 -0.18707 137 3PX -0.08700 0.08350 -0.16178 -0.31513 -0.16171 138 3PY -0.18104 0.16876 0.12272 0.04695 0.05612 139 3PZ 0.00714 -0.18894 -0.11425 0.14824 0.07309 140 4XX -0.12486 0.05204 0.03148 0.01829 0.03662 141 4YY 0.14442 0.15896 0.13534 -0.05812 -0.05787 142 4ZZ -0.06643 -0.12711 -0.04829 0.04828 0.03731 143 4XY 0.13132 -0.03317 0.10303 0.22485 0.03299 144 4XZ -0.03941 0.08974 -0.06369 -0.11067 -0.03458 145 4YZ 0.17508 -0.02308 0.09475 0.01564 -0.05971 146 15 C 1S -0.01280 0.01887 0.00426 -0.01065 0.00462 147 2S -0.04428 0.16454 -0.13214 -0.14455 -0.12333 148 2PX 0.10700 -0.05598 -0.04158 0.08613 -0.05978 149 2PY 0.13199 0.02200 0.01314 -0.03382 -0.07097 150 2PZ 0.02949 -0.01551 -0.02132 0.04777 -0.00896 151 3S 0.01906 -0.96328 -0.02286 0.30950 0.08536 152 3PX -0.16581 -1.28879 -0.69602 1.06760 -0.46761 153 3PY -0.52113 -0.45166 0.17666 0.22269 -0.17846 154 3PZ 0.00274 -1.02166 -0.96530 1.16509 -0.47397 155 4XX -0.18732 -0.05653 -0.04521 -0.03147 -0.08565 156 4YY 0.06251 0.01918 0.08502 -0.14312 -0.22757 157 4ZZ 0.03701 0.05371 0.00227 0.17213 0.35162 158 4XY 0.07863 -0.04475 -0.06748 0.19780 0.22366 159 4XZ 0.05751 -0.14536 0.01212 -0.04493 -0.23330 160 4YZ -0.02565 -0.06769 0.00901 0.06112 -0.07013 161 16 C 1S -0.01367 0.00654 -0.00234 -0.00740 0.00566 162 2S -0.19056 -0.00504 -0.04737 -0.03469 0.04231 163 2PX -0.03507 0.00763 -0.00431 0.01879 0.05019 164 2PY -0.07440 -0.02682 0.01773 -0.02523 -0.03545 165 2PZ 0.02488 0.02558 0.02960 -0.06406 -0.03367 166 3S -0.04663 -0.37573 0.14575 0.43044 -0.33451 167 3PX 0.20746 0.47784 0.25094 -0.31122 0.11152 168 3PY 0.07026 0.09009 0.23200 -0.20039 -0.05589 169 3PZ 0.12171 0.27583 0.22290 -0.41924 0.21048 170 4XX -0.16943 0.00536 0.06501 -0.26346 0.15496 171 4YY 0.14847 -0.08421 0.04987 0.08025 -0.16123 172 4ZZ -0.01597 0.05994 -0.11738 0.21498 -0.00537 173 4XY 0.08602 0.12312 0.01319 -0.02583 0.11050 174 4XZ 0.09602 -0.11633 0.01053 0.05732 -0.10769 175 4YZ -0.03474 0.06369 -0.05120 0.05712 -0.01183 176 17 C 1S -0.00371 0.00030 -0.00179 0.00089 -0.00057 177 2S 0.02856 0.00148 0.02317 0.01418 -0.02407 178 2PX -0.04878 -0.00902 -0.01129 0.00508 0.02785 179 2PY 0.03753 0.01471 0.02773 -0.01431 -0.03269 180 2PZ -0.06802 -0.01621 -0.03332 0.02072 -0.04458 181 3S 0.30577 0.36563 0.27890 -0.46350 0.23064 182 3PX -0.06444 0.02054 0.11885 -0.26020 0.15082 183 3PY 0.13736 0.14431 0.03890 -0.10905 0.05423 184 3PZ 0.06780 0.31134 0.02414 -0.15335 -0.02715 185 4XX -0.04599 0.04360 0.14485 -0.42549 -0.12146 186 4YY 0.14259 0.21000 -0.08362 0.07441 -0.09137 187 4ZZ -0.08702 -0.24470 -0.05440 0.33960 0.21231 188 4XY -0.10228 -0.15743 -0.00883 0.05524 0.16086 189 4XZ 0.10526 0.18056 0.03028 -0.09640 -0.09609 190 4YZ 0.06971 0.09604 -0.06416 0.12273 0.04308 191 18 C 1S 0.01231 0.00191 0.00326 0.00106 0.00200 192 2S 0.11912 0.02896 0.02427 -0.02747 0.02360 193 2PX 0.03230 0.05785 0.00516 -0.05975 0.00037 194 2PY 0.05094 0.00745 0.02467 -0.01151 0.01119 195 2PZ -0.02612 -0.03676 -0.03037 0.04648 0.00475 196 3S -0.24715 0.07188 -0.18061 0.03211 -0.11404 197 3PX -0.01745 0.20024 -0.12101 0.08543 -0.09882 198 3PY -0.13205 -0.18234 -0.05708 0.09836 -0.04916 199 3PZ -0.20818 -0.17138 -0.02027 0.04246 -0.00179 200 4XX 0.28817 0.45855 -0.02665 -0.09393 -0.05982 201 4YY -0.10400 -0.22332 0.09616 -0.13212 -0.24702 202 4ZZ -0.15628 -0.19963 -0.06390 0.19650 0.32240 203 4XY -0.03650 0.08565 -0.02958 0.05687 0.24809 204 4XZ -0.09759 -0.07163 0.02638 -0.10989 -0.16872 205 4YZ -0.00226 -0.23214 0.07968 -0.01333 0.00400 206 19 C 1S 0.00984 0.00713 0.00503 -0.00322 0.00256 207 2S 0.12132 0.03325 -0.00292 0.04725 0.02080 208 2PX -0.02123 -0.02159 0.01600 -0.03569 -0.04116 209 2PY -0.05991 0.01226 -0.01015 0.00755 0.00587 210 2PZ 0.02373 0.01829 -0.02371 0.05461 0.03868 211 3S -0.17455 0.00901 0.17870 -0.34302 0.10239 212 3PX -0.22062 -0.19274 0.05995 -0.18401 0.00959 213 3PY 0.09269 0.16127 -0.14396 0.03854 -0.02876 214 3PZ -0.09406 0.10196 0.05330 -0.08782 0.05239 215 4XX -0.05335 -0.00162 0.09787 -0.27913 0.15007 216 4YY -0.10944 -0.31216 -0.00821 0.17600 -0.15501 217 4ZZ 0.17952 0.31966 -0.08099 0.10016 0.01533 218 4XY -0.01372 0.22406 -0.11181 0.02720 0.06837 219 4XZ -0.13419 -0.18265 0.00513 -0.03813 -0.07323 220 4YZ 0.00530 -0.02819 -0.04843 0.11436 -0.07243 221 20 C 1S -0.00505 0.01518 0.01213 -0.02148 0.00504 222 2S -0.03916 0.08808 0.08390 -0.13901 0.00523 223 2PX -0.07067 -0.00803 -0.06354 0.01621 -0.06131 224 2PY -0.01467 0.01356 -0.02548 -0.01442 0.03229 225 2PZ -0.04159 0.00441 -0.04342 0.03482 0.02682 226 3S 0.36498 -0.75017 -0.95560 1.29190 -0.41145 227 3PX 0.08363 0.05134 -0.09324 0.06202 -0.04288 228 3PY -0.03191 0.24252 0.42816 -0.51548 0.22952 229 3PZ 0.02310 -0.37466 -0.39032 0.35736 -0.12652 230 4XX -0.06918 0.00536 0.21131 -0.49300 -0.08520 231 4YY -0.01928 0.02539 -0.09418 0.14687 -0.15015 232 4ZZ 0.10703 -0.01154 -0.09263 0.34829 0.24002 233 4XY 0.04715 -0.12799 -0.01415 0.15023 0.11429 234 4XZ 0.00566 0.00983 -0.03366 0.00043 -0.09288 235 4YZ 0.01495 0.23366 0.01235 -0.03500 0.05574 236 21 H 1S -0.01516 0.12574 0.05093 -0.12786 0.04401 237 2S -0.03070 -0.15057 -0.15811 0.16405 -0.08905 238 22 H 1S -0.02919 -0.02116 -0.00775 0.03241 0.01249 239 2S -0.06407 -0.03520 0.01981 -0.02191 0.00583 240 23 H 1S -0.00467 -0.02938 -0.02459 0.06011 -0.03047 241 2S -0.05347 0.00263 -0.02448 0.01193 -0.01234 242 24 H 1S -0.00206 -0.01365 0.02113 -0.01550 -0.00681 243 2S 0.00700 -0.01621 -0.00204 -0.00543 0.01671 244 25 H 1S -0.06248 0.02320 -0.02809 -0.04100 0.04961 245 2S -0.06611 -0.10351 -0.06663 0.11670 -0.08328 246 26 O 1S -0.00196 0.01176 0.00183 -0.00547 -0.00141 247 2S 0.21671 0.14684 0.05848 -0.13477 0.08121 248 2PX -0.06086 -0.05576 -0.01706 0.01001 -0.00486 249 2PY 0.12206 -0.00459 -0.00779 0.03747 0.00898 250 2PZ -0.08775 -0.01763 -0.01819 0.05347 -0.02063 251 3S -0.16403 -0.55604 -0.37952 0.43784 -0.29868 252 3PX 0.12878 0.33118 0.01340 -0.16727 0.00484 253 3PY -0.28941 0.00232 0.01159 -0.10275 -0.05255 254 3PZ -0.03992 0.10611 0.23976 -0.21224 0.13466 255 4XX 0.02275 -0.10807 0.02866 0.01561 0.08658 256 4YY -0.10144 0.14634 -0.01161 -0.21936 -0.08489 257 4ZZ 0.15274 0.04840 0.01843 0.16036 0.00198 258 4XY 0.23518 0.20801 -0.03363 -0.03142 -0.00040 259 4XZ 0.02626 -0.06226 -0.18330 -0.00596 0.01697 260 4YZ 0.26703 -0.04272 -0.06369 0.08418 0.01276 261 27 H 1S 0.10594 0.15097 -0.15157 -0.09924 -0.02614 262 2S 0.04074 -0.00269 0.02487 0.09800 0.03329 263 28 H 1S -0.41332 -0.14139 0.06794 0.02175 -0.05050 264 2S -0.29134 0.06458 0.10973 -0.11445 -0.03439 216 217 218 219 220 V V V V V Eigenvalues -- 2.63269 2.63545 2.64931 2.69398 2.71119 1 1 C 1S -0.04464 -0.07310 0.01206 -0.03078 0.02781 2 2S -0.34010 -0.77632 0.22379 -0.28534 0.32314 3 2PX 0.03135 -0.05044 0.07010 0.02780 -0.03284 4 2PY -0.01435 -0.05145 -0.01788 0.03356 -0.04979 5 2PZ -0.02148 0.05236 -0.01048 -0.00937 0.10730 6 3S 2.38874 4.44177 -0.76954 1.52695 -1.57018 7 3PX 0.20828 -0.02266 0.46090 -0.55843 -0.40421 8 3PY -0.15511 -0.92022 1.40743 -1.81818 0.65338 9 3PZ -0.53505 -1.01896 -0.06754 0.35859 0.29670 10 4XX 0.05910 0.11636 -0.09668 -0.11999 -0.29929 11 4YY -0.00211 0.05071 -0.16922 0.16460 0.50131 12 4ZZ -0.01667 -0.05594 0.20743 0.01046 -0.23702 13 4XY 0.15763 0.45017 -0.14606 0.07089 -0.17111 14 4XZ -0.03013 -0.16565 -0.19023 0.20300 -0.08571 15 4YZ 0.06495 -0.00890 0.06198 0.12273 -0.17945 16 2 C 1S 0.00775 0.00538 0.02148 0.03763 -0.09013 17 2S 0.04393 -0.31894 0.05802 0.25965 -0.51764 18 2PX -0.00712 0.19652 0.03096 -0.04588 0.04429 19 2PY -0.02468 -0.06479 0.06786 -0.00263 0.02009 20 2PZ -0.02052 -0.08103 -0.00099 0.15425 0.04915 21 3S -0.26411 1.43154 -0.21515 -2.41712 3.92731 22 3PX 1.25832 2.16642 0.86860 -1.92603 0.98819 23 3PY -0.07381 -0.30528 -0.96222 2.16432 -1.96654 24 3PZ -0.69027 -1.19796 -0.09572 0.37253 0.36924 25 4XX -0.01458 0.25389 0.16173 -0.05463 0.02129 26 4YY 0.01608 -0.07218 -0.09461 0.05625 0.32664 27 4ZZ 0.00206 -0.05600 -0.00075 0.00696 -0.40225 28 4XY -0.06073 -0.18881 0.07419 0.25066 -0.17584 29 4XZ 0.11337 0.04191 0.08186 0.15498 -0.22678 30 4YZ 0.04444 0.16458 0.15394 0.05229 -0.31796 31 3 C 1S 0.01034 0.02501 0.00726 -0.01851 0.00417 32 2S 0.03825 0.10788 0.05251 -0.08148 0.09932 33 2PX 0.04885 0.00165 -0.02502 -0.02592 0.10738 34 2PY 0.03057 -0.13199 -0.04597 0.10593 0.01019 35 2PZ 0.03465 0.02077 0.02876 0.00410 -0.04779 36 3S -0.55657 -0.79701 -1.08719 1.32474 0.03685 37 3PX 0.15737 1.02970 0.03617 -2.20147 3.44048 38 3PY -0.80925 -2.55906 -0.68579 2.42125 -1.96877 39 3PZ 0.13821 0.23629 0.25450 0.42463 -1.00557 40 4XX -0.01436 -0.19634 -0.00739 0.14862 0.09526 41 4YY -0.00392 -0.07706 -0.11651 -0.08876 -0.08668 42 4ZZ 0.02811 0.29316 0.10846 -0.06547 0.01179 43 4XY 0.04844 0.08200 -0.10427 -0.21571 0.17325 44 4XZ 0.02895 -0.08865 0.01784 0.13305 0.04184 45 4YZ 0.01403 -0.10757 -0.28720 -0.16573 -0.16095 46 4 C 1S 0.00319 0.00461 -0.00861 -0.01429 0.04402 47 2S 0.01864 -0.00952 -0.11616 -0.04161 0.28990 48 2PX -0.01320 -0.03687 0.00501 -0.02201 0.09760 49 2PY 0.01993 0.06531 0.02058 -0.03934 0.03599 50 2PZ 0.04578 0.04429 0.01008 0.02054 -0.05975 51 3S 0.25398 0.01404 0.59271 1.06641 -3.09369 52 3PX 0.04947 -0.35264 -0.51306 0.23993 0.39161 53 3PY -0.07917 0.38129 -0.05529 -0.90462 1.57994 54 3PZ 0.10485 0.07649 0.11836 0.04991 -0.59422 55 4XX 0.24576 -0.01508 -0.07124 -0.02507 -0.02836 56 4YY -0.12550 -0.14770 0.06071 0.18712 -0.18953 57 4ZZ -0.10920 0.14320 0.01288 -0.14724 0.17560 58 4XY -0.04896 -0.05826 0.08737 0.08990 -0.14495 59 4XZ 0.27569 -0.15610 -0.20602 0.03168 0.21484 60 4YZ -0.18590 0.02543 0.10799 -0.02884 0.30902 61 5 C 1S 0.00384 0.00364 -0.00080 -0.00355 0.00408 62 2S 0.03393 0.06700 0.05824 -0.03210 -0.10315 63 2PX -0.00932 -0.00940 -0.00521 0.03436 -0.00554 64 2PY -0.03432 -0.06002 -0.02906 0.03551 0.09208 65 2PZ -0.03652 0.05744 0.06750 -0.01067 -0.00849 66 3S -0.19953 0.23382 0.01838 -0.75425 1.27241 67 3PX 0.07324 -0.06021 0.13700 0.28864 -0.60882 68 3PY 0.00931 0.22670 0.21305 -0.18962 0.07231 69 3PZ -0.15193 -0.00529 0.06942 0.00038 0.29392 70 4XX 0.18926 0.00932 -0.14598 -0.06398 0.08981 71 4YY -0.10608 -0.01685 0.00070 -0.01874 -0.15556 72 4ZZ -0.08347 0.02859 0.15253 0.05649 0.08702 73 4XY -0.05769 -0.13666 -0.11109 0.01552 -0.07176 74 4XZ 0.23706 0.03408 -0.11336 -0.03785 -0.08241 75 4YZ -0.25497 -0.02786 -0.09949 -0.18739 0.09418 76 6 C 1S 0.00347 0.00582 0.00136 -0.00407 -0.00483 77 2S 0.01361 0.05582 -0.00039 -0.07700 0.08730 78 2PX -0.02021 -0.04161 -0.02147 0.02786 -0.00940 79 2PY 0.00219 -0.00677 -0.02388 -0.02676 0.09030 80 2PZ -0.05484 0.03636 0.01707 -0.03042 -0.01513 81 3S 0.00364 -0.17100 0.14909 0.27678 -0.48580 82 3PX 0.02479 0.15783 -0.07303 -0.26164 0.30911 83 3PY 0.03037 -0.03506 0.00922 0.20560 -0.30483 84 3PZ 0.01409 -0.04181 -0.10439 -0.01755 -0.10962 85 4XX 0.00697 -0.03824 0.02709 -0.05209 0.03059 86 4YY 0.00119 -0.11341 -0.15686 -0.02319 0.10795 87 4ZZ 0.01176 0.20810 0.13615 0.02878 -0.10413 88 4XY -0.01839 -0.14616 -0.11266 0.01883 -0.05818 89 4XZ 0.03361 -0.12233 -0.01382 0.04181 -0.00235 90 4YZ 0.02675 -0.08208 -0.22874 -0.16485 -0.05597 91 7 C 1S 0.00127 0.00492 0.00482 -0.00200 -0.00115 92 2S 0.01988 -0.02491 -0.01479 0.05394 -0.02222 93 2PX -0.00042 -0.01954 -0.00391 -0.01106 -0.04366 94 2PY 0.00138 -0.02821 -0.03170 0.00303 0.06172 95 2PZ -0.04291 -0.02235 -0.00628 -0.01487 0.02197 96 3S 0.02399 0.36708 -0.13786 -0.93989 1.41287 97 3PX -0.01025 0.06325 0.07371 0.23137 -0.30641 98 3PY -0.00179 0.23469 -0.05018 -0.44367 0.69914 99 3PZ -0.10056 -0.10312 0.11570 0.07735 0.02150 100 4XX 0.21761 -0.19796 -0.17280 0.03958 0.04334 101 4YY -0.07107 0.08272 0.07969 -0.03092 0.00532 102 4ZZ -0.14013 0.11844 0.08638 -0.02001 -0.01107 103 4XY -0.04213 -0.11989 0.05899 0.12062 -0.12813 104 4XZ 0.26169 -0.08148 -0.13475 -0.04147 0.00866 105 4YZ -0.21325 -0.01333 0.17018 0.03363 0.13768 106 8 C 1S 0.00344 0.02881 0.00640 -0.02566 0.02328 107 2S -0.01265 0.14820 0.06070 -0.10919 0.12477 108 2PX 0.01980 0.00417 0.01067 -0.03135 -0.02815 109 2PY 0.00257 -0.02127 -0.03198 0.03191 0.03745 110 2PZ 0.04198 -0.03070 -0.05924 -0.00842 -0.01889 111 3S -0.38302 -1.83066 -0.32519 1.71091 -1.69648 112 3PX -0.07859 -0.64594 -0.01261 1.12965 -1.70823 113 3PY -0.18531 -0.98153 -0.26137 0.37707 -0.09327 114 3PZ 0.16211 0.40879 -0.13565 -0.67714 0.72296 115 4XX 0.15708 -0.06165 -0.14079 0.02687 -0.16360 116 4YY -0.06255 -0.11468 -0.07697 -0.00174 -0.03595 117 4ZZ -0.08531 0.19771 0.23367 -0.01945 0.16686 118 4XY -0.08241 -0.22058 -0.15265 0.10664 -0.08879 119 4XZ 0.25083 0.19841 -0.11687 -0.20973 0.06777 120 4YZ -0.25467 0.09448 -0.03082 -0.27957 0.05831 121 9 H 1S 0.03160 0.20288 0.07899 -0.16142 0.04248 122 2S -0.09296 -0.49510 -0.01242 0.61135 -0.74460 123 10 H 1S 0.00567 -0.04008 -0.02439 0.01412 0.06078 124 2S 0.00158 0.05399 -0.01854 -0.06897 0.10482 125 11 H 1S -0.00689 -0.04695 -0.00548 0.08487 -0.09501 126 2S 0.00401 -0.01098 0.00328 0.05227 -0.06587 127 12 H 1S -0.00492 0.03349 0.00239 -0.01069 -0.02535 128 2S -0.03551 -0.03991 -0.05176 0.01139 0.09534 129 13 H 1S 0.04957 0.03947 -0.05749 -0.04673 0.14378 130 2S -0.00846 -0.15068 0.03867 0.25845 -0.45239 131 14 O 1S 0.00106 0.00268 -0.00845 0.00182 -0.00084 132 2S 0.02006 0.31720 -0.02726 0.16326 -0.39239 133 2PX 0.04324 0.06881 0.03295 -0.03293 0.00818 134 2PY -0.01790 -0.17001 -0.10494 0.02248 0.19294 135 2PZ -0.00289 0.05081 0.03765 0.05528 -0.11206 136 3S -0.11254 -0.84438 0.60787 -0.67223 0.75070 137 3PX -0.23087 -0.38858 -0.19775 0.26518 -0.12506 138 3PY 0.07399 0.40097 -0.04114 -0.09498 -0.14915 139 3PZ 0.08356 0.04354 0.12575 -0.33697 0.09037 140 4XX 0.00549 -0.01668 0.01186 -0.04871 -0.08794 141 4YY -0.04763 -0.05087 -0.03311 0.30018 0.12300 142 4ZZ 0.05563 0.18724 0.03343 -0.23907 -0.18175 143 4XY 0.03746 0.10160 0.17645 -0.10011 0.04596 144 4XZ -0.05145 -0.10259 -0.08773 -0.00156 -0.03885 145 4YZ -0.04292 -0.07289 0.08805 0.09998 0.10308 146 15 C 1S 0.00428 0.01801 -0.01134 0.00705 -0.00139 147 2S -0.11013 -0.02745 0.02156 -0.06379 0.28446 148 2PX -0.07145 -0.05568 0.06322 -0.03630 0.09413 149 2PY -0.01197 0.07431 0.05814 -0.08501 0.19716 150 2PZ 0.00687 -0.15221 0.10257 -0.02311 -0.04418 151 3S 0.06302 -0.65854 0.08682 0.09860 -0.87071 152 3PX -0.75671 -1.85410 1.05738 -1.16031 0.66895 153 3PY -0.20423 -0.32463 -0.33191 0.01920 0.60865 154 3PZ -0.77773 -1.89969 1.38905 -1.95734 0.19061 155 4XX -0.05427 -0.13792 -0.02726 -0.45144 -0.07242 156 4YY -0.18706 0.16186 0.00254 0.20351 -0.06750 157 4ZZ 0.27401 0.03091 -0.03545 0.29271 0.07243 158 4XY 0.17401 -0.11895 0.01312 -0.08400 0.06655 159 4XZ -0.19222 -0.01604 0.06947 -0.01367 0.03076 160 4YZ -0.08879 -0.02522 0.09356 0.19406 0.04713 161 16 C 1S 0.00319 -0.00169 -0.00677 0.01081 -0.02417 162 2S -0.01387 -0.15237 0.00626 0.13944 -0.21076 163 2PX 0.02614 0.01437 -0.06706 0.03599 -0.01848 164 2PY -0.01454 -0.01021 0.01080 0.02013 0.00316 165 2PZ 0.00283 0.06990 -0.01711 0.00793 0.00149 166 3S -0.32077 -0.19359 0.02598 -0.33775 1.13515 167 3PX 0.26933 0.79267 -0.48811 0.19084 0.26254 168 3PY 0.05383 0.44906 -0.22583 0.21502 0.70732 169 3PZ 0.36217 0.58062 -0.17519 0.57637 -0.28026 170 4XX 0.33214 -0.12076 0.27045 0.02254 -0.07015 171 4YY -0.23085 0.21865 -0.11308 0.20382 0.07436 172 4ZZ -0.11531 -0.11791 -0.13793 -0.25623 0.01088 173 4XY 0.14532 0.02567 -0.04953 -0.16878 -0.01226 174 4XZ -0.13054 -0.00246 0.06646 0.09585 0.09363 175 4YZ -0.16334 0.04326 -0.23651 0.19631 -0.31366 176 17 C 1S -0.00330 -0.00472 0.00213 0.00199 -0.00218 177 2S -0.01416 0.05977 -0.00187 -0.01013 0.06366 178 2PX 0.03933 -0.02377 0.02707 -0.00929 0.04481 179 2PY -0.01869 0.08990 -0.03339 0.00604 0.03426 180 2PZ -0.06503 -0.05555 0.00760 -0.01332 -0.01497 181 3S 0.46016 0.84889 -0.37563 0.39918 -0.07281 182 3PX 0.21498 0.28218 -0.12018 0.34439 -0.00647 183 3PY 0.11518 0.17289 -0.12417 0.03184 -0.17442 184 3PZ -0.02413 0.20937 -0.24813 0.04491 0.10157 185 4XX 0.14463 0.03420 0.29226 -0.00147 0.00306 186 4YY -0.14436 -0.06270 -0.09508 -0.16754 -0.08687 187 4ZZ 0.00449 0.05877 -0.20392 0.17259 0.10110 188 4XY 0.10830 0.03749 -0.04847 0.14837 -0.02509 189 4XZ -0.03263 0.08508 -0.06688 -0.09102 0.00449 190 4YZ -0.07730 0.08559 -0.24038 0.02953 -0.04093 191 18 C 1S 0.00352 0.00447 0.00181 0.00092 -0.00353 192 2S 0.04375 0.06907 -0.01633 0.03489 -0.02937 193 2PX 0.03365 -0.00089 0.01865 -0.01399 -0.00551 194 2PY 0.01217 0.09599 -0.06500 0.04294 0.03259 195 2PZ -0.03455 -0.03296 -0.00359 0.01894 -0.04063 196 3S -0.22978 -0.23889 0.00337 -0.18507 0.24512 197 3PX -0.14694 -0.23777 0.02667 -0.24558 0.08189 198 3PY -0.08332 -0.09041 0.10235 -0.10553 0.12018 199 3PZ -0.06861 -0.13270 0.04990 0.11061 0.05525 200 4XX -0.00252 -0.02915 -0.05180 -0.18051 -0.09306 201 4YY -0.18964 0.19719 0.02491 0.05870 0.04369 202 4ZZ 0.20861 -0.13464 0.00100 0.14593 0.01909 203 4XY 0.20873 0.02465 -0.11978 0.04257 0.07455 204 4XZ -0.14782 0.02250 0.01648 0.03505 -0.11468 205 4YZ 0.00297 0.14241 0.01081 0.14032 -0.05388 206 19 C 1S 0.00487 0.01156 -0.00704 0.00251 0.00088 207 2S 0.00565 -0.06118 0.04274 -0.00599 -0.06328 208 2PX -0.01608 -0.01713 0.04753 0.00927 -0.00121 209 2PY -0.00681 0.01251 -0.04634 0.01252 0.05656 210 2PZ 0.00500 -0.05512 -0.00560 0.01678 -0.04633 211 3S 0.22971 0.46864 -0.15708 0.43893 -0.30417 212 3PX 0.07070 0.16925 0.01528 0.18746 -0.04822 213 3PY -0.07256 -0.08219 0.02330 -0.22043 -0.00149 214 3PZ 0.08521 0.18050 -0.18698 0.11771 -0.13672 215 4XX 0.34967 -0.06012 0.25037 0.03222 0.06568 216 4YY -0.27154 0.03769 -0.02369 0.07921 -0.06729 217 4ZZ -0.06667 0.02388 -0.23557 -0.09011 -0.02452 218 4XY 0.05128 -0.21833 0.03951 -0.14586 -0.03615 219 4XZ -0.10594 0.07166 -0.00989 0.12273 -0.00540 220 4YZ -0.19613 0.08664 -0.18970 0.07557 -0.12571 221 20 C 1S 0.00943 0.03048 -0.02367 0.02315 0.00047 222 2S 0.05378 0.25221 -0.18812 0.10302 0.06487 223 2PX -0.10091 -0.07499 0.00479 -0.04071 -0.02712 224 2PY 0.02527 -0.05011 0.01639 0.03021 -0.00984 225 2PZ 0.01459 -0.09702 0.06846 -0.04228 -0.00078 226 3S -0.77431 -2.01346 1.60427 -1.80488 0.29568 227 3PX -0.03500 -0.01331 0.17038 -0.24626 -0.25607 228 3PY 0.42420 0.87867 -0.42880 0.80229 -0.28462 229 3PZ -0.23277 -0.70336 0.68581 -0.55620 0.06089 230 4XX 0.20864 0.19261 0.21324 0.00036 0.08215 231 4YY -0.21573 -0.16988 -0.04553 -0.25606 -0.03439 232 4ZZ 0.01604 -0.00566 -0.16650 0.26500 -0.04751 233 4XY 0.07046 -0.02079 0.05724 0.11605 0.09847 234 4XZ -0.07636 -0.08963 0.03829 -0.18342 -0.12108 235 4YZ -0.03203 0.34539 -0.41451 0.12938 0.01193 236 21 H 1S 0.05527 0.19193 -0.15780 0.09543 0.02279 237 2S -0.14610 -0.31135 0.15418 -0.26464 0.13750 238 22 H 1S 0.00366 -0.04327 0.00813 -0.00211 -0.05216 239 2S 0.01650 0.02820 -0.02397 0.04269 -0.01403 240 23 H 1S -0.03770 -0.08043 0.06252 -0.05335 0.05330 241 2S -0.03167 -0.04945 0.00393 -0.02166 0.00812 242 24 H 1S 0.00264 0.03926 -0.01392 0.02079 0.02090 243 2S 0.02619 -0.00928 0.00697 -0.00249 -0.04815 244 25 H 1S 0.01426 -0.06415 -0.03147 0.06457 -0.23704 245 2S -0.13182 -0.15066 0.07012 -0.18587 0.24670 246 26 O 1S -0.00013 0.00235 -0.00258 0.01980 0.00446 247 2S 0.08053 0.14798 -0.05524 0.25424 0.04980 248 2PX -0.01295 -0.06807 0.00096 -0.02713 -0.02955 249 2PY 0.02099 0.01078 0.06318 -0.03137 0.00130 250 2PZ -0.02942 -0.07326 0.03039 -0.01889 -0.03149 251 3S -0.29456 -0.61817 0.38547 -1.13607 0.14308 252 3PX -0.01367 0.14420 -0.07302 0.34345 0.12816 253 3PY -0.06571 -0.01127 -0.18777 0.02011 0.02503 254 3PZ 0.18709 0.41243 -0.27978 0.30336 -0.08455 255 4XX 0.09249 0.01617 -0.02418 0.01598 -0.08026 256 4YY -0.08531 0.05116 -0.16399 0.21115 0.32660 257 4ZZ 0.02634 0.00818 0.17185 -0.10975 -0.21615 258 4XY 0.01205 -0.01532 0.07291 0.09535 -0.05891 259 4XZ -0.09420 -0.32718 0.09812 0.07290 0.00597 260 4YZ 0.01757 -0.06586 0.16587 -0.10272 -0.07449 261 27 H 1S -0.11639 -0.18397 0.05552 0.22078 0.21336 262 2S 0.03998 0.03542 0.06859 -0.07559 -0.09294 263 28 H 1S -0.09163 -0.02076 -0.11654 0.02231 -0.24781 264 2S -0.04226 0.09425 -0.30893 0.28871 0.02997 221 222 223 224 225 V V V V V Eigenvalues -- 2.74828 2.80924 2.87331 2.89791 2.91860 1 1 C 1S -0.03287 0.02847 -0.03098 0.04074 -0.03506 2 2S -0.38774 0.25606 -0.54812 0.09011 -0.41493 3 2PX -0.06511 0.01412 -0.06127 -0.05723 -0.05316 4 2PY -0.02421 0.01099 -0.00390 -0.01536 0.01064 5 2PZ 0.00840 0.00339 0.03621 0.09565 0.00174 6 3S 2.02425 -1.22425 2.88199 -1.19403 1.76985 7 3PX -0.36925 -0.16097 0.14133 -0.45525 0.22383 8 3PY 0.00586 0.57238 -0.35953 0.03547 -0.84241 9 3PZ -0.29920 -0.00418 0.10287 -0.02189 0.12529 10 4XX -0.00093 0.30033 0.07005 -0.08403 0.13028 11 4YY -0.39839 -0.03020 0.13979 0.23021 -0.04106 12 4ZZ 0.40647 -0.30542 -0.11926 -0.08897 -0.02316 13 4XY 0.28607 0.12195 -0.13587 -0.33563 0.00999 14 4XZ 0.20890 0.30797 -0.01899 0.23537 0.09416 15 4YZ 0.10062 0.03991 -0.16507 0.23091 0.04924 16 2 C 1S -0.04446 -0.02752 0.01527 0.00816 0.03611 17 2S -0.46127 -0.04278 -0.06062 0.07146 -0.00148 18 2PX 0.07837 -0.09205 0.05793 -0.15325 -0.05371 19 2PY 0.05659 0.00057 0.03833 0.07012 0.03402 20 2PZ -0.07077 0.02317 -0.13549 0.08454 -0.04403 21 3S 2.13763 0.32446 0.20351 0.14323 -0.93193 22 3PX 1.16954 -0.19631 0.88701 -0.94393 -0.20150 23 3PY -1.16978 -0.32930 -0.29460 0.61908 0.38462 24 3PZ -0.24154 0.29515 -0.63720 0.41940 -0.22306 25 4XX -0.08307 0.24970 0.26935 0.15348 0.11997 26 4YY 0.23771 -0.06818 -0.28336 -0.19627 -0.18585 27 4ZZ -0.11979 -0.26199 0.16236 0.08227 0.18334 28 4XY -0.18809 0.16187 0.00732 0.07490 -0.07046 29 4XZ -0.18840 0.15168 0.00721 -0.24137 0.10038 30 4YZ -0.16451 -0.40800 -0.07379 0.22470 0.03712 31 3 C 1S 0.00585 -0.01500 0.03378 -0.06103 -0.02437 32 2S 0.04346 0.00317 0.16388 -0.23025 -0.13150 33 2PX 0.09867 0.01031 -0.09543 0.00585 0.01332 34 2PY -0.02545 0.00575 -0.06140 -0.12923 -0.05650 35 2PZ -0.03512 -0.02879 0.04710 0.02600 0.00829 36 3S -0.06249 0.22112 -1.35789 2.22086 1.10227 37 3PX 2.14041 0.17703 -0.39241 -0.79604 -0.07114 38 3PY -1.40510 0.05423 -1.26659 -0.74863 0.41421 39 3PZ -0.52814 -0.00251 0.58572 0.42055 -0.02672 40 4XX 0.05285 0.23137 -0.13757 -0.14701 0.13712 41 4YY -0.00259 -0.06337 0.09610 0.42546 0.03605 42 4ZZ -0.00328 -0.15109 0.08549 -0.30984 -0.15770 43 4XY 0.14820 -0.05397 0.04769 -0.12910 -0.08691 44 4XZ -0.07851 0.21109 0.24996 -0.24728 -0.09862 45 4YZ 0.03552 -0.36107 -0.03660 -0.06531 -0.05206 46 4 C 1S 0.03409 0.00921 -0.02655 -0.01280 0.03464 47 2S 0.19092 0.05034 -0.11492 -0.11640 0.10915 48 2PX 0.06700 0.02417 -0.10749 0.06499 -0.02921 49 2PY 0.03271 0.00579 -0.02990 -0.02183 0.04365 50 2PZ -0.04235 -0.02477 0.04243 -0.01349 -0.00817 51 3S -1.85501 -0.31906 1.37066 1.02927 -1.06553 52 3PX 0.33585 0.02897 -0.74767 -0.19963 0.06971 53 3PY 0.89505 0.09443 -0.15794 -0.19058 0.39111 54 3PZ -0.37331 -0.15065 0.29534 0.16991 -0.12794 55 4XX 0.00339 -0.02492 0.03129 -0.10807 -0.01614 56 4YY -0.17838 0.07800 0.16226 0.13892 -0.18700 57 4ZZ 0.15578 -0.05245 -0.15667 -0.03061 0.20781 58 4XY -0.14169 0.09349 0.16998 -0.05431 0.11724 59 4XZ 0.17855 0.11940 -0.14093 -0.00607 0.11505 60 4YZ 0.18241 0.14361 -0.09944 -0.09484 0.09997 61 5 C 1S 0.00714 0.00265 -0.00715 0.04247 -0.01755 62 2S -0.02890 0.00488 0.06811 0.20941 0.00486 63 2PX -0.00737 -0.02054 -0.03190 -0.02225 -0.08977 64 2PY 0.05322 0.08220 -0.09058 0.14004 0.06139 65 2PZ -0.01849 0.00795 0.03048 -0.02296 0.02369 66 3S 0.45613 -0.07043 0.28971 -1.80066 0.30050 67 3PX -0.26395 0.05399 0.06755 0.67534 -0.17797 68 3PY 0.12338 0.05929 -0.03170 0.62799 0.14792 69 3PZ 0.08561 0.05533 0.00082 -0.44033 0.04829 70 4XX 0.09148 -0.03720 -0.16233 -0.10663 0.10384 71 4YY -0.11044 -0.05484 0.21210 -0.10211 0.02662 72 4ZZ 0.02800 0.09595 -0.04281 0.20791 -0.10312 73 4XY -0.04167 -0.04310 0.04631 -0.15448 -0.10504 74 4XZ -0.01159 -0.04929 0.00873 0.28099 -0.11407 75 4YZ 0.11037 -0.04348 -0.04284 0.18411 0.03286 76 6 C 1S -0.00576 -0.01373 0.02249 -0.06485 -0.03229 77 2S 0.02975 -0.02897 0.04620 -0.17100 -0.13024 78 2PX -0.01295 -0.02327 -0.00710 -0.12644 -0.13044 79 2PY 0.06415 0.00721 -0.09201 0.03835 -0.09919 80 2PZ -0.00568 -0.00015 0.02109 0.04637 0.07502 81 3S 0.03407 0.38495 -0.77235 2.35237 1.33710 82 3PX 0.07304 -0.19774 0.27392 -0.78385 -0.75414 83 3PY -0.02719 0.07119 -0.15887 0.81892 0.16884 84 3PZ -0.03644 -0.00119 -0.10364 0.18210 0.27224 85 4XX 0.04343 0.03239 0.01209 0.16299 0.31232 86 4YY 0.10842 0.00301 -0.13029 0.20643 -0.12355 87 4ZZ -0.10932 -0.05393 0.11072 -0.36583 -0.17771 88 4XY -0.03538 0.02089 0.10655 -0.08136 -0.03458 89 4XZ -0.00367 -0.05761 0.10823 -0.32222 -0.23386 90 4YZ 0.03449 -0.15391 0.06576 -0.12198 0.01342 91 7 C 1S 0.00288 0.00688 -0.01129 0.02297 0.05590 92 2S 0.04823 -0.00463 -0.09980 -0.01445 0.15388 93 2PX -0.03836 -0.06503 0.01907 -0.20049 -0.01668 94 2PY 0.05160 -0.00604 -0.02689 -0.05406 -0.13851 95 2PZ 0.00685 0.03876 -0.00063 0.09490 0.03307 96 3S 0.41862 -0.17706 0.48542 -1.05038 -2.47435 97 3PX -0.15896 -0.09405 0.30647 -0.33388 -0.04829 98 3PY 0.16242 -0.08892 0.31804 -0.28480 -1.01750 99 3PZ 0.05651 0.12845 -0.16989 0.17054 0.24943 100 4XX 0.07317 -0.06047 -0.04631 -0.19687 -0.07814 101 4YY -0.02373 0.01701 0.16175 0.11818 -0.24268 102 4ZZ -0.03121 0.04612 -0.12245 0.07622 0.27057 103 4XY -0.12706 0.03659 0.08249 -0.21472 -0.00603 104 4XZ 0.06418 -0.00823 0.00663 0.22953 0.28931 105 4YZ 0.04650 0.12055 -0.09928 0.07777 0.15608 106 8 C 1S 0.02174 0.00369 0.01708 0.04482 -0.02388 107 2S 0.13532 0.04809 0.05423 0.12070 -0.17198 108 2PX -0.05948 -0.00852 0.02051 0.00755 0.08374 109 2PY 0.05030 -0.07014 -0.03193 -0.22081 -0.10711 110 2PZ 0.04955 -0.03212 0.00371 0.04528 -0.00343 111 3S -1.18731 -0.17294 -0.84543 -1.62636 1.46973 112 3PX -0.65679 -0.02734 -0.13405 -0.03779 0.76107 113 3PY -0.22764 0.08013 -0.66745 -0.88306 -0.40909 114 3PZ 0.28106 -0.10025 0.13137 0.25593 -0.27995 115 4XX -0.07685 -0.08084 -0.00410 -0.00031 0.24144 116 4YY -0.02387 -0.12198 -0.05885 -0.22639 -0.09770 117 4ZZ 0.08224 0.18658 0.09940 0.19735 -0.11842 118 4XY -0.04866 -0.05265 -0.08264 -0.13233 -0.21699 119 4XZ 0.18653 -0.13728 0.08396 0.24048 -0.13860 120 4YZ 0.08288 -0.06920 0.00910 0.23343 0.02731 121 9 H 1S 0.09682 -0.03698 0.09804 0.21553 -0.00669 122 2S -0.20986 0.17124 -0.26630 -0.12906 -0.04533 123 10 H 1S 0.04054 0.01127 -0.10559 -0.00168 0.17246 124 2S -0.01621 -0.04315 0.13261 -0.04966 -0.26831 125 11 H 1S -0.07278 0.00796 0.09203 -0.16325 -0.10314 126 2S 0.01230 0.03862 -0.10102 0.31213 0.20337 127 12 H 1S -0.00935 -0.00322 0.02333 0.19008 -0.04201 128 2S 0.01919 -0.00894 -0.03858 -0.26632 0.06338 129 13 H 1S 0.13829 -0.01069 -0.18165 -0.10682 0.12835 130 2S -0.28553 0.00414 0.09104 0.02930 -0.12610 131 14 O 1S 0.00727 0.00186 -0.00029 0.00136 -0.00294 132 2S -0.22220 -0.21329 0.12903 0.27667 0.13959 133 2PX 0.02232 0.00460 0.04403 -0.04933 -0.01001 134 2PY 0.11197 0.11344 -0.08798 -0.12864 -0.09161 135 2PZ -0.10205 -0.05223 0.01847 0.12161 0.02900 136 3S 0.25852 0.40393 -0.20705 -0.53472 -0.19530 137 3PX -0.17926 0.02286 -0.21736 0.25676 0.07738 138 3PY 0.03023 -0.13898 0.24644 0.09420 0.13711 139 3PZ 0.15117 0.06695 0.16940 -0.31335 0.06469 140 4XX 0.00396 -0.15956 0.01996 0.09566 -0.01436 141 4YY -0.03525 -0.01768 -0.29832 0.09828 -0.13922 142 4ZZ -0.00639 0.12291 0.31980 -0.09342 0.17814 143 4XY 0.08318 -0.03777 0.07289 -0.05992 -0.11867 144 4XZ -0.01437 -0.05907 -0.04667 0.10380 0.06270 145 4YZ -0.01142 0.01827 -0.08728 0.11544 -0.08005 146 15 C 1S 0.00273 -0.02798 -0.03113 -0.02026 0.03315 147 2S -0.05948 -0.24075 0.12740 -0.02758 -0.02409 148 2PX -0.06197 -0.10087 0.05252 -0.00435 0.00107 149 2PY -0.16202 -0.06329 0.04845 0.01636 0.00989 150 2PZ 0.04063 -0.09528 -0.00308 -0.00170 0.01216 151 3S 0.37719 2.13137 0.37667 0.76487 -0.72891 152 3PX -1.06228 -0.28147 -1.30623 -0.13743 -0.59504 153 3PY -1.61854 -0.54514 -0.46554 -0.85211 0.60001 154 3PZ -0.15471 0.13637 -1.09564 0.38044 -1.10178 155 4XX -0.17167 0.26737 -0.02104 -0.12619 0.05880 156 4YY 0.23374 -0.12719 -0.01336 0.15015 -0.08446 157 4ZZ -0.05930 -0.14441 -0.03903 -0.05788 0.09463 158 4XY 0.03180 0.09862 0.11588 0.10934 -0.18324 159 4XZ -0.02383 0.13865 0.14118 0.06829 -0.06686 160 4YZ 0.01479 -0.18954 -0.21051 0.02811 0.09363 161 16 C 1S 0.03408 0.01845 0.01252 0.02299 -0.05136 162 2S 0.16273 0.14169 -0.01152 0.04077 -0.20919 163 2PX -0.04616 0.03183 -0.07347 -0.03701 -0.04718 164 2PY -0.09211 -0.01172 -0.13418 -0.06668 0.01318 165 2PZ 0.05127 0.01583 -0.01108 0.03587 -0.05673 166 3S -2.12262 -1.31695 -0.59883 -1.10683 1.92293 167 3PX 0.05105 -0.07870 0.54079 -0.09220 -0.09774 168 3PY -0.68675 -0.67193 0.02461 -0.51166 0.38483 169 3PZ 0.73019 0.32003 0.52712 0.23120 -0.49796 170 4XX 0.20418 0.06645 -0.00671 0.02321 -0.06843 171 4YY -0.06388 -0.13102 -0.07750 0.03854 0.01339 172 4ZZ -0.18485 0.01340 0.10643 -0.05179 0.07513 173 4XY -0.07966 0.09314 -0.04065 -0.08179 0.20860 174 4XZ -0.09499 -0.14772 -0.02226 -0.06881 0.38200 175 4YZ 0.33152 0.17562 0.07429 0.17543 -0.06520 176 17 C 1S -0.00126 0.00566 0.01656 0.00286 0.03007 177 2S -0.10872 -0.02917 0.05501 -0.01013 0.07672 178 2PX -0.00600 0.00692 0.07290 0.04571 -0.13441 179 2PY -0.03219 -0.02045 0.00034 -0.01367 -0.07257 180 2PZ 0.03751 0.02398 0.08613 0.04513 -0.10880 181 3S 0.69619 0.05656 -0.05373 -0.07832 -0.73598 182 3PX 0.26528 0.09401 0.13390 0.03464 -0.28557 183 3PY 0.33428 0.20944 -0.14837 0.03105 -0.34155 184 3PZ -0.01890 0.03978 0.32059 0.04150 -0.05325 185 4XX 0.11295 0.06076 -0.02633 -0.06353 -0.04570 186 4YY 0.05712 0.02872 -0.01819 0.05353 -0.14508 187 4ZZ -0.17217 -0.08314 0.05765 0.01615 0.14520 188 4XY 0.13721 0.03808 -0.03610 0.12092 -0.26199 189 4XZ -0.04605 0.00091 -0.10262 -0.07792 -0.12731 190 4YZ 0.02468 0.17708 0.15183 0.10636 0.04606 191 18 C 1S -0.00148 -0.01492 -0.03276 -0.01575 0.03529 192 2S 0.05991 -0.00574 -0.05045 -0.03446 0.10972 193 2PX 0.03398 0.04079 0.05055 0.02947 -0.03882 194 2PY -0.02522 0.00728 0.05284 0.00202 -0.16848 195 2PZ 0.06809 0.02835 0.01940 0.03633 0.08941 196 3S -0.12973 0.19554 0.96897 0.54568 -1.43535 197 3PX -0.20021 0.01537 0.29545 0.18068 -0.50091 198 3PY -0.06312 -0.00086 0.19162 0.20727 -0.77314 199 3PZ -0.11321 -0.05586 0.18431 0.06950 -0.02598 200 4XX 0.01249 0.07719 -0.08378 -0.03160 0.09686 201 4YY 0.03738 -0.02902 0.01222 -0.03907 -0.30681 202 4ZZ -0.01034 -0.01100 0.04914 0.08434 0.20680 203 4XY -0.05076 0.14500 0.21332 0.16191 -0.26476 204 4XZ 0.16462 0.15248 0.09919 0.03148 -0.02098 205 4YZ 0.08422 -0.00819 -0.16552 -0.04808 0.11607 206 19 C 1S 0.00219 -0.00069 0.01975 0.01248 -0.06443 207 2S 0.05218 -0.05719 0.02068 0.07801 -0.19092 208 2PX 0.01790 0.00040 0.05597 0.02001 0.03469 209 2PY -0.04935 0.02477 0.11977 0.03370 -0.09278 210 2PZ 0.03819 -0.00900 -0.01573 0.00274 0.12284 211 3S 0.51036 0.35229 -0.17358 -0.51195 2.83777 212 3PX 0.27931 0.25071 0.07620 -0.01861 0.51708 213 3PY 0.17835 0.15237 0.25002 0.21068 -0.59495 214 3PZ 0.09530 0.26259 -0.06176 -0.22042 1.11678 215 4XX 0.05035 0.07926 0.13442 0.16135 -0.10512 216 4YY 0.07490 -0.13303 -0.16334 -0.09319 0.07578 217 4ZZ -0.09870 0.05761 0.03375 -0.07599 0.07869 218 4XY 0.00713 0.06752 -0.06830 0.04311 0.21694 219 4XZ 0.03710 0.05421 -0.09996 -0.09464 0.33732 220 4YZ 0.16339 0.12386 0.06238 0.05412 -0.29334 221 20 C 1S -0.00356 0.01826 0.01811 -0.00350 0.04273 222 2S 0.01434 0.10114 0.08226 -0.01085 0.25713 223 2PX 0.06648 0.03098 -0.10779 0.01312 0.09041 224 2PY 0.01248 0.03914 0.00624 0.00950 0.03219 225 2PZ 0.03716 -0.02621 -0.12266 0.02713 0.09459 226 3S -0.24497 -0.96461 -1.16484 0.42831 -2.51500 227 3PX 0.47104 0.17450 0.22371 0.03008 0.49028 228 3PY 0.45872 0.41221 0.69237 0.00827 1.07170 229 3PZ 0.33296 -0.19369 -0.33198 0.13069 -0.24753 230 4XX -0.00666 0.09820 0.12956 0.06464 0.03906 231 4YY -0.12587 -0.06190 0.00691 -0.01529 -0.19630 232 4ZZ 0.08563 -0.10027 -0.13958 -0.05701 0.14819 233 4XY -0.02145 -0.14124 -0.00702 0.04342 -0.35260 234 4XZ 0.05141 0.03823 -0.08212 -0.02608 -0.11344 235 4YZ -0.03914 0.19235 0.13135 -0.04208 0.01761 236 21 H 1S 0.00349 0.11881 -0.01652 -0.03401 0.14162 237 2S -0.12886 -0.13883 -0.21959 -0.03818 -0.27419 238 22 H 1S 0.07335 0.03648 0.03412 0.07728 -0.18950 239 2S -0.01973 0.05196 -0.05861 -0.08917 0.36439 240 23 H 1S -0.09594 -0.14216 -0.07163 -0.05156 0.04415 241 2S -0.02462 0.05150 0.09950 0.08186 -0.18714 242 24 H 1S -0.05623 0.05782 0.03906 -0.02401 0.12986 243 2S 0.07561 0.04583 -0.08940 0.01797 -0.16309 244 25 H 1S 0.20599 0.17929 -0.10484 0.10969 -0.19579 245 2S -0.24525 -0.22326 -0.09214 -0.11422 0.16739 246 26 O 1S 0.03360 -0.02538 0.03444 -0.00548 0.01080 247 2S 0.20569 -0.26874 0.48929 -0.18678 0.20051 248 2PX -0.03488 0.06035 -0.04883 0.02188 -0.00754 249 2PY 0.04999 0.03208 0.03083 0.00284 0.01984 250 2PZ 0.05109 -0.01264 -0.02195 0.00515 -0.00129 251 3S -0.83500 0.99503 -1.63431 0.59909 -0.87412 252 3PX 0.38913 -0.45566 0.53757 -0.15707 0.17812 253 3PY -0.29032 0.01309 -0.26642 0.08381 -0.15996 254 3PZ -0.16634 -0.05487 0.12386 -0.06273 0.17282 255 4XX -0.08793 0.15996 -0.10685 0.09729 0.02219 256 4YY 0.08699 -0.31670 0.51947 -0.04187 0.09522 257 4ZZ 0.19120 0.01785 -0.23708 -0.07931 -0.07870 258 4XY 0.18179 -0.17820 0.05730 -0.07798 -0.00146 259 4XZ 0.47138 -0.07795 0.57522 -0.02724 0.22999 260 4YZ 0.25950 0.11843 -0.02706 -0.00871 0.04236 261 27 H 1S 0.55125 -0.42614 0.83960 -0.16132 0.25936 262 2S 0.05720 0.01177 -0.09120 -0.01737 -0.05429 263 28 H 1S 0.13243 0.05012 -0.20867 -0.15916 -0.00228 264 2S -0.22303 -0.12228 -0.07925 0.11713 0.10608 226 227 228 229 230 V V V V V Eigenvalues -- 2.92616 2.93038 2.94502 2.96788 2.98929 1 1 C 1S -0.03880 -0.00719 -0.03470 0.05346 -0.02747 2 2S -0.35246 -0.12371 -0.27434 0.25205 -0.00356 3 2PX -0.07944 0.06543 0.03575 -0.12676 0.07949 4 2PY -0.01631 0.01338 0.04210 -0.05523 -0.10207 5 2PZ -0.05062 0.08119 -0.06876 0.08704 0.12877 6 3S 1.88721 0.32292 1.87299 -1.93774 0.63308 7 3PX -0.23088 0.36980 0.45879 -0.66823 0.06318 8 3PY -0.51222 -0.11378 -0.75672 0.50256 -0.40554 9 3PZ -0.18950 -0.07884 0.13233 0.04934 0.12784 10 4XX 0.17783 0.09228 0.29675 -0.08709 0.10963 11 4YY 0.00484 -0.06562 -0.20379 0.18511 -0.11732 12 4ZZ -0.16738 0.03728 -0.09712 -0.08805 0.03972 13 4XY 0.09116 -0.17123 0.13061 -0.12220 -0.12731 14 4XZ 0.10690 -0.13079 -0.01421 0.31462 -0.02470 15 4YZ -0.00734 -0.10792 -0.21938 0.17914 -0.03402 16 2 C 1S 0.01638 0.02674 0.03952 -0.06964 0.03037 17 2S -0.03978 0.09485 0.27361 -0.26458 -0.06226 18 2PX -0.01563 0.03489 0.08792 -0.00581 -0.09267 19 2PY 0.03701 0.04994 0.09507 -0.03681 0.15055 20 2PZ -0.04074 -0.00327 -0.00922 0.08054 -0.09402 21 3S -0.39697 -0.97223 -1.32284 2.69390 -0.88795 22 3PX -0.09130 -0.23794 0.42320 -0.06350 -0.89634 23 3PY 0.18319 0.26994 0.87906 -1.07243 0.43234 24 3PZ -0.12910 0.00068 -0.41387 0.66289 0.19472 25 4XX 0.15905 -0.02125 0.01561 0.18625 0.08297 26 4YY -0.08800 0.12669 0.36273 0.02170 -0.07727 27 4ZZ 0.00188 -0.07417 -0.33746 -0.29732 0.08351 28 4XY 0.04856 0.03110 0.32151 -0.10054 -0.34135 29 4XZ 0.12443 0.01831 -0.02518 -0.44053 0.31791 30 4YZ -0.00332 0.23215 0.30827 0.06810 -0.02448 31 3 C 1S -0.01129 -0.00443 -0.01091 0.03861 0.01268 32 2S -0.05582 -0.07419 -0.04928 -0.01419 -0.22513 33 2PX 0.00485 0.01773 0.06943 -0.00764 0.06447 34 2PY -0.01170 -0.02589 0.04798 -0.10024 0.04738 35 2PZ -0.00407 0.00789 -0.01785 0.03662 -0.05853 36 3S 0.59402 0.28947 0.66357 -0.36598 0.64626 37 3PX -0.01594 0.02646 -0.84291 1.24580 -0.43592 38 3PY 0.15366 1.21292 -0.19825 -1.13806 1.13746 39 3PZ 0.01626 -0.30639 0.32754 -0.36841 -0.04541 40 4XX 0.10990 0.11016 0.07036 -0.23398 0.33234 41 4YY 0.01297 -0.11502 0.08262 0.08695 -0.19494 42 4ZZ -0.10007 -0.00742 -0.11839 0.20749 -0.11242 43 4XY -0.03011 -0.01228 0.14718 0.05207 -0.29840 44 4XZ 0.01335 -0.11528 -0.06428 0.16641 0.20200 45 4YZ -0.05962 0.14042 0.18187 0.14093 0.24572 46 4 C 1S 0.02050 0.04719 -0.01023 0.01289 -0.02101 47 2S 0.07574 0.21041 -0.07335 0.21367 -0.04897 48 2PX -0.02715 -0.07126 0.07569 -0.17961 -0.09902 49 2PY 0.02634 0.06169 0.00359 0.01445 0.01183 50 2PZ 0.00159 0.02915 -0.01329 0.09349 0.02410 51 3S -0.67420 -1.92587 0.99970 -2.05264 0.22225 52 3PX 0.00483 0.08704 0.09490 -0.53279 0.40003 53 3PY 0.29561 0.65182 -0.52689 1.49891 -0.40631 54 3PZ -0.08784 -0.15528 0.14651 -0.09336 -0.08998 55 4XX -0.00159 0.08408 0.07254 0.08400 0.28892 56 4YY -0.07264 -0.36894 0.10383 -0.18081 -0.09509 57 4ZZ 0.07885 0.27906 -0.18917 0.08010 -0.27125 58 4XY 0.10052 0.16993 -0.09636 0.18828 -0.22628 59 4XZ 0.11980 0.15765 0.21556 -0.03708 0.04802 60 4YZ 0.03935 0.04783 -0.14760 -0.08189 0.09482 61 5 C 1S -0.01441 -0.04919 0.02386 -0.06620 0.00298 62 2S -0.01340 -0.13141 0.03539 -0.21492 -0.04426 63 2PX -0.05906 -0.10706 0.05248 -0.09480 0.13858 64 2PY 0.04187 -0.01752 0.07733 -0.18997 -0.16363 65 2PZ 0.01840 0.04783 -0.03821 0.07549 -0.01742 66 3S 0.37791 1.66809 -1.20742 3.84983 -0.33649 67 3PX -0.18526 -0.73556 0.41829 -1.49916 -0.07076 68 3PY 0.02577 -0.18285 0.19915 -0.71809 -0.06321 69 3PZ 0.08745 0.33360 -0.24374 0.77099 0.04997 70 4XX 0.05507 0.26077 0.05466 0.03375 -0.03525 71 4YY 0.02804 0.05110 -0.20620 0.34050 -0.04790 72 4ZZ -0.06892 -0.26350 0.12683 -0.32401 0.01712 73 4XY -0.07322 -0.06621 -0.08710 0.03892 -0.22074 74 4XZ -0.05712 -0.24091 0.23549 -0.19762 0.13909 75 4YZ -0.06562 -0.18069 -0.22151 -0.25870 -0.08383 76 6 C 1S -0.01353 -0.00013 -0.01717 0.07419 0.02562 77 2S -0.05105 -0.02745 -0.05169 0.28469 -0.01668 78 2PX -0.07772 -0.10010 0.02711 0.00291 0.13139 79 2PY -0.07776 -0.14599 0.07716 -0.19905 0.06734 80 2PZ 0.04836 0.07428 -0.02860 0.04188 -0.07059 81 3S 0.47718 0.16719 0.60885 -3.60451 -0.71871 82 3PX -0.33317 -0.39153 -0.11410 1.30227 0.51432 83 3PY 0.04139 -0.37613 0.47307 -1.49292 -0.03132 84 3PZ 0.11299 0.25516 -0.03586 -0.21912 -0.21793 85 4XX 0.12885 0.24241 -0.23629 -0.01188 -0.19479 86 4YY -0.10554 -0.33835 0.11563 -0.43063 0.09005 87 4ZZ -0.02516 0.10782 0.11130 0.43390 0.15932 88 4XY -0.00869 -0.03778 -0.10632 0.08159 -0.49894 89 4XZ -0.13466 -0.18463 -0.14224 0.18368 0.16971 90 4YZ -0.05095 0.01639 -0.28059 0.14601 0.06394 91 7 C 1S 0.03017 0.04943 -0.00557 -0.03111 -0.03231 92 2S 0.08020 0.15552 0.01562 -0.26267 0.00595 93 2PX -0.01559 0.07069 -0.07756 0.14074 0.24429 94 2PY -0.07578 -0.13700 0.04382 -0.03467 0.06395 95 2PZ 0.01895 -0.00622 0.00749 -0.04950 -0.11247 96 3S -1.28187 -2.21247 -0.07682 2.51837 0.99630 97 3PX 0.08027 0.00256 0.12711 0.21711 0.13194 98 3PY -0.51513 -1.03548 0.01756 1.26196 0.43267 99 3PZ 0.10505 0.19707 -0.06563 -0.39208 -0.12880 100 4XX -0.11587 -0.06766 -0.20257 -0.04504 0.09180 101 4YY -0.09374 -0.34231 0.08670 0.13238 -0.04262 102 4ZZ 0.18550 0.34454 0.14545 -0.09710 -0.03867 103 4XY 0.02541 0.03485 -0.05471 0.07475 -0.06219 104 4XZ 0.10690 0.10659 -0.23381 -0.15549 -0.34310 105 4YZ 0.09728 0.15734 0.02588 -0.11807 0.04950 106 8 C 1S -0.01409 -0.05546 0.01528 0.00461 -0.00643 107 2S -0.08278 -0.22912 0.04625 0.12838 0.06936 108 2PX 0.04634 0.03933 -0.00086 -0.02307 -0.05297 109 2PY -0.06595 -0.01955 0.01706 -0.00033 0.27246 110 2PZ -0.00344 -0.01251 -0.00201 -0.00063 -0.04316 111 3S 0.78132 2.46766 -0.48957 -1.51742 0.24264 112 3PX 0.40259 1.19193 0.01052 -0.83437 -0.00347 113 3PY -0.30331 0.26068 -0.40391 -0.07573 0.30410 114 3PZ -0.17214 -0.54431 0.08226 0.45243 -0.08877 115 4XX 0.09991 0.25459 -0.08310 -0.05453 -0.29438 116 4YY -0.03668 0.03233 0.06663 0.06388 0.33454 117 4ZZ -0.04549 -0.30642 0.04760 -0.07150 -0.04064 118 4XY -0.10059 -0.11726 0.21295 -0.12589 -0.03973 119 4XZ -0.12987 -0.30679 -0.01059 0.04155 0.01298 120 4YZ 0.03191 0.04994 0.21483 0.13513 0.09616 121 9 H 1S -0.05040 -0.13492 0.03999 0.02839 0.13242 122 2S -0.00398 0.40770 -0.13187 -0.16516 0.00899 123 10 H 1S 0.07681 0.19879 -0.03053 -0.07990 0.03518 124 2S -0.12407 -0.31643 0.05846 0.28658 0.10336 125 11 H 1S -0.02251 -0.03697 0.01962 0.09993 -0.19028 126 2S 0.08068 0.03550 0.08616 -0.48047 -0.02624 127 12 H 1S -0.02414 -0.16776 0.05367 -0.09351 0.13585 128 2S 0.06159 0.26492 -0.12195 0.40847 -0.00760 129 13 H 1S 0.04319 0.20886 -0.05303 -0.04483 0.13133 130 2S -0.07603 -0.15807 0.14275 -0.29310 0.00795 131 14 O 1S -0.00088 0.00475 0.00627 0.00162 0.00332 132 2S 0.10733 0.10749 0.07660 0.02580 0.06097 133 2PX -0.00960 0.01762 0.02429 0.00094 -0.04462 134 2PY -0.04815 -0.05898 -0.01524 -0.04703 -0.01154 135 2PZ 0.01796 0.03502 0.00154 0.02282 0.02532 136 3S -0.18455 -0.15574 -0.39032 0.11872 -0.13189 137 3PX 0.04514 -0.04884 -0.26291 -0.00638 0.41305 138 3PY 0.09161 0.03071 -0.00210 -0.00987 0.04539 139 3PZ 0.00185 -0.11664 -0.21266 -0.10657 -0.08668 140 4XX -0.03457 0.05236 0.08812 -0.04719 0.03737 141 4YY -0.03946 0.14064 0.27451 0.20943 -0.06018 142 4ZZ 0.09103 -0.12108 -0.32158 -0.10440 0.04973 143 4XY -0.04841 0.09221 0.29650 0.08262 -0.46818 144 4XZ 0.00888 0.01284 -0.22935 0.04449 0.25613 145 4YZ 0.01092 0.11995 0.28625 0.11621 0.05421 146 15 C 1S 0.05307 -0.04002 0.00326 0.00732 0.00616 147 2S 0.11570 -0.10333 -0.12558 0.08883 0.10931 148 2PX 0.02898 -0.01698 -0.00779 0.04367 0.03606 149 2PY 0.04514 -0.00920 -0.07252 0.01666 0.03023 150 2PZ -0.00873 0.00979 0.04288 0.00867 0.00739 151 3S -1.45012 0.80147 0.12828 0.23639 -0.54832 152 3PX -0.62631 -0.06259 -0.53556 0.02013 -0.26500 153 3PY -0.84370 -0.34340 0.59616 -0.67172 -0.34876 154 3PZ -0.05355 0.20560 -1.04614 0.53874 0.08355 155 4XX 0.16588 -0.08841 0.22927 0.00147 -0.02377 156 4YY -0.00690 0.12859 -0.08823 0.12380 0.10192 157 4ZZ -0.11944 -0.02033 -0.08460 -0.22406 -0.08531 158 4XY -0.13421 0.17246 -0.04189 -0.04046 -0.05191 159 4XZ -0.29045 0.15871 -0.03719 0.02055 0.01922 160 4YZ 0.11761 -0.17984 -0.10548 0.19123 0.00756 161 16 C 1S 0.03637 0.02410 -0.01482 0.00011 -0.00067 162 2S 0.25115 0.04053 -0.06193 0.03000 0.00350 163 2PX 0.11433 -0.07142 -0.01089 0.03356 -0.03052 164 2PY 0.13918 -0.13585 -0.01676 0.02519 -0.03616 165 2PZ 0.01989 0.00012 -0.03052 0.03844 -0.01281 166 3S -2.28721 -0.32741 0.74110 -0.91341 0.01855 167 3PX 0.91019 -0.24991 0.18624 -0.00421 -0.10441 168 3PY 0.02302 -0.36273 0.22161 -0.26831 -0.12510 169 3PZ 1.04892 0.02810 -0.02205 0.15332 -0.05254 170 4XX -0.09411 0.04998 -0.04738 -0.10868 -0.05146 171 4YY 0.22358 -0.09755 -0.06679 0.16340 0.05161 172 4ZZ -0.12368 0.06906 0.12433 -0.11528 0.00059 173 4XY -0.00945 -0.13030 0.08760 0.04151 0.00468 174 4XZ -0.39047 -0.06366 0.12184 0.01190 0.04212 175 4YZ 0.01299 0.12052 0.02180 0.16991 0.09785 176 17 C 1S -0.08234 0.02777 0.00770 -0.00980 0.01095 177 2S -0.24899 0.11349 0.01191 -0.10907 0.01573 178 2PX -0.03385 0.10728 -0.05065 -0.04096 -0.00744 179 2PY 0.17106 -0.02858 -0.02428 -0.01969 -0.02302 180 2PZ -0.17378 0.16189 -0.03439 -0.04957 0.01538 181 3S 3.82752 -1.52070 -0.03472 0.78378 -0.41403 182 3PX 0.48034 -0.09585 -0.05409 0.17540 -0.07365 183 3PY 1.56933 -0.66368 -0.03252 0.45425 -0.18507 184 3PZ -0.61281 0.38303 0.00234 -0.12265 0.04977 185 4XX -0.26048 0.07096 -0.07651 -0.14477 -0.07585 186 4YY 0.22077 0.00915 -0.05163 0.05763 0.02989 187 4ZZ 0.10004 -0.07308 0.10114 0.08593 0.04723 188 4XY 0.28013 -0.00163 -0.11849 0.17322 0.01102 189 4XZ 0.36306 -0.15815 -0.01282 -0.02370 -0.09997 190 4YZ -0.37509 0.17490 0.02559 0.10635 0.05831 191 18 C 1S 0.06470 -0.06510 0.01197 0.02753 -0.00642 192 2S 0.19474 -0.20211 0.03429 0.11263 -0.02204 193 2PX -0.09982 0.07911 -0.02222 -0.00808 0.01060 194 2PY 0.09432 0.08405 -0.04970 -0.10407 -0.03267 195 2PZ -0.19725 0.03424 0.00799 0.07106 0.04297 196 3S -2.63597 2.66909 -0.64973 -1.22529 0.38473 197 3PX -1.02049 1.00125 -0.19740 -0.53659 0.13648 198 3PY -0.26067 0.80178 -0.35073 -0.46115 0.08459 199 3PZ -1.07527 0.61362 -0.00759 -0.29867 0.10163 200 4XX 0.10606 -0.13951 0.04234 0.09092 -0.01545 201 4YY 0.09320 0.15344 -0.15190 -0.26473 -0.07533 202 4ZZ -0.20843 -0.02721 0.09032 0.21243 0.08644 203 4XY -0.00616 0.28343 -0.06791 -0.00336 0.05280 204 4XZ -0.52839 0.26188 -0.02017 -0.10644 0.00544 205 4YZ 0.24969 -0.23726 0.02133 0.11778 -0.03518 206 19 C 1S 0.01359 0.05353 -0.01704 -0.03611 0.00313 207 2S -0.02522 0.20573 -0.06910 -0.07174 0.05141 208 2PX -0.17324 0.05248 -0.00606 0.00862 0.00889 209 2PY -0.16574 0.16320 -0.04429 -0.08720 0.00116 210 2PZ -0.07670 -0.05720 0.03389 0.07927 0.01677 211 3S 0.16924 -2.45844 1.03881 1.65206 -0.14514 212 3PX -0.16711 -0.39753 0.10434 0.40913 -0.02901 213 3PY -0.31586 0.64714 -0.34517 -0.18412 0.14313 214 3PZ 0.06118 -0.99984 0.46194 0.62564 -0.14711 215 4XX -0.04784 0.13090 -0.04278 0.15652 0.06242 216 4YY 0.10192 -0.12317 0.00128 -0.04998 -0.01677 217 4ZZ -0.10413 -0.02489 0.06594 -0.08640 -0.04771 218 4XY -0.01459 -0.17534 0.04011 0.28420 0.05130 219 4XZ -0.27473 -0.24037 0.03612 0.11076 -0.07429 220 4YZ -0.07947 0.25275 -0.14685 -0.14222 -0.02727 221 20 C 1S -0.05419 -0.00776 0.01597 0.00456 -0.00377 222 2S -0.14799 -0.13492 0.07641 0.10321 -0.03136 223 2PX -0.01497 -0.11949 -0.03515 0.16055 -0.00471 224 2PY -0.07231 -0.01297 -0.03078 0.02343 -0.00097 225 2PZ 0.03556 -0.13588 -0.02085 0.17727 -0.00664 226 3S 1.36144 1.06950 -1.37985 -0.41869 0.30600 227 3PX 0.00725 -0.29816 0.13238 0.48612 0.16695 228 3PY -0.33370 -0.39702 0.64418 0.34598 -0.04959 229 3PZ 0.24011 -0.06322 -0.44504 0.38153 0.21997 230 4XX -0.01878 0.00947 0.06458 0.11352 0.04282 231 4YY 0.11506 0.14492 -0.01095 -0.10947 0.05656 232 4ZZ -0.10455 -0.11940 -0.02052 -0.05187 -0.08561 233 4XY 0.30129 0.16285 -0.13389 -0.20309 -0.00999 234 4XZ 0.32499 -0.04208 0.03373 0.01848 0.01020 235 4YZ -0.08057 0.04939 0.02895 -0.17852 -0.06049 236 21 H 1S -0.17914 -0.08392 0.04213 0.02947 -0.07541 237 2S 0.10577 0.06080 -0.25065 -0.07466 0.06784 238 22 H 1S 0.09738 0.13044 -0.05888 -0.01109 0.02127 239 2S -0.05011 -0.31495 0.14937 0.16656 -0.06900 240 23 H 1S 0.09348 -0.09138 0.01397 -0.03071 -0.00801 241 2S -0.35492 0.34570 -0.07796 -0.15511 0.03802 242 24 H 1S -0.23778 0.02456 0.05664 -0.02494 -0.01044 243 2S 0.44777 -0.15428 -0.05161 0.11855 -0.04425 244 25 H 1S 0.09251 0.06490 -0.11207 0.11265 0.02668 245 2S -0.22590 -0.09774 0.02717 -0.07609 -0.01887 246 26 O 1S 0.01253 0.00697 0.02354 -0.00379 0.01011 247 2S 0.25140 0.04241 0.20304 -0.24025 0.24187 248 2PX -0.05282 -0.00088 -0.01443 0.03888 -0.00220 249 2PY -0.01370 -0.00093 -0.00731 -0.00230 0.01674 250 2PZ -0.03298 0.01493 0.02586 0.00692 -0.05611 251 3S -0.79238 -0.23901 -1.02133 0.84779 -0.69817 252 3PX 0.32619 0.01324 0.21517 -0.27088 0.08879 253 3PY 0.00733 -0.04790 -0.10979 0.09203 -0.15180 254 3PZ 0.13355 0.12055 0.13596 -0.14362 0.39327 255 4XX -0.06337 0.07159 -0.02169 0.10801 0.12923 256 4YY 0.22086 0.04510 0.19694 -0.11599 0.08753 257 4ZZ -0.07952 -0.08387 -0.04447 0.01727 -0.16884 258 4XY -0.07068 0.00867 -0.01116 -0.07952 0.06235 259 4XZ 0.19959 -0.09845 0.21269 -0.00040 -0.06531 260 4YZ -0.07944 0.04379 -0.00431 0.04322 0.16300 261 27 H 1S 0.33520 -0.05050 0.29704 -0.20833 0.00270 262 2S -0.05889 0.04700 -0.01337 -0.02474 -0.04121 263 28 H 1S -0.04737 -0.00175 0.15344 -0.05249 -0.00726 264 2S -0.00180 0.08113 0.03096 -0.00326 0.05114 231 232 233 234 235 V V V V V Eigenvalues -- 3.00082 3.02767 3.06146 3.08475 3.09809 1 1 C 1S 0.01916 -0.03093 0.02308 -0.04488 0.00952 2 2S -0.00812 -0.16276 -0.09564 -0.13930 -0.03190 3 2PX -0.06319 0.06103 0.02634 0.08537 0.00553 4 2PY -0.00964 -0.04435 0.10817 -0.09197 0.02073 5 2PZ 0.03917 0.09291 -0.07054 0.17952 0.00068 6 3S -0.40410 1.46369 -1.39743 1.43649 0.26272 7 3PX -0.23560 0.18106 0.03835 0.17316 -0.00092 8 3PY 0.10978 -0.66419 0.61789 -0.85845 -0.06262 9 3PZ -0.00220 0.13613 -0.06800 0.20529 0.00068 10 4XX -0.03926 0.27415 -0.06547 -0.01031 -0.05630 11 4YY 0.21402 -0.07760 0.06290 -0.01141 0.07803 12 4ZZ -0.12801 -0.17215 -0.00594 0.04919 0.00665 13 4XY -0.17294 -0.10078 -0.06650 -0.03669 0.06436 14 4XZ 0.15360 0.12340 -0.16098 0.05854 0.01286 15 4YZ 0.11529 -0.15263 0.03861 -0.16006 -0.01719 16 2 C 1S -0.02346 0.03284 -0.00622 0.02476 -0.01425 17 2S -0.03259 0.14990 -0.05892 0.10589 0.02929 18 2PX -0.07434 -0.01708 0.02149 0.03607 -0.00404 19 2PY -0.00692 0.16584 -0.00180 -0.01397 0.03164 20 2PZ 0.03122 -0.00536 0.01255 -0.05279 0.00003 21 3S 0.76412 -0.91388 0.42119 -0.32398 0.22862 22 3PX -0.06328 -0.22873 0.13697 -0.24338 0.53085 23 3PY -0.23039 0.72123 -0.29468 0.42875 0.26156 24 3PZ 0.14317 -0.04711 0.01067 -0.09977 -0.31676 25 4XX 0.07392 0.20331 -0.04319 0.06778 -0.01424 26 4YY -0.11731 0.24223 -0.01355 -0.05200 0.00087 27 4ZZ -0.00673 -0.37644 0.05208 0.07893 -0.03379 28 4XY -0.08716 0.12263 -0.01464 -0.18337 0.08310 29 4XZ -0.14538 0.06929 -0.02641 0.14532 -0.10868 30 4YZ -0.02556 0.30697 -0.02109 0.06999 -0.07465 31 3 C 1S 0.00741 0.00907 0.00545 -0.05841 0.02941 32 2S -0.02831 -0.17309 0.08086 -0.30100 0.25761 33 2PX -0.01466 0.07707 -0.01627 0.11026 -0.15562 34 2PY -0.04694 0.02410 -0.00819 -0.04380 -0.22863 35 2PZ 0.01362 -0.03099 0.01489 -0.04297 0.11344 36 3S 0.06100 0.70294 -0.53715 3.73780 -1.90416 37 3PX 0.15428 -0.68796 0.14366 1.16357 -1.46811 38 3PY -0.57535 0.38009 -0.17181 -0.68988 -0.77846 39 3PZ 0.06158 0.14434 -0.01507 -0.34862 0.82702 40 4XX -0.05811 -0.05444 -0.01565 0.12433 -0.21207 41 4YY 0.18950 -0.19370 0.00448 0.06517 0.20716 42 4ZZ -0.11187 0.31840 0.00627 -0.21391 0.06750 43 4XY 0.02775 -0.34815 0.01523 0.22840 -0.04428 44 4XZ 0.16405 -0.11358 0.00917 -0.24493 0.20504 45 4YZ 0.13872 -0.09472 0.03536 -0.20879 0.04650 46 4 C 1S -0.00014 -0.00874 -0.00999 0.05484 -0.07971 47 2S 0.04785 0.01451 -0.02746 0.19246 -0.12011 48 2PX -0.10710 -0.07753 0.02906 0.15571 0.07639 49 2PY -0.00306 0.01467 -0.02998 0.08154 -0.23426 50 2PZ 0.04965 0.03692 -0.00739 -0.08945 0.01916 51 3S -0.28340 0.16865 0.42780 -3.27955 4.18806 52 3PX -0.26129 0.10562 0.01746 0.26706 -0.22890 53 3PY 0.39287 -0.15628 -0.15232 1.59367 -1.69426 54 3PZ 0.01855 0.02550 0.03207 -0.47287 0.47901 55 4XX 0.12601 -0.18730 0.05443 -0.16071 0.43558 56 4YY -0.01541 -0.01645 0.00779 -0.05620 -0.08308 57 4ZZ -0.09977 0.15200 -0.05898 0.20207 -0.34190 58 4XY 0.12177 -0.16492 -0.07875 0.09496 -0.33137 59 4XZ 0.11271 -0.28119 -0.02276 0.22943 -0.34781 60 4YZ -0.09602 0.10519 0.00715 0.06452 0.03923 61 5 C 1S -0.01871 -0.00860 0.00980 -0.02943 0.05640 62 2S -0.00640 -0.05107 0.02487 -0.27674 0.20755 63 2PX -0.04926 0.06206 0.03884 -0.08531 0.21709 64 2PY -0.06509 -0.09733 -0.03749 0.19481 -0.33728 65 2PZ 0.03230 -0.00056 -0.00826 -0.00492 -0.01917 66 3S 0.98614 0.15684 -0.40593 2.54854 -2.80777 67 3PX -0.34506 -0.19037 0.21490 -1.30957 1.62717 68 3PY -0.18361 -0.11010 0.01656 -0.32870 0.02238 69 3PZ 0.18229 0.09573 -0.09812 0.61853 -0.68971 70 4XX -0.01577 -0.14553 -0.03077 0.24094 -0.14903 71 4YY 0.12020 0.19517 -0.02454 -0.13205 -0.12951 72 4ZZ -0.08827 -0.08343 0.04855 -0.07650 0.29554 73 4XY -0.09260 0.00237 0.04842 0.06550 0.45589 74 4XZ 0.05627 -0.08598 0.04450 -0.20416 0.13878 75 4YZ -0.22201 0.26934 -0.01426 -0.04381 -0.08914 76 6 C 1S 0.01468 0.01864 -0.00112 0.01839 -0.01032 77 2S 0.05400 -0.01456 -0.03567 0.27131 -0.22246 78 2PX -0.04950 0.05967 0.03524 0.02306 0.14551 79 2PY -0.10778 -0.02154 0.02328 0.03938 0.08952 80 2PZ 0.04421 -0.02243 -0.01917 -0.01802 -0.07953 81 3S -0.76218 -0.68930 0.17445 -2.35056 1.35332 82 3PX 0.22786 0.35184 -0.06525 1.03525 -0.77011 83 3PY -0.40481 -0.08630 0.09809 -0.71293 0.49600 84 3PZ -0.00844 -0.12462 0.00816 -0.29320 0.22292 85 4XX 0.00973 0.06317 -0.01768 -0.21796 0.17711 86 4YY -0.20787 0.09531 0.01361 0.07310 -0.17001 87 4ZZ 0.19964 -0.13845 -0.00340 0.09221 -0.02194 88 4XY -0.07745 -0.08523 -0.04501 0.36245 -0.13102 89 4XZ -0.06716 0.23210 0.00542 0.07401 -0.08886 90 4YZ -0.05633 0.29745 0.00382 -0.15547 0.08018 91 7 C 1S -0.00085 -0.01294 0.00030 -0.03233 -0.00126 92 2S -0.09640 -0.02143 0.01237 -0.21453 0.07783 93 2PX 0.03353 0.14721 0.02725 -0.12361 -0.05061 94 2PY -0.05068 -0.00245 -0.00525 0.09072 -0.04213 95 2PZ -0.00111 -0.06903 -0.01069 0.03349 0.02994 96 3S 0.42753 0.38011 -0.04620 2.66716 -1.28430 97 3PX 0.00368 0.26012 0.02316 0.18565 0.15347 98 3PY 0.31198 0.23816 -0.04349 1.33560 -0.42416 99 3PZ -0.07450 -0.16283 -0.00038 -0.34426 0.02402 100 4XX -0.20329 0.28114 0.03789 -0.10085 0.31221 101 4YY 0.09558 -0.05330 -0.06849 0.29025 -0.44392 102 4ZZ 0.09855 -0.22361 0.02312 -0.13096 0.02210 103 4XY -0.03097 0.05917 0.03882 0.07301 -0.03654 104 4XZ -0.09913 0.14101 -0.04183 -0.06047 -0.16865 105 4YZ 0.02993 -0.10761 0.00200 -0.13646 0.11435 106 8 C 1S 0.00525 -0.00665 -0.00078 0.04790 0.01465 107 2S 0.02619 0.05297 -0.01932 0.19911 -0.06564 108 2PX 0.00966 0.00082 0.02900 -0.00371 -0.04189 109 2PY -0.05661 0.12486 -0.00704 -0.12091 -0.02727 110 2PZ 0.00421 -0.03229 -0.00665 0.02827 0.02666 111 3S -0.62659 0.03811 0.12162 -2.74945 -0.04554 112 3PX -0.23214 0.15502 -0.08879 -1.34344 0.60967 113 3PY -0.24617 -0.18812 0.00698 -0.43060 -0.68271 114 3PZ 0.16496 -0.02012 0.03614 0.64214 -0.12659 115 4XX -0.07246 0.01127 0.05139 -0.08352 0.37241 116 4YY 0.06869 0.03548 -0.02379 -0.09868 -0.46399 117 4ZZ -0.02309 -0.04653 -0.00688 0.22494 0.11776 118 4XY -0.08522 -0.19317 -0.01441 0.16457 0.03540 119 4XZ -0.01977 0.16163 -0.02965 0.13082 -0.14234 120 4YZ 0.24208 -0.30390 0.03637 0.01425 0.13721 121 9 H 1S 0.07377 0.08606 -0.02027 -0.01121 -0.12898 122 2S -0.14599 -0.03376 -0.07220 -0.32669 0.21668 123 10 H 1S -0.02950 0.02386 0.02488 -0.14293 0.24660 124 2S 0.08309 0.08287 -0.01966 0.35716 -0.17058 125 11 H 1S -0.00826 -0.08290 -0.01507 0.19584 -0.05043 126 2S -0.09492 -0.03792 0.02699 -0.34745 0.22344 127 12 H 1S 0.02584 0.07625 0.00283 -0.11987 -0.09555 128 2S 0.07883 0.04193 -0.05831 0.37484 -0.34821 129 13 H 1S -0.05250 0.04055 0.00117 0.00871 0.09388 130 2S -0.07236 0.02467 0.01260 -0.36641 0.27252 131 14 O 1S 0.00128 0.00371 -0.00128 -0.00143 0.00326 132 2S 0.04308 0.20122 -0.02150 0.12582 -0.01929 133 2PX -0.00361 -0.00236 -0.01063 0.00990 0.00006 134 2PY -0.02251 -0.07659 0.01091 -0.05448 0.04536 135 2PZ 0.02132 0.04249 -0.00119 0.02967 -0.01128 136 3S -0.05750 -0.48377 0.08419 -0.27306 -0.24379 137 3PX 0.05353 0.00076 0.01535 0.09711 -0.10456 138 3PY 0.03231 0.07747 -0.00536 0.09839 0.04147 139 3PZ -0.02395 -0.30829 0.02793 -0.05285 -0.03951 140 4XX -0.00777 0.06429 0.00460 0.02336 0.05184 141 4YY -0.00414 0.26573 -0.03109 -0.04725 -0.04059 142 4ZZ 0.04322 -0.27834 0.01291 0.03122 -0.02308 143 4XY -0.05072 0.02559 0.00432 -0.15088 0.07195 144 4XZ 0.07135 -0.03824 0.01122 0.08983 -0.09336 145 4YZ -0.00415 0.33194 -0.02613 0.01008 0.01880 146 15 C 1S 0.00094 0.00483 0.06960 0.01336 -0.02268 147 2S 0.04165 -0.00479 0.28028 0.17130 -0.07581 148 2PX 0.01735 0.02871 0.10414 -0.06542 -0.07721 149 2PY 0.02554 -0.01233 0.08663 0.02193 0.11605 150 2PZ -0.00009 0.02623 0.06097 -0.09603 -0.17883 151 3S 0.08016 -0.04091 -4.17296 -0.76209 1.44603 152 3PX -0.11778 -0.63602 2.17899 -0.25538 -0.44722 153 3PY -0.27586 -0.22365 1.37781 0.33824 0.39451 154 3PZ 0.06546 -0.51746 1.57124 -0.45986 -0.94037 155 4XX -0.05493 0.15621 0.32439 -0.00717 -0.00420 156 4YY -0.25742 -0.12847 -0.27178 0.11490 -0.05586 157 4ZZ 0.27750 -0.00773 -0.03265 0.00347 0.10164 158 4XY 0.29802 0.13529 -0.06106 0.03691 -0.00331 159 4XZ -0.21398 -0.12642 -0.05005 -0.08589 0.14228 160 4YZ -0.00296 -0.03635 0.56643 0.00700 -0.06467 161 16 C 1S 0.00088 -0.00140 -0.06857 -0.03744 -0.02211 162 2S -0.00398 0.02621 -0.28888 -0.03329 0.08082 163 2PX -0.00128 -0.01219 0.10140 -0.17749 -0.12669 164 2PY -0.00410 -0.02238 0.26358 -0.14829 -0.07853 165 2PZ 0.01347 -0.02078 -0.07330 -0.10933 -0.10028 166 3S -0.36612 -0.16796 4.24084 1.81143 0.46886 167 3PX 0.08102 0.11641 -0.99606 -0.53656 0.00718 168 3PY -0.06521 -0.13664 0.96767 -0.08019 -0.05312 169 3PZ 0.10836 0.19147 -1.98706 -0.60858 0.09320 170 4XX 0.34662 0.13905 -0.05081 0.17588 0.08691 171 4YY -0.25679 -0.13677 0.12731 -0.08834 0.07372 172 4ZZ -0.10048 -0.01128 -0.06468 -0.11140 -0.17425 173 4XY 0.17187 0.16045 0.28792 0.34057 0.30306 174 4XZ -0.13575 -0.02086 0.25772 0.28543 0.08308 175 4YZ -0.20117 0.03269 -0.09218 0.30043 0.17759 176 17 C 1S -0.00321 0.00317 0.03540 0.04216 0.01300 177 2S -0.03572 -0.02559 0.36694 0.01525 -0.06160 178 2PX -0.01225 -0.05397 -0.17543 -0.21136 -0.16003 179 2PY -0.00404 -0.02194 -0.03026 -0.14718 -0.04605 180 2PZ -0.01968 -0.04383 -0.19632 -0.13880 -0.16352 181 3S 0.34676 0.18274 -3.61521 -1.76212 0.19349 182 3PX 0.07458 0.01102 -0.68217 -0.51568 -0.19211 183 3PY 0.17063 0.10463 -1.75451 -0.76419 0.03551 184 3PZ -0.02495 -0.04474 0.54014 -0.04877 -0.27616 185 4XX 0.35264 0.07703 0.13661 -0.10954 -0.13745 186 4YY 0.00745 0.00152 -0.38054 0.08563 0.18942 187 4ZZ -0.35830 -0.08981 0.18158 -0.00500 -0.02028 188 4XY -0.07498 -0.07186 -0.24399 -0.24009 -0.11036 189 4XZ 0.07027 -0.00101 0.12072 -0.33396 -0.24376 190 4YZ -0.15644 -0.04319 0.21427 -0.14956 -0.22846 191 18 C 1S 0.00909 0.00952 -0.02944 0.00218 0.01666 192 2S 0.04096 0.01226 -0.40694 -0.15226 0.02197 193 2PX -0.00188 -0.01758 -0.00896 -0.06488 -0.04845 194 2PY -0.03631 -0.06343 0.06661 -0.24571 -0.15216 195 2PZ 0.02568 0.02724 -0.06423 0.11600 0.05767 196 3S -0.43767 -0.45397 3.47303 0.25325 -1.15128 197 3PX -0.19165 -0.16256 1.34240 0.29281 -0.35500 198 3PY -0.16468 -0.20351 1.01899 -0.01505 -0.20840 199 3PZ -0.11283 -0.06300 0.86017 0.37806 -0.26798 200 4XX 0.06147 0.07527 0.27582 0.04276 0.00253 201 4YY 0.21523 -0.02346 -0.06952 -0.14432 0.03209 202 4ZZ -0.26634 -0.05968 -0.11884 0.04665 -0.07279 203 4XY -0.27699 -0.09734 0.41160 -0.06278 -0.00555 204 4XZ 0.18239 0.08079 0.29419 0.08339 -0.12177 205 4YZ 0.10828 0.10281 0.42257 0.08296 0.04985 206 19 C 1S -0.01203 -0.00705 0.04924 -0.00408 -0.02912 207 2S -0.02287 0.00180 0.32868 0.07423 -0.11998 208 2PX 0.00674 -0.03164 -0.19497 -0.07560 0.04087 209 2PY -0.02246 -0.06828 -0.17591 -0.10545 0.04966 210 2PZ 0.02785 0.02391 -0.10715 -0.00456 0.01025 211 3S 0.58811 0.59733 -4.15508 -0.35912 1.23765 212 3PX 0.13836 0.04777 -0.88114 -0.40269 0.24774 213 3PY -0.07754 -0.16575 0.85119 -0.42764 -0.55617 214 3PZ 0.23322 0.22368 -1.76049 -0.16596 0.73161 215 4XX -0.32120 -0.13938 0.12794 -0.15532 -0.04791 216 4YY 0.30483 0.16981 -0.00452 0.36877 0.17799 217 4ZZ 0.02044 -0.02884 -0.20091 -0.26408 -0.18249 218 4XY -0.05216 0.03221 0.04036 0.17079 0.23833 219 4XZ 0.16396 -0.02402 -0.25504 -0.30369 -0.02159 220 4YZ 0.21849 0.03570 0.28662 -0.12171 -0.02109 221 20 C 1S 0.00387 -0.00004 -0.07256 0.00074 0.04153 222 2S 0.05227 0.02282 -0.29367 0.01324 0.12949 223 2PX 0.05208 -0.00666 0.09849 -0.06786 0.00483 224 2PY 0.01068 -0.03556 -0.08224 -0.06922 0.05419 225 2PZ 0.06105 0.01863 0.18657 -0.02729 -0.03895 226 3S -0.27127 -0.47768 4.52902 0.21831 -2.09049 227 3PX 0.16110 0.22207 -0.95980 -0.31045 -0.09766 228 3PY 0.18009 0.42483 -2.36885 0.02184 0.90374 229 3PZ 0.07105 -0.12306 0.68146 -0.41944 -0.79945 230 4XX -0.36992 -0.10254 0.02904 0.03785 0.06449 231 4YY -0.01735 0.03467 -0.10758 0.24375 0.16917 232 4ZZ 0.37214 0.09043 0.04433 -0.19015 -0.21164 233 4XY 0.07258 0.03059 0.22638 0.26566 0.09083 234 4XZ -0.10335 0.03326 0.42532 -0.11956 -0.32750 235 4YZ 0.14503 0.07703 -0.00569 0.11668 0.15570 236 21 H 1S 0.00714 -0.04083 0.10682 -0.16718 -0.07768 237 2S -0.04207 -0.16287 0.55375 0.04773 -0.19872 238 22 H 1S 0.00536 0.03474 0.18727 0.15444 0.13045 239 2S 0.05642 0.03550 -0.52262 -0.08937 0.17105 240 23 H 1S -0.01260 -0.03765 -0.32621 0.00052 0.03166 241 2S -0.05690 -0.04692 0.53280 0.08522 -0.11359 242 24 H 1S -0.01352 0.01191 0.22654 -0.04936 -0.12552 243 2S 0.03970 0.00790 -0.49999 -0.16948 0.05469 244 25 H 1S 0.02328 0.01624 0.01375 0.09231 0.10907 245 2S -0.02351 -0.10325 0.56478 0.04158 -0.15360 246 26 O 1S -0.00337 0.02529 -0.00866 0.02126 -0.00152 247 2S -0.03955 0.22053 -0.20612 0.24618 -0.06307 248 2PX 0.00936 -0.00194 0.00437 0.01438 0.01749 249 2PY 0.00322 0.00771 -0.01005 0.01452 0.00970 250 2PZ -0.01064 -0.01063 0.03931 -0.02535 0.01859 251 3S 0.20485 -0.95930 0.67748 -1.02028 0.10099 252 3PX -0.06164 0.12020 -0.07019 0.10771 -0.05823 253 3PY 0.03198 -0.15835 0.14742 -0.21766 -0.02635 254 3PZ -0.02859 0.36927 -0.39637 0.56220 -0.05809 255 4XX 0.04180 0.15622 -0.12770 0.18172 -0.01430 256 4YY 0.02159 0.17774 -0.02114 0.11368 -0.01878 257 4ZZ -0.08085 -0.18545 0.11492 -0.19922 0.02058 258 4XY -0.05998 -0.02295 -0.02636 0.11282 0.02001 259 4XZ 0.08396 0.05613 0.12951 -0.20187 0.01072 260 4YZ -0.02601 0.11486 -0.15158 0.17721 0.00119 261 27 H 1S 0.01464 0.09661 0.07718 -0.08824 -0.02465 262 2S -0.03724 -0.04209 0.02333 -0.03754 0.01867 263 28 H 1S -0.14134 0.01262 -0.07319 0.02392 -0.00117 264 2S 0.04505 0.07351 -0.05636 0.13531 -0.00370 236 237 238 239 240 V V V V V Eigenvalues -- 3.10075 3.11117 3.11740 3.15898 3.21901 1 1 C 1S -0.00885 0.00468 -0.01877 0.03575 0.05347 2 2S -0.13446 -0.01554 -0.20080 0.09373 -0.16458 3 2PX -0.02111 -0.03767 -0.00490 -0.00166 0.07989 4 2PY 0.04038 0.01040 0.00679 0.09339 0.09030 5 2PZ -0.02934 0.03223 -0.01855 -0.11584 0.08828 6 3S 0.21928 -0.29943 0.96320 -1.40169 -0.13188 7 3PX 0.33129 -0.25790 0.19040 0.01447 0.35011 8 3PY -0.36967 0.39884 -0.47825 0.41987 0.47432 9 3PZ 0.24710 -0.31001 -0.07448 -0.04733 -0.14908 10 4XX 0.01203 -0.08451 0.13165 0.07970 -0.05973 11 4YY -0.00008 0.02089 -0.06563 -0.16427 0.18594 12 4ZZ 0.01889 0.06267 -0.01280 0.06368 0.06304 13 4XY 0.11558 0.01182 -0.04424 -0.17136 -0.33729 14 4XZ -0.04224 0.06005 0.02625 -0.02671 -0.27701 15 4YZ -0.02860 0.02667 0.07498 0.18862 -0.10535 16 2 C 1S 0.00285 -0.03273 0.03710 0.02322 -0.00237 17 2S -0.00401 -0.31546 0.26062 0.04193 0.21368 18 2PX 0.02479 -0.00848 -0.04948 -0.04293 0.06154 19 2PY -0.06087 -0.06333 0.12846 0.03116 0.04894 20 2PZ 0.01949 0.05706 -0.05903 0.04646 -0.07867 21 3S -0.59590 0.94224 -0.42281 -0.23813 0.26791 22 3PX 0.09976 0.24170 0.00929 -0.53246 0.47404 23 3PY -0.07521 -0.69212 0.74437 0.22000 -0.18394 24 3PZ -0.04630 0.10039 -0.28828 0.25680 -0.35238 25 4XX -0.06933 -0.05079 0.06996 -0.06939 0.09856 26 4YY 0.05091 0.01420 -0.05844 0.03732 -0.17868 27 4ZZ 0.00444 0.01780 0.04300 0.06206 0.03820 28 4XY 0.04249 0.03542 -0.02323 0.06277 -0.07814 29 4XZ -0.03504 -0.09155 0.08275 -0.01218 -0.11648 30 4YZ 0.00170 -0.09429 0.08685 0.06973 0.05211 31 3 C 1S 0.01221 -0.00705 -0.09222 -0.04443 0.02487 32 2S 0.14177 0.23971 -0.29222 -0.25802 0.18156 33 2PX 0.16580 0.16198 0.15386 -0.01128 0.02295 34 2PY 0.17069 0.03131 -0.19109 0.01977 -0.00238 35 2PZ -0.09446 -0.08232 -0.02370 0.00291 -0.00621 36 3S -0.97394 -0.10363 5.67881 2.75405 -1.93441 37 3PX 0.04812 0.92031 0.88246 0.70342 -0.13918 38 3PY 1.22715 0.07213 -1.76391 -0.23669 0.32512 39 3PZ -0.31084 -0.36866 -0.02049 -0.28964 0.07600 40 4XX 0.15431 0.08186 0.20967 0.05717 0.18096 41 4YY -0.19876 -0.00078 0.18829 0.05420 -0.34368 42 4ZZ 0.08377 -0.01164 -0.32976 -0.16703 0.13228 43 4XY 0.07946 0.04485 0.02289 -0.19265 0.23407 44 4XZ -0.07637 -0.08023 -0.35564 -0.13073 -0.11653 45 4YZ 0.05170 -0.00605 -0.17470 0.03590 0.06313 46 4 C 1S 0.01886 0.01043 0.02967 0.03509 0.00126 47 2S -0.06868 0.08563 0.28679 0.17633 -0.16668 48 2PX 0.02147 0.14504 0.32309 -0.05865 0.05205 49 2PY 0.05912 -0.07369 -0.07759 0.07196 0.09744 50 2PZ -0.02345 -0.04538 -0.12853 0.01074 -0.03869 51 3S -0.08583 -0.32664 -2.39776 -2.67963 0.52654 52 3PX 0.54192 0.89556 0.80249 0.03615 -0.35928 53 3PY -0.33491 0.12532 1.47706 1.32262 -0.42111 54 3PZ -0.14602 -0.42427 -0.64829 -0.30175 0.21704 55 4XX -0.32397 -0.22253 0.01225 -0.02197 -0.00134 56 4YY 0.32062 0.33409 -0.06764 -0.15647 -0.06034 57 4ZZ 0.04018 -0.05241 0.03503 0.15356 0.00898 58 4XY -0.08767 -0.40031 -0.48498 0.09890 0.02769 59 4XZ 0.23776 0.24041 0.17740 0.06782 0.02050 60 4YZ -0.02460 0.09920 0.26555 0.03400 0.00699 61 5 C 1S -0.00223 -0.00094 -0.01364 -0.03864 0.02327 62 2S 0.04881 0.00037 -0.33241 -0.20844 -0.00903 63 2PX -0.00298 0.10506 0.14753 -0.06882 0.01422 64 2PY 0.10959 -0.12481 -0.13242 0.02110 0.24837 65 2PZ -0.02428 -0.01769 -0.03154 0.02347 -0.05933 66 3S -0.94368 -0.35471 2.10868 2.65868 -1.43627 67 3PX 0.26462 0.22086 -1.02682 -1.32791 0.24276 68 3PY -0.00534 -0.66239 -0.93608 -0.31493 0.97482 69 3PZ -0.10863 0.05486 0.61863 0.61797 -0.30028 70 4XX -0.21668 -0.41506 -0.01810 0.12977 0.23535 71 4YY 0.21359 0.36752 -0.02075 0.04545 -0.36678 72 4ZZ -0.07952 -0.03574 0.02573 -0.15216 0.08746 73 4XY -0.18341 0.14359 0.44187 -0.11429 -0.17936 74 4XZ 0.13448 0.17323 -0.10379 -0.13062 -0.01650 75 4YZ 0.01226 -0.15985 -0.18780 -0.00681 0.18430 76 6 C 1S -0.01311 0.01151 0.04167 0.03039 -0.01634 77 2S -0.15154 -0.15572 0.14066 0.21454 -0.07943 78 2PX -0.05579 0.03327 0.23112 0.01683 0.15748 79 2PY -0.12164 -0.21115 0.00075 -0.01127 0.25361 80 2PZ 0.04790 0.03160 -0.09741 -0.00483 -0.11816 81 3S 1.09069 -0.29616 -3.59261 -2.34063 1.26349 82 3PX -0.47257 -0.17616 1.32552 1.06563 0.02569 83 3PY 0.58306 0.08830 -0.81488 -0.93422 1.20234 84 3PZ 0.07601 0.04896 -0.39258 -0.25066 -0.26289 85 4XX -0.09549 -0.04655 -0.22003 -0.06155 -0.38752 86 4YY 0.15600 -0.06641 -0.04539 -0.04447 0.49426 87 4ZZ -0.07403 0.03881 0.14470 0.10029 -0.10723 88 4XY -0.08450 -0.10130 0.16201 0.00274 -0.05666 89 4XZ 0.03138 0.07530 0.18349 0.10334 0.15794 90 4YZ -0.01876 0.06601 -0.00050 0.05017 -0.12028 91 7 C 1S 0.04348 0.03471 -0.04192 -0.03739 0.01524 92 2S 0.14128 0.02003 -0.29339 -0.22342 0.20474 93 2PX 0.22601 0.31393 0.08701 0.00907 0.19732 94 2PY -0.11017 -0.18106 -0.01217 0.05790 0.02358 95 2PZ -0.07770 -0.09502 -0.03742 -0.01678 -0.08597 96 3S -2.08425 -1.32614 2.93969 2.72277 -1.10985 97 3PX 0.23089 0.58229 1.06688 -0.07802 0.68299 98 3PY -1.26529 -0.76543 1.75995 1.42147 -1.03476 99 3PZ 0.16733 -0.08185 -0.79992 -0.26682 -0.08256 100 4XX -0.21451 -0.13969 0.14017 0.03537 0.11641 101 4YY 0.03652 -0.10629 -0.06351 0.15321 -0.21796 102 4ZZ 0.20640 0.21961 -0.09085 -0.15231 0.13607 103 4XY 0.32630 0.50638 0.38078 -0.09018 0.39769 104 4XZ 0.16571 0.05119 -0.24859 -0.08490 -0.11294 105 4YZ -0.09105 -0.13229 -0.19740 -0.05184 -0.10163 106 8 C 1S -0.05719 -0.03830 0.06189 0.02831 -0.03618 107 2S -0.09380 0.05609 0.35555 0.19597 -0.02154 108 2PX 0.17766 0.22051 0.10728 -0.05213 0.12730 109 2PY -0.04815 -0.18834 -0.19693 0.03183 0.00376 110 2PZ -0.05896 -0.04912 0.00557 0.01584 -0.05574 111 3S 2.93207 1.57567 -3.81046 -2.31541 1.99351 112 3PX 1.08604 0.60246 -1.55964 -1.20575 0.93369 113 3PY 0.39399 -0.37078 -2.01076 -0.00717 0.12319 114 3PZ -0.54785 -0.19679 1.05412 0.53294 -0.42719 115 4XX -0.00602 0.17169 0.27059 -0.15684 0.15567 116 4YY 0.31709 0.03948 -0.44967 0.03810 0.03379 117 4ZZ -0.30065 -0.21554 0.26296 0.07183 -0.12857 118 4XY -0.30054 -0.55448 -0.17305 0.02317 0.00183 119 4XZ -0.07560 -0.09074 0.07060 0.15675 -0.17692 120 4YZ -0.01932 0.19607 0.25177 0.01659 -0.03822 121 9 H 1S 0.09216 0.08613 -0.01928 0.05148 -0.11263 122 2S 0.15314 0.03267 -0.74144 -0.22445 0.39401 123 10 H 1S -0.10711 -0.04027 0.03831 -0.03992 -0.00725 124 2S -0.23424 -0.14987 0.47033 0.32754 -0.22834 125 11 H 1S -0.00597 0.01525 0.14568 -0.02157 0.03282 126 2S 0.17002 0.04073 -0.38033 -0.31623 0.13902 127 12 H 1S 0.17671 0.16002 -0.09747 -0.00734 -0.02721 128 2S -0.11086 -0.05354 0.36129 0.33905 -0.13152 129 13 H 1S -0.12078 -0.11514 0.08922 0.04088 0.04181 130 2S 0.15025 -0.03793 -0.48899 -0.29084 0.08908 131 14 O 1S -0.00044 0.00642 0.00137 0.00401 0.00371 132 2S -0.10192 -0.17989 0.19678 0.00288 0.23015 133 2PX 0.00504 -0.00843 -0.03899 -0.00237 0.01861 134 2PY 0.00834 0.03808 -0.04831 -0.00396 -0.08104 135 2PZ -0.03144 -0.01512 0.03904 0.01979 0.04395 136 3S 0.28517 0.35439 -0.58291 -0.01414 -0.46460 137 3PX -0.10488 -0.02654 0.15426 0.08833 -0.13939 138 3PY -0.07689 -0.09588 0.18833 -0.05460 0.30342 139 3PZ 0.14125 0.10008 -0.18224 -0.10086 -0.04548 140 4XX -0.03323 -0.00071 0.09901 0.02059 0.08130 141 4YY 0.00577 0.03124 -0.07942 0.08268 -0.16358 142 4ZZ 0.02975 0.02540 -0.01797 -0.06177 0.12233 143 4XY 0.10124 0.05294 -0.11925 -0.01339 0.09634 144 4XZ -0.07185 -0.01675 0.02890 0.05080 -0.00039 145 4YZ -0.06857 -0.10150 0.12181 0.02176 0.04877 146 15 C 1S 0.02416 -0.02206 0.02953 -0.05700 -0.09201 147 2S -0.11678 0.01361 -0.15687 -0.15081 -0.39953 148 2PX 0.00489 -0.12190 0.05389 -0.07761 0.04264 149 2PY 0.26791 -0.15950 0.04891 0.06243 0.04534 150 2PZ -0.17149 0.00380 0.06554 -0.14859 0.02997 151 3S -1.15641 1.34575 -1.34651 3.19779 5.33382 152 3PX 0.40205 -0.18004 0.03884 -0.42290 -1.34546 153 3PY 1.65183 -1.10783 0.18470 0.21725 -1.29205 154 3PZ -0.80854 0.52706 -0.11639 -0.71657 -0.66477 155 4XX 0.04034 -0.09210 0.03124 -0.00350 0.04461 156 4YY -0.18899 0.22295 -0.08280 -0.36486 -0.01378 157 4ZZ 0.18301 -0.03212 0.08019 0.36359 -0.07442 158 4XY -0.23780 0.10389 -0.11734 -0.16410 0.45218 159 4XZ 0.07268 0.03083 -0.10676 0.52752 0.40872 160 4YZ 0.03684 -0.11030 0.01428 -0.11259 0.16523 161 16 C 1S -0.05613 0.02607 0.00456 -0.00286 0.06353 162 2S -0.13236 0.07537 -0.10936 0.27093 0.39731 163 2PX -0.01547 -0.11960 0.10229 -0.07938 0.09702 164 2PY 0.09014 -0.15823 0.11515 0.06461 0.02440 165 2PZ -0.08674 -0.00495 0.05500 -0.15369 0.07603 166 3S 2.84921 -1.28106 0.21652 -0.39841 -4.85051 167 3PX -0.00535 -0.39967 0.35727 -0.12304 0.87913 168 3PY 1.20313 -1.10633 0.58809 -0.74503 -1.16776 169 3PZ -0.92724 0.38309 -0.09798 0.45036 2.08482 170 4XX -0.16518 0.18821 -0.15410 0.08668 0.08625 171 4YY 0.42168 -0.31417 0.17186 -0.03183 -0.03939 172 4ZZ -0.27418 0.17764 0.01992 0.04033 -0.11325 173 4XY 0.38810 -0.18363 -0.11170 0.04003 -0.09090 174 4XZ -0.05503 0.21019 -0.19448 0.11250 -0.26786 175 4YZ -0.15585 0.24943 -0.29449 0.06253 0.20832 176 17 C 1S 0.03495 -0.00685 -0.00502 -0.02158 -0.06013 177 2S 0.15856 -0.08104 0.09764 0.01793 -0.34718 178 2PX -0.07218 -0.04652 0.14546 -0.17038 0.02270 179 2PY 0.00990 -0.05697 0.08600 0.09724 0.06287 180 2PZ -0.09379 -0.01753 0.10865 -0.28669 -0.01839 181 3S -1.36078 0.14939 0.09449 1.41668 4.24035 182 3PX -0.24241 -0.23983 0.19599 -0.57786 0.93149 183 3PY -0.97200 0.33152 -0.13096 0.54007 2.25017 184 3PZ 0.45574 -0.55375 0.38052 -1.14939 -0.65763 185 4XX -0.02153 -0.10482 0.11344 -0.21910 0.02299 186 4YY 0.24572 -0.12235 0.00034 -0.05162 0.02320 187 4ZZ -0.14072 0.16407 -0.07636 0.32464 -0.03353 188 4XY 0.03805 -0.19290 0.15430 -0.34004 0.23416 189 4XZ -0.33102 0.06636 0.08279 0.10472 0.24169 190 4YZ 0.00909 -0.16480 0.16898 -0.48146 -0.00673 191 18 C 1S -0.01803 0.01087 -0.01745 0.02081 0.05482 192 2S -0.00894 -0.06828 0.07102 0.04467 0.28370 193 2PX 0.07415 -0.09200 0.08998 -0.09001 -0.05942 194 2PY -0.07503 -0.00466 0.13612 0.23718 -0.08643 195 2PZ 0.15139 -0.11168 0.00513 -0.29796 -0.00542 196 3S 1.14950 -0.75450 0.94002 -1.70255 -4.14603 197 3PX 0.33510 -0.07668 0.18300 -0.57264 -1.70081 198 3PY 0.36504 -0.06700 0.24044 0.49523 -1.28921 199 3PZ 0.13066 -0.02848 0.02597 -1.09145 -1.07645 200 4XX -0.03670 -0.01596 -0.05110 -0.03538 0.13941 201 4YY 0.18350 -0.09692 0.13477 0.39934 -0.17985 202 4ZZ -0.10140 0.03849 -0.03232 -0.41192 0.02299 203 4XY 0.17860 -0.09994 0.06871 0.28611 -0.13030 204 4XZ -0.04470 -0.02945 0.01296 -0.42536 -0.06240 205 4YZ -0.05204 0.01163 -0.10618 0.09170 0.24240 206 19 C 1S -0.02103 0.01846 0.00818 -0.00547 -0.06030 207 2S 0.02747 -0.03721 0.05324 -0.28171 -0.30134 208 2PX 0.21846 -0.18219 0.11961 0.02060 -0.01874 209 2PY 0.26170 -0.17252 0.13987 0.18482 -0.12003 210 2PZ 0.06392 -0.09033 0.03883 -0.11935 0.07248 211 3S 0.02000 -0.46885 -0.30937 0.66064 4.29396 212 3PX 0.34674 -0.42073 0.21476 0.60647 0.93043 213 3PY 0.29018 -0.39763 0.57999 -0.03813 -1.04579 214 3PZ 0.20491 -0.24564 -0.17838 0.77919 1.96081 215 4XX 0.17574 -0.16553 0.13667 0.06774 -0.05858 216 4YY -0.04907 0.12115 -0.23551 -0.24739 0.12562 217 4ZZ -0.17965 0.04136 0.13158 0.09645 -0.04097 218 4XY 0.34108 -0.22802 -0.05976 -0.07319 0.21020 219 4XZ 0.17142 -0.25039 0.20337 0.18219 0.17085 220 4YZ 0.32992 -0.31028 0.20937 0.12293 -0.10522 221 20 C 1S 0.04201 -0.02276 -0.00191 0.04575 0.05232 222 2S -0.08447 0.10290 -0.10471 0.09315 0.37518 223 2PX 0.14729 -0.16769 0.07436 -0.06802 0.06081 224 2PY 0.15856 -0.11494 0.06077 0.15735 0.03599 225 2PZ 0.06377 -0.13340 0.05272 -0.20393 0.05402 226 3S -1.42294 0.99375 0.10590 -2.54335 -3.97415 227 3PX -0.07928 -0.29490 0.25516 -0.13160 0.74346 228 3PY 0.17403 -0.12670 -0.17825 0.91952 2.12997 229 3PZ -0.23837 -0.18200 0.45954 -0.87858 -0.73583 230 4XX -0.11362 0.16882 -0.14435 0.18437 0.09423 231 4YY 0.26184 -0.10090 -0.05723 -0.11594 -0.17191 232 4ZZ -0.14303 -0.07158 0.17096 -0.16540 0.04675 233 4XY -0.10159 0.24178 -0.19520 0.05270 -0.15123 234 4XZ -0.45218 0.20915 0.00419 -0.14594 -0.10978 235 4YZ -0.14143 0.23924 -0.19797 0.40926 0.18494 236 21 H 1S -0.11090 0.04455 0.02551 0.13455 0.06439 237 2S 0.08013 -0.02364 0.04523 -0.30027 -0.58313 238 22 H 1S 0.17041 -0.06637 -0.05823 0.01984 0.03097 239 2S -0.00447 -0.02510 -0.05163 0.21770 0.53037 240 23 H 1S -0.02564 0.06866 -0.01147 0.03848 -0.08955 241 2S 0.11342 -0.03821 0.05074 -0.15568 -0.49155 242 24 H 1S -0.18341 0.09420 -0.00926 0.00402 0.03884 243 2S -0.18653 0.06727 -0.04964 0.15145 0.55869 244 25 H 1S 0.10303 -0.04285 -0.08104 -0.02905 0.12488 245 2S 0.20118 -0.13453 0.14676 -0.15798 -0.64610 246 26 O 1S -0.00366 0.00343 0.00218 -0.01707 -0.00143 247 2S 0.03861 -0.17925 0.10587 -0.31777 -0.08691 248 2PX -0.00251 -0.00244 -0.03317 0.03426 0.00148 249 2PY 0.00175 0.01662 -0.00210 -0.00033 -0.01022 250 2PZ 0.01800 0.03218 -0.00723 0.05425 0.04126 251 3S -0.24636 0.48541 -0.39926 0.96268 0.26925 252 3PX 0.03410 -0.05541 0.15434 -0.27807 -0.04890 253 3PY -0.04935 -0.00197 -0.01756 0.09838 0.03665 254 3PZ 0.01218 -0.15749 0.09309 -0.47637 -0.17745 255 4XX -0.03699 0.02644 -0.00531 -0.03033 -0.01433 256 4YY -0.03557 -0.04083 0.03517 -0.20093 0.01962 257 4ZZ 0.02405 0.06368 -0.02953 0.14760 -0.02170 258 4XY -0.01058 -0.00391 -0.05254 -0.01918 -0.00904 259 4XZ 0.02723 -0.08855 0.04773 0.22560 0.00338 260 4YZ -0.01313 0.04802 -0.01108 -0.04658 -0.07533 261 27 H 1S 0.04482 -0.11720 0.10579 -0.03223 0.01925 262 2S -0.00743 0.07112 -0.02186 0.06860 0.06923 263 28 H 1S 0.07673 -0.04362 0.00254 0.00619 -0.12140 264 2S 0.06599 -0.02275 0.08309 -0.02176 0.00757 241 242 243 244 245 V V V V V Eigenvalues -- 3.25074 3.26423 3.37171 3.39807 3.45405 1 1 C 1S -0.05646 0.03389 -0.01010 -0.04565 0.03210 2 2S 0.02967 0.08566 0.24487 -0.06119 0.03788 3 2PX 0.26767 0.14035 0.03429 0.06414 -0.01446 4 2PY -0.12815 0.19513 0.02120 -0.09792 0.08312 5 2PZ 0.37302 -0.18494 -0.00107 0.29710 -0.14156 6 3S 2.45850 -1.14647 -0.31734 2.12499 -1.04457 7 3PX 0.72650 0.40587 0.41170 0.25001 -0.05219 8 3PY -0.68599 0.31731 0.05538 -0.91202 0.40927 9 3PZ 0.52981 0.00825 0.27910 0.67188 -0.23404 10 4XX -0.16121 0.00496 0.04179 -0.35385 0.07125 11 4YY -0.25024 0.05123 -0.15649 0.07551 0.22284 12 4ZZ 0.40396 -0.09466 -0.05769 0.25257 -0.25745 13 4XY -0.26124 0.01800 -0.06991 0.03015 0.12026 14 4XZ 0.05035 -0.60191 -0.01481 0.31063 -0.32480 15 4YZ -0.57692 -0.07753 -0.04986 -0.48967 0.10221 16 2 C 1S -0.00132 0.05752 -0.01763 0.02840 -0.00254 17 2S 0.04584 0.02669 -1.11596 0.06403 0.04035 18 2PX 0.04383 -0.06051 -0.01817 -0.12250 -0.00570 19 2PY -0.03412 -0.10479 -1.02722 0.04678 -0.05569 20 2PZ -0.05928 0.09651 0.56878 0.03387 0.00017 21 3S -0.75033 -1.88405 -1.99037 -0.82820 -0.13347 22 3PX 0.41930 -0.39775 0.03554 0.21453 -0.08718 23 3PY -0.05651 0.46305 -0.99337 0.28317 -0.14798 24 3PZ -0.30229 0.09134 0.64155 -0.21355 0.12148 25 4XX -0.09471 -0.26890 0.41167 -0.13975 0.03731 26 4YY 0.18315 0.08446 -0.41214 -0.19262 -0.07383 27 4ZZ -0.08939 0.18199 -0.02788 0.35686 -0.05294 28 4XY -0.29783 0.29129 -0.12823 0.66780 -0.01516 29 4XZ 0.17467 0.32079 0.09734 -0.15221 0.10293 30 4YZ 0.08172 0.01660 0.65437 -0.19067 0.02357 31 3 C 1S 0.02692 -0.08967 0.00139 -0.06521 -0.00359 32 2S 0.10063 -0.21008 -0.02359 -0.10061 0.01908 33 2PX 0.09766 -0.01467 -0.01355 -0.21827 0.04461 34 2PY -0.01753 0.10861 -0.11948 0.03140 0.04870 35 2PZ -0.04532 -0.02040 0.03288 0.08934 -0.03195 36 3S -1.38566 4.25335 -0.13894 3.20954 -0.12022 37 3PX -0.26951 0.57186 -0.86235 0.21560 0.14841 38 3PY 0.57490 -0.02918 -0.51626 -1.50318 0.48828 39 3PZ 0.02763 -0.31935 0.34987 0.20781 -0.19497 40 4XX -0.14012 0.09498 -0.14865 -0.00354 0.11854 41 4YY 0.07692 0.13371 0.15685 0.28610 -0.16222 42 4ZZ 0.09408 -0.37029 -0.01190 -0.31044 0.00814 43 4XY 0.21935 -0.35821 0.02351 -0.38690 0.02853 44 4XZ 0.09647 -0.15767 0.08193 -0.04334 -0.05772 45 4YZ -0.07633 -0.02054 -0.04043 0.06037 -0.01096 46 4 C 1S -0.02083 0.03706 -0.02247 0.03492 0.00140 47 2S -0.05901 0.25656 -0.06511 0.20385 -0.01286 48 2PX 0.11995 0.02770 -0.05763 -0.21330 0.07880 49 2PY -0.12222 -0.02500 0.02794 0.08740 -0.00913 50 2PZ -0.02976 -0.01683 0.01181 0.07041 -0.03233 51 3S 1.77325 -2.52616 1.04577 -2.48858 0.01007 52 3PX 0.55662 0.80330 -0.63567 -0.61616 0.36111 53 3PY -0.99678 1.17253 -0.44038 1.55333 -0.13332 54 3PZ -0.00852 -0.56697 0.42326 -0.08429 -0.11835 55 4XX -0.04527 -0.06837 0.06320 -0.01118 -0.02334 56 4YY 0.23342 0.00954 -0.07857 -0.16641 0.04118 57 4ZZ -0.11058 0.11205 -0.03530 0.14872 -0.01194 58 4XY -0.14711 -0.13044 0.08716 0.25392 -0.12015 59 4XZ 0.00887 0.14303 -0.11358 0.04550 0.03721 60 4YZ -0.02185 0.10566 -0.04922 -0.02301 0.04749 61 5 C 1S 0.02181 -0.04208 0.01421 -0.04173 0.00209 62 2S 0.16889 -0.15618 0.06614 -0.14991 0.00088 63 2PX 0.05236 -0.00636 -0.01108 -0.10228 0.03210 64 2PY -0.14282 -0.20022 0.08688 0.08194 -0.05245 65 2PZ 0.00983 0.04750 -0.01174 0.02251 -0.00109 66 3S -1.64584 2.63715 -0.85584 2.69586 -0.18407 67 3PX 1.14823 -1.01442 0.27899 -1.55840 0.16475 68 3PY -0.50555 -1.17030 0.66174 0.23784 -0.26093 69 3PZ -0.37794 0.65881 -0.27713 0.60534 -0.01529 70 4XX -0.24914 -0.16099 0.09785 0.12148 -0.05631 71 4YY 0.17251 0.33467 -0.16920 0.05161 0.03653 72 4ZZ 0.08983 -0.15531 0.05265 -0.17806 0.01360 73 4XY 0.30152 0.11247 -0.06094 -0.34966 0.08551 74 4XZ 0.10686 -0.04419 -0.00114 -0.07113 0.01060 75 4YZ -0.14734 -0.17126 0.08469 0.08000 -0.03900 76 6 C 1S -0.02410 0.03066 -0.00684 0.03645 -0.00176 77 2S -0.11945 0.15695 -0.04449 0.12147 -0.00545 78 2PX -0.16854 -0.09027 0.08307 0.12573 -0.03366 79 2PY -0.18377 -0.22146 0.11889 0.06560 -0.04068 80 2PZ 0.10987 0.08329 -0.06273 -0.06631 0.02208 81 3S 1.61331 -2.51831 0.51434 -2.54156 0.15332 82 3PX -1.21924 0.59913 0.08028 1.44690 -0.21318 83 3PY 0.05338 -1.49651 0.70502 -0.43453 -0.13924 84 3PZ 0.50141 0.06362 -0.16758 -0.52545 0.12298 85 4XX 0.30478 0.24948 -0.15129 -0.15814 0.06322 86 4YY -0.29180 -0.39897 0.19794 0.10307 -0.07238 87 4ZZ -0.01616 0.12705 -0.04185 0.06094 0.00730 88 4XY 0.18773 0.00357 -0.01034 -0.27239 0.03140 89 4XZ -0.24457 -0.05135 0.06209 0.21006 -0.03994 90 4YZ -0.03826 0.13324 -0.04422 0.12352 0.00374 91 7 C 1S 0.03469 -0.03058 0.00297 -0.04062 0.00237 92 2S 0.08431 -0.26643 0.04679 -0.12633 0.01621 93 2PX -0.18586 -0.11120 0.07347 0.16266 -0.05098 94 2PY -0.06840 0.00829 -0.02045 0.03144 0.01308 95 2PZ 0.09309 0.04377 -0.02912 -0.07720 0.02074 96 3S -2.18306 2.29958 -0.62258 2.46670 -0.17877 97 3PX -0.57604 -0.46158 0.67738 0.82704 -0.27579 98 3PY -0.91249 1.56632 -0.31605 1.34910 -0.10391 99 3PZ 0.44018 -0.12586 -0.22934 -0.61289 0.12824 100 4XX -0.22926 -0.04546 0.04427 0.21568 -0.02064 101 4YY 0.11576 0.19678 -0.08885 -0.13752 0.03022 102 4ZZ 0.07506 -0.15628 0.03312 -0.09209 -0.00804 103 4XY -0.17087 -0.29813 0.18478 0.08462 -0.07301 104 4XZ 0.22543 0.02567 -0.05408 -0.22226 0.03266 105 4YZ 0.09073 0.04582 -0.05847 -0.04277 0.02557 106 8 C 1S -0.01425 0.03597 0.01501 0.04356 -0.00563 107 2S -0.19067 0.20188 0.01688 0.20413 0.01354 108 2PX -0.03007 -0.10993 0.04241 -0.01347 -0.02592 109 2PY -0.04342 0.04828 -0.08614 -0.02697 0.06243 110 2PZ 0.02589 0.03806 0.00253 0.02465 -0.00976 111 3S 1.45247 -2.75738 -0.00976 -2.80104 0.28329 112 3PX 0.70045 -1.32226 0.57380 -0.96047 0.09930 113 3PY 0.37475 -0.19139 -0.98135 -1.44527 0.43246 114 3PZ -0.39982 0.61033 -0.01106 0.68574 -0.10996 115 4XX -0.02098 -0.19432 0.17007 0.09196 -0.07317 116 4YY 0.04600 0.00159 -0.15620 -0.21511 0.07322 117 4ZZ -0.03763 0.10353 0.06428 0.14917 -0.01382 118 4XY 0.01965 -0.01812 -0.08311 -0.11194 0.06923 119 4XZ -0.02641 0.19555 -0.01168 0.08285 0.00486 120 4YZ -0.03022 0.03749 0.10327 0.17130 -0.06017 121 9 H 1S 0.02928 0.10017 0.04069 0.03366 -0.00031 122 2S 0.12542 -0.37813 -0.00399 -0.47840 0.17734 123 10 H 1S -0.03425 0.01065 0.02085 0.10033 -0.01014 124 2S -0.21227 0.35060 -0.02282 0.32725 -0.04624 125 11 H 1S 0.07477 -0.04884 0.02806 -0.12256 0.00867 126 2S 0.20714 -0.28469 0.07833 -0.26560 0.01532 127 12 H 1S -0.01162 0.04528 -0.03259 0.07996 -0.00255 128 2S -0.21214 0.33263 -0.13977 0.30224 -0.00977 129 13 H 1S -0.05687 0.01594 0.00356 -0.01757 0.01253 130 2S 0.21941 -0.27340 0.21668 -0.30020 0.01126 131 14 O 1S 0.00054 -0.00936 -0.01925 -0.01108 -0.00846 132 2S -0.11874 -0.29455 -0.85767 -0.13466 -0.00645 133 2PX 0.01975 -0.01623 0.01387 0.01080 -0.02291 134 2PY 0.01138 0.06502 -0.24466 0.04809 -0.01942 135 2PZ -0.02881 -0.02010 0.12794 -0.03011 0.01105 136 3S 0.26872 0.76206 3.12711 0.34122 0.21520 137 3PX -0.02311 0.06227 0.00890 -0.30603 0.08158 138 3PY -0.06778 -0.42199 -1.61434 -0.09859 -0.07274 139 3PZ 0.08608 0.15659 0.87759 0.22376 0.04586 140 4XX 0.05238 -0.08031 -0.52051 -0.02731 -0.06022 141 4YY 0.03280 0.12000 1.04087 -0.18584 0.01313 142 4ZZ -0.08112 -0.09014 -0.09555 0.11145 0.00232 143 4XY -0.14250 -0.00209 -0.07094 0.35156 -0.04235 144 4XZ 0.05610 -0.05672 0.03436 -0.25378 0.00285 145 4YZ 0.02333 -0.18954 -0.93280 -0.15866 -0.03871 146 15 C 1S -0.02339 -0.06638 -0.00555 0.01924 -0.01637 147 2S -0.19768 -0.35873 -0.01984 -0.08487 -0.00948 148 2PX 0.09610 0.01785 0.01506 0.01145 0.02226 149 2PY 0.03029 0.06785 -0.00888 -0.07473 -0.29736 150 2PZ 0.09850 -0.01021 0.02875 0.09217 0.25677 151 3S 1.63572 3.41965 -0.22216 -0.55458 0.54577 152 3PX -1.07263 -0.23073 0.43439 -0.31208 0.32189 153 3PY -0.71508 0.61097 0.38016 -0.02906 -1.32047 154 3PZ -0.59642 -0.84021 0.31623 -0.40107 1.39979 155 4XX 0.11594 0.11170 0.02134 0.06077 -0.05872 156 4YY -0.09447 -0.01994 -0.03308 0.12746 0.54925 157 4ZZ 0.02153 -0.09699 -0.02324 -0.05700 -0.54984 158 4XY 0.14751 0.29092 0.05419 0.07396 0.50825 159 4XZ 0.23077 0.29135 0.00779 -0.13859 -0.38734 160 4YZ 0.18073 0.09460 -0.00816 0.07011 0.05039 161 16 C 1S 0.03354 0.02309 -0.00014 0.00356 0.00636 162 2S 0.20570 0.11917 -0.08766 -0.01731 0.00623 163 2PX 0.06897 0.10245 -0.00458 -0.01737 -0.21781 164 2PY 0.10664 0.05269 -0.00027 -0.01228 -0.36379 165 2PZ -0.00070 0.08144 -0.00497 0.00211 0.00317 166 3S -2.23910 -1.79111 0.45954 0.10865 -0.51369 167 3PX 0.57078 0.74624 -0.03837 0.05313 -0.95796 168 3PY -0.60302 0.09176 0.15197 -0.09365 -1.34726 169 3PZ 1.14728 0.86758 -0.21951 0.09821 -0.08198 170 4XX 0.00527 -0.02773 0.00804 0.04561 0.28226 171 4YY 0.02397 0.09089 0.01241 -0.06171 -0.41139 172 4ZZ 0.01030 -0.14061 0.03249 0.02949 0.06507 173 4XY -0.07384 0.00721 0.00888 -0.01908 0.04535 174 4XZ -0.13507 -0.21021 -0.01186 0.04797 0.31799 175 4YZ 0.03149 0.06581 -0.03323 0.05190 0.46168 176 17 C 1S -0.04216 -0.02456 -0.00015 -0.00739 -0.00107 177 2S -0.11262 -0.19914 0.02320 0.00350 -0.06631 178 2PX -0.02579 0.06473 0.00195 -0.05045 -0.22625 179 2PY 0.10135 -0.00190 0.00113 0.01350 -0.04393 180 2PZ -0.10477 0.08425 -0.00215 -0.07558 -0.24337 181 3S 2.73929 1.82801 -0.21157 0.42014 0.05684 182 3PX 0.28309 0.83283 -0.06106 -0.12161 -0.82757 183 3PY 1.27470 1.03801 -0.12235 0.15240 0.06856 184 3PZ -0.65097 0.20928 0.04995 -0.25045 -1.09084 185 4XX -0.02488 0.07450 -0.00405 -0.02838 -0.19733 186 4YY -0.07561 0.07283 0.00356 -0.05619 -0.00869 187 4ZZ 0.12883 -0.16009 -0.01132 0.08175 0.20020 188 4XY 0.02785 0.27547 0.00161 -0.06739 -0.30035 189 4XZ 0.25140 0.05836 0.00157 0.07183 -0.04244 190 4YZ -0.08277 0.17904 0.00225 -0.06309 -0.36831 191 18 C 1S 0.03128 0.02674 -0.00443 0.00718 0.00088 192 2S 0.17361 0.13540 -0.01556 0.01564 0.00652 193 2PX -0.02660 -0.01744 0.00678 -0.00694 -0.01840 194 2PY 0.11726 -0.21244 0.01420 0.06127 0.21778 195 2PZ -0.12136 0.14316 -0.00164 -0.05751 -0.19409 196 3S -2.17146 -2.09958 0.33922 -0.31539 -0.13565 197 3PX -1.02371 -0.80042 0.11403 -0.18133 -0.12304 198 3PY -0.25583 -1.19498 0.12690 0.14146 0.93974 199 3PZ -1.07273 -0.05513 0.01303 -0.33944 -0.88899 200 4XX 0.09940 0.10098 -0.00365 0.04199 -0.03412 201 4YY 0.07396 -0.29610 0.01879 0.05945 0.31632 202 4ZZ -0.16816 0.18972 -0.01268 -0.09287 -0.28452 203 4XY 0.12456 -0.20107 0.02035 0.09129 0.25426 204 4XZ -0.16371 0.12981 0.00090 -0.06072 -0.25242 205 4YZ 0.21007 0.11572 -0.01217 0.09135 0.02716 206 19 C 1S -0.03172 -0.04220 -0.00035 -0.00670 -0.00454 207 2S -0.19195 -0.11291 0.01637 -0.00013 0.02389 208 2PX 0.05877 -0.03674 0.01933 0.05841 0.21606 209 2PY 0.04270 -0.14785 0.01500 0.05327 0.25469 210 2PZ 0.04077 0.06434 0.00269 0.02790 0.06544 211 3S 2.58317 2.31057 -0.12602 0.53163 0.19107 212 3PX 1.00783 0.10253 0.02468 0.35376 0.82213 213 3PY 0.09841 -1.15856 0.24318 0.25872 1.07861 214 3PZ 1.18368 1.06278 -0.10264 0.23858 0.18152 215 4XX 0.10725 -0.11497 0.01012 0.07788 0.22718 216 4YY -0.13313 0.23999 -0.02826 -0.06252 -0.28437 217 4ZZ 0.03048 -0.11336 0.00705 -0.01406 0.07117 218 4XY 0.12615 0.20125 0.00491 0.07252 0.08101 219 4XZ 0.25228 -0.02543 0.02000 0.08848 0.29914 220 4YZ 0.14817 -0.17057 0.03001 0.12231 0.33279 221 20 C 1S 0.02155 0.04412 -0.00735 -0.00274 0.00054 222 2S 0.09597 0.20876 -0.08084 -0.02929 0.02732 223 2PX 0.08344 -0.00354 -0.01722 0.06445 0.25607 224 2PY 0.07106 -0.00219 0.01643 -0.00727 -0.01898 225 2PZ 0.05224 0.01091 -0.00760 0.08936 0.33687 226 3S -2.45463 -2.58792 0.28186 -0.49135 0.18405 227 3PX 1.05190 -0.20277 0.16360 0.44886 0.97488 228 3PY 1.31579 1.03202 -0.28364 0.33767 -0.03086 229 3PZ 0.21261 -1.09488 0.31037 0.29566 1.21297 230 4XX -0.01183 0.10240 -0.02496 -0.07978 -0.23413 231 4YY -0.15976 0.04542 0.01366 -0.00686 -0.00082 232 4ZZ 0.09263 -0.05334 0.01297 0.08228 0.29593 233 4XY -0.20609 -0.03245 -0.01446 -0.09714 -0.39897 234 4XZ 0.00321 -0.15420 0.01480 -0.00006 -0.02713 235 4YZ -0.01515 0.12432 -0.06633 -0.15376 -0.48783 236 21 H 1S 0.00819 0.01767 -0.03921 -0.04096 -0.01720 237 2S -0.31688 -0.23266 0.20302 -0.09727 0.06987 238 22 H 1S 0.00957 0.06540 -0.01316 0.02500 0.00141 239 2S 0.27083 0.30679 -0.05231 0.03341 0.00625 240 23 H 1S -0.10353 -0.05509 -0.00290 -0.04389 -0.00014 241 2S -0.28153 -0.23222 0.03370 -0.03843 -0.01600 242 24 H 1S 0.05607 -0.00151 -0.00937 0.02615 -0.00549 243 2S 0.30052 0.25721 -0.02628 0.02568 0.04936 244 25 H 1S -0.01864 0.07802 -0.00846 -0.04657 0.05325 245 2S -0.35310 -0.20977 0.06495 -0.01716 -0.04008 246 26 O 1S 0.04308 -0.02590 0.01240 0.02238 -0.00122 247 2S 0.61075 -0.19038 0.12766 0.48099 -0.21038 248 2PX 0.01984 -0.02320 0.00807 0.01823 -0.01727 249 2PY 0.00049 -0.01010 0.01931 -0.00762 0.02246 250 2PZ -0.01461 0.02280 -0.02237 -0.00029 -0.01361 251 3S -2.11039 0.71128 -0.43924 -1.68472 0.63443 252 3PX 0.30500 -0.03758 -0.02934 0.33924 -0.08449 253 3PY -0.54436 0.22597 -0.13154 -0.41367 0.21569 254 3PZ 1.05678 -0.50437 0.16896 0.89730 -0.37102 255 4XX 0.28115 -0.26271 0.05878 0.11801 -0.09483 256 4YY 0.17590 -0.00816 0.08197 0.11212 0.09140 257 4ZZ -0.35949 0.13731 -0.06089 -0.29410 0.13521 258 4XY 0.19490 -0.03618 -0.02693 0.16026 -0.05884 259 4XZ -0.35213 0.09487 0.09029 -0.38851 0.04383 260 4YZ 0.47116 -0.29281 0.07336 0.30085 -0.25251 261 27 H 1S -0.01477 0.10819 0.07364 -0.04222 -0.00927 262 2S -0.09371 0.07438 -0.04269 -0.13994 0.09238 263 28 H 1S 0.08670 0.02538 0.07713 0.06880 -0.01764 264 2S -0.00296 0.02204 0.05803 -0.02870 0.01695 246 247 248 249 250 V V V V V Eigenvalues -- 3.53444 3.78032 3.80049 4.26566 4.47880 1 1 C 1S 0.00760 0.01958 0.01061 -0.03065 -0.00106 2 2S -0.15409 -0.17953 -0.13018 0.65278 0.66404 3 2PX -0.11159 0.12571 0.01049 0.01429 -0.02664 4 2PY -0.07107 0.06072 0.00906 0.03599 0.02411 5 2PZ 0.14107 0.08491 0.07255 -0.04845 -0.01703 6 3S 0.49052 -0.52635 0.11016 -2.89561 -2.06949 7 3PX 0.01408 0.24063 0.07252 -0.62976 0.01238 8 3PY -0.19112 0.16698 -0.02845 1.05031 1.00315 9 3PZ 0.16381 0.16219 0.14333 -0.92884 0.23000 10 4XX -0.06223 -0.01121 -0.05251 -0.21724 -0.29492 11 4YY 0.12919 0.06464 0.09442 -0.22627 -0.14292 12 4ZZ 0.02902 0.10699 0.07988 -0.23257 -0.20285 13 4XY -0.13011 -0.11188 -0.01649 -0.03921 -0.03308 14 4XZ 0.33016 -0.10142 0.06504 0.00387 0.05253 15 4YZ 0.00625 -0.12777 -0.09740 0.07771 -0.01061 16 2 C 1S -0.01257 0.00087 0.02371 -0.06084 0.18909 17 2S -0.29362 0.04220 -0.22768 0.23283 -1.58089 18 2PX -0.02003 0.04354 -0.12071 0.00693 -0.07531 19 2PY -0.29036 -0.02195 0.09173 -0.01965 0.04146 20 2PZ 0.17212 -0.00911 0.04141 0.06517 0.00187 21 3S 0.18138 0.04756 -0.69772 1.44449 -1.46884 22 3PX 0.23342 0.06502 -0.07840 -0.03558 -0.01971 23 3PY -0.34859 -0.09421 0.20846 -0.39025 -2.02301 24 3PZ -0.02468 -0.01656 -0.07970 0.21687 1.10859 25 4XX 0.44014 -0.03044 0.02937 -0.13450 0.87235 26 4YY -0.60980 0.02101 -0.04269 -0.13132 0.95164 27 4ZZ 0.19173 -0.00239 0.18037 -0.22189 0.88722 28 4XY 0.23744 -0.04912 0.29509 -0.05020 0.04761 29 4XZ -0.38740 0.03408 -0.08582 -0.08865 -0.03434 30 4YZ 0.17542 0.01585 -0.07609 0.02572 -0.07451 31 3 C 1S 0.00763 -0.01491 0.04512 -0.06067 0.17377 32 2S 0.01418 -0.00793 0.08650 0.51192 -1.06105 33 2PX 0.14602 0.02072 -0.10888 -0.02655 0.01181 34 2PY 0.27291 -0.01850 0.10480 -0.01650 -0.06750 35 2PZ -0.11302 -0.00388 0.02548 0.04340 0.01703 36 3S -0.27458 0.80746 -3.07165 -0.28269 -0.56068 37 3PX 0.90015 0.41431 -1.63084 0.48665 0.98420 38 3PY 0.55859 -0.35475 1.27027 -0.35842 0.27733 39 3PZ -0.47992 -0.10340 0.44556 -0.13841 -0.65709 40 4XX 0.66117 -0.04480 0.11817 -0.27934 0.63114 41 4YY -0.72836 0.05847 -0.18061 -0.26545 0.67392 42 4ZZ 0.13423 -0.03207 0.05631 -0.22378 0.67883 43 4XY 0.15089 0.14846 -0.61626 0.04204 0.10386 44 4XZ -0.37465 -0.04786 0.17548 -0.01468 0.03204 45 4YZ 0.17911 -0.09092 0.36079 -0.01701 -0.03212 46 4 C 1S 0.00591 0.01831 -0.06633 -0.00030 0.06664 47 2S -0.01902 0.00667 -0.01437 0.01913 -0.40777 48 2PX 0.30985 -0.00497 -0.01149 -0.00480 0.08586 49 2PY 0.02801 0.02479 -0.09287 -0.01256 -0.01243 50 2PZ -0.13259 -0.00480 0.02725 0.00439 -0.05424 51 3S -0.48235 -0.94361 3.44448 -0.24138 -0.83280 52 3PX 0.81083 0.02164 -0.21052 -0.08079 0.31123 53 3PY 0.09537 0.51486 -1.85395 0.24254 0.43768 54 3PZ -0.39319 -0.12100 0.50209 -0.01283 -0.14798 55 4XX -0.10740 -0.13443 0.49932 0.01239 0.19317 56 4YY 0.08714 0.11399 -0.43063 -0.01152 0.26475 57 4ZZ -0.07290 0.05200 -0.17777 0.00548 0.24121 58 4XY -0.47403 0.06736 -0.20871 -0.00006 -0.08235 59 4XZ 0.18539 0.08898 -0.33503 -0.01274 0.04945 60 4YZ 0.18511 -0.03777 0.12542 -0.00548 0.02582 61 5 C 1S -0.00737 -0.01806 0.06312 0.00399 -0.01317 62 2S -0.06025 -0.00608 0.02339 -0.00354 0.07406 63 2PX 0.11456 -0.02706 0.08674 -0.01238 0.02182 64 2PY -0.23340 -0.00407 0.01988 0.00064 -0.02991 65 2PZ -0.00157 0.01220 -0.03924 0.00250 0.00055 66 3S 0.46578 0.96609 -3.40329 0.15377 0.29178 67 3PX 0.07956 -0.45223 1.59531 -0.03136 -0.11795 68 3PY -0.84044 -0.15067 0.61436 0.06401 -0.17146 69 3PZ 0.15863 0.21865 -0.79619 0.00610 0.05331 70 4XX -0.20083 -0.07521 0.28279 0.00662 -0.07960 71 4YY 0.18615 0.13753 -0.49676 0.00825 -0.03905 72 4ZZ -0.01636 -0.08665 0.30137 0.01654 -0.04611 73 4XY 0.21172 -0.11918 0.40983 -0.00239 0.03691 74 4XZ 0.03806 0.02618 -0.09874 0.00780 0.01451 75 4YZ -0.14379 -0.00257 0.01445 0.00191 -0.02029 76 6 C 1S 0.01012 0.01791 -0.06506 0.00400 -0.04171 77 2S 0.01861 0.01051 -0.03432 -0.00185 0.27552 78 2PX -0.08605 0.01913 -0.07117 -0.00753 -0.01049 79 2PY -0.12817 -0.01663 0.06094 0.00483 -0.02020 80 2PZ 0.06425 -0.00448 0.01704 0.00320 0.00546 81 3S -0.43113 -0.92155 3.38516 0.02039 -0.06658 82 3PX -0.23631 0.39043 -1.40102 0.01900 -0.00990 83 3PY -0.80834 -0.34089 1.23645 -0.01855 -0.10187 84 3PZ 0.26304 -0.09242 0.33191 -0.02363 0.04105 85 4XX 0.23200 0.02404 -0.08972 0.00891 -0.14721 86 4YY -0.28482 -0.03992 0.14464 0.00688 -0.17387 87 4ZZ 0.06419 0.03983 -0.14507 0.01229 -0.16217 88 4XY -0.03295 -0.14512 0.51558 -0.00001 0.00239 89 4XZ -0.08557 0.05564 -0.19831 0.00954 -0.01013 90 4YZ 0.08925 0.08880 -0.31709 0.00436 0.00386 91 7 C 1S -0.01486 -0.01803 0.06347 0.00117 -0.05081 92 2S 0.06260 -0.00545 0.02021 0.02533 0.32260 93 2PX -0.22523 0.00591 -0.01232 -0.00982 0.01405 94 2PY 0.12285 0.02605 -0.08969 0.01355 -0.00725 95 2PZ 0.07134 -0.00702 0.02182 -0.01011 -0.00648 96 3S 0.69068 0.95182 -3.40280 -0.07718 0.21723 97 3PX -0.88573 0.03695 -0.18481 0.01837 -0.07622 98 3PY 0.41370 0.48820 -1.79118 -0.06021 0.02934 99 3PZ 0.28770 -0.11861 0.45331 0.05802 0.02156 100 4XX 0.07609 0.13271 -0.48430 0.01116 -0.18743 101 4YY 0.02418 -0.11350 0.41365 -0.00270 -0.19955 102 4ZZ -0.09738 -0.04844 0.16769 0.00218 -0.19530 103 4XY -0.39193 -0.05435 0.19039 -0.00431 0.00915 104 4XZ 0.00406 -0.09176 0.32801 -0.00498 -0.00900 105 4YZ 0.14073 0.03112 -0.11265 0.01171 -0.00209 106 8 C 1S 0.00726 0.01880 -0.06215 -0.05905 -0.01562 107 2S 0.07626 -0.00683 -0.01177 0.44329 0.12963 108 2PX -0.09492 -0.02429 0.08256 -0.01566 0.00331 109 2PY 0.39652 -0.01724 0.04782 0.04181 -0.07173 110 2PZ -0.03913 0.01322 -0.04143 0.03203 0.02499 111 3S -0.40573 -0.92157 3.24397 0.06566 0.40181 112 3PX -0.56432 -0.43853 1.65602 -0.03554 -0.16655 113 3PY 1.09389 -0.12160 0.52280 -0.07007 0.24146 114 3PZ 0.02087 0.21578 -0.82595 -0.05510 0.05602 115 4XX -0.24831 0.07869 -0.28760 -0.23163 -0.04502 116 4YY 0.28407 -0.12955 0.50124 -0.22598 -0.14885 117 4ZZ 0.05395 0.08765 -0.29553 -0.23512 -0.07673 118 4XY 0.51065 0.10971 -0.40705 -0.02703 -0.03494 119 4XZ 0.03469 -0.02356 0.09984 0.01421 0.00462 120 4YZ -0.25847 0.00386 -0.00357 0.00752 0.05912 121 9 H 1S -0.07334 -0.06808 0.26739 0.07186 0.00131 122 2S 0.09019 -0.06348 0.32147 -0.06968 -0.07554 123 10 H 1S 0.04554 0.06340 -0.23753 -0.00136 0.01874 124 2S 0.01387 0.07534 -0.29209 -0.02853 -0.04055 125 11 H 1S -0.04764 -0.06783 0.23757 -0.00463 0.01876 126 2S -0.05365 -0.08738 0.31476 -0.01601 -0.03602 127 12 H 1S 0.01283 0.06681 -0.24377 -0.00445 0.01645 128 2S 0.04287 0.08266 -0.30059 -0.01464 0.02479 129 13 H 1S -0.01068 -0.07036 0.24940 -0.01461 -0.02915 130 2S -0.03631 -0.08446 0.32945 -0.07451 -0.14656 131 14 O 1S 0.00875 -0.00182 0.01040 0.03469 -0.39312 132 2S -0.00531 -0.01470 -0.05642 0.07177 -0.46704 133 2PX -0.01467 0.00859 -0.01628 -0.01884 -0.00159 134 2PY -0.19268 0.00003 0.02093 -0.03527 0.25788 135 2PZ 0.12067 0.00057 -0.00175 0.01760 -0.14969 136 3S 0.30770 0.07794 -0.01961 -0.46161 5.33680 137 3PX -0.18368 -0.01215 -0.07204 0.08960 -0.00304 138 3PY -0.15363 -0.01830 -0.01918 0.12129 -0.99806 139 3PZ 0.25299 0.01232 0.05159 -0.11404 0.57351 140 4XX -0.07863 0.00510 0.03451 0.10540 -1.34251 141 4YY 0.14397 -0.00426 -0.00776 0.13286 -1.23391 142 4ZZ 0.23970 -0.01316 0.07271 0.09893 -1.31106 143 4XY 0.26669 -0.00930 0.11948 -0.02016 0.01547 144 4XZ -0.12532 0.01368 -0.08592 0.03357 0.00183 145 4YZ -0.33796 0.00123 -0.05522 0.04471 -0.06284 146 15 C 1S 0.00770 0.05083 0.02024 -0.02916 0.00491 147 2S 0.10110 0.05596 -0.03277 0.11750 -0.33018 148 2PX -0.00612 0.08432 0.01350 0.01862 -0.00253 149 2PY 0.00090 0.05633 0.01507 0.03179 -0.03520 150 2PZ -0.02798 0.05854 0.01183 -0.01556 0.05063 151 3S -0.51304 -3.22350 -0.94945 0.85491 1.01126 152 3PX -0.06390 1.56328 0.43864 0.50809 0.89422 153 3PY 0.11451 1.06406 0.29161 -0.62471 0.33445 154 3PZ -0.10262 1.11019 0.26274 1.07490 0.63065 155 4XX -0.04051 0.35297 0.11937 -0.04355 0.14624 156 4YY -0.09127 -0.23926 -0.03910 -0.04053 0.07175 157 4ZZ 0.08501 -0.10659 -0.01483 -0.09961 0.04768 158 4XY -0.07964 0.15291 0.03829 0.04120 0.09476 159 4XZ -0.01232 0.07615 -0.00229 0.02669 0.04691 160 4YZ -0.01404 0.60481 0.15995 0.02787 0.03293 161 16 C 1S -0.00650 -0.06677 -0.01599 -0.00052 0.00026 162 2S 0.05548 -0.01723 -0.04494 -0.00522 -0.07025 163 2PX 0.03652 -0.03894 -0.01511 0.00726 0.01963 164 2PY 0.04357 0.04296 0.01013 0.00136 -0.00464 165 2PZ -0.01362 -0.08612 -0.02019 0.00859 0.01592 166 3S 0.25766 3.46458 1.04396 0.02317 0.21227 167 3PX -0.04070 -0.80384 -0.24840 -0.80929 -0.32145 168 3PY 0.10931 0.80076 0.21381 -0.82709 -0.09121 169 3PZ -0.09423 -1.60368 -0.47105 -0.34526 -0.25933 170 4XX -0.02993 0.01522 0.01717 0.06591 0.01680 171 4YY -0.00079 0.27859 0.08272 -0.04129 -0.00450 172 4ZZ -0.01351 -0.39666 -0.09074 0.00883 0.01534 173 4XY 0.00354 0.54590 0.14724 0.01858 -0.01079 174 4XZ -0.01785 -0.00208 0.00605 0.04751 0.01926 175 4YZ -0.04685 0.16561 0.04382 0.07982 -0.00611 176 17 C 1S 0.00296 0.06596 0.01843 0.00567 0.02716 177 2S 0.01984 0.01407 0.02010 0.11344 -0.23385 178 2PX 0.01207 -0.03236 -0.01067 -0.01317 0.00218 179 2PY 0.00194 -0.08997 -0.02559 -0.02288 -0.02974 180 2PZ 0.01674 0.03249 0.00552 0.00085 0.02055 181 3S -0.22660 -3.47818 -1.03552 -1.04742 -0.29477 182 3PX 0.00000 -0.58822 -0.19333 -0.47022 -0.09011 183 3PY -0.11976 -1.71652 -0.51043 -0.30599 0.01912 184 3PZ 0.06612 0.61309 0.16554 -0.34209 -0.13196 185 4XX 0.02330 -0.08814 -0.02625 -0.04455 0.11015 186 4YY -0.00937 0.43144 0.10897 -0.02021 0.12405 187 4ZZ -0.00779 -0.24099 -0.06476 -0.02816 0.09380 188 4XY 0.00566 0.03155 0.00179 -0.04522 0.01324 189 4XZ 0.00105 -0.54977 -0.14764 -0.05750 -0.00378 190 4YZ 0.01591 -0.09921 -0.02494 -0.02111 -0.00386 191 18 C 1S -0.00127 -0.06623 -0.01820 -0.00060 0.05722 192 2S -0.01750 -0.04070 -0.01859 -0.07203 -0.43229 193 2PX 0.00116 0.07106 0.01939 -0.00206 -0.01899 194 2PY -0.00831 0.04863 0.01197 0.00379 -0.03330 195 2PZ 0.00881 0.04979 0.01360 -0.00641 -0.00111 196 3S 0.20549 3.49507 0.99537 0.30280 -0.13515 197 3PX 0.08530 1.39709 0.40634 0.27652 0.05626 198 3PY 0.01754 0.95783 0.28311 0.33406 0.07235 199 3PZ 0.09614 0.97828 0.28220 0.08424 0.00548 200 4XX 0.00054 -0.36933 -0.09562 0.00609 0.22668 201 4YY -0.01175 0.20958 0.05592 0.04478 0.21222 202 4ZZ 0.01601 0.07607 0.01963 0.02095 0.23379 203 4XY -0.01372 -0.11168 -0.02702 0.00641 -0.00214 204 4XZ 0.01641 -0.03710 -0.00696 -0.00260 0.01134 205 4YZ -0.00517 -0.58410 -0.15192 -0.02772 0.00096 206 19 C 1S 0.00463 0.06615 0.01796 0.00136 0.09016 207 2S 0.00988 0.01726 0.01604 0.11218 -0.63483 208 2PX -0.02533 -0.04290 -0.01015 -0.00047 -0.02388 209 2PY -0.02304 0.03823 0.01089 0.01229 -0.01126 210 2PZ -0.01258 -0.08320 -0.02162 -0.00985 -0.03593 211 3S -0.21771 -3.48431 -0.99309 -0.95754 -0.29787 212 3PX -0.10068 -0.75976 -0.21560 -0.22726 -0.00974 213 3PY 0.01846 0.81133 0.22747 0.06772 -0.02847 214 3PZ -0.13129 -1.57730 -0.45104 -0.34491 0.06004 215 4XX -0.02208 -0.01474 -0.00290 -0.02700 0.33029 216 4YY 0.02301 -0.28358 -0.07688 -0.04937 0.33260 217 4ZZ -0.00247 0.39798 0.10119 -0.01729 0.36170 218 4XY -0.02491 -0.54593 -0.14373 -0.03136 -0.02626 219 4XZ -0.03645 0.00562 -0.00132 -0.01119 -0.00775 220 4YZ -0.02155 -0.16416 -0.04101 0.00021 -0.01925 221 20 C 1S -0.00871 -0.06618 -0.02052 -0.04347 0.11192 222 2S -0.02826 -0.03872 -0.00664 0.30659 -0.83963 223 2PX -0.03831 -0.03614 -0.00753 0.04761 -0.00612 224 2PY 0.00632 -0.09182 -0.02877 0.00106 -0.01843 225 2PZ -0.03885 0.02759 0.01071 0.04865 0.03667 226 3S 0.25962 3.48519 0.99457 1.16150 0.10697 227 3PX -0.03012 -0.60018 -0.17123 -0.30961 -0.03178 228 3PY -0.11078 -1.77005 -0.47267 -0.47298 -0.13111 229 3PZ 0.01566 0.63964 0.17904 0.01346 0.00795 230 4XX 0.00369 0.09199 0.01634 -0.13306 0.45619 231 4YY -0.01254 -0.42441 -0.11885 -0.18121 0.45634 232 4ZZ -0.02680 0.24814 0.06196 -0.15884 0.46357 233 4XY 0.06333 -0.02986 -0.00286 0.01039 0.01190 234 4XZ 0.02618 0.55534 0.14871 0.02598 0.00608 235 4YZ 0.04433 0.09421 0.01988 0.03377 -0.03455 236 21 H 1S -0.00989 0.25132 0.06525 0.07329 -0.03512 237 2S 0.03464 0.33308 0.07572 0.05020 0.06468 238 22 H 1S -0.00685 -0.25052 -0.06470 0.00408 -0.03635 239 2S -0.04104 -0.30545 -0.09015 -0.07715 0.11590 240 23 H 1S 0.00378 0.24835 0.06632 0.03877 -0.01899 241 2S 0.02350 0.32350 0.09916 0.10690 0.07927 242 24 H 1S 0.00187 -0.24902 -0.06432 0.02369 -0.00538 243 2S -0.02905 -0.30034 -0.09509 -0.05256 0.06567 244 25 H 1S 0.00702 0.25750 0.06492 0.08965 0.02651 245 2S 0.02348 0.32187 0.08352 -0.01619 0.09804 246 26 O 1S 0.00475 0.01921 0.00013 -0.52615 -0.09347 247 2S 0.10341 0.00822 0.04771 -0.29896 -0.13424 248 2PX 0.02276 0.01024 0.00743 0.12058 0.02578 249 2PY -0.01865 -0.00149 -0.00074 -0.06288 0.00031 250 2PZ 0.00386 0.01606 0.01386 0.12636 0.03103 251 3S -0.36660 -0.20498 -0.16703 5.91872 1.34806 252 3PX -0.01087 0.01331 0.05093 -0.62212 -0.22205 253 3PY -0.07480 -0.04514 -0.07148 0.51296 0.04419 254 3PZ 0.26687 0.04682 0.09487 -0.93451 -0.31680 255 4XX 0.11128 0.05882 -0.00660 -1.77996 -0.30538 256 4YY -0.03071 0.07534 0.00605 -1.78117 -0.35085 257 4ZZ -0.11285 0.01297 -0.05154 -1.52323 -0.22130 258 4XY 0.02373 0.03103 0.02162 -0.08021 -0.02211 259 4XZ -0.04533 -0.03306 -0.05626 0.07686 0.03907 260 4YZ 0.07425 0.02158 0.04297 -0.15047 -0.01757 261 27 H 1S -0.05027 -0.00095 0.00074 -0.01034 -0.02041 262 2S -0.06016 0.01478 -0.01991 -0.40264 -0.07851 263 28 H 1S -0.04544 -0.02568 -0.01849 0.07581 0.05663 264 2S 0.01915 -0.00403 -0.02463 0.00393 -0.16589 251 252 253 254 255 V V V V V Eigenvalues -- 4.51260 4.51496 4.54030 4.54736 4.57246 1 1 C 1S -0.01378 -0.01575 0.02080 -0.01448 -0.04654 2 2S -0.01651 0.23968 -0.11423 -0.12159 0.39337 3 2PX 0.00751 -0.00803 0.01094 0.00488 -0.00602 4 2PY -0.00582 0.00446 0.00763 -0.01564 -0.00336 5 2PZ 0.00172 -0.00590 -0.00440 0.01279 -0.00211 6 3S 0.43730 -0.40288 -0.01293 0.85959 0.05878 7 3PX 0.00718 0.14246 0.04390 0.05477 0.13342 8 3PY -0.20595 0.21183 -0.08211 -0.27340 0.17365 9 3PZ 0.06322 0.11962 0.06434 -0.04895 0.27002 10 4XX -0.00581 -0.11229 0.06641 0.03020 -0.22836 11 4YY -0.03461 -0.09375 0.08229 -0.00841 -0.20553 12 4ZZ -0.02204 -0.09876 0.07013 0.01159 -0.20914 13 4XY 0.00777 0.00555 -0.00473 0.01134 0.01606 14 4XZ -0.00681 0.00739 -0.00954 0.00007 0.02088 15 4YZ -0.00384 0.00026 -0.00935 -0.00316 -0.01929 16 2 C 1S -0.03697 0.03891 0.02086 -0.05278 0.01260 17 2S 0.29743 -0.27340 -0.07553 0.35360 -0.25865 18 2PX 0.02778 -0.02708 -0.02356 0.01934 0.02960 19 2PY -0.02336 0.00674 0.00513 -0.02568 -0.05898 20 2PZ -0.00772 0.00445 0.00221 0.00674 -0.02081 21 3S -0.26063 -0.57962 -0.07930 0.32061 -1.40056 22 3PX -0.17989 0.02789 0.02417 0.16793 -0.09139 23 3PY 0.19195 -0.41156 0.13388 0.37600 -1.11959 24 3PZ 0.00504 0.22521 -0.03742 -0.30924 0.68413 25 4XX -0.14254 0.16350 0.03834 -0.19727 0.19432 26 4YY -0.17080 0.17665 0.05713 -0.25403 0.14670 27 4ZZ -0.16257 0.17585 0.07077 -0.22683 0.11377 28 4XY -0.03066 0.01855 0.03486 -0.02141 -0.07346 29 4XZ 0.01287 -0.00386 0.01047 0.00507 -0.00516 30 4YZ 0.02767 -0.01291 -0.00597 0.02630 0.03308 31 3 C 1S -0.09208 0.04602 0.07756 -0.06485 -0.19949 32 2S 0.66720 -0.28260 -0.51325 0.40642 1.31310 33 2PX 0.06127 0.01709 -0.05349 -0.08277 0.03591 34 2PY -0.03674 -0.02283 -0.06069 -0.09464 -0.05493 35 2PZ -0.01994 -0.00080 0.03306 0.05123 -0.00326 36 3S 0.11977 -0.06937 -0.05573 0.23963 0.12427 37 3PX -0.30233 0.08910 -0.02101 -0.14200 0.33034 38 3PY 0.35119 0.07780 0.00438 -0.28883 0.62093 39 3PZ 0.04644 -0.10804 0.01651 0.16637 -0.40665 40 4XX -0.33028 0.18283 0.25316 -0.33204 -0.75076 41 4YY -0.34271 0.19397 0.36107 -0.13903 -0.74346 42 4ZZ -0.34940 0.18147 0.29285 -0.27069 -0.77303 43 4XY 0.01855 0.02052 -0.02892 -0.04385 0.07960 44 4XZ -0.01657 0.00408 0.03560 0.04364 -0.01003 45 4YZ -0.01317 -0.00755 -0.00416 -0.00504 -0.03895 46 4 C 1S -0.15112 -0.00472 0.17322 0.16686 -0.19377 47 2S 1.04965 0.05707 -1.08511 -1.05042 1.22027 48 2PX 0.04277 0.04247 -0.01199 -0.11106 -0.08427 49 2PY -0.05910 -0.02084 -0.01513 -0.00104 0.04212 50 2PZ -0.00424 -0.01878 0.00877 0.05128 0.01741 51 3S 0.39998 -0.10648 -0.51898 -0.23533 0.45844 52 3PX 0.00651 0.05278 -0.00710 -0.04827 0.37964 53 3PY -0.10051 0.08265 0.07606 -0.03428 -0.13900 54 3PZ 0.02053 -0.01635 -0.01852 0.01205 -0.08157 55 4XX -0.54572 -0.02601 0.65886 0.66798 -0.76128 56 4YY -0.57655 -0.01392 0.65860 0.60964 -0.76476 57 4ZZ -0.58310 -0.02313 0.67073 0.66416 -0.73514 58 4XY -0.03790 -0.03939 0.00553 0.07164 0.05127 59 4XZ -0.01090 0.01244 0.00675 -0.02324 -0.00541 60 4YZ 0.01307 0.01362 0.00158 -0.01719 -0.02149 61 5 C 1S -0.22833 -0.06736 0.09713 0.21239 0.05687 62 2S 1.55493 0.44991 -0.63119 -1.30313 -0.28455 63 2PX -0.01919 0.00877 0.02897 -0.00513 -0.07921 64 2PY -0.05173 -0.03226 -0.09718 -0.07300 0.14608 65 2PZ 0.01896 0.00434 0.00760 0.01756 0.00426 66 3S 0.32511 0.15488 -0.17102 -0.72309 -0.42520 67 3PX 0.07792 -0.01421 -0.04549 0.09747 0.18442 68 3PY 0.03883 -0.00998 0.04917 0.13345 -0.21822 69 3PZ -0.04207 -0.00278 0.01342 -0.06459 -0.05202 70 4XX -0.89815 -0.27593 0.33678 0.78312 0.26019 71 4YY -0.81408 -0.23816 0.41277 0.82778 0.14903 72 4ZZ -0.88986 -0.26104 0.38180 0.82304 0.21225 73 4XY -0.00725 0.01563 0.04963 0.03113 -0.07645 74 4XZ 0.00517 0.00528 0.00950 0.01338 0.00052 75 4YZ -0.01538 -0.01290 -0.02873 -0.01198 0.04727 76 6 C 1S -0.25933 -0.09567 -0.06931 0.00969 0.20937 77 2S 1.72423 0.61945 0.44751 -0.05546 -1.28418 78 2PX -0.02206 -0.00444 -0.04062 -0.09297 -0.06391 79 2PY 0.03086 -0.00085 -0.07876 -0.11389 0.02515 80 2PZ 0.00237 0.00085 0.03416 0.06396 0.01887 81 3S 0.67462 0.21520 0.09783 -0.04129 -0.65380 82 3PX -0.03778 -0.01644 0.07433 0.09607 -0.01842 83 3PY 0.02152 0.01463 0.00119 0.13289 -0.04910 84 3PZ 0.01478 0.01183 -0.03749 -0.06849 0.03600 85 4XX -0.98929 -0.36123 -0.22078 0.12332 0.83453 86 4YY -0.95795 -0.35725 -0.33537 -0.05912 0.81800 87 4ZZ -0.99630 -0.36813 -0.26495 0.05376 0.82429 88 4XY 0.03458 0.00984 0.00889 0.02805 0.02788 89 4XZ -0.01691 -0.00873 -0.02577 -0.04793 -0.01805 90 4YZ -0.02618 -0.00710 0.01137 0.01069 -0.01138 91 7 C 1S -0.19886 -0.07028 -0.15396 -0.21154 0.01586 92 2S 1.37637 0.47747 0.91483 1.33143 -0.01240 93 2PX 0.06084 0.03404 -0.01156 -0.08893 -0.14931 94 2PY 0.02787 -0.00337 -0.01550 -0.00693 0.04446 95 2PZ -0.03057 -0.01290 0.00649 0.04191 0.05638 96 3S 0.25607 0.09002 0.68668 0.62027 -0.32683 97 3PX -0.03954 0.01154 -0.03075 0.15217 0.06853 98 3PY -0.10091 -0.01866 0.18566 0.10804 -0.21855 99 3PZ 0.03093 -0.01104 -0.01358 -0.09695 -0.00935 100 4XX -0.72236 -0.26331 -0.56507 -0.82538 0.01640 101 4YY -0.79379 -0.28393 -0.56569 -0.78373 0.06932 102 4ZZ -0.76284 -0.26912 -0.59228 -0.82949 0.03628 103 4XY 0.02502 0.02237 -0.01158 -0.05863 -0.10555 104 4XZ -0.03023 -0.00930 -0.01474 0.01474 0.04398 105 4YZ -0.00759 -0.00853 -0.00074 0.01267 0.03984 106 8 C 1S -0.10678 -0.01202 -0.07386 -0.21513 -0.21105 107 2S 0.74705 0.10175 0.49411 1.36757 1.29854 108 2PX 0.06897 0.02410 0.02824 0.02178 -0.04893 109 2PY -0.01469 -0.03368 -0.09453 -0.05888 0.09459 110 2PZ -0.03059 -0.00552 0.01375 -0.00637 -0.00600 111 3S 0.39484 0.12038 -0.05723 0.34372 1.33089 112 3PX 0.05284 -0.01299 -0.12496 -0.04228 0.21862 113 3PY 0.05335 -0.03972 0.11287 -0.20897 0.18822 114 3PZ -0.02146 0.03827 0.00909 0.07069 -0.06809 115 4XX -0.38998 -0.02721 -0.26413 -0.79872 -0.83973 116 4YY -0.36756 -0.06919 -0.32522 -0.82900 -0.75930 117 4ZZ -0.41157 -0.05120 -0.29364 -0.83664 -0.81344 118 4XY -0.03916 -0.03414 -0.03068 -0.04754 0.05897 119 4XZ -0.00081 0.00082 -0.00993 -0.01088 0.00699 120 4YZ 0.00660 0.02701 0.01881 0.01358 -0.02145 121 9 H 1S 0.05641 0.01949 0.00722 0.10796 0.08089 122 2S -0.09060 -0.08100 -0.00631 -0.28882 -0.12437 123 10 H 1S 0.08841 0.03229 0.06228 0.09152 -0.00706 124 2S -0.17619 -0.05189 -0.06418 -0.10202 -0.04551 125 11 H 1S 0.11748 0.04416 0.02278 -0.00085 -0.07043 126 2S -0.18854 -0.06216 -0.06348 0.00711 0.14712 127 12 H 1S 0.10198 0.03166 -0.03903 -0.08843 -0.01220 128 2S -0.19440 -0.04745 0.07596 0.10887 0.00909 129 13 H 1S 0.07998 0.00641 -0.07280 -0.06781 0.09966 130 2S -0.08295 -0.04511 0.10545 0.12888 -0.14481 131 14 O 1S 0.01349 -0.09410 0.00424 0.07139 -0.22784 132 2S 0.03549 -0.11869 -0.01237 0.09424 -0.26563 133 2PX 0.00033 0.00252 0.00398 0.00074 0.00729 134 2PY -0.03228 0.05615 0.01201 -0.05489 0.08197 135 2PZ 0.01653 -0.03227 -0.00052 0.03362 -0.05583 136 3S -0.17899 1.29993 -0.07268 -1.00186 3.25320 137 3PX 0.02282 -0.01753 -0.02401 -0.01827 -0.01226 138 3PY 0.02099 -0.25467 -0.00323 0.16644 -0.65104 139 3PZ -0.01629 0.14718 -0.01839 -0.08367 0.39274 140 4XX 0.04307 -0.31964 0.01751 0.23674 -0.78407 141 4YY 0.05632 -0.29148 0.01301 0.24266 -0.66865 142 4ZZ 0.05317 -0.31170 0.00340 0.24106 -0.73180 143 4XY -0.00148 0.00821 -0.00069 -0.00576 0.01686 144 4XZ 0.01130 -0.00189 -0.01198 -0.00441 0.02003 145 4YZ -0.00658 -0.02124 0.00073 -0.00813 -0.07385 146 15 C 1S 0.00419 -0.03564 0.03145 -0.00754 -0.00739 147 2S 0.00353 0.25035 -0.21990 0.14431 0.02787 148 2PX 0.02549 -0.05920 -0.01217 0.02158 0.01668 149 2PY 0.01448 -0.06290 0.09490 -0.05304 0.01765 150 2PZ 0.01008 -0.01096 -0.09131 0.05274 -0.00005 151 3S -0.17910 0.05168 0.00157 -0.40963 0.04273 152 3PX -0.19428 0.41025 0.00757 -0.27737 0.16313 153 3PY 0.05333 0.32123 0.08675 0.00443 0.36114 154 3PZ -0.21797 0.21380 -0.06932 -0.23501 -0.04401 155 4XX 0.00003 -0.11526 0.13523 -0.06858 -0.00150 156 4YY -0.01727 -0.09887 0.05062 -0.02614 -0.09686 157 4ZZ 0.00231 -0.12301 0.19307 -0.09239 -0.02106 158 4XY -0.01441 0.02420 -0.06093 0.01054 -0.00235 159 4XZ -0.00277 -0.00030 0.05512 -0.05548 0.02991 160 4YZ 0.01175 -0.01653 -0.00974 0.00792 0.03388 161 16 C 1S 0.03427 -0.13428 0.20021 -0.10885 0.07489 162 2S -0.26011 0.90662 -1.25255 0.64736 -0.52393 163 2PX 0.01458 -0.06953 0.03337 -0.03397 0.00728 164 2PY 0.01982 -0.04484 0.05783 -0.03181 0.03550 165 2PZ 0.01058 -0.04602 -0.01477 0.00623 -0.01727 166 3S -0.00104 0.47853 -0.47469 0.31455 0.04081 167 3PX 0.10859 -0.01156 0.02652 0.18749 0.10806 168 3PY 0.09662 0.10091 0.00895 0.14226 0.20472 169 3PZ 0.01278 -0.10109 0.05588 0.01194 -0.06516 170 4XX 0.12555 -0.47290 0.75103 -0.39989 0.29963 171 4YY 0.15131 -0.51339 0.78499 -0.40868 0.33630 172 4ZZ 0.13617 -0.50822 0.75899 -0.40403 0.29941 173 4XY 0.00027 0.03465 -0.01513 0.01918 0.01768 174 4XZ -0.01233 0.03530 -0.03256 0.01547 -0.01148 175 4YZ -0.02143 0.03804 -0.02080 0.00023 -0.03049 176 17 C 1S 0.06320 -0.24973 0.18179 -0.11442 0.05028 177 2S -0.42049 1.67312 -1.13921 0.71792 -0.31857 178 2PX 0.00707 -0.02738 -0.05514 0.03082 -0.03545 179 2PY -0.00437 0.02134 0.02029 -0.01083 0.00904 180 2PZ 0.01166 -0.05280 -0.08218 0.04437 -0.05392 181 3S -0.07440 0.42459 -0.51270 0.45893 -0.19147 182 3PX 0.02776 -0.00838 0.04463 0.02208 0.06091 183 3PY 0.00093 -0.06305 -0.05278 0.04140 -0.04443 184 3PZ 0.04896 0.04842 0.08196 0.03414 0.13028 185 4XX 0.24157 -0.96168 0.67949 -0.43297 0.18727 186 4YY 0.24588 -0.97164 0.69086 -0.43638 0.19766 187 4ZZ 0.23248 -0.92178 0.72967 -0.45665 0.22002 188 4XY 0.00563 -0.01988 -0.04599 0.02460 -0.02080 189 4XZ -0.00830 0.03384 -0.00661 0.00373 0.00926 190 4YZ 0.00912 -0.02453 -0.04422 0.02892 -0.02804 191 18 C 1S 0.06783 -0.27309 -0.03679 0.01585 -0.07433 192 2S -0.44818 1.79908 0.23562 -0.09414 0.45217 193 2PX -0.00595 0.02274 -0.01230 0.00788 -0.01538 194 2PY -0.00150 -0.00646 0.11348 -0.07201 0.03143 195 2PZ -0.00507 0.03260 -0.10455 0.06820 -0.04287 196 3S -0.13673 0.69609 0.06307 0.00746 0.29604 197 3PX -0.00227 0.03536 -0.00805 -0.00354 0.04127 198 3PY -0.02738 0.02992 -0.10521 0.03453 -0.05086 199 3PZ 0.01246 0.01417 0.07632 -0.04474 0.07136 200 4XX 0.26349 -1.05718 -0.15100 0.06693 -0.28850 201 4YY 0.25091 -1.02603 -0.06946 0.00876 -0.26383 202 4ZZ 0.25232 -1.01363 -0.20943 0.09976 -0.30959 203 4XY 0.00034 -0.01046 0.06086 -0.04065 0.02208 204 4XZ -0.00221 0.01600 -0.05753 0.03664 -0.01831 205 4YZ 0.01301 -0.04707 0.00714 -0.00001 0.00200 206 19 C 1S 0.05282 -0.18290 -0.21858 0.13963 -0.09106 207 2S -0.35764 1.24945 1.35187 -0.86098 0.55228 208 2PX 0.00766 -0.03698 0.02279 -0.01399 -0.02273 209 2PY 0.01786 -0.08359 0.05680 -0.03994 -0.01864 210 2PZ -0.00352 0.01557 -0.01669 0.01582 -0.02193 211 3S -0.06727 0.27811 0.71832 -0.40534 0.35035 212 3PX -0.00290 -0.00871 0.02510 -0.01014 0.02500 213 3PY -0.02206 0.06213 -0.09641 0.06784 -0.01437 214 3PZ 0.01561 -0.04363 0.10940 -0.06545 0.08723 215 4XX 0.20577 -0.72272 -0.82042 0.52522 -0.36377 216 4YY 0.19044 -0.64810 -0.85122 0.55003 -0.34137 217 4ZZ 0.20736 -0.72181 -0.82745 0.52724 -0.34501 218 4XY -0.00658 0.02119 0.01393 -0.00486 -0.00647 219 4XZ 0.00523 -0.03165 0.03264 -0.02214 -0.00902 220 4YZ 0.00654 -0.03233 0.01884 -0.01197 -0.01799 221 20 C 1S 0.02432 -0.05253 -0.17062 0.10946 0.00350 222 2S -0.17082 0.39501 1.08682 -0.68489 -0.07368 223 2PX 0.01532 -0.06375 -0.06470 0.04093 -0.05213 224 2PY 0.01297 -0.06016 0.01086 -0.00248 -0.03038 225 2PZ 0.00669 -0.02303 -0.08436 0.04518 -0.02111 226 3S -0.18252 0.16244 0.28416 -0.35766 -0.15508 227 3PX -0.00882 0.00485 0.01762 0.00653 0.07276 228 3PY 0.03403 -0.03612 0.02331 0.03700 0.04390 229 3PZ -0.04808 0.01576 -0.00435 -0.02914 -0.02941 230 4XX 0.08423 -0.16380 -0.63625 0.40408 0.05684 231 4YY 0.09557 -0.20295 -0.64941 0.41494 0.03463 232 4ZZ 0.09189 -0.18645 -0.68733 0.43396 0.03695 233 4XY -0.01014 0.02547 0.04790 -0.03550 0.02625 234 4XZ -0.00453 0.02943 0.00918 -0.00638 0.03574 235 4YZ -0.00901 0.02613 0.04226 -0.02387 0.00236 236 21 H 1S -0.01442 0.03662 0.06927 -0.04834 -0.00111 237 2S 0.01578 -0.05098 -0.12820 0.07809 -0.02738 238 22 H 1S -0.02363 0.08193 0.09055 -0.05888 0.03567 239 2S 0.04189 -0.15094 -0.11681 0.06768 -0.03479 240 23 H 1S -0.03219 0.12234 0.01369 -0.00973 0.02720 241 2S 0.04685 -0.19311 -0.03039 0.00432 -0.04341 242 24 H 1S -0.03138 0.10800 -0.07413 0.04139 -0.02539 243 2S 0.04013 -0.20108 0.11305 -0.08475 0.02650 244 25 H 1S -0.03429 0.06394 -0.08201 0.00957 -0.04787 245 2S 0.04187 -0.05758 0.12245 -0.03814 0.11331 246 26 O 1S 0.03922 0.00078 0.01146 0.04988 0.06827 247 2S 0.04668 -0.00280 0.00260 0.06739 0.06028 248 2PX -0.00300 -0.00388 0.00361 -0.00632 0.00863 249 2PY 0.00450 0.00754 -0.00511 0.00551 0.01687 250 2PZ -0.01918 -0.00470 0.00396 -0.02568 -0.04240 251 3S -0.51799 0.01798 -0.13790 -0.66953 -0.77584 252 3PX 0.03900 -0.01828 0.00399 0.06936 -0.04111 253 3PY -0.04124 -0.02259 0.00154 -0.05624 -0.10833 254 3PZ 0.11842 -0.02344 0.01853 0.16729 0.16475 255 4XX 0.13180 0.00221 0.04213 0.16598 0.24469 256 4YY 0.14116 -0.00047 0.03127 0.18655 0.22805 257 4ZZ 0.10817 0.01782 0.03157 0.12753 0.21705 258 4XY 0.00701 -0.01153 0.01001 0.00653 -0.00016 259 4XZ 0.00362 0.00456 -0.00319 -0.01003 0.03044 260 4YZ 0.01195 -0.00322 0.00172 0.01894 0.02960 261 27 H 1S 0.00115 0.00089 -0.00752 0.00487 -0.02222 262 2S 0.01144 0.00261 0.01040 0.02070 0.00923 263 28 H 1S -0.00192 0.02558 0.00265 -0.02222 0.02677 264 2S 0.00040 -0.05134 0.02824 0.02183 -0.12559 256 257 258 259 260 V V V V V Eigenvalues -- 4.59474 4.69728 4.75853 4.76248 4.80142 1 1 C 1S -0.08425 -0.27179 0.00090 0.02630 0.10953 2 2S 0.22414 1.12650 0.14611 -0.12257 -0.20776 3 2PX -0.02657 -0.02210 -0.00015 -0.00631 0.02155 4 2PY -0.00391 0.03011 0.00710 -0.00806 -0.01928 5 2PZ -0.02141 -0.01067 -0.00660 0.01519 0.01127 6 3S 1.06176 2.18459 -0.57045 -0.17810 -1.40913 7 3PX 0.46248 -0.01866 -0.13970 -0.02234 -0.14731 8 3PY -0.18645 -0.03159 0.22346 -0.08325 0.44318 9 3PZ 0.09196 -0.25749 -0.05694 0.01088 0.28334 10 4XX -0.17928 -0.86755 -0.05777 0.09223 0.26114 11 4YY -0.26347 -0.95374 -0.03665 0.09609 0.32140 12 4ZZ -0.19998 -0.91392 -0.05235 0.09276 0.31076 13 4XY 0.09979 0.09926 -0.01924 -0.01919 -0.05539 14 4XZ 0.02457 -0.03834 -0.01028 0.01888 -0.00067 15 4YZ -0.00055 -0.01065 0.01533 0.00617 -0.03049 16 2 C 1S -0.02426 -0.25460 0.01944 0.01317 0.02473 17 2S 0.29020 1.24663 -0.13423 -0.11695 -0.47799 18 2PX -0.04391 -0.01089 0.00368 0.02367 0.05959 19 2PY -0.04374 -0.08668 0.02836 0.01453 -0.05093 20 2PZ 0.01653 0.06838 -0.00088 -0.00093 -0.03515 21 3S -1.61129 -0.44614 0.31320 0.57257 -0.45298 22 3PX 0.32307 0.40642 -0.10561 -0.01634 -0.30121 23 3PY -0.31486 -1.32883 0.03589 0.30561 -1.12695 24 3PZ 0.13736 0.40825 -0.00485 -0.22187 0.76888 25 4XX -0.13473 -0.83684 0.08033 0.07561 0.28936 26 4YY -0.15961 -1.05173 0.10615 0.07465 0.27625 27 4ZZ -0.10409 -0.89470 0.08198 0.04236 0.13516 28 4XY 0.03033 0.01907 -0.00242 -0.03227 -0.11337 29 4XZ 0.02880 -0.03439 -0.01586 -0.01758 -0.00673 30 4YZ 0.04471 0.10664 -0.02595 -0.01657 0.02424 31 3 C 1S -0.00201 -0.07453 0.01543 -0.03584 -0.23933 32 2S -0.09043 0.48092 -0.06320 0.23451 1.54424 33 2PX -0.01205 -0.13511 0.10759 -0.02189 -0.03143 34 2PY 0.00158 0.09763 0.13294 -0.03418 0.02123 35 2PZ 0.00445 0.03483 -0.07173 0.01850 0.01575 36 3S 0.49463 0.27004 -0.20633 0.18831 0.56692 37 3PX -0.17594 0.92377 -0.15711 -0.05998 0.49762 38 3PY 0.10177 0.22781 -0.16468 -0.31337 0.39680 39 3PZ -0.05359 -0.51916 0.12262 0.13577 -0.41474 40 4XX 0.06382 -0.24707 0.13655 -0.20611 -1.06808 41 4YY 0.05032 -0.39175 -0.07019 -0.12202 -1.09459 42 4ZZ -0.00494 -0.30498 0.07813 -0.14707 -0.94676 43 4XY -0.02974 -0.13063 0.04147 0.00197 0.01077 44 4XZ -0.00095 0.03646 -0.05601 0.02151 0.08749 45 4YZ 0.00841 0.09167 0.01073 0.00184 0.03362 46 4 C 1S 0.00211 0.10577 -0.23530 0.06966 0.04813 47 2S 0.00853 -0.55502 1.36904 -0.43383 -0.34875 48 2PX -0.01106 -0.05064 -0.06857 -0.00101 -0.13303 49 2PY 0.00838 -0.01611 0.14394 -0.04310 -0.01569 50 2PZ -0.00438 0.01789 -0.00349 0.01240 0.05541 51 3S 0.09438 -0.97977 1.61408 -0.28553 -0.38304 52 3PX 0.23642 0.59684 -0.02602 -0.16760 0.27248 53 3PY -0.12555 0.07255 -0.31515 0.10666 -0.05184 54 3PZ -0.02966 -0.23884 0.07777 0.03564 -0.06798 55 4XX -0.00222 0.45249 -1.07885 0.33837 0.27316 56 4YY -0.00408 0.36092 -0.95820 0.28764 0.19771 57 4ZZ 0.00990 0.41126 -0.90193 0.27306 0.22036 58 4XY -0.02153 -0.02995 0.10581 -0.00817 0.07806 59 4XZ 0.01071 -0.01732 0.07387 -0.03635 -0.06821 60 4YZ 0.01089 0.02421 -0.02419 -0.00218 -0.04353 61 5 C 1S 0.01736 0.05377 0.23155 -0.04131 0.14010 62 2S -0.07124 -0.27567 -1.36694 0.25047 -0.78367 63 2PX 0.00277 0.01863 -0.15053 0.03450 -0.03462 64 2PY 0.01015 -0.07056 0.04406 -0.02994 -0.12473 65 2PZ -0.00134 0.00926 0.05270 -0.00745 0.04141 66 3S -0.39096 -0.63812 -1.48599 0.28163 -1.13806 67 3PX 0.11891 0.15886 0.31734 -0.06192 0.27083 68 3PY -0.05507 -0.06729 0.04361 0.10904 0.13900 69 3PZ -0.05698 -0.06612 -0.13934 0.00385 -0.15578 70 4XX 0.05710 0.16153 0.97898 -0.18498 0.50795 71 4YY 0.03883 0.22387 1.05475 -0.18323 0.70572 72 4ZZ 0.06329 0.20497 0.87318 -0.15692 0.52454 73 4XY 0.00982 0.05469 -0.12954 0.03212 0.00053 74 4XZ 0.00379 0.01022 -0.02770 0.00780 0.00651 75 4YZ 0.00123 -0.02721 0.00684 -0.00521 -0.04574 76 6 C 1S 0.00965 -0.11308 -0.00550 -0.02849 -0.21414 77 2S -0.09957 0.63154 0.02815 0.16239 1.24818 78 2PX -0.01133 0.03539 -0.09899 0.03717 0.09376 79 2PY -0.01399 -0.05056 -0.13437 0.02432 -0.08640 80 2PZ 0.00512 -0.00574 0.06994 -0.02003 -0.02371 81 3S 0.05123 0.87526 0.10580 0.19889 1.73887 82 3PX -0.08997 -0.29986 0.07187 -0.03170 -0.37920 83 3PY 0.15934 0.21587 0.14909 0.04275 0.22807 84 3PZ 0.02335 0.09240 -0.06527 0.00503 0.12391 85 4XX 0.05840 -0.45234 0.07609 -0.14251 -0.90657 86 4YY 0.05327 -0.47375 -0.13513 -0.09290 -0.97437 87 4ZZ 0.04707 -0.43249 -0.00461 -0.11455 -0.83217 88 4XY 0.01304 -0.02158 0.02449 -0.01684 -0.09612 89 4XZ -0.01497 0.01782 -0.05174 0.02098 0.07607 90 4YZ -0.00784 0.02245 0.01781 0.00344 0.08650 91 7 C 1S -0.01422 0.06099 -0.22672 0.06882 0.13543 92 2S 0.16584 -0.23182 1.34613 -0.40103 -0.76686 93 2PX 0.00296 0.10315 0.07944 -0.00326 0.10477 94 2PY -0.02013 -0.01441 -0.14748 0.04039 0.06570 95 2PZ 0.00631 -0.03892 -0.00520 -0.00501 -0.05729 96 3S -0.48028 -0.96268 1.40531 -0.47597 -1.06439 97 3PX 0.22549 0.02243 -0.09017 0.06782 -0.29624 98 3PY -0.20115 -0.44610 0.26528 -0.07150 -0.32798 99 3PZ -0.08572 0.06598 -0.00646 -0.02126 0.17911 100 4XX -0.11128 0.18404 -1.04731 0.31894 0.66116 101 4YY -0.08425 0.16439 -0.93674 0.27667 0.50611 102 4ZZ -0.06565 0.22954 -0.87164 0.26655 0.53103 103 4XY 0.02023 0.08733 0.10858 -0.01791 0.02902 104 4XZ 0.02529 0.00378 0.07449 -0.02571 -0.08484 105 4YZ -0.00778 -0.02436 -0.02371 0.00069 -0.01475 106 8 C 1S -0.00572 0.12618 0.24373 -0.05487 0.04924 107 2S 0.02271 -0.80222 -1.44761 0.31537 -0.33307 108 2PX -0.00569 -0.00890 0.14094 -0.02920 -0.01643 109 2PY 0.01167 0.11152 -0.05507 0.02837 0.15987 110 2PZ -0.01394 -0.02293 -0.04346 0.00005 -0.02799 111 3S 0.35105 0.22782 -1.51610 0.19784 0.19955 112 3PX 0.30729 0.30710 -0.22197 -0.00232 0.07172 113 3PY -0.41915 -0.11416 0.04330 -0.23493 0.29021 114 3PZ 0.02321 -0.07011 0.06662 0.05418 -0.04599 115 4XX 0.01259 0.49969 1.03196 -0.22786 0.15315 116 4YY -0.02627 0.62364 1.09230 -0.24190 0.34054 117 4ZZ -0.02561 0.48938 0.92404 -0.20571 0.19460 118 4XY -0.04664 -0.05774 -0.12894 0.02342 0.08383 119 4XZ 0.00519 0.01477 -0.03214 0.00592 -0.00035 120 4YZ 0.03346 0.00585 0.01011 -0.00512 -0.06148 121 9 H 1S 0.06267 -0.01070 -0.07928 0.04624 -0.03893 122 2S -0.14037 0.13570 0.23287 -0.20641 0.14872 123 10 H 1S 0.01563 -0.02550 0.06942 -0.01802 -0.05274 124 2S -0.02963 -0.07214 -0.15034 0.05917 0.01922 125 11 H 1S 0.01464 0.05965 0.00046 0.00932 0.06721 126 2S 0.05897 -0.00295 0.00085 -0.01145 -0.09514 127 12 H 1S -0.00075 -0.00911 -0.07804 0.00853 -0.04397 128 2S -0.00498 0.01084 0.12325 -0.03640 0.03887 129 13 H 1S 0.02762 0.01444 0.07080 -0.03584 -0.00876 130 2S 0.00087 0.02061 -0.14691 0.04415 0.05528 131 14 O 1S -0.13731 -0.17488 0.01866 0.06608 -0.15161 132 2S -0.18346 -0.20277 0.03821 0.10590 -0.24716 133 2PX 0.01226 -0.00969 -0.00846 -0.00423 0.00229 134 2PY 0.03353 -0.06230 0.00330 -0.01580 0.07003 135 2PZ -0.01721 0.02972 -0.00647 0.00581 -0.05163 136 3S 1.96693 2.71277 -0.31800 -1.03058 2.41258 137 3PX -0.10082 -0.04479 0.05103 0.02644 0.03757 138 3PY -0.47025 -0.65188 0.10781 0.23266 -0.48377 139 3PZ 0.27329 0.45181 -0.06104 -0.11896 0.27402 140 4XX -0.47243 -0.62885 0.07011 0.22259 -0.51768 141 4YY -0.36684 -0.37873 0.02661 0.17973 -0.43898 142 4ZZ -0.44200 -0.50971 0.05741 0.21298 -0.49930 143 4XY 0.03028 0.02451 -0.00562 -0.01259 -0.00581 144 4XZ -0.01378 0.00691 0.00851 0.00082 0.02338 145 4YZ -0.08202 -0.17708 0.03054 0.03106 -0.03298 146 15 C 1S -0.25929 -0.11678 0.02678 0.01698 0.16154 147 2S 1.61002 0.79515 -0.20895 -0.06643 -0.98914 148 2PX -0.07888 0.09125 -0.00196 0.01166 -0.03217 149 2PY -0.03842 0.06012 -0.02901 -0.14094 -0.01437 150 2PZ -0.02090 0.07712 0.02744 0.11539 -0.05043 151 3S 0.06282 0.11251 0.17651 -0.14880 -0.42267 152 3PX 0.20784 -0.58359 0.12748 -0.02930 0.34999 153 3PY 0.61768 -0.16864 -0.12954 0.15274 -0.01600 154 3PZ -0.22807 -0.45571 0.17493 -0.11548 0.39980 155 4XX -1.00693 -0.47070 0.12314 0.04466 0.65470 156 4YY -0.97550 -0.55989 0.16275 0.15566 0.68349 157 4ZZ -0.93084 -0.51423 0.09874 -0.02455 0.67894 158 4XY -0.00227 0.02051 0.03719 0.06407 0.00945 159 4XZ 0.02347 0.02301 -0.00020 -0.08323 0.03688 160 4YZ -0.05970 0.13368 -0.00338 -0.00012 -0.07827 161 16 C 1S -0.21912 0.08580 -0.05637 -0.24986 -0.01061 162 2S 1.30581 -0.53461 0.36943 1.44993 0.07478 163 2PX 0.07468 0.03293 0.02545 0.08897 -0.06232 164 2PY 0.10565 0.08455 -0.01519 0.01054 -0.10303 165 2PZ 0.02241 -0.02503 0.03402 0.12668 -0.00491 166 3S 1.38585 -0.32333 0.22953 1.60593 -0.20802 167 3PX -0.00361 0.09287 -0.19175 -0.12959 0.10055 168 3PY 0.32076 0.01212 -0.14401 0.06224 0.04758 169 3PZ -0.28947 0.08045 -0.05954 -0.29794 0.10896 170 4XX -0.87760 0.34411 -0.24669 -1.05604 -0.02693 171 4YY -0.74819 0.43320 -0.27534 -1.06935 -0.11911 172 4ZZ -0.83812 0.31814 -0.23192 -0.97727 -0.03251 173 4XY -0.00074 0.06485 -0.04281 -0.13261 -0.01719 174 4XZ -0.05321 -0.02721 -0.00994 -0.07125 0.03886 175 4YZ -0.08086 -0.01675 0.01192 -0.04619 0.03534 176 17 C 1S 0.04958 0.06944 0.04985 0.21710 -0.11332 177 2S -0.21397 -0.36807 -0.29947 -1.27743 0.59331 178 2PX 0.11646 -0.04256 0.02394 0.10829 0.01703 179 2PY 0.03784 0.02622 0.02340 0.11921 -0.06123 180 2PZ 0.11188 -0.07144 0.01212 0.03602 0.06631 181 3S -0.43846 -0.50498 -0.38371 -1.41039 1.05047 182 3PX -0.10993 0.03704 -0.07623 -0.19200 0.09224 183 3PY -0.23640 -0.18649 -0.04968 -0.27823 0.33417 184 3PZ 0.07093 0.19549 -0.07786 0.01962 -0.14893 185 4XX 0.22676 0.24569 0.21724 0.94025 -0.44225 186 4YY 0.17754 0.25846 0.19860 0.86058 -0.42099 187 4ZZ 0.12912 0.29335 0.21028 0.92958 -0.49953 188 4XY 0.06601 -0.03256 0.01636 0.06822 0.02197 189 4XZ 0.00470 0.00359 0.02762 0.13747 -0.05446 190 4YZ 0.09736 -0.03786 0.00671 0.04518 0.02912 191 18 C 1S 0.19965 -0.12160 0.00909 0.01089 0.13451 192 2S -1.20991 0.70437 -0.05926 -0.06480 -0.77937 193 2PX 0.05832 -0.04307 -0.00018 -0.00499 0.05748 194 2PY 0.05726 -0.01946 0.03503 0.13489 0.02717 195 2PZ 0.02742 -0.03563 -0.02921 -0.11128 0.04918 196 3S -0.58789 0.89114 -0.09247 -0.05183 -1.15914 197 3PX -0.00611 0.19871 -0.00758 0.00435 -0.26006 198 3PY -0.09126 0.06133 -0.00890 -0.12516 -0.14483 199 3PZ 0.04788 0.19052 0.01073 0.09543 -0.21454 200 4XX 0.77356 -0.46844 0.03247 0.03466 0.51708 201 4YY 0.81895 -0.50966 0.06505 0.13201 0.59446 202 4ZZ 0.79213 -0.50200 0.02098 -0.03195 0.58547 203 4XY 0.00421 -0.00328 0.01898 0.06769 0.00512 204 4XZ -0.00780 -0.01540 -0.01521 -0.06375 0.03054 205 4YZ -0.03581 0.04316 -0.00463 0.00421 -0.08780 206 19 C 1S -0.02577 0.04002 -0.06166 -0.22581 -0.07191 207 2S 0.23612 -0.17862 0.36164 1.33317 0.36024 208 2PX 0.11796 -0.05259 -0.02977 -0.10990 0.02930 209 2PY 0.13809 -0.08137 -0.00075 -0.01843 0.07619 210 2PZ 0.03001 -0.00083 -0.03445 -0.11915 -0.02934 211 3S -0.10508 -0.43918 0.35453 1.46322 0.79951 212 3PX -0.17935 -0.09921 0.05055 0.19548 0.11412 213 3PY -0.12459 0.04708 -0.01926 -0.03372 -0.09263 214 3PZ -0.08674 -0.15073 0.05959 0.25700 0.23796 215 4XX -0.05708 0.10661 -0.26309 -0.96921 -0.25862 216 4YY -0.18992 0.17906 -0.26982 -0.97834 -0.33579 217 4ZZ -0.09264 0.12895 -0.24419 -0.89710 -0.25262 218 4XY 0.00500 -0.01888 -0.03743 -0.13393 -0.02498 219 4XZ 0.05810 -0.04971 -0.01816 -0.07706 0.02964 220 4YZ 0.08974 -0.04784 -0.01202 -0.04418 0.03148 221 20 C 1S -0.24275 0.11305 0.06048 0.23994 -0.06788 222 2S 1.50457 -0.69333 -0.34458 -1.40236 0.35020 223 2PX 0.03776 0.02754 -0.02344 -0.09455 -0.06094 224 2PY 0.00680 -0.04251 -0.02475 -0.11968 0.02478 225 2PZ 0.06323 0.06709 -0.01540 -0.03565 -0.08553 226 3S 0.70455 -0.58012 -0.24217 -1.51431 0.47201 227 3PX -0.16650 -0.10927 0.01453 0.14416 0.26094 228 3PY -0.14050 0.08412 0.02910 0.25828 0.03520 229 3PZ -0.15559 -0.24511 0.03687 0.00229 0.25562 230 4XX -0.95282 0.49204 0.25725 1.02527 -0.25702 231 4YY -0.92869 0.42295 0.23221 0.94696 -0.24990 232 4ZZ -0.89193 0.51130 0.24522 1.01161 -0.32623 233 4XY -0.03664 -0.00956 0.02356 0.06635 0.03748 234 4XZ -0.00169 0.07374 0.02583 0.13278 -0.03557 235 4YZ -0.06099 0.00090 0.02187 0.04152 0.02960 236 21 H 1S 0.11109 -0.00751 -0.01659 -0.07994 -0.00623 237 2S -0.16842 0.04055 0.05220 0.17111 -0.07790 238 22 H 1S 0.01514 -0.01584 0.02030 0.07147 0.02061 239 2S -0.04835 -0.02128 -0.03323 -0.13275 0.01450 240 23 H 1S -0.06984 0.04844 -0.00021 -0.00385 -0.05119 241 2S 0.13373 -0.04279 0.01043 0.00602 0.04354 242 24 H 1S -0.02542 -0.03429 -0.01151 -0.06852 0.03871 243 2S -0.04452 -0.00755 0.04136 0.11549 0.00284 244 25 H 1S 0.06595 -0.02254 0.04637 0.06402 -0.00064 245 2S -0.04436 0.02446 -0.07510 -0.12812 -0.04673 246 26 O 1S 0.06190 0.04808 -0.05230 -0.01561 0.01054 247 2S 0.12700 0.08573 -0.07766 -0.01440 -0.00702 248 2PX -0.02053 -0.01459 -0.00354 0.00292 0.02230 249 2PY 0.02335 0.04121 -0.00076 0.00023 -0.00021 250 2PZ -0.03994 -0.06229 0.02504 0.00584 -0.00353 251 3S -1.01020 -0.79559 0.71565 0.18537 0.10195 252 3PX 0.08107 -0.00866 -0.03561 0.00173 -0.08740 253 3PY -0.13828 -0.09845 0.06288 -0.00373 -0.04007 254 3PZ 0.24828 0.18431 -0.18904 -0.01636 -0.01073 255 4XX 0.20884 0.16292 -0.18277 -0.05688 0.04890 256 4YY 0.21879 0.18703 -0.18341 -0.04564 0.02373 257 4ZZ 0.16937 0.19319 -0.13241 -0.05993 0.01464 258 4XY -0.02156 -0.04285 -0.00724 0.00200 0.01686 259 4XZ -0.00345 0.08627 0.01071 -0.01292 0.00481 260 4YZ 0.01827 -0.03059 -0.02677 0.00784 0.05797 261 27 H 1S 0.02121 0.01292 0.00912 0.00532 -0.02520 262 2S 0.02896 0.00645 -0.01586 -0.02436 -0.01512 263 28 H 1S 0.05624 0.03538 -0.00099 -0.01127 -0.02147 264 2S -0.08607 -0.31202 -0.02553 0.07699 0.00870 261 262 263 264 V V V V Eigenvalues -- 4.85768 5.04082 5.13425 5.17022 1 1 C 1S 0.22753 0.33794 0.13095 -0.16462 2 2S -1.13554 -1.27318 -0.78092 0.68239 3 2PX -0.00500 0.04195 -0.01796 -0.03523 4 2PY -0.04390 -0.07372 -0.03748 0.03251 5 2PZ -0.02259 -0.03031 -0.03360 0.02535 6 3S -1.77898 -4.05187 -0.59750 2.03499 7 3PX 0.35708 -0.42623 0.12546 0.34258 8 3PY -0.04757 0.99606 -0.18183 -0.58313 9 3PZ 0.27522 0.43026 0.06686 -0.15776 10 4XX 0.88138 1.18347 0.58950 -0.62237 11 4YY 0.84997 1.16391 0.53288 -0.58242 12 4ZZ 0.89541 1.25181 0.59035 -0.65562 13 4XY 0.03792 0.01367 0.07235 -0.02084 14 4XZ 0.12330 -0.01731 0.08967 0.07956 15 4YZ 0.02640 -0.07339 0.00131 0.06908 16 2 C 1S 0.18116 -0.22603 0.01796 0.26995 17 2S -0.74495 0.73885 0.10260 -1.16956 18 2PX 0.00954 0.04796 -0.01232 0.02413 19 2PY -0.00465 -0.12929 -0.01572 0.06312 20 2PZ -0.03914 0.02787 0.00413 -0.06117 21 3S -1.12882 0.80047 -0.33980 -0.96439 22 3PX -0.28419 -0.47055 -0.12097 0.21346 23 3PY 0.91842 -2.70915 0.47680 1.89094 24 3PZ -0.11742 1.68115 -0.09608 -1.00573 25 4XX 0.58735 -0.73400 -0.04633 1.05686 26 4YY 0.75848 -0.78304 0.03468 1.13899 27 4ZZ 0.59987 -0.81184 0.01400 0.96741 28 4XY -0.06249 -0.02699 0.00366 -0.08994 29 4XZ 0.04306 0.10127 0.04706 -0.11594 30 4YZ -0.04709 0.12802 -0.00844 -0.12601 31 3 C 1S -0.09879 -0.08353 0.02041 -0.24359 32 2S 0.51588 0.42120 -0.17433 1.22835 33 2PX 0.07080 -0.11176 0.02035 -0.00393 34 2PY -0.02753 0.07470 -0.00766 0.03371 35 2PZ -0.02422 0.03365 -0.01565 0.00324 36 3S 0.81993 0.82601 0.05129 3.83204 37 3PX -1.08191 1.87776 -0.52711 -0.25306 38 3PY 0.15495 0.07233 0.18694 -1.08753 39 3PZ 0.40579 -1.03879 0.20501 0.42916 40 4XX -0.42787 -0.34694 0.11687 -1.06856 41 4YY -0.39751 -0.36709 0.11763 -1.15887 42 4ZZ -0.37399 -0.32628 0.08538 -0.89757 43 4XY 0.05743 -0.14380 0.00144 0.01532 44 4XZ 0.01529 0.08392 -0.01953 0.09192 45 4YZ -0.02265 0.05156 -0.01601 0.09349 46 4 C 1S -0.02353 0.11677 -0.01869 0.16556 47 2S 0.02137 -0.53830 0.07558 -0.84302 48 2PX -0.06895 0.02834 0.00082 -0.04917 49 2PY 0.01385 -0.08740 0.01593 -0.13085 50 2PZ 0.02848 0.00320 -0.00090 0.05361 51 3S 0.96114 -2.76206 0.52513 -2.06045 52 3PX -0.16045 0.37311 -0.02951 -0.13571 53 3PY -0.43944 1.06139 -0.26309 0.88154 54 3PZ 0.16872 -0.34006 0.05804 -0.16289 55 4XX -0.07015 0.57115 -0.09306 0.85446 56 4YY -0.04778 0.42765 -0.06039 0.66541 57 4ZZ -0.06586 0.43468 -0.06867 0.61062 58 4XY 0.06489 -0.07235 0.00549 -0.02134 59 4XZ -0.02260 -0.07578 0.01479 -0.13644 60 4YZ -0.03901 0.01609 -0.00151 -0.01374 61 5 C 1S 0.08667 -0.13574 0.01404 -0.14298 62 2S -0.47873 0.67335 -0.06402 0.65214 63 2PX -0.02778 0.07311 -0.00532 0.11208 64 2PY -0.06034 0.05267 -0.00322 0.00691 65 2PZ 0.02341 -0.04023 0.00215 -0.04815 66 3S -1.01203 2.26319 -0.37677 2.43811 67 3PX 0.28266 -0.75977 0.13469 -0.91632 68 3PY 0.20050 -0.40765 0.03570 -0.23351 69 3PZ -0.15994 0.38459 -0.05768 0.44084 70 4XX 0.33023 -0.53268 0.05414 -0.56204 71 4YY 0.44393 -0.69143 0.06960 -0.70769 72 4ZZ 0.31670 -0.47490 0.04740 -0.49512 73 4XY -0.02695 0.08224 -0.00988 0.09809 74 4XZ -0.00417 0.01695 -0.00347 0.01645 75 4YZ -0.02126 0.02126 -0.00146 0.01448 76 6 C 1S -0.11311 0.15091 -0.01297 0.12818 77 2S 0.62343 -0.74178 0.04895 -0.57314 78 2PX 0.05607 -0.09584 0.00871 -0.06864 79 2PY -0.04991 0.06548 -0.00787 0.06981 80 2PZ -0.01411 0.02322 -0.00185 0.01684 81 3S 1.06835 -2.16833 0.25619 -2.44650 82 3PX -0.22258 0.60578 -0.09002 0.84591 83 3PY 0.27354 -0.68443 0.10788 -0.63021 84 3PZ 0.04013 -0.09157 0.01333 -0.23745 85 4XX -0.47227 0.63443 -0.04958 0.52509 86 4YY -0.50876 0.67733 -0.05319 0.58507 87 4ZZ -0.43562 0.56834 -0.04633 0.46564 88 4XY -0.05743 0.10179 -0.00833 0.08982 89 4XZ 0.04011 -0.07639 0.00428 -0.06270 90 4YZ 0.04754 -0.07819 0.00529 -0.07542 91 7 C 1S 0.06048 -0.14406 0.00768 -0.14346 92 2S -0.36249 0.72903 -0.03613 0.63968 93 2PX 0.04665 -0.00635 0.00653 -0.00656 94 2PY 0.02637 -0.10106 -0.00176 -0.11048 95 2PZ -0.02463 0.02666 -0.00195 0.02375 96 3S -0.76214 2.22664 -0.31183 2.52334 97 3PX -0.00921 -0.11534 0.03754 0.22533 98 3PY -0.18967 0.77508 -0.12851 1.11279 99 3PZ 0.03678 -0.14561 0.01165 -0.30491 100 4XX 0.32791 -0.73113 0.03978 -0.68889 101 4YY 0.23210 -0.55016 0.02403 -0.54329 102 4ZZ 0.23831 -0.54079 0.02760 -0.51319 103 4XY 0.00959 0.03964 0.00416 0.05653 104 4XZ -0.05503 0.10630 -0.00867 0.08786 105 4YZ -0.00870 -0.00793 -0.00149 -0.00867 106 8 C 1S 0.00415 0.13439 -0.00290 0.16421 107 2S -0.05891 -0.64040 0.00334 -0.79212 108 2PX -0.01070 0.07527 -0.01384 0.11431 109 2PY 0.03566 0.03065 -0.01686 0.05234 110 2PZ -0.00744 -0.04774 0.00825 -0.05209 111 3S -0.02964 -1.35760 0.15036 -3.27262 112 3PX 0.33424 -0.83458 0.27513 -0.82085 113 3PY -0.19468 0.30504 -0.04951 -0.73065 114 3PZ -0.08829 0.39026 -0.11331 0.44887 115 4XX 0.02696 0.50535 0.00163 0.66076 116 4YY 0.02578 0.67655 -0.03872 0.84339 117 4ZZ 0.02142 0.46941 -0.00592 0.57245 118 4XY 0.05088 -0.10275 -0.00042 -0.05503 119 4XZ -0.01589 0.00644 -0.00528 -0.04430 120 4YZ -0.02623 0.01496 0.00460 -0.05536 121 9 H 1S 0.02092 -0.05245 0.01057 -0.07790 122 2S 0.09018 -0.05695 0.12888 -0.02286 123 10 H 1S -0.01309 0.03870 -0.00108 0.07304 124 2S 0.03016 0.02099 -0.01805 0.13588 125 11 H 1S 0.03704 -0.06021 0.00805 -0.05649 126 2S -0.01814 -0.07139 0.02290 -0.11837 127 12 H 1S -0.03235 0.05658 -0.00519 0.05791 128 2S 0.00444 0.06769 -0.01302 0.10894 129 13 H 1S 0.00094 -0.03267 0.01315 -0.08586 130 2S 0.10912 -0.13634 0.05141 -0.04346 131 14 O 1S 0.02760 -0.26286 0.01778 0.14712 132 2S 0.01008 -0.55904 0.01674 0.34322 133 2PX 0.01582 -0.00134 0.00483 0.00981 134 2PY 0.08587 0.01597 0.01290 0.06182 135 2PZ -0.04397 -0.02255 -0.00357 -0.03098 136 3S -0.56129 4.70157 -0.35007 -2.83041 137 3PX -0.00783 0.06312 -0.00456 -0.04345 138 3PY 0.11276 -1.15547 0.02946 0.75523 139 3PZ -0.14741 0.66046 -0.04676 -0.47103 140 4XX 0.11153 -0.91030 0.06310 0.51449 141 4YY 0.00924 -0.57813 0.05204 0.24303 142 4ZZ 0.03795 -0.83044 0.04389 0.43081 143 4XY 0.00083 -0.02002 -0.00122 0.01888 144 4XZ -0.00644 -0.00813 -0.01657 0.02433 145 4YZ 0.08004 -0.22203 -0.00003 0.21733 146 15 C 1S -0.22930 0.05442 -0.27688 -0.06996 147 2S 1.29184 -0.16880 1.36993 0.20926 148 2PX -0.05862 -0.01922 0.06481 -0.00666 149 2PY -0.02874 -0.02110 0.04894 0.00262 150 2PZ -0.02011 -0.04373 0.05858 0.02346 151 3S 1.12081 -0.01473 3.91353 0.62286 152 3PX 0.71582 0.78420 -0.85567 -0.33479 153 3PY 0.53775 -0.00067 -0.51152 0.06485 154 3PZ 0.31011 0.93236 -0.70951 -0.54091 155 4XX -0.92382 0.14102 -1.06257 -0.20148 156 4YY -0.95357 0.20540 -1.23610 -0.27122 157 4ZZ -0.92300 0.16684 -1.17398 -0.23088 158 4XY -0.07167 -0.04825 -0.06560 0.02504 159 4XZ -0.08315 -0.02050 -0.09561 0.00103 160 4YZ -0.02295 -0.09798 0.16619 0.05853 161 16 C 1S -0.00942 -0.03632 0.20335 0.04077 162 2S -0.03047 0.12115 -0.97999 -0.15058 163 2PX 0.08026 -0.02343 -0.04177 0.02396 164 2PY 0.12699 -0.04091 0.09780 0.03843 165 2PZ -0.00684 0.00706 -0.13714 -0.01862 166 3S 0.70332 0.23240 -3.25438 -0.37517 167 3PX -0.35189 -0.05597 0.47479 -0.04165 168 3PY 0.05823 0.04709 -0.59095 -0.10409 169 3PZ -0.41430 -0.13145 1.09777 0.11890 170 4XX -0.06646 -0.14892 0.82998 0.16089 171 4YY 0.06790 -0.17425 0.97878 0.19215 172 4ZZ -0.00151 -0.10099 0.75686 0.13140 173 4XY -0.01546 -0.04898 0.19128 0.03996 174 4XZ -0.03197 0.01888 0.05179 -0.00478 175 4YZ -0.10144 -0.03752 -0.01711 0.01813 176 17 C 1S 0.14108 0.01380 -0.18163 -0.01930 177 2S -0.76851 -0.13053 0.85160 0.11908 178 2PX -0.02801 0.00852 -0.05461 -0.01528 179 2PY 0.07888 0.00569 -0.12727 -0.01360 180 2PZ -0.09731 0.00002 0.03484 -0.00345 181 3S -1.59825 -0.17966 3.11290 0.27737 182 3PX -0.14337 0.00305 0.41576 0.01490 183 3PY -0.47050 0.01166 1.19852 0.08084 184 3PZ 0.17741 0.01575 -0.44837 -0.08226 185 4XX 0.58148 0.08601 -0.76740 -0.09461 186 4YY 0.53057 0.06829 -0.67132 -0.08088 187 4ZZ 0.66460 0.09528 -0.81575 -0.10210 188 4XY -0.02208 0.01375 -0.03884 -0.01323 189 4XZ 0.11787 0.04722 -0.18623 -0.03699 190 4YZ -0.04639 -0.00178 -0.00145 -0.00511 191 18 C 1S -0.21126 -0.02725 0.17461 0.02115 192 2S 1.19419 0.11787 -0.79807 -0.08004 193 2PX -0.09839 -0.01943 0.09750 0.01412 194 2PY -0.07385 -0.00666 0.06345 0.00205 195 2PZ -0.06608 -0.01934 0.06981 0.01458 196 3S 1.91438 0.32761 -3.12570 -0.41592 197 3PX 0.41788 0.08198 -0.97745 -0.13084 198 3PY 0.31058 0.08751 -0.65594 -0.08894 199 3PZ 0.27670 0.02205 -0.68501 -0.07999 200 4XX -0.80282 -0.09603 0.61965 0.07128 201 4YY -0.95713 -0.11313 0.78620 0.08620 202 4ZZ -0.91344 -0.11349 0.74370 0.08693 203 4XY -0.01148 0.00627 0.00750 -0.00277 204 4XZ -0.03735 -0.00034 0.03447 0.00084 205 4YZ 0.15406 0.01927 -0.16722 -0.01666 206 19 C 1S 0.14983 0.00876 -0.18415 -0.01348 207 2S -0.85221 -0.07924 0.84993 0.05966 208 2PX 0.00622 -0.01482 -0.06374 0.01259 209 2PY -0.09520 -0.02024 0.04933 0.01739 210 2PZ 0.07723 -0.00762 -0.11704 0.00122 211 3S -1.48823 -0.17242 3.20684 0.35524 212 3PX -0.11031 0.03213 0.57306 0.05376 213 3PY 0.27905 0.15861 -0.56085 -0.13105 214 3PZ -0.34170 -0.06679 1.14361 0.17031 215 4XX 0.61882 0.04171 -0.75537 -0.04750 216 4YY 0.73583 0.06501 -0.84245 -0.06502 217 4ZZ 0.57346 0.03540 -0.67034 -0.04111 218 4XY 0.12480 0.02385 -0.17123 -0.01191 219 4XZ 0.01164 0.00242 -0.05166 0.00439 220 4YZ -0.01980 -0.01041 -0.01450 0.00878 221 20 C 1S -0.03165 -0.01626 0.20237 0.01217 222 2S 0.10584 -0.07369 -0.97083 0.03647 223 2PX 0.06963 -0.01645 -0.04088 -0.00105 224 2PY -0.00940 -0.00200 -0.14930 -0.01029 225 2PZ 0.11013 -0.02327 0.06876 0.02295 226 3S 0.49122 0.93997 -3.45668 -0.81006 227 3PX -0.18323 0.19934 0.39428 -0.05740 228 3PY -0.31329 -0.26763 1.26510 0.27730 229 3PZ 0.02169 0.42715 -0.48822 -0.27956 230 4XX -0.16978 -0.02883 0.84198 0.01750 231 4YY -0.07215 -0.00043 0.76364 0.01354 232 4ZZ -0.05153 -0.06617 0.93667 0.06222 233 4XY -0.05665 0.03467 0.02726 -0.02358 234 4XZ -0.02007 -0.00383 0.20577 0.00516 235 4YZ -0.12237 -0.01893 -0.03864 -0.01037 236 21 H 1S 0.00063 -0.02283 -0.08687 0.00094 237 2S 0.07269 0.05845 -0.11753 -0.06320 238 22 H 1S -0.04499 -0.01212 0.07994 0.01401 239 2S 0.05196 0.00392 0.14386 0.03324 240 23 H 1S 0.06972 0.00339 -0.07428 -0.00587 241 2S -0.05665 0.01215 -0.14341 -0.02563 242 24 H 1S -0.04224 -0.00143 0.07824 0.00853 243 2S 0.02112 0.04448 0.13363 -0.00577 244 25 H 1S 0.01442 -0.00308 -0.07672 0.01239 245 2S 0.12436 -0.00381 -0.11722 0.00463 246 26 O 1S -0.02952 -0.04970 -0.01853 0.02221 247 2S -0.00530 -0.04206 0.01348 0.01048 248 2PX 0.01747 0.04798 0.00854 -0.02388 249 2PY -0.02801 -0.01172 -0.02186 0.00240 250 2PZ 0.04215 0.02729 0.02808 -0.00650 251 3S 0.37459 1.09123 0.17612 -0.54837 252 3PX 0.00044 -0.20765 0.01406 0.11518 253 3PY 0.01463 -0.03416 0.01306 0.02956 254 3PZ -0.01919 -0.12360 0.02066 0.05104 255 4XX -0.08878 -0.15209 -0.05515 0.07618 256 4YY -0.12701 -0.18510 -0.08081 0.06863 257 4ZZ -0.16792 -0.24943 -0.11907 0.12250 258 4XY 0.01956 0.02588 0.00892 -0.01106 259 4XZ -0.09055 -0.02253 -0.05517 -0.00412 260 4YZ 0.06447 0.16190 0.04915 -0.09334 261 27 H 1S -0.01552 -0.03035 -0.00531 0.00557 262 2S -0.00894 -0.07457 -0.00557 0.04429 263 28 H 1S 0.03232 -0.02477 0.03448 0.02816 264 2S 0.26619 0.15128 0.16980 -0.05323 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05821 2 2S -0.08656 0.28229 3 2PX 0.00572 -0.00687 0.38643 4 2PY -0.01527 0.01523 0.01402 0.38405 5 2PZ 0.01226 -0.02580 -0.02857 0.04531 0.31367 6 3S -0.17963 0.25766 -0.00591 0.14064 -0.07268 7 3PX 0.00636 -0.01454 0.16288 -0.00010 -0.06001 8 3PY -0.00414 0.01204 -0.01306 0.18516 0.04972 9 3PZ 0.01283 -0.01626 -0.02755 0.02257 0.11795 10 4XX -0.00390 0.00290 0.00415 -0.00304 -0.01414 11 4YY -0.00566 0.00571 -0.01439 0.02082 0.01051 12 4ZZ -0.00332 0.00276 0.01065 -0.01533 0.00633 13 4XY 0.00077 -0.00130 -0.00109 -0.01572 -0.01709 14 4XZ 0.00056 -0.00067 -0.01767 -0.01748 0.01312 15 4YZ -0.00124 0.00201 -0.01666 0.01011 -0.01403 16 2 C 1S 0.01173 -0.02277 -0.05659 -0.00720 0.03901 17 2S -0.02394 0.04619 0.11958 0.01654 -0.08113 18 2PX 0.04689 -0.09517 -0.18620 -0.02394 0.14908 19 2PY 0.01061 -0.01957 -0.04154 0.00641 0.03528 20 2PZ -0.03738 0.07485 0.17221 0.03294 -0.09288 21 3S -0.00633 0.03173 0.14501 -0.01768 -0.07073 22 3PX -0.00095 -0.01344 -0.07751 0.01966 0.03012 23 3PY -0.00051 -0.00789 -0.02073 -0.01109 0.01367 24 3PZ 0.00216 0.01093 0.05784 -0.01129 -0.02564 25 4XX -0.00466 0.00804 0.00331 0.00228 -0.00823 26 4YY 0.00328 -0.00684 -0.01113 -0.00673 0.00748 27 4ZZ -0.00292 0.00451 0.01012 0.00519 0.00119 28 4XY -0.00384 0.00812 0.01111 -0.00559 -0.01139 29 4XZ 0.00653 -0.01236 -0.01549 -0.00566 0.00828 30 4YZ 0.00079 -0.00160 -0.00475 0.00524 0.00204 31 3 C 1S -0.00402 0.00860 0.01611 -0.00045 -0.01150 32 2S 0.00706 -0.01526 -0.03101 0.00145 0.02193 33 2PX -0.01331 0.02902 0.05165 -0.00030 -0.04094 34 2PY 0.00781 -0.01743 -0.03665 -0.00406 0.02426 35 2PZ 0.00348 -0.01038 -0.01937 -0.00457 0.00993 36 3S 0.01652 -0.04063 -0.07837 -0.02402 0.05760 37 3PX -0.01258 0.02623 0.04867 -0.01203 -0.03831 38 3PY 0.01167 -0.01838 -0.03448 -0.00525 0.02897 39 3PZ 0.00274 -0.01029 -0.02337 0.00208 0.00848 40 4XX -0.00063 0.00098 0.00250 -0.00155 -0.00210 41 4YY 0.00072 -0.00136 -0.00345 -0.00034 0.00259 42 4ZZ -0.00064 0.00109 0.00183 0.00002 -0.00074 43 4XY -0.00089 0.00162 0.00206 0.00016 -0.00183 44 4XZ 0.00057 -0.00101 -0.00333 0.00025 0.00148 45 4YZ -0.00008 0.00012 0.00113 0.00032 -0.00032 46 4 C 1S 0.00103 -0.00274 -0.00537 0.00047 0.00397 47 2S -0.00279 0.00570 0.01177 -0.00235 -0.00925 48 2PX 0.00548 -0.01180 -0.02509 -0.00079 0.01782 49 2PY 0.00184 -0.00469 -0.00877 -0.00052 0.00493 50 2PZ -0.00196 0.00440 0.00426 -0.00158 -0.00772 51 3S 0.00108 -0.00265 0.00061 0.01300 -0.00167 52 3PX 0.00662 -0.01684 -0.03758 -0.00764 0.02365 53 3PY -0.00169 0.00371 0.00401 -0.01067 -0.00255 54 3PZ -0.00142 0.00427 0.00532 0.00237 -0.00656 55 4XX 0.00028 -0.00046 -0.00128 0.00060 0.00085 56 4YY -0.00006 0.00002 0.00058 -0.00005 -0.00042 57 4ZZ -0.00006 -0.00014 -0.00035 -0.00032 -0.00014 58 4XY -0.00030 0.00086 0.00224 0.00009 -0.00145 59 4XZ -0.00015 0.00018 0.00055 0.00003 -0.00011 60 4YZ 0.00014 -0.00050 -0.00115 -0.00013 0.00078 61 5 C 1S -0.00054 0.00116 0.00253 -0.00001 -0.00196 62 2S 0.00124 -0.00315 -0.00680 0.00057 0.00471 63 2PX -0.00177 0.00424 0.00900 0.00095 -0.00651 64 2PY 0.00108 -0.00158 -0.00530 0.00018 0.00420 65 2PZ 0.00073 -0.00024 -0.00063 0.00169 0.00190 66 3S -0.00121 0.00621 0.00953 -0.00287 -0.00264 67 3PX -0.00019 -0.00034 -0.00008 0.00572 -0.00125 68 3PY -0.00135 0.00383 0.00588 0.00252 -0.00394 69 3PZ 0.00026 0.00114 0.00283 0.00010 0.00079 70 4XX -0.00028 0.00062 0.00136 -0.00010 -0.00088 71 4YY 0.00019 -0.00039 -0.00087 0.00001 0.00058 72 4ZZ -0.00006 0.00006 0.00006 0.00011 -0.00011 73 4XY -0.00004 -0.00003 -0.00010 0.00012 -0.00011 74 4XZ 0.00011 -0.00030 -0.00050 0.00008 0.00046 75 4YZ 0.00000 -0.00002 -0.00034 -0.00013 -0.00004 76 6 C 1S -0.00022 0.00063 0.00077 -0.00006 -0.00066 77 2S 0.00044 -0.00114 -0.00136 0.00021 0.00124 78 2PX -0.00031 0.00131 0.00266 0.00009 -0.00077 79 2PY 0.00046 -0.00124 -0.00098 0.00036 0.00138 80 2PZ -0.00024 0.00126 0.00580 0.00181 -0.00041 81 3S 0.00077 -0.00223 -0.00533 0.00413 0.00303 82 3PX -0.00065 0.00277 0.00651 -0.00025 -0.00277 83 3PY -0.00099 -0.00005 0.00095 -0.00104 -0.00251 84 3PZ 0.00047 0.00004 0.00297 0.00239 0.00095 85 4XX -0.00003 0.00014 0.00011 -0.00009 -0.00011 86 4YY 0.00004 -0.00009 -0.00017 0.00012 0.00013 87 4ZZ -0.00002 -0.00001 0.00000 -0.00001 -0.00005 88 4XY -0.00001 0.00004 0.00020 0.00010 -0.00006 89 4XZ 0.00001 -0.00002 -0.00006 0.00005 0.00006 90 4YZ 0.00000 0.00008 0.00004 0.00003 0.00000 91 7 C 1S -0.00017 -0.00010 0.00067 0.00067 -0.00037 92 2S -0.00023 0.00017 -0.00129 -0.00237 -0.00016 93 2PX -0.00033 -0.00028 0.00224 0.00195 -0.00073 94 2PY 0.00009 -0.00008 -0.00128 -0.00195 0.00057 95 2PZ -0.00023 -0.00057 -0.00061 -0.00135 0.00041 96 3S 0.00375 -0.00042 -0.00369 0.00726 0.00707 97 3PX -0.00322 0.00201 0.00767 -0.00640 -0.00711 98 3PY 0.00197 -0.00122 -0.00088 0.00167 0.00443 99 3PZ 0.00013 -0.00033 -0.00094 -0.00050 0.00358 100 4XX 0.00010 -0.00008 0.00019 0.00041 0.00008 101 4YY -0.00005 0.00015 0.00015 0.00005 -0.00024 102 4ZZ -0.00012 -0.00010 -0.00033 -0.00020 -0.00009 103 4XY -0.00013 -0.00001 0.00011 -0.00026 -0.00008 104 4XZ -0.00008 0.00019 0.00043 0.00004 -0.00020 105 4YZ -0.00001 -0.00008 -0.00025 -0.00012 0.00013 106 8 C 1S -0.00043 0.00189 0.00167 -0.00149 -0.00167 107 2S 0.00059 -0.00258 -0.00188 0.00246 0.00411 108 2PX -0.00090 0.00360 -0.00214 -0.00445 -0.00304 109 2PY 0.00051 -0.00174 -0.00603 0.00195 0.00281 110 2PZ 0.00003 -0.00420 -0.00673 -0.00214 0.00138 111 3S -0.00007 -0.00099 0.00069 -0.00845 -0.00385 112 3PX -0.00073 -0.00139 -0.00641 -0.00242 -0.00107 113 3PY 0.00439 -0.00149 -0.00843 0.01451 0.00769 114 3PZ 0.00029 -0.00279 -0.00607 0.00012 -0.00310 115 4XX -0.00050 0.00053 0.00115 -0.00092 -0.00055 116 4YY 0.00016 -0.00028 -0.00087 -0.00007 0.00094 117 4ZZ -0.00017 0.00034 0.00072 0.00024 -0.00020 118 4XY -0.00001 0.00029 0.00127 0.00113 -0.00065 119 4XZ 0.00009 -0.00012 -0.00081 -0.00027 0.00039 120 4YZ -0.00003 -0.00011 -0.00068 -0.00063 0.00008 121 9 H 1S -0.00046 -0.00184 0.00421 0.00239 -0.00049 122 2S 0.00088 -0.00243 -0.00039 0.01828 0.00289 123 10 H 1S -0.00021 0.00033 0.00049 0.00027 -0.00061 124 2S -0.00002 0.00055 0.00245 0.00067 -0.00078 125 11 H 1S -0.00010 0.00031 -0.00028 -0.00044 -0.00004 126 2S -0.00005 -0.00013 -0.00140 -0.00083 0.00010 127 12 H 1S -0.00106 0.00214 0.00443 0.00005 -0.00342 128 2S -0.00142 0.00332 0.00839 -0.00205 -0.00537 129 13 H 1S -0.00024 -0.00005 0.00194 -0.00009 -0.00155 130 2S -0.00179 0.00407 0.01312 0.00670 -0.00904 131 14 O 1S -0.00316 0.00447 0.00552 0.00678 -0.00455 132 2S 0.00515 -0.00959 -0.01466 -0.01904 0.01097 133 2PX -0.02282 0.04589 0.05594 0.02142 -0.04579 134 2PY -0.00365 0.00890 0.01151 -0.00725 -0.01384 135 2PZ 0.01796 -0.03274 -0.05641 -0.04234 0.02528 136 3S 0.01292 -0.01091 -0.01067 -0.01617 0.01020 137 3PX -0.02153 0.04484 0.06479 0.01803 -0.04990 138 3PY -0.00330 0.00418 0.00151 -0.00942 -0.00803 139 3PZ 0.01558 -0.02774 -0.05435 -0.03583 0.02305 140 4XX -0.00087 0.00058 -0.00026 -0.00055 -0.00043 141 4YY 0.00002 -0.00091 -0.00265 -0.00011 0.00099 142 4ZZ -0.00080 0.00033 0.00039 -0.00126 -0.00075 143 4XY 0.00009 -0.00040 0.00137 -0.00009 -0.00136 144 4XZ -0.00018 0.00021 -0.00043 -0.00068 0.00051 145 4YZ -0.00081 0.00110 0.00074 0.00058 0.00007 146 15 C 1S 0.01190 -0.02082 0.04679 0.03819 0.02947 147 2S -0.02213 0.04096 -0.09148 -0.07505 -0.05543 148 2PX -0.04420 0.09067 -0.14192 -0.12898 -0.10230 149 2PY -0.02885 0.06076 -0.11374 -0.07791 -0.06550 150 2PZ -0.03188 0.06628 -0.11523 -0.08624 -0.05522 151 3S 0.00103 0.01732 -0.07629 -0.10475 -0.05603 152 3PX -0.00382 0.02345 -0.10525 -0.07634 -0.04364 153 3PY -0.00741 0.02117 -0.05605 -0.06882 -0.06464 154 3PZ 0.00301 0.00917 -0.06222 -0.05628 -0.02554 155 4XX -0.00330 0.00650 0.00072 -0.00870 -0.00735 156 4YY -0.00033 -0.00034 -0.00108 0.00684 0.00221 157 4ZZ -0.00017 -0.00060 -0.00182 -0.00072 0.00534 158 4XY -0.00404 0.00779 -0.00654 -0.00412 -0.00687 159 4XZ -0.00337 0.00638 -0.00799 -0.00792 -0.00175 160 4YZ -0.00365 0.00696 -0.01144 -0.00249 -0.00222 161 16 C 1S -0.00296 0.00685 -0.00976 -0.00963 -0.00492 162 2S 0.00552 -0.01345 0.02139 0.02248 0.01043 163 2PX 0.00617 -0.01672 0.01101 0.02469 0.01860 164 2PY 0.00885 -0.02038 0.04175 0.02686 0.01549 165 2PZ 0.00117 -0.00077 0.00473 -0.00749 -0.00794 166 3S -0.00052 -0.00402 0.00727 -0.00054 -0.01559 167 3PX 0.00665 -0.01582 0.01525 0.03849 0.01968 168 3PY 0.00519 -0.01078 0.02081 0.02326 -0.00773 169 3PZ 0.00435 -0.00664 0.02949 0.00946 0.01104 170 4XX -0.00110 0.00202 -0.00215 -0.00243 -0.00170 171 4YY 0.00008 -0.00034 -0.00030 -0.00004 0.00005 172 4ZZ 0.00053 -0.00111 0.00228 0.00235 0.00140 173 4XY -0.00103 0.00185 -0.00356 -0.00355 -0.00197 174 4XZ -0.00015 0.00054 -0.00047 -0.00081 -0.00006 175 4YZ -0.00173 0.00329 -0.00476 -0.00439 -0.00235 176 17 C 1S 0.00142 -0.00326 0.00576 0.00516 0.00313 177 2S -0.00444 0.00843 -0.01370 -0.01313 -0.00804 178 2PX -0.00509 0.01110 -0.01714 -0.01659 -0.01050 179 2PY -0.00398 0.00868 -0.01402 -0.01006 -0.00837 180 2PZ -0.00317 0.00784 -0.01150 -0.00931 -0.00549 181 3S 0.00557 -0.00537 0.00139 0.00944 0.00701 182 3PX -0.00023 0.00261 -0.00566 -0.00294 -0.00548 183 3PY 0.00263 -0.00079 0.00052 0.00299 0.00512 184 3PZ -0.00235 0.00438 -0.01172 0.00002 -0.00820 185 4XX -0.00006 -0.00009 -0.00103 0.00074 0.00068 186 4YY 0.00033 -0.00077 0.00192 0.00128 0.00088 187 4ZZ -0.00012 0.00025 0.00014 -0.00111 -0.00094 188 4XY 0.00032 -0.00044 0.00118 0.00096 0.00048 189 4XZ 0.00005 0.00014 -0.00086 -0.00031 -0.00033 190 4YZ -0.00012 0.00036 0.00009 -0.00043 -0.00069 191 18 C 1S 0.00011 -0.00019 0.00105 0.00119 0.00073 192 2S -0.00004 -0.00030 -0.00119 -0.00160 -0.00093 193 2PX -0.00016 0.00085 0.00493 -0.00665 -0.00639 194 2PY -0.00012 -0.00068 -0.00497 0.00137 0.00275 195 2PZ -0.00023 -0.00099 -0.00713 0.00339 0.00302 196 3S -0.00342 0.00402 -0.02148 -0.01247 -0.01155 197 3PX -0.00232 0.00374 0.00292 -0.01094 -0.01090 198 3PY -0.00045 -0.00035 -0.00979 -0.00296 0.00427 199 3PZ -0.00280 0.00288 -0.00943 0.00319 -0.00078 200 4XX -0.00022 0.00044 -0.00059 -0.00024 -0.00023 201 4YY 0.00002 -0.00012 0.00022 0.00000 -0.00003 202 4ZZ -0.00002 0.00002 -0.00006 0.00005 -0.00004 203 4XY -0.00015 0.00041 -0.00057 -0.00016 -0.00016 204 4XZ -0.00015 0.00031 -0.00037 -0.00046 -0.00038 205 4YZ -0.00025 0.00051 -0.00046 -0.00040 -0.00039 206 19 C 1S 0.00174 -0.00391 0.00586 0.00353 0.00367 207 2S -0.00511 0.00983 -0.01347 -0.00796 -0.00912 208 2PX -0.00615 0.01387 -0.02044 -0.00890 -0.00906 209 2PY -0.00372 0.00747 -0.00928 -0.00719 -0.00845 210 2PZ -0.00477 0.00900 -0.01141 -0.01095 -0.00955 211 3S 0.00653 -0.00737 -0.00665 0.00297 0.00436 212 3PX 0.00150 0.00114 -0.01273 -0.00473 0.00026 213 3PY 0.00126 -0.00172 -0.01567 -0.00765 -0.00126 214 3PZ 0.00124 -0.00039 0.00120 -0.00392 -0.00195 215 4XX -0.00005 -0.00008 -0.00093 0.00094 0.00100 216 4YY -0.00013 0.00020 0.00020 -0.00088 -0.00088 217 4ZZ 0.00029 -0.00075 0.00172 0.00081 0.00047 218 4XY -0.00007 0.00026 -0.00103 -0.00054 -0.00020 219 4XZ 0.00037 -0.00054 0.00108 0.00055 0.00055 220 4YZ -0.00018 0.00039 0.00006 -0.00098 -0.00078 221 20 C 1S -0.00398 0.00955 -0.00983 -0.00390 -0.00741 222 2S 0.00683 -0.01710 0.02238 0.00778 0.01517 223 2PX 0.00913 -0.02088 0.01222 0.01988 0.02368 224 2PY 0.00026 -0.00130 0.00497 -0.01321 -0.00847 225 2PZ 0.01140 -0.02460 0.03874 0.01355 0.01368 226 3S 0.01141 -0.02178 0.01117 0.00364 0.02670 227 3PX 0.01451 -0.02756 0.00533 0.02394 0.03529 228 3PY 0.00268 -0.00720 0.03097 0.00435 0.00173 229 3PZ 0.01494 -0.02490 0.01060 0.00500 0.02027 230 4XX -0.00110 0.00210 -0.00209 -0.00235 -0.00255 231 4YY 0.00087 -0.00172 0.00352 0.00256 0.00233 232 4ZZ 0.00007 0.00001 -0.00118 -0.00023 -0.00039 233 4XY -0.00038 0.00092 -0.00063 -0.00072 -0.00066 234 4XZ -0.00054 0.00117 -0.00348 -0.00177 -0.00214 235 4YZ -0.00183 0.00354 -0.00478 -0.00257 -0.00263 236 21 H 1S 0.00413 -0.01041 0.01468 0.00478 0.00928 237 2S 0.00500 -0.01008 0.00078 0.00456 0.01189 238 22 H 1S 0.00209 -0.00443 0.00716 0.00573 0.00408 239 2S 0.00421 -0.00777 0.01557 0.00921 0.00834 240 23 H 1S -0.00107 0.00241 -0.00219 -0.00155 -0.00133 241 2S -0.00255 0.00523 -0.00608 -0.00499 -0.00407 242 24 H 1S 0.00188 -0.00417 0.00798 0.00610 0.00504 243 2S 0.00427 -0.00766 0.01619 0.01303 0.01033 244 25 H 1S 0.00398 -0.00868 0.01230 0.01296 0.00558 245 2S 0.00350 -0.00817 0.00724 0.01998 -0.00211 246 26 O 1S 0.00385 -0.00658 -0.00829 0.01834 -0.02883 247 2S -0.00956 0.01449 0.02384 -0.03991 0.05965 248 2PX 0.02278 -0.04809 -0.04100 0.06181 -0.09679 249 2PY -0.02665 0.06219 0.04934 -0.07945 0.12714 250 2PZ 0.05250 -0.10401 -0.07883 0.12656 -0.21393 251 3S 0.02390 -0.03835 -0.02097 -0.03741 0.07215 252 3PX 0.01324 -0.02922 -0.05289 0.04534 -0.06976 253 3PY -0.01225 0.03281 0.02942 -0.08878 0.07886 254 3PZ 0.02535 -0.05285 -0.04764 0.07612 -0.15977 255 4XX -0.00120 0.00165 0.00015 -0.00216 0.00179 256 4YY -0.00170 0.00224 0.00269 0.00449 0.00269 257 4ZZ -0.00404 0.00589 0.00646 -0.00471 -0.00184 258 4XY 0.00282 -0.00536 -0.00007 0.00352 -0.01026 259 4XZ -0.00492 0.00892 -0.00142 -0.00921 0.01457 260 4YZ 0.00459 -0.00739 -0.00551 0.00212 -0.00908 261 27 H 1S 0.00862 -0.01647 0.00235 0.01404 -0.03629 262 2S 0.00417 -0.00642 0.02148 0.01083 -0.04392 263 28 H 1S -0.05513 0.10002 -0.09115 0.23447 0.07479 264 2S -0.00755 0.01567 -0.07445 0.15802 0.06716 6 7 8 9 10 6 3S 0.34976 7 3PX 0.00276 0.09018 8 3PY 0.06042 -0.01150 0.09836 9 3PZ -0.03297 -0.02899 0.01948 0.05347 10 4XX 0.00335 0.00398 -0.00303 -0.00571 0.00143 11 4YY 0.01311 -0.00771 0.01218 0.00351 -0.00098 12 4ZZ -0.00775 0.00275 -0.00703 0.00296 -0.00043 13 4XY -0.00409 0.00205 -0.00973 -0.00538 0.00088 14 4XZ -0.00979 -0.00695 -0.00558 0.00531 -0.00042 15 4YZ 0.00940 -0.00328 0.00372 -0.00277 0.00050 16 2 C 1S -0.00508 -0.00699 -0.00238 0.01324 -0.00458 17 2S 0.01341 0.02589 0.00047 -0.02420 0.00849 18 2PX -0.11438 -0.09599 0.00119 0.06965 -0.00379 19 2PY -0.02394 -0.01411 0.01372 0.01638 -0.00318 20 2PZ 0.09478 0.08718 -0.01390 -0.05098 0.00910 21 3S 0.00310 0.04044 -0.02450 -0.02078 0.00699 22 3PX 0.00419 -0.02717 0.01321 0.01290 0.00030 23 3PY -0.00668 0.00123 -0.00660 0.00434 -0.00104 24 3PZ -0.00321 0.02095 -0.01689 -0.01434 0.00435 25 4XX 0.01099 0.00222 -0.00035 -0.00382 0.00046 26 4YY -0.01526 -0.00625 -0.00234 0.00343 -0.00010 27 4ZZ 0.00981 0.00491 0.00288 -0.00008 -0.00027 28 4XY 0.01447 0.00936 -0.00454 -0.00469 0.00050 29 4XZ -0.01728 -0.00810 -0.00112 0.00385 -0.00062 30 4YZ -0.00058 -0.00133 0.00174 0.00032 -0.00004 31 3 C 1S 0.01275 0.01241 -0.00163 -0.00494 -0.00004 32 2S -0.02552 -0.02441 0.00438 0.00920 0.00009 33 2PX 0.07070 0.04546 -0.00147 -0.02754 -0.00072 34 2PY -0.03795 -0.02999 0.00126 0.01060 0.00150 35 2PZ -0.00843 -0.02698 -0.00961 0.00906 0.00177 36 3S -0.08585 -0.05153 -0.00326 0.02560 -0.00196 37 3PX 0.04566 0.02641 -0.00946 -0.01771 0.00101 38 3PY -0.04277 -0.03044 0.00241 0.01308 -0.00074 39 3PZ -0.00025 -0.01825 -0.00292 0.00575 0.00059 40 4XX -0.00050 0.00040 -0.00070 -0.00090 0.00017 41 4YY -0.00234 -0.00243 0.00001 0.00149 -0.00002 42 4ZZ 0.00211 0.00168 -0.00019 -0.00062 0.00001 43 4XY 0.00408 0.00296 -0.00008 -0.00168 -0.00021 44 4XZ -0.00124 -0.00200 0.00047 0.00109 -0.00018 45 4YZ -0.00160 0.00012 0.00005 -0.00011 0.00019 46 4 C 1S -0.00134 -0.00338 -0.00120 0.00329 0.00018 47 2S 0.00574 0.00809 0.00097 -0.00792 -0.00032 48 2PX -0.03136 -0.02781 -0.00169 0.01647 0.00052 49 2PY -0.00885 -0.00886 -0.00061 0.00029 -0.00053 50 2PZ 0.01273 0.00065 0.00158 -0.00708 0.00019 51 3S 0.00178 0.00547 0.00826 -0.00631 -0.00083 52 3PX -0.04501 -0.03226 0.00118 0.01415 -0.00075 53 3PY -0.00093 -0.00222 -0.00577 -0.00131 -0.00013 54 3PZ 0.01265 0.00148 0.00093 -0.00475 0.00038 55 4XX -0.00076 -0.00014 0.00086 0.00027 -0.00004 56 4YY -0.00010 0.00018 -0.00016 -0.00021 -0.00004 57 4ZZ 0.00033 -0.00048 -0.00043 0.00002 0.00006 58 4XY 0.00164 0.00188 0.00007 -0.00116 -0.00007 59 4XZ -0.00059 0.00038 0.00016 0.00012 -0.00002 60 4YZ -0.00101 -0.00071 -0.00020 0.00063 0.00005 61 5 C 1S 0.00215 0.00213 -0.00041 -0.00135 -0.00007 62 2S -0.00430 -0.00506 0.00156 0.00268 0.00013 63 2PX 0.01109 0.01056 0.00247 -0.00728 -0.00037 64 2PY -0.01300 -0.00583 0.00087 0.00565 0.00017 65 2PZ -0.00937 -0.00066 0.00595 0.00006 -0.00016 66 3S 0.01307 0.00438 -0.00384 0.00046 0.00050 67 3PX 0.00172 0.00382 0.00577 -0.00347 -0.00036 68 3PY 0.00627 0.00436 0.00033 -0.00070 0.00057 69 3PZ -0.00719 0.00103 0.00420 -0.00031 -0.00023 70 4XX 0.00110 0.00119 -0.00011 -0.00047 0.00002 71 4YY -0.00063 -0.00095 -0.00001 0.00027 -0.00001 72 4ZZ 0.00013 0.00021 0.00016 -0.00011 -0.00001 73 4XY 0.00076 0.00014 0.00001 -0.00027 -0.00001 74 4XZ -0.00071 -0.00029 -0.00007 0.00032 -0.00001 75 4YZ -0.00013 -0.00079 -0.00018 0.00009 0.00003 76 6 C 1S 0.00028 0.00040 0.00002 -0.00007 0.00002 77 2S -0.00048 -0.00088 0.00035 -0.00016 -0.00008 78 2PX 0.00094 0.00447 0.00220 -0.00072 -0.00009 79 2PY 0.00280 0.00144 0.00202 -0.00187 -0.00016 80 2PZ -0.00270 0.01079 0.00388 -0.00018 -0.00042 81 3S -0.00219 -0.00293 0.00242 0.00067 0.00006 82 3PX 0.00314 0.00620 0.00059 -0.00137 0.00004 83 3PY 0.00154 0.00301 0.00039 -0.00241 0.00019 84 3PZ -0.00460 0.00801 0.00417 -0.00012 -0.00035 85 4XX -0.00053 -0.00021 0.00009 -0.00006 0.00002 86 4YY -0.00002 -0.00010 0.00015 0.00002 0.00000 87 4ZZ 0.00045 0.00023 -0.00015 0.00007 -0.00001 88 4XY 0.00016 0.00021 0.00008 -0.00022 -0.00003 89 4XZ -0.00019 -0.00026 -0.00003 0.00000 0.00001 90 4YZ -0.00055 -0.00003 0.00028 -0.00001 0.00000 91 7 C 1S 0.00256 0.00115 -0.00130 0.00009 -0.00011 92 2S -0.00451 -0.00206 0.00185 -0.00090 0.00027 93 2PX 0.00572 0.00509 -0.00298 0.00190 -0.00055 94 2PY -0.00189 -0.00022 0.00221 -0.00090 0.00029 95 2PZ 0.00800 0.00540 -0.00066 0.00143 -0.00019 96 3S -0.00092 -0.00390 0.00519 0.00225 -0.00077 97 3PX 0.00787 0.00886 -0.00603 -0.00202 0.00024 98 3PY 0.00012 0.00015 0.00073 0.00176 -0.00034 99 3PZ 0.00423 0.00360 -0.00026 0.00316 -0.00058 100 4XX -0.00040 0.00050 0.00035 -0.00012 -0.00001 101 4YY 0.00051 0.00007 0.00011 -0.00002 -0.00003 102 4ZZ 0.00019 -0.00043 -0.00036 0.00004 0.00003 103 4XY 0.00002 0.00018 -0.00031 0.00003 -0.00001 104 4XZ -0.00045 0.00050 0.00029 -0.00014 -0.00001 105 4YZ 0.00045 -0.00008 -0.00012 0.00013 0.00000 106 8 C 1S -0.00762 -0.00173 0.00108 0.00023 0.00022 107 2S 0.01255 0.00236 -0.00108 0.00018 -0.00049 108 2PX -0.00372 -0.00734 0.00479 -0.00033 0.00053 109 2PY 0.00426 -0.00519 -0.00136 0.00486 -0.00094 110 2PZ 0.01804 -0.00318 -0.00857 0.00201 0.00034 111 3S 0.00462 0.00141 -0.00551 -0.00137 0.00033 112 3PX -0.00588 -0.00742 0.00297 -0.00005 0.00063 113 3PY 0.00401 -0.00727 0.00856 0.00414 -0.00153 114 3PZ 0.01533 -0.00265 -0.00523 -0.00022 0.00058 115 4XX 0.00191 0.00126 -0.00086 -0.00042 0.00001 116 4YY -0.00061 -0.00126 -0.00002 0.00056 0.00001 117 4ZZ 0.00003 0.00059 0.00026 -0.00028 0.00002 118 4XY 0.00271 0.00126 -0.00015 -0.00035 -0.00007 119 4XZ -0.00119 -0.00081 0.00004 0.00063 -0.00002 120 4YZ -0.00075 -0.00119 -0.00019 -0.00004 0.00013 121 9 H 1S 0.01607 0.00884 -0.00449 -0.00285 -0.00040 122 2S 0.01487 0.00540 0.00757 -0.00239 -0.00119 123 10 H 1S 0.00108 0.00005 -0.00020 0.00016 -0.00014 124 2S 0.00339 0.00152 -0.00086 0.00021 -0.00024 125 11 H 1S -0.00189 -0.00084 0.00017 0.00073 0.00011 126 2S -0.00319 -0.00153 0.00042 0.00085 0.00017 127 12 H 1S 0.00703 0.00515 0.00027 -0.00300 -0.00004 128 2S 0.00716 0.00687 -0.00111 -0.00383 -0.00007 129 13 H 1S -0.00170 -0.00048 -0.00034 -0.00224 -0.00040 130 2S 0.01366 0.00869 0.00045 -0.00478 0.00027 131 14 O 1S 0.01665 -0.00150 0.00010 -0.00146 -0.00035 132 2S -0.03444 0.00307 -0.00252 0.00330 0.00055 133 2PX 0.16728 0.06676 -0.00774 -0.01124 0.00507 134 2PY -0.00454 0.02546 -0.02296 -0.02302 0.00362 135 2PZ -0.12556 -0.04147 -0.02072 0.01090 0.00238 136 3S -0.02938 0.00648 -0.00394 -0.00330 0.00128 137 3PX 0.13618 0.06096 -0.00705 -0.01537 0.00428 138 3PY -0.01282 0.01312 -0.01637 -0.01288 0.00238 139 3PZ -0.09510 -0.03426 -0.01725 0.00909 0.00139 140 4XX 0.00120 0.00085 -0.00053 -0.00038 -0.00002 141 4YY -0.00032 -0.00237 0.00172 0.00184 -0.00035 142 4ZZ -0.00239 0.00075 -0.00147 -0.00061 0.00030 143 4XY -0.00445 -0.00087 0.00062 -0.00094 -0.00017 144 4XZ 0.00210 0.00046 -0.00069 0.00055 0.00012 145 4YZ 0.00428 0.00129 0.00019 -0.00036 -0.00019 146 15 C 1S -0.00557 0.00006 0.01647 0.00541 -0.00309 147 2S -0.00271 -0.01082 -0.02861 -0.00819 0.00479 148 2PX 0.07149 -0.04281 -0.06132 -0.02692 -0.00314 149 2PY 0.03239 -0.05269 -0.03797 -0.03236 0.00710 150 2PZ 0.05274 -0.04698 -0.04673 -0.02454 0.00867 151 3S -0.03152 0.00435 -0.04811 -0.00345 0.00543 152 3PX -0.00083 -0.02682 -0.03005 -0.00535 -0.00406 153 3PY 0.00308 -0.01374 -0.03515 -0.02692 0.00668 154 3PZ -0.01680 -0.02668 -0.02621 -0.01614 0.00625 155 4XX 0.00452 0.00030 -0.00502 -0.00367 0.00064 156 4YY 0.00219 0.00004 0.00363 0.00084 -0.00019 157 4ZZ -0.00279 -0.00184 0.00034 0.00288 -0.00041 158 4XY 0.00679 -0.00190 -0.00206 -0.00193 0.00035 159 4XZ 0.00341 -0.00314 -0.00333 -0.00091 0.00010 160 4YZ 0.00705 -0.00534 -0.00080 -0.00079 -0.00019 161 16 C 1S -0.00035 -0.00608 -0.00574 -0.00131 -0.00015 162 2S 0.00362 0.01052 0.01224 0.00194 0.00030 163 2PX -0.01299 0.02038 0.01745 0.01553 -0.00440 164 2PY -0.03083 0.03126 0.01182 0.01609 0.00368 165 2PZ -0.01257 -0.00003 -0.00560 -0.00001 0.00439 166 3S 0.00131 0.01257 -0.00017 -0.00282 0.00159 167 3PX 0.00533 0.01101 0.02164 0.00756 -0.00433 168 3PY -0.00443 0.01321 0.01033 -0.00208 0.00241 169 3PZ -0.00769 0.00479 0.00101 0.00583 0.00261 170 4XX 0.00203 -0.00089 -0.00135 -0.00045 -0.00021 171 4YY -0.00130 0.00055 0.00013 -0.00001 0.00047 172 4ZZ -0.00002 0.00047 0.00135 0.00031 -0.00025 173 4XY 0.00145 -0.00084 -0.00156 -0.00042 -0.00017 174 4XZ 0.00114 -0.00125 -0.00053 -0.00086 0.00016 175 4YZ 0.00297 -0.00310 -0.00249 -0.00180 0.00020 176 17 C 1S -0.00478 0.00413 0.00334 0.00243 0.00003 177 2S 0.00999 -0.00879 -0.00892 -0.00491 -0.00004 178 2PX 0.02527 -0.02004 -0.00615 -0.01991 0.00076 179 2PY 0.01827 -0.01113 -0.00868 -0.00486 -0.00075 180 2PZ 0.00713 -0.00722 -0.00349 -0.00243 -0.00080 181 3S 0.00796 -0.00705 0.00248 -0.00181 -0.00108 182 3PX 0.01546 -0.01012 -0.00086 -0.01340 0.00094 183 3PY 0.00702 -0.00412 -0.00055 0.00255 -0.00126 184 3PZ 0.00689 -0.00321 0.00056 -0.00079 -0.00090 185 4XX 0.00114 -0.00026 0.00056 0.00012 -0.00042 186 4YY -0.00145 0.00140 0.00062 0.00076 0.00004 187 4ZZ -0.00019 -0.00064 -0.00075 -0.00053 0.00037 188 4XY 0.00001 0.00008 0.00060 -0.00016 0.00008 189 4XZ 0.00100 -0.00065 -0.00037 -0.00035 -0.00008 190 4YZ 0.00081 -0.00058 -0.00031 -0.00071 0.00020 191 18 C 1S 0.00034 0.00021 0.00081 0.00026 -0.00003 192 2S 0.00265 -0.00065 -0.00222 -0.00076 0.00006 193 2PX -0.00406 -0.00564 -0.00282 -0.00601 0.00372 194 2PY 0.00044 0.00288 0.00370 -0.00090 -0.00235 195 2PZ 0.00099 0.00598 -0.00258 0.00794 -0.00298 196 3S -0.00071 -0.00682 -0.00533 -0.00453 0.00052 197 3PX -0.00526 -0.00306 -0.00436 -0.00720 0.00390 198 3PY -0.00525 0.00077 0.00045 0.00331 -0.00223 199 3PZ 0.00373 0.00454 0.00106 0.00466 -0.00268 200 4XX 0.00097 -0.00093 -0.00011 -0.00029 0.00006 201 4YY 0.00004 0.00051 0.00006 -0.00045 0.00000 202 4ZZ -0.00048 0.00013 -0.00009 0.00060 -0.00005 203 4XY 0.00069 -0.00061 -0.00012 0.00019 -0.00001 204 4XZ 0.00105 -0.00027 -0.00050 -0.00054 0.00000 205 4YZ 0.00149 -0.00034 -0.00051 -0.00044 -0.00004 206 19 C 1S -0.00653 0.00292 0.00306 0.00116 -0.00007 207 2S 0.01513 -0.00679 -0.00555 -0.00403 0.00017 208 2PX 0.02533 -0.01990 -0.01073 0.00443 0.00062 209 2PY 0.01741 -0.00013 -0.01062 -0.00397 -0.00023 210 2PZ 0.03140 -0.00316 -0.01492 -0.01034 -0.00034 211 3S -0.00042 -0.00772 0.00001 0.00169 -0.00052 212 3PX 0.00208 -0.01464 -0.00434 0.00564 0.00068 213 3PY -0.00454 -0.00463 -0.00441 -0.00230 -0.00061 214 3PZ 0.01659 0.00218 -0.00829 -0.00540 -0.00076 215 4XX 0.00042 -0.00040 0.00049 0.00136 -0.00041 216 4YY 0.00051 -0.00036 -0.00057 -0.00106 0.00031 217 4ZZ -0.00155 0.00118 0.00057 -0.00006 0.00008 218 4XY 0.00177 -0.00044 -0.00085 -0.00016 -0.00013 219 4XZ -0.00064 0.00011 0.00025 0.00027 0.00008 220 4YZ 0.00149 -0.00044 -0.00118 -0.00085 0.00026 221 20 C 1S 0.00199 -0.00470 0.00227 -0.00256 0.00024 222 2S -0.00450 0.00807 -0.00481 0.00528 -0.00027 223 2PX -0.04006 0.00988 0.02099 0.02187 -0.00514 224 2PY 0.00916 0.00221 -0.01401 -0.01625 0.00330 225 2PZ -0.05106 0.02239 0.01444 -0.00355 0.00413 226 3S -0.02078 0.00025 -0.00022 0.00589 -0.00109 227 3PX -0.03459 -0.00292 0.01818 0.02284 -0.00514 228 3PY 0.01254 0.01155 -0.00705 -0.00755 0.00229 229 3PZ -0.04373 0.00025 0.00762 -0.00193 0.00204 230 4XX 0.00252 -0.00032 -0.00140 -0.00104 -0.00017 231 4YY 0.00035 0.00116 0.00075 0.00092 -0.00028 232 4ZZ -0.00198 -0.00055 0.00023 -0.00021 0.00050 233 4XY 0.00271 -0.00096 -0.00133 -0.00095 0.00023 234 4XZ 0.00040 -0.00090 -0.00068 -0.00021 -0.00007 235 4YZ 0.00365 -0.00272 -0.00134 -0.00078 0.00011 236 21 H 1S 0.00337 0.00460 -0.00430 -0.00011 -0.00041 237 2S -0.01003 -0.00215 0.00150 0.00113 -0.00064 238 22 H 1S -0.01535 0.00555 0.00732 0.00292 -0.00007 239 2S -0.01510 0.00828 0.00768 0.00440 -0.00024 240 23 H 1S 0.00657 -0.00278 -0.00172 -0.00115 0.00002 241 2S 0.00785 -0.00419 -0.00319 -0.00221 0.00007 242 24 H 1S -0.01102 0.00752 0.00406 0.00520 0.00002 243 2S -0.01091 0.01002 0.00744 0.00661 -0.00017 244 25 H 1S -0.00253 0.00419 0.00771 0.00175 -0.00005 245 2S -0.00022 0.00302 0.01246 -0.00387 -0.00023 246 26 O 1S 0.03938 -0.00228 -0.00796 0.00357 0.00117 247 2S -0.08155 0.00790 0.01592 -0.00937 -0.00255 248 2PX -0.00666 0.04909 0.04452 -0.04106 0.01313 249 2PY -0.04809 0.01457 -0.04676 0.08874 0.00050 250 2PZ -0.04500 0.00577 0.03205 -0.05172 0.00722 251 3S -0.13863 -0.00593 0.03080 -0.01287 -0.00278 252 3PX 0.00003 0.02579 0.03283 -0.02719 0.00944 253 3PY -0.05854 0.01083 -0.05048 0.06109 0.00117 254 3PZ -0.01184 0.01165 0.01506 -0.03933 0.00619 255 4XX -0.00118 -0.00369 -0.00214 0.00093 -0.00075 256 4YY 0.00186 0.00226 0.00224 0.00198 0.00021 257 4ZZ 0.00203 0.00299 -0.00170 -0.00213 0.00017 258 4XY 0.00078 0.00216 0.00183 -0.00566 0.00041 259 4XZ 0.00567 -0.00272 -0.00230 0.00424 -0.00037 260 4YZ -0.00424 -0.00056 0.00005 -0.00252 0.00022 261 27 H 1S -0.03080 -0.00968 -0.00436 -0.00701 -0.00233 262 2S 0.00295 0.00788 -0.00728 -0.01088 0.00102 263 28 H 1S 0.16391 -0.05271 0.12562 0.03077 -0.00490 264 2S 0.05816 -0.03939 0.08685 0.02626 -0.00504 11 12 13 14 15 11 4YY 0.00295 12 4ZZ -0.00159 0.00236 13 4XY -0.00145 0.00031 0.00190 14 4XZ -0.00033 0.00082 -0.00011 0.00309 15 4YZ 0.00052 -0.00117 0.00054 -0.00013 0.00254 16 2 C 1S 0.00250 -0.00185 -0.00244 0.00708 0.00123 17 2S -0.00570 0.00233 0.00430 -0.01423 -0.00230 18 2PX 0.00734 -0.00512 -0.00534 0.01513 0.00329 19 2PY 0.00426 0.00022 0.00357 0.00491 -0.00392 20 2PZ -0.00514 -0.00281 0.00385 -0.01242 -0.00104 21 3S -0.01043 0.00601 0.00533 -0.01288 -0.00393 22 3PX 0.00527 -0.00564 -0.00233 0.00530 0.00424 23 3PY 0.00145 -0.00121 0.00124 0.00384 0.00046 24 3PZ -0.00354 -0.00011 0.00366 -0.00427 -0.00279 25 4XX -0.00012 -0.00028 0.00008 -0.00061 0.00059 26 4YY 0.00025 -0.00011 0.00032 0.00095 -0.00022 27 4ZZ -0.00004 0.00044 -0.00059 -0.00044 -0.00039 28 4XY -0.00063 0.00030 0.00088 -0.00025 -0.00001 29 4XZ 0.00016 -0.00003 -0.00010 0.00126 0.00004 30 4YZ 0.00050 -0.00074 -0.00036 0.00006 0.00060 31 3 C 1S -0.00047 0.00044 0.00070 -0.00064 -0.00058 32 2S 0.00103 -0.00094 -0.00134 0.00081 0.00103 33 2PX -0.00118 0.00136 0.00369 -0.00044 -0.00239 34 2PY 0.00030 -0.00167 -0.00182 0.00080 0.00188 35 2PZ -0.00046 -0.00154 0.00045 0.00049 0.00050 36 3S 0.00068 0.00021 -0.00150 0.00588 0.00059 37 3PX -0.00368 0.00299 0.00345 -0.00186 -0.00224 38 3PY 0.00103 -0.00027 -0.00141 0.00135 -0.00004 39 3PZ 0.00049 -0.00170 -0.00022 0.00137 0.00144 40 4XX -0.00026 0.00014 0.00006 -0.00026 -0.00002 41 4YY 0.00016 -0.00007 0.00000 0.00018 0.00001 42 4ZZ -0.00003 0.00001 0.00002 0.00001 -0.00010 43 4XY 0.00001 0.00007 0.00016 0.00013 -0.00012 44 4XZ 0.00014 0.00003 -0.00006 0.00015 0.00008 45 4YZ -0.00002 -0.00011 -0.00001 -0.00014 0.00006 46 4 C 1S 0.00013 -0.00022 -0.00032 0.00012 0.00029 47 2S -0.00056 0.00049 0.00075 -0.00020 -0.00062 48 2PX 0.00052 -0.00084 -0.00114 0.00041 0.00094 49 2PY 0.00019 -0.00008 -0.00016 0.00042 -0.00016 50 2PZ -0.00028 0.00006 0.00081 0.00013 -0.00020 51 3S 0.00162 -0.00158 -0.00074 -0.00014 0.00046 52 3PX 0.00068 -0.00001 -0.00079 0.00210 0.00011 53 3PY -0.00128 0.00132 0.00097 0.00021 -0.00097 54 3PZ 0.00022 -0.00054 0.00038 -0.00046 0.00026 55 4XX 0.00011 -0.00004 -0.00012 0.00006 0.00010 56 4YY -0.00002 0.00002 0.00004 -0.00002 -0.00005 57 4ZZ -0.00004 -0.00003 0.00006 0.00003 0.00000 58 4XY -0.00005 0.00010 0.00010 -0.00007 -0.00012 59 4XZ -0.00001 0.00006 -0.00006 -0.00004 -0.00001 60 4YZ 0.00001 -0.00005 -0.00005 0.00005 0.00007 61 5 C 1S -0.00007 0.00010 0.00014 -0.00003 -0.00013 62 2S 0.00023 -0.00030 -0.00035 0.00012 0.00036 63 2PX 0.00000 0.00044 0.00035 -0.00012 -0.00050 64 2PY 0.00023 -0.00022 -0.00040 0.00011 0.00032 65 2PZ 0.00038 0.00001 -0.00059 -0.00018 0.00017 66 3S -0.00097 0.00073 0.00045 -0.00067 -0.00017 67 3PX 0.00074 -0.00036 -0.00040 0.00005 0.00016 68 3PY 0.00007 -0.00039 -0.00015 -0.00062 0.00043 69 3PZ 0.00002 0.00044 -0.00037 -0.00019 -0.00015 70 4XX -0.00005 0.00004 0.00006 -0.00004 -0.00004 71 4YY 0.00002 -0.00002 -0.00003 0.00002 0.00002 72 4ZZ 0.00001 0.00001 -0.00001 0.00000 0.00000 73 4XY 0.00001 -0.00001 0.00002 0.00003 0.00000 74 4XZ 0.00003 -0.00003 -0.00004 0.00001 0.00002 75 4YZ -0.00001 -0.00002 0.00003 0.00002 0.00001 76 6 C 1S 0.00001 0.00001 0.00004 -0.00002 -0.00003 77 2S -0.00001 -0.00001 -0.00006 0.00004 0.00005 78 2PX 0.00008 0.00022 -0.00013 -0.00019 -0.00012 79 2PY 0.00010 0.00005 -0.00021 -0.00008 0.00001 80 2PZ 0.00013 0.00042 -0.00048 -0.00035 -0.00006 81 3S 0.00059 -0.00067 -0.00056 0.00005 0.00049 82 3PX -0.00018 0.00029 0.00006 -0.00044 -0.00018 83 3PY 0.00009 -0.00025 -0.00004 -0.00008 0.00014 84 3PZ 0.00028 0.00021 -0.00048 -0.00021 -0.00006 85 4XX 0.00000 -0.00001 0.00001 0.00000 0.00000 86 4YY 0.00002 -0.00001 -0.00002 0.00000 0.00002 87 4ZZ -0.00002 0.00001 0.00001 0.00000 0.00000 88 4XY 0.00001 0.00001 0.00001 0.00000 -0.00002 89 4XZ 0.00001 -0.00002 0.00000 0.00000 0.00001 90 4YZ 0.00002 0.00000 -0.00002 -0.00001 0.00001 91 7 C 1S -0.00005 0.00000 0.00006 0.00002 -0.00003 92 2S -0.00004 -0.00006 -0.00006 -0.00002 0.00006 93 2PX -0.00005 0.00024 0.00010 0.00010 -0.00013 94 2PY -0.00013 0.00000 -0.00012 -0.00015 0.00014 95 2PZ -0.00028 0.00040 -0.00008 -0.00012 -0.00004 96 3S 0.00076 -0.00001 -0.00072 -0.00033 -0.00001 97 3PX -0.00093 0.00048 0.00075 0.00000 -0.00014 98 3PY -0.00010 0.00029 -0.00018 -0.00018 0.00000 99 3PZ -0.00002 0.00057 -0.00028 0.00002 -0.00001 100 4XX 0.00001 0.00000 -0.00004 -0.00003 0.00003 101 4YY 0.00002 0.00002 0.00003 0.00000 -0.00002 102 4ZZ -0.00002 -0.00002 0.00003 0.00003 0.00001 103 4XY -0.00002 0.00001 0.00000 0.00001 -0.00001 104 4XZ 0.00003 0.00001 -0.00002 -0.00002 -0.00001 105 4YZ -0.00003 0.00001 0.00001 0.00001 0.00001 106 8 C 1S 0.00000 -0.00005 -0.00012 -0.00016 0.00004 107 2S -0.00021 0.00029 0.00034 0.00021 -0.00018 108 2PX 0.00035 -0.00009 0.00024 -0.00003 -0.00028 109 2PY 0.00087 0.00005 0.00032 0.00075 -0.00050 110 2PZ -0.00092 -0.00027 0.00041 0.00032 0.00013 111 3S -0.00115 0.00082 0.00127 0.00031 -0.00070 112 3PX 0.00089 -0.00101 -0.00031 0.00012 0.00007 113 3PY 0.00227 -0.00053 -0.00097 -0.00007 -0.00036 114 3PZ -0.00087 -0.00036 0.00056 0.00006 0.00003 115 4XX -0.00014 0.00008 0.00007 -0.00002 -0.00002 116 4YY 0.00002 -0.00001 -0.00003 0.00004 -0.00002 117 4ZZ 0.00003 -0.00003 -0.00005 -0.00001 -0.00004 118 4XY -0.00004 0.00004 0.00011 -0.00004 -0.00003 119 4XZ 0.00000 0.00006 0.00000 0.00002 0.00005 120 4YZ 0.00001 -0.00011 0.00000 0.00005 0.00000 121 9 H 1S -0.00034 -0.00005 0.00009 -0.00017 -0.00001 122 2S 0.00200 -0.00119 -0.00130 -0.00052 0.00044 123 10 H 1S 0.00010 0.00004 0.00006 0.00005 -0.00011 124 2S -0.00002 0.00020 0.00021 -0.00004 -0.00021 125 11 H 1S 0.00001 -0.00003 0.00000 0.00000 0.00002 126 2S 0.00010 -0.00014 -0.00006 0.00004 0.00010 127 12 H 1S -0.00011 0.00018 0.00028 -0.00006 -0.00020 128 2S -0.00045 0.00051 0.00055 -0.00016 -0.00050 129 13 H 1S -0.00008 0.00014 0.00016 -0.00006 -0.00034 130 2S 0.00007 -0.00041 0.00005 -0.00111 0.00017 131 14 O 1S -0.00026 -0.00090 -0.00028 -0.00034 0.00059 132 2S 0.00027 0.00193 0.00060 0.00150 -0.00098 133 2PX 0.00094 -0.00380 0.00215 -0.00150 0.00448 134 2PY -0.00062 -0.00570 -0.00092 0.00025 0.00410 135 2PZ 0.00116 -0.00277 0.00746 0.00429 -0.00297 136 3S 0.00013 0.00060 -0.00100 0.00060 -0.00104 137 3PX -0.00020 -0.00217 0.00244 -0.00302 0.00282 138 3PY -0.00036 -0.00347 0.00003 0.00059 0.00282 139 3PZ 0.00121 -0.00250 0.00486 0.00420 -0.00147 140 4XX -0.00003 -0.00002 -0.00005 0.00016 0.00019 141 4YY 0.00000 0.00053 -0.00007 0.00010 -0.00011 142 4ZZ 0.00001 -0.00028 0.00041 0.00010 0.00001 143 4XY -0.00019 0.00029 -0.00003 -0.00027 -0.00023 144 4XZ 0.00003 -0.00010 0.00006 0.00016 0.00011 145 4YZ -0.00005 0.00008 -0.00046 0.00004 0.00023 146 15 C 1S 0.00086 -0.00048 -0.00505 -0.00484 -0.00387 147 2S -0.00184 0.00010 0.00882 0.00872 0.00705 148 2PX 0.00103 0.00315 0.00787 0.00881 0.01242 149 2PY -0.00821 0.00158 0.00311 0.00942 0.00242 150 2PZ -0.00061 -0.00690 0.00973 0.00231 0.00402 151 3S -0.00760 0.00384 0.01072 0.01262 0.00825 152 3PX 0.00178 0.00238 0.00383 0.00860 0.00879 153 3PY -0.00721 0.00036 0.00516 0.00570 0.00246 154 3PZ -0.00270 -0.00375 0.00483 0.00282 0.00019 155 4XX -0.00079 0.00025 0.00058 -0.00001 -0.00014 156 4YY 0.00071 -0.00041 -0.00018 -0.00024 0.00036 157 4ZZ 0.00006 0.00040 -0.00033 0.00052 -0.00020 158 4XY 0.00006 -0.00017 0.00063 0.00009 0.00063 159 4XZ -0.00013 0.00026 0.00025 0.00086 0.00018 160 4YZ 0.00050 -0.00019 0.00001 0.00039 0.00063 161 16 C 1S -0.00059 0.00065 -0.00039 0.00086 -0.00023 162 2S 0.00154 -0.00147 0.00067 -0.00187 0.00047 163 2PX 0.00539 -0.00014 -0.00012 0.00010 0.00332 164 2PY 0.00205 -0.00450 0.00368 -0.00469 -0.00146 165 2PZ -0.00468 0.00007 0.00135 0.00087 -0.00181 166 3S -0.00159 0.00038 0.00268 0.00033 0.00292 167 3PX 0.00541 -0.00100 -0.00260 -0.00168 0.00119 168 3PY 0.00214 -0.00439 0.00110 -0.00452 -0.00167 169 3PZ -0.00337 0.00050 0.00005 -0.00127 -0.00308 170 4XX 0.00004 0.00015 -0.00001 0.00013 0.00014 171 4YY -0.00003 -0.00035 0.00032 -0.00005 -0.00005 172 4ZZ 0.00002 0.00020 -0.00030 -0.00001 -0.00007 173 4XY 0.00022 -0.00001 0.00027 0.00015 0.00034 174 4XZ -0.00023 0.00003 -0.00007 0.00006 -0.00020 175 4YZ -0.00018 -0.00005 0.00015 0.00014 -0.00001 176 17 C 1S 0.00031 -0.00023 0.00009 -0.00036 -0.00003 177 2S -0.00085 0.00049 0.00002 0.00090 0.00022 178 2PX -0.00117 0.00006 -0.00044 0.00067 -0.00025 179 2PY -0.00073 0.00115 -0.00059 0.00077 0.00025 180 2PZ -0.00014 0.00068 -0.00023 0.00026 0.00054 181 3S 0.00147 -0.00118 -0.00166 -0.00145 -0.00170 182 3PX -0.00001 -0.00117 -0.00039 -0.00058 -0.00092 183 3PY 0.00009 0.00087 -0.00112 0.00009 -0.00037 184 3PZ 0.00150 -0.00073 -0.00023 -0.00038 0.00082 185 4XX 0.00030 0.00012 -0.00018 0.00008 0.00022 186 4YY 0.00009 -0.00011 0.00005 -0.00018 -0.00007 187 4ZZ -0.00036 -0.00004 0.00012 0.00002 -0.00018 188 4XY 0.00003 -0.00012 -0.00001 -0.00017 -0.00009 189 4XZ -0.00004 0.00008 -0.00009 0.00008 0.00003 190 4YZ -0.00017 -0.00004 0.00003 -0.00006 -0.00010 191 18 C 1S 0.00009 -0.00001 -0.00011 -0.00015 -0.00006 192 2S -0.00017 0.00004 0.00021 0.00029 0.00006 193 2PX -0.00273 -0.00127 0.00140 -0.00043 -0.00186 194 2PY 0.00174 0.00045 -0.00050 0.00039 0.00133 195 2PZ 0.00172 0.00122 -0.00089 0.00107 0.00160 196 3S 0.00006 -0.00057 0.00088 0.00118 0.00113 197 3PX -0.00284 -0.00110 0.00170 -0.00021 -0.00148 198 3PY 0.00134 0.00086 -0.00031 0.00105 0.00144 199 3PZ 0.00207 0.00078 -0.00068 0.00091 0.00193 200 4XX -0.00002 -0.00004 0.00000 -0.00002 -0.00001 201 4YY 0.00005 -0.00004 0.00002 -0.00002 0.00003 202 4ZZ -0.00002 0.00007 -0.00001 0.00003 0.00001 203 4XY 0.00003 -0.00002 0.00002 -0.00004 0.00003 204 4XZ -0.00002 0.00002 -0.00002 0.00002 0.00000 205 4YZ 0.00003 0.00001 -0.00003 -0.00003 0.00003 206 19 C 1S -0.00020 0.00033 -0.00034 0.00016 -0.00041 207 2S 0.00036 -0.00081 0.00078 -0.00033 0.00103 208 2PX 0.00037 -0.00118 0.00104 -0.00087 0.00087 209 2PY 0.00039 -0.00018 0.00017 -0.00019 0.00082 210 2PZ 0.00093 -0.00068 0.00048 -0.00065 0.00099 211 3S 0.00003 -0.00040 -0.00021 -0.00056 0.00027 212 3PX -0.00050 -0.00056 0.00061 -0.00015 0.00006 213 3PY 0.00024 0.00015 -0.00022 0.00077 0.00073 214 3PZ 0.00033 0.00021 0.00006 -0.00040 0.00042 215 4XX 0.00029 0.00012 -0.00014 0.00006 0.00021 216 4YY -0.00017 -0.00016 0.00016 -0.00008 -0.00012 217 4ZZ -0.00014 0.00007 -0.00008 0.00001 -0.00014 218 4XY 0.00014 -0.00004 0.00002 -0.00003 0.00011 219 4XZ -0.00012 0.00003 -0.00005 -0.00003 -0.00012 220 4YZ -0.00015 -0.00012 0.00010 -0.00010 -0.00011 221 20 C 1S 0.00096 -0.00080 0.00061 -0.00067 0.00095 222 2S -0.00179 0.00191 -0.00127 0.00147 -0.00193 223 2PX 0.00135 0.00408 -0.00262 0.00337 0.00099 224 2PY -0.00146 -0.00242 0.00219 -0.00095 -0.00167 225 2PZ -0.00581 0.00244 -0.00158 0.00255 -0.00451 226 3S 0.00040 0.00050 -0.00211 0.00138 -0.00341 227 3PX 0.00237 0.00216 -0.00319 0.00104 -0.00009 228 3PY -0.00188 -0.00086 0.00113 -0.00199 -0.00227 229 3PZ -0.00259 0.00018 -0.00169 0.00087 -0.00371 230 4XX 0.00007 0.00010 0.00010 0.00005 0.00029 231 4YY 0.00030 -0.00007 -0.00012 -0.00027 -0.00011 232 4ZZ -0.00035 -0.00010 0.00011 0.00019 -0.00015 233 4XY -0.00004 -0.00024 0.00013 -0.00017 -0.00010 234 4XZ -0.00004 0.00015 0.00008 0.00032 0.00031 235 4YZ 0.00004 -0.00015 0.00017 0.00001 0.00025 236 21 H 1S 0.00045 -0.00051 0.00007 -0.00060 -0.00112 237 2S 0.00124 -0.00104 -0.00055 -0.00057 -0.00054 238 22 H 1S -0.00049 0.00056 -0.00048 0.00043 -0.00039 239 2S -0.00067 0.00095 -0.00083 0.00027 -0.00097 240 23 H 1S 0.00008 0.00004 -0.00007 -0.00014 0.00007 241 2S 0.00002 0.00004 0.00009 0.00000 0.00028 242 24 H 1S 0.00066 -0.00061 0.00032 -0.00064 -0.00006 243 2S 0.00088 -0.00059 -0.00001 -0.00116 -0.00041 244 25 H 1S -0.00074 0.00070 -0.00081 0.00035 -0.00024 245 2S 0.00105 -0.00097 -0.00180 -0.00069 -0.00079 246 26 O 1S -0.00039 -0.00418 0.00319 -0.00492 0.00528 247 2S 0.00016 0.00946 -0.00684 0.01088 -0.01176 248 2PX -0.00261 -0.01341 -0.00317 0.01248 0.01583 249 2PY -0.02355 0.02736 0.00421 0.01888 0.00249 250 2PZ -0.00706 -0.00441 0.01343 -0.01193 0.02360 251 3S 0.00317 0.00472 -0.01016 0.01564 -0.01170 252 3PX -0.00158 -0.00969 -0.00186 0.01011 0.01289 253 3PY -0.02018 0.02141 0.00530 0.01538 0.00230 254 3PZ -0.00601 -0.00260 0.01014 -0.00747 0.01734 255 4XX 0.00017 0.00085 0.00046 -0.00104 -0.00075 256 4YY -0.00038 0.00036 -0.00023 0.00047 0.00041 257 4ZZ -0.00035 0.00060 0.00003 0.00011 -0.00056 258 4XY 0.00065 -0.00143 -0.00003 -0.00075 0.00022 259 4XZ 0.00064 -0.00003 -0.00086 0.00127 -0.00107 260 4YZ -0.00013 -0.00048 0.00058 -0.00038 0.00087 261 27 H 1S -0.00284 0.00617 0.00542 -0.00753 0.00032 262 2S -0.00310 0.00157 0.00428 -0.00629 0.00148 263 28 H 1S 0.02128 -0.01085 -0.01313 -0.00464 0.00807 264 2S 0.01590 -0.00914 -0.01018 -0.00222 0.00541 16 17 18 19 20 16 2 C 1S 2.06182 17 2S -0.10743 0.33721 18 2PX -0.00069 0.00290 0.35763 19 2PY 0.00439 -0.00917 -0.04907 0.37418 20 2PZ -0.00251 0.00634 -0.08022 -0.06670 0.29594 21 3S -0.12898 0.22510 -0.02155 -0.07346 0.05714 22 3PX 0.00815 -0.01647 0.12679 0.00308 0.00262 23 3PY 0.04550 -0.06385 0.01240 0.06832 0.03896 24 3PZ -0.02730 0.04433 -0.00268 0.02639 0.10111 25 4XX -0.00206 -0.00165 -0.00203 -0.01933 0.01354 26 4YY -0.00470 0.00603 0.01625 0.01635 -0.00344 27 4ZZ -0.00021 -0.00604 -0.01469 -0.00545 -0.00422 28 4XY 0.00215 -0.00526 -0.01135 0.01482 0.01201 29 4XZ 0.00331 -0.00824 0.00848 0.00358 -0.01386 30 4YZ 0.00397 -0.01053 0.00938 -0.01597 0.01217 31 3 C 1S 0.01358 -0.02806 -0.04966 0.04407 0.01019 32 2S -0.02801 0.05482 0.09650 -0.08556 -0.01665 33 2PX 0.05298 -0.11101 -0.14589 0.16135 0.05215 34 2PY -0.04658 0.10014 0.15821 -0.12221 -0.01318 35 2PZ -0.01155 0.02337 0.05731 -0.01145 0.04360 36 3S 0.00372 0.01675 0.10194 -0.07545 -0.04947 37 3PX -0.00549 -0.01035 -0.09931 0.09632 0.01175 38 3PY -0.02685 0.05075 0.07444 -0.04486 -0.02973 39 3PZ 0.01099 -0.01191 0.04358 -0.01643 0.03135 40 4XX -0.00427 0.00704 0.00156 -0.00757 -0.00038 41 4YY -0.00247 0.00332 0.00617 0.00285 -0.00194 42 4ZZ 0.00129 -0.00351 -0.00467 0.00358 0.00166 43 4XY 0.00672 -0.01346 -0.01321 0.01110 0.00314 44 4XZ 0.00073 -0.00133 0.00022 0.00200 -0.00405 45 4YZ -0.00176 0.00388 0.00425 -0.00411 0.00314 46 4 C 1S -0.00353 0.00809 0.01215 -0.00711 -0.00320 47 2S 0.00638 -0.01621 -0.02759 0.01609 0.00615 48 2PX -0.01294 0.02778 0.04147 -0.02743 -0.00732 49 2PY 0.00190 -0.00616 -0.00296 0.00090 -0.00178 50 2PZ 0.00509 -0.01270 -0.00625 0.02176 0.01690 51 3S 0.02114 -0.03573 -0.01117 -0.00835 0.01990 52 3PX -0.01610 0.02705 0.03127 -0.00242 -0.03576 53 3PY 0.00033 -0.00248 -0.02426 0.02508 -0.00519 54 3PZ 0.00576 -0.01056 0.00412 0.00575 0.02465 55 4XX -0.00051 0.00145 0.00392 -0.00356 -0.00241 56 4YY 0.00088 -0.00182 -0.00357 0.00256 0.00018 57 4ZZ -0.00013 0.00018 0.00090 0.00094 0.00160 58 4XY 0.00171 -0.00351 -0.00609 0.00343 0.00090 59 4XZ -0.00028 0.00027 -0.00210 -0.00050 -0.00195 60 4YZ -0.00104 0.00222 0.00354 -0.00241 -0.00062 61 5 C 1S 0.00177 -0.00399 -0.00632 0.00450 0.00131 62 2S -0.00428 0.00896 0.01533 -0.01107 -0.00357 63 2PX 0.00645 -0.01454 -0.02173 0.01541 0.00069 64 2PY -0.00498 0.01068 0.01553 -0.01183 -0.00469 65 2PZ -0.00171 0.00214 -0.00026 -0.00783 -0.00889 66 3S -0.00102 0.00563 0.00145 0.00073 0.00600 67 3PX 0.00272 -0.00840 -0.00580 -0.00054 -0.00282 68 3PY -0.00018 0.00223 0.01037 -0.01580 0.01076 69 3PZ -0.00078 0.00074 -0.00860 -0.00241 -0.01186 70 4XX 0.00032 -0.00061 -0.00179 0.00125 0.00053 71 4YY -0.00018 0.00026 0.00087 -0.00056 -0.00005 72 4ZZ 0.00005 -0.00026 -0.00033 0.00010 -0.00025 73 4XY 0.00024 -0.00053 -0.00004 0.00084 0.00019 74 4XZ -0.00026 0.00055 0.00085 -0.00103 -0.00047 75 4YZ -0.00005 0.00004 0.00056 0.00044 0.00083 76 6 C 1S 0.00021 -0.00033 -0.00104 0.00097 0.00045 77 2S -0.00024 0.00019 0.00151 -0.00140 -0.00098 78 2PX 0.00051 -0.00020 -0.00631 -0.00225 -0.00497 79 2PY -0.00014 0.00014 -0.00117 -0.00399 -0.00383 80 2PZ -0.00032 0.00060 -0.00843 -0.00870 -0.01289 81 3S -0.00396 0.00439 0.01502 -0.01512 0.00157 82 3PX 0.00244 -0.00213 -0.00805 -0.00108 0.00027 83 3PY -0.00041 0.00028 0.00095 -0.00678 0.00142 84 3PZ -0.00141 0.00194 -0.00563 -0.00633 -0.01254 85 4XX -0.00021 0.00037 0.00044 -0.00021 0.00022 86 4YY 0.00004 -0.00004 0.00012 -0.00022 -0.00010 87 4ZZ 0.00000 0.00004 -0.00013 -0.00003 -0.00012 88 4XY 0.00029 -0.00076 -0.00087 0.00076 -0.00003 89 4XZ 0.00006 -0.00013 0.00011 0.00019 0.00029 90 4YZ -0.00013 0.00023 0.00008 -0.00038 -0.00037 91 7 C 1S 0.00177 -0.00418 -0.00531 0.00582 0.00029 92 2S -0.00520 0.01054 0.01176 -0.01313 -0.00094 93 2PX 0.00556 -0.01287 -0.01654 0.01575 -0.00185 94 2PY -0.00604 0.01416 0.01635 -0.01734 -0.00190 95 2PZ -0.00118 0.00449 0.00042 -0.00783 -0.00591 96 3S 0.00561 -0.00436 0.00726 -0.01012 -0.00010 97 3PX 0.00342 -0.00596 -0.01417 0.00867 0.00323 98 3PY 0.00332 -0.00052 0.00578 -0.00811 -0.00028 99 3PZ -0.00174 0.00384 0.00117 -0.00744 -0.00797 100 4XX -0.00022 0.00045 0.00045 -0.00123 -0.00066 101 4YY 0.00064 -0.00134 -0.00188 0.00174 0.00019 102 4ZZ -0.00018 0.00012 0.00049 0.00035 0.00052 103 4XY -0.00011 0.00002 -0.00027 -0.00003 -0.00022 104 4XZ -0.00003 -0.00012 -0.00100 -0.00011 -0.00073 105 4YZ -0.00012 0.00036 0.00068 -0.00032 0.00011 106 8 C 1S -0.00377 0.00861 0.00814 -0.01137 0.00078 107 2S 0.00774 -0.01773 -0.01770 0.02423 -0.00077 108 2PX -0.00394 0.01067 0.01087 -0.00730 0.00681 109 2PY 0.01371 -0.03280 -0.03503 0.04203 0.00060 110 2PZ -0.00057 0.00266 0.01488 0.00565 0.01325 111 3S -0.01174 0.00606 -0.02114 0.04121 -0.01278 112 3PX -0.00947 0.01876 0.02258 -0.01601 0.00193 113 3PY 0.00223 -0.01195 -0.01397 0.03089 -0.01010 114 3PZ 0.00268 -0.00337 0.00126 0.00826 0.00802 115 4XX 0.00003 0.00019 -0.00068 0.00052 0.00045 116 4YY -0.00032 0.00041 0.00122 -0.00114 0.00023 117 4ZZ 0.00012 -0.00018 -0.00094 0.00019 -0.00058 118 4XY 0.00210 -0.00425 -0.00470 0.00613 0.00178 119 4XZ -0.00068 0.00132 0.00149 -0.00186 -0.00069 120 4YZ -0.00093 0.00182 0.00328 -0.00081 0.00169 121 9 H 1S 0.00431 -0.00970 -0.00976 0.01457 0.00137 122 2S 0.00321 -0.00702 0.00009 0.01071 -0.00224 123 10 H 1S 0.00251 -0.00560 -0.00765 0.00665 0.00035 124 2S 0.00542 -0.01028 -0.01342 0.01265 0.00182 125 11 H 1S -0.00094 0.00230 0.00220 -0.00187 -0.00006 126 2S -0.00217 0.00468 0.00575 -0.00477 -0.00056 127 12 H 1S 0.00205 -0.00443 -0.00692 0.00705 0.00186 128 2S 0.00313 -0.00620 -0.01593 0.01408 0.00179 129 13 H 1S 0.00424 -0.01104 -0.01817 0.00925 0.00126 130 2S 0.00580 -0.01355 -0.01555 -0.00203 0.01801 131 14 O 1S 0.01175 -0.01355 -0.00075 -0.04028 0.02364 132 2S -0.02040 0.02232 0.00283 0.08796 -0.04941 133 2PX 0.00035 0.00023 0.12195 0.05410 0.09745 134 2PY 0.08220 -0.17744 0.04944 -0.22676 0.26131 135 2PZ -0.04668 0.10398 0.09627 0.26011 0.07842 136 3S -0.01247 -0.02451 -0.00175 0.00950 -0.01881 137 3PX -0.00190 0.00400 0.05629 0.04881 0.08764 138 3PY 0.04778 -0.09549 0.04558 -0.12832 0.16497 139 3PZ -0.02734 0.05581 0.08541 0.16084 0.05859 140 4XX 0.00393 -0.00632 -0.00018 -0.00553 0.00374 141 4YY -0.00521 0.01157 -0.00360 0.00963 -0.02297 142 4ZZ 0.00057 0.00059 0.00471 0.00981 0.01307 143 4XY -0.00009 0.00038 -0.01306 -0.00201 -0.00494 144 4XZ -0.00043 0.00134 0.00754 0.00164 0.00226 145 4YZ 0.00592 -0.01129 -0.00296 -0.02015 -0.00019 146 15 C 1S -0.00376 0.00471 -0.00754 -0.00271 0.00647 147 2S 0.00441 -0.01071 0.01716 0.00446 -0.01447 148 2PX 0.00966 -0.02590 0.01890 0.00492 -0.03369 149 2PY 0.00431 -0.01142 0.01604 0.00181 -0.01656 150 2PZ 0.00126 -0.00169 0.00725 0.00129 -0.00952 151 3S 0.01762 -0.02399 0.03583 0.03558 -0.00576 152 3PX 0.01997 -0.03698 0.03775 0.01493 -0.04013 153 3PY 0.00852 -0.00761 0.00318 0.00425 -0.00077 154 3PZ 0.00029 -0.00195 0.00423 -0.00351 -0.01332 155 4XX -0.00145 0.00265 -0.00590 -0.00189 0.00252 156 4YY -0.00037 -0.00010 0.00130 0.00039 -0.00036 157 4ZZ 0.00025 -0.00150 0.00411 0.00117 -0.00255 158 4XY -0.00011 0.00033 -0.00266 -0.00035 0.00040 159 4XZ 0.00074 -0.00152 0.00217 0.00125 -0.00182 160 4YZ 0.00095 -0.00210 0.00278 0.00006 -0.00308 161 16 C 1S 0.00082 -0.00190 0.00226 0.00009 -0.00245 162 2S -0.00188 0.00435 -0.00506 -0.00045 0.00637 163 2PX 0.00360 -0.00522 0.01228 0.00422 -0.00665 164 2PY -0.00549 0.01445 -0.01877 -0.00252 0.02061 165 2PZ -0.00306 0.00505 -0.00840 -0.00299 0.00793 166 3S 0.00318 -0.00069 -0.00997 -0.00708 0.00311 167 3PX -0.00099 0.00040 0.01007 0.00635 -0.00634 168 3PY -0.00370 0.01049 -0.01718 -0.00031 0.01362 169 3PZ -0.00699 0.01078 -0.01067 0.00092 0.01299 170 4XX 0.00030 -0.00084 0.00029 0.00003 -0.00055 171 4YY 0.00000 0.00062 -0.00032 -0.00011 0.00078 172 4ZZ 0.00006 -0.00008 0.00004 -0.00022 0.00008 173 4XY 0.00034 -0.00076 0.00092 0.00024 -0.00098 174 4XZ -0.00003 0.00010 -0.00012 -0.00011 0.00011 175 4YZ 0.00005 -0.00016 0.00047 -0.00007 -0.00042 176 17 C 1S -0.00035 0.00094 -0.00113 -0.00032 0.00141 177 2S 0.00085 -0.00215 0.00242 -0.00023 -0.00287 178 2PX 0.00001 0.00070 0.00111 -0.00081 -0.00282 179 2PY 0.00116 -0.00457 0.00268 0.00028 -0.00495 180 2PZ 0.00101 -0.00474 0.00235 0.00100 -0.00384 181 3S -0.00241 0.00265 0.00366 0.00779 -0.00231 182 3PX -0.00187 0.00469 -0.00044 0.00298 0.00078 183 3PY 0.00006 -0.00246 0.00302 0.00483 -0.00379 184 3PZ 0.00026 -0.00308 0.00333 0.00266 -0.00384 185 4XX 0.00036 -0.00078 0.00136 0.00030 -0.00119 186 4YY -0.00020 0.00043 -0.00065 -0.00015 0.00067 187 4ZZ -0.00030 0.00057 -0.00085 -0.00029 0.00080 188 4XY -0.00021 0.00047 -0.00058 0.00001 0.00055 189 4XZ 0.00008 -0.00030 0.00039 0.00016 -0.00058 190 4YZ -0.00025 0.00037 -0.00073 -0.00019 0.00040 191 18 C 1S -0.00011 0.00026 -0.00068 -0.00027 0.00001 192 2S 0.00017 -0.00038 0.00119 0.00051 0.00017 193 2PX -0.00303 0.00716 -0.00909 -0.00206 0.01046 194 2PY 0.00199 -0.00545 0.00783 0.00235 -0.00541 195 2PZ 0.00288 -0.00637 0.00900 0.00164 -0.00949 196 3S 0.00101 -0.00392 0.00600 -0.00490 -0.00392 197 3PX -0.00310 0.00679 -0.01025 -0.00398 0.01057 198 3PY 0.00290 -0.00713 0.00980 -0.00078 -0.00686 199 3PZ 0.00238 -0.00581 0.00973 0.00329 -0.00688 200 4XX -0.00004 0.00008 -0.00009 -0.00014 0.00000 201 4YY -0.00005 0.00018 -0.00011 -0.00012 0.00003 202 4ZZ 0.00008 -0.00027 0.00014 0.00005 -0.00008 203 4XY 0.00002 -0.00016 -0.00004 -0.00004 -0.00010 204 4XZ 0.00000 0.00008 -0.00004 -0.00007 -0.00015 205 4YZ 0.00000 -0.00001 -0.00016 -0.00012 -0.00023 206 19 C 1S -0.00006 0.00006 0.00073 0.00035 0.00141 207 2S -0.00026 -0.00002 -0.00146 -0.00101 -0.00217 208 2PX 0.00013 -0.00142 -0.00161 -0.00068 -0.00214 209 2PY 0.00014 0.00130 -0.00280 -0.00184 -0.00451 210 2PZ -0.00005 0.00141 -0.00259 -0.00200 -0.00411 211 3S 0.00107 -0.00052 -0.00310 -0.00122 -0.01382 212 3PX 0.00085 -0.00230 0.00107 -0.00019 -0.00386 213 3PY 0.00153 -0.00360 0.00167 -0.00946 -0.01192 214 3PZ 0.00089 0.00148 -0.00331 0.00318 -0.00560 215 4XX 0.00041 -0.00101 0.00134 0.00036 -0.00104 216 4YY -0.00025 0.00060 -0.00078 -0.00021 0.00090 217 4ZZ -0.00012 0.00043 -0.00062 -0.00020 0.00028 218 4XY 0.00022 -0.00035 0.00035 0.00004 -0.00055 219 4XZ -0.00002 0.00028 -0.00053 -0.00010 0.00016 220 4YZ -0.00020 0.00063 -0.00097 -0.00039 0.00051 221 20 C 1S -0.00069 0.00012 -0.00334 -0.00163 -0.00158 222 2S 0.00118 -0.00087 0.00643 0.00308 0.00662 223 2PX 0.00529 -0.01450 0.02276 0.00830 -0.00738 224 2PY -0.00228 0.00661 -0.00278 0.00097 0.01437 225 2PZ -0.00299 0.00886 -0.00739 -0.00200 0.01153 226 3S -0.00275 0.00082 0.01536 0.01110 -0.00442 227 3PX 0.00362 -0.01093 0.01554 -0.00019 -0.02339 228 3PY -0.00505 0.01371 -0.00779 0.01392 0.01698 229 3PZ -0.00137 0.00224 -0.00482 -0.01501 -0.00725 230 4XX -0.00029 0.00007 -0.00055 -0.00053 -0.00089 231 4YY -0.00002 -0.00004 0.00052 0.00037 0.00146 232 4ZZ -0.00008 0.00015 0.00028 -0.00026 0.00092 233 4XY -0.00031 0.00063 -0.00071 0.00009 0.00052 234 4XZ 0.00020 -0.00080 0.00086 0.00011 -0.00112 235 4YZ -0.00019 -0.00013 0.00006 -0.00008 -0.00076 236 21 H 1S 0.00008 0.00037 0.00349 0.00271 0.00713 237 2S 0.00337 -0.00725 0.00047 -0.02239 -0.00181 238 22 H 1S -0.00003 0.00017 -0.00007 0.00020 0.00067 239 2S -0.00012 0.00132 -0.00105 0.00351 0.00185 240 23 H 1S -0.00002 0.00007 -0.00078 -0.00044 -0.00068 241 2S 0.00011 -0.00038 -0.00074 -0.00078 -0.00124 242 24 H 1S -0.00048 0.00153 -0.00149 0.00017 0.00272 243 2S -0.00102 0.00272 -0.00335 0.00107 0.00394 244 25 H 1S -0.00035 0.00042 -0.00066 -0.00093 0.00143 245 2S 0.00097 -0.00062 -0.00290 -0.00201 0.00202 246 26 O 1S -0.00368 0.00842 -0.00657 -0.00508 0.01073 247 2S 0.00707 -0.01633 0.01195 0.01104 -0.02039 248 2PX 0.00963 -0.01842 0.01896 0.00863 -0.02424 249 2PY 0.00445 -0.01514 0.01134 0.00577 -0.01445 250 2PZ -0.01101 0.02112 -0.02854 -0.01741 0.02092 251 3S 0.01643 -0.03718 0.04435 0.02636 -0.07080 252 3PX 0.01175 -0.02171 0.02178 0.00586 -0.02615 253 3PY 0.00440 -0.01331 0.00899 0.00295 -0.01605 254 3PZ -0.01068 0.01975 -0.02533 -0.01465 0.02549 255 4XX -0.00109 0.00198 -0.00085 -0.00072 0.00228 256 4YY -0.00023 0.00002 0.00004 0.00022 0.00067 257 4ZZ -0.00097 0.00209 -0.00448 -0.00120 0.00443 258 4XY -0.00035 0.00120 -0.00186 -0.00043 0.00180 259 4XZ 0.00126 -0.00288 0.00469 0.00248 -0.00453 260 4YZ -0.00027 0.00003 0.00091 0.00047 -0.00169 261 27 H 1S -0.00828 0.01572 -0.02260 -0.01068 0.02105 262 2S -0.00840 0.01735 -0.03058 -0.01204 0.03134 263 28 H 1S 0.00853 -0.01763 0.02726 0.00246 -0.01321 264 2S 0.01387 -0.02681 0.05695 -0.01434 -0.02128 21 22 23 24 25 21 3S 0.21111 22 3PX -0.02728 0.06619 23 3PY -0.05400 0.01807 0.04631 24 3PZ 0.04372 0.00515 0.01722 0.05936 25 4XX 0.00365 0.00022 -0.00104 0.00110 0.00195 26 4YY -0.00245 0.00556 0.00485 0.00540 -0.00154 27 4ZZ -0.00115 -0.00572 -0.00425 -0.00583 0.00026 28 4XY -0.00028 0.00113 0.00506 0.00423 -0.00016 29 4XZ -0.00937 0.00036 0.00053 -0.00392 -0.00071 30 4YZ -0.00404 0.00460 0.00377 0.00171 0.00121 31 3 C 1S 0.00441 -0.00454 0.00459 -0.00025 -0.00357 32 2S 0.00551 0.01279 -0.01135 0.00021 0.00517 33 2PX -0.08957 -0.03366 0.05353 0.00859 0.00363 34 2PY 0.08200 0.04503 -0.02946 -0.00342 0.01032 35 2PZ 0.02167 0.02114 -0.01046 0.02896 0.00213 36 3S -0.02179 0.00463 -0.00390 -0.01098 0.00294 37 3PX -0.00089 -0.02971 0.00819 0.00560 0.00066 38 3PY 0.02758 0.01156 -0.01590 -0.00461 0.00297 39 3PZ -0.00776 0.01811 -0.00178 0.01302 0.00380 40 4XX 0.00611 -0.00073 -0.00302 -0.00047 0.00062 41 4YY 0.00091 0.00226 0.00018 0.00126 -0.00054 42 4ZZ -0.00260 -0.00089 0.00140 0.00011 -0.00011 43 4XY -0.01017 -0.00331 0.00461 -0.00015 -0.00007 44 4XZ -0.00061 0.00001 -0.00080 -0.00141 -0.00038 45 4YZ 0.00448 0.00188 -0.00045 0.00169 0.00015 46 4 C 1S 0.00373 0.00577 -0.00013 -0.00149 -0.00114 47 2S -0.00425 -0.00976 -0.00021 0.00162 0.00254 48 2PX 0.05450 0.01963 -0.03302 0.00818 -0.00575 49 2PY -0.00317 -0.00475 -0.00166 0.00080 -0.00005 50 2PZ -0.01024 -0.00096 0.00665 0.00178 0.00583 51 3S -0.02599 -0.00162 0.00742 0.00066 0.00323 52 3PX 0.02258 0.00344 -0.01712 -0.00329 -0.00298 53 3PY 0.00819 -0.00980 -0.00325 0.00193 -0.00113 54 3PZ -0.00122 0.00642 0.00323 0.00665 0.00371 55 4XX 0.00026 0.00101 -0.00035 -0.00139 0.00019 56 4YY -0.00026 -0.00090 -0.00023 0.00046 -0.00037 57 4ZZ -0.00053 0.00028 0.00050 0.00086 0.00017 58 4XY -0.00458 -0.00264 0.00230 -0.00018 0.00014 59 4XZ 0.00142 -0.00052 -0.00091 -0.00108 -0.00042 60 4YZ 0.00152 0.00121 -0.00048 0.00015 -0.00008 61 5 C 1S -0.00664 -0.00397 0.00356 0.00012 0.00053 62 2S 0.01286 0.01010 -0.00705 -0.00157 -0.00106 63 2PX -0.02931 -0.01120 0.01682 -0.00744 0.00199 64 2PY 0.01993 0.00333 -0.01400 0.00347 -0.00124 65 2PZ 0.02162 0.00482 -0.01051 -0.00956 -0.00079 66 3S 0.01950 0.00715 -0.00583 0.00271 -0.00103 67 3PX -0.01850 -0.00373 0.00754 -0.00702 0.00122 68 3PY 0.01014 0.00665 -0.00472 0.00308 0.00042 69 3PZ 0.01686 -0.00070 -0.00864 -0.00887 -0.00096 70 4XX -0.00137 -0.00076 0.00085 0.00018 0.00006 71 4YY 0.00118 0.00062 -0.00070 0.00018 -0.00007 72 4ZZ -0.00049 -0.00027 0.00018 -0.00044 0.00007 73 4XY -0.00215 -0.00025 0.00111 -0.00005 0.00018 74 4XZ 0.00046 0.00023 -0.00017 0.00006 -0.00016 75 4YZ 0.00069 0.00018 -0.00052 0.00088 0.00015 76 6 C 1S -0.00018 -0.00069 0.00058 0.00038 -0.00003 77 2S 0.00341 0.00228 -0.00253 -0.00068 0.00009 78 2PX 0.00309 0.00059 0.00384 -0.00871 -0.00096 79 2PY 0.00048 0.00516 0.00292 -0.00847 -0.00051 80 2PZ 0.00177 -0.00436 -0.00267 -0.01357 -0.00168 81 3S 0.00114 0.00570 -0.00254 -0.00005 0.00065 82 3PX 0.00631 0.00043 0.00098 -0.00420 -0.00085 83 3PY -0.00346 0.00221 0.00252 -0.00316 -0.00013 84 3PZ 0.00052 -0.00262 0.00012 -0.01151 -0.00175 85 4XX 0.00097 0.00015 -0.00039 0.00047 0.00008 86 4YY 0.00029 0.00037 -0.00005 -0.00026 -0.00006 87 4ZZ -0.00075 -0.00029 0.00023 -0.00022 -0.00001 88 4XY -0.00163 -0.00065 0.00052 -0.00004 0.00004 89 4XZ 0.00019 0.00017 0.00008 0.00040 -0.00001 90 4YZ 0.00133 0.00023 -0.00050 -0.00035 -0.00001 91 7 C 1S -0.00697 -0.00304 0.00258 0.00070 -0.00041 92 2S 0.01431 0.00629 -0.00662 -0.00122 0.00077 93 2PX -0.03026 -0.01612 0.00384 0.00199 -0.00109 94 2PY 0.03234 0.01541 -0.00922 -0.00667 0.00109 95 2PZ -0.00261 0.00034 0.00188 -0.01275 -0.00056 96 3S 0.00774 0.00460 -0.00384 -0.00249 0.00056 97 3PX -0.01225 -0.00739 0.00372 0.00007 -0.00044 98 3PY 0.01546 0.00684 -0.00344 -0.00439 0.00053 99 3PZ -0.00553 -0.00210 0.00146 -0.01010 -0.00083 100 4XX 0.00188 0.00072 -0.00052 -0.00073 0.00001 101 4YY -0.00237 -0.00094 0.00076 0.00010 -0.00017 102 4ZZ -0.00035 -0.00002 0.00002 0.00061 0.00010 103 4XY -0.00130 -0.00082 0.00005 0.00004 -0.00001 104 4XZ -0.00028 -0.00042 0.00029 -0.00046 -0.00018 105 4YZ 0.00074 0.00048 -0.00022 -0.00038 0.00009 106 8 C 1S 0.00460 -0.00395 -0.00251 0.00252 0.00125 107 2S -0.00550 0.00681 0.00326 -0.00335 -0.00245 108 2PX 0.01133 0.00387 -0.00342 0.00195 0.00103 109 2PY -0.06313 -0.02498 0.01276 0.01104 -0.00503 110 2PZ -0.00280 0.00629 -0.00126 0.00105 0.00339 111 3S 0.00353 -0.00071 0.00068 -0.00049 -0.00334 112 3PX 0.00157 0.00451 -0.00411 0.00245 0.00087 113 3PY -0.03024 -0.00960 0.00496 0.00116 -0.00288 114 3PZ -0.00417 0.00143 -0.00140 0.00067 0.00207 115 4XX 0.00183 0.00086 -0.00017 -0.00079 0.00020 116 4YY -0.00122 -0.00039 -0.00025 0.00076 -0.00008 117 4ZZ -0.00019 -0.00038 0.00012 -0.00019 -0.00004 118 4XY -0.00421 -0.00143 0.00193 0.00070 0.00003 119 4XZ 0.00012 -0.00056 -0.00037 -0.00007 -0.00006 120 4YZ 0.00234 0.00150 -0.00072 0.00117 0.00028 121 9 H 1S -0.00153 0.00603 0.00286 -0.00476 0.00056 122 2S -0.01332 0.00700 0.00390 -0.00620 0.00093 123 10 H 1S -0.01573 -0.00697 0.00419 0.00182 -0.00072 124 2S -0.01604 -0.00753 0.00561 0.00211 -0.00104 125 11 H 1S 0.00679 0.00150 -0.00185 0.00050 -0.00006 126 2S 0.00754 0.00275 -0.00238 0.00025 -0.00007 127 12 H 1S -0.01459 -0.00415 0.00769 -0.00128 0.00092 128 2S -0.01332 -0.00800 0.00771 -0.00058 0.00091 129 13 H 1S -0.00210 -0.00699 -0.00223 0.00211 -0.00073 130 2S -0.00515 -0.00162 0.00072 0.00503 -0.00034 131 14 O 1S 0.02244 -0.00038 0.00708 -0.00476 0.00561 132 2S -0.05571 0.00241 -0.01559 0.01134 -0.01243 133 2PX 0.03452 0.10706 0.03126 0.03856 0.00121 134 2PY -0.08455 0.03887 0.04929 0.06253 0.01702 135 2PZ 0.02060 0.04661 0.09565 0.10757 -0.01179 136 3S -0.07921 -0.00016 -0.02775 0.01153 -0.00897 137 3PX 0.03214 0.06781 0.02423 0.03357 0.00096 138 3PY -0.04678 0.03019 0.03622 0.04510 0.00975 139 3PZ 0.00369 0.03943 0.06928 0.07386 -0.00746 140 4XX -0.00330 0.00046 0.00087 -0.00037 0.00043 141 4YY 0.00492 -0.00374 -0.00593 -0.00740 -0.00110 142 4ZZ -0.00075 0.00403 0.00685 0.00762 -0.00011 143 4XY -0.00076 -0.00760 -0.00258 -0.00283 -0.00003 144 4XZ 0.00156 0.00417 0.00124 0.00167 -0.00002 145 4YZ -0.00407 -0.00186 -0.00367 -0.00532 0.00103 146 15 C 1S 0.02331 -0.00943 -0.01465 0.00635 -0.00063 147 2S -0.02354 0.01245 0.01423 -0.00553 0.00099 148 2PX -0.03937 0.02124 0.02233 -0.02876 0.00342 149 2PY -0.00471 0.01462 -0.00996 0.00995 0.00189 150 2PZ 0.00063 0.00372 -0.00306 0.01218 0.00108 151 3S -0.02352 0.02379 0.03247 0.00161 -0.00087 152 3PX -0.05161 0.02264 0.02383 -0.02730 0.00030 153 3PY -0.00007 0.00868 -0.00273 0.00970 0.00087 154 3PZ -0.00397 -0.00245 -0.00714 0.00932 -0.00041 155 4XX 0.00366 -0.00225 -0.00160 0.00154 0.00027 156 4YY -0.00232 0.00129 0.00044 -0.00084 -0.00001 157 4ZZ -0.00085 0.00073 0.00093 -0.00086 -0.00015 158 4XY 0.00053 -0.00044 0.00032 -0.00039 0.00027 159 4XZ -0.00280 0.00157 0.00061 -0.00030 0.00007 160 4YZ -0.00340 0.00200 0.00010 -0.00165 0.00017 161 16 C 1S -0.00247 -0.00097 0.00012 0.00112 0.00030 162 2S 0.00371 -0.00045 0.00093 -0.00099 -0.00052 163 2PX -0.02973 0.00927 0.01325 -0.01395 -0.00050 164 2PY 0.01931 -0.01739 0.00482 0.00955 -0.00092 165 2PZ 0.02644 -0.00927 -0.00444 0.01045 -0.00004 166 3S 0.00359 -0.00140 -0.00004 -0.00411 0.00019 167 3PX -0.02117 0.01017 0.00514 -0.01062 -0.00051 168 3PY 0.01421 -0.00925 -0.00176 0.00717 -0.00011 169 3PZ 0.03085 -0.01123 -0.00431 0.01206 -0.00044 170 4XX -0.00036 0.00023 0.00066 -0.00095 0.00010 171 4YY 0.00039 -0.00030 -0.00033 0.00112 -0.00005 172 4ZZ -0.00037 0.00029 -0.00023 -0.00029 0.00000 173 4XY -0.00154 0.00065 0.00090 -0.00095 0.00005 174 4XZ 0.00086 0.00001 -0.00078 0.00068 0.00000 175 4YZ 0.00000 0.00041 -0.00074 0.00086 0.00010 176 17 C 1S 0.00078 -0.00111 0.00033 0.00005 -0.00011 177 2S -0.00194 0.00188 -0.00004 -0.00018 0.00030 178 2PX -0.00635 0.00905 -0.01263 0.00642 0.00032 179 2PY 0.00294 0.00126 0.00156 -0.00521 0.00040 180 2PZ 0.00624 -0.00030 0.00171 -0.00583 0.00018 181 3S 0.00024 0.00170 -0.00041 0.00176 -0.00035 182 3PX -0.00408 0.00586 -0.00876 0.00760 -0.00002 183 3PY 0.00358 -0.00006 0.00300 -0.00419 -0.00018 184 3PZ 0.00076 0.00129 0.00414 -0.00632 0.00018 185 4XX -0.00230 0.00110 0.00048 -0.00131 0.00000 186 4YY 0.00073 -0.00069 0.00027 0.00007 -0.00003 187 4ZZ 0.00184 -0.00058 -0.00073 0.00130 0.00001 188 4XY 0.00058 -0.00021 -0.00045 0.00054 -0.00003 189 4XZ -0.00034 0.00031 0.00003 -0.00041 0.00000 190 4YZ 0.00128 -0.00034 -0.00066 0.00053 0.00001 191 18 C 1S 0.00007 -0.00047 -0.00068 -0.00011 -0.00002 192 2S 0.00029 0.00106 0.00172 0.00002 0.00004 193 2PX 0.01656 -0.00413 -0.00790 0.01605 0.00005 194 2PY -0.00791 0.00607 0.00610 -0.00995 -0.00002 195 2PZ -0.01608 0.00289 0.01072 -0.01341 0.00006 196 3S -0.00580 0.00340 0.00075 -0.00164 0.00039 197 3PX 0.01517 -0.00457 -0.00812 0.01455 0.00016 198 3PY -0.01059 0.00421 0.00634 -0.00927 0.00005 199 3PZ -0.01413 0.00576 0.00928 -0.01156 0.00012 200 4XX 0.00018 0.00003 -0.00048 0.00039 0.00001 201 4YY -0.00072 0.00025 -0.00016 -0.00008 -0.00001 202 4ZZ 0.00051 -0.00030 0.00049 -0.00034 0.00001 203 4XY 0.00067 -0.00023 0.00008 -0.00016 0.00001 204 4XZ -0.00065 0.00023 -0.00027 0.00004 0.00001 205 4YZ -0.00037 0.00004 -0.00018 -0.00027 0.00002 206 19 C 1S 0.00077 0.00019 0.00004 0.00093 -0.00009 207 2S -0.00138 0.00028 -0.00049 -0.00155 0.00022 208 2PX 0.01004 -0.00550 0.00155 0.00167 0.00037 209 2PY -0.01358 -0.00027 -0.00090 -0.00375 0.00018 210 2PZ -0.01392 0.00279 -0.00014 -0.00479 0.00021 211 3S -0.00127 -0.00499 -0.00466 -0.00544 -0.00030 212 3PX 0.01028 -0.00528 -0.00013 0.00209 0.00001 213 3PY -0.01491 -0.00076 -0.00448 -0.00657 0.00013 214 3PZ -0.00972 0.00122 0.00025 -0.00461 -0.00016 215 4XX -0.00098 0.00035 0.00111 -0.00136 0.00000 216 4YY 0.00107 -0.00017 -0.00056 0.00116 0.00002 217 4ZZ -0.00001 -0.00026 -0.00058 0.00022 -0.00003 218 4XY -0.00082 0.00019 0.00053 -0.00066 0.00001 219 4XZ 0.00041 -0.00043 -0.00050 0.00041 -0.00003 220 4YZ 0.00044 -0.00042 -0.00069 0.00084 0.00001 221 20 C 1S 0.00666 -0.00187 -0.00537 -0.00119 0.00011 222 2S -0.00405 0.00193 0.00996 0.00317 -0.00033 223 2PX -0.00554 0.00780 0.01814 -0.01304 -0.00030 224 2PY 0.00489 0.00233 0.00254 0.01375 0.00028 225 2PZ 0.00648 -0.00142 -0.01446 0.01484 -0.00093 226 3S -0.00893 0.00395 0.00896 0.00289 -0.00157 227 3PX -0.00608 -0.00240 0.00673 -0.01681 -0.00081 228 3PY 0.01398 0.00003 0.00226 0.01445 -0.00047 229 3PZ -0.00370 -0.00756 -0.01712 0.00543 -0.00077 230 4XX -0.00123 0.00018 -0.00003 -0.00110 0.00010 231 4YY 0.00028 0.00017 0.00151 0.00010 0.00000 232 4ZZ 0.00108 -0.00005 -0.00073 0.00151 0.00000 233 4XY 0.00070 -0.00031 -0.00009 0.00079 0.00001 234 4XZ -0.00144 0.00064 0.00047 -0.00083 0.00005 235 4YZ 0.00045 0.00010 -0.00054 -0.00006 0.00009 236 21 H 1S -0.00013 0.00149 0.01075 0.00290 -0.00001 237 2S -0.00718 -0.00415 -0.00039 -0.00418 0.00071 238 22 H 1S 0.00097 -0.00058 -0.00134 0.00044 -0.00014 239 2S 0.00262 -0.00101 -0.00049 0.00125 -0.00036 240 23 H 1S -0.00025 -0.00025 -0.00150 -0.00018 0.00006 241 2S -0.00093 0.00000 -0.00171 -0.00040 0.00013 242 24 H 1S 0.00064 -0.00248 0.00214 0.00063 -0.00021 243 2S 0.00229 -0.00331 0.00175 0.00076 -0.00038 244 25 H 1S 0.00385 0.00065 -0.00096 -0.00062 -0.00016 245 2S -0.00228 0.00203 -0.00237 -0.00099 0.00014 246 26 O 1S 0.01015 -0.00358 0.00115 0.00178 0.00081 247 2S -0.02022 0.00766 -0.00117 -0.00420 -0.00169 248 2PX -0.08853 0.06127 0.01338 -0.04234 -0.00086 249 2PY 0.04280 -0.02717 0.00969 -0.00116 -0.00207 250 2PZ 0.04124 -0.00296 -0.00809 0.01148 0.00443 251 3S -0.06769 0.02431 0.00126 -0.02420 -0.00463 252 3PX -0.06952 0.04720 0.01002 -0.03402 -0.00041 253 3PY 0.03302 -0.02282 0.00772 -0.00048 -0.00170 254 3PZ 0.03182 0.00012 -0.00363 0.00913 0.00374 255 4XX 0.00699 -0.00361 -0.00109 0.00360 0.00016 256 4YY -0.00013 0.00085 0.00042 -0.00077 -0.00002 257 4ZZ 0.00281 -0.00116 -0.00028 0.00149 0.00021 258 4XY -0.00218 0.00175 -0.00019 -0.00012 0.00011 259 4XZ -0.00583 0.00188 0.00122 -0.00228 -0.00040 260 4YZ -0.00022 0.00065 -0.00004 -0.00024 0.00000 261 27 H 1S 0.05268 -0.02630 -0.00939 0.02290 0.00204 262 2S 0.03823 -0.01793 -0.00616 0.01732 0.00209 263 28 H 1S -0.05158 0.03403 -0.00275 -0.02571 0.00232 264 2S -0.05319 0.03437 0.00173 -0.02279 0.00065 26 27 28 29 30 26 4YY 0.00349 27 4ZZ -0.00234 0.00225 28 4XY -0.00073 0.00081 0.00425 29 4XZ 0.00095 -0.00063 -0.00205 0.00232 30 4YZ 0.00020 -0.00090 -0.00080 -0.00021 0.00285 31 3 C 1S -0.00328 0.00272 0.00781 -0.00064 -0.00260 32 2S 0.00475 -0.00596 -0.01392 0.00134 0.00510 33 2PX -0.01151 0.00783 0.01485 -0.00245 -0.00854 34 2PY -0.00316 -0.00557 -0.01421 0.00233 0.00539 35 2PZ -0.00044 -0.00235 -0.00500 0.00993 -0.00895 36 3S 0.00822 -0.00862 -0.02193 0.00970 0.00697 37 3PX -0.00840 0.00632 0.00908 -0.00137 -0.01076 38 3PY 0.00082 -0.00371 -0.01179 0.00570 0.00063 39 3PZ -0.00312 -0.00047 -0.00384 0.00757 -0.00544 40 4XX -0.00048 0.00002 -0.00067 -0.00006 0.00000 41 4YY 0.00101 -0.00055 -0.00012 0.00017 -0.00011 42 4ZZ -0.00019 0.00026 0.00051 -0.00018 -0.00005 43 4XY -0.00040 0.00046 0.00107 -0.00015 -0.00010 44 4XZ 0.00003 0.00013 -0.00001 0.00043 -0.00041 45 4YZ 0.00027 -0.00039 -0.00006 -0.00024 0.00053 46 4 C 1S 0.00139 -0.00033 -0.00008 0.00053 -0.00032 47 2S -0.00267 0.00072 0.00015 -0.00118 0.00050 48 2PX 0.00411 -0.00155 -0.00133 0.00595 -0.00370 49 2PY 0.00085 -0.00115 -0.00212 0.00266 -0.00107 50 2PZ -0.00633 0.00126 -0.00071 0.00330 -0.00526 51 3S -0.00134 -0.00062 -0.00178 -0.00025 0.00405 52 3PX 0.00390 -0.00302 -0.00761 0.00742 -0.00236 53 3PY -0.00047 0.00060 0.00122 0.00123 -0.00318 54 3PZ -0.00389 0.00066 0.00130 0.00157 -0.00315 55 4XX 0.00007 -0.00013 -0.00027 -0.00030 0.00054 56 4YY 0.00021 0.00003 0.00028 0.00002 -0.00012 57 4ZZ -0.00016 -0.00001 -0.00011 0.00031 -0.00036 58 4XY -0.00012 0.00014 0.00018 -0.00027 0.00014 59 4XZ 0.00023 0.00008 0.00025 -0.00017 0.00012 60 4YZ 0.00019 -0.00013 -0.00017 -0.00002 0.00020 61 5 C 1S -0.00047 0.00021 0.00019 -0.00029 0.00002 62 2S 0.00101 -0.00061 -0.00074 0.00072 0.00010 63 2PX -0.00133 0.00027 0.00067 -0.00133 0.00059 64 2PY 0.00068 -0.00039 -0.00011 0.00054 0.00032 65 2PZ 0.00105 -0.00071 0.00063 -0.00017 0.00091 66 3S -0.00080 0.00120 0.00391 -0.00180 -0.00144 67 3PX -0.00027 -0.00035 -0.00094 -0.00037 0.00145 68 3PY -0.00058 0.00036 0.00212 -0.00169 0.00081 69 3PZ 0.00053 -0.00003 0.00102 -0.00059 0.00055 70 4XX -0.00012 0.00010 0.00020 -0.00027 0.00011 71 4YY 0.00007 -0.00005 -0.00013 0.00023 -0.00015 72 4ZZ -0.00005 0.00001 -0.00001 -0.00001 0.00001 73 4XY -0.00014 0.00001 -0.00007 0.00004 -0.00008 74 4XZ 0.00026 -0.00009 -0.00006 -0.00008 0.00021 75 4YZ -0.00026 0.00008 -0.00008 0.00031 -0.00038 76 6 C 1S -0.00007 0.00013 0.00021 -0.00010 -0.00006 77 2S 0.00015 -0.00024 -0.00041 0.00014 0.00007 78 2PX 0.00145 -0.00009 0.00079 -0.00143 0.00165 79 2PY 0.00115 -0.00051 -0.00022 -0.00044 0.00088 80 2PZ 0.00262 -0.00080 0.00134 -0.00370 0.00447 81 3S 0.00057 -0.00085 -0.00153 0.00026 0.00104 82 3PX 0.00092 0.00015 0.00188 -0.00202 0.00154 83 3PY 0.00094 -0.00052 0.00013 -0.00081 0.00116 84 3PZ 0.00301 -0.00111 0.00076 -0.00322 0.00440 85 4XX -0.00009 0.00000 0.00000 0.00002 -0.00001 86 4YY 0.00009 -0.00003 0.00002 0.00001 0.00001 87 4ZZ 0.00000 0.00003 -0.00002 -0.00004 0.00001 88 4XY 0.00000 -0.00004 0.00000 -0.00002 0.00001 89 4XZ 0.00001 -0.00001 0.00002 0.00005 -0.00005 90 4YZ 0.00001 -0.00002 0.00004 -0.00002 0.00005 91 7 C 1S 0.00037 0.00007 0.00036 -0.00001 -0.00031 92 2S -0.00083 -0.00026 -0.00088 0.00005 0.00060 93 2PX 0.00115 0.00013 0.00067 -0.00063 -0.00034 94 2PY -0.00133 0.00013 -0.00069 -0.00025 0.00094 95 2PZ 0.00062 0.00033 -0.00047 -0.00092 0.00090 96 3S -0.00097 0.00010 -0.00025 -0.00011 0.00132 97 3PX 0.00022 0.00047 0.00155 -0.00123 -0.00027 98 3PY -0.00079 0.00023 -0.00009 -0.00032 0.00108 99 3PZ 0.00114 0.00002 -0.00069 -0.00098 0.00134 100 4XX 0.00005 -0.00006 0.00004 -0.00023 0.00036 101 4YY 0.00012 0.00005 0.00013 0.00004 -0.00016 102 4ZZ -0.00014 0.00004 -0.00009 0.00019 -0.00024 103 4XY 0.00005 -0.00003 -0.00004 -0.00002 0.00000 104 4XZ 0.00027 -0.00007 0.00014 -0.00024 0.00028 105 4YZ -0.00014 0.00005 -0.00008 0.00011 -0.00013 106 8 C 1S -0.00107 0.00003 -0.00047 -0.00035 0.00058 107 2S 0.00237 0.00008 0.00114 0.00057 -0.00146 108 2PX -0.00212 0.00098 -0.00074 0.00197 -0.00251 109 2PY 0.00580 -0.00025 0.00080 0.00234 -0.00404 110 2PZ -0.00484 0.00138 -0.00241 0.00436 -0.00582 111 3S 0.00239 0.00005 0.00140 0.00088 -0.00396 112 3PX -0.00037 -0.00024 -0.00256 0.00201 -0.00167 113 3PY 0.00221 0.00021 0.00020 0.00162 -0.00259 114 3PZ -0.00391 0.00173 -0.00128 0.00309 -0.00471 115 4XX -0.00037 0.00014 0.00018 -0.00011 -0.00008 116 4YY 0.00029 -0.00012 -0.00036 0.00028 -0.00020 117 4ZZ -0.00002 0.00005 0.00016 -0.00024 0.00019 118 4XY -0.00022 0.00020 0.00042 0.00001 -0.00038 119 4XZ 0.00014 -0.00007 -0.00020 0.00008 0.00003 120 4YZ -0.00031 -0.00004 -0.00018 0.00040 -0.00038 121 9 H 1S -0.00102 0.00040 0.00106 -0.00060 -0.00030 122 2S -0.00109 0.00024 0.00016 -0.00056 0.00049 123 10 H 1S 0.00076 -0.00006 0.00030 0.00006 -0.00039 124 2S 0.00082 0.00021 0.00107 -0.00010 -0.00067 125 11 H 1S -0.00001 0.00012 0.00005 0.00005 0.00001 126 2S 0.00007 -0.00002 -0.00018 0.00015 0.00012 127 12 H 1S -0.00096 0.00031 0.00034 -0.00066 0.00007 128 2S -0.00136 0.00069 0.00084 -0.00081 -0.00038 129 13 H 1S 0.00057 -0.00017 0.00023 0.00044 -0.00037 130 2S -0.00015 0.00081 0.00312 -0.00161 -0.00015 131 14 O 1S -0.00779 0.00018 -0.00102 -0.00156 0.00815 132 2S 0.01462 -0.00146 0.00270 0.00349 -0.01606 133 2PX -0.00653 0.00613 0.04390 -0.02698 -0.00299 134 2PY 0.00381 -0.01020 -0.00517 -0.00145 0.02937 135 2PZ 0.03712 -0.03105 -0.00392 0.00579 0.00804 136 3S 0.01154 0.00098 0.00039 0.00410 -0.01332 137 3PX -0.00576 0.00547 0.03456 -0.02161 -0.00281 138 3PY 0.00562 -0.00904 -0.00358 -0.00094 0.01919 139 3PZ 0.02686 -0.02280 -0.00397 0.00461 0.00836 140 4XX -0.00031 0.00012 0.00006 -0.00002 0.00048 141 4YY -0.00059 0.00107 -0.00012 0.00032 -0.00218 142 4ZZ 0.00167 -0.00157 0.00051 -0.00021 0.00091 143 4XY -0.00031 0.00028 -0.00166 0.00099 -0.00027 144 4XZ 0.00019 -0.00018 0.00092 -0.00054 0.00004 145 4YZ -0.00181 0.00130 -0.00033 -0.00005 0.00051 146 15 C 1S -0.00151 0.00083 -0.00102 -0.00087 -0.00003 147 2S 0.00211 -0.00251 0.00142 0.00181 -0.00018 148 2PX 0.00329 -0.00656 0.00542 0.00220 0.00010 149 2PY 0.00166 -0.00348 0.00143 0.00123 -0.00039 150 2PZ 0.00149 -0.00221 0.00037 0.00048 -0.00093 151 3S 0.00496 -0.00468 0.00704 0.00041 0.00092 152 3PX 0.00517 -0.00602 0.00125 0.00434 0.00144 153 3PY 0.00044 -0.00160 0.00374 -0.00016 -0.00116 154 3PZ 0.00247 -0.00213 -0.00390 0.00299 -0.00016 155 4XX -0.00030 0.00012 0.00043 -0.00036 -0.00029 156 4YY -0.00001 0.00005 -0.00024 0.00003 0.00013 157 4ZZ 0.00028 -0.00016 -0.00020 0.00030 0.00002 158 4XY -0.00011 -0.00010 0.00030 -0.00015 -0.00007 159 4XZ 0.00027 -0.00026 0.00020 0.00011 -0.00007 160 4YZ 0.00021 -0.00034 -0.00006 0.00017 0.00010 161 16 C 1S 0.00036 -0.00041 0.00031 0.00014 -0.00006 162 2S -0.00071 0.00101 -0.00058 -0.00038 0.00011 163 2PX 0.00073 0.00019 -0.00078 0.00092 0.00089 164 2PY -0.00153 0.00292 -0.00084 -0.00152 -0.00042 165 2PZ -0.00076 0.00054 0.00012 -0.00048 -0.00056 166 3S -0.00131 0.00098 0.00095 -0.00038 -0.00049 167 3PX -0.00002 0.00055 -0.00044 0.00019 0.00032 168 3PY -0.00182 0.00201 0.00051 -0.00158 -0.00083 169 3PZ -0.00107 0.00123 0.00037 -0.00129 -0.00060 170 4XX 0.00004 -0.00016 0.00017 0.00002 0.00002 171 4YY -0.00005 0.00014 -0.00010 -0.00004 -0.00005 172 4ZZ -0.00005 0.00005 -0.00004 0.00000 0.00003 173 4XY 0.00012 -0.00017 0.00012 0.00008 0.00000 174 4XZ -0.00002 0.00000 -0.00002 -0.00001 -0.00003 175 4YZ 0.00008 -0.00015 0.00007 0.00000 -0.00003 176 17 C 1S -0.00015 0.00030 -0.00014 -0.00009 0.00002 177 2S 0.00029 -0.00067 0.00036 0.00018 -0.00002 178 2PX 0.00018 -0.00045 -0.00003 0.00001 -0.00024 179 2PY 0.00028 -0.00116 0.00068 0.00031 0.00009 180 2PZ 0.00034 -0.00109 0.00067 0.00026 0.00005 181 3S 0.00010 -0.00010 -0.00011 0.00005 -0.00030 182 3PX -0.00006 0.00016 0.00005 -0.00039 -0.00037 183 3PY 0.00028 -0.00058 0.00037 0.00022 0.00004 184 3PZ 0.00016 -0.00072 0.00078 0.00007 -0.00001 185 4XX 0.00010 -0.00011 -0.00003 0.00010 0.00007 186 4YY -0.00006 0.00010 -0.00002 -0.00006 -0.00001 187 4ZZ -0.00006 0.00006 0.00001 -0.00006 -0.00005 188 4XY -0.00005 0.00008 -0.00003 -0.00006 -0.00002 189 4XZ 0.00004 -0.00008 0.00001 0.00005 0.00001 190 4YZ -0.00005 0.00002 0.00003 -0.00006 -0.00003 191 18 C 1S -0.00004 0.00006 -0.00007 -0.00003 -0.00001 192 2S 0.00004 -0.00007 0.00012 0.00006 0.00003 193 2PX -0.00079 0.00105 -0.00002 -0.00083 -0.00054 194 2PY 0.00049 -0.00078 0.00021 0.00058 0.00036 195 2PZ 0.00071 -0.00092 -0.00001 0.00087 0.00049 196 3S 0.00071 -0.00096 -0.00072 0.00088 0.00040 197 3PX -0.00071 0.00089 0.00019 -0.00095 -0.00046 198 3PY 0.00093 -0.00108 -0.00055 0.00108 0.00065 199 3PZ 0.00073 -0.00099 0.00067 0.00036 0.00054 200 4XX -0.00001 0.00000 -0.00002 -0.00001 -0.00001 201 4YY 0.00000 0.00002 -0.00003 -0.00001 0.00000 202 4ZZ 0.00001 -0.00004 0.00004 0.00001 0.00001 203 4XY 0.00001 -0.00004 0.00001 0.00001 0.00000 204 4XZ 0.00001 -0.00001 0.00000 -0.00001 -0.00001 205 4YZ 0.00001 -0.00003 0.00001 -0.00001 0.00000 206 19 C 1S -0.00008 0.00015 0.00002 -0.00003 0.00007 207 2S 0.00014 -0.00040 0.00012 -0.00005 -0.00005 208 2PX 0.00022 -0.00059 0.00021 0.00003 -0.00010 209 2PY 0.00017 -0.00025 -0.00003 -0.00003 -0.00010 210 2PZ 0.00020 -0.00033 0.00006 -0.00004 -0.00013 211 3S -0.00059 0.00045 -0.00212 0.00172 -0.00100 212 3PX 0.00020 -0.00040 -0.00092 0.00091 -0.00022 213 3PY 0.00050 -0.00056 -0.00262 0.00183 0.00014 214 3PZ -0.00033 0.00035 0.00035 0.00010 -0.00069 215 4XX 0.00010 -0.00012 0.00000 0.00011 0.00007 216 4YY -0.00007 0.00008 0.00002 -0.00008 -0.00004 217 4ZZ -0.00006 0.00009 -0.00004 -0.00004 -0.00003 218 4XY 0.00004 -0.00006 0.00000 0.00006 0.00001 219 4XZ -0.00004 0.00007 -0.00005 -0.00002 -0.00004 220 4YZ -0.00005 0.00007 -0.00001 -0.00006 -0.00005 221 20 C 1S -0.00033 -0.00035 -0.00020 -0.00019 -0.00026 222 2S 0.00026 0.00044 0.00058 0.00000 0.00035 223 2PX 0.00110 -0.00101 0.00045 0.00160 0.00115 224 2PY -0.00045 0.00065 0.00107 -0.00096 -0.00013 225 2PZ -0.00094 0.00202 -0.00107 -0.00063 -0.00049 226 3S 0.00255 -0.00088 -0.00123 0.00090 0.00091 227 3PX 0.00063 -0.00030 -0.00353 0.00352 0.00014 228 3PY -0.00120 0.00162 0.00301 -0.00242 -0.00102 229 3PZ 0.00006 0.00087 -0.00573 0.00256 -0.00015 230 4XX 0.00001 -0.00010 0.00007 0.00002 -0.00002 231 4YY -0.00002 0.00006 0.00011 -0.00007 0.00008 232 4ZZ 0.00001 0.00001 -0.00010 -0.00001 0.00002 233 4XY -0.00004 0.00004 0.00002 -0.00007 -0.00004 234 4XZ 0.00012 -0.00018 0.00003 0.00012 0.00004 235 4YZ 0.00005 -0.00016 0.00006 -0.00001 -0.00002 236 21 H 1S -0.00002 0.00040 0.00058 -0.00009 0.00033 237 2S -0.00043 0.00046 -0.00369 0.00209 0.00079 238 22 H 1S -0.00016 0.00026 -0.00016 -0.00002 0.00001 239 2S -0.00034 0.00060 0.00029 -0.00028 -0.00022 240 23 H 1S 0.00005 -0.00010 0.00004 -0.00005 -0.00002 241 2S 0.00014 -0.00026 0.00012 -0.00005 -0.00001 242 24 H 1S -0.00015 0.00049 -0.00018 -0.00018 0.00000 243 2S -0.00034 0.00082 -0.00025 -0.00034 -0.00003 244 25 H 1S -0.00039 0.00036 -0.00031 0.00002 0.00011 245 2S -0.00062 0.00044 -0.00036 -0.00013 0.00022 246 26 O 1S -0.00075 -0.00068 0.00050 -0.00057 0.00058 247 2S 0.00138 0.00147 -0.00038 0.00079 -0.00121 248 2PX -0.00020 -0.00108 -0.00127 0.00369 0.00118 249 2PY 0.00063 0.00235 0.00101 0.00118 -0.00276 250 2PZ -0.00282 -0.00470 0.00085 0.00013 0.00394 251 3S 0.00497 -0.00078 -0.00687 0.00715 -0.00045 252 3PX -0.00030 -0.00085 -0.00115 0.00327 0.00096 253 3PY 0.00119 0.00079 0.00043 0.00218 -0.00224 254 3PZ -0.00242 -0.00305 0.00267 -0.00142 0.00246 255 4XX 0.00005 -0.00009 0.00019 -0.00032 0.00001 256 4YY -0.00014 0.00020 0.00015 -0.00020 0.00002 257 4ZZ -0.00024 0.00022 0.00061 -0.00057 -0.00013 258 4XY -0.00013 -0.00009 0.00012 -0.00009 0.00010 259 4XZ 0.00042 0.00013 -0.00022 0.00023 -0.00022 260 4YZ 0.00011 -0.00034 -0.00007 0.00027 0.00010 261 27 H 1S -0.00131 -0.00072 0.00131 -0.00176 0.00052 262 2S -0.00235 0.00035 0.00226 -0.00242 -0.00011 263 28 H 1S -0.00264 0.00246 -0.00538 -0.00245 0.00442 264 2S 0.00128 -0.00089 -0.00794 0.00185 0.00579 31 32 33 34 35 31 3 C 1S 2.05950 32 2S -0.09484 0.29673 33 2PX -0.00389 0.00895 0.37974 34 2PY 0.00258 -0.00551 0.00451 0.39381 35 2PZ 0.00111 -0.00285 -0.02652 -0.02284 0.33383 36 3S -0.14847 0.22826 -0.02367 0.03120 0.00760 37 3PX 0.01235 -0.02665 0.17776 -0.00652 0.04272 38 3PY -0.01047 0.02173 -0.00747 0.15420 0.03206 39 3PZ -0.00287 0.00697 0.03280 0.02300 0.22106 40 4XX -0.00582 0.00465 0.00429 0.01565 -0.00268 41 4YY -0.00676 0.00711 -0.01048 -0.01291 0.00685 42 4ZZ -0.00038 -0.00757 0.00332 -0.00020 -0.00345 43 4XY 0.00069 -0.00122 0.01730 -0.01105 -0.00577 44 4XZ 0.00285 -0.00667 -0.00552 -0.00431 0.00731 45 4YZ 0.00156 -0.00375 -0.00634 0.00707 -0.00381 46 4 C 1S 0.01645 -0.03224 -0.06214 -0.02433 0.03282 47 2S -0.03236 0.05766 0.12387 0.04988 -0.06650 48 2PX 0.06443 -0.12954 -0.19082 -0.07410 0.17792 49 2PY 0.02214 -0.04565 -0.07298 -0.00947 0.07412 50 2PZ -0.03281 0.06599 0.17319 0.07213 0.08944 51 3S -0.01329 0.04450 0.08090 0.04622 -0.05774 52 3PX 0.00875 -0.02548 -0.07800 -0.00709 0.09502 53 3PY 0.01549 -0.03877 -0.01756 -0.02228 0.04673 54 3PZ -0.00826 0.02119 0.08679 0.03605 0.07880 55 4XX -0.00490 0.00801 0.00280 0.00658 -0.01241 56 4YY 0.00208 -0.00569 -0.00675 -0.00841 0.00243 57 4ZZ -0.00031 -0.00002 0.00320 0.00144 0.00985 58 4XY -0.00378 0.00749 0.00899 -0.00460 -0.00808 59 4XZ 0.00425 -0.00762 -0.01086 -0.00590 -0.00348 60 4YZ 0.00146 -0.00253 -0.00568 0.00289 -0.00205 61 5 C 1S -0.00354 0.00731 0.01240 0.00061 -0.00559 62 2S 0.00725 -0.01439 -0.02950 -0.00051 0.01278 63 2PX -0.01286 0.02958 0.03648 0.00315 -0.02242 64 2PY 0.00576 -0.01320 -0.01751 0.00106 0.00480 65 2PZ 0.00469 -0.01026 -0.01595 -0.00502 -0.00552 66 3S 0.01419 -0.03559 -0.01875 -0.01024 0.01267 67 3PX -0.01120 0.02844 0.01920 0.00596 -0.02335 68 3PY 0.00391 -0.00545 -0.00628 0.00186 -0.00468 69 3PZ 0.00488 -0.01239 -0.01572 -0.01026 -0.01658 70 4XX -0.00117 0.00289 0.00576 0.00075 -0.00698 71 4YY 0.00163 -0.00316 -0.00465 -0.00121 0.00610 72 4ZZ -0.00030 0.00084 0.00135 0.00076 -0.00017 73 4XY -0.00066 0.00148 0.00218 0.00171 0.00152 74 4XZ 0.00066 -0.00158 -0.00588 -0.00173 -0.00278 75 4YZ -0.00018 0.00026 0.00438 0.00177 0.00780 76 6 C 1S -0.00273 0.00490 0.00536 -0.00474 -0.00148 77 2S 0.00505 -0.01053 -0.01077 0.00947 0.00304 78 2PX -0.00493 0.00936 -0.01303 -0.02726 -0.03449 79 2PY 0.00435 -0.00801 -0.02820 -0.00922 -0.00842 80 2PZ 0.00174 -0.00279 -0.03356 -0.00897 -0.09251 81 3S 0.00524 -0.00186 -0.02125 0.01915 0.00490 82 3PX -0.00056 -0.00302 -0.01261 -0.02181 -0.03613 83 3PY 0.00126 0.00144 -0.01858 -0.00669 -0.01307 84 3PZ 0.00033 0.00071 -0.03615 -0.01173 -0.09059 85 4XX 0.00005 -0.00025 0.00106 0.00146 -0.00016 86 4YY -0.00007 0.00014 -0.00125 -0.00148 0.00059 87 4ZZ -0.00020 0.00022 0.00007 0.00011 -0.00044 88 4XY -0.00036 0.00097 0.00051 0.00003 -0.00028 89 4XZ -0.00001 -0.00007 -0.00016 -0.00066 0.00095 90 4YZ 0.00015 -0.00044 -0.00009 0.00014 -0.00068 91 7 C 1S -0.00342 0.00719 0.00257 -0.01318 0.00215 92 2S 0.00731 -0.01482 -0.00539 0.03097 -0.00459 93 2PX -0.00766 0.01784 0.00388 -0.02529 -0.00147 94 2PY 0.01233 -0.02829 -0.00511 0.03924 -0.01022 95 2PZ 0.00039 -0.00088 -0.00811 0.00089 -0.01195 96 3S 0.01037 -0.02835 -0.01238 0.02345 -0.00742 97 3PX -0.00344 0.00681 0.00878 -0.01473 -0.01036 98 3PY 0.00976 -0.02588 -0.00474 0.02550 -0.01325 99 3PZ -0.00066 0.00305 -0.01605 -0.00382 -0.02219 100 4XX 0.00150 -0.00291 -0.00202 0.00424 -0.00778 101 4YY -0.00154 0.00369 0.00021 -0.00878 0.00323 102 4ZZ 0.00017 -0.00021 0.00198 0.00203 0.00494 103 4XY 0.00017 -0.00027 -0.00049 0.00200 -0.00043 104 4XZ -0.00074 0.00150 -0.00326 -0.00463 -0.00637 105 4YZ 0.00026 -0.00065 0.00177 0.00210 0.00354 106 8 C 1S 0.01642 -0.03223 0.00929 0.07128 -0.02016 107 2S -0.03236 0.05784 -0.01907 -0.14164 0.04214 108 2PX -0.00760 0.01470 0.03254 -0.01713 0.06608 109 2PY -0.07399 0.14745 -0.02545 -0.27584 0.11161 110 2PZ 0.01750 -0.03490 0.06729 0.10211 0.13292 111 3S -0.00911 0.03526 -0.01257 -0.10882 0.04292 112 3PX -0.01056 0.02529 0.00671 0.00250 0.05614 113 3PY -0.01739 0.04255 -0.01104 -0.10909 0.05498 114 3PZ 0.00677 -0.01771 0.05241 0.04786 0.09723 115 4XX 0.00302 -0.00723 0.00378 0.01047 -0.00191 116 4YY -0.00726 0.01220 -0.00238 -0.01341 0.00980 117 4ZZ 0.00129 -0.00301 -0.00025 0.00331 -0.00757 118 4XY -0.00163 0.00324 0.01061 -0.00403 0.00313 119 4XZ -0.00044 0.00133 -0.00317 -0.00138 0.00190 120 4YZ 0.00280 -0.00514 0.00252 0.00915 0.01086 121 9 H 1S 0.01074 -0.02379 0.01756 0.03720 -0.01333 122 2S 0.00776 -0.01539 0.02766 0.05292 -0.02411 123 10 H 1S -0.00665 0.01522 -0.00161 -0.02651 0.00666 124 2S -0.00730 0.01523 0.00016 -0.04223 0.00898 125 11 H 1S -0.00092 0.00096 0.00223 -0.00183 -0.00073 126 2S -0.00058 0.00140 0.00016 0.00040 -0.00039 127 12 H 1S -0.00655 0.01517 0.02413 0.00696 -0.01219 128 2S -0.00695 0.01456 0.03846 0.00758 -0.01794 129 13 H 1S 0.00982 -0.02330 -0.03045 -0.02275 0.01716 130 2S 0.00949 -0.01927 -0.03436 -0.04715 0.02186 131 14 O 1S -0.00224 0.00426 -0.00403 0.00800 -0.00279 132 2S 0.00562 -0.01029 0.01291 -0.01903 0.00474 133 2PX 0.02082 -0.03677 0.03634 -0.06111 -0.01765 134 2PY -0.01585 0.03364 -0.04465 0.04542 -0.01503 135 2PZ -0.00398 0.00864 -0.02497 -0.00164 -0.02497 136 3S 0.00017 -0.00171 -0.00452 -0.02442 0.02566 137 3PX 0.01996 -0.03615 0.03896 -0.06586 -0.02196 138 3PY -0.01125 0.02422 -0.03724 0.03891 -0.02300 139 3PZ -0.00631 0.01278 -0.03447 0.00352 -0.02559 140 4XX 0.00016 -0.00004 0.00117 0.00055 -0.00030 141 4YY 0.00071 -0.00127 0.00083 -0.00034 -0.00059 142 4ZZ 0.00032 -0.00024 0.00162 -0.00058 -0.00127 143 4XY -0.00015 -0.00003 0.00167 -0.00072 -0.00011 144 4XZ -0.00018 0.00023 -0.00116 0.00056 0.00110 145 4YZ -0.00062 0.00097 -0.00155 0.00126 0.00019 146 15 C 1S 0.00009 0.00080 -0.00089 -0.00111 -0.00135 147 2S -0.00101 0.00107 0.00094 0.00408 0.00844 148 2PX 0.00004 -0.00052 0.00588 0.00380 0.00749 149 2PY -0.00110 0.00319 -0.00435 0.00407 0.00217 150 2PZ -0.00074 0.00185 -0.00381 0.00274 0.00074 151 3S 0.00526 -0.00929 0.00697 -0.01048 -0.01981 152 3PX -0.00056 0.00130 -0.00197 0.00846 -0.00397 153 3PY 0.00303 -0.00594 0.00643 -0.00401 0.00073 154 3PZ -0.00273 0.00611 -0.00897 0.01138 -0.00480 155 4XX 0.00038 -0.00071 0.00135 -0.00123 -0.00074 156 4YY -0.00022 0.00045 -0.00046 0.00038 0.00076 157 4ZZ -0.00041 0.00069 -0.00102 0.00088 0.00140 158 4XY 0.00031 -0.00059 0.00112 -0.00047 -0.00028 159 4XZ 0.00006 0.00004 0.00033 0.00029 0.00058 160 4YZ -0.00027 0.00059 -0.00092 0.00101 0.00064 161 16 C 1S 0.00000 0.00035 -0.00032 0.00105 0.00022 162 2S 0.00008 -0.00048 0.00122 -0.00213 0.00020 163 2PX -0.00093 0.00135 -0.00033 0.00179 0.00490 164 2PY 0.00141 -0.00380 0.00355 -0.00418 -0.00505 165 2PZ 0.00015 -0.00085 -0.00078 -0.00387 -0.00352 166 3S 0.00123 -0.00369 0.00257 -0.00410 0.00030 167 3PX -0.00116 0.00175 -0.00066 -0.00132 0.00851 168 3PY 0.00175 -0.00432 0.00683 -0.00528 -0.00010 169 3PZ 0.00030 -0.00085 0.00081 -0.00687 -0.00273 170 4XX 0.00009 -0.00017 0.00036 0.00031 0.00002 171 4YY 0.00002 -0.00004 0.00001 -0.00006 0.00011 172 4ZZ -0.00005 0.00014 0.00001 -0.00010 0.00034 173 4XY -0.00004 0.00003 0.00014 0.00016 0.00059 174 4XZ 0.00000 0.00007 -0.00008 -0.00004 -0.00005 175 4YZ 0.00000 0.00014 -0.00021 0.00030 0.00008 176 17 C 1S 0.00003 -0.00016 0.00009 -0.00038 -0.00028 177 2S -0.00010 0.00037 -0.00044 0.00093 0.00075 178 2PX -0.00031 0.00188 -0.00112 0.00038 0.00166 179 2PY 0.00001 -0.00017 0.00006 0.00135 0.00021 180 2PZ 0.00019 -0.00054 0.00048 0.00149 -0.00028 181 3S -0.00040 0.00083 0.00172 -0.00121 0.00524 182 3PX -0.00002 0.00096 0.00067 -0.00184 0.00199 183 3PY 0.00004 -0.00025 0.00088 -0.00078 0.00004 184 3PZ 0.00011 -0.00087 0.00117 0.00058 0.00164 185 4XX -0.00011 0.00024 -0.00020 0.00034 0.00053 186 4YY 0.00005 -0.00013 0.00010 -0.00014 -0.00020 187 4ZZ 0.00003 -0.00006 -0.00002 -0.00031 -0.00027 188 4XY 0.00004 -0.00006 0.00011 -0.00016 -0.00017 189 4XZ -0.00004 0.00008 -0.00009 0.00005 0.00013 190 4YZ 0.00004 -0.00008 0.00005 -0.00016 -0.00028 191 18 C 1S 0.00002 0.00000 0.00006 0.00010 -0.00002 192 2S -0.00002 -0.00005 -0.00005 -0.00029 0.00019 193 2PX 0.00053 -0.00093 0.00084 -0.00303 -0.00307 194 2PY -0.00027 0.00052 -0.00045 0.00171 0.00192 195 2PZ -0.00067 0.00091 -0.00118 0.00244 0.00297 196 3S -0.00143 0.00254 -0.00444 0.00462 0.00117 197 3PX 0.00059 -0.00099 0.00020 -0.00281 -0.00522 198 3PY -0.00101 0.00192 -0.00302 0.00458 0.00188 199 3PZ -0.00016 0.00017 -0.00083 0.00120 0.00125 200 4XX -0.00002 0.00005 -0.00007 0.00004 0.00007 201 4YY -0.00001 0.00008 -0.00007 -0.00002 -0.00003 202 4ZZ 0.00002 -0.00009 0.00006 0.00007 -0.00004 203 4XY 0.00000 -0.00003 0.00000 0.00010 -0.00005 204 4XZ 0.00000 0.00005 -0.00003 -0.00001 0.00003 205 4YZ 0.00000 0.00002 0.00001 0.00004 -0.00001 206 19 C 1S 0.00004 -0.00008 -0.00006 -0.00025 -0.00019 207 2S -0.00007 0.00020 -0.00022 0.00042 -0.00045 208 2PX -0.00010 -0.00068 0.00027 0.00118 0.00033 209 2PY -0.00011 0.00066 -0.00006 0.00021 0.00022 210 2PZ -0.00009 0.00080 -0.00005 0.00008 0.00017 211 3S -0.00146 0.00185 0.00199 0.00330 0.01260 212 3PX -0.00076 0.00057 -0.00006 0.00318 0.00486 213 3PY -0.00251 0.00492 -0.00511 0.00776 0.00524 214 3PZ 0.00052 -0.00090 0.00407 -0.00259 0.00398 215 4XX -0.00009 0.00007 -0.00012 0.00036 0.00047 216 4YY 0.00005 -0.00008 0.00010 -0.00028 -0.00030 217 4ZZ 0.00002 -0.00001 0.00003 -0.00015 -0.00017 218 4XY -0.00004 0.00003 0.00002 0.00015 0.00025 219 4XZ 0.00001 -0.00003 0.00010 -0.00008 0.00004 220 4YZ 0.00003 -0.00003 0.00005 -0.00017 -0.00023 221 20 C 1S 0.00004 0.00039 -0.00005 0.00040 -0.00016 222 2S 0.00027 -0.00101 0.00135 -0.00088 0.00167 223 2PX -0.00069 0.00001 -0.00063 0.00318 0.00529 224 2PY 0.00098 -0.00145 0.00134 -0.00419 -0.00394 225 2PZ 0.00030 0.00044 -0.00053 -0.00264 -0.00288 226 3S -0.00179 0.00364 -0.00891 0.00089 -0.01220 227 3PX -0.00377 0.00512 -0.00463 0.00965 0.01439 228 3PY 0.00275 -0.00535 0.00858 -0.01330 -0.00158 229 3PZ -0.00377 0.00780 -0.00888 0.01095 0.00407 230 4XX 0.00001 0.00007 0.00006 0.00018 0.00014 231 4YY 0.00011 -0.00024 0.00033 -0.00015 0.00012 232 4ZZ -0.00003 0.00014 -0.00032 0.00028 -0.00001 233 4XY 0.00009 -0.00012 0.00010 -0.00022 -0.00037 234 4XZ -0.00011 0.00019 -0.00010 0.00033 0.00029 235 4YZ -0.00002 0.00011 -0.00020 0.00017 0.00000 236 21 H 1S 0.00047 -0.00130 0.00123 -0.00150 -0.00053 237 2S -0.00256 0.00469 -0.00666 0.01314 0.00578 238 22 H 1S 0.00003 -0.00003 -0.00002 -0.00018 -0.00005 239 2S 0.00061 -0.00123 0.00214 -0.00243 0.00013 240 23 H 1S 0.00004 0.00004 0.00001 0.00021 -0.00013 241 2S 0.00004 0.00007 -0.00018 0.00050 -0.00076 242 24 H 1S 0.00017 -0.00047 0.00048 -0.00046 -0.00056 243 2S 0.00034 -0.00076 0.00119 -0.00159 -0.00141 244 25 H 1S -0.00033 0.00044 -0.00048 -0.00129 0.00008 245 2S 0.00015 -0.00032 0.00101 -0.00040 -0.00009 246 26 O 1S -0.00028 0.00139 0.00061 -0.00006 0.00504 247 2S 0.00059 -0.00387 -0.00107 -0.00248 -0.01281 248 2PX -0.00001 -0.00511 -0.00521 0.00325 -0.01117 249 2PY 0.00004 -0.00145 0.00202 -0.00315 0.00128 250 2PZ -0.00104 0.00222 -0.00151 0.00163 0.00702 251 3S -0.00189 0.00271 -0.01379 0.01070 -0.02007 252 3PX 0.00044 -0.00392 -0.00393 0.00478 -0.00450 253 3PY -0.00027 -0.00045 0.00079 -0.00013 0.00194 254 3PZ -0.00068 -0.00011 0.00070 -0.00273 0.00440 255 4XX -0.00052 0.00081 -0.00029 -0.00050 0.00114 256 4YY -0.00024 -0.00019 -0.00026 -0.00075 -0.00094 257 4ZZ 0.00031 -0.00095 0.00131 -0.00164 -0.00142 258 4XY 0.00018 -0.00041 0.00058 -0.00031 -0.00045 259 4XZ -0.00009 0.00017 -0.00084 0.00042 -0.00108 260 4YZ -0.00027 0.00040 -0.00055 0.00027 0.00044 261 27 H 1S 0.00042 0.00092 0.00419 -0.00203 0.00753 262 2S 0.00209 -0.00283 0.01132 -0.00339 0.00798 263 28 H 1S -0.00406 0.00847 -0.01563 0.00817 0.00060 264 2S -0.00780 0.01502 -0.03917 0.02185 0.00113 36 37 38 39 40 36 3S 0.23454 37 3PX -0.04000 0.12070 38 3PY 0.04575 -0.00642 0.08240 39 3PZ 0.01337 0.04469 0.03743 0.16232 40 4XX 0.00386 0.00185 0.00632 0.00007 0.00126 41 4YY 0.00510 -0.00381 -0.00407 0.00179 -0.00072 42 4ZZ -0.00543 0.00145 -0.00115 -0.00196 -0.00029 43 4XY -0.00162 0.00828 -0.00639 -0.00281 -0.00024 44 4XZ -0.00468 -0.00076 -0.00065 0.00368 -0.00033 45 4YZ -0.00330 -0.00443 0.00232 -0.00272 0.00039 46 4 C 1S -0.01046 -0.02204 -0.00292 0.01080 -0.00495 47 2S 0.04433 0.05729 -0.00008 -0.02638 0.00814 48 2PX -0.09919 -0.04868 -0.01538 0.08291 -0.00180 49 2PY -0.00232 0.00297 -0.01501 0.03235 -0.00745 50 2PZ 0.03744 0.09031 0.04350 0.08873 0.00946 51 3S 0.04016 0.02249 0.00365 -0.02174 0.00536 52 3PX 0.00542 -0.01489 0.01672 0.05014 0.00086 53 3PY -0.01550 0.02541 -0.01984 0.01980 -0.00325 54 3PZ -0.00053 0.04921 0.02298 0.06798 0.00571 55 4XX 0.00485 -0.00252 0.00223 -0.00731 0.00073 56 4YY -0.00325 -0.00043 -0.00546 -0.00040 -0.00066 57 4ZZ 0.00047 0.00282 0.00243 0.00747 -0.00013 58 4XY 0.00619 0.00266 -0.00228 -0.00461 -0.00033 59 4XZ -0.00601 -0.00483 -0.00361 -0.00497 -0.00032 60 4YZ -0.00173 -0.00365 0.00185 -0.00130 -0.00006 61 5 C 1S 0.01096 0.00669 0.00057 -0.00300 -0.00080 62 2S -0.03249 -0.02137 0.00109 0.00906 0.00193 63 2PX 0.02002 0.00892 0.00457 -0.01519 -0.00338 64 2PY -0.01485 -0.00431 0.01177 -0.00670 0.00439 65 2PZ -0.01876 -0.00910 -0.01864 -0.01792 0.00677 66 3S -0.05309 -0.00345 -0.01205 0.00537 0.00077 67 3PX 0.01441 -0.00516 0.00766 -0.01421 -0.00001 68 3PY -0.01829 -0.00663 0.00165 -0.00634 0.00197 69 3PZ -0.01584 -0.00546 -0.01847 -0.02435 0.00463 70 4XX 0.00064 0.00085 0.00095 -0.00367 0.00009 71 4YY -0.00161 -0.00032 -0.00107 0.00365 -0.00016 72 4ZZ 0.00085 0.00051 0.00033 -0.00037 0.00006 73 4XY 0.00072 0.00096 0.00197 0.00187 -0.00036 74 4XZ 0.00048 -0.00283 -0.00167 -0.00267 -0.00030 75 4YZ 0.00049 0.00393 0.00202 0.00648 0.00032 76 6 C 1S 0.00653 0.00162 -0.00183 -0.00056 0.00005 77 2S -0.00304 0.00390 -0.00247 -0.00058 -0.00024 78 2PX 0.02462 -0.01873 -0.03173 -0.02956 -0.00041 79 2PY -0.02216 -0.02675 -0.01717 -0.00598 -0.00133 80 2PZ -0.01119 -0.03550 -0.01819 -0.08642 0.00153 81 3S 0.00409 -0.00912 0.00621 0.00246 0.00000 82 3PX 0.00493 -0.01127 -0.02619 -0.03258 -0.00026 83 3PY -0.01053 -0.02141 -0.00697 -0.01020 -0.00088 84 3PZ -0.00451 -0.03835 -0.01951 -0.07974 0.00077 85 4XX 0.00024 0.00139 0.00127 0.00007 0.00008 86 4YY -0.00040 -0.00115 -0.00148 0.00039 0.00017 87 4ZZ 0.00045 -0.00043 0.00026 -0.00042 -0.00021 88 4XY -0.00137 -0.00029 0.00084 -0.00020 -0.00001 89 4XZ -0.00022 0.00011 -0.00029 0.00115 0.00011 90 4YZ -0.00005 0.00019 -0.00058 -0.00110 0.00030 91 7 C 1S 0.00857 0.00205 -0.00640 0.00063 0.00038 92 2S -0.02857 -0.00721 0.02026 -0.00099 -0.00034 93 2PX 0.01360 0.00532 -0.00135 -0.01339 -0.00045 94 2PY -0.01518 0.00688 0.00834 -0.00971 -0.00142 95 2PZ 0.00716 -0.01990 -0.01112 -0.01528 -0.00267 96 3S -0.03012 -0.00605 0.00990 -0.00555 -0.00078 97 3PX 0.00380 0.00484 -0.00734 -0.01303 -0.00102 98 3PY -0.00746 0.00754 -0.00054 -0.01246 -0.00067 99 3PZ 0.00837 -0.02283 -0.00752 -0.02238 -0.00248 100 4XX -0.00177 -0.00079 -0.00017 -0.00608 0.00022 101 4YY 0.00076 -0.00157 -0.00245 0.00200 -0.00033 102 4ZZ 0.00077 0.00229 0.00162 0.00424 0.00003 103 4XY -0.00043 -0.00055 0.00100 -0.00055 0.00020 104 4XZ 0.00067 -0.00350 -0.00282 -0.00530 -0.00001 105 4YZ 0.00070 0.00177 0.00068 0.00241 -0.00006 106 8 C 1S -0.00819 -0.00563 0.02695 -0.00438 0.00268 107 2S 0.03728 0.01720 -0.06449 0.00959 -0.00664 108 2PX 0.00079 -0.00286 0.01679 0.05484 -0.00383 109 2PY 0.09958 -0.01205 -0.07666 0.04952 -0.00935 110 2PZ -0.00556 0.06664 0.04544 0.10287 0.00130 111 3S 0.01954 0.02148 -0.04372 0.01252 -0.00506 112 3PX 0.01548 -0.01245 0.02328 0.04585 -0.00175 113 3PY 0.02494 -0.00517 -0.02517 0.02715 -0.00453 114 3PZ 0.00065 0.05137 0.02311 0.07427 -0.00059 115 4XX -0.00489 0.00423 0.00192 -0.00087 0.00027 116 4YY 0.00846 -0.00122 -0.00277 0.00577 -0.00037 117 4ZZ -0.00238 -0.00113 0.00043 -0.00480 0.00021 118 4XY 0.00218 0.00688 -0.00189 0.00282 0.00012 119 4XZ 0.00144 -0.00335 0.00071 0.00090 -0.00016 120 4YZ -0.00358 0.00303 0.00518 0.00892 0.00029 121 9 H 1S -0.01073 0.03617 -0.00668 -0.01067 0.00193 122 2S -0.01020 0.02026 0.01124 -0.01048 0.00270 123 10 H 1S -0.00045 -0.01216 -0.00440 0.00577 -0.00030 124 2S 0.00422 -0.00592 -0.01494 0.00494 -0.00091 125 11 H 1S 0.01830 0.00629 -0.00605 -0.00169 0.00041 126 2S 0.01131 0.00034 -0.00127 -0.00016 0.00064 127 12 H 1S 0.00072 0.00365 0.01219 -0.00402 -0.00150 128 2S 0.00642 0.01519 0.00877 -0.00777 -0.00096 129 13 H 1S -0.00117 0.00900 -0.02625 0.00034 -0.00366 130 2S -0.01790 -0.00480 -0.03082 0.00464 -0.00445 131 14 O 1S 0.00894 0.00421 0.00320 -0.00397 0.00012 132 2S -0.02078 -0.00791 -0.00814 0.00814 -0.00024 133 2PX -0.18612 0.02844 -0.09988 -0.01737 -0.00557 134 2PY 0.05755 -0.10852 -0.00134 0.01114 0.00015 135 2PZ 0.06211 -0.03676 0.01848 -0.04567 -0.00436 136 3S -0.01384 -0.02619 -0.01096 0.02739 -0.00001 137 3PX -0.15038 0.02870 -0.08450 -0.02100 -0.00449 138 3PY 0.04186 -0.07673 0.00277 -0.00421 0.00027 139 3PZ 0.05367 -0.04202 0.01364 -0.03708 -0.00315 140 4XX 0.00030 -0.00097 -0.00048 0.00080 0.00001 141 4YY -0.00236 0.00600 0.00147 -0.00122 0.00021 142 4ZZ 0.00062 -0.00211 -0.00091 -0.00149 -0.00028 143 4XY 0.00571 0.00152 0.00280 0.00016 0.00025 144 4XZ -0.00309 -0.00045 -0.00124 0.00047 -0.00011 145 4YZ 0.00046 -0.00183 -0.00033 0.00202 0.00022 146 15 C 1S -0.01265 0.00852 0.00105 -0.00561 -0.00018 147 2S 0.01587 -0.00351 0.00229 0.00925 0.00010 148 2PX 0.00517 -0.00242 0.00470 0.01335 0.00017 149 2PY 0.00644 0.01258 -0.00326 -0.00464 -0.00008 150 2PZ 0.01094 0.00428 -0.00222 -0.00287 -0.00001 151 3S 0.00219 -0.00426 -0.01377 -0.01163 -0.00115 152 3PX 0.01606 -0.01534 0.00948 0.00572 -0.00017 153 3PY -0.00729 0.01330 -0.00939 -0.00222 -0.00030 154 3PZ 0.02306 -0.00294 0.00703 -0.00597 0.00058 155 4XX -0.00171 0.00247 -0.00116 -0.00114 0.00011 156 4YY 0.00018 -0.00126 0.00065 0.00103 -0.00004 157 4ZZ 0.00228 -0.00071 0.00084 0.00100 -0.00005 158 4XY -0.00024 0.00095 -0.00064 -0.00011 0.00003 159 4XZ 0.00038 0.00020 0.00040 0.00046 -0.00001 160 4YZ 0.00081 -0.00063 0.00091 0.00069 -0.00001 161 16 C 1S -0.00209 0.00084 0.00535 -0.00114 0.00012 162 2S 0.00076 -0.00260 -0.00471 0.00242 -0.00016 163 2PX 0.00250 -0.01654 0.00730 0.01202 -0.00016 164 2PY 0.00374 -0.00178 -0.00301 -0.00447 0.00013 165 2PZ 0.00827 0.00696 -0.01050 -0.00605 -0.00018 166 3S -0.00185 0.00194 -0.00745 0.00325 0.00000 167 3PX -0.00576 -0.00921 0.00480 0.01077 -0.00031 168 3PY -0.00706 0.00481 -0.00487 -0.00185 -0.00008 169 3PZ 0.00244 0.00781 -0.01012 -0.00636 -0.00026 170 4XX -0.00005 0.00030 0.00007 0.00012 0.00002 171 4YY 0.00024 -0.00001 -0.00012 -0.00004 -0.00001 172 4ZZ -0.00020 -0.00026 -0.00006 0.00046 -0.00002 173 4XY 0.00013 -0.00037 0.00043 0.00073 0.00000 174 4XZ -0.00002 0.00050 -0.00044 -0.00028 -0.00001 175 4YZ -0.00038 0.00060 0.00021 -0.00035 0.00001 176 17 C 1S 0.00034 -0.00073 -0.00022 0.00012 -0.00001 177 2S -0.00009 0.00093 0.00077 0.00003 0.00004 178 2PX -0.00957 0.00407 -0.00055 -0.00041 0.00001 179 2PY 0.00231 0.00396 -0.00149 -0.00083 0.00003 180 2PZ 0.00070 0.00397 -0.00144 -0.00089 0.00001 181 3S -0.00286 0.00189 0.00115 0.00237 -0.00022 182 3PX -0.00917 0.00263 -0.00057 -0.00011 -0.00012 183 3PY 0.00229 0.00229 -0.00167 -0.00055 -0.00013 184 3PZ -0.00017 0.00136 -0.00051 0.00128 -0.00009 185 4XX -0.00016 -0.00074 0.00069 0.00080 -0.00001 186 4YY 0.00000 -0.00010 0.00000 -0.00015 0.00001 187 4ZZ 0.00021 0.00067 -0.00072 -0.00059 -0.00001 188 4XY -0.00041 0.00017 -0.00019 -0.00024 0.00000 189 4XZ 0.00013 0.00006 0.00001 0.00010 0.00000 190 4YZ -0.00019 0.00068 -0.00049 -0.00050 0.00000 191 18 C 1S -0.00036 0.00025 0.00029 -0.00009 0.00003 192 2S 0.00096 -0.00032 -0.00093 0.00033 -0.00006 193 2PX -0.00078 0.00542 -0.00715 -0.00566 -0.00010 194 2PY -0.00135 -0.00294 0.00206 0.00386 -0.00008 195 2PZ 0.00526 -0.00692 0.00664 0.00554 0.00007 196 3S 0.00619 -0.00386 0.00262 0.00157 0.00013 197 3PX -0.00169 0.00499 -0.00662 -0.00713 0.00001 198 3PY 0.00464 -0.00582 0.00518 0.00398 0.00008 199 3PZ 0.00048 -0.00592 0.00392 0.00386 -0.00008 200 4XX -0.00004 0.00016 -0.00009 -0.00006 0.00000 201 4YY -0.00040 -0.00021 0.00021 0.00008 0.00001 202 4ZZ 0.00044 0.00008 -0.00006 -0.00005 0.00000 203 4XY 0.00036 0.00017 -0.00019 -0.00008 0.00000 204 4XZ -0.00033 0.00000 0.00018 0.00001 0.00001 205 4YZ -0.00024 0.00008 0.00014 0.00000 0.00001 206 19 C 1S -0.00085 -0.00015 -0.00012 -0.00037 -0.00004 207 2S 0.00093 0.00023 -0.00021 0.00000 0.00009 208 2PX 0.00983 0.00174 -0.00324 -0.00081 -0.00001 209 2PY -0.00170 -0.00222 0.00557 0.00116 0.00030 210 2PZ -0.00393 -0.00256 0.00399 0.00184 0.00028 211 3S 0.00796 0.00463 0.00560 0.01005 0.00021 212 3PX 0.01157 0.00306 -0.00064 0.00240 0.00000 213 3PY 0.00892 -0.00444 0.01062 0.00560 0.00057 214 3PZ -0.00574 0.00157 0.00266 0.00445 0.00006 215 4XX 0.00079 -0.00063 0.00040 0.00067 -0.00001 216 4YY -0.00040 0.00038 -0.00053 -0.00044 -0.00001 217 4ZZ -0.00044 0.00025 0.00009 -0.00023 0.00002 218 4XY 0.00023 -0.00032 0.00028 0.00039 0.00001 219 4XZ 0.00007 0.00030 -0.00006 -0.00010 0.00001 220 4YZ -0.00024 0.00030 -0.00015 -0.00036 0.00002 221 20 C 1S -0.00335 0.00428 -0.00033 -0.00050 0.00006 222 2S 0.00342 -0.00498 -0.00047 0.00185 -0.00016 223 2PX 0.00931 -0.00786 0.00102 0.00752 -0.00055 224 2PY -0.00779 -0.00109 -0.00398 -0.00433 -0.00025 225 2PZ -0.00723 0.00702 -0.00233 -0.00647 0.00015 226 3S 0.00997 -0.01405 0.00235 -0.00999 -0.00015 227 3PX 0.02138 -0.00622 0.01053 0.01381 0.00006 228 3PY -0.01777 0.00775 -0.00972 -0.00419 -0.00062 229 3PZ 0.01444 -0.00173 0.01154 0.00131 0.00085 230 4XX -0.00036 -0.00007 0.00054 0.00036 0.00005 231 4YY -0.00021 -0.00079 -0.00021 0.00034 -0.00005 232 4ZZ 0.00059 0.00042 -0.00031 -0.00044 0.00000 233 4XY -0.00012 0.00015 -0.00028 -0.00045 0.00000 234 4XZ 0.00070 -0.00026 0.00032 0.00040 0.00001 235 4YZ 0.00024 0.00051 -0.00016 -0.00017 0.00001 236 21 H 1S 0.00058 -0.00594 -0.00108 0.00076 -0.00028 237 2S 0.01515 -0.01026 0.01016 0.00767 0.00065 238 22 H 1S -0.00052 0.00078 0.00022 -0.00035 -0.00002 239 2S -0.00293 0.00230 -0.00118 -0.00049 -0.00013 240 23 H 1S -0.00060 0.00085 0.00021 -0.00039 0.00005 241 2S -0.00072 0.00084 0.00038 -0.00088 0.00008 242 24 H 1S 0.00005 -0.00216 0.00095 0.00021 0.00000 243 2S -0.00072 -0.00171 -0.00006 -0.00043 -0.00004 244 25 H 1S 0.00288 -0.00101 -0.00471 0.00141 -0.00019 245 2S -0.00160 -0.00122 -0.00246 0.00091 -0.00014 246 26 O 1S 0.00044 0.00273 -0.00298 0.00339 0.00042 247 2S -0.00226 -0.00570 0.00319 -0.00862 -0.00083 248 2PX 0.00731 -0.01582 -0.00701 0.00554 -0.00101 249 2PY 0.03763 0.02499 -0.00366 0.00038 -0.00004 250 2PZ -0.00899 0.00648 -0.00817 0.00877 -0.00022 251 3S 0.02367 -0.02448 0.01906 -0.00959 -0.00096 252 3PX 0.00761 -0.01123 -0.00357 0.00769 -0.00089 253 3PY 0.03390 0.01974 -0.00098 0.00095 0.00021 254 3PZ -0.01206 0.00708 -0.01071 0.00545 -0.00014 255 4XX -0.00089 0.00086 0.00009 -0.00026 0.00002 256 4YY -0.00008 0.00021 -0.00107 -0.00053 -0.00005 257 4ZZ -0.00271 0.00118 -0.00154 -0.00135 0.00003 258 4XY -0.00235 -0.00078 -0.00053 -0.00006 0.00000 259 4XZ 0.00214 -0.00136 0.00091 -0.00081 -0.00001 260 4YZ 0.00034 -0.00027 0.00007 0.00045 -0.00002 261 27 H 1S -0.00919 0.01116 -0.00103 0.00142 0.00023 262 2S -0.01273 0.01409 -0.00543 0.00368 0.00040 263 28 H 1S -0.00001 -0.02248 0.00580 0.00607 -0.00132 264 2S 0.02057 -0.04100 0.01554 0.00613 -0.00083 41 42 43 44 45 41 4YY 0.00147 42 4ZZ -0.00050 0.00066 43 4XY -0.00018 0.00012 0.00200 44 4XZ 0.00039 -0.00020 -0.00016 0.00071 45 4YZ -0.00012 -0.00027 -0.00043 0.00014 0.00089 46 4 C 1S 0.00188 -0.00052 -0.00390 0.00418 0.00151 47 2S -0.00547 0.00035 0.00742 -0.00763 -0.00254 48 2PX 0.00586 -0.00324 -0.00954 0.00985 0.00538 49 2PY 0.00870 -0.00116 0.00604 0.00555 -0.00340 50 2PZ -0.00212 -0.00797 0.00707 0.00249 0.00218 51 3S -0.00439 0.00052 0.00600 -0.00575 -0.00143 52 3PX 0.00366 -0.00342 -0.00371 0.00487 0.00217 53 3PY 0.00461 -0.00076 0.00507 0.00302 -0.00232 54 3PZ -0.00025 -0.00619 0.00406 0.00333 0.00340 55 4XX -0.00038 -0.00026 -0.00010 -0.00039 0.00039 56 4YY 0.00058 0.00021 0.00046 0.00012 -0.00040 57 4ZZ 0.00004 0.00000 -0.00015 0.00019 -0.00017 58 4XY 0.00016 0.00006 0.00087 -0.00031 -0.00043 59 4XZ 0.00031 -0.00009 -0.00007 0.00049 0.00035 60 4YZ -0.00026 0.00031 -0.00073 -0.00015 0.00019 61 5 C 1S 0.00093 0.00012 0.00140 0.00002 -0.00083 62 2S -0.00154 -0.00010 -0.00309 -0.00004 0.00174 63 2PX 0.00377 -0.00295 0.00661 0.00380 -0.00061 64 2PY -0.00163 -0.00165 -0.00335 0.00060 0.00338 65 2PZ 0.00112 -0.00733 0.00305 0.00469 0.00559 66 3S -0.00123 0.00048 -0.00125 0.00043 0.00116 67 3PX 0.00135 -0.00274 0.00312 0.00197 0.00110 68 3PY -0.00060 -0.00136 -0.00162 0.00074 0.00256 69 3PZ 0.00159 -0.00594 0.00356 0.00409 0.00462 70 4XX -0.00039 0.00026 0.00001 -0.00042 -0.00007 71 4YY 0.00030 -0.00008 0.00000 0.00022 0.00000 72 4ZZ 0.00005 -0.00016 0.00016 0.00016 0.00001 73 4XY 0.00018 -0.00001 0.00022 0.00014 -0.00011 74 4XZ 0.00010 0.00028 -0.00022 -0.00015 -0.00011 75 4YZ -0.00005 -0.00022 0.00003 0.00008 0.00016 76 6 C 1S -0.00003 -0.00016 -0.00037 -0.00004 0.00014 77 2S 0.00006 0.00014 0.00103 -0.00002 -0.00044 78 2PX 0.00109 -0.00039 -0.00062 0.00071 -0.00027 79 2PY 0.00127 -0.00017 0.00011 0.00098 -0.00047 80 2PZ -0.00141 -0.00011 0.00031 0.00031 -0.00040 81 3S -0.00020 -0.00007 -0.00045 0.00012 0.00034 82 3PX 0.00081 -0.00010 -0.00004 0.00023 -0.00005 83 3PY 0.00054 -0.00009 -0.00016 0.00050 -0.00001 84 3PZ -0.00083 0.00003 0.00019 -0.00004 0.00013 85 4XX 0.00018 -0.00022 -0.00001 0.00011 0.00030 86 4YY -0.00004 -0.00015 0.00008 0.00007 0.00014 87 4ZZ -0.00014 0.00035 -0.00022 -0.00017 -0.00038 88 4XY 0.00006 -0.00020 0.00047 0.00015 0.00008 89 4XZ 0.00007 -0.00017 0.00015 0.00005 0.00026 90 4YZ 0.00014 -0.00039 0.00009 0.00026 0.00033 91 7 C 1S -0.00038 0.00028 0.00170 -0.00054 -0.00066 92 2S 0.00099 -0.00040 -0.00371 0.00103 0.00140 93 2PX -0.00423 0.00333 0.00403 -0.00262 -0.00526 94 2PY 0.00362 0.00020 -0.00671 0.00097 -0.00008 95 2PZ -0.00272 0.00586 -0.00587 -0.00210 -0.00727 96 3S 0.00068 0.00001 -0.00162 0.00118 0.00105 97 3PX -0.00198 0.00272 0.00131 -0.00190 -0.00379 98 3PY 0.00093 0.00102 -0.00224 -0.00005 -0.00075 99 3PZ -0.00249 0.00517 -0.00470 -0.00228 -0.00589 100 4XX -0.00004 -0.00008 0.00007 -0.00001 0.00028 101 4YY 0.00022 -0.00002 0.00004 0.00009 -0.00025 102 4ZZ -0.00014 0.00010 0.00004 -0.00008 -0.00010 103 4XY -0.00049 0.00016 0.00028 -0.00013 -0.00012 104 4XZ 0.00018 -0.00020 0.00014 0.00009 0.00024 105 4YZ -0.00002 0.00017 -0.00033 -0.00001 -0.00033 106 8 C 1S -0.00725 0.00100 -0.00189 -0.00030 0.00289 107 2S 0.01225 -0.00257 0.00348 0.00110 -0.00532 108 2PX 0.00409 -0.00010 -0.01165 0.00272 -0.00124 109 2PY 0.01122 -0.00265 0.00536 0.00114 -0.00884 110 2PZ -0.00769 0.00683 -0.00201 -0.00264 -0.00921 111 3S 0.00903 -0.00182 0.00276 0.00142 -0.00406 112 3PX 0.00117 0.00046 -0.00824 0.00095 -0.00120 113 3PY 0.00418 -0.00048 0.00124 0.00130 -0.00372 114 3PZ -0.00420 0.00526 -0.00170 -0.00210 -0.00771 115 4XX -0.00054 0.00041 0.00010 -0.00021 -0.00023 116 4YY 0.00094 -0.00046 -0.00003 0.00015 -0.00033 117 4ZZ -0.00037 0.00006 0.00020 -0.00010 0.00036 118 4XY -0.00028 0.00007 0.00112 -0.00026 -0.00048 119 4XZ -0.00005 0.00012 -0.00059 0.00008 -0.00013 120 4YZ -0.00013 -0.00018 -0.00040 0.00035 0.00036 121 9 H 1S -0.00230 0.00163 0.00673 -0.00235 -0.00230 122 2S -0.00403 0.00144 0.00407 -0.00211 -0.00062 123 10 H 1S -0.00121 0.00020 0.00168 -0.00012 -0.00046 124 2S -0.00022 0.00014 0.00249 -0.00010 -0.00106 125 11 H 1S 0.00022 -0.00015 -0.00091 -0.00007 0.00033 126 2S 0.00010 -0.00026 -0.00196 0.00003 0.00080 127 12 H 1S 0.00012 0.00009 0.00135 0.00039 -0.00055 128 2S -0.00024 0.00025 0.00240 -0.00019 -0.00100 129 13 H 1S 0.00435 0.00054 0.00546 0.00072 -0.00344 130 2S 0.00417 0.00026 0.00296 0.00154 -0.00195 131 14 O 1S -0.00087 -0.00019 0.00022 -0.00049 0.00022 132 2S 0.00150 0.00048 -0.00004 0.00088 -0.00039 133 2PX 0.00461 0.00093 0.00014 -0.00111 0.00167 134 2PY -0.00334 0.00085 0.00136 -0.00497 0.00562 135 2PZ 0.00678 0.00040 0.00015 -0.00233 0.00419 136 3S 0.00070 0.00047 -0.00031 0.00074 -0.00042 137 3PX 0.00305 0.00116 0.00133 -0.00098 0.00105 138 3PY -0.00168 0.00040 0.00021 -0.00347 0.00432 139 3PZ 0.00489 0.00015 -0.00028 -0.00187 0.00340 140 4XX -0.00015 0.00002 0.00017 -0.00005 0.00003 141 4YY 0.00008 -0.00012 -0.00028 0.00038 -0.00038 142 4ZZ 0.00023 0.00009 0.00021 -0.00025 0.00032 143 4XY -0.00033 0.00002 0.00024 0.00008 -0.00022 144 4XZ 0.00022 -0.00005 -0.00020 -0.00002 0.00013 145 4YZ -0.00042 -0.00002 0.00000 0.00003 -0.00010 146 15 C 1S -0.00019 0.00016 -0.00007 0.00001 0.00003 147 2S 0.00036 -0.00015 -0.00010 0.00021 -0.00022 148 2PX 0.00032 -0.00043 0.00025 0.00106 -0.00046 149 2PY 0.00060 0.00012 0.00019 0.00005 -0.00021 150 2PZ 0.00040 0.00006 0.00003 -0.00021 -0.00009 151 3S 0.00084 0.00017 0.00103 -0.00009 0.00069 152 3PX 0.00034 -0.00046 0.00018 0.00094 0.00014 153 3PY 0.00009 0.00044 0.00056 -0.00020 -0.00018 154 3PZ -0.00015 0.00002 -0.00014 -0.00039 0.00016 155 4XX -0.00009 0.00005 0.00011 -0.00008 -0.00003 156 4YY 0.00002 -0.00002 -0.00007 0.00003 -0.00001 157 4ZZ 0.00009 -0.00004 -0.00010 0.00005 -0.00002 158 4XY -0.00005 0.00002 0.00007 0.00000 -0.00002 159 4XZ 0.00005 0.00001 0.00001 0.00003 -0.00003 160 4YZ 0.00005 -0.00003 -0.00003 0.00008 -0.00003 161 16 C 1S -0.00010 0.00007 0.00005 0.00001 -0.00003 162 2S -0.00004 0.00000 -0.00021 -0.00005 0.00004 163 2PX 0.00015 -0.00028 -0.00066 0.00051 0.00006 164 2PY -0.00047 0.00016 0.00029 -0.00070 0.00023 165 2PZ 0.00013 0.00008 0.00007 -0.00036 0.00014 166 3S -0.00017 -0.00010 0.00023 0.00013 0.00004 167 3PX 0.00045 -0.00025 -0.00061 0.00055 -0.00013 168 3PY -0.00032 0.00027 0.00030 -0.00043 -0.00012 169 3PZ 0.00023 0.00006 0.00007 -0.00035 0.00010 170 4XX -0.00003 0.00000 0.00005 0.00001 -0.00002 171 4YY -0.00001 0.00002 -0.00002 -0.00004 0.00000 172 4ZZ 0.00001 0.00000 -0.00005 0.00003 -0.00001 173 4XY 0.00001 -0.00002 -0.00001 0.00004 -0.00002 174 4XZ 0.00001 0.00001 -0.00001 -0.00001 0.00000 175 4YZ 0.00001 0.00001 0.00001 0.00000 -0.00001 176 17 C 1S -0.00002 -0.00001 -0.00003 -0.00002 0.00003 177 2S 0.00005 0.00000 0.00003 0.00004 -0.00006 178 2PX 0.00015 0.00012 -0.00014 0.00011 -0.00016 179 2PY 0.00003 -0.00005 0.00021 0.00008 -0.00007 180 2PZ -0.00005 -0.00004 0.00031 0.00004 -0.00004 181 3S 0.00030 0.00000 -0.00010 0.00009 -0.00021 182 3PX 0.00020 0.00015 -0.00022 0.00002 -0.00014 183 3PY 0.00014 -0.00007 0.00015 0.00010 -0.00005 184 3PZ 0.00002 -0.00003 0.00016 0.00006 -0.00009 185 4XX 0.00002 -0.00002 -0.00004 0.00005 -0.00001 186 4YY -0.00002 0.00000 0.00001 -0.00002 0.00001 187 4ZZ 0.00001 0.00001 0.00002 -0.00004 0.00000 188 4XY -0.00001 0.00001 0.00001 -0.00002 0.00000 189 4XZ 0.00001 -0.00001 -0.00001 0.00002 -0.00001 190 4YZ -0.00001 0.00001 0.00003 -0.00002 0.00000 191 18 C 1S -0.00003 0.00001 0.00001 0.00000 -0.00001 192 2S 0.00006 -0.00001 -0.00002 0.00000 0.00002 193 2PX 0.00000 0.00020 0.00014 -0.00042 0.00006 194 2PY 0.00007 -0.00011 -0.00006 0.00023 0.00003 195 2PZ 0.00008 -0.00021 -0.00023 0.00035 -0.00002 196 3S 0.00002 -0.00009 -0.00022 0.00001 0.00009 197 3PX -0.00008 0.00021 0.00021 -0.00045 0.00011 198 3PY 0.00003 -0.00018 -0.00017 0.00023 0.00009 199 3PZ 0.00013 -0.00014 -0.00019 0.00030 0.00004 200 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 201 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 202 4ZZ -0.00001 -0.00001 0.00002 0.00000 0.00000 203 4XY -0.00001 0.00000 0.00002 0.00000 0.00000 204 4XZ 0.00000 0.00000 -0.00001 0.00001 -0.00001 205 4YZ -0.00001 0.00000 0.00000 0.00001 -0.00001 206 19 C 1S 0.00002 0.00001 -0.00001 -0.00003 0.00004 207 2S -0.00002 -0.00002 0.00002 0.00004 -0.00004 208 2PX -0.00003 -0.00009 0.00015 -0.00005 -0.00011 209 2PY -0.00008 -0.00003 -0.00011 0.00016 -0.00011 210 2PZ -0.00006 -0.00002 -0.00012 0.00015 -0.00009 211 3S -0.00013 -0.00013 -0.00021 0.00038 -0.00056 212 3PX -0.00003 -0.00009 0.00006 0.00000 -0.00016 213 3PY -0.00020 -0.00018 -0.00038 0.00026 -0.00015 214 3PZ -0.00002 0.00002 -0.00003 0.00026 -0.00029 215 4XX 0.00001 -0.00003 -0.00002 0.00004 -0.00001 216 4YY 0.00000 0.00002 0.00001 -0.00003 0.00001 217 4ZZ -0.00001 0.00001 0.00000 -0.00001 0.00000 218 4XY 0.00000 -0.00001 -0.00001 0.00002 -0.00001 219 4XZ -0.00001 0.00001 0.00001 -0.00001 -0.00001 220 4YZ -0.00001 0.00001 0.00001 -0.00002 0.00000 221 20 C 1S -0.00006 0.00009 0.00008 0.00003 -0.00004 222 2S 0.00014 -0.00003 -0.00008 -0.00014 0.00010 223 2PX 0.00032 -0.00031 -0.00018 0.00037 0.00011 224 2PY 0.00012 0.00017 0.00008 -0.00045 0.00028 225 2PZ -0.00004 0.00036 0.00006 -0.00043 0.00010 226 3S 0.00049 -0.00016 -0.00022 -0.00025 0.00048 227 3PX 0.00006 -0.00048 -0.00056 0.00062 -0.00038 228 3PY 0.00035 0.00029 0.00036 -0.00033 -0.00005 229 3PZ -0.00038 -0.00005 -0.00046 -0.00010 -0.00005 230 4XX -0.00002 -0.00001 -0.00002 0.00004 -0.00002 231 4YY 0.00001 -0.00001 -0.00001 -0.00002 0.00003 232 4ZZ 0.00001 0.00002 0.00000 -0.00004 0.00002 233 4XY 0.00000 0.00001 0.00001 -0.00003 0.00001 234 4XZ 0.00001 -0.00002 -0.00001 0.00003 -0.00001 235 4YZ 0.00001 0.00000 0.00000 0.00001 -0.00001 236 21 H 1S 0.00009 -0.00005 -0.00004 -0.00016 0.00019 237 2S -0.00058 -0.00024 -0.00054 0.00000 0.00016 238 22 H 1S -0.00001 0.00003 0.00000 0.00000 0.00001 239 2S 0.00003 0.00007 0.00007 -0.00001 -0.00004 240 23 H 1S -0.00003 0.00000 0.00003 0.00002 -0.00004 241 2S -0.00005 0.00001 0.00005 0.00001 -0.00003 242 24 H 1S -0.00007 0.00001 0.00000 -0.00007 0.00005 243 2S -0.00008 0.00002 0.00003 -0.00008 0.00006 244 25 H 1S 0.00013 -0.00006 -0.00026 0.00007 0.00006 245 2S -0.00005 0.00010 -0.00017 -0.00002 -0.00003 246 26 O 1S 0.00024 -0.00012 -0.00003 0.00001 -0.00008 247 2S -0.00044 0.00043 0.00022 -0.00015 0.00016 248 2PX -0.00101 0.00136 0.00055 -0.00081 0.00042 249 2PY 0.00008 -0.00009 0.00095 0.00030 -0.00073 250 2PZ -0.00041 -0.00137 -0.00034 0.00075 0.00034 251 3S -0.00023 0.00017 -0.00046 0.00038 0.00054 252 3PX -0.00072 0.00094 0.00025 -0.00034 0.00014 253 3PY -0.00002 -0.00016 0.00083 0.00024 -0.00060 254 3PZ -0.00030 -0.00075 -0.00001 0.00024 0.00022 255 4XX 0.00011 -0.00013 -0.00007 0.00006 -0.00003 256 4YY -0.00001 0.00004 0.00008 -0.00004 0.00000 257 4ZZ -0.00008 0.00006 0.00012 -0.00010 0.00004 258 4XY -0.00005 0.00004 0.00000 -0.00005 0.00006 259 4XZ 0.00008 0.00008 0.00001 -0.00001 -0.00002 260 4YZ 0.00003 -0.00006 -0.00003 0.00005 -0.00002 261 27 H 1S -0.00001 -0.00087 -0.00022 0.00045 -0.00008 262 2S -0.00045 -0.00014 0.00026 -0.00018 -0.00017 263 28 H 1S 0.00054 -0.00025 -0.00060 0.00086 0.00005 264 2S 0.00076 -0.00062 -0.00179 0.00069 0.00074 46 47 48 49 50 46 4 C 1S 2.06034 47 2S -0.09733 0.30235 48 2PX -0.00047 0.00102 0.38750 49 2PY -0.00172 -0.00110 -0.01286 0.40851 50 2PZ 0.00127 -0.00252 -0.04471 -0.02486 0.29072 51 3S -0.14120 0.21569 -0.01419 0.02713 -0.00876 52 3PX -0.00521 0.01211 0.15470 0.03296 0.01753 53 3PY -0.01507 0.04198 0.02309 0.21623 -0.00680 54 3PZ 0.00579 -0.01598 0.01990 -0.01293 0.19499 55 4XX -0.00509 0.00376 -0.00588 -0.01423 0.00494 56 4YY -0.00962 0.01180 0.00783 0.02345 -0.01280 57 4ZZ -0.00024 -0.00825 -0.00187 0.00044 0.00530 58 4XY 0.00046 -0.00155 -0.02012 0.00882 0.00183 59 4XZ 0.00310 -0.00738 0.00751 0.00440 -0.00314 60 4YZ 0.00256 -0.00524 0.00188 -0.01198 -0.00814 61 5 C 1S 0.01664 -0.03313 -0.05767 0.04974 0.01316 62 2S -0.03297 0.05882 0.11491 -0.09836 -0.02653 63 2PX 0.05685 -0.11537 -0.13784 0.16301 0.10232 64 2PY -0.04944 0.10087 0.17008 -0.11436 -0.00514 65 2PZ -0.01314 0.02584 0.10232 -0.00205 0.14906 66 3S -0.00858 0.04030 0.09865 -0.06844 -0.02309 67 3PX 0.01837 -0.05021 -0.05583 0.04734 0.07364 68 3PY -0.00439 0.01042 0.05999 -0.06344 0.01949 69 3PZ -0.00653 0.01783 0.07316 0.02521 0.11355 70 4XX -0.00296 0.00437 -0.00401 -0.01152 -0.00376 71 4YY -0.00153 0.00108 0.00590 0.00873 -0.00148 72 4ZZ 0.00150 -0.00355 -0.00304 0.00351 0.00566 73 4XY 0.00618 -0.01184 -0.01219 0.00843 0.00390 74 4XZ 0.00076 -0.00100 -0.00188 0.00310 -0.00949 75 4YZ -0.00180 0.00377 0.00599 -0.00319 0.00613 76 6 C 1S -0.00327 0.00717 0.00744 -0.01267 -0.00040 77 2S 0.00724 -0.01507 -0.01759 0.02973 0.00119 78 2PX -0.00312 0.00686 0.00697 -0.00471 -0.00149 79 2PY 0.01344 -0.03266 -0.02709 0.04176 0.00237 80 2PZ -0.00191 0.00498 0.00100 -0.00714 0.00248 81 3S 0.00834 -0.02889 -0.01730 0.02069 0.00222 82 3PX -0.00263 0.01101 0.00738 -0.00087 -0.00889 83 3PY 0.00946 -0.02548 -0.02111 0.02245 -0.00032 84 3PZ -0.00134 0.00175 -0.00716 -0.00814 -0.01064 85 4XX 0.00026 -0.00010 0.00106 0.00123 0.00293 86 4YY -0.00032 0.00091 0.00387 -0.00338 0.00284 87 4ZZ 0.00026 -0.00035 -0.00326 -0.00043 -0.00588 88 4XY 0.00175 -0.00392 -0.00418 0.00685 0.00563 89 4XZ -0.00049 0.00091 0.00257 -0.00088 0.00223 90 4YZ -0.00065 0.00140 0.00523 0.00030 0.00729 91 7 C 1S -0.00275 0.00493 -0.00064 -0.00708 0.00197 92 2S 0.00485 -0.01021 0.00127 0.01345 -0.00368 93 2PX 0.00090 -0.00132 -0.03719 -0.00264 -0.02883 94 2PY 0.00640 -0.01180 -0.00107 0.01351 -0.02454 95 2PZ -0.00204 0.00440 -0.03025 -0.02551 -0.08934 96 3S 0.00666 -0.00256 0.00735 0.03710 -0.01069 97 3PX 0.00161 -0.00170 -0.03327 -0.00823 -0.03078 98 3PY 0.00270 0.00216 -0.00216 0.01111 -0.02412 99 3PZ -0.00156 0.00162 -0.03264 -0.02324 -0.08979 100 4XX -0.00032 0.00081 -0.00029 -0.00002 0.00064 101 4YY 0.00026 -0.00087 0.00069 0.00020 -0.00071 102 4ZZ -0.00016 0.00011 -0.00032 -0.00008 0.00004 103 4XY 0.00009 -0.00027 -0.00216 0.00041 0.00056 104 4XZ 0.00002 -0.00023 0.00075 -0.00009 0.00041 105 4YZ -0.00013 0.00034 0.00033 -0.00048 -0.00112 106 8 C 1S -0.00331 0.00717 -0.00966 -0.00841 0.00558 107 2S 0.00724 -0.01505 0.02266 0.01944 -0.01317 108 2PX 0.00593 -0.01361 0.01354 0.00658 -0.01626 109 2PY 0.01207 -0.02883 0.02761 0.02488 -0.02012 110 2PZ -0.00454 0.01108 -0.01793 -0.01150 -0.01064 111 3S 0.00571 -0.02419 0.02210 0.01575 -0.00465 112 3PX 0.00607 -0.01946 0.00315 -0.00835 -0.01630 113 3PY 0.00496 -0.01512 0.02041 0.02310 -0.01655 114 3PZ -0.00324 0.01080 -0.01728 -0.00785 -0.02546 115 4XX -0.00038 0.00129 -0.00310 -0.00135 -0.00051 116 4YY 0.00086 -0.00169 0.00343 0.00065 0.00256 117 4ZZ -0.00030 0.00084 -0.00229 -0.00100 -0.00065 118 4XY -0.00144 0.00299 -0.00510 -0.00289 0.00687 119 4XZ 0.00048 -0.00116 0.00136 0.00075 -0.00406 120 4YZ 0.00046 -0.00100 0.00624 0.00361 0.00742 121 9 H 1S -0.00614 0.01432 -0.02217 -0.01128 0.01200 122 2S -0.00622 0.01200 -0.03426 -0.02176 0.01834 123 10 H 1S -0.00097 0.00100 -0.00045 -0.00273 0.00085 124 2S -0.00023 0.00092 0.00013 0.00116 -0.00045 125 11 H 1S -0.00655 0.01541 0.01941 -0.01915 -0.00385 126 2S -0.00739 0.01565 0.02788 -0.03365 -0.00473 127 12 H 1S 0.01132 -0.02558 -0.03707 0.01297 0.01234 128 2S 0.01007 -0.01933 -0.05749 0.02251 0.01909 129 13 H 1S -0.05858 0.11257 0.02255 0.24734 -0.06502 130 2S -0.00916 0.02039 0.01297 0.15301 -0.04182 131 14 O 1S -0.00116 0.00264 -0.00311 0.00336 -0.00091 132 2S 0.00267 -0.00601 0.00455 -0.00836 0.00393 133 2PX 0.00846 -0.01993 0.00441 -0.03252 -0.01728 134 2PY -0.00291 0.00391 -0.01972 -0.00430 -0.02303 135 2PZ 0.00020 0.00109 -0.00781 0.00453 -0.04176 136 3S 0.00258 -0.00694 0.02242 -0.00960 -0.00002 137 3PX 0.00584 -0.01408 -0.00008 -0.02845 -0.01537 138 3PY -0.00200 0.00274 -0.01714 -0.00476 -0.02013 139 3PZ 0.00023 0.00037 -0.00457 0.00426 -0.03812 140 4XX -0.00024 0.00039 -0.00122 0.00077 0.00084 141 4YY 0.00043 -0.00070 0.00083 -0.00028 0.00177 142 4ZZ -0.00008 0.00011 -0.00179 -0.00061 -0.00103 143 4XY -0.00062 0.00142 -0.00094 0.00128 0.00156 144 4XZ 0.00045 -0.00107 0.00128 -0.00093 -0.00027 145 4YZ -0.00006 -0.00001 0.00019 0.00007 0.00069 146 15 C 1S -0.00014 0.00014 -0.00016 -0.00013 -0.00064 147 2S 0.00027 -0.00025 0.00214 0.00087 0.00180 148 2PX 0.00034 -0.00040 0.00218 0.00127 0.00510 149 2PY 0.00033 0.00018 0.00162 -0.00001 0.00009 150 2PZ 0.00013 0.00022 0.00060 -0.00007 -0.00094 151 3S 0.00096 -0.00132 -0.00573 -0.00648 -0.00604 152 3PX 0.00001 -0.00054 0.00078 0.00046 0.00242 153 3PY 0.00110 -0.00166 -0.00144 -0.00321 -0.00016 154 3PZ -0.00205 0.00404 -0.00168 0.00108 -0.00068 155 4XX -0.00025 0.00052 -0.00074 -0.00023 0.00019 156 4YY 0.00002 -0.00018 0.00040 0.00010 -0.00011 157 4ZZ 0.00012 -0.00030 0.00083 0.00022 -0.00008 158 4XY -0.00011 0.00026 -0.00042 -0.00007 0.00025 159 4XZ 0.00001 -0.00003 0.00014 0.00002 0.00021 160 4YZ 0.00010 -0.00020 0.00057 0.00020 0.00010 161 16 C 1S -0.00002 0.00010 0.00000 -0.00013 0.00028 162 2S 0.00002 -0.00019 -0.00036 0.00010 -0.00107 163 2PX 0.00063 -0.00199 0.00277 0.00124 0.00017 164 2PY -0.00072 0.00141 -0.00382 -0.00128 -0.00096 165 2PZ -0.00011 0.00060 -0.00097 -0.00032 -0.00170 166 3S 0.00077 -0.00161 0.00084 -0.00004 0.00210 167 3PX 0.00109 -0.00271 0.00510 0.00197 0.00088 168 3PY -0.00011 0.00012 -0.00281 -0.00143 0.00039 169 3PZ -0.00009 0.00055 -0.00104 0.00006 -0.00196 170 4XX -0.00003 0.00008 -0.00019 -0.00011 0.00021 171 4YY 0.00002 -0.00002 -0.00009 -0.00005 -0.00020 172 4ZZ 0.00004 -0.00011 0.00013 0.00007 -0.00013 173 4XY 0.00004 -0.00009 0.00019 0.00009 0.00017 174 4XZ 0.00000 0.00001 -0.00001 -0.00002 -0.00009 175 4YZ 0.00001 0.00002 0.00003 -0.00004 -0.00001 176 17 C 1S -0.00001 -0.00002 -0.00009 0.00001 -0.00013 177 2S 0.00007 -0.00006 0.00028 0.00000 0.00019 178 2PX 0.00013 -0.00025 0.00069 0.00027 -0.00067 179 2PY 0.00002 0.00026 0.00012 -0.00008 0.00111 180 2PZ -0.00011 0.00045 -0.00027 -0.00021 0.00131 181 3S 0.00010 -0.00016 0.00155 0.00101 0.00084 182 3PX 0.00022 -0.00055 0.00034 -0.00001 -0.00114 183 3PY -0.00008 0.00032 0.00033 0.00032 0.00082 184 3PZ 0.00022 -0.00039 0.00034 -0.00033 0.00107 185 4XX 0.00006 -0.00015 0.00032 0.00012 0.00007 186 4YY -0.00003 0.00005 -0.00012 -0.00003 -0.00002 187 4ZZ -0.00002 0.00007 -0.00013 -0.00004 -0.00014 188 4XY -0.00003 0.00005 -0.00012 -0.00004 -0.00005 189 4XZ 0.00001 -0.00002 0.00011 0.00006 0.00003 190 4YZ -0.00003 0.00009 -0.00014 -0.00005 -0.00001 191 18 C 1S -0.00004 0.00008 -0.00008 0.00003 0.00013 192 2S 0.00009 -0.00015 0.00021 -0.00002 -0.00021 193 2PX -0.00029 0.00075 -0.00203 -0.00088 -0.00165 194 2PY 0.00027 -0.00065 0.00131 0.00030 0.00064 195 2PZ 0.00036 -0.00085 0.00211 0.00091 0.00111 196 3S 0.00003 -0.00021 0.00099 0.00040 -0.00037 197 3PX -0.00037 0.00087 -0.00272 -0.00130 -0.00192 198 3PY 0.00008 -0.00031 0.00163 0.00075 0.00066 199 3PZ 0.00058 -0.00138 0.00148 -0.00012 -0.00006 200 4XX 0.00000 0.00000 0.00002 0.00002 -0.00001 201 4YY 0.00000 -0.00001 0.00002 0.00003 -0.00005 202 4ZZ 0.00000 0.00002 -0.00003 -0.00003 0.00008 203 4XY -0.00002 0.00004 -0.00004 -0.00001 0.00006 204 4XZ 0.00001 -0.00002 0.00002 0.00001 -0.00001 205 4YZ -0.00001 0.00002 -0.00001 0.00002 0.00006 206 19 C 1S 0.00004 -0.00010 -0.00001 -0.00016 -0.00028 207 2S -0.00006 0.00017 -0.00019 0.00014 0.00023 208 2PX -0.00018 0.00057 -0.00035 0.00004 0.00089 209 2PY -0.00006 0.00005 0.00017 0.00060 0.00065 210 2PZ -0.00003 -0.00003 0.00018 0.00058 0.00049 211 3S -0.00017 0.00065 0.00345 0.00374 0.00497 212 3PX -0.00027 0.00079 0.00110 0.00123 0.00210 213 3PY -0.00049 0.00089 0.00228 0.00292 0.00240 214 3PZ 0.00011 -0.00020 0.00086 0.00090 0.00179 215 4XX 0.00005 -0.00011 0.00027 0.00009 0.00015 216 4YY -0.00002 0.00006 -0.00019 -0.00009 -0.00013 217 4ZZ -0.00001 0.00004 -0.00008 -0.00001 -0.00002 218 4XY 0.00001 -0.00002 0.00010 0.00006 0.00012 219 4XZ -0.00002 0.00005 -0.00004 0.00002 0.00005 220 4YZ -0.00004 0.00009 -0.00016 -0.00003 -0.00004 221 20 C 1S -0.00010 0.00028 -0.00011 0.00023 0.00043 222 2S 0.00023 -0.00057 0.00016 -0.00054 -0.00047 223 2PX 0.00074 -0.00170 0.00300 0.00031 0.00051 224 2PY -0.00002 -0.00011 -0.00194 -0.00179 -0.00263 225 2PZ -0.00026 0.00073 -0.00162 -0.00061 -0.00167 226 3S -0.00081 0.00090 -0.00133 -0.00164 -0.00566 227 3PX -0.00004 0.00001 0.00626 0.00436 0.00436 228 3PY 0.00055 -0.00088 -0.00170 -0.00240 -0.00236 229 3PZ -0.00142 0.00275 0.00146 0.00400 0.00225 230 4XX -0.00001 0.00002 0.00003 0.00011 0.00014 231 4YY 0.00002 -0.00010 -0.00004 -0.00013 -0.00010 232 4ZZ -0.00002 0.00007 -0.00004 -0.00003 -0.00010 233 4XY -0.00002 0.00005 -0.00019 -0.00009 -0.00011 234 4XZ 0.00000 0.00001 0.00011 0.00010 0.00013 235 4YZ 0.00002 0.00000 0.00005 0.00003 0.00002 236 21 H 1S 0.00017 -0.00057 -0.00047 -0.00084 -0.00109 237 2S -0.00059 0.00084 0.00178 0.00275 0.00310 238 22 H 1S 0.00003 -0.00004 0.00002 -0.00001 -0.00009 239 2S 0.00009 -0.00016 -0.00019 -0.00035 -0.00006 240 23 H 1S -0.00005 0.00012 -0.00011 0.00002 0.00021 241 2S -0.00007 0.00016 -0.00036 -0.00015 0.00013 242 24 H 1S -0.00009 0.00006 -0.00042 -0.00014 -0.00017 243 2S -0.00018 0.00022 -0.00078 -0.00015 -0.00022 244 25 H 1S 0.00020 -0.00049 0.00057 0.00029 -0.00081 245 2S 0.00001 -0.00013 -0.00043 -0.00033 -0.00082 246 26 O 1S 0.00010 -0.00023 0.00064 -0.00028 0.00094 247 2S -0.00001 0.00026 -0.00197 -0.00011 -0.00300 248 2PX 0.00056 0.00010 -0.00091 -0.00032 -0.00429 249 2PY -0.00045 0.00250 -0.00159 0.00076 -0.00069 250 2PZ 0.00048 -0.00108 0.00207 -0.00097 0.00222 251 3S -0.00112 0.00184 0.00074 0.00509 -0.00243 252 3PX 0.00084 -0.00077 0.00093 -0.00014 -0.00287 253 3PY -0.00067 0.00268 -0.00128 0.00161 0.00079 254 3PZ 0.00076 -0.00122 0.00050 -0.00210 0.00034 255 4XX 0.00014 -0.00031 0.00033 -0.00008 0.00007 256 4YY 0.00010 -0.00009 -0.00025 -0.00028 -0.00046 257 4ZZ -0.00009 0.00024 -0.00079 -0.00046 -0.00003 258 4XY -0.00003 0.00000 -0.00021 -0.00016 0.00020 259 4XZ -0.00001 0.00002 0.00007 0.00014 -0.00043 260 4YZ 0.00006 -0.00012 0.00024 0.00004 -0.00008 261 27 H 1S -0.00019 -0.00004 0.00050 -0.00043 0.00275 262 2S -0.00075 0.00150 -0.00273 -0.00136 0.00369 263 28 H 1S 0.00194 -0.00519 0.00680 0.00098 -0.00291 264 2S 0.00309 -0.00713 0.01371 0.00290 -0.01034 51 52 53 54 55 51 3S 0.17144 52 3PX 0.00332 0.08953 53 3PY 0.03516 0.03259 0.13245 54 3PZ -0.01515 0.02672 -0.00245 0.14329 55 4XX 0.00287 -0.00316 -0.00888 0.00287 0.00144 56 4YY 0.00970 0.00419 0.01565 -0.00815 -0.00129 57 4ZZ -0.00606 -0.00015 -0.00094 0.00343 -0.00034 58 4XY 0.00012 -0.00710 0.00317 -0.00116 0.00000 59 4XZ -0.00521 0.00260 0.00251 -0.00064 -0.00015 60 4YZ -0.00434 -0.00142 -0.00764 -0.00513 0.00019 61 5 C 1S -0.00742 -0.00877 0.01732 -0.00032 -0.00322 62 2S 0.04023 0.02129 -0.04736 0.00178 0.00457 63 2PX -0.05827 -0.04753 0.04027 0.07067 0.00470 64 2PY 0.06500 0.06183 -0.05468 0.01656 0.00983 65 2PZ 0.01190 0.06358 0.02816 0.11071 0.00351 66 3S 0.02141 0.01149 -0.02865 0.00348 0.00297 67 3PX -0.02056 -0.01909 -0.00116 0.05418 0.00556 68 3PY 0.00392 0.01379 -0.03662 0.02501 0.00552 69 3PZ 0.00882 0.04885 0.03413 0.08635 0.00297 70 4XX 0.00333 -0.00425 -0.00800 -0.00257 0.00095 71 4YY 0.00041 0.00340 0.00666 -0.00029 -0.00082 72 4ZZ -0.00218 -0.00027 0.00111 0.00343 0.00015 73 4XY -0.00752 -0.00481 0.00120 0.00251 -0.00012 74 4XZ -0.00070 -0.00063 0.00239 -0.00742 -0.00060 75 4YZ 0.00190 0.00405 -0.00016 0.00495 -0.00018 76 6 C 1S 0.00813 0.00292 -0.00952 0.00063 0.00156 77 2S -0.02920 -0.00602 0.02855 -0.00316 -0.00305 78 2PX 0.01157 0.00355 -0.00042 -0.00725 0.00203 79 2PY -0.01025 -0.01709 0.02338 -0.00008 -0.00395 80 2PZ 0.00516 -0.00941 -0.00943 -0.00756 0.00786 81 3S -0.02972 -0.00592 0.01303 -0.00036 -0.00178 82 3PX 0.00583 0.00154 0.00685 -0.01091 0.00113 83 3PY -0.00628 -0.01311 0.00503 -0.00060 -0.00080 84 3PZ 0.00635 -0.01215 -0.01066 -0.01406 0.00640 85 4XX -0.00126 0.00162 0.00090 0.00266 0.00016 86 4YY 0.00056 0.00133 -0.00065 0.00249 -0.00001 87 4ZZ 0.00044 -0.00240 -0.00141 -0.00511 -0.00003 88 4XY -0.00115 -0.00143 0.00192 0.00457 0.00010 89 4XZ 0.00112 0.00161 0.00007 0.00255 -0.00009 90 4YZ 0.00059 0.00353 0.00115 0.00558 0.00034 91 7 C 1S 0.00629 -0.00063 -0.00357 0.00113 -0.00031 92 2S -0.00388 0.00185 0.00032 -0.00095 0.00070 93 2PX -0.01061 -0.02738 -0.00597 -0.03184 0.00046 94 2PY -0.03238 -0.00202 0.01484 -0.02414 0.00020 95 2PZ 0.01489 -0.03271 -0.02500 -0.08703 0.00010 96 3S 0.00276 0.00467 0.01727 -0.00480 -0.00055 97 3PX -0.00501 -0.02569 -0.00829 -0.03113 0.00041 98 3PY -0.01357 -0.00371 0.01382 -0.02240 -0.00023 99 3PZ 0.00860 -0.03161 -0.02313 -0.08260 0.00020 100 4XX -0.00064 -0.00028 0.00069 0.00045 0.00045 101 4YY 0.00149 0.00011 -0.00072 -0.00053 -0.00023 102 4ZZ -0.00037 0.00014 0.00016 0.00009 -0.00031 103 4XY 0.00017 -0.00131 -0.00010 -0.00005 -0.00003 104 4XZ 0.00086 0.00026 -0.00039 0.00075 0.00036 105 4YZ -0.00049 -0.00012 -0.00014 -0.00181 -0.00005 106 8 C 1S 0.00761 -0.00291 -0.00867 0.00285 0.00113 107 2S -0.02611 0.00724 0.02478 -0.00814 -0.00225 108 2PX -0.00837 0.01246 -0.00489 -0.01981 -0.00280 109 2PY -0.02348 0.01404 0.01227 -0.01430 -0.00536 110 2PZ 0.00122 -0.01691 -0.00547 -0.02946 -0.00567 111 3S -0.03017 0.00932 0.01706 -0.00101 -0.00185 112 3PX -0.00753 0.00487 -0.01822 -0.01714 -0.00163 113 3PY -0.00864 0.01123 0.00999 -0.01098 -0.00332 114 3PZ -0.00059 -0.01548 -0.00132 -0.03531 -0.00504 115 4XX -0.00028 -0.00265 0.00005 -0.00142 0.00008 116 4YY -0.00099 0.00273 0.00013 0.00210 -0.00024 117 4ZZ 0.00097 -0.00124 -0.00070 -0.00004 0.00025 118 4XY 0.00118 -0.00235 -0.00035 0.00392 -0.00003 119 4XZ 0.00015 0.00051 -0.00078 -0.00337 -0.00010 120 4YZ -0.00084 0.00436 0.00225 0.00627 -0.00039 121 9 H 1S 0.00126 -0.01775 0.00477 0.00570 0.00067 122 2S 0.00794 -0.01909 -0.01077 0.00922 0.00185 123 10 H 1S 0.01962 -0.00098 -0.00975 0.00273 -0.00047 124 2S 0.01241 -0.00123 -0.00168 0.00085 -0.00127 125 11 H 1S -0.00076 0.01215 -0.00143 -0.00491 0.00064 126 2S 0.00519 0.01334 -0.01354 -0.00312 0.00146 127 12 H 1S -0.00717 -0.02914 -0.02334 0.01649 0.00618 128 2S -0.00784 -0.02859 -0.00824 0.01307 0.00393 129 13 H 1S 0.09697 0.02887 0.15023 -0.04380 -0.00892 130 2S 0.02612 0.00731 0.08584 -0.02304 -0.00645 131 14 O 1S 0.00071 0.00699 0.00474 -0.00469 -0.00010 132 2S -0.00110 -0.01611 -0.01082 0.01137 0.00025 133 2PX -0.03426 -0.08801 -0.00975 0.01791 0.00123 134 2PY 0.05818 -0.03849 -0.03666 0.00100 0.00235 135 2PZ 0.00585 0.03287 0.00107 -0.03567 0.00008 136 3S 0.00709 -0.01875 -0.01692 0.01466 -0.00018 137 3PX -0.02617 -0.07025 -0.00747 0.01151 0.00072 138 3PY 0.03741 -0.02423 -0.02548 -0.00382 0.00223 139 3PZ 0.00827 0.02232 -0.00196 -0.02992 0.00061 140 4XX 0.00139 -0.00124 -0.00013 0.00086 0.00002 141 4YY -0.00408 0.00259 0.00169 -0.00007 -0.00001 142 4ZZ 0.00129 -0.00104 -0.00090 -0.00034 0.00004 143 4XY 0.00136 0.00325 0.00098 -0.00046 -0.00012 144 4XZ -0.00127 -0.00123 -0.00051 0.00069 0.00005 145 4YZ 0.00122 -0.00158 -0.00078 0.00094 0.00007 146 15 C 1S -0.00449 -0.00186 0.00247 -0.00051 0.00002 147 2S -0.00002 0.00511 -0.00005 0.00020 -0.00025 148 2PX 0.00183 0.00686 -0.00072 0.00456 -0.00010 149 2PY -0.01331 0.00321 0.00810 -0.00270 0.00004 150 2PZ -0.00628 0.00151 0.00431 -0.00277 0.00000 151 3S -0.00350 -0.00458 -0.00198 -0.00413 0.00074 152 3PX 0.00657 0.00929 -0.00470 0.00203 0.00062 153 3PY -0.01030 -0.00435 0.00376 -0.00103 -0.00016 154 3PZ 0.00054 0.00675 0.00229 -0.00452 0.00038 155 4XX -0.00078 -0.00080 0.00073 -0.00007 -0.00004 156 4YY 0.00085 0.00033 -0.00062 0.00001 0.00000 157 4ZZ -0.00039 0.00098 0.00015 -0.00008 -0.00002 158 4XY -0.00020 -0.00025 0.00027 0.00008 -0.00002 159 4XZ -0.00025 0.00046 0.00015 0.00004 -0.00002 160 4YZ -0.00002 0.00084 -0.00005 0.00007 0.00002 161 16 C 1S -0.00129 0.00123 -0.00045 -0.00019 -0.00003 162 2S 0.00325 -0.00170 -0.00099 -0.00043 -0.00003 163 2PX 0.01191 0.00336 -0.00766 0.00176 -0.00004 164 2PY 0.00228 -0.00484 -0.00174 -0.00073 -0.00005 165 2PZ -0.00730 -0.00279 0.00571 -0.00231 0.00002 166 3S -0.00059 -0.00226 0.00050 0.00232 -0.00005 167 3PX 0.00703 0.00301 -0.00466 0.00262 -0.00023 168 3PY -0.00107 -0.00585 -0.00030 0.00078 -0.00022 169 3PZ -0.00665 -0.00370 0.00540 -0.00194 -0.00011 170 4XX -0.00011 -0.00004 0.00002 0.00019 0.00000 171 4YY -0.00002 -0.00018 -0.00003 -0.00025 -0.00002 172 4ZZ 0.00022 0.00000 -0.00010 -0.00005 -0.00001 173 4XY 0.00026 0.00028 -0.00019 0.00020 -0.00002 174 4XZ -0.00040 -0.00011 0.00032 -0.00013 0.00000 175 4YZ -0.00049 0.00005 0.00026 -0.00009 0.00000 176 17 C 1S 0.00059 -0.00027 -0.00033 -0.00002 0.00000 177 2S -0.00106 0.00057 0.00052 0.00006 -0.00001 178 2PX -0.00078 -0.00011 0.00124 -0.00108 -0.00004 179 2PY -0.00379 0.00095 0.00219 0.00079 0.00005 180 2PZ -0.00278 0.00039 0.00183 0.00111 0.00007 181 3S -0.00047 0.00092 0.00082 0.00084 -0.00024 182 3PX -0.00016 -0.00101 0.00021 -0.00110 -0.00013 183 3PY -0.00214 0.00094 0.00173 0.00068 0.00001 184 3PZ -0.00146 0.00009 0.00014 0.00140 -0.00001 185 4XX 0.00051 0.00043 -0.00036 0.00015 0.00000 186 4YY 0.00012 -0.00015 -0.00010 0.00001 0.00000 187 4ZZ -0.00055 -0.00029 0.00043 -0.00020 0.00000 188 4XY 0.00003 -0.00021 0.00002 -0.00005 0.00000 189 4XZ -0.00010 0.00018 0.00008 0.00002 0.00000 190 4YZ -0.00042 -0.00020 0.00031 -0.00007 0.00000 191 18 C 1S 0.00006 0.00006 0.00002 0.00004 0.00000 192 2S -0.00023 -0.00005 0.00008 -0.00011 -0.00001 193 2PX -0.00365 -0.00423 0.00303 -0.00209 -0.00001 194 2PY 0.00222 0.00176 -0.00191 0.00121 0.00004 195 2PZ 0.00315 0.00422 -0.00291 0.00153 -0.00002 196 3S 0.00076 0.00198 -0.00072 -0.00040 0.00010 197 3PX -0.00342 -0.00450 0.00248 -0.00222 0.00009 198 3PY 0.00301 0.00341 -0.00213 0.00093 0.00009 199 3PZ 0.00243 0.00217 -0.00312 0.00105 0.00005 200 4XX -0.00010 -0.00003 0.00012 -0.00003 0.00000 201 4YY 0.00028 0.00005 -0.00017 -0.00004 0.00000 202 4ZZ -0.00020 0.00001 0.00008 0.00008 0.00000 203 4XY -0.00016 -0.00001 0.00015 0.00004 0.00000 204 4XZ 0.00006 0.00005 -0.00005 -0.00002 0.00000 205 4YZ 0.00003 0.00007 -0.00001 0.00004 0.00000 206 19 C 1S -0.00011 -0.00041 -0.00019 -0.00006 0.00001 207 2S 0.00016 0.00049 0.00027 -0.00003 0.00003 208 2PX -0.00290 -0.00022 0.00285 0.00047 -0.00001 209 2PY 0.00252 0.00217 -0.00172 0.00029 -0.00004 210 2PZ 0.00360 0.00166 -0.00214 0.00042 -0.00002 211 3S -0.00019 0.00630 0.00288 0.00181 -0.00051 212 3PX -0.00295 0.00201 0.00349 0.00065 -0.00016 213 3PY 0.00385 0.00681 -0.00079 0.00050 -0.00007 214 3PZ 0.00195 0.00151 -0.00087 0.00114 -0.00025 215 4XX 0.00021 0.00037 -0.00016 0.00022 0.00000 216 4YY -0.00018 -0.00038 0.00014 -0.00013 0.00000 217 4ZZ -0.00004 -0.00003 0.00001 -0.00007 0.00000 218 4XY 0.00024 0.00019 -0.00014 0.00013 0.00000 219 4XZ -0.00012 -0.00002 0.00015 -0.00004 -0.00001 220 4YZ -0.00007 -0.00018 0.00011 -0.00009 0.00000 221 20 C 1S -0.00147 0.00016 0.00150 -0.00031 0.00001 222 2S 0.00161 -0.00123 -0.00193 0.00072 -0.00009 223 2PX 0.00128 0.00233 -0.00201 0.00216 0.00000 224 2PY 0.00066 -0.00542 -0.00180 -0.00108 0.00006 225 2PZ -0.00338 -0.00207 0.00203 -0.00298 -0.00004 226 3S 0.00430 0.00125 -0.00366 -0.00356 0.00063 227 3PX 0.00251 0.01016 0.00052 0.00258 -0.00032 228 3PY -0.00319 -0.00758 0.00048 -0.00072 -0.00028 229 3PZ 0.00273 0.00777 0.00180 -0.00166 -0.00003 230 4XX 0.00028 0.00030 -0.00014 0.00008 -0.00001 231 4YY 0.00047 -0.00044 -0.00043 0.00020 0.00000 232 4ZZ -0.00051 -0.00010 0.00035 -0.00020 0.00000 233 4XY -0.00010 -0.00025 0.00005 -0.00010 0.00000 234 4XZ 0.00009 0.00039 -0.00001 0.00006 0.00000 235 4YZ -0.00045 0.00014 0.00035 -0.00007 0.00001 236 21 H 1S 0.00273 -0.00250 -0.00283 0.00065 0.00001 237 2S 0.00634 0.00431 -0.00259 0.00207 0.00004 238 22 H 1S -0.00057 0.00008 0.00021 -0.00027 -0.00001 239 2S -0.00113 -0.00083 0.00039 -0.00011 -0.00007 240 23 H 1S -0.00030 0.00013 0.00032 0.00008 0.00000 241 2S -0.00036 0.00009 0.00025 -0.00001 0.00004 242 24 H 1S 0.00182 -0.00058 -0.00125 0.00008 0.00000 243 2S 0.00195 -0.00102 -0.00113 0.00003 0.00001 244 25 H 1S 0.00027 -0.00069 0.00081 -0.00047 0.00002 245 2S 0.00150 -0.00155 -0.00073 -0.00031 0.00002 246 26 O 1S -0.00119 -0.00213 0.00086 0.00176 -0.00025 247 2S 0.00207 0.00277 -0.00185 -0.00409 0.00055 248 2PX 0.01387 0.01077 -0.01110 -0.00806 0.00097 249 2PY -0.02110 0.00650 0.01540 -0.00860 -0.00039 250 2PZ -0.00243 -0.00679 -0.00101 0.00336 0.00011 251 3S 0.01157 0.02030 -0.00477 -0.00709 0.00125 252 3PX 0.00881 0.00898 -0.00781 -0.00584 0.00062 253 3PY -0.01615 0.00707 0.01291 -0.00637 -0.00034 254 3PZ -0.00300 -0.00814 -0.00095 0.00201 0.00003 255 4XX -0.00122 -0.00105 0.00062 0.00054 -0.00005 256 4YY -0.00032 -0.00036 -0.00005 -0.00044 0.00004 257 4ZZ -0.00020 -0.00136 0.00008 0.00013 0.00001 258 4XY 0.00115 -0.00049 -0.00083 0.00044 0.00003 259 4XZ 0.00026 0.00125 -0.00003 -0.00057 0.00004 260 4YZ 0.00003 0.00015 -0.00014 -0.00003 0.00001 261 27 H 1S -0.00669 -0.00758 0.00425 0.00415 -0.00043 262 2S -0.00362 -0.00894 0.00283 0.00389 -0.00057 263 28 H 1S 0.00826 0.00323 -0.00876 0.00080 0.00077 264 2S 0.01105 0.01058 -0.01114 -0.00381 0.00103 56 57 58 59 60 56 4YY 0.00283 57 4ZZ -0.00054 0.00064 58 4XY 0.00002 0.00011 0.00149 59 4XZ 0.00032 -0.00026 -0.00020 0.00097 60 4YZ -0.00065 0.00009 -0.00044 -0.00011 0.00090 61 5 C 1S -0.00119 0.00148 0.00606 0.00090 -0.00185 62 2S 0.00090 -0.00356 -0.01161 -0.00118 0.00378 63 2PX -0.00737 0.00381 0.01190 0.00122 -0.00659 64 2PY -0.00815 -0.00306 -0.00807 -0.00211 0.00232 65 2PZ 0.00072 -0.00446 -0.00543 0.00963 -0.00879 66 3S 0.00084 -0.00263 -0.00923 -0.00030 0.00283 67 3PX -0.00624 0.00104 0.00445 0.00078 -0.00326 68 3PY -0.00637 -0.00078 -0.00326 0.00004 0.00113 69 3PZ 0.00078 -0.00362 -0.00263 0.00784 -0.00746 70 4XX -0.00096 -0.00008 0.00004 -0.00064 0.00053 71 4YY 0.00120 -0.00006 -0.00034 0.00025 -0.00022 72 4ZZ -0.00035 0.00012 0.00033 0.00019 -0.00033 73 4XY -0.00043 0.00052 0.00074 -0.00015 -0.00003 74 4XZ 0.00073 -0.00011 0.00019 0.00023 0.00016 75 4YZ -0.00017 0.00024 -0.00028 -0.00035 0.00001 76 6 C 1S -0.00155 0.00019 0.00015 -0.00078 0.00030 77 2S 0.00372 -0.00020 -0.00027 0.00161 -0.00072 78 2PX -0.00045 -0.00195 0.00069 0.00337 -0.00206 79 2PY 0.00894 -0.00194 -0.00229 0.00453 -0.00221 80 2PZ -0.00332 -0.00475 0.00063 0.00651 -0.00402 81 3S 0.00125 0.00044 0.00000 0.00122 -0.00001 82 3PX 0.00069 -0.00211 0.00053 0.00313 -0.00170 83 3PY 0.00296 -0.00087 -0.00010 0.00237 -0.00116 84 3PZ -0.00190 -0.00439 0.00059 0.00558 -0.00266 85 4XX -0.00038 0.00010 0.00020 -0.00011 -0.00002 86 4YY 0.00022 -0.00018 -0.00045 0.00026 -0.00008 87 4ZZ -0.00002 0.00007 0.00015 -0.00018 0.00018 88 4XY 0.00003 0.00005 0.00025 0.00013 -0.00033 89 4XZ 0.00011 -0.00002 -0.00015 0.00001 0.00002 90 4YZ -0.00029 -0.00014 -0.00009 0.00035 -0.00039 91 7 C 1S 0.00021 -0.00016 0.00003 0.00005 -0.00014 92 2S -0.00072 0.00014 -0.00016 -0.00027 0.00032 93 2PX -0.00072 0.00018 0.00203 -0.00058 -0.00025 94 2PY -0.00019 -0.00004 -0.00033 0.00016 0.00057 95 2PZ 0.00087 -0.00074 -0.00034 0.00021 0.00103 96 3S 0.00147 -0.00038 0.00010 0.00076 -0.00050 97 3PX -0.00064 0.00006 0.00149 -0.00056 0.00038 98 3PY 0.00041 -0.00038 -0.00012 0.00043 0.00038 99 3PZ 0.00098 -0.00091 0.00021 0.00002 0.00158 100 4XX -0.00025 -0.00029 -0.00001 0.00034 -0.00008 101 4YY 0.00033 0.00002 0.00008 0.00004 -0.00015 102 4ZZ 0.00003 0.00026 -0.00005 -0.00034 0.00018 103 4XY 0.00010 -0.00004 -0.00005 0.00010 -0.00007 104 4XZ 0.00002 -0.00033 0.00010 0.00044 -0.00021 105 4YZ -0.00015 0.00015 -0.00006 -0.00017 0.00003 106 8 C 1S -0.00092 -0.00004 -0.00094 -0.00037 0.00064 107 2S 0.00240 0.00026 0.00187 0.00071 -0.00140 108 2PX 0.00120 0.00269 0.00074 -0.00327 -0.00036 109 2PY 0.00571 0.00188 0.00512 -0.00065 -0.00369 110 2PZ -0.00142 0.00599 -0.00357 -0.00698 0.00266 111 3S 0.00074 0.00104 0.00131 0.00036 -0.00069 112 3PX -0.00060 0.00259 0.00010 -0.00305 0.00101 113 3PY 0.00350 0.00107 0.00167 -0.00025 -0.00147 114 3PZ 0.00019 0.00435 -0.00177 -0.00561 0.00220 115 4XX -0.00028 0.00004 -0.00022 -0.00008 0.00018 116 4YY 0.00015 0.00020 0.00017 -0.00016 -0.00022 117 4ZZ -0.00007 -0.00021 0.00006 0.00016 0.00009 118 4XY -0.00027 0.00021 0.00025 -0.00035 -0.00018 119 4XZ 0.00018 0.00001 -0.00001 0.00004 -0.00001 120 4YZ -0.00004 0.00041 -0.00042 -0.00024 -0.00005 121 9 H 1S -0.00194 -0.00005 -0.00104 -0.00021 0.00097 122 2S -0.00298 0.00005 -0.00037 -0.00089 0.00096 123 10 H 1S 0.00096 -0.00010 0.00016 0.00013 -0.00040 124 2S 0.00192 -0.00018 0.00039 0.00052 -0.00075 125 11 H 1S -0.00213 0.00007 0.00019 -0.00030 0.00046 126 2S -0.00269 -0.00007 -0.00077 -0.00058 0.00099 127 12 H 1S -0.00680 0.00140 0.00215 -0.00333 0.00092 128 2S -0.00523 0.00151 0.00403 -0.00262 -0.00023 129 13 H 1S 0.02197 -0.00386 0.00344 0.00115 -0.00811 130 2S 0.01252 -0.00132 0.00269 0.00211 -0.00457 131 14 O 1S 0.00003 -0.00013 0.00019 0.00001 0.00005 132 2S -0.00024 0.00029 -0.00036 0.00000 -0.00013 133 2PX 0.00035 -0.00120 -0.00189 0.00122 0.00035 134 2PY -0.00117 -0.00097 0.00088 -0.00092 0.00118 135 2PZ 0.00138 -0.00094 0.00111 0.00028 0.00139 136 3S -0.00004 0.00053 -0.00110 -0.00027 0.00007 137 3PX 0.00044 -0.00111 -0.00081 0.00128 0.00007 138 3PY -0.00095 -0.00108 0.00058 -0.00030 0.00101 139 3PZ 0.00109 -0.00115 0.00069 0.00052 0.00120 140 4XX 0.00000 0.00000 0.00007 -0.00003 -0.00006 141 4YY -0.00006 0.00003 -0.00009 0.00011 -0.00004 142 4ZZ -0.00001 -0.00002 0.00011 -0.00005 0.00004 143 4XY 0.00003 0.00005 0.00019 -0.00001 -0.00011 144 4XZ -0.00005 0.00001 -0.00015 0.00000 0.00006 145 4YZ -0.00006 -0.00001 -0.00003 0.00001 -0.00003 146 15 C 1S -0.00005 -0.00010 0.00014 0.00005 -0.00007 147 2S 0.00000 0.00039 -0.00031 -0.00033 0.00016 148 2PX -0.00008 0.00051 -0.00034 -0.00053 0.00015 149 2PY -0.00019 0.00009 -0.00027 0.00004 0.00022 150 2PZ -0.00006 -0.00001 -0.00014 0.00010 0.00013 151 3S -0.00003 -0.00054 0.00017 0.00063 0.00021 152 3PX -0.00027 0.00004 -0.00023 -0.00014 0.00019 153 3PY -0.00018 0.00018 -0.00007 0.00005 0.00020 154 3PZ -0.00014 -0.00022 0.00003 0.00013 0.00008 155 4XX 0.00001 -0.00001 0.00006 0.00003 -0.00003 156 4YY 0.00001 0.00002 -0.00003 -0.00003 0.00001 157 4ZZ -0.00001 0.00004 -0.00006 -0.00004 0.00003 158 4XY 0.00000 0.00001 0.00003 0.00000 -0.00001 159 4XZ -0.00001 0.00003 -0.00002 -0.00003 0.00001 160 4YZ -0.00002 0.00002 -0.00006 -0.00002 0.00003 161 16 C 1S -0.00003 0.00000 -0.00003 0.00000 0.00002 162 2S 0.00011 0.00001 0.00009 -0.00003 -0.00004 163 2PX 0.00013 0.00017 -0.00011 -0.00030 0.00000 164 2PY 0.00009 -0.00021 0.00029 0.00024 -0.00015 165 2PZ 0.00005 -0.00016 0.00017 0.00027 -0.00005 166 3S -0.00003 0.00008 0.00003 0.00013 -0.00005 167 3PX 0.00019 0.00024 -0.00021 -0.00028 -0.00003 168 3PY 0.00002 0.00004 0.00018 0.00001 -0.00010 169 3PZ 0.00017 -0.00016 0.00023 0.00025 -0.00013 170 4XX -0.00002 0.00001 -0.00001 -0.00002 0.00001 171 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 172 4ZZ 0.00001 0.00001 0.00000 -0.00002 0.00000 173 4XY 0.00000 0.00003 -0.00002 -0.00003 0.00001 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00001 176 17 C 1S 0.00002 -0.00002 0.00002 0.00001 -0.00002 177 2S -0.00003 0.00004 -0.00006 -0.00003 0.00004 178 2PX 0.00002 0.00005 -0.00003 -0.00006 0.00003 179 2PY -0.00010 0.00005 -0.00010 -0.00002 0.00006 180 2PZ -0.00012 0.00004 -0.00009 -0.00002 0.00006 181 3S 0.00010 0.00016 -0.00007 -0.00019 -0.00005 182 3PX 0.00009 0.00005 0.00003 -0.00007 -0.00001 183 3PY 0.00000 0.00001 -0.00003 0.00000 -0.00002 184 3PZ -0.00008 0.00010 -0.00012 -0.00008 0.00006 185 4XX 0.00000 0.00002 -0.00002 -0.00003 0.00001 186 4YY 0.00000 -0.00001 0.00001 0.00001 -0.00001 187 4ZZ 0.00000 -0.00001 0.00001 0.00002 -0.00001 188 4XY 0.00000 -0.00001 0.00001 0.00001 -0.00001 189 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 190 4YZ 0.00000 -0.00001 0.00001 0.00001 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00001 0.00000 -0.00001 0.00000 0.00001 193 2PX 0.00003 -0.00014 0.00018 0.00018 -0.00006 194 2PY -0.00002 0.00009 -0.00014 -0.00012 0.00007 195 2PZ 0.00000 0.00012 -0.00016 -0.00014 0.00005 196 3S -0.00008 0.00003 -0.00013 -0.00005 0.00011 197 3PX -0.00001 -0.00021 0.00020 0.00025 -0.00004 198 3PY -0.00006 0.00007 -0.00016 -0.00012 0.00009 199 3PZ -0.00002 0.00007 -0.00015 -0.00009 0.00009 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 202 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 203 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 -0.00001 0.00000 0.00001 0.00000 207 2S -0.00001 0.00000 0.00000 0.00001 0.00000 208 2PX -0.00008 0.00004 -0.00003 -0.00002 0.00001 209 2PY 0.00004 0.00001 0.00003 -0.00002 -0.00005 210 2PZ 0.00006 0.00001 0.00002 -0.00003 -0.00004 211 3S 0.00009 0.00047 -0.00014 -0.00042 -0.00010 212 3PX -0.00006 0.00019 -0.00010 -0.00016 0.00001 213 3PY -0.00002 0.00016 -0.00012 -0.00020 0.00000 214 3PZ 0.00013 0.00017 0.00002 -0.00015 -0.00009 215 4XX -0.00001 0.00002 -0.00002 -0.00002 0.00001 216 4YY 0.00000 -0.00001 0.00002 0.00001 -0.00001 217 4ZZ 0.00000 -0.00001 0.00001 0.00001 -0.00001 218 4XY 0.00000 0.00001 -0.00001 -0.00001 0.00000 219 4XZ 0.00000 0.00000 0.00001 0.00000 -0.00001 220 4YZ 0.00000 -0.00001 0.00001 0.00001 -0.00001 221 20 C 1S -0.00003 -0.00001 0.00002 0.00002 0.00001 222 2S 0.00004 0.00006 -0.00004 -0.00008 0.00001 223 2PX -0.00006 0.00022 -0.00031 -0.00028 0.00016 224 2PY 0.00009 -0.00020 0.00015 0.00017 -0.00003 225 2PZ 0.00005 -0.00016 0.00019 0.00023 -0.00005 226 3S 0.00003 -0.00056 0.00007 0.00039 0.00007 227 3PX -0.00001 0.00049 -0.00042 -0.00054 0.00006 228 3PY 0.00027 -0.00009 0.00021 0.00015 -0.00013 229 3PZ -0.00004 0.00005 0.00001 -0.00010 -0.00007 230 4XX 0.00000 0.00001 0.00000 -0.00001 0.00000 231 4YY 0.00000 0.00000 0.00000 -0.00002 0.00000 232 4ZZ -0.00001 -0.00001 0.00000 0.00001 0.00001 233 4XY 0.00000 -0.00001 0.00001 0.00002 0.00000 234 4XZ 0.00000 0.00002 -0.00001 -0.00002 0.00001 235 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00001 236 21 H 1S 0.00005 -0.00004 0.00001 -0.00002 0.00000 237 2S -0.00018 0.00018 -0.00017 -0.00027 0.00003 238 22 H 1S 0.00000 -0.00001 0.00001 0.00001 0.00000 239 2S 0.00004 0.00001 0.00004 0.00001 -0.00003 240 23 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 241 2S -0.00004 -0.00001 0.00000 0.00002 0.00001 242 24 H 1S 0.00002 -0.00003 0.00004 0.00001 -0.00003 243 2S 0.00005 -0.00007 0.00009 0.00004 -0.00006 244 25 H 1S 0.00005 -0.00001 0.00005 0.00000 -0.00002 245 2S 0.00000 0.00001 0.00005 -0.00006 0.00000 246 26 O 1S -0.00005 0.00016 -0.00008 -0.00015 0.00001 247 2S 0.00012 -0.00043 0.00020 0.00047 -0.00003 248 2PX 0.00019 -0.00032 -0.00042 0.00073 0.00046 249 2PY 0.00001 0.00015 0.00009 0.00012 0.00019 250 2PZ -0.00004 0.00032 -0.00009 -0.00036 0.00006 251 3S 0.00017 -0.00072 0.00010 0.00068 0.00001 252 3PX 0.00009 -0.00007 -0.00047 0.00036 0.00044 253 3PY 0.00000 0.00017 0.00007 0.00006 0.00013 254 3PZ 0.00000 0.00021 -0.00006 -0.00016 0.00007 255 4XX -0.00001 0.00003 0.00001 -0.00005 -0.00002 256 4YY 0.00000 -0.00004 0.00000 0.00006 0.00001 257 4ZZ 0.00001 -0.00004 0.00007 0.00006 -0.00003 258 4XY 0.00001 -0.00001 0.00001 0.00001 -0.00002 259 4XZ 0.00000 -0.00005 -0.00002 0.00005 0.00002 260 4YZ 0.00000 0.00002 -0.00002 -0.00002 0.00001 261 27 H 1S -0.00004 0.00029 0.00018 -0.00044 -0.00018 262 2S -0.00002 0.00038 0.00022 -0.00046 -0.00016 263 28 H 1S -0.00028 -0.00022 -0.00065 -0.00001 0.00026 264 2S -0.00022 -0.00039 -0.00114 0.00022 0.00069 61 62 63 64 65 61 5 C 1S 2.05986 62 2S -0.09482 0.29474 63 2PX 0.00047 -0.00433 0.38331 64 2PY -0.00042 -0.00143 -0.00990 0.39646 65 2PZ -0.00013 0.00209 -0.03623 -0.01845 0.31133 66 3S -0.14466 0.21971 0.00640 0.01285 -0.00199 67 3PX -0.01160 0.03326 0.20414 0.02164 0.00653 68 3PY -0.00439 0.01202 0.02410 0.14681 0.00886 69 3PZ 0.00566 -0.01623 0.00651 0.00875 0.22768 70 4XX -0.00787 0.00792 0.00796 0.01643 -0.01406 71 4YY -0.00644 0.00646 -0.00657 -0.01556 0.00509 72 4ZZ -0.00076 -0.00729 0.00702 0.00210 0.00484 73 4XY -0.00040 0.00007 0.01825 -0.01038 -0.00893 74 4XZ 0.00454 -0.00950 -0.01228 -0.00805 -0.00102 75 4YZ 0.00206 -0.00446 -0.00755 0.00737 -0.00051 76 6 C 1S 0.01635 -0.03228 0.00761 0.07347 -0.01861 77 2S -0.03252 0.05770 -0.01488 -0.14840 0.03759 78 2PX -0.00859 0.01805 0.03246 -0.02454 0.06871 79 2PY -0.07333 0.14725 -0.01535 -0.27648 0.10362 80 2PZ 0.01892 -0.03828 0.06695 0.10661 0.13282 81 3S -0.00831 0.03937 0.00301 -0.10975 0.02111 82 3PX 0.00485 -0.01526 -0.00343 -0.00501 0.06175 83 3PY -0.01922 0.05096 0.01490 -0.10429 0.04368 84 3PZ 0.00191 -0.00406 0.05636 0.05261 0.10221 85 4XX 0.00297 -0.00727 0.00325 0.01032 -0.00301 86 4YY -0.00716 0.01218 -0.00361 -0.01205 0.00928 87 4ZZ 0.00109 -0.00279 0.00028 0.00319 -0.00650 88 4XY -0.00174 0.00323 0.01152 -0.00445 0.00228 89 4XZ -0.00037 0.00128 -0.00336 -0.00160 0.00112 90 4YZ 0.00280 -0.00505 0.00222 0.00887 0.01085 91 7 C 1S -0.00336 0.00718 -0.00599 -0.01161 0.00489 92 2S 0.00726 -0.01489 0.01367 0.02776 -0.01181 93 2PX 0.00924 -0.02258 0.01293 0.02789 -0.01716 94 2PY 0.00879 -0.02019 0.00642 0.02519 -0.01077 95 2PZ -0.00572 0.01380 -0.01258 -0.01981 -0.00430 96 3S 0.00780 -0.02693 0.00899 0.02001 -0.00112 97 3PX 0.00542 -0.01254 0.00955 0.01229 -0.02135 98 3PY 0.00683 -0.02112 -0.00464 0.01616 -0.00497 99 3PZ -0.00370 0.00977 -0.01563 -0.01500 -0.01996 100 4XX 0.00125 -0.00243 0.00271 0.00518 0.00566 101 4YY -0.00107 0.00277 -0.00101 -0.00578 0.00170 102 4ZZ -0.00002 0.00018 -0.00280 -0.00183 -0.00625 103 4XY -0.00116 0.00238 -0.00071 -0.00569 0.00353 104 4XZ -0.00039 0.00079 0.00343 0.00091 0.00714 105 4YZ 0.00073 -0.00160 0.00048 0.00370 -0.00215 106 8 C 1S -0.00266 0.00480 -0.00535 -0.00258 0.00293 107 2S 0.00475 -0.01001 0.00986 0.00442 -0.00607 108 2PX 0.00596 -0.01092 -0.00541 0.00607 -0.04373 109 2PY 0.00175 -0.00377 0.00551 -0.02297 -0.01947 110 2PZ -0.00297 0.00560 -0.04430 -0.02058 -0.08443 111 3S 0.00713 -0.00634 0.02623 0.01844 -0.02000 112 3PX 0.00330 -0.00006 -0.00454 0.00071 -0.04875 113 3PY 0.00052 -0.00010 0.00123 -0.01172 -0.01598 114 3PZ -0.00163 0.00027 -0.04323 -0.01984 -0.08087 115 4XX 0.00016 -0.00056 -0.00042 0.00121 -0.00097 116 4YY -0.00029 0.00068 0.00015 -0.00126 -0.00017 117 4ZZ -0.00008 -0.00008 0.00032 0.00002 0.00074 118 4XY 0.00015 -0.00054 0.00059 -0.00134 -0.00029 119 4XZ -0.00021 0.00047 -0.00039 -0.00060 -0.00028 120 4YZ -0.00005 0.00010 -0.00056 0.00078 -0.00026 121 9 H 1S -0.00111 0.00133 -0.00273 -0.00050 0.00005 122 2S -0.00024 0.00133 0.00293 0.00073 -0.00220 123 10 H 1S -0.00664 0.01534 -0.00442 -0.02576 0.00755 124 2S -0.00750 0.01566 -0.01121 -0.04070 0.01402 125 11 H 1S 0.01117 -0.02476 -0.01046 0.04015 -0.00418 126 2S 0.01009 -0.01902 -0.01522 0.06352 -0.00777 127 12 H 1S -0.05779 0.10956 0.21480 0.08045 -0.10777 128 2S -0.01133 0.02459 0.15323 0.05861 -0.07733 129 13 H 1S 0.01124 -0.02439 0.02015 -0.03628 -0.00118 130 2S 0.00886 -0.01655 0.03082 -0.05073 -0.00140 131 14 O 1S 0.00037 -0.00064 0.00122 -0.00123 -0.00021 132 2S -0.00079 0.00129 -0.00109 0.00180 0.00132 133 2PX -0.00250 0.00299 -0.00501 0.00746 0.00648 134 2PY 0.00000 0.00086 0.00048 0.00032 0.00080 135 2PZ -0.00007 0.00092 -0.00033 -0.00101 0.00040 136 3S -0.00187 0.00361 -0.01252 0.01020 -0.00248 137 3PX -0.00133 0.00095 -0.00242 0.00627 0.00561 138 3PY -0.00029 0.00120 0.00179 0.00021 0.00424 139 3PZ -0.00041 0.00162 -0.00104 0.00068 0.00281 140 4XX 0.00012 -0.00027 0.00085 -0.00075 0.00027 141 4YY -0.00005 0.00004 0.00033 0.00005 0.00034 142 4ZZ 0.00000 -0.00008 0.00061 -0.00041 0.00016 143 4XY 0.00019 -0.00036 0.00070 -0.00064 -0.00009 144 4XZ -0.00019 0.00033 -0.00056 0.00063 0.00023 145 4YZ -0.00003 0.00003 -0.00010 0.00003 0.00012 146 15 C 1S -0.00001 -0.00026 0.00012 -0.00002 0.00053 147 2S -0.00014 0.00047 -0.00179 -0.00011 -0.00326 148 2PX -0.00005 0.00046 -0.00141 -0.00016 -0.00378 149 2PY -0.00032 0.00038 -0.00075 0.00078 0.00072 150 2PZ -0.00015 0.00019 -0.00034 0.00043 0.00067 151 3S 0.00013 -0.00013 0.00346 0.00160 0.00586 152 3PX -0.00004 0.00065 0.00099 0.00189 0.00212 153 3PY 0.00020 -0.00112 -0.00003 0.00022 -0.00245 154 3PZ -0.00027 0.00078 0.00053 0.00112 0.00375 155 4XX 0.00005 -0.00019 0.00024 -0.00013 0.00006 156 4YY -0.00004 0.00012 -0.00028 0.00005 -0.00030 157 4ZZ -0.00009 0.00017 -0.00048 0.00006 -0.00042 158 4XY 0.00005 -0.00011 0.00017 -0.00008 -0.00007 159 4XZ -0.00001 0.00002 -0.00011 0.00002 -0.00025 160 4YZ -0.00005 0.00015 -0.00025 0.00012 -0.00009 161 16 C 1S -0.00007 0.00006 -0.00018 0.00006 -0.00005 162 2S 0.00014 -0.00010 0.00002 -0.00044 -0.00086 163 2PX 0.00004 0.00060 -0.00125 -0.00013 -0.00249 164 2PY 0.00024 -0.00075 0.00166 -0.00047 0.00137 165 2PZ 0.00007 -0.00055 0.00113 0.00007 0.00192 166 3S 0.00037 -0.00102 0.00117 0.00037 0.00009 167 3PX -0.00010 0.00058 -0.00173 0.00004 -0.00270 168 3PY 0.00029 -0.00106 0.00085 -0.00072 -0.00157 169 3PZ 0.00008 -0.00042 0.00113 -0.00074 0.00155 170 4XX -0.00001 0.00001 -0.00005 -0.00004 -0.00014 171 4YY 0.00001 -0.00003 -0.00003 -0.00007 -0.00014 172 4ZZ 0.00001 0.00001 -0.00010 -0.00006 -0.00024 173 4XY 0.00000 0.00003 -0.00012 -0.00004 -0.00027 174 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00002 175 4YZ -0.00002 0.00002 -0.00007 0.00002 0.00001 176 17 C 1S 0.00002 -0.00004 0.00010 -0.00003 0.00007 177 2S -0.00005 0.00009 -0.00029 0.00006 -0.00025 178 2PX 0.00001 0.00013 -0.00054 -0.00009 -0.00073 179 2PY -0.00011 0.00007 -0.00013 0.00018 0.00012 180 2PZ -0.00011 0.00007 -0.00003 0.00015 0.00028 181 3S -0.00013 0.00026 -0.00091 -0.00050 -0.00157 182 3PX 0.00005 0.00002 -0.00049 -0.00046 -0.00136 183 3PY -0.00010 0.00012 0.00014 0.00006 0.00054 184 3PZ -0.00009 0.00004 -0.00041 0.00014 -0.00089 185 4XX -0.00001 0.00007 -0.00016 0.00001 -0.00022 186 4YY 0.00001 -0.00002 0.00006 -0.00001 0.00006 187 4ZZ 0.00001 -0.00005 0.00010 0.00000 0.00015 188 4XY 0.00001 -0.00002 0.00006 -0.00002 0.00005 189 4XZ -0.00001 0.00002 -0.00004 0.00001 -0.00002 190 4YZ 0.00000 -0.00003 0.00008 0.00000 0.00013 191 18 C 1S 0.00001 -0.00002 0.00003 -0.00003 -0.00001 192 2S -0.00002 0.00003 -0.00007 0.00003 -0.00001 193 2PX 0.00012 -0.00048 0.00103 -0.00013 0.00129 194 2PY -0.00010 0.00039 -0.00076 0.00017 -0.00077 195 2PZ -0.00011 0.00042 -0.00090 0.00016 -0.00109 196 3S -0.00011 0.00033 -0.00065 0.00048 -0.00019 197 3PX 0.00014 -0.00053 0.00139 0.00008 0.00187 198 3PY -0.00015 0.00054 -0.00089 0.00040 -0.00031 199 3PZ -0.00009 0.00037 -0.00081 0.00026 -0.00107 200 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 201 4YY 0.00001 0.00001 0.00000 0.00000 -0.00001 202 4ZZ -0.00001 0.00000 0.00001 0.00001 0.00003 203 4XY 0.00000 0.00000 0.00001 0.00001 0.00004 204 4XZ 0.00000 0.00000 -0.00001 0.00000 -0.00003 205 4YZ 0.00000 0.00000 0.00001 -0.00001 0.00000 206 19 C 1S -0.00001 0.00002 -0.00002 0.00004 0.00008 207 2S 0.00002 -0.00002 0.00015 -0.00002 0.00011 208 2PX -0.00005 -0.00013 0.00014 0.00000 0.00026 209 2PY 0.00009 -0.00004 0.00010 -0.00017 -0.00041 210 2PZ 0.00010 0.00002 0.00006 -0.00017 -0.00044 211 3S 0.00004 0.00004 -0.00163 -0.00117 -0.00365 212 3PX -0.00009 0.00003 -0.00068 -0.00018 -0.00080 213 3PY -0.00005 0.00045 -0.00092 -0.00005 -0.00085 214 3PZ 0.00014 -0.00016 -0.00039 -0.00071 -0.00198 215 4XX -0.00002 0.00005 -0.00014 0.00002 -0.00014 216 4YY 0.00001 -0.00004 0.00009 -0.00001 0.00011 217 4ZZ 0.00001 -0.00002 0.00005 -0.00002 0.00004 218 4XY 0.00000 0.00002 -0.00006 0.00000 -0.00009 219 4XZ 0.00001 -0.00003 0.00003 -0.00003 -0.00001 220 4YZ 0.00001 -0.00004 0.00008 -0.00002 0.00008 221 20 C 1S 0.00004 -0.00008 0.00010 -0.00007 0.00000 222 2S -0.00005 0.00004 -0.00038 -0.00004 -0.00072 223 2PX -0.00032 0.00074 -0.00175 0.00040 -0.00164 224 2PY 0.00004 -0.00018 0.00074 0.00015 0.00127 225 2PZ 0.00013 -0.00039 0.00087 -0.00014 0.00114 226 3S -0.00046 0.00117 0.00088 0.00186 0.00555 227 3PX -0.00043 0.00118 -0.00329 -0.00029 -0.00336 228 3PY 0.00015 -0.00056 0.00045 -0.00076 -0.00058 229 3PZ -0.00002 0.00035 -0.00016 0.00012 0.00106 230 4XX 0.00001 0.00000 -0.00001 -0.00004 -0.00012 231 4YY 0.00000 0.00000 -0.00004 0.00000 -0.00011 232 4ZZ -0.00001 0.00000 0.00001 0.00004 0.00012 233 4XY 0.00001 -0.00004 0.00010 -0.00001 0.00012 234 4XZ -0.00001 0.00004 -0.00006 0.00000 -0.00010 235 4YZ -0.00001 0.00001 -0.00001 0.00001 0.00002 236 21 H 1S -0.00003 0.00004 0.00002 0.00006 0.00006 237 2S -0.00003 0.00029 -0.00068 0.00026 -0.00043 238 22 H 1S 0.00000 -0.00003 0.00002 -0.00001 0.00002 239 2S 0.00004 -0.00016 0.00006 -0.00017 -0.00033 240 23 H 1S 0.00001 -0.00003 0.00004 -0.00002 0.00001 241 2S 0.00001 -0.00003 0.00013 0.00005 0.00015 242 24 H 1S 0.00003 -0.00005 0.00017 -0.00006 0.00011 243 2S 0.00007 -0.00011 0.00051 -0.00014 0.00046 244 25 H 1S 0.00008 -0.00005 0.00007 -0.00004 -0.00013 245 2S 0.00007 -0.00024 -0.00013 0.00009 -0.00088 246 26 O 1S -0.00008 0.00004 -0.00091 -0.00032 -0.00159 247 2S 0.00018 -0.00015 0.00236 0.00075 0.00411 248 2PX -0.00008 0.00191 0.00078 0.00166 0.00433 249 2PY -0.00003 -0.00077 -0.00097 -0.00140 -0.00331 250 2PZ -0.00029 0.00047 -0.00197 -0.00012 -0.00188 251 3S 0.00014 0.00094 0.00404 0.00239 0.00966 252 3PX -0.00011 0.00151 -0.00090 0.00131 0.00080 253 3PY -0.00002 -0.00062 -0.00053 -0.00142 -0.00212 254 3PZ -0.00021 0.00024 -0.00135 -0.00022 -0.00157 255 4XX -0.00004 -0.00004 -0.00014 -0.00011 -0.00020 256 4YY -0.00002 0.00003 0.00011 0.00005 0.00032 257 4ZZ 0.00005 -0.00017 0.00044 -0.00005 0.00051 258 4XY 0.00003 -0.00002 0.00023 0.00005 0.00032 259 4XZ -0.00002 0.00009 0.00012 0.00017 0.00043 260 4YZ -0.00003 0.00009 -0.00018 0.00002 -0.00014 261 27 H 1S 0.00001 -0.00079 -0.00112 -0.00099 -0.00319 262 2S 0.00022 -0.00098 -0.00086 -0.00197 -0.00481 263 28 H 1S -0.00081 0.00237 -0.00218 0.00220 0.00203 264 2S -0.00148 0.00405 -0.00592 0.00450 0.00380 66 67 68 69 70 66 3S 0.17843 67 3PX 0.02512 0.12482 68 3PY 0.01690 0.02717 0.06526 69 3PZ -0.01076 0.01971 0.01551 0.17522 70 4XX 0.00669 0.00615 0.00679 -0.00959 0.00195 71 4YY 0.00469 -0.00485 -0.00641 0.00270 -0.00111 72 4ZZ -0.00524 0.00376 0.00139 0.00443 -0.00014 73 4XY -0.00013 0.00941 -0.00245 -0.00604 0.00031 74 4XZ -0.00759 -0.00897 -0.00472 -0.00139 -0.00085 75 4YZ -0.00319 -0.00420 0.00186 -0.00008 -0.00008 76 6 C 1S -0.00890 0.00957 0.01674 -0.00744 0.00306 77 2S 0.04187 -0.02774 -0.04306 0.02068 -0.00740 78 2PX 0.02448 -0.00351 -0.00577 0.06074 -0.00382 79 2PY 0.09557 0.01309 -0.09940 0.04455 -0.01065 80 2PZ -0.02907 0.05747 0.05364 0.10245 0.00167 81 3S 0.02583 -0.01307 -0.02947 0.01099 -0.00524 82 3PX -0.00414 -0.01578 0.00107 0.05177 -0.00359 83 3PY 0.02869 0.02251 -0.03581 0.01927 -0.00352 84 3PZ -0.00355 0.04681 0.03038 0.07825 0.00104 85 4XX -0.00512 0.00056 0.00451 -0.00016 0.00030 86 4YY 0.00905 -0.00133 -0.00372 0.00559 -0.00063 87 4ZZ -0.00218 0.00003 0.00031 -0.00530 0.00041 88 4XY 0.00157 0.00914 -0.00082 0.00149 0.00016 89 4XZ 0.00111 -0.00116 -0.00111 0.00089 -0.00017 90 4YZ -0.00320 0.00156 0.00401 0.00949 -0.00024 91 7 C 1S 0.00873 -0.00540 -0.00687 0.00373 -0.00041 92 2S -0.02927 0.01729 0.01689 -0.01119 0.00133 93 2PX -0.01361 0.00716 0.01179 -0.01808 0.00295 94 2PY -0.01361 -0.00546 0.01712 -0.00761 0.00114 95 2PZ 0.00741 -0.01387 -0.01548 -0.02084 0.00038 96 3S -0.02961 0.00733 0.00979 0.00060 -0.00040 97 3PX -0.00575 0.00313 0.00438 -0.01994 0.00238 98 3PY -0.00745 -0.01529 0.00794 -0.00087 0.00007 99 3PZ 0.00298 -0.01348 -0.01199 -0.02956 0.00122 100 4XX -0.00102 0.00133 0.00317 0.00536 0.00005 101 4YY 0.00035 0.00062 -0.00270 0.00002 -0.00027 102 4ZZ 0.00062 -0.00245 -0.00143 -0.00485 0.00005 103 4XY 0.00149 0.00048 -0.00202 0.00152 -0.00023 104 4XZ 0.00065 0.00297 0.00078 0.00599 -0.00008 105 4YZ -0.00052 -0.00089 0.00111 -0.00174 0.00015 106 8 C 1S 0.00380 -0.00112 -0.00184 0.00092 0.00016 107 2S 0.00258 -0.00400 0.00136 0.00051 -0.00058 108 2PX -0.03456 -0.00553 0.00150 -0.04303 0.00044 109 2PY -0.00895 0.00132 -0.01679 -0.01900 -0.00130 110 2PZ 0.01573 -0.04390 -0.02246 -0.08402 0.00085 111 3S 0.00475 0.00824 0.00575 -0.00866 0.00103 112 3PX -0.01905 -0.00221 -0.00198 -0.04602 0.00115 113 3PY -0.00617 0.00038 -0.01021 -0.01513 -0.00077 114 3PZ 0.00794 -0.04154 -0.02018 -0.07589 0.00091 115 4XX 0.00119 -0.00095 0.00063 -0.00112 0.00017 116 4YY -0.00064 0.00045 -0.00082 -0.00044 -0.00018 117 4ZZ 0.00018 0.00054 0.00027 0.00117 0.00009 118 4XY 0.00130 -0.00016 -0.00075 -0.00024 0.00011 119 4XZ -0.00084 -0.00022 -0.00061 -0.00097 -0.00008 120 4YZ -0.00032 -0.00041 0.00032 -0.00028 -0.00025 121 9 H 1S 0.02299 -0.00782 -0.00104 0.00267 0.00071 122 2S 0.00999 0.00255 0.00124 -0.00180 0.00142 123 10 H 1S 0.00109 0.00694 -0.01335 0.00019 -0.00111 124 2S 0.00760 -0.00238 -0.01924 0.00575 -0.00212 125 11 H 1S -0.00863 -0.03342 0.01801 0.01021 -0.00075 126 2S -0.00855 -0.02176 0.02437 0.00345 0.00116 127 12 H 1S 0.09087 0.12906 0.04698 -0.06442 0.01530 128 2S 0.02478 0.08579 0.03169 -0.04312 0.00988 129 13 H 1S -0.01554 -0.01096 -0.03987 0.01215 -0.00593 130 2S -0.00842 0.00228 -0.02772 0.00577 -0.00462 131 14 O 1S -0.00241 0.00031 -0.00467 0.00072 0.00001 132 2S 0.00474 0.00050 0.01007 -0.00098 0.00002 133 2PX 0.05526 -0.01354 0.03978 0.00568 0.00127 134 2PY -0.01293 0.01041 0.01673 -0.00758 0.00041 135 2PZ -0.01910 0.00155 -0.01712 -0.00271 0.00045 136 3S 0.00608 -0.00388 0.01700 -0.00570 -0.00016 137 3PX 0.04194 -0.00972 0.03021 0.00562 0.00129 138 3PY -0.00926 0.00829 0.01047 -0.00198 0.00036 139 3PZ -0.01451 0.00207 -0.01067 -0.00028 0.00025 140 4XX -0.00027 0.00055 0.00015 0.00015 -0.00002 141 4YY 0.00064 -0.00021 -0.00092 0.00089 -0.00003 142 4ZZ -0.00049 0.00045 0.00002 -0.00022 0.00007 143 4XY -0.00224 0.00074 -0.00190 0.00011 -0.00003 144 4XZ 0.00137 -0.00049 0.00112 0.00006 0.00000 145 4YZ 0.00020 0.00022 0.00084 0.00010 -0.00004 146 15 C 1S 0.00469 -0.00114 0.00011 0.00127 0.00003 147 2S -0.00333 -0.00099 -0.00125 -0.00351 -0.00008 148 2PX -0.00420 0.00000 -0.00137 -0.00539 -0.00016 149 2PY 0.00707 -0.00386 -0.00024 0.00197 0.00000 150 2PZ 0.00223 -0.00192 0.00017 0.00143 0.00003 151 3S 0.00061 0.00204 0.00235 0.00486 0.00037 152 3PX -0.00793 0.00394 -0.00123 -0.00036 -0.00017 153 3PY 0.00561 -0.00316 0.00150 -0.00079 0.00024 154 3PZ -0.00255 0.00096 -0.00187 0.00358 -0.00001 155 4XX 0.00063 -0.00021 0.00008 0.00027 0.00004 156 4YY -0.00065 0.00018 -0.00004 -0.00044 -0.00002 157 4ZZ 0.00007 -0.00039 -0.00025 -0.00041 -0.00003 158 4XY 0.00012 -0.00006 -0.00001 -0.00002 0.00002 159 4XZ -0.00012 -0.00010 -0.00009 -0.00026 0.00000 160 4YZ -0.00019 -0.00002 -0.00011 -0.00020 -0.00003 161 16 C 1S 0.00053 -0.00016 -0.00070 0.00012 -0.00001 162 2S -0.00220 0.00069 0.00058 -0.00113 0.00002 163 2PX -0.00999 0.00359 -0.00027 -0.00442 -0.00017 164 2PY -0.00009 0.00070 0.00040 0.00203 0.00017 165 2PZ 0.00548 -0.00231 0.00088 0.00329 0.00011 166 3S -0.00031 0.00058 0.00163 0.00049 0.00000 167 3PX -0.00608 0.00183 0.00003 -0.00394 -0.00022 168 3PY 0.00216 -0.00086 0.00088 -0.00052 0.00018 169 3PZ 0.00577 -0.00227 0.00058 0.00284 0.00009 170 4XX 0.00021 -0.00011 -0.00006 -0.00014 0.00000 171 4YY -0.00008 -0.00004 0.00001 -0.00008 0.00001 172 4ZZ -0.00022 0.00001 0.00001 -0.00028 -0.00001 173 4XY -0.00030 0.00001 -0.00008 -0.00033 -0.00001 174 4XZ 0.00026 -0.00013 0.00006 0.00008 0.00000 175 4YZ 0.00032 -0.00016 0.00000 0.00006 0.00000 176 17 C 1S -0.00035 0.00020 0.00008 0.00005 0.00000 177 2S 0.00053 -0.00042 -0.00011 -0.00024 -0.00001 178 2PX -0.00027 -0.00003 0.00054 -0.00080 0.00000 179 2PY 0.00303 -0.00141 -0.00041 0.00038 -0.00002 180 2PZ 0.00300 -0.00116 -0.00038 0.00045 -0.00001 181 3S 0.00052 -0.00095 -0.00054 -0.00150 -0.00005 182 3PX -0.00063 -0.00003 0.00043 -0.00131 0.00003 183 3PY 0.00198 -0.00080 -0.00044 0.00063 -0.00003 184 3PZ 0.00167 -0.00093 -0.00018 -0.00079 -0.00001 185 4XX -0.00049 0.00014 -0.00008 -0.00034 -0.00002 186 4YY 0.00000 0.00004 0.00000 0.00007 0.00000 187 4ZZ 0.00043 -0.00017 0.00009 0.00026 0.00001 188 4XY 0.00005 0.00002 0.00005 0.00007 0.00001 189 4XZ 0.00002 -0.00004 -0.00004 -0.00003 -0.00001 190 4YZ 0.00037 -0.00011 0.00004 0.00020 0.00001 191 18 C 1S -0.00002 0.00004 -0.00007 0.00001 0.00000 192 2S 0.00010 -0.00012 0.00008 -0.00001 0.00000 193 2PX 0.00317 -0.00101 0.00133 0.00222 0.00015 194 2PY -0.00156 0.00057 -0.00041 -0.00146 -0.00008 195 2PZ -0.00333 0.00088 -0.00121 -0.00189 -0.00014 196 3S -0.00116 0.00010 -0.00014 -0.00045 -0.00006 197 3PX 0.00306 -0.00057 0.00143 0.00271 0.00018 198 3PY -0.00246 0.00077 -0.00076 -0.00112 -0.00012 199 3PZ -0.00242 0.00076 -0.00043 -0.00183 -0.00008 200 4XX 0.00007 -0.00005 0.00003 0.00002 0.00000 201 4YY -0.00026 0.00014 0.00000 -0.00005 0.00000 202 4ZZ 0.00020 -0.00009 -0.00003 0.00005 0.00000 203 4XY 0.00019 -0.00008 -0.00001 0.00006 0.00000 204 4XZ -0.00011 0.00005 -0.00001 -0.00004 0.00000 205 4YZ -0.00004 0.00003 -0.00003 -0.00002 0.00000 206 19 C 1S 0.00023 -0.00003 0.00016 0.00007 0.00001 207 2S -0.00034 0.00017 -0.00015 0.00007 -0.00001 208 2PX 0.00289 -0.00177 0.00000 0.00087 0.00002 209 2PY -0.00312 0.00136 -0.00078 -0.00079 -0.00005 210 2PZ -0.00363 0.00171 -0.00050 -0.00105 -0.00005 211 3S -0.00168 -0.00133 -0.00276 -0.00313 -0.00022 212 3PX 0.00236 -0.00216 -0.00088 -0.00012 -0.00006 213 3PY -0.00467 0.00121 -0.00202 -0.00140 -0.00021 214 3PZ -0.00254 0.00063 -0.00091 -0.00213 -0.00005 215 4XX -0.00014 -0.00003 -0.00009 -0.00021 -0.00002 216 4YY 0.00019 -0.00002 0.00012 0.00016 0.00001 217 4ZZ -0.00002 0.00006 -0.00002 0.00007 0.00000 218 4XY -0.00018 0.00004 -0.00006 -0.00013 -0.00001 219 4XZ 0.00007 -0.00004 -0.00002 0.00004 0.00000 220 4YZ 0.00006 0.00001 0.00004 0.00012 0.00001 221 20 C 1S 0.00072 -0.00016 -0.00004 0.00014 0.00000 222 2S -0.00033 -0.00025 0.00030 -0.00081 0.00002 223 2PX -0.00001 -0.00108 -0.00037 -0.00233 -0.00014 224 2PY 0.00075 0.00062 0.00185 0.00124 0.00016 225 2PZ 0.00158 0.00002 0.00033 0.00202 0.00012 226 3S -0.00220 0.00243 0.00039 0.00430 0.00005 227 3PX -0.00265 -0.00157 -0.00340 -0.00370 -0.00038 228 3PY 0.00364 -0.00106 0.00165 0.00016 0.00022 229 3PZ -0.00409 0.00129 -0.00246 0.00109 -0.00019 230 4XX -0.00036 0.00013 -0.00010 -0.00019 -0.00001 231 4YY -0.00006 0.00002 0.00014 -0.00018 0.00001 232 4ZZ 0.00038 -0.00018 0.00005 0.00021 0.00001 233 4XY 0.00011 0.00001 0.00006 0.00015 0.00001 234 4XZ -0.00019 0.00001 -0.00011 -0.00014 -0.00001 235 4YZ 0.00025 -0.00014 -0.00002 0.00006 0.00000 236 21 H 1S -0.00061 0.00042 0.00081 -0.00030 0.00004 237 2S -0.00454 0.00132 -0.00078 -0.00110 -0.00021 238 22 H 1S 0.00024 -0.00007 -0.00009 0.00012 0.00000 239 2S 0.00081 -0.00034 0.00001 -0.00007 0.00003 240 23 H 1S 0.00024 -0.00008 -0.00009 0.00006 0.00000 241 2S 0.00025 0.00001 -0.00005 0.00017 0.00001 242 24 H 1S -0.00101 0.00058 0.00006 -0.00001 0.00001 243 2S -0.00094 0.00078 0.00011 0.00035 0.00003 244 25 H 1S -0.00040 -0.00001 0.00069 -0.00018 -0.00001 245 2S -0.00083 0.00012 0.00071 -0.00096 0.00004 246 26 O 1S 0.00215 -0.00158 0.00071 -0.00151 0.00001 247 2S -0.00403 0.00353 -0.00082 0.00391 0.00004 248 2PX -0.01878 0.01075 -0.00262 0.00152 -0.00009 249 2PY 0.01141 -0.00767 -0.00566 0.00109 0.00011 250 2PZ 0.00575 -0.00221 0.00233 -0.00211 -0.00005 251 3S -0.01746 0.01008 -0.00502 0.00777 -0.00034 252 3PX -0.01318 0.00653 -0.00220 -0.00086 -0.00010 253 3PY 0.00808 -0.00585 -0.00524 0.00120 0.00003 254 3PZ 0.00552 -0.00193 0.00260 -0.00173 0.00006 255 4XX 0.00160 -0.00082 0.00034 -0.00009 0.00000 256 4YY 0.00027 0.00011 0.00007 0.00033 0.00001 257 4ZZ 0.00048 0.00013 0.00038 0.00053 0.00004 258 4XY -0.00077 0.00059 0.00031 0.00009 0.00001 259 4XZ -0.00077 0.00035 -0.00029 0.00037 -0.00001 260 4YZ -0.00002 -0.00006 -0.00003 -0.00020 -0.00001 261 27 H 1S 0.00970 -0.00529 0.00175 -0.00189 0.00006 262 2S 0.00679 -0.00401 0.00132 -0.00355 0.00020 263 28 H 1S -0.00356 0.00366 0.00156 -0.00016 -0.00042 264 2S -0.00720 0.00314 0.00111 0.00034 -0.00068 71 72 73 74 75 71 4YY 0.00142 72 4ZZ -0.00039 0.00047 73 4XY -0.00008 0.00017 0.00175 74 4XZ 0.00038 -0.00011 -0.00051 0.00113 75 4YZ -0.00008 -0.00007 -0.00044 0.00003 0.00099 76 6 C 1S -0.00733 0.00114 -0.00135 -0.00050 0.00268 77 2S 0.01249 -0.00285 0.00296 0.00139 -0.00502 78 2PX 0.00320 0.00027 -0.01127 0.00278 -0.00129 79 2PY 0.01223 -0.00278 0.00535 0.00112 -0.00891 80 2PZ -0.00843 0.00712 -0.00215 -0.00287 -0.00907 81 3S 0.00878 -0.00185 0.00277 0.00094 -0.00379 82 3PX 0.00184 0.00083 -0.00745 0.00284 -0.00141 83 3PY 0.00293 -0.00008 0.00344 -0.00004 -0.00461 84 3PZ -0.00509 0.00455 -0.00212 -0.00175 -0.00787 85 4XX -0.00027 0.00013 0.00008 -0.00016 0.00045 86 4YY 0.00099 -0.00033 -0.00037 -0.00001 -0.00020 87 4ZZ -0.00054 0.00009 0.00005 0.00012 -0.00021 88 4XY -0.00022 0.00026 0.00125 -0.00063 -0.00041 89 4XZ 0.00015 -0.00015 -0.00015 0.00007 0.00044 90 4YZ -0.00026 0.00037 -0.00057 -0.00015 0.00028 91 7 C 1S 0.00089 -0.00032 -0.00162 0.00051 0.00047 92 2S -0.00168 0.00086 0.00343 -0.00126 -0.00099 93 2PX -0.00312 0.00216 0.00520 -0.00147 -0.00620 94 2PY -0.00035 0.00093 0.00257 -0.00066 -0.00336 95 2PZ -0.00286 0.00123 -0.00691 0.00383 -0.00772 96 3S -0.00067 0.00095 0.00166 0.00014 -0.00059 97 3PX -0.00273 0.00117 0.00182 -0.00015 -0.00398 98 3PY 0.00022 0.00049 -0.00034 0.00077 -0.00191 99 3PZ -0.00243 0.00066 -0.00393 0.00320 -0.00713 100 4XX -0.00013 0.00022 -0.00005 -0.00012 -0.00028 101 4YY 0.00011 -0.00005 -0.00021 0.00016 -0.00005 102 4ZZ 0.00016 -0.00021 0.00017 0.00005 0.00033 103 4XY 0.00018 0.00005 0.00032 -0.00003 -0.00041 104 4XZ -0.00015 0.00016 -0.00031 -0.00002 -0.00018 105 4YZ -0.00021 0.00010 -0.00023 0.00000 -0.00008 106 8 C 1S -0.00029 -0.00009 0.00021 -0.00019 -0.00009 107 2S 0.00075 -0.00011 -0.00063 0.00043 0.00015 108 2PX -0.00043 -0.00014 -0.00087 0.00057 0.00029 109 2PY 0.00125 -0.00010 0.00142 0.00050 -0.00092 110 2PZ -0.00023 -0.00055 0.00010 0.00069 -0.00050 111 3S -0.00070 0.00017 0.00086 -0.00083 0.00069 112 3PX -0.00094 -0.00037 0.00018 0.00038 0.00025 113 3PY 0.00078 -0.00016 0.00092 0.00039 -0.00040 114 3PZ 0.00021 -0.00105 0.00001 0.00133 -0.00031 115 4XX -0.00018 0.00010 0.00011 -0.00007 -0.00027 116 4YY 0.00015 -0.00005 -0.00007 -0.00002 0.00028 117 4ZZ -0.00005 -0.00003 0.00005 0.00002 -0.00002 118 4XY -0.00007 0.00003 0.00015 -0.00022 0.00020 119 4XZ -0.00003 0.00004 -0.00023 0.00017 -0.00027 120 4YZ 0.00029 -0.00005 0.00020 -0.00023 0.00062 121 9 H 1S -0.00037 0.00008 0.00057 -0.00052 -0.00015 122 2S -0.00124 0.00031 0.00135 -0.00098 -0.00030 123 10 H 1S 0.00009 -0.00037 -0.00135 0.00083 0.00056 124 2S 0.00145 -0.00062 -0.00161 0.00131 0.00026 125 11 H 1S 0.00241 -0.00086 -0.00731 0.00210 0.00259 126 2S -0.00060 -0.00041 -0.00635 0.00107 0.00295 127 12 H 1S -0.00634 0.00032 0.01095 -0.01221 -0.00431 128 2S -0.00588 0.00153 0.00805 -0.00731 -0.00235 129 13 H 1S 0.00710 -0.00052 -0.00098 0.00342 -0.00127 130 2S 0.00473 0.00000 0.00150 0.00226 -0.00183 131 14 O 1S 0.00003 0.00005 0.00006 0.00007 -0.00011 132 2S -0.00014 -0.00004 -0.00006 -0.00022 0.00021 133 2PX -0.00120 -0.00028 -0.00076 0.00000 -0.00101 134 2PY -0.00059 -0.00007 -0.00054 0.00125 -0.00178 135 2PZ -0.00044 -0.00027 -0.00062 0.00189 -0.00260 136 3S 0.00015 -0.00032 -0.00051 -0.00010 0.00085 137 3PX -0.00119 -0.00017 -0.00073 -0.00001 -0.00097 138 3PY -0.00058 0.00002 -0.00048 0.00101 -0.00171 139 3PZ -0.00034 -0.00018 -0.00066 0.00166 -0.00233 140 4XX 0.00001 0.00002 0.00004 -0.00002 -0.00001 141 4YY 0.00001 0.00003 0.00005 -0.00010 0.00010 142 4ZZ -0.00006 0.00000 -0.00001 0.00006 -0.00013 143 4XY 0.00004 0.00002 0.00004 -0.00005 0.00006 144 4XZ -0.00001 -0.00001 -0.00003 0.00000 0.00001 145 4YZ 0.00002 0.00001 0.00000 -0.00003 0.00005 146 15 C 1S 0.00004 -0.00002 -0.00006 -0.00001 -0.00005 147 2S 0.00008 -0.00005 0.00009 0.00000 0.00024 148 2PX 0.00012 0.00001 0.00017 -0.00010 0.00036 149 2PY 0.00007 -0.00005 -0.00004 -0.00001 0.00004 150 2PZ 0.00000 -0.00004 -0.00005 0.00004 -0.00001 151 3S -0.00055 0.00016 -0.00022 0.00014 -0.00075 152 3PX -0.00004 0.00014 0.00006 0.00000 0.00000 153 3PY -0.00015 -0.00005 0.00005 -0.00003 0.00007 154 3PZ -0.00002 0.00005 -0.00012 0.00004 -0.00018 155 4XX -0.00002 0.00000 0.00000 -0.00002 -0.00001 156 4YY 0.00001 0.00000 0.00000 0.00001 0.00001 157 4ZZ 0.00003 -0.00002 0.00000 0.00001 0.00003 158 4XY -0.00001 0.00000 0.00000 -0.00001 0.00000 159 4XZ 0.00000 0.00000 0.00001 0.00000 0.00002 160 4YZ 0.00002 0.00000 0.00001 0.00001 0.00002 161 16 C 1S 0.00002 -0.00001 0.00002 -0.00002 0.00000 162 2S -0.00003 0.00001 -0.00002 0.00005 -0.00003 163 2PX 0.00006 0.00003 0.00006 0.00007 0.00013 164 2PY -0.00016 0.00001 -0.00002 -0.00002 -0.00016 165 2PZ -0.00005 -0.00002 -0.00011 0.00001 -0.00013 166 3S -0.00003 0.00004 0.00007 -0.00009 0.00019 167 3PX 0.00017 -0.00002 0.00008 0.00003 0.00026 168 3PY -0.00010 -0.00004 0.00007 -0.00006 0.00003 169 3PZ -0.00002 -0.00004 -0.00010 0.00001 -0.00015 170 4XX 0.00000 0.00000 0.00001 -0.00001 0.00001 171 4YY -0.00001 0.00000 0.00000 0.00001 -0.00001 172 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 173 4XY 0.00001 0.00000 0.00001 0.00000 0.00002 174 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.00001 0.00000 0.00000 0.00000 -0.00001 177 2S 0.00001 -0.00001 0.00001 0.00000 0.00002 178 2PX 0.00002 0.00001 -0.00003 0.00004 0.00001 179 2PY 0.00003 -0.00002 0.00003 -0.00004 0.00005 180 2PZ 0.00002 -0.00001 0.00004 -0.00005 0.00005 181 3S 0.00011 -0.00006 0.00005 -0.00002 0.00012 182 3PX 0.00000 -0.00002 -0.00002 0.00005 0.00000 183 3PY 0.00004 -0.00001 0.00001 -0.00004 0.00002 184 3PZ 0.00003 -0.00003 0.00007 -0.00004 0.00009 185 4XX 0.00001 0.00000 0.00001 0.00000 0.00002 186 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 187 4ZZ -0.00001 0.00000 -0.00001 0.00000 -0.00001 188 4XY -0.00001 0.00000 0.00000 0.00000 -0.00001 189 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 190 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 192 2S 0.00000 0.00000 -0.00001 0.00001 -0.00001 193 2PX -0.00010 0.00000 -0.00008 0.00002 -0.00016 194 2PY 0.00005 0.00000 0.00004 0.00001 0.00008 195 2PZ 0.00009 -0.00001 0.00006 0.00000 0.00013 196 3S 0.00003 -0.00001 0.00000 0.00004 0.00002 197 3PX -0.00014 0.00002 -0.00009 0.00002 -0.00021 198 3PY 0.00007 0.00000 0.00003 0.00002 0.00007 199 3PZ 0.00003 0.00000 0.00003 0.00003 0.00005 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S -0.00001 0.00000 -0.00001 0.00001 -0.00002 207 2S 0.00000 0.00001 0.00001 -0.00001 0.00000 208 2PX 0.00001 -0.00003 0.00001 -0.00004 0.00004 209 2PY 0.00002 0.00002 0.00003 -0.00001 0.00005 210 2PZ 0.00001 0.00003 0.00003 0.00000 0.00004 211 3S 0.00029 -0.00006 0.00017 -0.00012 0.00048 212 3PX 0.00011 -0.00005 0.00005 -0.00006 0.00018 213 3PY 0.00018 0.00001 0.00007 -0.00002 0.00022 214 3PZ 0.00006 0.00000 0.00008 -0.00005 0.00017 215 4XX 0.00001 0.00000 0.00001 0.00000 0.00002 216 4YY -0.00001 0.00000 -0.00001 0.00000 -0.00001 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00001 0.00000 0.00001 0.00000 0.00001 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ -0.00001 0.00000 0.00000 0.00000 -0.00001 221 20 C 1S 0.00002 0.00001 0.00000 -0.00002 0.00003 222 2S -0.00003 -0.00003 0.00001 0.00002 -0.00001 223 2PX 0.00010 -0.00005 0.00004 0.00003 0.00011 224 2PY -0.00015 0.00000 -0.00008 0.00006 -0.00023 225 2PZ -0.00008 0.00002 -0.00006 0.00001 -0.00014 226 3S -0.00017 0.00006 -0.00023 0.00018 -0.00054 227 3PX 0.00040 -0.00010 0.00014 -0.00005 0.00049 228 3PY -0.00015 -0.00003 -0.00004 0.00001 -0.00016 229 3PZ 0.00019 0.00003 0.00003 -0.00003 0.00015 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 231 4YY -0.00001 0.00000 0.00000 0.00000 -0.00001 232 4ZZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 233 4XY -0.00001 0.00000 0.00000 0.00000 -0.00001 234 4XZ 0.00001 0.00000 0.00001 0.00000 0.00001 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S -0.00006 -0.00001 -0.00002 0.00004 -0.00009 237 2S 0.00016 0.00000 0.00008 -0.00003 0.00024 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S -0.00001 -0.00001 0.00000 -0.00001 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00001 241 2S -0.00001 0.00001 0.00000 -0.00001 -0.00001 242 24 H 1S -0.00002 0.00001 0.00000 0.00000 -0.00002 243 2S -0.00004 0.00002 -0.00001 0.00000 -0.00005 244 25 H 1S 0.00000 0.00000 -0.00004 0.00003 -0.00001 245 2S -0.00003 0.00000 -0.00003 0.00003 -0.00001 246 26 O 1S 0.00002 -0.00003 0.00001 -0.00003 0.00007 247 2S -0.00011 0.00009 -0.00005 0.00008 -0.00024 248 2PX -0.00016 0.00026 0.00017 0.00026 -0.00022 249 2PY 0.00004 -0.00004 -0.00002 -0.00009 -0.00011 250 2PZ 0.00008 -0.00003 0.00005 -0.00010 0.00018 251 3S 0.00008 0.00020 -0.00006 0.00020 -0.00018 252 3PX -0.00005 0.00014 0.00016 0.00020 -0.00001 253 3PY 0.00008 -0.00002 0.00003 -0.00010 -0.00004 254 3PZ -0.00004 -0.00001 0.00002 -0.00006 0.00001 255 4XX 0.00001 -0.00002 -0.00002 -0.00001 0.00000 256 4YY -0.00002 0.00001 0.00000 0.00001 -0.00005 257 4ZZ -0.00004 0.00001 -0.00001 -0.00001 -0.00004 258 4XY -0.00002 0.00001 0.00001 0.00000 0.00001 259 4XZ 0.00000 0.00001 -0.00001 0.00002 -0.00003 260 4YZ 0.00001 0.00000 0.00001 0.00000 0.00000 261 27 H 1S 0.00008 -0.00013 -0.00003 -0.00016 0.00019 262 2S 0.00000 -0.00011 0.00010 -0.00018 0.00023 263 28 H 1S 0.00022 0.00005 0.00003 0.00020 -0.00002 264 2S 0.00035 -0.00001 -0.00022 0.00055 -0.00025 76 77 78 79 80 76 6 C 1S 2.06022 77 2S -0.09694 0.30090 78 2PX 0.00074 -0.00498 0.38522 79 2PY -0.00064 0.00432 -0.00636 0.40130 80 2PZ -0.00002 0.00089 -0.04654 -0.02490 0.29616 81 3S -0.14370 0.22021 0.00905 -0.00655 -0.00324 82 3PX -0.01055 0.02948 0.18856 -0.02593 0.01588 83 3PY 0.00939 -0.02617 -0.02524 0.17330 0.01803 84 3PZ 0.00266 -0.00737 0.01492 0.01873 0.20069 85 4XX -0.00718 0.00707 -0.00371 -0.02018 -0.00020 86 4YY -0.00753 0.00831 0.01344 0.01368 -0.00597 87 4ZZ -0.00008 -0.00844 -0.00232 0.00014 0.00442 88 4XY 0.00263 -0.00462 -0.02056 0.01304 0.00712 89 4XZ 0.00362 -0.00824 0.00243 0.00565 -0.00949 90 4YZ 0.00107 -0.00297 0.00813 -0.00707 0.00537 91 7 C 1S 0.01648 -0.03277 0.06475 0.02439 -0.03267 92 2S -0.03250 0.05801 -0.12954 -0.04967 0.06526 93 2PX -0.06472 0.13081 -0.19143 -0.07686 0.17510 94 2PY -0.02379 0.04779 -0.06855 -0.01407 0.07043 95 2PZ 0.03239 -0.06554 0.17358 0.07391 0.09779 96 3S -0.00996 0.04402 -0.08363 -0.04481 0.05057 97 3PX -0.01244 0.03164 -0.06219 -0.02100 0.08908 98 3PY -0.01391 0.03912 -0.00185 -0.02892 0.03895 99 3PZ 0.00818 -0.02167 0.08599 0.04420 0.09605 100 4XX -0.00516 0.00838 -0.00250 -0.00738 0.01040 101 4YY 0.00234 -0.00607 0.00622 0.00911 -0.00241 102 4ZZ -0.00025 -0.00017 -0.00257 -0.00108 -0.00853 103 4XY -0.00354 0.00714 -0.00981 0.00547 0.00752 104 4XZ 0.00399 -0.00721 0.00978 0.00530 0.00284 105 4YZ 0.00130 -0.00238 0.00612 -0.00293 0.00265 106 8 C 1S -0.00328 0.00707 -0.01268 0.00042 0.00572 107 2S 0.00713 -0.01468 0.03067 -0.00008 -0.01371 108 2PX 0.01289 -0.03058 0.04117 0.00337 -0.01700 109 2PY -0.00507 0.01203 -0.01923 0.00305 0.00586 110 2PZ -0.00457 0.01068 -0.01336 -0.00153 0.00700 111 3S 0.00861 -0.02988 0.00956 -0.01028 -0.01594 112 3PX 0.00966 -0.02826 0.02055 0.00223 -0.01976 113 3PY -0.00217 0.00249 -0.01748 0.00517 0.00098 114 3PZ -0.00360 0.01128 -0.01129 -0.00501 -0.00761 115 4XX -0.00122 0.00296 -0.00563 -0.00079 0.00718 116 4YY 0.00167 -0.00326 0.00421 0.00130 -0.00597 117 4ZZ -0.00026 0.00077 -0.00149 -0.00068 -0.00028 118 4XY -0.00062 0.00143 -0.00221 -0.00168 -0.00172 119 4XZ 0.00069 -0.00159 0.00593 0.00201 0.00330 120 4YZ -0.00014 0.00023 -0.00435 -0.00176 -0.00817 121 9 H 1S -0.00661 0.01541 -0.02419 -0.00743 0.01116 122 2S -0.00651 0.01316 -0.03661 -0.00744 0.01681 123 10 H 1S 0.01121 -0.02521 0.02752 0.02690 -0.01740 124 2S 0.01000 -0.01910 0.04516 0.04245 -0.02729 125 11 H 1S -0.05777 0.11018 0.18920 -0.16499 -0.04492 126 2S -0.01051 0.02322 0.13486 -0.11761 -0.03235 127 12 H 1S 0.01120 -0.02502 -0.01863 -0.03498 0.01527 128 2S 0.00987 -0.01872 -0.02897 -0.05654 0.02391 129 13 H 1S -0.00677 0.01550 0.00144 0.02709 -0.00608 130 2S -0.00633 0.01274 -0.00065 0.03882 -0.00618 131 14 O 1S -0.00018 0.00043 0.00031 0.00089 0.00072 132 2S 0.00043 -0.00113 0.00026 -0.00126 -0.00142 133 2PX 0.00217 -0.00405 0.00795 -0.00156 0.01531 134 2PY -0.00052 0.00048 0.00738 0.00477 0.02017 135 2PZ -0.00068 0.00118 0.01127 0.00787 0.02551 136 3S 0.00052 -0.00098 -0.00714 -0.00831 -0.00613 137 3PX 0.00211 -0.00412 0.00801 -0.00203 0.01547 138 3PY -0.00045 0.00048 0.00868 0.00590 0.02037 139 3PZ -0.00075 0.00141 0.00986 0.00719 0.02502 140 4XX -0.00004 0.00006 0.00022 0.00046 -0.00013 141 4YY 0.00003 -0.00007 -0.00021 -0.00018 -0.00102 142 4ZZ -0.00001 -0.00003 0.00078 0.00051 0.00129 143 4XY -0.00007 0.00015 -0.00032 0.00008 -0.00079 144 4XZ 0.00005 -0.00012 0.00000 -0.00024 0.00004 145 4YZ 0.00000 0.00000 -0.00013 -0.00004 -0.00041 146 15 C 1S -0.00003 0.00032 -0.00007 0.00017 0.00075 147 2S 0.00008 -0.00033 -0.00099 -0.00084 -0.00411 148 2PX 0.00039 -0.00096 -0.00070 -0.00073 -0.00583 149 2PY -0.00034 0.00095 -0.00154 -0.00045 -0.00001 150 2PZ -0.00022 0.00042 -0.00051 -0.00026 0.00041 151 3S 0.00058 -0.00150 0.00624 0.00181 0.01141 152 3PX 0.00037 -0.00103 0.00180 0.00021 0.00085 153 3PY 0.00008 -0.00035 -0.00048 -0.00207 -0.00140 154 3PZ -0.00053 0.00132 -0.00038 0.00088 0.00428 155 4XX -0.00001 0.00007 -0.00010 -0.00007 0.00022 156 4YY 0.00002 -0.00003 -0.00007 -0.00004 -0.00026 157 4ZZ 0.00000 0.00002 -0.00013 -0.00006 -0.00060 158 4XY 0.00004 -0.00007 0.00013 -0.00004 -0.00003 159 4XZ 0.00002 -0.00005 -0.00006 -0.00009 -0.00033 160 4YZ -0.00001 0.00002 -0.00014 -0.00003 -0.00031 161 16 C 1S -0.00011 0.00032 -0.00062 -0.00012 0.00002 162 2S 0.00030 -0.00076 0.00147 0.00038 -0.00018 163 2PX 0.00053 -0.00150 0.00141 0.00035 -0.00298 164 2PY -0.00016 0.00031 0.00029 -0.00001 0.00272 165 2PZ -0.00001 0.00014 0.00092 0.00029 0.00212 166 3S 0.00026 -0.00090 0.00023 -0.00139 -0.00253 167 3PX 0.00040 -0.00111 0.00046 -0.00029 -0.00508 168 3PY -0.00002 0.00002 -0.00054 -0.00107 -0.00082 169 3PZ -0.00002 0.00020 0.00116 0.00088 0.00193 170 4XX -0.00004 0.00012 -0.00031 -0.00007 -0.00003 171 4YY 0.00001 -0.00003 0.00008 0.00001 -0.00001 172 4ZZ 0.00006 -0.00013 0.00021 0.00006 -0.00019 173 4XY 0.00002 -0.00006 -0.00002 -0.00004 -0.00038 174 4XZ 0.00001 -0.00002 0.00005 0.00001 0.00004 175 4YZ -0.00003 0.00008 -0.00014 -0.00003 0.00004 176 17 C 1S 0.00003 -0.00008 0.00018 0.00005 0.00011 177 2S -0.00005 0.00011 -0.00035 -0.00013 -0.00030 178 2PX 0.00011 -0.00026 0.00047 0.00016 -0.00039 179 2PY -0.00016 0.00047 -0.00104 -0.00032 -0.00044 180 2PZ -0.00022 0.00060 -0.00125 -0.00037 -0.00023 181 3S -0.00007 0.00027 -0.00095 -0.00015 -0.00241 182 3PX 0.00019 -0.00045 0.00084 0.00022 -0.00073 183 3PY -0.00009 0.00035 -0.00043 0.00005 -0.00010 184 3PZ -0.00013 0.00029 -0.00121 -0.00069 -0.00131 185 4XX 0.00003 -0.00008 0.00004 0.00001 -0.00031 186 4YY -0.00001 0.00002 0.00000 0.00000 0.00010 187 4ZZ -0.00001 0.00003 0.00005 0.00002 0.00021 188 4XY 0.00000 0.00001 0.00003 0.00001 0.00011 189 4XZ 0.00000 -0.00001 0.00001 0.00000 -0.00009 190 4YZ -0.00002 0.00005 -0.00003 -0.00001 0.00015 191 18 C 1S -0.00001 0.00003 -0.00008 -0.00002 -0.00004 192 2S 0.00003 -0.00006 0.00016 0.00004 0.00001 193 2PX -0.00010 0.00027 0.00045 0.00020 0.00257 194 2PY 0.00008 -0.00019 -0.00015 -0.00008 -0.00131 195 2PZ 0.00013 -0.00036 -0.00013 -0.00010 -0.00225 196 3S -0.00006 0.00004 -0.00026 -0.00013 -0.00034 197 3PX -0.00011 0.00028 0.00065 0.00023 0.00353 198 3PY 0.00000 -0.00003 -0.00036 0.00000 -0.00106 199 3PZ 0.00021 -0.00058 0.00055 -0.00005 -0.00132 200 4XX 0.00000 0.00001 -0.00001 0.00000 -0.00002 201 4YY 0.00001 -0.00003 0.00007 0.00003 0.00002 202 4ZZ -0.00002 0.00004 -0.00009 -0.00003 0.00000 203 4XY -0.00001 0.00004 -0.00007 -0.00002 0.00001 204 4XZ 0.00001 -0.00002 0.00002 0.00000 -0.00002 205 4YZ 0.00000 0.00000 -0.00002 0.00000 -0.00003 206 19 C 1S 0.00000 0.00000 0.00008 0.00003 0.00025 207 2S 0.00000 -0.00001 0.00003 0.00003 -0.00002 208 2PX -0.00020 0.00052 -0.00098 -0.00037 -0.00034 209 2PY 0.00010 -0.00032 0.00024 0.00008 -0.00076 210 2PZ 0.00015 -0.00042 0.00046 0.00017 -0.00069 211 3S -0.00016 0.00037 -0.00312 -0.00096 -0.00723 212 3PX -0.00030 0.00075 -0.00221 -0.00067 -0.00230 213 3PY -0.00014 0.00025 -0.00137 -0.00008 -0.00296 214 3PZ 0.00019 -0.00048 -0.00022 -0.00027 -0.00295 215 4XX 0.00001 -0.00002 -0.00006 -0.00003 -0.00030 216 4YY -0.00001 0.00002 0.00004 0.00002 0.00022 217 4ZZ 0.00000 0.00001 0.00001 0.00001 0.00007 218 4XY 0.00000 -0.00001 -0.00005 -0.00003 -0.00018 219 4XZ -0.00001 0.00002 -0.00004 -0.00001 -0.00003 220 4YZ -0.00001 0.00002 0.00000 0.00001 0.00013 221 20 C 1S 0.00000 0.00002 -0.00010 -0.00001 -0.00024 222 2S 0.00003 -0.00011 -0.00002 -0.00018 -0.00026 223 2PX 0.00011 -0.00021 -0.00026 -0.00026 -0.00237 224 2PY 0.00002 -0.00007 0.00100 0.00032 0.00325 225 2PZ -0.00010 0.00028 0.00029 0.00029 0.00242 226 3S -0.00014 0.00045 0.00271 0.00193 0.00863 227 3PX -0.00027 0.00069 -0.00336 -0.00068 -0.00759 228 3PY 0.00015 -0.00032 0.00067 0.00003 0.00173 229 3PZ -0.00048 0.00112 -0.00223 0.00021 -0.00096 230 4XX 0.00002 -0.00005 0.00005 0.00002 -0.00014 231 4YY 0.00002 -0.00004 0.00006 -0.00002 0.00000 232 4ZZ -0.00003 0.00008 -0.00009 -0.00001 0.00015 233 4XY 0.00000 0.00001 0.00005 0.00002 0.00021 234 4XZ 0.00000 0.00000 -0.00004 -0.00001 -0.00016 235 4YZ -0.00001 0.00003 -0.00004 -0.00001 -0.00003 236 21 H 1S 0.00005 -0.00016 0.00050 0.00009 0.00093 237 2S -0.00021 0.00036 -0.00167 -0.00045 -0.00304 238 22 H 1S 0.00000 0.00001 0.00003 0.00002 0.00006 239 2S 0.00005 -0.00010 0.00010 -0.00008 -0.00012 240 23 H 1S -0.00002 0.00006 -0.00013 -0.00004 -0.00006 241 2S -0.00003 0.00007 -0.00009 -0.00004 0.00025 242 24 H 1S 0.00000 -0.00004 0.00013 0.00005 0.00035 243 2S 0.00003 -0.00008 0.00045 0.00021 0.00077 244 25 H 1S 0.00025 -0.00061 0.00111 0.00035 -0.00014 245 2S 0.00028 -0.00057 0.00115 -0.00008 -0.00016 246 26 O 1S -0.00019 0.00041 -0.00132 -0.00052 -0.00092 247 2S 0.00036 -0.00088 0.00326 0.00130 0.00353 248 2PX 0.00008 -0.00056 0.00194 0.00107 0.00330 249 2PY -0.00096 0.00237 -0.00293 -0.00056 0.00225 250 2PZ -0.00035 0.00098 -0.00261 -0.00103 -0.00164 251 3S 0.00091 -0.00190 0.00650 0.00292 0.00223 252 3PX 0.00013 -0.00064 0.00050 0.00001 -0.00032 253 3PY -0.00096 0.00237 -0.00319 -0.00036 0.00139 254 3PZ -0.00037 0.00086 -0.00183 -0.00073 0.00069 255 4XX -0.00004 0.00010 -0.00009 0.00002 0.00008 256 4YY -0.00008 0.00014 -0.00001 0.00008 0.00082 257 4ZZ 0.00001 -0.00002 0.00024 0.00008 0.00074 258 4XY 0.00007 -0.00016 0.00023 0.00001 -0.00008 259 4XZ 0.00002 -0.00006 0.00031 0.00015 0.00036 260 4YZ -0.00005 0.00010 -0.00022 -0.00003 0.00002 261 27 H 1S -0.00015 0.00056 -0.00212 -0.00103 -0.00253 262 2S -0.00022 0.00067 -0.00329 -0.00132 -0.00352 263 28 H 1S -0.00010 0.00014 0.00003 0.00059 0.00027 264 2S -0.00044 0.00066 0.00056 0.00161 0.00361 81 82 83 84 85 81 3S 0.16912 82 3PX 0.02497 0.10772 83 3PY -0.02134 -0.02432 0.08655 84 3PZ -0.00664 0.03062 0.02682 0.14787 85 4XX 0.00556 0.00026 -0.00934 -0.00266 0.00160 86 4YY 0.00651 0.00583 0.00407 -0.00139 -0.00068 87 4ZZ -0.00612 -0.00169 0.00149 0.00301 -0.00043 88 4XY -0.00375 -0.01194 0.00895 0.00406 -0.00054 89 4XZ -0.00610 -0.00089 0.00201 -0.00551 -0.00040 90 4YZ -0.00214 0.00548 -0.00333 0.00387 0.00044 91 7 C 1S -0.00861 0.01860 -0.00140 -0.00785 -0.00490 92 2S 0.03978 -0.04966 0.00619 0.01998 0.00806 93 2PX 0.09801 -0.06730 -0.02180 0.09138 0.00215 94 2PY 0.01774 0.00029 -0.02793 0.03438 0.00767 95 2PZ -0.04590 0.08665 0.04410 0.09389 -0.01196 96 3S 0.02857 -0.02760 0.00058 0.01665 0.00618 97 3PX 0.02188 -0.01899 -0.00241 0.05271 -0.00099 98 3PY 0.01915 0.02198 -0.03146 0.02173 0.00408 99 3PZ -0.01375 0.04819 0.03005 0.08099 -0.00803 100 4XX 0.00550 0.00223 -0.00396 0.00636 0.00082 101 4YY -0.00380 0.00075 0.00685 -0.00026 -0.00084 102 4ZZ 0.00001 -0.00251 -0.00178 -0.00645 -0.00003 103 4XY 0.00569 -0.00455 0.00342 0.00458 -0.00047 104 4XZ -0.00497 0.00433 0.00287 0.00438 -0.00047 105 4YZ -0.00207 0.00369 -0.00230 0.00189 -0.00002 106 8 C 1S 0.01029 -0.00983 0.00247 0.00419 -0.00082 107 2S -0.03104 0.02623 -0.00911 -0.01036 0.00200 108 2PX -0.02069 0.02038 0.00794 -0.01597 0.00339 109 2PY 0.01376 -0.01655 0.00768 0.00074 -0.00417 110 2PZ 0.00556 -0.01344 -0.00781 -0.00890 -0.00670 111 3S -0.03518 0.00628 -0.00762 -0.01305 0.00124 112 3PX -0.01270 0.00105 0.00942 -0.01536 0.00000 113 3PY 0.00529 -0.01418 0.00889 -0.00220 -0.00190 114 3PZ 0.00400 -0.00851 -0.01016 -0.01631 -0.00409 115 4XX 0.00077 -0.00102 -0.00096 0.00384 0.00003 116 4YY -0.00200 0.00051 0.00115 -0.00388 -0.00017 117 4ZZ 0.00093 -0.00073 -0.00031 0.00023 0.00008 118 4XY 0.00062 -0.00163 -0.00185 -0.00178 -0.00028 119 4XZ -0.00005 0.00252 0.00186 0.00316 -0.00038 120 4YZ 0.00045 -0.00329 -0.00131 -0.00725 0.00043 121 9 H 1S -0.00002 -0.00646 -0.01338 0.00438 -0.00141 122 2S 0.00693 -0.01697 -0.00589 0.00800 -0.00092 123 10 H 1S -0.00948 -0.00450 0.03750 -0.00581 -0.00451 124 2S -0.00839 0.00800 0.03052 -0.00908 -0.00517 125 11 H 1S 0.09058 0.11226 -0.09784 -0.02674 0.00968 126 2S 0.02340 0.07449 -0.06474 -0.01798 0.00581 127 12 H 1S -0.01141 -0.03448 -0.00383 0.01545 0.00199 128 2S -0.00978 -0.02572 -0.01515 0.01383 0.00328 129 13 H 1S 0.00235 0.00666 0.00914 -0.00435 -0.00049 130 2S 0.00658 0.00183 0.01850 -0.00283 -0.00118 131 14 O 1S -0.00115 -0.00043 -0.00133 0.00145 0.00003 132 2S 0.00259 0.00117 0.00338 -0.00279 -0.00008 133 2PX -0.00495 0.01941 0.00524 0.00872 -0.00023 134 2PY 0.01463 0.00895 0.01232 0.01882 -0.00006 135 2PZ 0.00034 0.00698 0.00512 0.03100 -0.00042 136 3S 0.00593 -0.00241 0.00192 -0.00917 0.00003 137 3PX -0.00572 0.01661 0.00392 0.00988 -0.00028 138 3PY 0.00975 0.00869 0.00967 0.01943 -0.00008 139 3PZ 0.00206 0.00696 0.00553 0.02808 -0.00039 140 4XX 0.00022 0.00015 0.00033 -0.00011 0.00000 141 4YY -0.00078 -0.00055 -0.00070 -0.00099 0.00002 142 4ZZ 0.00014 0.00069 0.00055 0.00150 -0.00002 143 4XY -0.00014 -0.00080 -0.00031 -0.00057 0.00001 144 4XZ 0.00004 0.00026 0.00003 -0.00005 0.00001 145 4YZ 0.00037 -0.00006 0.00010 -0.00068 0.00000 146 15 C 1S -0.00073 0.00098 -0.00244 0.00064 0.00001 147 2S 0.00007 -0.00202 0.00136 -0.00357 0.00002 148 2PX 0.00084 -0.00290 0.00046 -0.00571 0.00008 149 2PY -0.00220 0.00078 -0.00155 0.00023 0.00001 150 2PZ -0.00083 0.00036 0.00096 0.00086 0.00002 151 3S -0.00189 0.00498 0.00411 0.01033 -0.00005 152 3PX 0.00177 -0.00121 0.00124 0.00096 0.00018 153 3PY -0.00239 0.00110 -0.00101 -0.00122 0.00003 154 3PZ 0.00054 0.00002 0.00108 0.00439 0.00007 155 4XX -0.00026 0.00016 -0.00005 0.00011 0.00000 156 4YY 0.00038 -0.00029 0.00010 -0.00020 0.00000 157 4ZZ -0.00012 -0.00015 -0.00019 -0.00051 -0.00001 158 4XY -0.00024 0.00013 0.00002 -0.00006 0.00000 159 4XZ 0.00004 -0.00016 0.00000 -0.00028 0.00001 160 4YZ 0.00022 -0.00025 -0.00008 -0.00025 0.00000 161 16 C 1S 0.00072 -0.00064 -0.00114 0.00019 0.00000 162 2S -0.00008 0.00054 0.00179 -0.00021 -0.00001 163 2PX 0.00360 -0.00248 0.00277 -0.00255 0.00008 164 2PY -0.00105 0.00117 0.00084 0.00248 -0.00006 165 2PZ -0.00418 0.00316 0.00015 0.00168 -0.00001 166 3S -0.00090 0.00008 0.00042 -0.00245 0.00015 167 3PX 0.00276 -0.00227 0.00085 -0.00427 0.00011 168 3PY -0.00148 0.00079 -0.00058 -0.00073 -0.00003 169 3PZ -0.00360 0.00301 0.00007 0.00159 -0.00007 170 4XX -0.00002 -0.00014 -0.00015 -0.00010 -0.00001 171 4YY 0.00001 0.00003 0.00013 0.00004 0.00000 172 4ZZ 0.00002 0.00004 0.00012 -0.00016 0.00000 173 4XY 0.00012 -0.00018 0.00002 -0.00032 0.00000 174 4XZ -0.00014 0.00013 0.00001 0.00003 0.00000 175 4YZ 0.00005 -0.00004 -0.00010 0.00005 0.00000 176 17 C 1S 0.00001 0.00007 0.00019 0.00009 0.00000 177 2S 0.00019 -0.00027 -0.00027 -0.00024 -0.00001 178 2PX 0.00161 -0.00031 0.00058 -0.00012 0.00003 179 2PY -0.00160 0.00025 -0.00147 -0.00063 -0.00003 180 2PZ -0.00114 0.00003 -0.00164 -0.00041 -0.00004 181 3S 0.00016 -0.00076 -0.00065 -0.00201 -0.00001 182 3PX 0.00121 -0.00008 0.00078 -0.00032 0.00001 183 3PY -0.00138 0.00042 -0.00095 -0.00027 -0.00002 184 3PZ -0.00084 -0.00031 -0.00131 -0.00130 -0.00002 185 4XX 0.00025 -0.00021 0.00003 -0.00026 0.00000 186 4YY -0.00001 0.00002 -0.00001 0.00009 0.00000 187 4ZZ -0.00024 0.00022 0.00002 0.00018 0.00000 188 4XY 0.00003 0.00004 0.00003 0.00011 0.00000 189 4XZ -0.00003 -0.00001 -0.00004 -0.00008 0.00000 190 4YZ -0.00015 0.00012 -0.00007 0.00012 0.00000 191 18 C 1S 0.00009 -0.00009 -0.00009 -0.00003 0.00000 192 2S -0.00034 0.00023 0.00015 -0.00002 0.00000 193 2PX -0.00152 0.00198 0.00088 0.00222 -0.00002 194 2PY 0.00080 -0.00091 -0.00037 -0.00115 0.00001 195 2PZ 0.00093 -0.00154 -0.00030 -0.00193 0.00003 196 3S 0.00041 -0.00038 0.00019 -0.00019 0.00003 197 3PX -0.00124 0.00208 0.00082 0.00308 -0.00002 198 3PY 0.00114 -0.00122 -0.00022 -0.00088 0.00002 199 3PZ 0.00084 -0.00080 -0.00007 -0.00106 0.00001 200 4XX -0.00001 0.00002 0.00001 -0.00001 0.00000 201 4YY 0.00016 -0.00006 0.00007 0.00003 0.00000 202 4ZZ -0.00013 0.00002 -0.00010 -0.00002 0.00000 203 4XY -0.00013 0.00004 -0.00007 -0.00001 0.00000 204 4XZ 0.00010 -0.00005 0.00002 -0.00001 0.00000 205 4YZ 0.00005 -0.00005 -0.00003 -0.00003 0.00000 206 19 C 1S 0.00004 0.00013 0.00000 0.00023 0.00000 207 2S -0.00004 -0.00006 0.00011 -0.00003 0.00001 208 2PX -0.00242 0.00083 -0.00050 -0.00061 -0.00004 209 2PY 0.00179 -0.00133 0.00026 -0.00047 0.00003 210 2PZ 0.00199 -0.00127 0.00061 -0.00042 0.00004 211 3S -0.00002 -0.00334 -0.00150 -0.00649 0.00002 212 3PX -0.00198 -0.00042 -0.00110 -0.00229 -0.00002 213 3PY 0.00229 -0.00279 -0.00023 -0.00240 0.00008 214 3PZ 0.00123 -0.00171 -0.00006 -0.00254 0.00002 215 4XX -0.00002 -0.00011 -0.00008 -0.00028 0.00000 216 4YY -0.00005 0.00013 0.00008 0.00020 0.00000 217 4ZZ 0.00006 -0.00002 -0.00001 0.00007 0.00000 218 4XY 0.00006 -0.00011 -0.00002 -0.00016 0.00000 219 4XZ -0.00005 0.00000 -0.00002 -0.00003 0.00000 220 4YZ 0.00002 0.00003 0.00004 0.00012 0.00000 221 20 C 1S 0.00014 -0.00012 -0.00029 -0.00024 0.00002 222 2S -0.00034 0.00015 0.00029 -0.00026 -0.00003 223 2PX -0.00126 -0.00009 -0.00077 -0.00239 -0.00004 224 2PY 0.00078 0.00122 0.00134 0.00316 -0.00001 225 2PZ 0.00029 0.00071 0.00017 0.00239 0.00001 226 3S 0.00061 0.00251 0.00188 0.00803 -0.00003 227 3PX -0.00028 -0.00345 -0.00202 -0.00690 0.00000 228 3PY -0.00071 0.00133 0.00057 0.00148 -0.00011 229 3PZ 0.00213 -0.00251 -0.00025 -0.00052 0.00010 230 4XX 0.00017 -0.00015 0.00003 -0.00014 0.00000 231 4YY 0.00000 0.00006 0.00006 -0.00001 0.00000 232 4ZZ -0.00014 0.00011 -0.00003 0.00015 0.00000 233 4XY -0.00005 0.00010 0.00004 0.00020 0.00000 234 4XZ 0.00003 -0.00010 0.00000 -0.00015 0.00000 235 4YZ -0.00010 0.00004 -0.00005 -0.00003 0.00000 236 21 H 1S 0.00011 0.00052 0.00070 0.00088 -0.00002 237 2S 0.00182 -0.00219 0.00000 -0.00261 0.00013 238 22 H 1S -0.00004 0.00003 -0.00016 0.00007 0.00000 239 2S -0.00039 0.00019 -0.00026 -0.00014 -0.00001 240 23 H 1S 0.00002 -0.00007 -0.00019 -0.00007 0.00000 241 2S 0.00010 -0.00004 -0.00018 0.00021 0.00000 242 24 H 1S 0.00053 -0.00017 0.00034 0.00037 0.00000 243 2S 0.00030 0.00014 0.00043 0.00071 0.00000 244 25 H 1S -0.00098 0.00093 0.00119 -0.00032 0.00002 245 2S -0.00053 0.00094 0.00056 -0.00021 0.00003 246 26 O 1S -0.00026 -0.00044 -0.00042 -0.00173 -0.00009 247 2S 0.00054 0.00147 0.00150 0.00480 0.00016 248 2PX 0.00608 -0.00360 0.00584 0.00550 0.00029 249 2PY -0.00507 -0.00072 -0.00527 -0.00010 -0.00031 250 2PZ -0.00013 -0.00007 -0.00200 -0.00214 -0.00018 251 3S 0.00286 0.00007 0.00341 0.00630 0.00064 252 3PX 0.00419 -0.00350 0.00350 0.00161 0.00021 253 3PY -0.00377 -0.00125 -0.00404 -0.00041 -0.00025 254 3PZ -0.00003 0.00039 -0.00091 -0.00034 -0.00022 255 4XX -0.00037 0.00037 -0.00034 -0.00014 -0.00005 256 4YY 0.00005 0.00009 0.00003 0.00065 -0.00002 257 4ZZ -0.00014 0.00040 0.00018 0.00059 0.00000 258 4XY 0.00025 0.00004 0.00038 0.00006 0.00003 259 4XZ 0.00011 -0.00002 0.00023 0.00044 0.00002 260 4YZ 0.00008 -0.00013 -0.00003 -0.00002 -0.00002 261 27 H 1S -0.00256 0.00117 -0.00313 -0.00344 -0.00018 262 2S -0.00170 -0.00033 -0.00191 -0.00433 -0.00015 263 28 H 1S 0.00457 -0.00138 -0.00048 0.00108 -0.00004 264 2S 0.00642 -0.00126 0.00114 0.00436 -0.00006 86 87 88 89 90 86 4YY 0.00155 87 4ZZ -0.00053 0.00070 88 4XY -0.00038 0.00018 0.00236 89 4XZ 0.00031 -0.00014 0.00008 0.00080 90 4YZ -0.00003 -0.00026 -0.00049 0.00006 0.00093 91 7 C 1S 0.00211 -0.00025 -0.00387 0.00393 0.00147 92 2S -0.00586 -0.00017 0.00734 -0.00710 -0.00249 93 2PX -0.00635 0.00283 0.00915 -0.01045 -0.00500 94 2PY -0.00903 0.00110 -0.00552 -0.00610 0.00327 95 2PZ 0.00315 0.00943 -0.00706 -0.00457 -0.00116 96 3S -0.00432 -0.00030 0.00488 -0.00515 -0.00124 97 3PX -0.00344 0.00334 0.00300 -0.00497 -0.00246 98 3PY -0.00402 0.00046 -0.00620 -0.00344 0.00256 99 3PZ 0.00084 0.00751 -0.00380 -0.00530 -0.00246 100 4XX -0.00034 -0.00026 -0.00022 -0.00054 0.00047 101 4YY 0.00063 0.00021 0.00051 0.00021 -0.00037 102 4ZZ -0.00003 -0.00002 -0.00016 0.00027 -0.00025 103 4XY 0.00022 0.00005 0.00096 -0.00028 -0.00046 104 4XZ 0.00037 -0.00001 -0.00001 0.00038 0.00041 105 4YZ -0.00026 0.00034 -0.00073 -0.00024 0.00022 106 8 C 1S 0.00094 0.00008 0.00144 0.00005 -0.00084 107 2S -0.00158 0.00001 -0.00332 -0.00020 0.00178 108 2PX -0.00382 0.00307 -0.00661 -0.00386 0.00058 109 2PY 0.00162 0.00140 0.00340 -0.00043 -0.00336 110 2PZ -0.00138 0.00713 -0.00263 -0.00442 -0.00593 111 3S -0.00198 0.00051 -0.00069 0.00045 0.00086 112 3PX -0.00170 0.00291 -0.00280 -0.00189 -0.00146 113 3PY 0.00035 0.00109 0.00236 -0.00059 -0.00222 114 3PZ -0.00176 0.00542 -0.00337 -0.00350 -0.00481 115 4XX -0.00042 0.00027 0.00005 -0.00045 -0.00008 116 4YY 0.00030 -0.00006 0.00000 0.00025 -0.00004 117 4ZZ 0.00005 -0.00018 0.00015 0.00017 0.00003 118 4XY 0.00016 -0.00005 0.00020 0.00017 -0.00012 119 4XZ 0.00015 0.00031 -0.00022 -0.00020 -0.00008 120 4YZ -0.00010 -0.00028 0.00003 0.00019 0.00009 121 9 H 1S -0.00002 0.00003 0.00133 0.00042 -0.00061 122 2S -0.00039 0.00017 0.00250 -0.00010 -0.00101 123 10 H 1S 0.00480 0.00049 0.00538 0.00128 -0.00330 124 2S 0.00528 0.00007 0.00255 0.00224 -0.00217 125 11 H 1S 0.00455 -0.00498 -0.01879 -0.00322 0.00550 126 2S 0.00181 -0.00212 -0.01299 -0.00086 0.00456 127 12 H 1S -0.00285 0.00165 0.00708 -0.00227 -0.00222 128 2S -0.00466 0.00154 0.00474 -0.00236 -0.00078 129 13 H 1S -0.00108 0.00015 0.00166 -0.00012 -0.00043 130 2S -0.00003 0.00006 0.00242 0.00006 -0.00096 131 14 O 1S -0.00007 0.00002 0.00003 -0.00005 0.00001 132 2S 0.00019 -0.00009 -0.00004 0.00012 0.00004 133 2PX 0.00058 -0.00009 -0.00038 0.00021 0.00030 134 2PY 0.00006 0.00010 -0.00014 -0.00021 0.00003 135 2PZ 0.00001 0.00022 0.00014 -0.00029 -0.00009 136 3S 0.00009 -0.00006 -0.00019 0.00018 -0.00021 137 3PX 0.00046 -0.00001 -0.00024 0.00013 0.00026 138 3PY 0.00009 0.00007 -0.00013 -0.00024 0.00021 139 3PZ 0.00005 0.00021 0.00011 -0.00032 0.00001 140 4XX 0.00001 -0.00002 0.00003 0.00001 0.00001 141 4YY 0.00000 -0.00001 0.00000 0.00001 0.00003 142 4ZZ 0.00002 -0.00001 0.00002 0.00000 0.00001 143 4XY -0.00002 0.00000 0.00004 0.00000 -0.00001 144 4XZ 0.00002 -0.00002 -0.00002 0.00002 0.00002 145 4YZ 0.00001 0.00000 -0.00002 0.00000 0.00001 146 15 C 1S 0.00000 0.00003 0.00004 0.00002 0.00003 147 2S -0.00006 0.00006 -0.00015 -0.00003 -0.00013 148 2PX -0.00009 0.00011 -0.00023 -0.00007 -0.00009 149 2PY 0.00001 -0.00004 0.00010 0.00008 0.00001 150 2PZ 0.00002 -0.00006 0.00006 0.00005 0.00001 151 3S 0.00015 -0.00005 0.00006 -0.00010 0.00030 152 3PX -0.00003 -0.00005 -0.00011 -0.00007 0.00022 153 3PY -0.00007 0.00003 -0.00008 0.00007 -0.00005 154 3PZ 0.00000 -0.00009 0.00014 -0.00006 0.00014 155 4XX 0.00000 0.00000 0.00002 0.00000 0.00000 156 4YY 0.00000 0.00001 -0.00002 -0.00001 -0.00002 157 4ZZ 0.00000 0.00001 -0.00002 0.00000 -0.00002 158 4XY -0.00001 0.00001 -0.00001 -0.00001 0.00000 159 4XZ -0.00001 0.00001 -0.00001 0.00000 -0.00001 160 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 161 16 C 1S -0.00001 0.00001 0.00003 0.00002 -0.00001 162 2S 0.00000 0.00005 -0.00011 -0.00006 -0.00003 163 2PX -0.00004 0.00007 -0.00026 -0.00010 -0.00006 164 2PY 0.00003 -0.00005 0.00013 0.00001 0.00003 165 2PZ 0.00004 -0.00007 0.00009 0.00005 0.00008 166 3S -0.00001 -0.00013 -0.00004 0.00013 0.00010 167 3PX -0.00004 0.00002 -0.00027 0.00000 -0.00005 168 3PY -0.00004 0.00002 0.00000 0.00003 -0.00006 169 3PZ 0.00007 -0.00005 0.00011 0.00004 0.00003 170 4XX 0.00000 0.00001 0.00001 0.00000 -0.00001 171 4YY 0.00000 0.00001 -0.00001 0.00000 -0.00001 172 4ZZ 0.00000 0.00001 -0.00002 -0.00001 -0.00001 173 4XY 0.00000 0.00001 -0.00001 0.00000 -0.00001 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 176 17 C 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 177 2S 0.00000 0.00001 0.00000 0.00000 -0.00002 178 2PX -0.00001 0.00004 -0.00008 -0.00002 -0.00002 179 2PY 0.00000 0.00000 0.00005 0.00003 0.00000 180 2PZ 0.00000 -0.00001 0.00008 0.00003 0.00000 181 3S -0.00002 0.00002 -0.00005 0.00001 -0.00008 182 3PX -0.00001 0.00006 -0.00010 -0.00003 -0.00005 183 3PY 0.00001 -0.00002 0.00004 0.00001 0.00002 184 3PZ -0.00003 0.00002 0.00000 0.00002 -0.00004 185 4XX 0.00000 0.00001 -0.00002 -0.00001 -0.00001 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00001 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 193 2PX 0.00003 -0.00004 0.00009 0.00002 0.00004 194 2PY -0.00001 0.00003 -0.00007 -0.00001 -0.00002 195 2PZ -0.00003 0.00002 -0.00009 -0.00002 -0.00003 196 3S -0.00002 0.00000 -0.00003 0.00000 0.00000 197 3PX 0.00003 -0.00005 0.00011 0.00002 0.00007 198 3PY -0.00001 0.00001 -0.00005 -0.00001 -0.00001 199 3PZ -0.00001 0.00005 -0.00012 -0.00003 -0.00002 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00001 208 2PX 0.00001 -0.00003 0.00008 0.00005 0.00000 209 2PY -0.00002 0.00001 -0.00004 -0.00003 0.00000 210 2PZ -0.00002 0.00002 -0.00006 -0.00004 0.00000 211 3S -0.00007 0.00003 -0.00004 0.00004 -0.00019 212 3PX -0.00002 -0.00002 0.00008 0.00006 -0.00007 213 3PY -0.00005 -0.00001 -0.00003 -0.00001 -0.00003 214 3PZ -0.00003 0.00005 -0.00008 -0.00002 -0.00008 215 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 221 20 C 1S -0.00001 0.00001 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 -0.00002 0.00001 -0.00004 223 2PX 0.00000 0.00005 -0.00012 0.00001 -0.00006 224 2PY 0.00004 -0.00004 0.00006 0.00000 0.00004 225 2PZ 0.00001 -0.00002 0.00009 0.00000 0.00003 226 3S 0.00010 -0.00008 0.00010 -0.00008 0.00023 227 3PX -0.00005 0.00003 -0.00009 0.00004 -0.00018 228 3PY 0.00004 0.00003 0.00006 0.00001 -0.00008 229 3PZ -0.00005 -0.00007 0.00011 0.00000 0.00002 230 4XX -0.00001 0.00001 -0.00001 -0.00001 0.00000 231 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 232 4ZZ 0.00000 -0.00001 0.00001 0.00001 0.00000 233 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 234 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00002 -0.00001 -0.00001 0.00000 0.00000 237 2S -0.00006 -0.00006 -0.00003 0.00003 0.00001 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00001 0.00000 0.00000 -0.00002 240 23 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 241 2S 0.00000 0.00000 0.00001 0.00000 0.00001 242 24 H 1S 0.00000 -0.00001 0.00001 -0.00001 0.00000 243 2S 0.00001 -0.00001 0.00002 -0.00001 0.00002 244 25 H 1S 0.00000 0.00001 -0.00006 -0.00003 0.00001 245 2S -0.00005 0.00006 -0.00015 -0.00006 0.00001 246 26 O 1S -0.00001 0.00005 0.00003 -0.00001 -0.00011 247 2S 0.00005 -0.00011 -0.00002 0.00002 0.00026 248 2PX 0.00013 -0.00018 -0.00005 0.00005 0.00026 249 2PY -0.00012 0.00024 0.00023 -0.00011 -0.00031 250 2PZ 0.00002 0.00012 0.00000 0.00000 -0.00016 251 3S 0.00011 -0.00046 -0.00012 0.00014 0.00069 252 3PX 0.00004 -0.00008 -0.00012 0.00004 0.00009 253 3PY -0.00009 0.00015 0.00025 -0.00006 -0.00024 254 3PZ 0.00003 0.00015 0.00003 -0.00004 -0.00016 255 4XX 0.00000 0.00003 0.00001 -0.00001 -0.00002 256 4YY 0.00001 0.00000 0.00003 -0.00001 0.00000 257 4ZZ 0.00001 -0.00001 0.00002 0.00000 0.00002 258 4XY 0.00001 -0.00002 -0.00001 0.00001 0.00003 259 4XZ 0.00000 -0.00002 0.00000 0.00000 0.00003 260 4YZ 0.00000 0.00001 0.00000 -0.00001 -0.00001 261 27 H 1S -0.00006 0.00014 0.00001 -0.00002 -0.00020 262 2S -0.00010 0.00015 0.00004 -0.00003 -0.00029 263 28 H 1S 0.00013 -0.00003 -0.00004 0.00004 0.00007 264 2S 0.00015 -0.00003 -0.00015 0.00000 0.00013 91 92 93 94 95 91 7 C 1S 2.05980 92 2S -0.09480 0.29478 93 2PX 0.00002 0.00071 0.38501 94 2PY -0.00040 0.00508 -0.00805 0.39341 95 2PZ -0.00005 -0.00089 -0.03748 -0.01661 0.31261 96 3S -0.14351 0.21774 -0.00424 -0.00940 0.00266 97 3PX 0.00111 -0.00319 0.14970 0.01534 0.03327 98 3PY 0.01318 -0.03759 0.01181 0.20713 0.00115 99 3PZ -0.00315 0.00918 0.03364 -0.00101 0.21988 100 4XX -0.00534 0.00405 0.00549 0.01382 -0.00444 101 4YY -0.00944 0.01105 -0.00849 -0.02293 0.01211 102 4ZZ -0.00030 -0.00797 0.00181 -0.00029 -0.00529 103 4XY 0.00022 -0.00085 0.01967 -0.01001 -0.00141 104 4XZ 0.00316 -0.00745 -0.00637 -0.00410 0.00332 105 4YZ 0.00241 -0.00490 -0.00165 0.01184 0.00865 106 8 C 1S 0.01657 -0.03242 0.05669 -0.04906 -0.01368 107 2S -0.03303 0.05803 -0.11523 0.09982 0.02943 108 2PX -0.05722 0.11492 -0.13877 0.16139 0.10550 109 2PY 0.04928 -0.09844 0.16620 -0.11316 -0.00950 110 2PZ 0.01441 -0.02838 0.10596 -0.00771 0.14656 111 3S -0.00702 0.03839 -0.07486 0.04699 0.01222 112 3PX -0.01813 0.04947 -0.04957 0.03893 0.07333 113 3PY 0.00665 -0.01409 0.06627 -0.06092 0.00668 114 3PZ 0.00626 -0.01740 0.06630 0.02363 0.10700 115 4XX -0.00298 0.00439 0.00440 0.01115 0.00474 116 4YY -0.00139 0.00083 -0.00530 -0.00905 0.00108 117 4ZZ 0.00140 -0.00335 0.00249 -0.00307 -0.00599 118 4XY 0.00611 -0.01163 0.01155 -0.00795 -0.00464 119 4XZ 0.00097 -0.00145 0.00235 -0.00318 0.00995 120 4YZ -0.00193 0.00401 -0.00662 0.00295 -0.00732 121 9 H 1S 0.01108 -0.02504 0.03701 -0.01266 -0.01192 122 2S 0.00907 -0.01711 0.05524 -0.02381 -0.01822 123 10 H 1S -0.05773 0.10949 -0.02785 -0.24423 0.06119 124 2S -0.01146 0.02488 -0.02096 -0.17531 0.04475 125 11 H 1S 0.01126 -0.02485 -0.03831 0.00235 0.01588 126 2S 0.01012 -0.01893 -0.06080 0.00219 0.02552 127 12 H 1S -0.00657 0.01525 0.02262 0.01014 -0.01146 128 2S -0.00729 0.01532 0.03504 0.02049 -0.01872 129 13 H 1S -0.00132 0.00194 -0.00039 0.00314 -0.00006 130 2S 0.00004 0.00051 0.00128 -0.00526 -0.00006 131 14 O 1S -0.00039 0.00073 -0.00088 0.00147 0.00061 132 2S 0.00085 -0.00173 0.00088 -0.00320 -0.00142 133 2PX 0.00306 -0.00695 0.00713 -0.00755 -0.00018 134 2PY -0.00297 0.00550 -0.00555 0.00872 0.00707 135 2PZ 0.00045 -0.00118 0.00543 -0.00085 0.00851 136 3S 0.00151 -0.00219 0.00832 -0.00860 -0.00552 137 3PX 0.00334 -0.00753 0.00914 -0.00948 0.00090 138 3PY -0.00268 0.00507 -0.00617 0.00951 0.00764 139 3PZ 0.00000 -0.00001 0.00519 0.00033 0.00860 140 4XX -0.00008 0.00007 -0.00062 0.00022 -0.00016 141 4YY 0.00003 -0.00005 -0.00028 -0.00005 -0.00030 142 4ZZ -0.00001 -0.00008 -0.00010 -0.00001 0.00025 143 4XY -0.00002 0.00006 -0.00005 -0.00012 -0.00022 144 4XZ 0.00002 -0.00004 -0.00009 -0.00007 -0.00028 145 4YZ -0.00010 0.00018 -0.00035 0.00031 0.00010 146 15 C 1S 0.00008 -0.00075 0.00056 -0.00026 -0.00032 147 2S -0.00028 0.00124 -0.00102 0.00083 0.00114 148 2PX -0.00082 0.00221 -0.00218 0.00219 0.00267 149 2PY 0.00047 -0.00079 0.00089 -0.00098 -0.00251 150 2PZ 0.00024 -0.00005 -0.00009 -0.00068 -0.00187 151 3S 0.00003 0.00045 0.00037 -0.00138 0.00268 152 3PX -0.00157 0.00319 -0.00421 0.00365 0.00127 153 3PY 0.00083 -0.00205 0.00070 -0.00049 -0.00145 154 3PZ -0.00089 0.00221 -0.00087 0.00200 -0.00116 155 4XX 0.00005 -0.00014 0.00033 -0.00018 -0.00021 156 4YY -0.00003 0.00009 0.00007 0.00003 0.00024 157 4ZZ -0.00006 0.00005 -0.00013 0.00009 0.00021 158 4XY -0.00004 0.00011 -0.00016 0.00011 0.00020 159 4XZ -0.00004 0.00012 -0.00011 0.00009 0.00008 160 4YZ -0.00003 0.00008 -0.00012 0.00013 0.00003 161 16 C 1S 0.00015 -0.00049 0.00070 -0.00030 -0.00040 162 2S -0.00038 0.00111 -0.00118 0.00059 0.00213 163 2PX -0.00099 0.00261 -0.00285 0.00233 0.00324 164 2PY 0.00044 -0.00109 0.00135 -0.00132 -0.00109 165 2PZ 0.00020 -0.00047 -0.00009 -0.00103 -0.00141 166 3S 0.00007 -0.00031 -0.00252 -0.00008 -0.00310 167 3PX -0.00039 0.00111 -0.00319 0.00279 0.00097 168 3PY 0.00059 -0.00169 0.00099 -0.00028 -0.00085 169 3PZ 0.00049 -0.00098 0.00074 -0.00203 -0.00066 170 4XX 0.00007 -0.00017 0.00047 -0.00018 -0.00005 171 4YY 0.00000 0.00002 -0.00003 -0.00003 0.00013 172 4ZZ -0.00008 0.00019 -0.00022 0.00012 0.00041 173 4XY -0.00004 0.00009 -0.00015 0.00008 0.00015 174 4XZ -0.00002 0.00004 -0.00006 -0.00002 0.00001 175 4YZ 0.00004 -0.00009 0.00018 -0.00013 -0.00012 176 17 C 1S -0.00003 0.00007 -0.00013 0.00003 0.00006 177 2S 0.00006 -0.00011 0.00022 -0.00011 -0.00004 178 2PX -0.00014 0.00067 -0.00068 0.00064 0.00094 179 2PY 0.00019 -0.00069 0.00081 -0.00048 -0.00076 180 2PZ 0.00026 -0.00091 0.00111 -0.00063 -0.00094 181 3S 0.00028 -0.00053 0.00034 0.00047 -0.00014 182 3PX -0.00006 0.00045 -0.00063 0.00053 0.00134 183 3PY 0.00017 -0.00052 0.00051 -0.00015 -0.00055 184 3PZ 0.00029 -0.00095 0.00076 0.00008 -0.00059 185 4XX -0.00006 0.00016 -0.00020 0.00018 0.00024 186 4YY 0.00002 -0.00005 0.00006 -0.00003 -0.00004 187 4ZZ 0.00003 -0.00007 0.00005 -0.00008 -0.00012 188 4XY 0.00002 -0.00003 0.00004 -0.00002 -0.00001 189 4XZ -0.00001 0.00003 -0.00007 0.00006 0.00003 190 4YZ 0.00004 -0.00009 0.00010 -0.00008 -0.00013 191 18 C 1S 0.00001 -0.00003 0.00006 -0.00001 -0.00003 192 2S -0.00001 0.00005 -0.00013 0.00002 0.00004 193 2PX 0.00038 -0.00060 0.00096 -0.00101 -0.00109 194 2PY -0.00021 0.00035 -0.00055 0.00062 0.00069 195 2PZ -0.00037 0.00072 -0.00114 0.00094 0.00091 196 3S -0.00031 0.00065 -0.00081 0.00078 -0.00004 197 3PX 0.00035 -0.00062 0.00105 -0.00093 -0.00108 198 3PY -0.00041 0.00079 -0.00083 0.00074 0.00045 199 3PZ -0.00033 0.00058 -0.00110 0.00087 0.00148 200 4XX 0.00000 0.00000 -0.00002 0.00000 -0.00002 201 4YY -0.00002 0.00007 -0.00007 0.00006 0.00008 202 4ZZ 0.00002 -0.00008 0.00010 -0.00007 -0.00009 203 4XY 0.00001 -0.00005 0.00005 -0.00004 -0.00007 204 4XZ -0.00001 0.00003 -0.00003 0.00003 0.00005 205 4YZ 0.00000 0.00000 0.00000 0.00001 0.00001 206 19 C 1S 0.00002 -0.00007 0.00010 -0.00006 0.00002 207 2S -0.00005 0.00015 -0.00018 0.00012 0.00002 208 2PX 0.00022 -0.00063 0.00058 -0.00071 -0.00122 209 2PY -0.00021 0.00062 -0.00064 0.00060 0.00067 210 2PZ -0.00027 0.00081 -0.00084 0.00078 0.00087 211 3S 0.00004 0.00017 -0.00026 -0.00015 -0.00086 212 3PX 0.00022 -0.00055 0.00080 -0.00087 -0.00169 213 3PY -0.00059 0.00148 -0.00151 0.00145 -0.00021 214 3PZ -0.00006 0.00032 -0.00049 0.00017 0.00082 215 4XX -0.00003 0.00004 -0.00010 0.00007 0.00008 216 4YY 0.00003 -0.00005 0.00008 -0.00008 -0.00009 217 4ZZ 0.00001 -0.00002 0.00004 -0.00002 -0.00003 218 4XY -0.00002 0.00003 -0.00005 0.00004 0.00001 219 4XZ 0.00001 -0.00003 0.00004 -0.00004 -0.00005 220 4YZ 0.00002 -0.00003 0.00007 -0.00006 -0.00009 221 20 C 1S -0.00004 0.00015 -0.00017 0.00017 -0.00002 222 2S 0.00012 -0.00032 0.00034 -0.00033 0.00016 223 2PX -0.00029 0.00022 -0.00079 0.00067 0.00140 224 2PY 0.00034 -0.00058 0.00100 -0.00088 -0.00067 225 2PZ 0.00037 -0.00054 0.00114 -0.00075 -0.00096 226 3S -0.00057 0.00106 0.00036 0.00089 0.00091 227 3PX -0.00049 0.00087 -0.00119 0.00086 -0.00013 228 3PY 0.00107 -0.00204 0.00321 -0.00316 0.00014 229 3PZ -0.00057 0.00157 -0.00070 0.00129 -0.00207 230 4XX -0.00005 0.00014 -0.00012 0.00017 0.00025 231 4YY -0.00001 -0.00002 0.00000 0.00002 0.00012 232 4ZZ 0.00004 -0.00007 0.00009 -0.00008 -0.00020 233 4XY 0.00002 -0.00005 0.00007 -0.00007 -0.00007 234 4XZ -0.00003 0.00008 -0.00007 0.00009 0.00009 235 4YZ 0.00001 -0.00002 0.00001 -0.00003 -0.00005 236 21 H 1S 0.00008 -0.00028 0.00026 -0.00027 0.00016 237 2S -0.00081 0.00168 -0.00277 0.00250 -0.00138 238 22 H 1S 0.00002 -0.00006 0.00006 -0.00003 0.00001 239 2S 0.00014 -0.00034 0.00039 -0.00039 0.00016 240 23 H 1S 0.00001 -0.00005 0.00008 -0.00002 -0.00003 241 2S 0.00000 -0.00003 0.00013 -0.00001 0.00001 242 24 H 1S 0.00001 -0.00001 0.00010 -0.00005 0.00004 243 2S 0.00001 0.00000 0.00008 -0.00011 0.00014 244 25 H 1S -0.00035 0.00099 -0.00118 0.00044 0.00091 245 2S -0.00051 0.00094 -0.00162 0.00227 0.00178 246 26 O 1S 0.00049 -0.00110 0.00236 -0.00080 0.00079 247 2S -0.00072 0.00185 -0.00393 0.00090 -0.00156 248 2PX -0.00042 0.00292 -0.00374 0.00083 -0.00352 249 2PY 0.00185 -0.00422 0.00885 -0.00270 0.00333 250 2PZ 0.00092 -0.00246 0.00342 -0.00131 0.00036 251 3S -0.00358 0.00792 -0.01616 0.00614 -0.00597 252 3PX -0.00042 0.00234 -0.00321 0.00085 -0.00216 253 3PY 0.00164 -0.00367 0.00762 -0.00272 0.00143 254 3PZ 0.00137 -0.00298 0.00526 -0.00207 0.00137 255 4XX 0.00016 -0.00044 0.00073 -0.00030 0.00051 256 4YY 0.00023 -0.00041 0.00081 -0.00037 0.00003 257 4ZZ 0.00010 -0.00017 0.00028 -0.00028 -0.00016 258 4XY -0.00011 0.00026 -0.00061 0.00008 -0.00040 259 4XZ -0.00012 0.00030 -0.00044 0.00021 -0.00011 260 4YZ 0.00009 -0.00016 0.00043 -0.00010 0.00011 261 27 H 1S 0.00057 -0.00212 0.00305 -0.00104 0.00142 262 2S 0.00074 -0.00191 0.00398 -0.00144 0.00084 263 28 H 1S -0.00012 -0.00042 -0.00045 -0.00011 -0.00041 264 2S -0.00058 0.00103 -0.00133 0.00218 0.00094 96 97 98 99 100 96 3S 0.17091 97 3PX -0.00471 0.07035 98 3PY -0.02901 0.01709 0.12510 99 3PZ 0.00703 0.04775 0.00649 0.16768 100 4XX 0.00363 0.00225 0.00870 -0.00223 0.00136 101 4YY 0.00864 -0.00308 -0.01514 0.00732 -0.00126 102 4ZZ -0.00607 0.00010 0.00080 -0.00366 -0.00029 103 4XY -0.00069 0.00697 -0.00487 0.00182 -0.00011 104 4XZ -0.00534 -0.00233 -0.00203 0.00113 -0.00019 105 4YZ -0.00385 0.00145 0.00764 0.00584 0.00023 106 8 C 1S -0.01392 0.00934 -0.02148 0.00041 -0.00329 107 2S 0.04912 -0.02286 0.05552 -0.00029 0.00469 108 2PX 0.06623 -0.04521 0.04046 0.07074 -0.00408 109 2PY -0.08533 0.05815 -0.06346 0.01699 -0.01009 110 2PZ -0.01808 0.07184 0.02252 0.11274 -0.00288 111 3S 0.03051 -0.01390 0.02500 -0.00724 0.00213 112 3PX 0.02231 -0.01546 -0.00609 0.05433 -0.00565 113 3PY -0.01448 0.02107 -0.03989 0.01614 -0.00548 114 3PZ -0.01240 0.04997 0.02988 0.08310 -0.00213 115 4XX 0.00406 0.00426 0.00794 0.00369 0.00094 116 4YY -0.00006 -0.00271 -0.00660 -0.00025 -0.00084 117 4ZZ -0.00229 -0.00012 -0.00112 -0.00380 0.00013 118 4XY -0.00840 0.00452 -0.00140 -0.00298 -0.00013 119 4XZ -0.00168 0.00129 -0.00256 0.00809 -0.00057 120 4YZ 0.00266 -0.00442 -0.00005 -0.00651 -0.00017 121 9 H 1S -0.00465 0.02805 0.02524 -0.01460 0.00593 122 2S -0.00660 0.02559 0.00439 -0.01043 0.00322 123 10 H 1S 0.08938 -0.01665 -0.14684 0.03670 -0.00881 124 2S 0.02432 -0.01164 -0.09826 0.02514 -0.00726 125 11 H 1S -0.01008 -0.02237 0.03091 0.00295 0.00445 126 2S -0.00988 -0.02565 0.01697 0.00731 0.00175 127 12 H 1S 0.00043 0.01456 -0.00419 -0.00504 0.00049 128 2S 0.00575 0.01839 0.00668 -0.00881 0.00160 129 13 H 1S 0.02086 -0.00301 0.00780 -0.00015 -0.00043 130 2S 0.01080 -0.00075 -0.00274 0.00044 -0.00131 131 14 O 1S 0.00331 -0.00240 0.00191 0.00125 0.00014 132 2S -0.00807 0.00501 -0.00457 -0.00295 -0.00027 133 2PX -0.00221 0.01340 -0.00410 -0.00244 0.00017 134 2PY 0.01013 0.00052 0.00977 0.00688 0.00193 135 2PZ -0.00340 0.00092 0.00026 0.01187 0.00146 136 3S -0.00776 0.00712 -0.00703 -0.00552 -0.00078 137 3PX -0.00325 0.01251 -0.00458 -0.00061 0.00010 138 3PY 0.00729 -0.00023 0.00831 0.00725 0.00183 139 3PZ -0.00089 0.00126 0.00129 0.01134 0.00143 140 4XX 0.00027 -0.00018 0.00021 -0.00025 0.00002 141 4YY -0.00057 -0.00029 -0.00045 -0.00034 -0.00008 142 4ZZ -0.00008 0.00016 0.00009 0.00028 0.00009 143 4XY -0.00012 -0.00036 -0.00008 -0.00015 -0.00004 144 4XZ -0.00004 0.00005 -0.00013 -0.00027 0.00000 145 4YZ 0.00051 -0.00012 0.00032 -0.00003 -0.00002 146 15 C 1S 0.00712 -0.00371 0.00260 0.00119 0.00014 147 2S -0.00631 0.00316 -0.00265 -0.00044 -0.00039 148 2PX 0.00018 -0.00039 -0.00168 0.00515 -0.00066 149 2PY -0.00032 0.00100 0.00080 -0.00446 0.00022 150 2PZ -0.00594 0.00311 -0.00189 -0.00501 0.00013 151 3S -0.00670 0.00555 -0.00316 0.00216 0.00034 152 3PX 0.00185 -0.00298 -0.00054 0.00388 -0.00005 153 3PY -0.00384 0.00318 0.00003 -0.00375 0.00010 154 3PZ -0.00261 0.00079 -0.00019 -0.00341 0.00051 155 4XX -0.00033 0.00044 -0.00010 -0.00030 0.00002 156 4YY -0.00022 -0.00011 -0.00028 0.00037 -0.00004 157 4ZZ 0.00036 -0.00014 0.00027 0.00015 -0.00004 158 4XY -0.00003 0.00018 0.00002 -0.00003 -0.00001 159 4XZ -0.00023 -0.00001 -0.00021 0.00013 -0.00004 160 4YZ 0.00024 -0.00032 -0.00001 0.00018 -0.00001 161 16 C 1S 0.00142 -0.00175 -0.00015 0.00088 0.00011 162 2S -0.00246 0.00165 -0.00107 0.00086 -0.00026 163 2PX -0.00395 -0.00106 -0.00371 0.00574 -0.00061 164 2PY -0.00320 0.00304 -0.00005 -0.00349 0.00029 165 2PZ -0.00046 0.00315 0.00226 -0.00491 0.00012 166 3S -0.00342 0.00140 -0.00067 -0.00363 -0.00006 167 3PX -0.00175 -0.00269 -0.00205 0.00321 -0.00052 168 3PY -0.00081 0.00161 0.00095 -0.00328 0.00009 169 3PZ 0.00019 0.00252 0.00156 -0.00323 0.00001 170 4XX 0.00030 0.00011 0.00018 0.00005 0.00001 171 4YY -0.00049 0.00020 -0.00021 -0.00010 -0.00001 172 4ZZ 0.00003 -0.00008 -0.00010 0.00042 -0.00005 173 4XY -0.00004 -0.00009 -0.00014 0.00024 -0.00003 174 4XZ 0.00001 0.00007 0.00004 -0.00013 0.00000 175 4YZ 0.00003 -0.00004 -0.00005 -0.00009 0.00002 176 17 C 1S -0.00025 0.00011 -0.00004 -0.00001 -0.00001 177 2S 0.00005 -0.00011 -0.00013 0.00010 0.00002 178 2PX -0.00185 -0.00064 -0.00219 0.00152 -0.00009 179 2PY 0.00366 -0.00024 0.00242 -0.00108 0.00009 180 2PZ 0.00418 -0.00059 0.00248 -0.00106 0.00015 181 3S 0.00044 -0.00076 0.00018 -0.00017 -0.00017 182 3PX -0.00234 -0.00038 -0.00227 0.00143 -0.00019 183 3PY 0.00280 -0.00025 0.00197 -0.00071 0.00002 184 3PZ 0.00279 -0.00040 0.00197 -0.00090 0.00005 185 4XX 0.00010 -0.00029 -0.00014 0.00049 -0.00004 186 4YY 0.00001 0.00002 0.00004 -0.00006 0.00001 187 4ZZ -0.00015 0.00026 0.00009 -0.00037 0.00002 188 4XY -0.00009 0.00005 -0.00005 -0.00006 0.00001 189 4XZ 0.00013 -0.00008 0.00007 0.00004 -0.00001 190 4YZ 0.00010 0.00009 0.00014 -0.00025 0.00002 191 18 C 1S 0.00012 -0.00013 0.00000 0.00003 0.00001 192 2S -0.00019 0.00035 0.00008 -0.00014 -0.00002 193 2PX -0.00326 0.00315 -0.00037 -0.00339 0.00019 194 2PY 0.00222 -0.00170 0.00035 0.00199 -0.00011 195 2PZ 0.00144 -0.00198 0.00006 0.00252 -0.00022 196 3S 0.00006 -0.00028 0.00017 -0.00024 0.00004 197 3PX -0.00281 0.00283 -0.00026 -0.00304 0.00030 198 3PY 0.00187 -0.00175 0.00029 0.00182 -0.00005 199 3PZ 0.00159 -0.00177 -0.00004 0.00286 -0.00018 200 4XX -0.00006 0.00004 -0.00002 -0.00007 0.00000 201 4YY -0.00014 -0.00009 -0.00017 0.00019 -0.00001 202 4ZZ 0.00022 0.00004 0.00019 -0.00014 0.00001 203 4XY 0.00020 0.00005 0.00017 -0.00016 0.00001 204 4XZ -0.00009 -0.00006 -0.00011 0.00012 -0.00001 205 4YZ 0.00008 -0.00009 -0.00001 0.00008 0.00000 206 19 C 1S 0.00008 -0.00004 0.00001 0.00007 0.00002 207 2S -0.00011 0.00010 -0.00004 -0.00008 0.00000 208 2PX 0.00076 0.00218 0.00216 -0.00351 0.00010 209 2PY -0.00131 -0.00146 -0.00177 0.00217 -0.00012 210 2PZ -0.00141 -0.00140 -0.00201 0.00250 -0.00014 211 3S -0.00028 -0.00081 -0.00027 -0.00100 -0.00046 212 3PX 0.00091 0.00149 0.00193 -0.00358 -0.00001 213 3PY -0.00021 -0.00242 -0.00101 0.00119 -0.00014 214 3PZ -0.00149 -0.00107 -0.00198 0.00219 -0.00032 215 4XX 0.00034 -0.00014 0.00017 0.00014 -0.00002 216 4YY -0.00026 0.00019 -0.00008 -0.00021 0.00002 217 4ZZ -0.00007 -0.00006 -0.00008 0.00004 0.00001 218 4XY 0.00005 -0.00008 -0.00001 0.00008 -0.00001 219 4XZ -0.00007 0.00006 0.00000 -0.00011 0.00000 220 4YZ -0.00025 0.00011 -0.00011 -0.00014 0.00001 221 20 C 1S 0.00082 -0.00070 -0.00011 0.00020 -0.00001 222 2S -0.00117 0.00118 0.00019 -0.00017 -0.00004 223 2PX 0.00445 -0.00054 0.00287 0.00148 -0.00020 224 2PY -0.00378 0.00155 -0.00190 -0.00089 0.00020 225 2PZ -0.00278 0.00052 -0.00144 -0.00113 0.00020 226 3S 0.00057 0.00012 0.00059 0.00109 0.00053 227 3PX 0.00429 -0.00213 0.00256 0.00000 -0.00041 228 3PY -0.00390 0.00284 -0.00235 0.00000 -0.00007 229 3PZ -0.00109 -0.00196 -0.00073 -0.00175 0.00012 230 4XX 0.00001 -0.00017 -0.00013 0.00044 -0.00003 231 4YY 0.00007 0.00008 0.00008 0.00010 -0.00001 232 4ZZ -0.00012 0.00018 0.00009 -0.00045 0.00003 233 4XY -0.00017 0.00012 -0.00003 -0.00017 0.00002 234 4XZ 0.00005 -0.00004 0.00000 0.00012 -0.00001 235 4YZ 0.00010 0.00002 0.00007 -0.00013 0.00000 236 21 H 1S -0.00105 0.00094 -0.00008 -0.00002 0.00003 237 2S 0.00050 -0.00190 0.00086 -0.00139 0.00002 238 22 H 1S 0.00022 -0.00022 0.00007 0.00011 0.00001 239 2S 0.00007 0.00009 -0.00001 0.00020 -0.00004 240 23 H 1S 0.00038 -0.00018 0.00011 0.00004 0.00001 241 2S 0.00043 -0.00020 0.00010 0.00013 0.00005 242 24 H 1S -0.00090 0.00012 -0.00053 0.00016 0.00002 243 2S -0.00071 0.00016 -0.00044 0.00022 0.00001 244 25 H 1S -0.00103 0.00119 -0.00002 -0.00002 -0.00023 245 2S 0.00039 0.00006 0.00099 0.00050 -0.00009 246 26 O 1S -0.00191 0.00319 0.00114 0.00120 -0.00013 247 2S 0.00231 -0.00520 -0.00303 -0.00229 0.00026 248 2PX -0.01411 -0.00049 -0.01147 -0.00504 0.00027 249 2PY -0.00490 0.00983 0.00618 0.00659 0.00031 250 2PZ 0.00237 0.00147 0.00358 -0.00115 0.00038 251 3S 0.00350 -0.01450 -0.00605 -0.00636 0.00030 252 3PX -0.00974 -0.00071 -0.00797 -0.00347 0.00004 253 3PY -0.00479 0.00823 0.00453 0.00398 0.00029 254 3PZ -0.00055 0.00373 0.00189 0.00031 0.00030 255 4XX 0.00098 0.00023 0.00079 0.00047 -0.00001 256 4YY -0.00046 0.00055 -0.00001 0.00015 0.00006 257 4ZZ -0.00017 0.00030 -0.00021 -0.00017 0.00004 258 4XY -0.00018 -0.00040 -0.00060 -0.00059 -0.00001 259 4XZ -0.00033 -0.00020 -0.00034 0.00006 -0.00001 260 4YZ -0.00005 0.00020 0.00007 0.00005 0.00001 261 27 H 1S 0.00632 0.00071 0.00528 0.00111 0.00001 262 2S 0.00135 0.00318 0.00256 0.00011 -0.00013 263 28 H 1S 0.00651 -0.00690 0.00105 0.00092 0.00016 264 2S 0.00590 -0.00673 0.00187 0.00265 0.00045 101 102 103 104 105 101 4YY 0.00278 102 4ZZ -0.00053 0.00059 103 4XY 0.00015 0.00010 0.00154 104 4XZ 0.00031 -0.00020 -0.00016 0.00086 105 4YZ -0.00066 0.00006 -0.00049 -0.00006 0.00087 106 8 C 1S -0.00118 0.00144 0.00612 0.00112 -0.00195 107 2S 0.00071 -0.00343 -0.01180 -0.00165 0.00412 108 2PX 0.00721 -0.00388 -0.01206 -0.00094 0.00652 109 2PY 0.00804 0.00289 0.00830 0.00278 -0.00263 110 2PZ -0.00128 0.00421 0.00597 -0.00831 0.00784 111 3S 0.00129 -0.00186 -0.00781 -0.00119 0.00234 112 3PX 0.00660 -0.00098 -0.00393 -0.00051 0.00284 113 3PY 0.00600 0.00072 0.00386 0.00061 -0.00171 114 3PZ -0.00141 0.00321 0.00250 -0.00651 0.00651 115 4XX -0.00095 -0.00008 0.00003 -0.00062 0.00054 116 4YY 0.00124 -0.00005 -0.00026 0.00021 -0.00022 117 4ZZ -0.00035 0.00012 0.00030 0.00018 -0.00032 118 4XY -0.00047 0.00052 0.00072 -0.00012 -0.00005 119 4XZ 0.00070 -0.00011 0.00023 0.00028 0.00015 120 4YZ -0.00015 0.00025 -0.00030 -0.00037 -0.00002 121 9 H 1S -0.00673 0.00141 0.00207 -0.00335 0.00091 122 2S -0.00450 0.00137 0.00392 -0.00220 -0.00045 123 10 H 1S 0.02195 -0.00389 0.00459 0.00095 -0.00815 124 2S 0.01428 -0.00149 0.00353 0.00207 -0.00513 125 11 H 1S -0.00367 0.00004 -0.00592 -0.00072 0.00345 126 2S -0.00130 -0.00026 -0.00619 0.00070 0.00304 127 12 H 1S -0.00177 -0.00009 -0.00089 -0.00002 0.00080 128 2S -0.00294 0.00004 -0.00054 -0.00073 0.00091 129 13 H 1S 0.00089 -0.00010 0.00021 0.00011 -0.00031 130 2S 0.00208 -0.00024 0.00059 0.00065 -0.00085 131 14 O 1S -0.00011 -0.00005 -0.00007 0.00001 0.00003 132 2S 0.00026 0.00009 0.00010 0.00005 -0.00007 133 2PX 0.00126 -0.00097 -0.00014 0.00147 -0.00076 134 2PY -0.00116 -0.00112 -0.00003 0.00099 -0.00041 135 2PZ -0.00009 -0.00135 0.00019 0.00188 -0.00090 136 3S 0.00042 0.00049 0.00045 -0.00040 -0.00017 137 3PX 0.00126 -0.00090 0.00002 0.00143 -0.00074 138 3PY -0.00102 -0.00112 -0.00010 0.00106 -0.00031 139 3PZ -0.00017 -0.00127 0.00025 0.00167 -0.00075 140 4XX -0.00001 -0.00001 -0.00002 0.00001 0.00000 141 4YY 0.00002 0.00006 -0.00001 -0.00005 0.00004 142 4ZZ 0.00000 -0.00008 -0.00001 0.00011 -0.00005 143 4XY 0.00000 0.00004 0.00001 -0.00006 0.00002 144 4XZ 0.00001 -0.00001 -0.00001 0.00002 -0.00001 145 4YZ -0.00002 0.00002 -0.00001 -0.00004 0.00003 146 15 C 1S 0.00000 -0.00012 -0.00010 -0.00005 0.00001 147 2S 0.00009 0.00029 0.00005 -0.00018 0.00014 148 2PX 0.00041 0.00034 -0.00007 -0.00031 0.00035 149 2PY -0.00031 0.00008 0.00010 -0.00003 -0.00011 150 2PZ -0.00028 0.00004 0.00013 0.00011 -0.00016 151 3S 0.00031 -0.00054 0.00013 0.00096 -0.00036 152 3PX 0.00014 -0.00006 -0.00017 0.00013 0.00011 153 3PY -0.00027 0.00017 0.00001 -0.00004 -0.00001 154 3PZ -0.00049 -0.00015 0.00012 0.00016 -0.00015 155 4XX -0.00002 0.00000 0.00002 0.00001 -0.00002 156 4YY 0.00003 0.00002 0.00000 -0.00002 0.00002 157 4ZZ 0.00002 0.00002 -0.00001 -0.00004 0.00003 158 4XY 0.00001 0.00000 -0.00001 0.00000 0.00001 159 4XZ 0.00001 0.00002 0.00000 -0.00001 0.00001 160 4YZ -0.00001 0.00002 0.00000 -0.00003 0.00002 161 16 C 1S -0.00014 0.00000 0.00003 -0.00011 0.00004 162 2S 0.00031 -0.00002 -0.00005 0.00013 0.00002 163 2PX 0.00055 0.00011 -0.00012 0.00001 0.00020 164 2PY -0.00024 -0.00014 0.00009 0.00014 -0.00017 165 2PZ 0.00003 -0.00016 -0.00001 0.00027 -0.00022 166 3S 0.00001 0.00011 -0.00015 0.00007 -0.00006 167 3PX 0.00037 0.00018 -0.00026 -0.00012 0.00023 168 3PY -0.00020 0.00004 -0.00002 -0.00007 -0.00002 169 3PZ 0.00017 -0.00017 0.00002 0.00025 -0.00021 170 4XX -0.00002 0.00002 0.00003 -0.00003 0.00001 171 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 172 4ZZ 0.00006 0.00000 -0.00001 0.00001 0.00001 173 4XY 0.00002 0.00002 -0.00001 -0.00002 0.00002 174 4XZ 0.00001 0.00000 0.00000 0.00001 -0.00001 175 4YZ -0.00003 0.00001 0.00001 -0.00001 0.00000 176 17 C 1S 0.00003 -0.00001 -0.00001 0.00002 -0.00001 177 2S -0.00005 0.00004 0.00002 -0.00005 0.00002 178 2PX 0.00007 0.00005 0.00000 0.00002 0.00006 179 2PY -0.00011 0.00003 0.00001 -0.00011 0.00001 180 2PZ -0.00019 0.00003 0.00002 -0.00014 0.00001 181 3S 0.00003 0.00011 -0.00004 -0.00016 0.00008 182 3PX 0.00017 0.00004 -0.00003 0.00005 0.00004 183 3PY 0.00000 -0.00001 -0.00002 -0.00004 0.00000 184 3PZ -0.00015 0.00008 -0.00002 -0.00017 0.00006 185 4XX 0.00003 0.00001 -0.00001 -0.00001 0.00002 186 4YY -0.00001 -0.00001 0.00000 0.00000 0.00000 187 4ZZ -0.00001 -0.00001 0.00000 0.00002 -0.00002 188 4XY -0.00001 0.00000 0.00000 0.00001 0.00000 189 4XZ 0.00001 0.00000 -0.00001 0.00000 0.00000 190 4YZ -0.00002 -0.00001 0.00000 0.00000 -0.00001 191 18 C 1S -0.00002 0.00001 0.00000 -0.00001 0.00000 192 2S 0.00004 -0.00001 -0.00001 0.00002 -0.00001 193 2PX -0.00010 -0.00009 0.00010 0.00020 -0.00016 194 2PY 0.00008 0.00005 -0.00006 -0.00009 0.00009 195 2PZ 0.00015 0.00007 -0.00009 -0.00012 0.00012 196 3S -0.00009 0.00003 -0.00001 -0.00003 0.00002 197 3PX -0.00017 -0.00013 0.00011 0.00023 -0.00018 198 3PY 0.00002 0.00004 -0.00004 -0.00010 0.00008 199 3PZ 0.00017 0.00003 -0.00009 -0.00005 0.00010 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00001 0.00000 0.00000 0.00001 0.00000 202 4ZZ -0.00001 0.00000 0.00000 -0.00001 0.00000 203 4XY -0.00001 0.00000 0.00000 -0.00001 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 -0.00001 0.00000 0.00001 -0.00001 207 2S 0.00000 0.00001 0.00000 0.00000 0.00000 208 2PX -0.00015 0.00003 0.00004 -0.00008 -0.00004 209 2PY 0.00007 0.00004 -0.00002 -0.00002 0.00006 210 2PZ 0.00011 0.00003 -0.00002 0.00001 0.00006 211 3S 0.00008 0.00037 -0.00003 -0.00048 0.00021 212 3PX -0.00015 0.00014 0.00005 -0.00023 0.00001 213 3PY -0.00006 0.00016 -0.00003 -0.00022 0.00013 214 3PZ 0.00022 0.00013 -0.00005 -0.00013 0.00012 215 4XX 0.00001 0.00001 -0.00001 -0.00002 0.00002 216 4YY -0.00001 -0.00001 0.00001 0.00002 -0.00001 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00001 0.00000 -0.00001 0.00001 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ -0.00001 0.00000 0.00001 0.00001 -0.00001 221 20 C 1S -0.00001 0.00003 0.00000 -0.00002 0.00001 222 2S 0.00004 0.00000 0.00000 -0.00002 0.00000 223 2PX 0.00018 0.00007 -0.00013 -0.00019 0.00016 224 2PY -0.00006 -0.00016 0.00007 0.00026 -0.00017 225 2PZ -0.00012 -0.00007 0.00010 0.00018 -0.00014 226 3S -0.00009 -0.00046 0.00005 0.00050 -0.00023 227 3PX 0.00007 0.00034 -0.00011 -0.00060 0.00028 228 3PY 0.00022 -0.00008 0.00012 0.00018 -0.00014 229 3PZ -0.00032 0.00010 0.00008 -0.00016 0.00000 230 4XX 0.00002 0.00001 0.00000 -0.00001 0.00002 231 4YY 0.00001 -0.00001 -0.00001 0.00000 0.00000 232 4ZZ -0.00003 0.00000 0.00001 0.00001 -0.00001 233 4XY -0.00001 -0.00001 0.00001 0.00001 -0.00001 234 4XZ 0.00001 0.00001 0.00000 -0.00001 0.00001 235 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00003 -0.00007 -0.00001 0.00007 -0.00004 237 2S -0.00028 0.00014 -0.00007 -0.00025 0.00011 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00006 0.00000 -0.00001 0.00000 0.00000 240 23 H 1S -0.00002 0.00001 0.00000 -0.00002 0.00001 241 2S -0.00005 0.00000 0.00001 -0.00001 0.00000 242 24 H 1S -0.00002 -0.00002 0.00001 0.00002 -0.00001 243 2S 0.00003 -0.00005 0.00000 0.00006 -0.00003 244 25 H 1S 0.00031 -0.00003 -0.00006 0.00015 -0.00003 245 2S 0.00012 -0.00002 -0.00014 0.00005 0.00008 246 26 O 1S -0.00006 0.00011 0.00012 -0.00024 0.00017 247 2S 0.00012 -0.00028 -0.00014 0.00060 -0.00039 248 2PX -0.00019 0.00007 0.00014 0.00071 -0.00042 249 2PY -0.00034 0.00015 0.00026 -0.00052 0.00044 250 2PZ -0.00003 0.00016 -0.00020 -0.00039 0.00015 251 3S 0.00019 -0.00051 -0.00064 0.00111 -0.00067 252 3PX -0.00011 0.00017 0.00005 0.00034 -0.00021 253 3PY -0.00039 0.00019 0.00031 -0.00046 0.00032 254 3PZ -0.00005 0.00013 0.00003 -0.00025 0.00012 255 4XX 0.00002 -0.00001 0.00001 -0.00005 0.00003 256 4YY -0.00003 -0.00001 0.00004 0.00002 -0.00001 257 4ZZ 0.00000 -0.00003 0.00002 0.00006 -0.00004 258 4XY 0.00002 -0.00001 -0.00002 0.00005 -0.00004 259 4XZ -0.00001 -0.00002 0.00001 0.00005 -0.00002 260 4YZ -0.00001 0.00002 0.00001 -0.00002 0.00001 261 27 H 1S 0.00008 0.00008 -0.00012 -0.00045 0.00020 262 2S -0.00002 0.00024 0.00007 -0.00050 0.00020 263 28 H 1S -0.00001 -0.00009 -0.00017 -0.00001 -0.00002 264 2S -0.00032 -0.00019 -0.00006 0.00013 -0.00004 106 107 108 109 110 106 8 C 1S 2.06016 107 2S -0.09734 0.30300 108 2PX 0.00091 0.00202 0.39109 109 2PY 0.00136 -0.00289 -0.00970 0.39983 110 2PZ -0.00095 0.00252 -0.05201 -0.02036 0.29609 111 3S -0.13710 0.20946 -0.01521 0.01081 0.00834 112 3PX 0.01807 -0.04374 0.21122 0.03261 -0.00488 113 3PY 0.00810 -0.02013 0.02413 0.16097 -0.00572 114 3PZ -0.00864 0.02291 -0.00555 -0.00138 0.20604 115 4XX -0.00800 0.00881 -0.00860 -0.01668 0.01437 116 4YY -0.00635 0.00652 0.00656 0.01708 -0.00455 117 4ZZ -0.00057 -0.00772 -0.00653 -0.00272 -0.00479 118 4XY -0.00045 0.00012 -0.01855 0.00966 0.00911 119 4XZ 0.00465 -0.01002 0.01189 0.00821 0.00045 120 4YZ 0.00204 -0.00441 0.00798 -0.00739 0.00022 121 9 H 1S -0.05873 0.11382 -0.21757 -0.08250 0.11176 122 2S -0.00573 0.01640 -0.13877 -0.05117 0.06955 123 10 H 1S 0.01136 -0.02593 -0.01968 0.03596 0.00124 124 2S 0.00938 -0.01873 -0.03366 0.05564 0.00296 125 11 H 1S -0.00651 0.01529 0.02169 -0.01619 -0.00623 126 2S -0.00690 0.01474 0.03761 -0.02215 -0.01149 127 12 H 1S -0.00095 0.00105 0.00188 0.00071 -0.00113 128 2S -0.00043 0.00126 -0.00219 -0.00073 0.00142 129 13 H 1S -0.00588 0.01351 0.00503 0.02415 -0.00695 130 2S -0.00602 0.01229 0.00970 0.04193 -0.01586 131 14 O 1S 0.00082 -0.00202 0.00044 -0.00430 -0.00059 132 2S -0.00224 0.00485 -0.00098 0.00875 0.00034 133 2PX -0.00589 0.01359 -0.00599 0.02225 -0.02388 134 2PY 0.00636 -0.01405 -0.00736 -0.03063 -0.02090 135 2PZ -0.00275 0.00458 -0.01580 0.00368 -0.03232 136 3S -0.00083 0.00408 -0.00147 0.02432 0.00588 137 3PX -0.00464 0.01122 -0.00695 0.02398 -0.02277 138 3PY 0.00464 -0.01066 -0.00617 -0.02953 -0.02061 139 3PZ -0.00164 0.00254 -0.01422 0.00120 -0.02877 140 4XX 0.00001 -0.00019 0.00013 -0.00094 -0.00022 141 4YY -0.00013 0.00015 0.00055 0.00009 0.00110 142 4ZZ -0.00024 0.00020 -0.00073 -0.00044 -0.00185 143 4XY -0.00006 -0.00002 0.00014 0.00007 0.00090 144 4XZ 0.00005 -0.00001 0.00010 0.00028 -0.00040 145 4YZ 0.00031 -0.00060 0.00063 -0.00067 0.00067 146 15 C 1S -0.00033 0.00091 -0.00158 -0.00028 -0.00019 147 2S 0.00036 -0.00147 0.00539 0.00180 0.00436 148 2PX 0.00211 -0.00589 0.01299 0.00330 0.00341 149 2PY -0.00166 0.00417 -0.00744 -0.00158 0.00257 150 2PZ -0.00100 0.00262 -0.00523 -0.00169 0.00050 151 3S 0.00378 -0.00428 0.00023 -0.00019 -0.01664 152 3PX 0.00341 -0.00745 0.01014 -0.00311 -0.00622 153 3PY -0.00302 0.00392 -0.00609 -0.00149 0.00368 154 3PZ 0.00056 0.00028 -0.00517 -0.00818 -0.00153 155 4XX -0.00020 0.00036 -0.00083 -0.00006 0.00003 156 4YY 0.00014 -0.00035 0.00074 0.00048 0.00026 157 4ZZ -0.00007 0.00002 0.00068 0.00040 0.00068 158 4XY 0.00011 -0.00015 0.00052 -0.00012 0.00003 159 4XZ 0.00018 -0.00028 0.00069 0.00019 0.00023 160 4YZ 0.00000 -0.00008 0.00022 -0.00003 0.00039 161 16 C 1S -0.00045 0.00111 -0.00275 -0.00097 0.00176 162 2S 0.00173 -0.00332 0.00756 0.00248 -0.00243 163 2PX 0.00367 -0.00802 0.01636 0.00461 -0.00296 164 2PY -0.00136 0.00287 -0.00737 -0.00255 -0.00060 165 2PZ -0.00054 0.00164 -0.00245 0.00028 -0.00378 166 3S -0.00190 0.00104 -0.00018 -0.00028 -0.00259 167 3PX -0.00016 -0.00222 0.01262 0.00607 -0.00064 168 3PY -0.00275 0.00368 -0.00427 -0.00029 0.00347 169 3PZ 0.00004 0.00156 -0.00132 0.00314 -0.00388 170 4XX -0.00003 0.00006 -0.00084 -0.00018 0.00072 171 4YY 0.00009 -0.00007 0.00019 0.00004 0.00005 172 4ZZ 0.00036 -0.00064 0.00151 0.00050 -0.00024 173 4XY 0.00004 -0.00018 0.00062 0.00020 0.00028 174 4XZ 0.00008 -0.00007 0.00018 0.00004 -0.00015 175 4YZ -0.00004 0.00023 -0.00069 -0.00019 0.00030 176 17 C 1S 0.00012 -0.00027 0.00051 0.00014 -0.00051 177 2S -0.00030 0.00061 -0.00109 -0.00035 0.00120 178 2PX 0.00052 -0.00080 0.00327 0.00116 -0.00031 179 2PY -0.00085 0.00157 -0.00361 -0.00114 0.00234 180 2PZ -0.00118 0.00216 -0.00529 -0.00190 0.00292 181 3S -0.00075 0.00124 0.00210 0.00321 0.00284 182 3PX 0.00080 -0.00135 0.00527 0.00289 -0.00073 183 3PY -0.00040 0.00092 -0.00096 0.00070 0.00036 184 3PZ -0.00175 0.00219 -0.00313 -0.00052 0.00366 185 4XX 0.00019 -0.00042 0.00102 0.00026 0.00006 186 4YY -0.00010 0.00018 -0.00036 -0.00013 0.00003 187 4ZZ -0.00014 0.00029 -0.00045 -0.00006 -0.00016 188 4XY -0.00004 0.00009 -0.00017 -0.00004 -0.00004 189 4XZ -0.00001 -0.00001 0.00021 0.00008 0.00000 190 4YZ -0.00016 0.00030 -0.00060 -0.00016 0.00002 191 18 C 1S -0.00004 0.00008 -0.00025 -0.00015 0.00025 192 2S 0.00010 -0.00016 0.00061 0.00041 -0.00047 193 2PX -0.00067 0.00193 -0.00432 -0.00051 -0.00187 194 2PY 0.00037 -0.00108 0.00258 0.00048 0.00071 195 2PZ 0.00084 -0.00213 0.00493 0.00105 0.00074 196 3S -0.00020 -0.00032 0.00000 -0.00170 0.00051 197 3PX -0.00104 0.00234 -0.00600 -0.00172 -0.00242 198 3PY 0.00065 -0.00145 0.00188 -0.00101 0.00069 199 3PZ 0.00077 -0.00218 0.00485 0.00109 -0.00026 200 4XX -0.00002 0.00004 -0.00002 -0.00001 0.00004 201 4YY 0.00008 -0.00015 0.00031 0.00007 -0.00017 202 4ZZ -0.00007 0.00013 -0.00040 -0.00013 0.00018 203 4XY -0.00006 0.00011 -0.00032 -0.00013 0.00013 204 4XZ 0.00003 -0.00006 0.00016 0.00005 -0.00003 205 4YZ 0.00001 -0.00002 0.00001 -0.00002 0.00005 206 19 C 1S -0.00006 0.00012 -0.00024 0.00005 -0.00023 207 2S 0.00007 -0.00021 0.00014 -0.00029 -0.00006 208 2PX -0.00094 0.00176 -0.00402 -0.00150 0.00240 209 2PY 0.00075 -0.00153 0.00312 0.00062 -0.00033 210 2PZ 0.00095 -0.00187 0.00394 0.00089 -0.00094 211 3S 0.00033 -0.00016 0.00430 0.00286 0.00836 212 3PX -0.00072 0.00180 -0.00347 -0.00090 0.00495 213 3PY 0.00084 -0.00178 0.00333 -0.00142 0.00276 214 3PZ 0.00069 -0.00116 0.00536 0.00327 0.00156 215 4XX 0.00004 -0.00014 0.00039 0.00007 0.00027 216 4YY -0.00006 0.00015 -0.00035 -0.00004 -0.00019 217 4ZZ -0.00002 0.00005 -0.00012 0.00000 -0.00008 218 4XY 0.00002 -0.00007 0.00020 0.00004 0.00014 219 4XZ -0.00002 0.00007 -0.00012 0.00000 0.00009 220 4YZ -0.00004 0.00012 -0.00033 -0.00007 -0.00007 221 20 C 1S 0.00014 -0.00031 0.00029 -0.00032 0.00022 222 2S -0.00014 0.00044 0.00008 0.00083 0.00054 223 2PX 0.00024 -0.00127 0.00442 0.00131 0.00232 224 2PY -0.00050 0.00154 -0.00376 0.00012 -0.00377 225 2PZ -0.00046 0.00179 -0.00410 -0.00036 -0.00198 226 3S -0.00024 0.00065 -0.00374 -0.00210 -0.00934 227 3PX -0.00008 -0.00029 0.00498 0.00141 0.00927 228 3PY -0.00108 0.00330 -0.00330 0.00615 -0.00152 229 3PZ 0.00084 -0.00066 -0.00132 -0.00405 0.00238 230 4XX 0.00016 -0.00035 0.00073 0.00006 0.00007 231 4YY 0.00002 -0.00007 0.00022 0.00008 0.00000 232 4ZZ -0.00008 0.00030 -0.00073 -0.00031 0.00009 233 4XY -0.00003 0.00013 -0.00036 -0.00009 -0.00017 234 4XZ 0.00003 -0.00013 0.00033 0.00005 0.00017 235 4YZ -0.00002 0.00003 -0.00015 -0.00005 0.00009 236 21 H 1S -0.00018 0.00035 -0.00050 0.00038 -0.00114 237 2S 0.00132 -0.00284 0.00233 -0.00607 0.00320 238 22 H 1S 0.00000 0.00002 -0.00002 0.00006 -0.00005 239 2S -0.00009 0.00034 0.00031 0.00120 0.00008 240 23 H 1S -0.00007 0.00014 -0.00043 -0.00028 0.00039 241 2S -0.00013 0.00020 -0.00096 -0.00072 0.00033 242 24 H 1S 0.00001 0.00000 -0.00034 -0.00019 -0.00027 243 2S 0.00027 -0.00031 0.00034 0.00029 -0.00125 244 25 H 1S 0.00189 -0.00339 0.00691 0.00256 -0.00350 245 2S 0.00000 -0.00134 0.00588 0.00021 -0.00067 246 26 O 1S -0.00136 0.00389 -0.00391 0.00109 0.00569 247 2S 0.00221 -0.00761 0.00623 -0.00127 -0.01284 248 2PX 0.00182 -0.00835 0.00159 -0.00368 -0.00962 249 2PY -0.00553 0.01466 -0.02075 -0.00189 0.01197 250 2PZ -0.00262 0.00514 -0.00794 -0.00159 0.00672 251 3S 0.00831 -0.01845 0.02383 -0.00714 -0.02975 252 3PX 0.00215 -0.00694 0.00360 -0.00278 -0.00415 253 3PY -0.00456 0.01168 -0.01948 -0.00257 0.01093 254 3PZ -0.00372 0.00594 -0.01029 0.00058 0.00686 255 4XX -0.00063 0.00102 -0.00077 0.00084 0.00101 256 4YY -0.00069 0.00086 -0.00205 0.00012 0.00011 257 4ZZ -0.00020 0.00001 -0.00073 0.00008 -0.00087 258 4XY 0.00034 -0.00095 0.00116 0.00001 -0.00108 259 4XZ 0.00024 -0.00046 0.00056 -0.00011 -0.00106 260 4YZ -0.00026 0.00042 -0.00073 0.00019 0.00068 261 27 H 1S -0.00151 0.00446 -0.00318 0.00112 0.00712 262 2S -0.00126 0.00386 -0.00430 0.00060 0.01044 263 28 H 1S -0.00020 -0.00032 0.00023 0.00171 -0.00156 264 2S 0.00058 -0.00282 -0.00211 -0.00368 -0.00360 111 112 113 114 115 111 3S 0.15738 112 3PX -0.03534 0.13389 113 3PY -0.00752 0.03341 0.07547 114 3PZ 0.01904 0.00980 0.00059 0.15177 115 4XX 0.00601 -0.00731 -0.00787 0.00974 0.00204 116 4YY 0.00527 0.00513 0.00724 -0.00226 -0.00114 117 4ZZ -0.00514 -0.00330 -0.00132 -0.00422 -0.00016 118 4XY 0.00128 -0.00929 0.00210 0.00558 0.00034 119 4XZ -0.00739 0.00923 0.00494 0.00053 -0.00086 120 4YZ -0.00285 0.00443 -0.00180 0.00002 -0.00013 121 9 H 1S 0.08688 -0.13740 -0.05510 0.06765 0.01579 122 2S 0.01511 -0.07737 -0.02851 0.03655 0.00871 123 10 H 1S -0.00727 0.01569 0.03663 -0.01352 -0.00588 124 2S -0.00594 0.00107 0.03325 -0.00706 -0.00530 125 11 H 1S 0.00027 0.00472 -0.01404 0.00089 -0.00175 126 2S 0.00523 0.01684 -0.01288 -0.00409 -0.00191 127 12 H 1S 0.01905 0.00830 0.00117 -0.00414 0.00075 128 2S 0.01355 0.00089 -0.00103 -0.00021 0.00146 129 13 H 1S 0.00445 -0.00857 0.01839 0.00032 -0.00115 130 2S 0.00606 0.00123 0.02261 -0.00728 -0.00222 131 14 O 1S -0.00274 -0.00318 0.00122 -0.00002 0.00002 132 2S 0.00643 0.00679 -0.00335 -0.00093 -0.00001 133 2PX 0.00791 -0.01136 0.00600 -0.01527 0.00010 134 2PY -0.05062 -0.00109 -0.03446 -0.02118 -0.00031 135 2PZ 0.01460 -0.00989 0.00553 -0.03017 -0.00095 136 3S -0.00172 0.01111 -0.00140 0.00423 -0.00075 137 3PX 0.00766 -0.01141 0.00710 -0.01416 -0.00010 138 3PY -0.03312 -0.00230 -0.02619 -0.02006 0.00000 139 3PZ 0.00626 -0.00820 0.00194 -0.02627 -0.00081 140 4XX -0.00105 -0.00011 -0.00082 -0.00023 0.00002 141 4YY 0.00263 0.00031 0.00132 0.00112 0.00006 142 4ZZ -0.00019 -0.00067 -0.00054 -0.00180 -0.00001 143 4XY 0.00039 0.00011 0.00023 0.00084 0.00000 144 4XZ 0.00000 0.00010 0.00005 -0.00042 -0.00003 145 4YZ -0.00207 0.00045 -0.00092 0.00071 0.00000 146 15 C 1S -0.00133 -0.00572 0.00785 -0.00017 -0.00028 147 2S 0.00323 0.00703 -0.00594 0.00362 0.00020 148 2PX -0.00538 0.00992 0.00599 -0.00413 0.00019 149 2PY 0.00705 -0.00928 -0.00686 0.00792 -0.00002 150 2PZ 0.01021 -0.00315 -0.01155 0.00668 0.00017 151 3S 0.00112 -0.00139 -0.00991 -0.01299 -0.00014 152 3PX -0.00779 0.00794 0.00399 -0.01072 -0.00020 153 3PY 0.00789 -0.00632 -0.00771 0.00741 0.00032 154 3PZ 0.00553 -0.00271 -0.01079 0.00328 0.00011 155 4XX 0.00087 -0.00084 -0.00068 0.00038 0.00006 156 4YY -0.00065 0.00125 0.00076 -0.00030 -0.00003 157 4ZZ 0.00001 0.00010 0.00017 0.00069 -0.00004 158 4XY 0.00044 -0.00013 -0.00051 0.00050 0.00000 159 4XZ -0.00016 0.00075 0.00019 -0.00010 0.00000 160 4YZ -0.00015 0.00028 0.00057 0.00004 0.00000 161 16 C 1S 0.00176 -0.00074 0.00465 -0.00085 0.00010 162 2S -0.00361 0.00574 -0.00297 -0.00065 -0.00028 163 2PX -0.01406 0.02138 0.00786 -0.01220 -0.00025 164 2PY 0.00839 -0.00523 -0.00809 0.00431 0.00030 165 2PZ 0.00301 -0.00826 -0.01178 0.00607 -0.00029 166 3S 0.00079 -0.00069 -0.00652 -0.00089 0.00008 167 3PX -0.00816 0.01592 0.01052 -0.00781 -0.00026 168 3PY 0.00739 -0.00429 -0.00270 0.00788 0.00019 169 3PZ 0.00309 -0.00728 -0.00735 0.00442 -0.00040 170 4XX 0.00014 -0.00084 0.00011 0.00051 0.00006 171 4YY 0.00029 0.00040 -0.00051 0.00031 -0.00001 172 4ZZ -0.00108 0.00118 0.00043 -0.00040 -0.00007 173 4XY -0.00003 0.00061 0.00041 -0.00008 0.00000 174 4XZ -0.00010 -0.00010 -0.00035 0.00021 -0.00003 175 4YZ 0.00047 -0.00046 0.00005 0.00024 0.00002 176 17 C 1S -0.00040 0.00052 -0.00030 -0.00035 -0.00002 177 2S 0.00125 -0.00077 0.00029 0.00070 0.00006 178 2PX -0.00210 0.00538 0.00276 -0.00284 -0.00011 179 2PY 0.00264 -0.00786 -0.00107 0.00482 0.00007 180 2PZ 0.00439 -0.00969 -0.00073 0.00544 0.00016 181 3S 0.00125 0.00179 0.00398 0.00244 -0.00011 182 3PX -0.00226 0.00736 0.00355 -0.00240 -0.00023 183 3PY 0.00121 -0.00498 -0.00002 0.00257 -0.00007 184 3PZ 0.00384 -0.00563 0.00079 0.00515 0.00015 185 4XX -0.00079 0.00109 0.00092 -0.00061 -0.00002 186 4YY 0.00033 -0.00029 -0.00010 0.00012 0.00002 187 4ZZ 0.00047 -0.00063 -0.00083 0.00044 -0.00001 188 4XY 0.00022 -0.00009 -0.00010 0.00005 0.00000 189 4XZ -0.00008 0.00001 0.00012 0.00004 -0.00001 190 4YZ 0.00051 -0.00082 -0.00042 0.00045 0.00001 191 18 C 1S 0.00022 -0.00019 0.00026 0.00014 0.00002 192 2S -0.00070 0.00031 -0.00072 -0.00017 -0.00003 193 2PX 0.00353 -0.00354 -0.00803 0.00269 -0.00001 194 2PY -0.00296 0.00157 0.00442 -0.00175 0.00001 195 2PZ -0.00422 0.00521 0.00551 -0.00311 -0.00005 196 3S -0.00059 0.00074 -0.00139 0.00040 0.00003 197 3PX 0.00421 -0.00476 -0.00767 0.00189 0.00009 198 3PY -0.00300 0.00191 0.00308 -0.00222 0.00004 199 3PZ -0.00387 0.00451 0.00552 -0.00336 -0.00008 200 4XX 0.00010 -0.00003 -0.00014 0.00012 0.00000 201 4YY -0.00035 0.00060 0.00034 -0.00048 0.00000 202 4ZZ 0.00029 -0.00066 -0.00020 0.00040 0.00001 203 4XY 0.00028 -0.00062 -0.00031 0.00043 0.00001 204 4XZ -0.00014 0.00036 0.00026 -0.00025 0.00000 205 4YZ -0.00003 0.00002 0.00022 -0.00007 0.00000 206 19 C 1S 0.00006 -0.00014 0.00029 -0.00029 -0.00001 207 2S -0.00009 -0.00004 -0.00065 0.00022 0.00002 208 2PX 0.00544 -0.00788 -0.00776 0.00783 0.00005 209 2PY -0.00237 0.00654 0.00486 -0.00430 0.00001 210 2PZ -0.00407 0.00755 0.00496 -0.00531 0.00003 211 3S 0.00031 0.00330 0.00157 0.00672 -0.00005 212 3PX 0.00492 -0.00692 -0.00642 0.00903 0.00004 213 3PY -0.00327 0.00636 0.00324 -0.00159 0.00003 214 3PZ -0.00279 0.00746 0.00581 -0.00280 -0.00001 215 4XX -0.00019 0.00003 0.00028 0.00014 -0.00001 216 4YY 0.00024 -0.00020 -0.00046 0.00006 0.00000 217 4ZZ -0.00005 0.00011 0.00020 -0.00020 0.00000 218 4XY -0.00013 0.00022 0.00020 -0.00004 0.00000 219 4XZ 0.00014 -0.00010 -0.00017 0.00019 0.00000 220 4YZ 0.00022 -0.00005 -0.00027 0.00002 0.00001 221 20 C 1S 0.00027 -0.00077 0.00106 0.00039 0.00000 222 2S -0.00070 0.00115 -0.00152 -0.00006 0.00001 223 2PX -0.00257 -0.00162 0.00154 0.00195 -0.00017 224 2PY 0.00143 0.00112 -0.00200 -0.00371 0.00009 225 2PZ 0.00041 -0.00005 -0.00103 -0.00167 0.00001 226 3S -0.00057 -0.00102 -0.00089 -0.00773 -0.00014 227 3PX -0.00095 0.00059 0.00231 0.00756 -0.00012 228 3PY 0.00344 -0.00021 0.00136 -0.00164 0.00006 229 3PZ -0.00192 0.00335 -0.00148 0.00075 0.00001 230 4XX -0.00052 0.00083 0.00065 -0.00048 0.00001 231 4YY -0.00020 0.00014 0.00003 -0.00009 0.00000 232 4ZZ 0.00057 -0.00073 -0.00087 0.00065 0.00000 233 4XY 0.00028 -0.00023 -0.00035 0.00008 0.00000 234 4XZ -0.00015 0.00024 0.00011 0.00002 0.00000 235 4YZ 0.00026 -0.00043 -0.00024 0.00038 0.00000 236 21 H 1S -0.00024 0.00090 -0.00103 -0.00153 0.00003 237 2S -0.00393 0.00382 -0.00324 0.00145 0.00007 238 22 H 1S -0.00009 -0.00018 0.00053 -0.00013 -0.00003 239 2S 0.00021 -0.00015 0.00108 0.00005 -0.00004 240 23 H 1S 0.00055 -0.00073 0.00023 0.00044 0.00002 241 2S 0.00078 -0.00107 0.00017 0.00032 0.00005 242 24 H 1S 0.00039 0.00116 0.00017 -0.00093 0.00005 243 2S -0.00022 0.00116 0.00022 -0.00143 -0.00001 244 25 H 1S -0.00621 0.00427 -0.00288 -0.00142 -0.00038 245 2S -0.00398 0.00420 -0.00022 0.00079 -0.00018 246 26 O 1S 0.00077 -0.00304 -0.00524 0.00241 0.00066 247 2S -0.00100 0.00575 0.00930 -0.00631 -0.00119 248 2PX 0.00052 0.01374 -0.00466 -0.00591 -0.00095 249 2PY 0.01435 -0.02816 -0.02240 0.00520 0.00178 250 2PZ 0.00318 -0.01200 -0.00357 0.01027 -0.00021 251 3S -0.00836 0.02093 0.01268 -0.01805 -0.00276 252 3PX -0.00025 0.01102 -0.00342 -0.00154 -0.00075 253 3PY 0.01235 -0.02344 -0.01909 0.00511 0.00155 254 3PZ 0.00458 -0.01067 -0.00376 0.00788 0.00023 255 4XX 0.00041 -0.00137 0.00065 0.00089 0.00005 256 4YY 0.00071 -0.00142 -0.00055 -0.00007 0.00008 257 4ZZ 0.00029 -0.00059 -0.00007 -0.00058 0.00002 258 4XY -0.00065 0.00154 0.00067 -0.00056 -0.00011 259 4XZ -0.00025 0.00094 -0.00004 -0.00123 0.00000 260 4YZ 0.00038 -0.00038 0.00009 0.00062 0.00002 261 27 H 1S 0.00177 -0.00948 0.00162 0.00760 0.00022 262 2S 0.00256 -0.00658 -0.00236 0.00930 0.00059 263 28 H 1S -0.00875 0.00265 0.01269 -0.00146 -0.00079 264 2S -0.01137 0.00429 0.00794 -0.00535 -0.00070 116 117 118 119 120 116 4YY 0.00152 117 4ZZ -0.00043 0.00049 118 4XY -0.00002 0.00013 0.00170 119 4XZ 0.00037 -0.00009 -0.00051 0.00116 120 4YZ -0.00006 -0.00004 -0.00040 -0.00004 0.00114 121 9 H 1S -0.00632 0.00000 0.01092 -0.01211 -0.00440 122 2S -0.00539 0.00145 0.00722 -0.00620 -0.00216 123 10 H 1S 0.00743 -0.00070 -0.00135 0.00334 -0.00108 124 2S 0.00586 -0.00021 0.00134 0.00260 -0.00189 125 11 H 1S 0.00061 -0.00029 -0.00047 0.00095 0.00008 126 2S 0.00110 -0.00057 -0.00178 0.00122 0.00050 127 12 H 1S -0.00042 0.00014 0.00055 -0.00055 -0.00019 128 2S -0.00118 0.00031 0.00126 -0.00102 -0.00030 129 13 H 1S 0.00032 -0.00047 -0.00170 0.00095 0.00061 130 2S 0.00164 -0.00052 -0.00129 0.00125 0.00000 131 14 O 1S -0.00003 0.00005 -0.00019 0.00004 -0.00011 132 2S 0.00008 -0.00010 0.00053 -0.00013 0.00019 133 2PX -0.00051 0.00087 0.00205 -0.00082 -0.00160 134 2PY -0.00081 0.00038 -0.00240 0.00034 -0.00074 135 2PZ -0.00100 0.00050 -0.00095 0.00030 -0.00176 136 3S 0.00125 -0.00042 0.00056 0.00014 0.00049 137 3PX -0.00041 0.00081 0.00202 -0.00061 -0.00185 138 3PY -0.00111 0.00049 -0.00217 0.00027 -0.00084 139 3PZ -0.00077 0.00048 -0.00127 0.00039 -0.00174 140 4XX -0.00003 0.00000 0.00000 -0.00002 0.00002 141 4YY 0.00000 0.00001 0.00003 0.00000 0.00005 142 4ZZ -0.00009 0.00003 0.00002 -0.00003 -0.00007 143 4XY 0.00003 -0.00003 0.00003 0.00000 0.00002 144 4XZ 0.00002 0.00000 -0.00001 0.00001 0.00004 145 4YZ 0.00005 -0.00001 -0.00008 0.00003 0.00002 146 15 C 1S 0.00018 0.00009 0.00031 -0.00007 -0.00023 147 2S 0.00007 -0.00034 -0.00038 0.00030 0.00052 148 2PX -0.00023 -0.00084 -0.00068 0.00097 0.00055 149 2PY 0.00026 0.00027 0.00011 -0.00046 0.00010 150 2PZ 0.00019 0.00030 -0.00012 -0.00040 0.00018 151 3S -0.00067 0.00025 -0.00042 0.00054 -0.00073 152 3PX -0.00049 -0.00038 -0.00104 0.00081 0.00028 153 3PY -0.00010 0.00023 0.00039 -0.00053 0.00006 154 3PZ -0.00005 0.00042 -0.00052 -0.00042 0.00014 155 4XX -0.00001 0.00004 0.00005 -0.00006 -0.00004 156 4YY 0.00002 -0.00004 -0.00002 0.00006 0.00003 157 4ZZ 0.00005 -0.00004 -0.00003 0.00004 0.00005 158 4XY -0.00001 0.00000 -0.00002 0.00002 0.00001 159 4XZ 0.00001 -0.00002 -0.00004 0.00003 0.00005 160 4YZ 0.00002 -0.00003 -0.00004 0.00003 0.00003 161 16 C 1S 0.00018 0.00011 0.00022 -0.00015 -0.00012 162 2S -0.00004 -0.00014 -0.00036 0.00041 0.00015 163 2PX -0.00010 -0.00063 -0.00072 0.00100 0.00044 164 2PY -0.00012 0.00040 0.00041 -0.00057 -0.00029 165 2PZ 0.00001 0.00032 0.00003 -0.00031 -0.00011 166 3S -0.00015 -0.00012 0.00005 -0.00005 0.00010 167 3PX 0.00018 -0.00054 -0.00040 0.00056 0.00045 168 3PY -0.00004 0.00030 0.00047 -0.00063 -0.00002 169 3PZ 0.00019 0.00025 0.00018 -0.00012 -0.00023 170 4XX -0.00004 0.00000 0.00005 -0.00003 -0.00001 171 4YY 0.00002 0.00002 -0.00001 0.00000 0.00001 172 4ZZ 0.00002 -0.00003 -0.00006 0.00009 0.00003 173 4XY 0.00001 -0.00004 -0.00003 0.00004 0.00003 174 4XZ 0.00001 0.00001 -0.00002 0.00000 0.00001 175 4YZ 0.00002 0.00002 0.00002 -0.00003 -0.00001 176 17 C 1S -0.00002 -0.00001 -0.00002 0.00002 0.00000 177 2S 0.00004 -0.00001 0.00002 -0.00003 0.00001 178 2PX 0.00019 -0.00010 -0.00022 0.00023 0.00015 179 2PY -0.00007 0.00003 0.00017 -0.00017 -0.00006 180 2PZ -0.00008 0.00008 0.00024 -0.00024 -0.00011 181 3S 0.00021 -0.00007 0.00011 -0.00005 0.00020 182 3PX 0.00023 -0.00005 -0.00020 0.00022 0.00017 183 3PY -0.00003 0.00000 0.00011 -0.00005 -0.00005 184 3PZ -0.00007 0.00003 0.00020 -0.00026 0.00001 185 4XX 0.00001 -0.00005 -0.00005 0.00007 0.00003 186 4YY 0.00000 0.00001 0.00002 -0.00002 -0.00002 187 4ZZ 0.00001 0.00003 0.00002 -0.00004 -0.00001 188 4XY 0.00000 0.00001 0.00001 -0.00001 -0.00001 189 4XZ 0.00000 -0.00001 -0.00001 0.00001 0.00001 190 4YZ 0.00000 0.00002 0.00002 -0.00004 -0.00002 191 18 C 1S 0.00000 0.00000 0.00001 -0.00001 0.00000 192 2S -0.00001 -0.00001 -0.00003 0.00002 0.00002 193 2PX 0.00001 0.00029 0.00017 -0.00036 -0.00010 194 2PY -0.00003 -0.00017 -0.00011 0.00021 0.00006 195 2PZ -0.00002 -0.00027 -0.00021 0.00033 0.00013 196 3S -0.00002 -0.00002 -0.00022 -0.00001 0.00012 197 3PX -0.00005 0.00034 0.00016 -0.00041 -0.00021 198 3PY -0.00005 -0.00018 -0.00020 0.00022 0.00008 199 3PZ -0.00005 -0.00021 -0.00024 0.00033 0.00006 200 4XX 0.00001 0.00000 0.00000 0.00000 0.00001 201 4YY 0.00001 -0.00001 -0.00002 0.00002 0.00000 202 4ZZ -0.00001 0.00001 0.00002 -0.00002 -0.00001 203 4XY -0.00001 0.00001 0.00001 -0.00002 0.00000 204 4XZ 0.00001 -0.00001 -0.00001 0.00001 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00001 0.00002 -0.00001 -0.00002 207 2S -0.00003 0.00000 -0.00006 0.00001 0.00001 208 2PX -0.00011 0.00011 0.00018 -0.00030 0.00004 209 2PY 0.00007 -0.00012 -0.00015 0.00022 0.00004 210 2PZ 0.00006 -0.00014 -0.00022 0.00026 0.00006 211 3S 0.00035 -0.00033 0.00017 0.00013 0.00055 212 3PX 0.00004 0.00002 0.00026 -0.00027 0.00020 213 3PY 0.00017 -0.00023 -0.00031 0.00022 0.00032 214 3PZ 0.00017 -0.00025 0.00002 0.00029 0.00016 215 4XX -0.00001 -0.00003 -0.00001 0.00003 0.00002 216 4YY 0.00000 0.00002 0.00001 -0.00003 -0.00001 217 4ZZ 0.00001 0.00001 0.00001 -0.00001 -0.00001 218 4XY 0.00000 -0.00001 0.00000 0.00001 0.00001 219 4XZ 0.00001 0.00001 0.00001 -0.00001 0.00000 220 4YZ 0.00000 0.00002 0.00001 -0.00002 -0.00001 221 20 C 1S 0.00004 0.00002 -0.00009 0.00003 0.00002 222 2S -0.00002 -0.00003 0.00015 -0.00004 0.00002 223 2PX -0.00014 -0.00033 -0.00009 0.00032 0.00017 224 2PY 0.00002 0.00025 0.00021 -0.00026 -0.00022 225 2PZ 0.00018 0.00029 0.00016 -0.00029 -0.00017 226 3S -0.00023 0.00032 -0.00042 -0.00015 -0.00049 227 3PX 0.00023 -0.00050 -0.00005 0.00025 0.00058 228 3PY 0.00015 0.00012 0.00068 -0.00018 -0.00037 229 3PZ 0.00028 0.00007 -0.00027 -0.00015 0.00034 230 4XX 0.00000 -0.00003 -0.00004 0.00005 0.00001 231 4YY -0.00002 -0.00001 0.00001 0.00001 0.00000 232 4ZZ 0.00001 0.00004 0.00002 -0.00005 0.00000 233 4XY 0.00000 0.00002 0.00002 -0.00003 -0.00002 234 4XZ 0.00000 -0.00002 -0.00002 0.00002 0.00002 235 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 236 21 H 1S -0.00007 0.00002 0.00013 -0.00006 -0.00006 237 2S -0.00001 -0.00009 -0.00037 0.00002 0.00052 238 22 H 1S 0.00001 0.00001 0.00002 0.00000 -0.00002 239 2S 0.00003 0.00000 0.00012 0.00000 -0.00004 240 23 H 1S 0.00000 0.00000 0.00001 -0.00001 -0.00001 241 2S -0.00002 0.00002 0.00000 -0.00002 -0.00003 242 24 H 1S -0.00001 0.00003 0.00003 -0.00003 -0.00004 243 2S -0.00001 0.00004 0.00003 0.00001 -0.00007 244 25 H 1S -0.00005 -0.00011 -0.00036 0.00034 0.00016 245 2S -0.00012 -0.00002 -0.00032 0.00005 0.00019 246 26 O 1S 0.00014 -0.00022 0.00050 0.00011 -0.00024 247 2S -0.00030 0.00065 -0.00109 -0.00028 0.00040 248 2PX -0.00051 0.00131 -0.00153 -0.00072 0.00103 249 2PY 0.00026 -0.00107 0.00217 0.00077 -0.00174 250 2PZ -0.00034 -0.00103 0.00173 0.00047 -0.00095 251 3S -0.00021 0.00119 -0.00319 0.00007 0.00144 252 3PX -0.00032 0.00082 -0.00110 -0.00037 0.00091 253 3PY 0.00011 -0.00084 0.00176 0.00045 -0.00130 254 3PZ -0.00030 -0.00071 0.00149 0.00017 -0.00088 255 4XX 0.00005 -0.00012 0.00016 0.00004 -0.00012 256 4YY -0.00003 0.00002 0.00011 -0.00005 -0.00011 257 4ZZ -0.00004 0.00005 0.00003 -0.00006 -0.00005 258 4XY -0.00002 0.00008 -0.00012 -0.00005 0.00010 259 4XZ 0.00002 0.00009 -0.00018 -0.00002 0.00006 260 4YZ -0.00002 -0.00004 0.00006 -0.00001 -0.00003 261 27 H 1S 0.00003 -0.00085 0.00127 0.00036 -0.00064 262 2S -0.00004 -0.00047 0.00119 -0.00005 -0.00026 263 28 H 1S 0.00020 0.00010 -0.00005 0.00010 -0.00007 264 2S 0.00003 0.00009 -0.00102 0.00024 0.00001 121 122 123 124 125 121 9 H 1S 0.20695 122 2S 0.11243 0.07646 123 10 H 1S -0.01665 -0.00523 0.20748 124 2S -0.00747 -0.00324 0.12995 0.09146 125 11 H 1S -0.00782 -0.01489 -0.01610 -0.00789 0.20791 126 2S -0.01638 -0.01801 -0.00779 -0.00473 0.12861 127 12 H 1S 0.00266 0.00764 -0.00789 -0.01619 -0.01600 128 2S 0.00708 0.00975 -0.01624 -0.02028 -0.00769 129 13 H 1S -0.00872 -0.01702 0.00225 0.00615 -0.00788 130 2S -0.01626 -0.01783 0.00822 0.01085 -0.01452 131 14 O 1S -0.00047 -0.00042 -0.00059 -0.00063 -0.00017 132 2S 0.00129 0.00109 0.00129 0.00136 0.00042 133 2PX 0.00294 0.00105 0.00439 0.00956 0.00127 134 2PY -0.00429 -0.00128 -0.00366 -0.00597 0.00020 135 2PZ -0.00072 0.00009 0.00127 0.00103 -0.00057 136 3S -0.00179 -0.00152 0.00339 0.00281 0.00064 137 3PX 0.00185 -0.00021 0.00510 0.00957 0.00107 138 3PY -0.00271 -0.00031 -0.00385 -0.00561 0.00033 139 3PZ -0.00116 -0.00003 0.00082 0.00024 -0.00061 140 4XX 0.00002 0.00002 -0.00010 -0.00008 -0.00008 141 4YY 0.00018 0.00016 0.00000 -0.00001 0.00006 142 4ZZ 0.00014 0.00019 0.00004 0.00010 -0.00002 143 4XY 0.00011 -0.00002 0.00003 -0.00009 -0.00011 144 4XZ -0.00022 -0.00015 0.00002 0.00007 0.00011 145 4YZ -0.00036 -0.00029 -0.00013 -0.00020 0.00004 146 15 C 1S 0.00074 0.00323 -0.00017 0.00024 -0.00029 147 2S -0.00263 -0.00598 0.00015 -0.00052 0.00047 148 2PX -0.00577 0.00345 0.00052 -0.00098 0.00071 149 2PY 0.00326 -0.00900 -0.00071 -0.00009 -0.00042 150 2PZ 0.00105 -0.01418 -0.00042 -0.00046 -0.00010 151 3S -0.00660 -0.01044 0.00175 0.00148 0.00043 152 3PX -0.00735 0.00406 -0.00036 -0.00220 0.00087 153 3PY 0.00436 -0.00677 -0.00119 -0.00019 0.00044 154 3PZ 0.00102 -0.00858 -0.00135 -0.00221 -0.00043 155 4XX 0.00049 -0.00064 -0.00002 0.00005 -0.00006 156 4YY -0.00037 0.00110 0.00008 -0.00005 0.00003 157 4ZZ -0.00036 -0.00085 0.00002 0.00006 0.00006 158 4XY -0.00044 -0.00134 0.00002 0.00001 0.00005 159 4XZ -0.00036 0.00020 0.00002 -0.00007 0.00005 160 4YZ -0.00012 0.00047 -0.00006 -0.00018 0.00002 161 16 C 1S 0.00122 0.00503 -0.00030 -0.00072 -0.00022 162 2S -0.00459 -0.00466 0.00084 0.00080 0.00046 163 2PX -0.00701 0.01603 0.00109 -0.00037 0.00097 164 2PY 0.00306 -0.00921 -0.00018 0.00046 -0.00032 165 2PZ 0.00080 -0.01785 0.00025 0.00222 -0.00010 166 3S 0.00092 -0.00386 -0.00036 0.00023 0.00069 167 3PX -0.00406 0.01512 -0.00017 -0.00078 0.00106 168 3PY 0.00357 -0.00556 -0.00084 0.00015 0.00004 169 3PZ -0.00118 -0.01585 0.00096 0.00270 -0.00027 170 4XX 0.00067 0.00015 -0.00003 0.00000 -0.00010 171 4YY -0.00025 -0.00057 0.00003 0.00001 0.00003 172 4ZZ -0.00085 0.00023 0.00015 0.00011 0.00008 173 4XY -0.00036 0.00017 0.00003 -0.00007 0.00005 174 4XZ -0.00014 -0.00058 0.00003 0.00008 0.00001 175 4YZ 0.00028 0.00014 -0.00003 -0.00007 -0.00005 176 17 C 1S -0.00014 -0.00027 0.00007 0.00013 0.00004 177 2S 0.00038 0.00036 -0.00011 -0.00028 -0.00006 178 2PX -0.00223 0.00656 0.00009 -0.00082 0.00024 179 2PY 0.00199 -0.00605 -0.00031 0.00026 -0.00030 180 2PZ 0.00240 -0.00715 -0.00046 -0.00007 -0.00040 181 3S -0.00035 0.00141 -0.00036 -0.00008 0.00000 182 3PX -0.00318 0.00557 0.00033 -0.00026 0.00036 183 3PY 0.00042 -0.00507 -0.00016 0.00052 -0.00019 184 3PZ 0.00249 -0.00377 -0.00070 -0.00024 -0.00014 185 4XX -0.00049 0.00108 0.00004 -0.00009 0.00006 186 4YY 0.00017 -0.00018 -0.00002 -0.00001 -0.00002 187 4ZZ 0.00020 -0.00098 -0.00001 0.00010 -0.00002 188 4XY 0.00002 -0.00007 -0.00001 -0.00002 -0.00001 189 4XZ -0.00010 -0.00009 -0.00001 0.00000 0.00002 190 4YZ 0.00028 -0.00070 -0.00004 0.00002 -0.00004 191 18 C 1S 0.00010 0.00023 -0.00004 -0.00009 -0.00003 192 2S -0.00024 -0.00061 0.00009 0.00024 0.00005 193 2PX 0.00181 -0.00612 -0.00001 0.00082 -0.00026 194 2PY -0.00104 0.00324 0.00005 -0.00037 0.00018 195 2PZ -0.00176 0.00554 0.00016 -0.00031 0.00032 196 3S 0.00027 -0.00004 -0.00034 -0.00065 0.00010 197 3PX 0.00266 -0.00523 -0.00018 0.00047 -0.00029 198 3PY -0.00081 0.00345 -0.00002 -0.00066 0.00010 199 3PZ -0.00224 0.00475 0.00025 -0.00026 0.00043 200 4XX -0.00001 -0.00013 -0.00001 -0.00001 0.00000 201 4YY -0.00015 0.00071 0.00002 -0.00005 0.00002 202 4ZZ 0.00023 -0.00056 -0.00002 0.00004 -0.00003 203 4XY 0.00014 -0.00070 -0.00002 0.00003 -0.00003 204 4XZ -0.00008 0.00051 0.00001 -0.00004 0.00001 205 4YZ 0.00000 0.00022 -0.00001 -0.00004 0.00000 206 19 C 1S 0.00013 0.00038 0.00001 0.00004 -0.00001 207 2S -0.00015 -0.00076 -0.00003 -0.00010 0.00001 208 2PX 0.00178 -0.01293 -0.00032 0.00071 -0.00030 209 2PY -0.00138 0.00819 0.00012 -0.00078 0.00019 210 2PZ -0.00173 0.00912 0.00020 -0.00080 0.00026 211 3S -0.00089 -0.00127 0.00006 0.00002 -0.00015 212 3PX 0.00194 -0.01138 -0.00030 0.00057 -0.00045 213 3PY -0.00098 0.00706 -0.00041 -0.00157 0.00004 214 3PZ -0.00203 0.00760 0.00049 -0.00014 0.00028 215 4XX -0.00018 -0.00019 0.00001 0.00001 0.00002 216 4YY 0.00014 -0.00025 0.00000 0.00004 -0.00002 217 4ZZ 0.00011 0.00050 0.00000 -0.00002 -0.00001 218 4XY -0.00007 0.00016 0.00000 -0.00003 0.00001 219 4XZ 0.00007 -0.00013 0.00000 0.00002 -0.00001 220 4YZ 0.00016 0.00003 -0.00001 -0.00001 -0.00002 221 20 C 1S -0.00027 -0.00042 -0.00008 -0.00032 -0.00002 222 2S 0.00038 0.00046 0.00017 0.00062 0.00005 223 2PX -0.00198 -0.00443 0.00020 0.00078 0.00030 224 2PY 0.00153 0.00300 0.00015 0.00019 -0.00011 225 2PZ 0.00236 0.00541 -0.00011 -0.00003 -0.00028 226 3S 0.00053 0.00231 -0.00002 -0.00021 -0.00016 227 3PX -0.00098 -0.00398 -0.00014 -0.00003 -0.00006 228 3PY 0.00183 0.00261 0.00136 0.00208 -0.00030 229 3PZ 0.00125 0.00514 -0.00098 -0.00190 -0.00053 230 4XX -0.00032 0.00086 0.00002 -0.00010 0.00004 231 4YY -0.00008 -0.00003 0.00003 0.00007 0.00002 232 4ZZ 0.00032 -0.00088 -0.00006 0.00001 -0.00005 233 4XY 0.00013 -0.00029 0.00000 0.00003 -0.00002 234 4XZ -0.00014 0.00007 0.00000 -0.00004 0.00001 235 4YZ 0.00001 -0.00067 -0.00001 0.00001 -0.00001 236 21 H 1S 0.00027 0.00041 0.00017 0.00043 0.00005 237 2S -0.00078 0.00052 -0.00135 -0.00203 0.00014 238 22 H 1S 0.00005 0.00054 0.00000 0.00004 -0.00001 239 2S 0.00000 0.00052 0.00021 0.00043 0.00001 240 23 H 1S 0.00009 -0.00029 -0.00006 -0.00013 -0.00004 241 2S 0.00033 -0.00006 -0.00010 -0.00025 -0.00006 242 24 H 1S 0.00007 0.00118 0.00001 -0.00014 0.00000 243 2S -0.00052 0.00060 0.00016 0.00012 0.00001 244 25 H 1S -0.00323 -0.00344 0.00076 0.00129 0.00034 245 2S -0.00110 0.00051 -0.00042 -0.00003 0.00061 246 26 O 1S 0.00409 -0.00142 -0.00013 0.00072 -0.00031 247 2S -0.00745 0.00285 0.00053 -0.00118 0.00056 248 2PX -0.00568 0.00483 -0.00001 -0.00443 0.00069 249 2PY 0.00978 -0.01966 -0.00117 0.00197 -0.00154 250 2PZ 0.00371 -0.00157 -0.00063 0.00111 -0.00061 251 3S -0.02374 0.00031 0.00002 -0.00459 0.00213 252 3PX -0.00554 0.00176 -0.00002 -0.00326 0.00065 253 3PY 0.01014 -0.01468 -0.00111 0.00133 -0.00150 254 3PZ 0.00646 0.00045 -0.00029 0.00117 -0.00072 255 4XX 0.00083 -0.00011 0.00008 0.00044 -0.00010 256 4YY 0.00121 0.00040 -0.00003 0.00008 -0.00013 257 4ZZ 0.00032 0.00011 0.00008 0.00013 -0.00005 258 4XY -0.00078 0.00065 0.00009 -0.00012 0.00011 259 4XZ -0.00052 -0.00011 0.00001 -0.00019 0.00008 260 4YZ 0.00063 0.00044 -0.00003 0.00002 -0.00008 261 27 H 1S 0.00351 -0.00215 -0.00013 0.00212 -0.00056 262 2S 0.00573 -0.00130 -0.00011 0.00148 -0.00083 263 28 H 1S -0.00115 0.01289 0.00002 -0.00071 0.00005 264 2S -0.00084 0.01265 -0.00104 -0.00254 0.00017 126 127 128 129 130 126 2S 0.08983 127 12 H 1S -0.00784 0.20736 128 2S -0.00467 0.12923 0.09064 129 13 H 1S -0.01566 -0.01620 -0.00775 0.20438 130 2S -0.01761 -0.00616 -0.00386 0.11083 0.07351 131 14 O 1S -0.00032 0.00017 0.00108 0.00220 -0.00536 132 2S 0.00079 0.00015 -0.00191 -0.00573 0.01095 133 2PX 0.00064 0.00072 -0.00198 -0.01168 0.03677 134 2PY 0.00144 -0.00074 -0.00679 -0.00260 0.01548 135 2PZ -0.00025 -0.00188 -0.00098 0.00591 -0.01759 136 3S 0.00119 -0.00307 -0.00642 -0.00515 0.01832 137 3PX 0.00033 0.00118 -0.00006 -0.00956 0.02829 138 3PY 0.00138 -0.00049 -0.00452 -0.00290 0.00722 139 3PZ -0.00021 -0.00226 -0.00238 0.00547 -0.01098 140 4XX -0.00009 0.00014 0.00008 0.00041 0.00071 141 4YY 0.00004 0.00019 0.00046 -0.00059 -0.00154 142 4ZZ -0.00001 0.00020 0.00012 -0.00026 -0.00010 143 4XY -0.00015 0.00014 0.00044 0.00070 -0.00135 144 4XZ 0.00015 -0.00012 -0.00030 -0.00068 0.00050 145 4YZ 0.00006 -0.00008 -0.00026 -0.00009 0.00095 146 15 C 1S -0.00093 -0.00004 0.00027 0.00007 0.00033 147 2S 0.00115 -0.00017 -0.00042 -0.00011 -0.00170 148 2PX 0.00181 -0.00003 -0.00120 -0.00051 -0.00234 149 2PY -0.00131 -0.00018 0.00050 -0.00080 -0.00453 150 2PZ -0.00025 -0.00014 0.00045 -0.00033 -0.00279 151 3S 0.00108 0.00088 0.00082 -0.00297 -0.00156 152 3PX 0.00212 -0.00001 -0.00146 -0.00142 -0.00396 153 3PY -0.00020 0.00072 0.00142 -0.00238 -0.00136 154 3PZ -0.00042 -0.00024 0.00029 0.00056 -0.00505 155 4XX -0.00016 0.00013 0.00032 0.00008 0.00005 156 4YY 0.00013 -0.00007 -0.00021 0.00003 0.00014 157 4ZZ 0.00005 -0.00014 -0.00018 -0.00002 -0.00032 158 4XY 0.00004 0.00009 0.00014 0.00002 -0.00003 159 4XZ 0.00009 0.00000 -0.00003 -0.00006 -0.00028 160 4YZ 0.00005 -0.00010 -0.00021 -0.00006 -0.00032 161 16 C 1S -0.00045 0.00001 0.00011 -0.00018 -0.00024 162 2S 0.00097 -0.00001 -0.00031 0.00048 0.00113 163 2PX 0.00278 -0.00046 -0.00206 0.00043 0.00196 164 2PY -0.00062 0.00060 0.00147 0.00027 0.00226 165 2PZ -0.00073 0.00015 0.00116 0.00032 -0.00055 166 3S 0.00080 0.00033 0.00029 -0.00055 0.00108 167 3PX 0.00219 -0.00059 -0.00191 0.00081 0.00248 168 3PY -0.00047 0.00078 0.00143 -0.00034 0.00225 169 3PZ -0.00098 0.00014 0.00112 0.00097 0.00075 170 4XX -0.00015 0.00004 0.00005 -0.00011 -0.00014 171 4YY 0.00004 0.00000 0.00003 0.00001 0.00006 172 4ZZ 0.00015 -0.00003 -0.00010 0.00005 0.00011 173 4XY 0.00010 -0.00002 -0.00008 0.00000 0.00000 174 4XZ -0.00001 0.00000 0.00003 -0.00001 -0.00009 175 4YZ -0.00010 -0.00001 0.00002 -0.00006 -0.00018 176 17 C 1S 0.00010 0.00001 0.00000 0.00008 0.00028 177 2S -0.00014 -0.00005 -0.00005 -0.00017 -0.00053 178 2PX 0.00045 -0.00020 -0.00051 0.00016 -0.00060 179 2PY -0.00083 0.00006 0.00029 -0.00043 -0.00124 180 2PZ -0.00102 0.00010 0.00034 -0.00050 -0.00123 181 3S -0.00010 -0.00013 -0.00014 0.00068 0.00045 182 3PX 0.00065 -0.00008 -0.00032 0.00028 0.00049 183 3PY -0.00054 0.00003 0.00021 0.00014 -0.00057 184 3PZ -0.00049 0.00014 0.00018 -0.00057 -0.00025 185 4XX 0.00015 -0.00005 -0.00017 0.00001 0.00001 186 4YY -0.00003 0.00002 0.00004 0.00001 0.00010 187 4ZZ -0.00008 0.00002 0.00010 0.00003 -0.00003 188 4XY -0.00002 0.00002 0.00003 0.00001 0.00004 189 4XZ 0.00002 -0.00002 -0.00003 0.00001 -0.00006 190 4YZ -0.00010 0.00003 0.00009 -0.00001 -0.00006 191 18 C 1S -0.00005 0.00001 0.00003 0.00001 -0.00005 192 2S 0.00009 -0.00003 -0.00004 0.00002 0.00011 193 2PX -0.00065 0.00031 0.00101 0.00012 0.00014 194 2PY 0.00043 -0.00021 -0.00077 -0.00017 0.00013 195 2PZ 0.00082 -0.00031 -0.00090 0.00002 0.00011 196 3S 0.00026 -0.00025 -0.00051 -0.00021 -0.00079 197 3PX -0.00070 0.00041 0.00109 -0.00013 0.00005 198 3PY 0.00042 -0.00038 -0.00091 -0.00010 -0.00056 199 3PZ 0.00089 -0.00022 -0.00089 -0.00049 0.00033 200 4XX -0.00001 -0.00001 0.00000 0.00001 -0.00004 201 4YY 0.00007 -0.00001 -0.00005 0.00003 0.00006 202 4ZZ -0.00007 0.00001 0.00004 -0.00004 -0.00005 203 4XY -0.00006 0.00001 0.00004 -0.00002 -0.00008 204 4XZ 0.00003 0.00000 -0.00002 0.00001 0.00001 205 4YZ 0.00000 0.00000 -0.00001 0.00000 -0.00002 206 19 C 1S -0.00003 -0.00001 -0.00001 -0.00004 0.00024 207 2S 0.00005 0.00003 0.00001 0.00001 -0.00045 208 2PX -0.00085 0.00011 0.00070 -0.00023 -0.00136 209 2PY 0.00063 -0.00001 -0.00030 0.00030 0.00011 210 2PZ 0.00084 -0.00004 -0.00050 0.00034 0.00038 211 3S -0.00017 -0.00032 -0.00013 0.00149 -0.00125 212 3PX -0.00100 -0.00010 0.00049 0.00026 -0.00170 213 3PY 0.00049 -0.00048 -0.00088 0.00101 -0.00145 214 3PZ 0.00069 0.00002 -0.00023 0.00059 0.00076 215 4XX 0.00004 -0.00004 -0.00009 -0.00003 -0.00005 216 4YY -0.00004 0.00003 0.00007 0.00001 0.00006 217 4ZZ -0.00001 0.00001 0.00003 0.00002 0.00003 218 4XY 0.00003 -0.00001 -0.00004 0.00001 0.00000 219 4XZ -0.00003 0.00001 0.00005 0.00002 -0.00003 220 4YZ -0.00004 0.00002 0.00006 0.00002 0.00001 221 20 C 1S -0.00007 0.00002 0.00003 0.00003 -0.00068 222 2S 0.00010 0.00002 0.00002 -0.00016 0.00126 223 2PX 0.00035 -0.00044 -0.00100 -0.00055 0.00013 224 2PY -0.00002 0.00025 0.00035 -0.00014 0.00239 225 2PZ -0.00054 0.00024 0.00075 0.00028 0.00012 226 3S 0.00011 -0.00032 -0.00056 -0.00010 -0.00067 227 3PX -0.00005 -0.00104 -0.00136 0.00124 -0.00191 228 3PY -0.00051 0.00047 0.00096 0.00006 0.00336 229 3PZ -0.00042 -0.00046 -0.00027 0.00182 -0.00269 230 4XX 0.00010 0.00000 -0.00005 0.00004 -0.00002 231 4YY 0.00004 0.00001 -0.00003 -0.00004 0.00030 232 4ZZ -0.00011 0.00000 0.00007 -0.00002 -0.00013 233 4XY -0.00004 0.00003 0.00007 -0.00001 0.00003 234 4XZ 0.00004 -0.00001 -0.00005 0.00001 -0.00013 235 4YZ -0.00004 -0.00001 0.00001 -0.00003 -0.00021 236 21 H 1S 0.00019 0.00006 -0.00006 -0.00017 0.00188 237 2S 0.00050 -0.00041 -0.00083 0.00048 -0.00049 238 22 H 1S -0.00006 0.00000 0.00004 0.00001 -0.00002 239 2S -0.00009 0.00010 0.00023 -0.00002 0.00038 240 23 H 1S -0.00011 0.00002 0.00006 -0.00004 -0.00026 241 2S -0.00013 0.00006 0.00009 -0.00017 -0.00044 242 24 H 1S 0.00010 0.00005 0.00003 0.00007 0.00059 243 2S 0.00011 0.00012 0.00013 0.00021 0.00083 244 25 H 1S 0.00071 -0.00010 -0.00029 0.00028 0.00025 245 2S 0.00086 0.00002 -0.00020 -0.00003 0.00057 246 26 O 1S -0.00064 0.00002 0.00016 -0.00024 0.00069 247 2S 0.00124 0.00007 -0.00023 0.00033 -0.00099 248 2PX 0.00287 -0.00037 -0.00299 -0.00001 -0.00177 249 2PY -0.00387 0.00042 0.00317 0.00034 -0.00823 250 2PZ -0.00164 -0.00015 -0.00040 -0.00078 0.00435 251 3S 0.00436 -0.00089 -0.00235 0.00232 -0.00602 252 3PX 0.00227 -0.00047 -0.00247 -0.00041 -0.00192 253 3PY -0.00339 0.00027 0.00261 0.00063 -0.00735 254 3PZ -0.00156 0.00012 -0.00003 -0.00100 0.00410 255 4XX -0.00029 -0.00002 0.00011 -0.00008 0.00034 256 4YY -0.00020 0.00003 0.00003 -0.00011 0.00001 257 4ZZ -0.00008 0.00012 0.00022 -0.00005 0.00041 258 4XY 0.00025 0.00004 -0.00009 -0.00003 0.00048 259 4XZ 0.00019 -0.00005 -0.00010 0.00004 -0.00065 260 4YZ -0.00009 -0.00003 -0.00007 -0.00001 0.00003 261 27 H 1S -0.00180 0.00022 0.00129 -0.00017 0.00264 262 2S -0.00172 0.00077 0.00173 -0.00021 0.00278 263 28 H 1S 0.00035 -0.00139 -0.00405 -0.00116 0.00135 264 2S 0.00108 -0.00354 -0.00662 -0.00060 -0.00020 131 132 133 134 135 131 14 O 1S 2.08214 132 2S -0.18687 0.50669 133 2PX 0.00029 0.00278 0.73310 134 2PY -0.03764 0.08715 -0.06668 0.58417 135 2PZ 0.02215 -0.04731 -0.11784 0.01721 0.60807 136 3S -0.24635 0.56683 -0.01617 0.20040 -0.13775 137 3PX 0.00077 0.00076 0.54373 -0.05147 -0.08587 138 3PY -0.02505 0.06163 -0.04444 0.36964 0.05492 139 3PZ 0.01468 -0.03295 -0.08738 0.04950 0.42601 140 4XX -0.00841 0.00123 0.00024 0.01065 -0.00528 141 4YY -0.00795 0.00015 -0.00024 -0.03898 -0.01139 142 4ZZ -0.00793 0.00008 0.00305 0.01352 0.02842 143 4XY 0.00002 -0.00057 -0.03313 -0.00177 -0.00106 144 4XZ 0.00011 -0.00073 0.01869 -0.00130 0.00129 145 4YZ -0.00004 -0.00053 -0.00099 0.01239 -0.02977 146 15 C 1S 0.00029 -0.00232 -0.00360 -0.00345 -0.00962 147 2S -0.00098 0.00447 0.00214 0.00474 0.01708 148 2PX -0.00025 0.00596 0.01619 0.01123 0.03353 149 2PY -0.00133 0.00270 0.00281 0.00677 0.02057 150 2PZ -0.00139 0.00226 -0.00638 -0.00154 0.01204 151 3S 0.00298 -0.00250 0.06678 0.00719 0.06167 152 3PX -0.00833 0.02087 -0.01248 0.02282 0.04546 153 3PY -0.00444 0.00893 0.03249 0.00364 0.00254 154 3PZ -0.00855 0.01643 -0.06260 0.01514 0.02063 155 4XX 0.00002 -0.00008 0.00036 -0.00034 -0.00222 156 4YY 0.00026 -0.00049 -0.00040 -0.00043 -0.00020 157 4ZZ 0.00006 0.00015 -0.00110 -0.00044 0.00234 158 4XY 0.00006 0.00001 0.00045 0.00015 -0.00029 159 4XZ -0.00025 0.00067 0.00065 0.00014 0.00246 160 4YZ -0.00024 0.00060 -0.00095 0.00079 0.00142 161 16 C 1S -0.00017 0.00038 0.00065 0.00130 0.00298 162 2S 0.00089 -0.00182 -0.00058 -0.00233 -0.00604 163 2PX 0.00032 0.00041 -0.00291 -0.00110 0.00172 164 2PY 0.00087 -0.00268 -0.00063 -0.00534 -0.01698 165 2PZ -0.00006 0.00001 -0.00031 0.00033 -0.00391 166 3S -0.00445 0.00960 0.00801 0.00265 -0.02036 167 3PX 0.00272 -0.00534 0.00935 -0.01284 -0.00320 168 3PY -0.00022 -0.00086 0.01431 -0.00912 -0.01961 169 3PZ 0.00378 -0.00807 0.00828 -0.00819 -0.00304 170 4XX 0.00009 0.00000 0.00095 0.00055 0.00072 171 4YY -0.00006 -0.00003 -0.00035 -0.00034 -0.00085 172 4ZZ 0.00000 -0.00002 -0.00014 0.00015 -0.00047 173 4XY -0.00002 0.00021 0.00050 0.00020 0.00090 174 4XZ -0.00007 0.00005 -0.00021 0.00004 -0.00001 175 4YZ 0.00005 -0.00019 0.00010 0.00020 0.00097 176 17 C 1S 0.00005 -0.00016 -0.00043 -0.00042 -0.00185 177 2S -0.00022 0.00070 0.00107 0.00181 0.00348 178 2PX -0.00073 -0.00013 -0.00244 -0.00100 0.00167 179 2PY 0.00021 0.00057 0.00394 0.00306 0.00595 180 2PZ 0.00023 0.00065 0.00338 0.00294 0.00607 181 3S 0.00343 -0.00729 0.00507 -0.01174 0.00531 182 3PX 0.00068 -0.00308 0.00391 -0.00725 0.00030 183 3PY 0.00177 -0.00278 0.00402 -0.00318 0.00705 184 3PZ 0.00045 0.00000 0.00994 -0.00144 0.00232 185 4XX 0.00001 0.00007 -0.00014 0.00011 0.00078 186 4YY 0.00006 -0.00011 0.00004 -0.00017 -0.00068 187 4ZZ -0.00002 -0.00005 0.00001 -0.00001 -0.00040 188 4XY 0.00002 -0.00014 0.00003 -0.00030 -0.00044 189 4XZ -0.00001 0.00006 -0.00005 -0.00001 0.00050 190 4YZ 0.00000 -0.00005 0.00017 -0.00007 -0.00027 191 18 C 1S -0.00010 0.00014 -0.00086 -0.00016 -0.00064 192 2S 0.00041 -0.00059 0.00188 -0.00002 0.00089 193 2PX -0.00006 -0.00145 0.00089 -0.00154 -0.00615 194 2PY 0.00073 -0.00026 0.00312 0.00125 0.00519 195 2PZ 0.00013 0.00142 -0.00109 0.00168 0.00566 196 3S -0.00325 0.00694 -0.01055 0.01087 0.00335 197 3PX -0.00128 0.00118 0.00118 0.00168 -0.00671 198 3PY -0.00107 0.00340 -0.00828 0.00804 0.00767 199 3PZ 0.00037 0.00063 0.00886 0.00146 0.00679 200 4XX -0.00003 0.00000 -0.00025 0.00000 -0.00012 201 4YY -0.00002 0.00000 -0.00034 -0.00006 -0.00018 202 4ZZ 0.00004 0.00002 0.00041 0.00022 0.00022 203 4XY -0.00002 0.00009 -0.00010 0.00020 0.00017 204 4XZ -0.00004 0.00004 -0.00004 -0.00008 -0.00005 205 4YZ -0.00001 0.00002 -0.00014 -0.00001 0.00000 206 19 C 1S 0.00026 -0.00067 0.00192 0.00020 -0.00013 207 2S -0.00047 0.00112 -0.00231 0.00043 0.00083 208 2PX -0.00060 0.00137 -0.00262 0.00185 0.00256 209 2PY -0.00102 0.00188 -0.00529 -0.00145 -0.00111 210 2PZ -0.00067 0.00116 -0.00436 -0.00174 -0.00102 211 3S 0.00040 -0.00056 -0.02894 -0.01288 -0.00951 212 3PX -0.00038 0.00098 -0.01390 0.00074 0.00266 213 3PY -0.00440 0.00904 -0.03778 0.00824 -0.00283 214 3PZ 0.00132 -0.00272 0.00112 -0.01223 -0.00486 215 4XX 0.00006 0.00006 0.00010 0.00036 0.00094 216 4YY 0.00001 -0.00014 0.00035 -0.00013 -0.00057 217 4ZZ -0.00004 0.00003 -0.00027 -0.00030 -0.00073 218 4XY -0.00004 0.00015 -0.00022 0.00005 0.00022 219 4XZ -0.00009 0.00011 -0.00056 -0.00025 -0.00054 220 4YZ -0.00011 0.00009 -0.00042 -0.00014 -0.00067 221 20 C 1S -0.00049 0.00132 -0.00463 -0.00063 -0.00221 222 2S 0.00146 -0.00276 0.01288 0.00277 0.00407 223 2PX 0.00256 -0.00251 0.01248 0.00570 0.01432 224 2PY 0.00227 -0.00581 0.01759 -0.00099 -0.00075 225 2PZ -0.00099 0.00005 -0.00426 -0.00203 -0.00916 226 3S -0.00160 0.00290 -0.00844 0.00323 0.02747 227 3PX -0.00064 0.00336 -0.03862 -0.00326 0.00035 228 3PY 0.00875 -0.01896 0.04561 -0.02524 -0.00117 229 3PZ -0.00730 0.01320 -0.07071 0.01155 -0.00893 230 4XX 0.00002 0.00005 -0.00072 -0.00013 -0.00007 231 4YY 0.00031 -0.00061 0.00235 0.00050 0.00029 232 4ZZ -0.00011 0.00007 -0.00046 0.00094 0.00033 233 4XY 0.00012 -0.00034 0.00021 -0.00050 -0.00008 234 4XZ -0.00011 0.00037 -0.00055 0.00065 0.00118 235 4YZ 0.00005 -0.00005 -0.00019 -0.00006 0.00070 236 21 H 1S 0.00241 -0.00468 0.01202 0.00068 0.00244 237 2S -0.00670 0.01393 -0.04564 0.02584 -0.01677 238 22 H 1S 0.00004 -0.00004 -0.00029 -0.00035 -0.00122 239 2S 0.00110 -0.00231 0.00642 -0.00538 -0.00174 240 23 H 1S -0.00024 0.00037 -0.00070 0.00016 0.00013 241 2S -0.00068 0.00129 -0.00096 0.00125 0.00080 242 24 H 1S 0.00020 -0.00042 -0.00037 -0.00095 -0.00243 243 2S 0.00061 -0.00138 0.00006 -0.00294 -0.00362 244 25 H 1S 0.00000 0.00019 -0.00119 0.00033 -0.00276 245 2S -0.00114 0.00187 -0.00026 0.00261 -0.00669 246 26 O 1S 0.00064 -0.00136 0.00789 0.00407 -0.00314 247 2S -0.00122 0.00301 -0.00805 -0.00967 0.00475 248 2PX 0.00002 0.00303 0.00023 -0.00268 0.00172 249 2PY -0.00235 0.01109 -0.02331 -0.00991 0.00480 250 2PZ 0.00316 -0.00783 0.02601 0.01972 -0.00537 251 3S -0.00369 0.00765 -0.08213 -0.01866 0.03462 252 3PX 0.00071 0.00083 0.00184 -0.00384 -0.00409 253 3PY -0.00224 0.00957 -0.03156 -0.00477 0.01043 254 3PZ 0.00252 -0.00521 0.03950 0.01623 -0.00667 255 4XX 0.00004 -0.00029 0.00268 0.00064 0.00043 256 4YY 0.00014 -0.00004 0.00302 -0.00051 -0.00114 257 4ZZ 0.00011 -0.00022 0.00447 0.00105 -0.00144 258 4XY 0.00020 -0.00065 0.00234 0.00060 -0.00060 259 4XZ -0.00037 0.00105 -0.00323 -0.00207 0.00229 260 4YZ -0.00011 0.00021 0.00019 -0.00044 0.00107 261 27 H 1S 0.00109 -0.00386 0.01182 0.00833 -0.00589 262 2S 0.00079 -0.00266 0.01855 0.00956 -0.01430 263 28 H 1S 0.00330 -0.00870 0.00932 -0.00042 -0.02775 264 2S -0.00174 0.00303 -0.02628 0.03455 -0.00146 136 137 138 139 140 136 3S 0.67474 137 3PX -0.01444 0.40740 138 3PY 0.12478 -0.03466 0.23882 139 3PZ -0.08893 -0.06550 0.06262 0.30267 140 4XX 0.00383 0.00011 0.00635 -0.00299 0.00032 141 4YY -0.00544 -0.00036 -0.02506 -0.01025 -0.00059 142 4ZZ -0.00210 0.00257 0.01060 0.02045 0.00005 143 4XY 0.00026 -0.02393 -0.00160 -0.00110 -0.00003 144 4XZ -0.00181 0.01349 -0.00050 0.00093 -0.00003 145 4YZ 0.00628 -0.00104 0.00559 -0.01973 0.00052 146 15 C 1S 0.00515 -0.00062 -0.00394 -0.00716 -0.00061 147 2S -0.00303 -0.00124 0.00572 0.01339 0.00068 148 2PX -0.01683 0.00978 0.01708 0.02997 0.00180 149 2PY 0.01491 -0.00007 0.00383 0.01850 -0.00022 150 2PZ 0.01073 -0.00611 -0.00334 0.00985 -0.00056 151 3S -0.02521 0.04729 0.01283 0.04572 0.00092 152 3PX 0.00355 -0.01388 0.02411 0.03863 0.00150 153 3PY 0.01655 0.02347 0.00119 0.00329 -0.00002 154 3PZ 0.03013 -0.04851 0.00803 0.01674 -0.00048 155 4XX 0.00099 0.00085 -0.00057 -0.00169 -0.00004 156 4YY -0.00076 -0.00050 -0.00035 -0.00018 0.00000 157 4ZZ -0.00096 -0.00119 0.00015 0.00172 0.00003 158 4XY -0.00070 0.00061 0.00030 -0.00025 0.00006 159 4XZ 0.00075 0.00014 0.00024 0.00208 0.00000 160 4YZ 0.00072 -0.00114 0.00072 0.00154 0.00002 161 16 C 1S 0.00155 0.00048 0.00093 0.00271 -0.00004 162 2S -0.00461 -0.00006 -0.00176 -0.00586 0.00010 163 2PX -0.00808 -0.00454 0.00058 0.00135 0.00039 164 2PY -0.00532 0.00212 -0.00567 -0.01686 -0.00018 165 2PZ 0.00096 0.00136 -0.00022 -0.00494 -0.00003 166 3S 0.00837 0.00650 0.00136 -0.01529 0.00056 167 3PX -0.01035 0.00516 -0.00823 -0.00249 -0.00009 168 3PY 0.00070 0.01294 -0.00831 -0.01713 -0.00030 169 3PZ -0.00931 0.00852 -0.00592 -0.00523 -0.00030 170 4XX -0.00093 0.00075 0.00074 0.00066 0.00007 171 4YY 0.00081 -0.00029 -0.00062 -0.00077 -0.00006 172 4ZZ 0.00013 -0.00015 0.00006 -0.00031 0.00001 173 4XY -0.00054 0.00026 0.00040 0.00079 0.00005 174 4XZ 0.00072 -0.00014 -0.00011 0.00002 -0.00003 175 4YZ 0.00080 0.00003 -0.00004 0.00092 -0.00005 176 17 C 1S -0.00039 -0.00025 -0.00046 -0.00169 -0.00001 177 2S 0.00091 0.00068 0.00160 0.00332 0.00009 178 2PX 0.01433 -0.00307 -0.00402 0.00343 -0.00068 179 2PY -0.00494 0.00335 0.00469 0.00522 0.00043 180 2PZ -0.00642 0.00310 0.00512 0.00481 0.00044 181 3S -0.00886 0.00386 -0.00773 0.00311 -0.00034 182 3PX 0.00772 0.00218 -0.00801 0.00087 -0.00078 183 3PY -0.01003 0.00341 0.00040 0.00487 0.00023 184 3PZ -0.00752 0.00766 0.00165 0.00160 0.00034 185 4XX -0.00037 -0.00031 0.00027 0.00077 0.00003 186 4YY -0.00046 0.00014 -0.00010 -0.00065 0.00001 187 4ZZ 0.00068 0.00012 -0.00023 -0.00039 -0.00004 188 4XY 0.00031 0.00007 -0.00037 -0.00039 -0.00004 189 4XZ -0.00015 -0.00008 0.00012 0.00044 0.00001 190 4YZ 0.00035 0.00022 -0.00013 -0.00021 -0.00002 191 18 C 1S 0.00079 -0.00070 -0.00028 -0.00043 -0.00006 192 2S -0.00267 0.00155 0.00046 0.00043 0.00019 193 2PX 0.00816 0.00168 -0.00451 -0.00592 -0.00047 194 2PY -0.00957 0.00205 0.00393 0.00424 0.00067 195 2PZ -0.00897 -0.00171 0.00433 0.00498 0.00058 196 3S 0.00851 -0.00867 0.00763 0.00371 0.00031 197 3PX 0.01134 0.00194 -0.00217 -0.00575 -0.00044 198 3PY -0.00313 -0.00696 0.00800 0.00672 0.00061 199 3PZ -0.00894 0.00579 0.00414 0.00583 0.00050 200 4XX 0.00059 -0.00022 -0.00016 -0.00005 -0.00004 201 4YY 0.00031 -0.00031 -0.00015 -0.00008 -0.00001 202 4ZZ -0.00071 0.00038 0.00037 0.00011 0.00004 203 4XY -0.00021 -0.00005 0.00027 0.00009 0.00001 204 4XZ 0.00049 -0.00008 -0.00017 0.00006 -0.00003 205 4YZ 0.00020 -0.00014 -0.00002 0.00010 -0.00002 206 19 C 1S -0.00071 0.00164 0.00008 -0.00024 0.00003 207 2S 0.00177 -0.00218 0.00031 0.00098 -0.00011 208 2PX 0.00051 -0.00228 0.00182 0.00120 -0.00018 209 2PY 0.00666 -0.00502 -0.00230 0.00072 -0.00046 210 2PZ 0.00458 -0.00455 -0.00202 0.00062 -0.00028 211 3S 0.00051 -0.02247 -0.00968 -0.00756 -0.00023 212 3PX 0.00007 -0.01053 0.00091 0.00103 -0.00002 213 3PY 0.01673 -0.02997 0.00404 0.00027 -0.00010 214 3PZ -0.00313 0.00030 -0.00877 -0.00347 -0.00021 215 4XX -0.00119 -0.00004 0.00067 0.00072 0.00006 216 4YY 0.00052 0.00038 -0.00034 -0.00050 -0.00002 217 4ZZ 0.00062 -0.00018 -0.00040 -0.00051 -0.00004 218 4XY -0.00031 -0.00023 0.00018 0.00020 0.00003 219 4XZ 0.00073 -0.00044 -0.00037 -0.00043 -0.00005 220 4YZ 0.00114 -0.00031 -0.00043 -0.00048 -0.00007 221 20 C 1S 0.00189 -0.00289 -0.00034 -0.00108 -0.00001 222 2S -0.00756 0.00944 0.00253 0.00164 0.00039 223 2PX -0.02554 0.00948 0.01086 0.00943 0.00161 224 2PY -0.00526 0.01546 -0.00238 -0.00180 0.00034 225 2PZ 0.01692 -0.00313 -0.00644 -0.00712 -0.00083 226 3S -0.00189 -0.00708 0.00463 0.01956 -0.00004 227 3PX -0.00983 -0.02995 0.00175 -0.00044 0.00089 228 3PY -0.02345 0.03665 -0.01815 -0.00431 -0.00039 229 3PZ 0.03451 -0.05425 0.00234 -0.00495 -0.00063 230 4XX -0.00008 -0.00060 0.00001 0.00016 0.00001 231 4YY -0.00197 0.00193 0.00059 -0.00001 0.00010 232 4ZZ 0.00122 -0.00038 0.00033 0.00021 -0.00005 233 4XY -0.00014 0.00027 -0.00047 -0.00017 -0.00002 234 4XZ 0.00008 -0.00059 0.00065 0.00103 0.00002 235 4YZ 0.00025 -0.00023 -0.00001 0.00065 -0.00005 236 21 H 1S -0.01377 0.01050 0.00182 0.00011 0.00078 237 2S 0.01963 -0.03426 0.01560 -0.01075 0.00099 238 22 H 1S 0.00033 0.00006 -0.00043 -0.00096 0.00000 239 2S -0.00343 0.00533 -0.00369 -0.00199 -0.00007 240 23 H 1S 0.00192 -0.00066 -0.00013 0.00047 -0.00013 241 2S 0.00336 -0.00096 0.00063 0.00121 -0.00014 242 24 H 1S -0.00173 -0.00003 -0.00081 -0.00257 0.00001 243 2S -0.00311 0.00054 -0.00221 -0.00381 -0.00003 244 25 H 1S -0.00088 -0.00094 0.00041 -0.00264 0.00012 245 2S 0.00453 -0.00025 0.00098 -0.00490 0.00001 246 26 O 1S -0.00267 0.00716 0.00287 -0.00238 0.00010 247 2S 0.00399 -0.00831 -0.00643 0.00354 -0.00012 248 2PX -0.00785 -0.00981 0.00022 0.00386 0.00121 249 2PY -0.01205 -0.01711 -0.00112 0.00002 0.00151 250 2PZ -0.00934 0.02424 0.01418 -0.00566 0.00050 251 3S 0.00749 -0.06993 -0.01045 0.02776 -0.00044 252 3PX -0.00698 -0.00691 -0.00139 -0.00056 0.00099 253 3PY -0.00778 -0.02356 0.00142 0.00552 0.00121 254 3PZ -0.00808 0.03347 0.01184 -0.00617 0.00056 255 4XX 0.00055 0.00273 0.00034 0.00012 -0.00009 256 4YY -0.00096 0.00220 -0.00021 -0.00096 0.00006 257 4ZZ -0.00002 0.00391 0.00058 -0.00121 0.00003 258 4XY 0.00014 0.00175 0.00016 -0.00033 -0.00003 259 4XZ 0.00050 -0.00317 -0.00115 0.00198 -0.00002 260 4YZ 0.00004 0.00005 -0.00013 0.00084 -0.00002 261 27 H 1S 0.00063 0.01490 0.00465 -0.00648 -0.00024 262 2S 0.00176 0.01892 0.00447 -0.01249 0.00001 263 28 H 1S -0.00661 0.00281 -0.00230 -0.01915 0.00006 264 2S 0.01004 -0.02673 0.02253 0.00406 0.00050 141 142 143 144 145 141 4YY 0.00300 142 4ZZ -0.00147 0.00184 143 4XY 0.00040 -0.00051 0.00172 144 4XZ -0.00009 0.00027 -0.00096 0.00056 145 4YZ -0.00029 -0.00121 0.00023 -0.00021 0.00188 146 15 C 1S -0.00016 -0.00082 0.00022 -0.00018 0.00015 147 2S 0.00017 0.00113 -0.00050 0.00039 -0.00033 148 2PX 0.00057 0.00245 -0.00129 0.00115 -0.00047 149 2PY -0.00050 0.00027 -0.00064 0.00041 -0.00057 150 2PZ -0.00003 -0.00028 -0.00004 -0.00009 -0.00060 151 3S -0.00094 0.00441 -0.00399 0.00248 -0.00264 152 3PX -0.00033 0.00278 -0.00053 0.00046 -0.00084 153 3PY -0.00033 0.00027 -0.00149 0.00085 -0.00024 154 3PZ -0.00073 -0.00020 0.00240 -0.00152 -0.00040 155 4XX 0.00003 -0.00012 0.00011 -0.00005 0.00007 156 4YY 0.00003 -0.00001 0.00000 -0.00001 -0.00001 157 4ZZ 0.00004 0.00009 -0.00005 0.00005 -0.00006 158 4XY 0.00004 0.00003 0.00003 -0.00001 0.00003 159 4XZ -0.00001 0.00010 -0.00010 0.00005 -0.00009 160 4YZ 0.00001 0.00003 -0.00003 0.00001 -0.00001 161 16 C 1S -0.00012 0.00003 -0.00013 0.00010 -0.00004 162 2S 0.00020 -0.00004 0.00022 -0.00014 0.00013 163 2PX 0.00042 0.00048 -0.00006 -0.00002 -0.00005 164 2PY 0.00006 -0.00056 0.00052 -0.00039 0.00037 165 2PZ -0.00005 -0.00020 0.00016 -0.00006 0.00018 166 3S 0.00047 -0.00043 0.00001 0.00001 0.00093 167 3PX 0.00083 -0.00011 -0.00045 0.00023 -0.00023 168 3PY 0.00028 -0.00085 -0.00008 -0.00001 0.00036 169 3PZ 0.00012 -0.00018 -0.00014 0.00015 -0.00017 170 4XX 0.00000 0.00008 -0.00005 0.00005 0.00001 171 4YY -0.00001 -0.00007 0.00003 -0.00003 0.00001 172 4ZZ 0.00000 -0.00001 0.00001 -0.00001 0.00003 173 4XY 0.00002 0.00007 -0.00004 0.00004 -0.00002 174 4XZ -0.00002 -0.00003 0.00001 -0.00001 0.00000 175 4YZ -0.00005 -0.00001 -0.00003 0.00001 -0.00004 176 17 C 1S 0.00003 -0.00007 0.00006 -0.00005 0.00005 177 2S -0.00004 0.00017 -0.00014 0.00010 -0.00006 178 2PX -0.00027 -0.00059 0.00010 -0.00014 -0.00026 179 2PY 0.00003 0.00049 -0.00026 0.00028 -0.00003 180 2PZ -0.00003 0.00058 -0.00025 0.00029 -0.00001 181 3S 0.00039 -0.00003 -0.00026 0.00020 -0.00056 182 3PX -0.00002 -0.00057 -0.00011 -0.00004 -0.00043 183 3PY 0.00025 0.00047 -0.00025 0.00026 -0.00026 184 3PZ 0.00021 0.00041 -0.00048 0.00038 -0.00003 185 4XX 0.00002 0.00005 -0.00002 0.00001 -0.00002 186 4YY 0.00001 -0.00001 0.00001 -0.00001 0.00002 187 4ZZ -0.00003 -0.00005 0.00002 -0.00001 0.00001 188 4XY -0.00001 -0.00004 0.00001 -0.00001 0.00000 189 4XZ 0.00002 0.00002 -0.00001 0.00001 -0.00001 190 4YZ -0.00001 -0.00003 0.00001 0.00000 0.00000 191 18 C 1S 0.00001 -0.00006 0.00005 -0.00005 0.00001 192 2S 0.00004 0.00017 -0.00011 0.00010 0.00000 193 2PX -0.00033 -0.00063 0.00019 -0.00014 0.00005 194 2PY 0.00015 0.00070 -0.00030 0.00033 -0.00001 195 2PZ 0.00039 0.00063 -0.00018 0.00013 -0.00002 196 3S -0.00042 0.00024 0.00027 -0.00017 0.00021 197 3PX -0.00044 -0.00058 0.00017 -0.00017 0.00013 198 3PY -0.00017 0.00070 0.00008 0.00003 0.00007 199 3PZ 0.00022 0.00079 -0.00062 0.00039 -0.00016 200 4XX -0.00001 -0.00004 0.00001 -0.00001 0.00000 201 4YY 0.00000 -0.00002 0.00002 -0.00002 0.00000 202 4ZZ 0.00001 0.00005 -0.00002 0.00002 0.00001 203 4XY -0.00001 0.00002 0.00000 0.00000 0.00001 204 4XZ 0.00000 -0.00002 0.00000 -0.00001 -0.00001 205 4YZ 0.00000 -0.00002 0.00001 -0.00001 0.00000 206 19 C 1S -0.00009 0.00003 -0.00008 0.00010 0.00000 207 2S 0.00009 -0.00006 0.00011 -0.00013 -0.00003 208 2PX -0.00010 -0.00013 0.00013 -0.00008 0.00002 209 2PY 0.00026 -0.00042 0.00026 -0.00036 -0.00011 210 2PZ 0.00019 -0.00039 0.00025 -0.00027 -0.00007 211 3S 0.00127 -0.00121 0.00146 -0.00080 0.00037 212 3PX 0.00002 -0.00016 0.00057 -0.00026 0.00008 213 3PY 0.00005 -0.00069 0.00156 -0.00105 0.00049 214 3PZ 0.00084 -0.00055 0.00013 -0.00007 -0.00009 215 4XX 0.00001 0.00009 -0.00003 0.00003 0.00000 216 4YY -0.00003 -0.00004 0.00001 0.00000 0.00001 217 4ZZ 0.00002 -0.00005 0.00003 -0.00003 0.00001 218 4XY 0.00002 0.00002 0.00000 0.00000 0.00000 219 4XZ 0.00001 -0.00006 0.00004 -0.00003 0.00001 220 4YZ -0.00002 -0.00009 0.00004 -0.00004 0.00001 221 20 C 1S 0.00029 -0.00001 0.00017 -0.00020 0.00004 222 2S -0.00045 0.00054 -0.00063 0.00052 -0.00008 223 2PX -0.00004 0.00188 -0.00099 0.00104 0.00004 224 2PY -0.00048 0.00020 -0.00065 0.00060 -0.00016 225 2PZ -0.00039 -0.00082 0.00036 -0.00042 0.00002 226 3S -0.00059 0.00114 -0.00005 0.00011 -0.00108 227 3PX 0.00108 -0.00013 0.00148 -0.00052 0.00064 228 3PY 0.00060 0.00006 -0.00166 0.00115 -0.00094 229 3PZ -0.00038 -0.00164 0.00312 -0.00204 0.00080 230 4XX 0.00006 -0.00002 0.00004 -0.00003 0.00001 231 4YY -0.00007 0.00011 -0.00011 0.00009 0.00000 232 4ZZ -0.00011 -0.00001 0.00000 -0.00002 -0.00001 233 4XY 0.00000 -0.00004 0.00001 0.00000 -0.00002 234 4XZ -0.00001 0.00006 0.00000 0.00000 -0.00002 235 4YZ 0.00001 -0.00001 0.00000 -0.00001 -0.00003 236 21 H 1S -0.00024 0.00061 -0.00051 0.00061 0.00002 237 2S -0.00085 -0.00073 0.00199 -0.00107 0.00177 238 22 H 1S 0.00007 0.00003 0.00001 -0.00003 0.00003 239 2S 0.00026 0.00000 -0.00023 0.00014 -0.00011 240 23 H 1S -0.00002 -0.00008 0.00004 -0.00006 -0.00002 241 2S -0.00007 -0.00007 0.00003 -0.00007 -0.00003 242 24 H 1S 0.00003 -0.00002 0.00005 -0.00005 0.00006 243 2S 0.00011 -0.00009 0.00009 -0.00007 0.00005 244 25 H 1S 0.00012 0.00000 0.00009 -0.00006 0.00014 245 2S -0.00012 -0.00025 0.00013 -0.00015 0.00031 246 26 O 1S -0.00025 0.00027 -0.00028 0.00010 -0.00009 247 2S 0.00066 -0.00044 0.00024 -0.00004 0.00017 248 2PX 0.00174 0.00084 0.00025 -0.00008 0.00009 249 2PY 0.00228 0.00072 0.00032 0.00039 0.00052 250 2PZ -0.00077 0.00060 -0.00025 0.00004 -0.00034 251 3S 0.00191 -0.00063 0.00290 -0.00157 -0.00065 252 3PX 0.00157 0.00025 -0.00001 0.00004 0.00040 253 3PY 0.00170 0.00067 0.00081 0.00003 0.00029 254 3PZ -0.00075 0.00081 -0.00100 0.00054 -0.00019 255 4XX -0.00018 -0.00001 -0.00014 0.00007 -0.00006 256 4YY 0.00008 0.00003 -0.00012 0.00008 0.00003 257 4ZZ -0.00012 0.00005 -0.00011 0.00007 0.00005 258 4XY -0.00010 0.00001 -0.00003 0.00000 -0.00002 259 4XZ 0.00015 0.00001 0.00002 0.00000 -0.00005 260 4YZ 0.00006 0.00001 -0.00001 0.00000 -0.00008 261 27 H 1S -0.00099 -0.00020 -0.00016 0.00007 0.00001 262 2S -0.00099 -0.00010 -0.00021 0.00011 0.00033 263 28 H 1S 0.00026 -0.00119 -0.00085 -0.00010 0.00121 264 2S -0.00177 0.00000 -0.00013 -0.00044 0.00118 146 147 148 149 150 146 15 C 1S 2.06068 147 2S -0.09577 0.29720 148 2PX 0.00332 -0.00937 0.33914 149 2PY 0.00262 -0.00496 0.02452 0.38145 150 2PZ 0.00185 -0.00421 0.03764 -0.03509 0.36908 151 3S -0.15140 0.23139 0.03935 0.00831 0.00857 152 3PX -0.01446 0.03170 0.21186 -0.01483 -0.02439 153 3PY -0.01795 0.03323 0.00467 0.17194 0.02816 154 3PZ -0.00264 0.01454 -0.03023 0.02700 0.17916 155 4XX -0.00243 -0.00210 0.00172 0.01038 0.00922 156 4YY -0.00455 0.00333 -0.00001 -0.01490 0.00447 157 4ZZ -0.00401 0.00145 0.00109 0.00686 -0.01218 158 4XY -0.00284 0.00626 0.00754 -0.00361 0.01260 159 4XZ -0.00350 0.00788 0.00596 0.01244 -0.00342 160 4YZ 0.00223 -0.00572 0.01488 0.00405 0.00635 161 16 C 1S 0.01690 -0.03306 0.02178 0.06721 -0.02543 162 2S -0.03249 0.05778 -0.04201 -0.13390 0.05065 163 2PX -0.02542 0.05003 0.07083 -0.14481 -0.03434 164 2PY -0.06834 0.13664 -0.13949 -0.20721 0.13629 165 2PZ 0.02220 -0.04415 -0.03679 0.13294 0.03986 166 3S -0.02225 0.05775 -0.00526 -0.08898 0.04957 167 3PX 0.00154 -0.00361 0.04398 -0.08336 -0.05347 168 3PY -0.01742 0.04227 -0.07988 -0.06878 0.06675 169 3PZ 0.01539 -0.03658 -0.05973 0.06565 0.02339 170 4XX 0.00152 -0.00401 0.00789 0.00302 -0.00206 171 4YY -0.00627 0.01049 -0.01028 -0.00654 0.00983 172 4ZZ 0.00176 -0.00455 0.00284 0.00428 -0.00897 173 4XY -0.00310 0.00527 0.00712 -0.00934 0.00305 174 4XZ 0.00219 -0.00474 -0.00174 0.00869 0.00134 175 4YZ 0.00323 -0.00580 0.00329 0.00864 0.00665 176 17 C 1S -0.00358 0.00744 -0.00638 -0.01171 0.00115 177 2S 0.00700 -0.01436 0.01602 0.02798 -0.00202 178 2PX 0.00996 -0.02229 0.00762 0.03167 0.00296 179 2PY 0.01045 -0.02428 0.01804 0.02663 -0.00935 180 2PZ 0.00413 -0.01002 0.01276 0.00693 -0.00386 181 3S 0.01671 -0.03986 -0.00240 0.01602 -0.00717 182 3PX 0.00816 -0.01785 -0.00941 0.02308 0.00958 183 3PY 0.01142 -0.02829 0.01180 0.01197 -0.01662 184 3PZ 0.00119 -0.00139 0.01648 -0.00510 -0.00554 185 4XX 0.00024 -0.00039 0.00667 -0.00458 -0.00588 186 4YY -0.00120 0.00293 -0.00386 -0.00570 0.00281 187 4ZZ 0.00104 -0.00192 -0.00410 0.00790 0.00358 188 4XY -0.00072 0.00168 -0.00395 -0.00407 0.00208 189 4XZ 0.00116 -0.00239 0.00184 0.00316 -0.00219 190 4YZ 0.00004 -0.00024 -0.00392 0.00197 0.00264 191 18 C 1S -0.00265 0.00476 -0.00527 -0.00345 -0.00373 192 2S 0.00491 -0.01037 0.01000 0.00670 0.00743 193 2PX 0.00468 -0.00809 -0.04383 0.04231 0.04997 194 2PY 0.00336 -0.00678 0.04181 -0.03217 -0.01033 195 2PZ 0.00313 -0.00639 0.04976 -0.01051 -0.04102 196 3S 0.00384 0.00138 0.02313 0.01617 0.01632 197 3PX -0.00004 0.00485 -0.04510 0.04098 0.04878 198 3PY 0.00053 0.00194 0.04112 -0.02663 -0.01578 199 3PZ -0.00053 0.00301 0.05041 -0.01702 -0.03907 200 4XX 0.00008 -0.00043 -0.00058 0.00062 0.00052 201 4YY -0.00016 0.00035 0.00020 -0.00130 0.00089 202 4ZZ -0.00017 0.00020 0.00038 0.00074 -0.00130 203 4XY 0.00022 -0.00050 0.00031 -0.00085 0.00087 204 4XZ 0.00018 -0.00035 0.00010 0.00107 -0.00060 205 4YZ 0.00028 -0.00085 0.00046 -0.00024 -0.00008 206 19 C 1S -0.00342 0.00722 -0.00779 0.00204 -0.01123 207 2S 0.00713 -0.01451 0.01836 -0.00482 0.02631 208 2PX 0.01000 -0.02352 0.01412 -0.00260 0.03112 209 2PY 0.00312 -0.00731 0.01046 -0.00088 0.00631 210 2PZ 0.01005 -0.02315 0.02047 -0.01045 0.02448 211 3S 0.01349 -0.03463 0.00865 -0.00433 0.02221 212 3PX 0.00820 -0.01888 -0.00045 0.00570 0.02719 213 3PY 0.00177 0.00060 0.01035 0.00352 -0.00212 214 3PZ 0.00865 -0.02361 0.01865 -0.01453 0.01168 215 4XX -0.00001 0.00011 0.00583 -0.00404 -0.00645 216 4YY 0.00120 -0.00221 -0.00231 0.00109 0.00800 217 4ZZ -0.00110 0.00267 -0.00497 0.00351 -0.00372 218 4XY 0.00115 -0.00247 0.00350 -0.00313 0.00232 219 4XZ -0.00077 0.00177 -0.00439 0.00256 -0.00316 220 4YZ 0.00024 -0.00067 -0.00411 0.00217 0.00423 221 20 C 1S 0.01646 -0.03200 0.02966 -0.03171 0.06101 222 2S -0.03236 0.05701 -0.05690 0.06432 -0.12069 223 2PX -0.03126 0.06147 0.04560 0.00136 -0.17372 224 2PY 0.02984 -0.05963 -0.00070 -0.00652 0.14773 225 2PZ -0.06202 0.12540 -0.17164 0.15297 -0.14570 226 3S -0.00548 0.03450 -0.04942 0.04816 -0.08895 227 3PX 0.00169 -0.00080 0.03197 -0.02988 -0.09339 228 3PY 0.01544 -0.04016 -0.03114 -0.00627 0.07382 229 3PZ -0.00985 0.03252 -0.10200 0.07615 -0.03573 230 4XX 0.00072 -0.00239 0.00844 -0.00081 0.00006 231 4YY 0.00116 -0.00364 0.00265 -0.01021 0.00176 232 4ZZ -0.00484 0.00812 -0.01109 0.01005 -0.00124 233 4XY 0.00287 -0.00592 -0.00085 0.00052 0.01073 234 4XZ -0.00345 0.00603 0.00345 0.00550 -0.00903 235 4YZ 0.00390 -0.00712 0.00692 0.00259 0.00868 236 21 H 1S 0.01037 -0.02417 0.01013 -0.02749 0.03248 237 2S 0.00886 -0.01669 0.00652 -0.04367 0.04516 238 22 H 1S -0.00665 0.01531 -0.01195 0.01007 -0.02279 239 2S -0.00706 0.01462 -0.02013 0.01264 -0.03557 240 23 H 1S -0.00091 0.00093 -0.00212 -0.00135 -0.00154 241 2S -0.00084 0.00192 0.00116 0.00059 0.00008 242 24 H 1S -0.00653 0.01504 -0.00949 -0.02464 0.00732 243 2S -0.00639 0.01376 -0.01779 -0.03925 0.00824 244 25 H 1S 0.01031 -0.02344 0.00637 0.03666 -0.02266 245 2S 0.00977 -0.01956 -0.00340 0.05303 -0.04396 246 26 O 1S -0.00134 0.00302 0.00346 -0.00121 0.00543 247 2S 0.00210 -0.00584 -0.00815 0.00114 -0.01255 248 2PX -0.01517 0.02593 0.03044 0.01884 0.04328 249 2PY -0.01057 0.01854 0.02945 0.01403 0.01638 250 2PZ -0.01312 0.02487 0.03924 0.00766 0.03477 251 3S 0.00664 -0.00900 -0.01405 0.01620 -0.02358 252 3PX -0.01461 0.02509 0.03167 0.01943 0.04547 253 3PY -0.01142 0.02124 0.03410 0.02189 0.02078 254 3PZ -0.01365 0.02379 0.04489 0.00295 0.03418 255 4XX 0.00034 -0.00076 -0.00119 -0.00067 -0.00114 256 4YY -0.00031 0.00013 -0.00065 -0.00140 -0.00070 257 4ZZ -0.00015 0.00028 0.00133 0.00040 0.00081 258 4XY 0.00035 -0.00047 -0.00128 -0.00053 0.00013 259 4XZ 0.00009 0.00013 0.00127 0.00151 0.00144 260 4YZ -0.00061 0.00120 0.00270 0.00051 0.00125 261 27 H 1S 0.00157 -0.00230 -0.00186 -0.00419 -0.00565 262 2S 0.00074 -0.00121 -0.01082 0.00156 0.00498 263 28 H 1S 0.00885 -0.01870 -0.01607 -0.02576 -0.01694 264 2S 0.00936 -0.01852 -0.01038 -0.04760 -0.02938 151 152 153 154 155 151 3S 0.23870 152 3PX 0.05749 0.16179 153 3PY 0.04177 -0.00853 0.09895 154 3PZ 0.00914 -0.03641 0.04017 0.11400 155 4XX -0.00116 -0.00165 0.00644 0.00590 0.00101 156 4YY 0.00208 0.00055 -0.00694 0.00011 -0.00053 157 4ZZ 0.00146 0.00207 0.00139 -0.00579 -0.00032 158 4XY 0.00543 0.00438 0.00074 0.00509 0.00033 159 4XZ 0.00659 0.00419 0.00579 -0.00049 0.00036 160 4YZ -0.00393 0.00892 0.00152 0.00207 0.00042 161 16 C 1S -0.00966 0.00995 0.01883 -0.00254 0.00143 162 2S 0.04214 -0.02876 -0.05041 0.00247 -0.00367 163 2PX 0.05297 0.05624 -0.07413 -0.05154 -0.00909 164 2PY 0.08887 -0.06653 -0.05532 0.07549 -0.00293 165 2PZ -0.01638 -0.06026 0.06348 0.01948 0.00212 166 3S 0.05568 -0.00304 -0.02360 0.00602 -0.00209 167 3PX -0.00382 0.03219 -0.05430 -0.05155 -0.00586 168 3PY 0.00966 -0.04536 -0.01290 0.04289 -0.00023 169 3PZ -0.02011 -0.06507 0.03033 0.01014 0.00104 170 4XX -0.00265 0.00550 0.00054 -0.00236 0.00019 171 4YY 0.00693 -0.00617 -0.00022 0.00691 0.00001 172 4ZZ -0.00297 0.00054 0.00013 -0.00596 -0.00032 173 4XY 0.00395 0.00639 -0.00356 0.00038 -0.00008 174 4XZ -0.00393 -0.00370 0.00374 0.00060 0.00027 175 4YZ -0.00508 0.00031 0.00411 0.00515 0.00067 176 17 C 1S 0.00991 -0.00397 -0.00621 0.00006 -0.00067 177 2S -0.02967 0.01384 0.01935 0.00170 0.00175 178 2PX -0.02068 -0.01205 0.00783 0.01414 0.00229 179 2PY -0.01483 0.01050 0.01196 -0.01914 0.00251 180 2PZ -0.00472 0.01925 -0.00646 -0.00008 0.00242 181 3S -0.05208 -0.00648 0.00342 -0.00494 0.00038 182 3PX -0.01866 -0.02249 0.00664 0.01372 0.00117 183 3PY -0.01244 0.00378 -0.00095 -0.02293 0.00047 184 3PZ -0.00431 0.02193 -0.00592 -0.00486 0.00082 185 4XX 0.00057 0.00537 -0.00369 -0.00493 -0.00024 186 4YY 0.00066 -0.00077 -0.00196 0.00230 -0.00005 187 4ZZ -0.00129 -0.00519 0.00464 0.00294 0.00019 188 4XY -0.00014 -0.00218 -0.00127 0.00226 -0.00002 189 4XZ -0.00143 0.00078 0.00103 -0.00220 0.00011 190 4YZ 0.00038 -0.00338 0.00132 0.00186 0.00027 191 18 C 1S 0.00631 -0.00225 -0.00188 -0.00116 0.00009 192 2S -0.00228 -0.00246 -0.00057 -0.00242 -0.00048 193 2PX -0.03033 -0.04779 0.03567 0.04749 0.00041 194 2PY -0.01356 0.04116 -0.03136 -0.00994 -0.00070 195 2PZ -0.01223 0.05038 -0.00316 -0.04387 -0.00058 196 3S 0.00529 0.01115 0.00801 0.00750 0.00022 197 3PX -0.01226 -0.04313 0.03555 0.04730 0.00119 198 3PY -0.00149 0.04162 -0.02062 -0.01460 -0.00084 199 3PZ -0.00033 0.05072 -0.01040 -0.03622 -0.00093 200 4XX 0.00044 -0.00143 0.00032 0.00066 0.00003 201 4YY -0.00022 0.00042 -0.00118 0.00086 0.00005 202 4ZZ 0.00013 0.00104 0.00092 -0.00137 -0.00001 203 4XY 0.00066 0.00000 -0.00086 0.00034 0.00005 204 4XZ 0.00042 -0.00043 0.00047 -0.00072 0.00012 205 4YZ 0.00092 0.00001 -0.00083 -0.00070 0.00021 206 19 C 1S 0.00870 -0.00482 0.00000 -0.00598 -0.00076 207 2S -0.02887 0.01526 0.00093 0.01795 0.00189 208 2PX -0.01533 -0.00319 0.00682 0.01398 0.00139 209 2PY -0.00526 0.01144 0.00759 -0.00678 0.00323 210 2PZ -0.01386 0.00770 -0.01729 0.00427 0.00406 211 3S -0.03906 0.00189 -0.00477 0.01258 0.00086 212 3PX -0.00997 -0.01149 0.00694 0.01539 0.00023 213 3PY -0.00490 0.01523 0.00449 -0.00081 0.00173 214 3PZ -0.00791 0.00401 -0.01921 -0.00566 0.00172 215 4XX 0.00098 0.00533 -0.00292 -0.00505 -0.00030 216 4YY -0.00181 -0.00415 0.00070 0.00485 0.00011 217 4ZZ 0.00061 -0.00175 0.00252 -0.00066 0.00011 218 4XY -0.00110 0.00174 -0.00271 -0.00020 0.00010 219 4XZ -0.00005 -0.00214 0.00205 -0.00009 0.00006 220 4YZ 0.00014 -0.00440 0.00116 0.00298 0.00035 221 20 C 1S -0.00864 0.01329 -0.00571 0.02141 0.00076 222 2S 0.04060 -0.03537 0.00883 -0.05174 -0.00220 223 2PX 0.05924 0.05424 -0.02190 -0.09771 -0.01014 224 2PY -0.03264 -0.05004 -0.01233 0.06052 0.00078 225 2PZ 0.07930 -0.08708 0.07597 -0.01973 0.00062 226 3S 0.01529 -0.02811 0.00293 -0.03200 -0.00218 227 3PX -0.00137 0.03477 -0.03323 -0.05756 -0.00656 228 3PY -0.01936 -0.05552 -0.01132 0.02671 0.00047 229 3PZ 0.00268 -0.05853 0.03758 0.01823 0.00170 230 4XX -0.00139 0.00592 -0.00085 -0.00149 0.00024 231 4YY -0.00221 0.00003 -0.00684 -0.00178 -0.00058 232 4ZZ 0.00506 -0.00662 0.00662 0.00312 0.00020 233 4XY -0.00470 -0.00381 -0.00018 0.00500 0.00034 234 4XZ 0.00453 0.00436 0.00263 -0.00384 -0.00002 235 4YZ -0.00511 0.00303 0.00238 0.00398 0.00050 236 21 H 1S -0.01048 -0.01915 -0.03225 -0.00042 -0.00302 237 2S -0.01792 -0.00728 -0.02972 0.01666 -0.00203 238 22 H 1S -0.00008 0.00358 0.01291 -0.00566 -0.00105 239 2S 0.00581 -0.00511 0.01013 -0.01460 -0.00139 240 23 H 1S 0.01884 -0.00669 -0.00486 -0.00452 0.00055 241 2S 0.01247 -0.00048 -0.00095 -0.00060 0.00110 242 24 H 1S 0.00061 0.00344 -0.00864 0.01131 -0.00104 243 2S 0.00523 -0.00495 -0.01780 0.00790 -0.00156 244 25 H 1S -0.00627 -0.01704 0.00859 -0.02989 -0.00229 245 2S -0.01922 -0.01271 0.01643 -0.02700 -0.00149 246 26 O 1S -0.00084 -0.00999 -0.00649 -0.00809 -0.00026 247 2S 0.00343 0.02040 0.01386 0.01551 0.00049 248 2PX 0.08768 0.05071 0.05034 0.04920 -0.00076 249 2PY 0.14085 0.02513 0.01948 -0.00272 0.00204 250 2PZ 0.06529 0.03447 0.03306 0.01322 -0.00049 251 3S -0.00386 0.03295 0.02089 0.02962 -0.00106 252 3PX 0.07141 0.04212 0.04091 0.04132 -0.00037 253 3PY 0.11796 0.02705 0.02428 0.00542 0.00225 254 3PZ 0.05884 0.03328 0.02539 0.00996 0.00036 255 4XX -0.00467 -0.00251 -0.00206 -0.00229 0.00009 256 4YY 0.00427 0.00042 0.00009 -0.00073 -0.00009 257 4ZZ 0.00085 0.00053 0.00117 0.00048 0.00030 258 4XY -0.00386 -0.00073 0.00052 0.00108 -0.00006 259 4XZ -0.00176 0.00013 -0.00107 0.00085 0.00007 260 4YZ 0.00190 0.00235 0.00135 0.00073 -0.00006 261 27 H 1S -0.00649 -0.00588 -0.00267 -0.01078 0.00049 262 2S -0.00317 -0.01642 0.00320 -0.00248 0.00098 263 28 H 1S -0.05487 -0.00909 -0.04076 -0.02612 -0.00499 264 2S -0.04396 0.00732 -0.04462 -0.02349 -0.00574 156 157 158 159 160 156 4YY 0.00132 157 4ZZ -0.00077 0.00119 158 4XY 0.00007 -0.00020 0.00130 159 4XZ -0.00032 0.00023 -0.00015 0.00116 160 4YZ -0.00010 -0.00021 0.00047 0.00040 0.00138 161 16 C 1S -0.00605 0.00157 -0.00286 0.00225 0.00321 162 2S 0.01032 -0.00439 0.00516 -0.00477 -0.00548 163 2PX 0.01016 -0.00182 -0.00787 0.00163 -0.00321 164 2PY 0.00521 -0.00419 0.00799 -0.00858 -0.00885 165 2PZ -0.01008 0.00831 -0.00329 -0.00164 -0.00733 166 3S 0.00720 -0.00333 0.00485 -0.00319 -0.00367 167 3PX 0.00744 -0.00200 -0.00667 0.00133 -0.00089 168 3PY -0.00032 -0.00092 0.00461 -0.00517 -0.00387 169 3PZ -0.00599 0.00540 -0.00108 -0.00303 -0.00623 170 4XX -0.00044 0.00030 0.00040 -0.00006 0.00041 171 4YY 0.00047 -0.00050 0.00024 -0.00008 -0.00047 172 4ZZ 0.00006 0.00034 -0.00074 0.00023 -0.00017 173 4XY 0.00052 -0.00035 0.00067 -0.00001 0.00045 174 4XZ -0.00016 0.00005 -0.00009 0.00006 -0.00008 175 4YZ -0.00017 -0.00047 0.00025 0.00028 0.00088 176 17 C 1S 0.00011 0.00079 -0.00101 -0.00010 -0.00137 177 2S -0.00007 -0.00135 0.00224 0.00047 0.00294 178 2PX 0.00669 -0.00697 -0.00022 0.00424 0.00599 179 2PY -0.00163 0.00116 0.00675 -0.00200 0.00170 180 2PZ -0.00395 0.00238 0.00637 -0.00254 0.00153 181 3S 0.00016 -0.00072 0.00009 -0.00105 0.00116 182 3PX 0.00449 -0.00493 -0.00261 0.00321 0.00280 183 3PY -0.00189 0.00253 0.00308 -0.00218 -0.00030 184 3PZ -0.00363 0.00278 0.00443 -0.00213 0.00084 185 4XX 0.00056 -0.00024 -0.00017 0.00023 0.00031 186 4YY -0.00008 -0.00003 0.00015 -0.00029 -0.00025 187 4ZZ -0.00040 0.00024 -0.00002 -0.00003 -0.00018 188 4XY 0.00029 -0.00028 0.00023 -0.00014 0.00005 189 4XZ -0.00003 0.00005 0.00010 0.00004 0.00008 190 4YZ -0.00009 -0.00005 0.00045 -0.00017 0.00000 191 18 C 1S -0.00015 -0.00011 0.00019 0.00018 0.00024 192 2S 0.00032 0.00017 -0.00045 -0.00040 -0.00081 193 2PX -0.00056 -0.00018 -0.00027 -0.00032 -0.00068 194 2PY 0.00151 -0.00095 0.00073 -0.00107 0.00022 195 2PZ -0.00064 0.00112 -0.00108 0.00071 0.00012 196 3S -0.00028 -0.00012 0.00040 0.00031 0.00070 197 3PX -0.00102 -0.00067 0.00013 -0.00010 -0.00055 198 3PY 0.00100 -0.00038 0.00050 -0.00044 0.00071 199 3PZ -0.00021 0.00091 -0.00046 0.00063 0.00071 200 4XX 0.00004 0.00000 0.00007 0.00011 0.00020 201 4YY 0.00026 -0.00035 -0.00037 0.00024 0.00002 202 4ZZ -0.00034 0.00033 0.00037 -0.00030 -0.00011 203 4XY -0.00036 0.00037 0.00035 -0.00012 0.00005 204 4XZ 0.00025 -0.00030 -0.00012 0.00023 0.00016 205 4YZ 0.00003 -0.00011 0.00005 0.00017 0.00017 206 19 C 1S 0.00111 -0.00009 -0.00021 -0.00086 -0.00134 207 2S -0.00201 0.00037 0.00067 0.00189 0.00287 208 2PX -0.00766 0.00813 0.00540 0.00063 0.00356 209 2PY 0.00081 -0.00335 -0.00234 0.00436 0.00303 210 2PZ 0.00104 -0.00316 -0.00340 0.00645 0.00296 211 3S -0.00104 0.00023 -0.00072 0.00021 0.00143 212 3PX -0.00494 0.00551 0.00423 -0.00178 0.00104 213 3PY 0.00147 -0.00316 -0.00209 0.00295 0.00228 214 3PZ 0.00276 -0.00335 -0.00328 0.00325 0.00106 215 4XX -0.00027 0.00064 0.00024 -0.00005 0.00014 216 4YY 0.00026 -0.00037 0.00002 -0.00017 -0.00008 217 4ZZ 0.00002 -0.00022 -0.00035 0.00018 -0.00019 218 4XY 0.00003 0.00000 0.00006 0.00008 0.00013 219 4XZ -0.00027 0.00021 -0.00015 0.00025 -0.00003 220 4YZ -0.00007 -0.00014 -0.00015 0.00035 0.00006 221 20 C 1S 0.00105 -0.00488 0.00288 -0.00334 0.00413 222 2S -0.00345 0.00816 -0.00581 0.00604 -0.00729 223 2PX -0.00099 0.01051 0.00083 -0.00444 -0.00643 224 2PY 0.00944 -0.01021 -0.00067 -0.00595 -0.00365 225 2PZ -0.00180 0.00034 -0.01014 0.00762 -0.00949 226 3S -0.00252 0.00601 -0.00503 0.00393 -0.00556 227 3PX -0.00132 0.00749 0.00113 -0.00456 -0.00290 228 3PY 0.00601 -0.00612 -0.00245 -0.00281 -0.00397 229 3PZ 0.00009 -0.00259 -0.00653 0.00386 -0.00333 230 4XX 0.00013 -0.00031 -0.00012 0.00040 0.00055 231 4YY 0.00056 0.00006 0.00015 -0.00070 -0.00039 232 4ZZ -0.00048 0.00028 0.00001 0.00024 -0.00044 233 4XY 0.00004 -0.00026 0.00008 -0.00010 0.00004 234 4XZ -0.00044 0.00057 -0.00007 0.00064 0.00016 235 4YZ -0.00052 0.00005 0.00046 0.00007 0.00089 236 21 H 1S 0.00484 -0.00093 -0.00044 -0.00411 -0.00479 237 2S 0.00437 -0.00232 0.00083 -0.00401 -0.00204 238 22 H 1S 0.00040 -0.00063 -0.00050 -0.00126 -0.00095 239 2S 0.00035 0.00010 -0.00120 -0.00104 -0.00196 240 23 H 1S -0.00007 0.00002 0.00053 0.00051 0.00061 241 2S -0.00043 -0.00015 0.00103 0.00093 0.00152 242 24 H 1S -0.00057 0.00019 -0.00133 -0.00055 -0.00099 243 2S 0.00041 0.00002 -0.00131 -0.00118 -0.00188 244 25 H 1S -0.00022 0.00377 -0.00463 0.00000 -0.00517 245 2S -0.00231 0.00392 -0.00467 0.00094 -0.00330 246 26 O 1S 0.00007 -0.00058 0.00031 -0.00060 -0.00016 247 2S -0.00018 0.00090 -0.00056 0.00096 0.00020 248 2PX 0.00224 -0.00316 0.00248 -0.00099 0.00161 249 2PY -0.00056 0.00194 0.00095 0.00143 -0.00063 250 2PZ 0.00296 -0.00505 0.00370 -0.00419 0.00081 251 3S 0.00005 0.00120 -0.00205 0.00124 0.00072 252 3PX 0.00172 -0.00227 0.00263 -0.00039 0.00189 253 3PY -0.00095 0.00127 0.00098 0.00157 -0.00036 254 3PZ 0.00222 -0.00396 0.00346 -0.00236 0.00118 255 4XX -0.00012 0.00012 -0.00002 0.00001 -0.00006 256 4YY 0.00013 0.00000 0.00001 -0.00010 -0.00007 257 4ZZ -0.00011 -0.00007 0.00015 0.00011 0.00003 258 4XY 0.00003 -0.00020 -0.00002 -0.00016 -0.00007 259 4XZ -0.00017 0.00033 -0.00005 0.00045 0.00022 260 4YZ 0.00007 -0.00017 0.00009 -0.00011 0.00007 261 27 H 1S 0.00009 -0.00064 0.00035 -0.00120 -0.00064 262 2S -0.00048 -0.00077 0.00056 -0.00123 -0.00116 263 28 H 1S 0.00509 0.00070 0.00067 -0.00100 0.00367 264 2S 0.00461 0.00061 -0.00109 -0.00169 0.00207 161 162 163 164 165 161 16 C 1S 2.06008 162 2S -0.09478 0.29442 163 2PX 0.00060 -0.00317 0.34901 164 2PY 0.00078 -0.00145 0.03420 0.37629 165 2PZ -0.00012 -0.00534 0.04420 -0.02597 0.36420 166 3S -0.14357 0.21541 0.01103 -0.00294 0.01765 167 3PX -0.00689 0.01682 0.19482 -0.03687 -0.01092 168 3PY 0.00658 -0.02014 -0.03892 0.17626 0.00063 169 3PZ -0.01274 0.03425 -0.01385 -0.00498 0.21814 170 4XX -0.00314 -0.00128 -0.00982 -0.00484 -0.00043 171 4YY -0.00535 0.00372 0.00289 0.01537 -0.00226 172 4ZZ -0.00619 0.00435 0.01132 -0.01471 0.00996 173 4XY -0.00205 0.00551 -0.00317 0.00298 -0.01547 174 4XZ -0.00483 0.01038 -0.00594 -0.01248 0.00894 175 4YZ 0.00352 -0.00697 -0.01289 -0.00619 -0.01283 176 17 C 1S 0.01650 -0.03282 0.05447 0.03683 0.03815 177 2S -0.03269 0.05832 -0.10902 -0.07405 -0.07652 178 2PX -0.05478 0.11141 -0.06647 -0.16411 -0.17993 179 2PY -0.03717 0.07421 -0.16062 -0.02835 -0.03125 180 2PZ -0.03852 0.07803 -0.18331 -0.03605 -0.01338 181 3S -0.01038 0.04371 -0.07755 -0.06279 -0.04164 182 3PX -0.01302 0.03465 0.00962 -0.08514 -0.08980 183 3PY -0.01595 0.04305 -0.07612 -0.01838 0.02866 184 3PZ -0.00414 0.00818 -0.09897 0.01765 0.00401 185 4XX -0.00338 0.00553 0.00459 -0.00867 -0.00934 186 4YY 0.00050 -0.00233 -0.00170 0.01028 0.00016 187 4ZZ -0.00025 -0.00106 -0.00194 -0.00080 0.00981 188 4XY -0.00375 0.00693 -0.00632 0.00013 -0.00923 189 4XZ -0.00401 0.00700 -0.00638 -0.00779 0.00037 190 4YZ -0.00381 0.00766 -0.01244 -0.00105 -0.00156 191 18 C 1S -0.00328 0.00713 -0.00992 -0.00291 -0.00990 192 2S 0.00708 -0.01463 0.02333 0.00704 0.02327 193 2PX 0.00815 -0.01946 0.01376 0.01195 0.02199 194 2PY -0.00156 0.00460 -0.00095 -0.00033 -0.00986 195 2PZ 0.01117 -0.02690 0.03313 0.00669 0.02354 196 3S 0.00862 -0.02930 0.01666 0.00896 0.01424 197 3PX 0.00627 -0.01914 -0.00210 0.01799 0.01770 198 3PY 0.00024 -0.00336 0.00575 0.00083 -0.01593 199 3PZ 0.00761 -0.02026 0.02843 0.00023 0.00673 200 4XX -0.00082 0.00206 -0.00168 -0.00310 -0.00396 201 4YY 0.00108 -0.00191 0.00725 -0.00076 -0.00096 202 4ZZ -0.00008 0.00034 -0.00764 0.00322 0.00291 203 4XY -0.00026 0.00074 -0.00521 0.00206 0.00310 204 4XZ -0.00090 0.00204 -0.00076 -0.00416 -0.00623 205 4YZ -0.00134 0.00292 -0.00348 -0.00298 -0.00292 206 19 C 1S -0.00273 0.00485 -0.00317 0.00276 -0.00592 207 2S 0.00491 -0.01024 0.00574 -0.00513 0.01124 208 2PX 0.00244 -0.00517 -0.05803 0.01790 0.04751 209 2PY -0.00309 0.00594 0.01853 -0.03418 -0.03521 210 2PZ 0.00549 -0.00976 0.04767 -0.03534 -0.02162 211 3S 0.00601 -0.00113 0.01577 -0.01596 0.03101 212 3PX 0.00063 0.00129 -0.05516 0.02096 0.04759 213 3PY -0.00169 0.00047 0.02230 -0.03017 -0.03302 214 3PZ 0.00200 0.00252 0.04732 -0.03407 -0.02256 215 4XX -0.00017 0.00022 -0.00099 -0.00055 0.00008 216 4YY -0.00020 0.00045 0.00060 0.00129 0.00030 217 4ZZ 0.00013 -0.00060 0.00035 -0.00074 -0.00029 218 4XY -0.00018 0.00066 0.00020 -0.00029 -0.00029 219 4XZ 0.00017 -0.00035 -0.00093 -0.00104 0.00026 220 4YZ -0.00019 0.00046 -0.00092 -0.00119 -0.00048 221 20 C 1S -0.00339 0.00747 0.00146 0.01140 -0.00739 222 2S 0.00743 -0.01567 -0.00368 -0.02713 0.01749 223 2PX 0.00262 -0.00667 -0.00543 -0.00288 0.01170 224 2PY -0.00911 0.02122 0.00907 0.02326 -0.01669 225 2PZ 0.01069 -0.02518 0.00108 -0.03246 0.01477 226 3S 0.00721 -0.02564 -0.00669 -0.01543 0.00725 227 3PX -0.00031 0.00253 -0.01139 0.00403 0.02048 228 3PY -0.00718 0.02227 0.01445 0.00817 -0.01034 229 3PZ 0.00554 -0.01447 0.01041 -0.02555 0.00367 230 4XX 0.00072 -0.00122 0.00496 -0.00641 -0.00330 231 4YY -0.00105 0.00261 0.00228 0.00536 -0.00309 232 4ZZ 0.00045 -0.00086 -0.00700 0.00365 0.00490 233 4XY 0.00005 0.00009 -0.00266 0.00137 0.00252 234 4XZ 0.00106 -0.00221 0.00047 -0.00511 -0.00017 235 4YZ 0.00097 -0.00203 -0.00352 -0.00402 0.00472 236 21 H 1S -0.00623 0.01419 0.00654 0.02358 -0.01011 237 2S -0.00666 0.01316 0.01010 0.03774 -0.01890 238 22 H 1S -0.00096 0.00099 -0.00125 0.00113 -0.00225 239 2S -0.00036 0.00115 0.00054 -0.00086 0.00142 240 23 H 1S -0.00658 0.01540 -0.01967 -0.01191 -0.01485 241 2S -0.00730 0.01540 -0.03154 -0.01567 -0.02680 242 24 H 1S 0.01142 -0.02541 0.02673 0.02988 0.00924 243 2S 0.01030 -0.01950 0.04339 0.04608 0.01659 244 25 H 1S -0.05751 0.10853 0.10302 -0.10512 0.20640 245 2S -0.01043 0.02163 0.06966 -0.06986 0.14465 246 26 O 1S -0.00123 0.00264 0.00253 0.00234 0.00280 247 2S 0.00253 -0.00561 -0.00600 -0.00294 -0.00642 248 2PX -0.00649 0.01320 0.00888 0.00762 0.01812 249 2PY -0.00484 0.00865 0.01299 -0.01099 0.02417 250 2PZ -0.00496 0.00972 0.01021 0.01210 0.00149 251 3S 0.00495 -0.00956 -0.00985 -0.01988 -0.01257 252 3PX -0.00537 0.01045 0.00557 0.00685 0.01689 253 3PY -0.00279 0.00517 0.00869 -0.01341 0.02226 254 3PZ -0.00427 0.00785 0.01216 0.00928 -0.00197 255 4XX 0.00041 -0.00087 -0.00106 0.00050 -0.00075 256 4YY -0.00060 0.00106 0.00147 0.00082 0.00091 257 4ZZ 0.00033 -0.00065 -0.00113 0.00030 -0.00057 258 4XY -0.00014 0.00036 -0.00002 0.00101 0.00053 259 4XZ 0.00039 -0.00075 -0.00049 -0.00146 0.00040 260 4YZ -0.00013 0.00014 0.00070 -0.00024 -0.00022 261 27 H 1S 0.00063 -0.00175 -0.00175 0.00298 -0.00476 262 2S -0.00084 0.00186 -0.00812 0.00948 0.00962 263 28 H 1S -0.00245 0.00683 0.02000 0.00209 -0.01752 264 2S -0.00345 0.00802 0.03437 0.00477 -0.02611 166 167 168 169 170 166 3S 0.17454 167 3PX 0.01152 0.13017 168 3PY -0.01953 -0.04854 0.10467 169 3PZ 0.03131 -0.02688 0.00796 0.14869 170 4XX -0.00066 -0.00497 -0.00037 0.00009 0.00091 171 4YY 0.00291 -0.00071 0.00668 -0.00144 -0.00069 172 4ZZ 0.00376 0.00854 -0.00880 0.00577 -0.00028 173 4XY 0.00392 -0.00104 0.00127 -0.00942 0.00027 174 4XZ 0.00764 -0.00146 -0.00531 0.00742 0.00014 175 4YZ -0.00611 -0.00584 -0.00099 -0.00783 0.00019 176 17 C 1S -0.00841 0.01399 0.00330 0.01460 -0.00336 177 2S 0.04189 -0.03641 -0.00621 -0.04022 0.00538 178 2PX 0.06689 0.00749 -0.09389 -0.08980 -0.00424 179 2PY 0.04357 -0.07441 -0.01325 0.02812 0.00874 180 2PZ 0.05830 -0.10257 0.01149 0.00359 0.00903 181 3S 0.02339 -0.01893 -0.00207 -0.01803 0.00391 182 3PX 0.01344 0.03125 -0.05363 -0.04945 -0.00523 183 3PY 0.02517 -0.03714 -0.01004 0.04557 0.00529 184 3PZ 0.00568 -0.06200 0.03160 0.00610 0.00657 185 4XX 0.00377 0.00560 -0.00657 -0.00597 0.00008 186 4YY -0.00134 -0.00273 0.00727 -0.00152 0.00017 187 4ZZ -0.00085 -0.00228 0.00044 0.00741 -0.00026 188 4XY 0.00466 -0.00278 0.00138 -0.00485 -0.00013 189 4XZ 0.00479 -0.00154 -0.00364 0.00206 0.00045 190 4YZ 0.00527 -0.00692 -0.00025 0.00205 0.00018 191 18 C 1S 0.00803 -0.00648 -0.00072 -0.00753 0.00004 192 2S -0.02853 0.01759 -0.00122 0.02298 0.00011 193 2PX -0.01461 -0.00059 0.01806 0.02044 -0.00591 194 2PY -0.00240 0.00572 -0.00043 -0.01494 0.00418 195 2PZ -0.00874 0.02829 0.00219 0.00522 0.00667 196 3S -0.03101 0.00815 0.00290 0.00811 0.00028 197 3PX -0.00943 -0.01331 0.02058 0.01190 -0.00501 198 3PY -0.00032 0.00705 0.00034 -0.02031 0.00364 199 3PZ -0.00542 0.02115 -0.00171 -0.00825 0.00482 200 4XX 0.00079 -0.00058 -0.00197 -0.00131 -0.00030 201 4YY -0.00178 0.00474 -0.00164 -0.00257 -0.00026 202 4ZZ 0.00083 -0.00509 0.00334 0.00295 0.00060 203 4XY -0.00058 -0.00415 0.00153 0.00324 0.00019 204 4XZ 0.00051 0.00156 -0.00315 -0.00303 -0.00004 205 4YZ 0.00143 -0.00102 -0.00260 -0.00102 0.00013 206 19 C 1S 0.00649 -0.00149 0.00149 -0.00275 -0.00012 207 2S -0.00445 -0.00065 -0.00086 -0.00019 0.00015 208 2PX -0.00835 -0.05440 0.02533 0.04950 0.00054 209 2PY 0.02127 0.02327 -0.03006 -0.03481 0.00078 210 2PZ -0.02944 0.04827 -0.03791 -0.02189 0.00017 211 3S 0.00161 0.00794 -0.00920 0.01539 -0.00039 212 3PX -0.00296 -0.04926 0.02470 0.04753 0.00051 213 3PY 0.00869 0.02338 -0.02625 -0.03286 0.00017 214 3PZ -0.01204 0.04631 -0.03545 -0.01934 -0.00029 215 4XX 0.00031 -0.00095 0.00007 0.00044 0.00044 216 4YY -0.00083 0.00032 0.00068 0.00092 -0.00041 217 4ZZ 0.00095 0.00068 -0.00069 -0.00119 -0.00005 218 4XY -0.00078 0.00077 -0.00073 -0.00002 0.00023 219 4XZ 0.00052 -0.00096 -0.00028 0.00020 -0.00023 220 4YZ -0.00068 -0.00025 -0.00111 0.00005 -0.00034 221 20 C 1S 0.00655 -0.00197 0.00412 -0.00679 0.00059 222 2S -0.02529 0.00614 -0.01360 0.02039 -0.00094 223 2PX -0.00185 -0.00962 0.01195 0.01617 0.00428 224 2PY 0.01044 0.01893 0.01062 -0.00722 -0.00185 225 2PZ -0.02157 0.00829 -0.02336 0.00114 -0.00621 226 3S -0.03172 0.00288 -0.00101 0.00756 -0.00067 227 3PX 0.00038 -0.01072 0.01258 0.02295 0.00387 228 3PY 0.00642 0.02271 -0.00154 0.00228 -0.00259 229 3PZ -0.01351 0.01342 -0.01873 -0.00629 -0.00476 230 4XX -0.00031 0.00438 -0.00463 -0.00404 0.00022 231 4YY 0.00044 0.00179 0.00294 -0.00022 0.00007 232 4ZZ -0.00014 -0.00595 0.00308 0.00373 -0.00030 233 4XY -0.00096 -0.00133 0.00128 0.00233 -0.00003 234 4XZ -0.00083 0.00012 -0.00269 -0.00106 0.00011 235 4YZ -0.00067 -0.00313 -0.00089 0.00252 0.00019 236 21 H 1S 0.00068 0.01190 0.01440 0.00426 0.00033 237 2S 0.00478 0.00738 0.01906 -0.00817 -0.00012 238 22 H 1S 0.01924 -0.00418 0.00415 -0.00807 -0.00005 239 2S 0.01226 -0.00019 0.00124 -0.00068 -0.00018 240 23 H 1S 0.00107 -0.00852 -0.01296 -0.00054 -0.00033 241 2S 0.00667 -0.01544 -0.01080 -0.01103 0.00022 242 24 H 1S -0.01150 0.00620 0.03429 -0.01954 -0.00044 243 2S -0.01112 0.01401 0.02966 -0.00666 -0.00162 244 25 H 1S 0.09342 0.06285 -0.06394 0.12703 -0.00206 245 2S 0.02195 0.04189 -0.03329 0.08213 -0.00120 246 26 O 1S 0.00057 0.00268 -0.00350 0.00780 -0.00021 247 2S -0.00061 -0.00626 0.00843 -0.01636 0.00045 248 2PX 0.03931 -0.00718 -0.00372 -0.00998 -0.00049 249 2PY 0.05548 -0.02993 -0.07532 0.02503 -0.00122 250 2PZ 0.04206 -0.00779 0.00055 -0.00838 -0.00081 251 3S -0.00818 -0.00321 0.00581 -0.02724 0.00033 252 3PX 0.03170 -0.00832 -0.00318 -0.00586 -0.00030 253 3PY 0.04421 -0.02581 -0.06043 0.01900 -0.00085 254 3PZ 0.03371 -0.00436 -0.00277 -0.00926 -0.00032 255 4XX -0.00200 -0.00021 0.00136 0.00053 0.00005 256 4YY 0.00244 -0.00005 -0.00152 0.00071 -0.00007 257 4ZZ -0.00005 -0.00106 0.00057 -0.00067 0.00007 258 4XY -0.00099 0.00118 0.00334 -0.00041 0.00001 259 4XZ -0.00241 0.00018 -0.00101 0.00039 0.00009 260 4YZ 0.00095 0.00029 0.00020 -0.00080 0.00001 261 27 H 1S 0.00271 -0.00322 0.00354 0.00002 -0.00014 262 2S 0.00454 -0.00786 0.00690 0.01067 -0.00030 263 28 H 1S -0.00760 0.02638 0.00587 -0.01041 -0.00008 264 2S -0.00598 0.03344 0.00346 -0.01911 -0.00003 171 172 173 174 175 171 4YY 0.00128 172 4ZZ -0.00062 0.00153 173 4XY 0.00023 -0.00069 0.00113 174 4XZ -0.00042 0.00080 -0.00038 0.00129 175 4YZ -0.00008 -0.00063 0.00045 -0.00003 0.00156 176 17 C 1S 0.00025 0.00000 -0.00389 -0.00372 -0.00373 177 2S -0.00207 -0.00117 0.00697 0.00672 0.00754 178 2PX 0.00027 0.00313 0.00613 0.00607 0.01180 179 2PY -0.01022 0.00082 -0.00080 0.00869 0.00126 180 2PZ -0.00006 -0.01000 0.00785 -0.00013 0.00158 181 3S -0.00201 -0.00011 0.00425 0.00552 0.00529 182 3PX 0.00121 0.00351 0.00121 0.00274 0.00657 183 3PY -0.00683 0.00168 -0.00236 0.00495 -0.00222 184 3PZ -0.00086 -0.00685 0.00394 -0.00182 -0.00015 185 4XX -0.00036 0.00034 0.00039 0.00004 0.00000 186 4YY 0.00069 -0.00093 0.00049 -0.00063 -0.00008 187 4ZZ -0.00006 0.00049 -0.00067 0.00057 0.00002 188 4XY 0.00056 -0.00048 0.00073 -0.00003 0.00052 189 4XZ -0.00059 0.00036 -0.00001 0.00076 0.00002 190 4YZ -0.00003 -0.00027 0.00007 0.00036 0.00020 191 18 C 1S 0.00122 -0.00107 0.00112 -0.00081 0.00026 192 2S -0.00228 0.00262 -0.00241 0.00182 -0.00070 193 2PX 0.00247 0.00485 -0.00337 0.00440 0.00422 194 2PY -0.00112 -0.00342 0.00306 -0.00257 -0.00217 195 2PZ -0.00774 0.00365 -0.00199 0.00324 -0.00421 196 3S -0.00126 0.00082 -0.00130 0.00017 0.00025 197 3PX 0.00386 0.00167 -0.00202 0.00204 0.00378 198 3PY -0.00140 -0.00228 0.00274 -0.00200 -0.00145 199 3PZ -0.00463 0.00100 0.00009 -0.00010 -0.00345 200 4XX 0.00011 0.00008 0.00009 0.00004 0.00033 201 4YY 0.00029 -0.00001 0.00004 -0.00028 -0.00006 202 4ZZ -0.00037 -0.00020 0.00000 0.00020 -0.00014 203 4XY 0.00002 -0.00034 0.00006 -0.00018 -0.00014 204 4XZ -0.00017 0.00018 0.00006 0.00025 0.00032 205 4YZ -0.00008 -0.00019 0.00011 -0.00004 0.00005 206 19 C 1S -0.00022 0.00011 -0.00016 0.00018 -0.00014 207 2S 0.00045 -0.00053 0.00057 -0.00036 0.00037 208 2PX -0.00053 -0.00032 -0.00017 0.00084 0.00093 209 2PY -0.00126 0.00078 0.00027 0.00108 0.00096 210 2PZ -0.00023 0.00019 0.00037 -0.00029 0.00032 211 3S -0.00036 0.00113 -0.00106 0.00068 -0.00057 212 3PX -0.00030 -0.00059 -0.00074 0.00099 0.00046 213 3PY -0.00074 0.00087 0.00038 0.00056 0.00077 214 3PZ -0.00066 0.00093 0.00016 -0.00012 0.00012 215 4XX -0.00039 -0.00006 0.00023 -0.00023 -0.00034 216 4YY 0.00032 0.00002 -0.00010 0.00013 0.00038 217 4ZZ 0.00002 0.00012 -0.00022 0.00015 -0.00010 218 4XY -0.00010 -0.00022 0.00018 -0.00014 -0.00005 219 4XZ 0.00013 0.00014 -0.00014 0.00008 0.00003 220 4YZ 0.00037 -0.00010 -0.00005 0.00002 0.00029 221 20 C 1S 0.00029 -0.00076 0.00114 -0.00003 0.00109 222 2S -0.00053 0.00199 -0.00240 0.00029 -0.00229 223 2PX -0.00564 0.00197 0.00102 -0.00236 -0.00597 224 2PY 0.00251 -0.00253 0.00035 0.00158 0.00611 225 2PZ 0.00458 0.00377 -0.00672 0.00236 -0.00226 226 3S 0.00012 0.00039 -0.00144 -0.00069 -0.00083 227 3PX -0.00466 0.00099 0.00063 -0.00119 -0.00431 228 3PY 0.00202 -0.00032 -0.00084 0.00168 0.00326 229 3PZ 0.00335 0.00234 -0.00408 0.00206 0.00070 230 4XX -0.00033 0.00016 0.00017 -0.00004 0.00005 231 4YY -0.00005 -0.00019 0.00032 -0.00026 -0.00002 232 4ZZ 0.00048 -0.00012 -0.00037 0.00020 0.00001 233 4XY 0.00014 -0.00022 -0.00006 0.00016 0.00037 234 4XZ -0.00023 0.00023 0.00001 -0.00002 -0.00017 235 4YZ -0.00023 0.00005 -0.00004 0.00022 0.00031 236 21 H 1S -0.00014 -0.00151 0.00113 -0.00048 0.00148 237 2S 0.00106 -0.00206 0.00164 -0.00116 0.00112 238 22 H 1S -0.00021 0.00068 -0.00046 0.00045 -0.00049 239 2S -0.00071 0.00141 -0.00120 0.00083 -0.00096 240 23 H 1S 0.00042 -0.00145 0.00067 -0.00111 0.00051 241 2S 0.00054 -0.00201 0.00162 -0.00094 0.00141 242 24 H 1S 0.00572 -0.00444 0.00414 -0.00436 0.00026 243 2S 0.00499 -0.00316 0.00197 -0.00451 -0.00162 244 25 H 1S -0.00348 0.01446 -0.00829 0.01080 -0.01157 245 2S -0.00317 0.00967 -0.00715 0.00593 -0.00735 246 26 O 1S 0.00006 -0.00006 -0.00005 -0.00008 -0.00008 247 2S -0.00014 -0.00004 0.00009 0.00005 0.00012 248 2PX 0.00145 -0.00099 -0.00014 -0.00081 -0.00174 249 2PY -0.00020 0.00053 -0.00081 -0.00017 -0.00075 250 2PZ 0.00095 -0.00087 0.00074 -0.00119 -0.00004 251 3S -0.00041 0.00026 -0.00012 0.00031 0.00041 252 3PX 0.00126 -0.00093 0.00008 -0.00050 -0.00104 253 3PY -0.00015 0.00037 -0.00050 0.00009 -0.00025 254 3PZ 0.00067 -0.00085 0.00107 -0.00112 0.00004 255 4XX -0.00004 0.00000 0.00004 0.00004 0.00014 256 4YY 0.00002 0.00004 -0.00007 -0.00005 -0.00018 257 4ZZ 0.00000 -0.00008 0.00006 -0.00002 0.00010 258 4XY 0.00006 0.00000 -0.00002 0.00002 -0.00007 259 4XZ -0.00005 0.00000 0.00002 0.00008 0.00008 260 4YZ 0.00000 -0.00002 0.00007 -0.00004 0.00001 261 27 H 1S -0.00011 0.00006 0.00018 -0.00007 0.00060 262 2S 0.00041 -0.00015 -0.00045 0.00028 0.00013 263 28 H 1S -0.00048 0.00077 -0.00019 -0.00075 -0.00113 264 2S -0.00069 0.00080 0.00047 -0.00142 -0.00185 176 177 178 179 180 176 17 C 1S 2.05997 177 2S -0.09564 0.29710 178 2PX 0.00013 0.00129 0.34467 179 2PY -0.00063 0.00525 0.03475 0.37548 180 2PZ 0.00061 -0.00302 0.04792 -0.02915 0.36582 181 3S -0.14328 0.21780 -0.00421 -0.00968 0.00235 182 3PX 0.00451 -0.01266 0.18517 -0.00888 -0.03958 183 3PY 0.01259 -0.03551 -0.00618 0.20934 0.00236 184 3PZ -0.00453 0.01222 -0.04254 0.00020 0.17340 185 4XX -0.00292 -0.00182 0.00968 0.00339 0.00238 186 4YY -0.00766 0.00732 -0.01113 -0.01722 0.01283 187 4ZZ -0.00426 0.00138 -0.00141 0.00498 -0.01198 188 4XY -0.00386 0.00821 0.01009 -0.00964 0.01053 189 4XZ -0.00310 0.00773 0.00164 0.01386 -0.00111 190 4YZ 0.00341 -0.00714 0.01075 0.01201 0.01079 191 18 C 1S 0.01655 -0.03272 0.03113 -0.03077 0.06255 192 2S -0.03274 0.05809 -0.06253 0.06141 -0.12581 193 2PX -0.03069 0.06142 0.04635 -0.00526 -0.17231 194 2PY 0.03156 -0.06432 -0.00010 -0.00634 0.15332 195 2PZ -0.06267 0.12603 -0.17660 0.14657 -0.14427 196 3S -0.00947 0.04165 -0.05371 0.02946 -0.08774 197 3PX -0.01230 0.03390 0.04079 -0.04483 -0.09051 198 3PY 0.00136 -0.00145 -0.03132 -0.00643 0.07799 199 3PZ -0.01622 0.04271 -0.10247 0.06197 -0.02985 200 4XX 0.00073 -0.00236 0.01002 -0.00101 -0.00059 201 4YY 0.00106 -0.00364 0.00122 -0.00981 0.00258 202 4ZZ -0.00479 0.00801 -0.01045 0.01036 -0.00079 203 4XY 0.00290 -0.00605 -0.00047 0.00024 0.01016 204 4XZ -0.00331 0.00600 0.00401 0.00641 -0.00818 205 4YZ 0.00395 -0.00712 0.00601 0.00347 0.00906 206 19 C 1S -0.00341 0.00736 -0.00237 0.00935 -0.01020 207 2S 0.00740 -0.01535 0.00598 -0.02191 0.02475 208 2PX -0.00091 0.00269 -0.00318 0.00787 -0.00016 209 2PY -0.01158 0.02801 -0.00585 0.02478 -0.03300 210 2PZ 0.00806 -0.01869 0.01057 -0.01627 0.01755 211 3S 0.00861 -0.02906 0.00685 -0.01451 0.01408 212 3PX 0.00025 -0.00330 -0.00592 0.01577 0.00738 213 3PY -0.00745 0.01904 0.00596 0.01184 -0.02414 214 3PZ 0.00626 -0.01906 0.01774 -0.00897 0.00376 215 4XX 0.00066 -0.00113 -0.00430 0.00200 0.00643 216 4YY 0.00036 -0.00058 0.00580 -0.00252 -0.00492 217 4ZZ -0.00086 0.00223 -0.00208 0.00241 -0.00373 218 4XY 0.00127 -0.00272 -0.00102 -0.00007 0.00669 219 4XZ -0.00001 0.00023 0.00254 -0.00171 -0.00235 220 4YZ 0.00121 -0.00263 0.00621 -0.00608 0.00237 221 20 C 1S -0.00272 0.00492 0.00185 0.00601 -0.00245 222 2S 0.00484 -0.01027 -0.00371 -0.01107 0.00448 223 2PX -0.00246 0.00430 -0.06190 0.03859 0.02914 224 2PY -0.00642 0.01213 0.03834 -0.00576 -0.03307 225 2PZ 0.00201 -0.00395 0.02904 -0.03354 -0.04765 226 3S 0.00674 -0.00519 -0.00533 -0.03300 0.01743 227 3PX -0.00142 -0.00056 -0.05388 0.03760 0.03287 228 3PY -0.00328 0.00019 0.04017 -0.00586 -0.03280 229 3PZ 0.00074 -0.00036 0.03782 -0.03450 -0.04311 230 4XX -0.00016 0.00027 0.00049 0.00010 0.00056 231 4YY 0.00016 -0.00066 -0.00049 0.00005 0.00083 232 4ZZ -0.00023 0.00045 -0.00017 -0.00022 -0.00123 233 4XY 0.00015 -0.00030 0.00130 -0.00041 0.00092 234 4XZ -0.00013 0.00052 -0.00030 0.00024 0.00027 235 4YZ -0.00011 0.00029 0.00086 0.00036 0.00123 236 21 H 1S -0.00128 0.00161 0.00105 0.00289 0.00012 237 2S -0.00021 0.00093 -0.00077 -0.00406 -0.00019 238 22 H 1S -0.00668 0.01548 -0.01000 0.01251 -0.02210 239 2S -0.00750 0.01572 -0.01353 0.02380 -0.03524 240 23 H 1S 0.01128 -0.02503 0.02487 -0.00355 0.03336 241 2S 0.01021 -0.01918 0.03885 -0.00686 0.05365 242 24 H 1S -0.05766 0.10946 -0.07841 -0.22740 0.08122 243 2S -0.01098 0.02392 -0.05596 -0.16424 0.05896 244 25 H 1S 0.01108 -0.02481 -0.02785 -0.00714 -0.02992 245 2S 0.00974 -0.01894 -0.04733 -0.01194 -0.04468 246 26 O 1S 0.00041 -0.00079 -0.00136 -0.00075 -0.00103 247 2S -0.00105 0.00187 0.00158 0.00203 0.00241 248 2PX 0.00153 -0.00310 -0.00710 -0.00135 -0.00178 249 2PY 0.00181 -0.00074 -0.00378 -0.00255 -0.00594 250 2PZ 0.00104 -0.00106 -0.00112 -0.00329 -0.00222 251 3S -0.00158 0.00290 0.01386 0.00235 0.00460 252 3PX 0.00088 -0.00182 -0.00613 -0.00014 -0.00099 253 3PY 0.00100 0.00025 -0.00048 -0.00167 -0.00485 254 3PZ 0.00054 -0.00015 -0.00167 -0.00222 -0.00195 255 4XX -0.00017 0.00027 -0.00012 0.00030 0.00025 256 4YY 0.00013 -0.00034 -0.00116 -0.00022 -0.00051 257 4ZZ -0.00019 0.00032 0.00025 0.00019 0.00034 258 4XY 0.00009 -0.00027 -0.00041 -0.00010 -0.00020 259 4XZ -0.00009 0.00019 0.00017 0.00037 0.00031 260 4YZ -0.00001 0.00003 0.00005 0.00004 -0.00003 261 27 H 1S -0.00019 0.00076 0.00184 -0.00077 -0.00024 262 2S 0.00043 -0.00075 -0.00263 0.00008 -0.00025 263 28 H 1S 0.00130 -0.00354 -0.00620 -0.00108 0.00017 264 2S 0.00189 -0.00478 -0.00990 -0.00452 -0.00136 181 182 183 184 185 181 3S 0.17434 182 3PX -0.00803 0.11910 183 3PY -0.02756 -0.01936 0.13280 184 3PZ 0.01157 -0.05758 0.01088 0.10139 185 4XX -0.00134 0.00484 0.00211 -0.00078 0.00099 186 4YY 0.00602 -0.00779 -0.01032 0.00840 -0.00056 187 4ZZ 0.00132 0.00130 0.00296 -0.00569 -0.00056 188 4XY 0.00635 0.00406 -0.00708 0.00335 0.00004 189 4XZ 0.00571 0.00003 0.00792 -0.00027 0.00032 190 4YZ -0.00545 0.00353 0.00795 0.00332 0.00030 191 18 C 1S -0.00990 0.00283 -0.01421 0.01467 0.00053 192 2S 0.04364 -0.00531 0.03939 -0.03791 -0.00220 193 2PX 0.03698 0.04371 -0.04338 -0.09042 -0.00913 194 2PY -0.05581 -0.03193 -0.00710 0.07958 0.00041 195 2PZ 0.08604 -0.09975 0.06392 -0.02934 -0.00058 196 3S 0.02827 -0.00743 0.01945 -0.02298 -0.00185 197 3PX 0.01912 0.03431 -0.05190 -0.05353 -0.00678 198 3PY -0.00595 -0.03744 -0.00795 0.04676 0.00083 199 3PZ 0.02532 -0.06619 0.02856 0.00896 0.00107 200 4XX -0.00139 0.00654 0.00010 -0.00221 0.00025 201 4YY -0.00302 0.00168 -0.00583 0.00043 0.00013 202 4ZZ 0.00592 -0.00729 0.00599 0.00259 -0.00026 203 4XY -0.00429 -0.00111 0.00281 0.00572 -0.00006 204 4XZ 0.00461 0.00422 0.00340 -0.00438 0.00045 205 4YZ -0.00478 0.00270 0.00409 0.00298 0.00063 206 19 C 1S 0.00920 -0.00062 0.00725 -0.00647 0.00081 207 2S -0.03007 -0.00079 -0.02171 0.01641 -0.00149 208 2PX 0.00219 -0.00651 0.01396 0.00978 -0.00484 209 2PY 0.01687 0.00172 0.01043 -0.02417 0.00665 210 2PZ -0.01328 0.01778 -0.00919 0.00586 0.00345 211 3S -0.03014 0.00333 -0.00848 0.00567 -0.00065 212 3PX 0.00076 -0.00788 0.01942 0.01106 -0.00441 213 3PY 0.00766 0.00731 -0.00051 -0.01771 0.00423 214 3PZ -0.00787 0.02149 -0.00018 -0.00537 0.00414 215 4XX -0.00066 -0.00427 0.00292 0.00466 0.00019 216 4YY 0.00001 0.00510 -0.00215 -0.00348 -0.00033 217 4ZZ 0.00066 -0.00102 0.00009 -0.00209 0.00015 218 4XY -0.00160 -0.00089 0.00130 0.00384 0.00020 219 4XZ -0.00080 0.00166 -0.00164 -0.00189 -0.00004 220 4YZ -0.00103 0.00472 -0.00277 -0.00082 0.00011 221 20 C 1S 0.00498 -0.00037 0.00232 -0.00196 -0.00020 222 2S 0.00032 0.00259 0.00218 0.00126 0.00030 223 2PX 0.01290 -0.05779 0.03808 0.03504 -0.00095 224 2PY 0.03632 0.03887 -0.00697 -0.03236 0.00003 225 2PZ -0.01038 0.03360 -0.03268 -0.04380 -0.00042 226 3S 0.00685 0.00035 -0.01349 0.00886 -0.00029 227 3PX 0.00814 -0.04855 0.03658 0.03402 -0.00089 228 3PY 0.01976 0.03931 -0.00392 -0.03143 0.00046 229 3PZ -0.00382 0.03730 -0.03206 -0.03938 -0.00001 230 4XX -0.00065 0.00032 -0.00033 0.00010 0.00054 231 4YY 0.00170 -0.00051 0.00091 0.00110 -0.00007 232 4ZZ -0.00045 0.00009 -0.00076 -0.00094 -0.00051 233 4XY 0.00074 0.00142 -0.00024 0.00020 -0.00025 234 4XZ -0.00110 -0.00078 -0.00009 0.00051 0.00016 235 4YZ -0.00077 0.00008 0.00022 0.00095 -0.00023 236 21 H 1S 0.02368 0.00422 0.00822 -0.00056 -0.00018 237 2S 0.01190 0.00045 -0.00222 0.00026 -0.00046 238 22 H 1S 0.00142 -0.01015 -0.00181 -0.01104 0.00032 239 2S 0.00806 -0.00810 0.00902 -0.01704 0.00038 240 23 H 1S -0.01085 0.02573 0.02438 0.01255 0.00385 241 2S -0.01094 0.02253 0.01149 0.01918 0.00338 242 24 H 1S 0.09005 -0.04548 -0.13529 0.04992 -0.00436 243 2S 0.02473 -0.02995 -0.09073 0.03367 -0.00291 244 25 H 1S -0.00737 -0.00883 0.02416 -0.03119 0.00071 245 2S -0.00458 -0.01532 0.01057 -0.02381 -0.00089 246 26 O 1S 0.00178 -0.00048 0.00152 -0.00211 -0.00002 247 2S -0.00401 0.00003 -0.00305 0.00489 0.00000 248 2PX -0.02228 -0.00977 -0.00326 0.00196 -0.00050 249 2PY -0.04648 -0.02446 -0.00038 -0.03351 -0.00006 250 2PZ -0.02047 -0.00515 -0.00890 -0.00352 0.00005 251 3S 0.00006 0.00819 -0.00370 0.00697 0.00052 252 3PX -0.01789 -0.00836 -0.00233 0.00156 -0.00054 253 3PY -0.03686 -0.01752 -0.00113 -0.02655 -0.00013 254 3PZ -0.01715 -0.00511 -0.00679 -0.00273 0.00027 255 4XX 0.00121 0.00032 0.00009 0.00029 -0.00002 256 4YY -0.00161 -0.00127 0.00005 -0.00080 0.00000 257 4ZZ -0.00031 0.00002 -0.00025 0.00029 -0.00004 258 4XY 0.00138 0.00072 -0.00005 0.00119 -0.00005 259 4XZ 0.00096 0.00019 0.00065 0.00028 0.00001 260 4YZ -0.00023 0.00005 -0.00019 0.00023 0.00004 261 27 H 1S -0.00118 0.00117 -0.00298 -0.00214 0.00002 262 2S -0.00099 -0.00113 -0.00047 -0.00139 -0.00084 263 28 H 1S 0.00645 -0.00166 0.00268 0.00662 0.00147 264 2S 0.00524 -0.00406 0.00079 0.00598 0.00213 186 187 188 189 190 186 4YY 0.00208 187 4ZZ -0.00071 0.00117 188 4XY 0.00078 -0.00035 0.00126 189 4XZ -0.00069 0.00027 -0.00025 0.00099 190 4YZ -0.00075 -0.00001 0.00018 0.00033 0.00148 191 18 C 1S 0.00129 -0.00483 0.00285 -0.00355 0.00366 192 2S -0.00381 0.00801 -0.00595 0.00615 -0.00684 193 2PX -0.00179 0.01053 0.00101 -0.00442 -0.00723 194 2PY 0.01026 -0.00991 -0.00059 -0.00560 -0.00316 195 2PZ -0.00132 0.00056 -0.01065 0.00803 -0.00895 196 3S -0.00206 0.00555 -0.00424 0.00391 -0.00536 197 3PX 0.00041 0.00660 0.00296 -0.00464 -0.00351 198 3PY 0.00687 -0.00668 -0.00043 -0.00206 -0.00315 199 3PZ 0.00148 -0.00329 -0.00568 0.00292 -0.00467 200 4XX -0.00064 0.00030 0.00036 0.00009 0.00057 201 4YY 0.00059 -0.00048 0.00005 -0.00045 -0.00053 202 4ZZ 0.00000 0.00025 -0.00029 0.00059 0.00006 203 4XY 0.00009 0.00005 0.00009 0.00001 0.00048 204 4XZ -0.00079 0.00031 -0.00013 0.00076 0.00012 205 4YZ -0.00044 -0.00039 0.00003 0.00027 0.00090 206 19 C 1S -0.00113 0.00048 0.00007 0.00117 0.00107 207 2S 0.00285 -0.00084 0.00006 -0.00247 -0.00231 208 2PX -0.00246 0.00709 0.00276 -0.00043 0.00380 209 2PY -0.00533 -0.00380 -0.00147 0.00515 0.00417 210 2PZ 0.00304 -0.00491 -0.00261 0.00030 -0.00472 211 3S 0.00066 -0.00006 -0.00080 -0.00150 -0.00094 212 3PX -0.00168 0.00605 0.00168 -0.00015 0.00315 213 3PY -0.00240 -0.00290 -0.00132 0.00269 0.00051 214 3PZ 0.00026 -0.00369 -0.00208 0.00112 -0.00228 215 4XX 0.00003 -0.00024 -0.00001 0.00012 0.00023 216 4YY -0.00006 0.00049 0.00013 -0.00022 -0.00021 217 4ZZ -0.00015 -0.00015 -0.00022 0.00021 0.00003 218 4XY 0.00027 -0.00034 -0.00008 0.00005 -0.00002 219 4XZ -0.00025 0.00020 0.00018 -0.00003 0.00023 220 4YZ -0.00005 0.00001 0.00036 -0.00011 0.00034 221 20 C 1S 0.00019 -0.00022 0.00012 -0.00014 -0.00016 222 2S -0.00072 0.00047 -0.00028 0.00058 0.00036 223 2PX 0.00039 0.00047 -0.00113 0.00017 -0.00090 224 2PY 0.00004 0.00006 0.00030 -0.00016 -0.00046 225 2PZ -0.00056 0.00091 -0.00093 -0.00023 -0.00140 226 3S 0.00144 -0.00065 0.00091 -0.00093 -0.00023 227 3PX 0.00057 0.00034 -0.00100 0.00059 -0.00004 228 3PY -0.00088 0.00063 0.00023 0.00017 -0.00024 229 3PZ -0.00068 0.00067 -0.00001 -0.00057 -0.00112 230 4XX -0.00005 -0.00052 -0.00026 0.00016 -0.00024 231 4YY 0.00022 -0.00005 0.00015 -0.00019 -0.00014 232 4ZZ -0.00006 0.00052 0.00016 -0.00005 0.00034 233 4XY 0.00015 0.00015 0.00004 -0.00008 0.00001 234 4XZ -0.00019 -0.00005 -0.00008 0.00010 0.00000 235 4YZ -0.00014 0.00033 0.00001 -0.00001 0.00011 236 21 H 1S 0.00080 -0.00023 0.00037 -0.00033 -0.00039 237 2S 0.00171 -0.00076 0.00071 -0.00110 -0.00085 238 22 H 1S -0.00167 -0.00006 -0.00031 0.00065 0.00117 239 2S -0.00255 0.00085 -0.00103 0.00149 0.00096 240 23 H 1S -0.00427 0.00123 0.00094 0.00417 0.00539 241 2S -0.00241 -0.00078 0.00227 0.00225 0.00549 242 24 H 1S 0.01849 -0.00491 0.00918 -0.00620 -0.01000 243 2S 0.01239 -0.00392 0.00533 -0.00603 -0.00615 244 25 H 1S -0.00493 0.00502 -0.00454 0.00387 -0.00085 245 2S -0.00301 0.00405 -0.00459 0.00177 -0.00240 246 26 O 1S 0.00009 0.00009 -0.00002 -0.00004 -0.00002 247 2S -0.00010 -0.00019 0.00005 0.00008 0.00006 248 2PX -0.00021 0.00064 -0.00036 0.00027 0.00025 249 2PY -0.00054 0.00080 -0.00113 -0.00007 -0.00037 250 2PZ 0.00004 0.00003 -0.00009 -0.00025 -0.00004 251 3S -0.00063 -0.00037 0.00023 0.00037 0.00022 252 3PX -0.00021 0.00068 -0.00034 0.00019 0.00023 253 3PY -0.00065 0.00083 -0.00102 0.00002 -0.00026 254 3PZ 0.00003 -0.00024 -0.00021 -0.00016 -0.00020 255 4XX 0.00003 -0.00001 0.00002 -0.00002 0.00000 256 4YY 0.00002 0.00000 -0.00004 0.00000 -0.00003 257 4ZZ 0.00001 0.00001 0.00002 -0.00002 0.00003 258 4XY 0.00002 0.00003 0.00003 0.00001 0.00002 259 4XZ -0.00004 0.00001 -0.00003 0.00003 0.00000 260 4YZ -0.00002 -0.00002 -0.00002 0.00001 -0.00002 261 27 H 1S 0.00012 -0.00010 0.00012 -0.00023 -0.00005 262 2S 0.00023 0.00070 0.00015 -0.00021 0.00035 263 28 H 1S 0.00031 -0.00156 0.00015 0.00002 -0.00066 264 2S 0.00056 -0.00236 -0.00005 -0.00002 -0.00125 191 192 193 194 195 191 18 C 1S 2.05994 192 2S -0.09555 0.29679 193 2PX -0.00040 0.00441 0.34339 194 2PY -0.00035 0.00284 0.03464 0.37922 195 2PZ -0.00025 0.00258 0.04452 -0.03098 0.36459 196 3S -0.14295 0.21748 -0.01026 -0.00490 -0.00773 197 3PX 0.01047 -0.02882 0.21436 -0.00326 -0.01028 198 3PY 0.00686 -0.01937 -0.00333 0.17270 0.03691 199 3PZ 0.00734 -0.02059 -0.01145 0.03729 0.18375 200 4XX -0.00444 0.00053 -0.00341 -0.01235 -0.01160 201 4YY -0.00568 0.00428 -0.00091 0.01492 -0.00594 202 4ZZ -0.00480 0.00215 -0.00265 -0.00733 0.01245 203 4XY -0.00418 0.00875 -0.00962 0.00301 -0.01443 204 4XZ -0.00497 0.01061 -0.00796 -0.01429 0.00209 205 4YZ 0.00118 -0.00368 -0.01687 -0.00539 -0.00695 206 19 C 1S 0.01642 -0.03252 -0.02359 -0.06824 0.02429 207 2S -0.03246 0.05775 0.04713 0.13733 -0.04974 208 2PX 0.02418 -0.04871 0.06410 -0.14466 -0.03438 209 2PY 0.06835 -0.13738 -0.13944 -0.20887 0.13593 210 2PZ -0.02365 0.04705 -0.03882 0.12891 0.03471 211 3S -0.00972 0.04330 0.02564 0.09411 -0.04500 212 3PX 0.00034 0.00102 0.04676 -0.07966 -0.05137 213 3PY 0.01657 -0.04303 -0.06715 -0.06323 0.07215 214 3PZ -0.01242 0.03443 -0.05963 0.05855 0.01744 215 4XX 0.00126 -0.00361 -0.00782 -0.00370 0.00113 216 4YY -0.00612 0.01036 0.01012 0.00618 -0.00956 217 4ZZ 0.00178 -0.00461 -0.00250 -0.00381 0.00899 218 4XY -0.00315 0.00548 -0.00752 0.00846 -0.00333 219 4XZ 0.00219 -0.00478 0.00174 -0.00858 -0.00150 220 4YZ 0.00299 -0.00557 -0.00441 -0.00907 -0.00677 221 20 C 1S -0.00329 0.00713 0.00704 0.01195 -0.00034 222 2S 0.00712 -0.01468 -0.01659 -0.02902 0.00156 223 2PX -0.00941 0.02205 0.01222 0.03165 0.00176 224 2PY -0.01027 0.02418 0.01815 0.02850 -0.00721 225 2PZ -0.00350 0.00840 0.01274 0.00916 -0.00159 226 3S 0.00869 -0.03005 -0.00990 -0.01245 -0.00697 227 3PX -0.00598 0.01563 0.00150 0.02484 0.00681 228 3PY -0.00844 0.02557 0.01506 0.01393 -0.01348 229 3PZ -0.00085 -0.00033 0.02048 0.00092 -0.00548 230 4XX 0.00028 -0.00041 -0.00653 0.00452 0.00586 231 4YY -0.00122 0.00300 0.00381 0.00568 -0.00282 232 4ZZ 0.00113 -0.00213 0.00415 -0.00765 -0.00331 233 4XY -0.00085 0.00189 0.00365 0.00414 -0.00215 234 4XZ 0.00110 -0.00232 -0.00183 -0.00303 0.00208 235 4YZ 0.00003 -0.00019 0.00374 -0.00187 -0.00252 236 21 H 1S -0.00661 0.01528 0.00950 0.02454 -0.00729 237 2S -0.00639 0.01291 0.01630 0.03548 -0.00786 238 22 H 1S 0.01120 -0.02488 -0.00205 -0.03429 0.02418 239 2S 0.00981 -0.01846 -0.00390 -0.05467 0.03800 240 23 H 1S -0.05785 0.10979 -0.18136 -0.12342 -0.12751 241 2S -0.01102 0.02404 -0.13069 -0.08872 -0.09160 242 24 H 1S 0.01116 -0.02493 -0.00630 0.02834 -0.03012 243 2S 0.01001 -0.01894 -0.01079 0.04536 -0.04909 244 25 H 1S -0.00660 0.01526 0.01165 -0.00964 0.02277 245 2S -0.00695 0.01424 0.02090 -0.01219 0.03564 246 26 O 1S -0.00012 0.00050 0.00066 -0.00026 0.00028 247 2S 0.00030 -0.00101 -0.00168 0.00010 -0.00004 248 2PX -0.00125 0.00206 0.00380 -0.00118 0.00108 249 2PY -0.00173 0.00361 0.00277 -0.00160 0.00443 250 2PZ -0.00063 0.00098 0.00137 0.00058 -0.00009 251 3S 0.00055 -0.00231 -0.00208 0.00351 -0.00438 252 3PX -0.00118 0.00214 0.00461 -0.00172 0.00051 253 3PY -0.00169 0.00343 0.00392 -0.00104 0.00273 254 3PZ -0.00061 0.00116 -0.00195 0.00162 0.00332 255 4XX 0.00007 -0.00009 -0.00010 -0.00018 0.00001 256 4YY -0.00007 0.00020 -0.00017 -0.00006 0.00067 257 4ZZ 0.00003 -0.00008 0.00015 -0.00022 -0.00032 258 4XY 0.00000 0.00001 0.00041 -0.00021 -0.00020 259 4XZ -0.00001 0.00003 -0.00011 0.00008 0.00017 260 4YZ -0.00003 0.00005 -0.00028 0.00019 0.00034 261 27 H 1S 0.00023 -0.00044 0.00039 -0.00020 -0.00145 262 2S -0.00007 0.00022 0.00704 -0.00397 -0.00491 263 28 H 1S 0.00059 -0.00107 -0.01315 0.00716 0.00914 264 2S 0.00042 -0.00069 -0.02077 0.01311 0.01583 196 197 198 199 200 196 3S 0.16854 197 3PX -0.02476 0.14895 198 3PY -0.01531 -0.01536 0.09362 199 3PZ -0.01738 -0.02664 0.04903 0.11079 200 4XX 0.00081 -0.00083 -0.00767 -0.00798 0.00102 201 4YY 0.00345 -0.00090 0.00614 -0.00072 -0.00037 202 4ZZ 0.00182 -0.00238 -0.00133 0.00571 -0.00024 203 4XY 0.00683 -0.00621 -0.00106 -0.00694 0.00051 204 4XZ 0.00805 -0.00579 -0.00676 -0.00131 0.00060 205 4YZ -0.00250 -0.01039 -0.00292 -0.00320 0.00065 206 19 C 1S -0.00914 -0.01107 -0.01698 -0.00035 0.00143 207 2S 0.04099 0.03074 0.04458 0.00270 -0.00373 208 2PX -0.04419 0.04468 -0.08316 -0.05108 0.00893 209 2PY -0.09861 -0.07030 -0.06456 0.07272 0.00264 210 2PZ 0.02185 -0.06175 0.05704 0.01806 -0.00210 211 3S 0.02819 0.01681 0.02694 -0.00325 -0.00236 212 3PX -0.00255 0.03268 -0.05246 -0.05030 0.00577 213 3PY -0.02721 -0.03717 -0.01203 0.04407 -0.00033 214 3PZ 0.01739 -0.06104 0.02754 0.00820 -0.00044 215 4XX -0.00272 -0.00545 -0.00070 0.00147 0.00023 216 4YY 0.00735 0.00607 -0.00005 -0.00657 0.00011 217 4ZZ -0.00299 -0.00026 -0.00009 0.00601 -0.00040 218 4XY 0.00350 -0.00662 0.00324 -0.00077 0.00000 219 4XZ -0.00350 0.00320 -0.00455 -0.00073 0.00028 220 4YZ -0.00447 -0.00185 -0.00520 -0.00565 0.00072 221 20 C 1S 0.00905 0.00587 0.00848 0.00084 -0.00071 222 2S -0.02968 -0.01765 -0.02195 -0.00500 0.00184 223 2PX 0.01745 -0.00149 0.02521 0.01031 -0.00215 224 2PY 0.01310 0.01122 0.01293 -0.01601 -0.00264 225 2PZ 0.00975 0.01986 0.00131 -0.00313 -0.00250 226 3S -0.03283 -0.00629 -0.00920 -0.00422 0.00070 227 3PX 0.00914 -0.00963 0.01709 0.00941 -0.00119 228 3PY 0.00798 0.00463 -0.00081 -0.02053 -0.00055 229 3PZ 0.00336 0.02315 -0.00297 -0.00640 -0.00116 230 4XX -0.00002 -0.00520 0.00349 0.00501 -0.00025 231 4YY 0.00081 0.00076 0.00207 -0.00202 -0.00005 232 4ZZ -0.00101 0.00505 -0.00454 -0.00304 0.00019 233 4XY 0.00033 0.00171 0.00051 -0.00205 -0.00003 234 4XZ -0.00146 -0.00089 -0.00102 0.00208 0.00010 235 4YZ 0.00049 0.00294 -0.00180 -0.00161 0.00025 236 21 H 1S -0.00037 -0.00297 0.00947 -0.01053 -0.00102 237 2S 0.00668 0.00577 0.01725 -0.00648 -0.00148 238 22 H 1S -0.01051 0.02044 -0.00829 0.03135 -0.00246 239 2S -0.00966 0.01012 -0.01712 0.02572 -0.00123 240 23 H 1S 0.09151 -0.10742 -0.07327 -0.07516 0.00994 241 2S 0.02519 -0.07186 -0.04892 -0.05000 0.00727 242 24 H 1S -0.00825 0.01797 0.03332 -0.00408 -0.00307 243 2S -0.00816 0.00749 0.02872 -0.01343 -0.00203 244 25 H 1S -0.00010 -0.00112 -0.01130 0.00839 -0.00109 245 2S 0.00617 0.00790 -0.00856 0.01669 -0.00161 246 26 O 1S -0.00248 -0.00080 -0.00055 -0.00118 0.00001 247 2S 0.00507 0.00154 0.00097 0.00280 -0.00003 248 2PX 0.01102 0.00639 -0.00056 0.00171 -0.00009 249 2PY -0.00866 0.00238 0.00799 -0.00417 -0.00034 250 2PZ 0.00617 0.00337 0.00204 0.00105 0.00002 251 3S 0.00902 0.00162 0.00266 0.00141 0.00010 252 3PX 0.00930 0.00609 -0.00072 0.00074 0.00000 253 3PY -0.00444 0.00375 0.00631 -0.00392 -0.00026 254 3PZ 0.00478 0.00016 0.00294 0.00348 -0.00005 255 4XX -0.00037 -0.00016 -0.00011 -0.00001 0.00001 256 4YY -0.00028 -0.00018 0.00019 0.00032 -0.00003 257 4ZZ 0.00009 0.00041 -0.00020 -0.00008 0.00001 258 4XY 0.00055 0.00037 -0.00062 0.00006 0.00000 259 4XZ -0.00002 -0.00024 0.00008 0.00007 0.00001 260 4YZ 0.00046 -0.00021 0.00021 0.00035 0.00000 261 27 H 1S -0.00132 0.00067 0.00033 -0.00086 0.00003 262 2S -0.00160 0.00622 -0.00399 -0.00499 0.00007 263 28 H 1S -0.00207 -0.01446 0.00524 0.01055 -0.00003 264 2S -0.00011 -0.02085 0.01153 0.01538 -0.00044 201 202 203 204 205 201 4YY 0.00124 202 4ZZ -0.00078 0.00110 203 4XY 0.00023 -0.00017 0.00150 204 4XZ -0.00030 0.00028 0.00014 0.00140 205 4YZ -0.00015 -0.00016 0.00063 0.00056 0.00137 206 19 C 1S -0.00610 0.00157 -0.00286 0.00221 0.00330 207 2S 0.01033 -0.00444 0.00525 -0.00484 -0.00584 208 2PX -0.00969 0.00140 0.00712 -0.00129 0.00345 209 2PY -0.00638 0.00496 -0.00868 0.00826 0.00885 210 2PZ 0.00996 -0.00814 0.00417 0.00126 0.00715 211 3S 0.00755 -0.00356 0.00400 -0.00331 -0.00372 212 3PX -0.00658 0.00165 0.00615 -0.00097 0.00107 213 3PY -0.00024 0.00138 -0.00495 0.00444 0.00319 214 3PZ 0.00575 -0.00497 0.00184 0.00313 0.00624 215 4XX -0.00046 0.00034 0.00045 -0.00006 0.00043 216 4YY 0.00051 -0.00052 0.00030 -0.00001 -0.00045 217 4ZZ 0.00000 0.00035 -0.00082 0.00018 -0.00021 218 4XY 0.00056 -0.00033 0.00079 0.00006 0.00052 219 4XZ -0.00017 0.00003 -0.00012 0.00005 -0.00008 220 4YZ -0.00012 -0.00049 0.00030 0.00033 0.00095 221 20 C 1S 0.00013 0.00076 -0.00104 -0.00015 -0.00141 222 2S -0.00009 -0.00129 0.00231 0.00054 0.00307 223 2PX -0.00664 0.00676 0.00022 -0.00425 -0.00614 224 2PY 0.00165 -0.00111 -0.00663 0.00192 -0.00173 225 2PZ 0.00408 -0.00238 -0.00617 0.00242 -0.00150 226 3S 0.00025 -0.00115 0.00073 -0.00096 0.00144 227 3PX -0.00436 0.00464 0.00228 -0.00334 -0.00312 228 3PY 0.00194 -0.00240 -0.00317 0.00222 0.00032 229 3PZ 0.00391 -0.00303 -0.00450 0.00180 -0.00099 230 4XX 0.00049 -0.00019 -0.00016 0.00019 0.00028 231 4YY -0.00008 -0.00004 0.00017 -0.00030 -0.00025 232 4ZZ -0.00036 0.00022 -0.00007 0.00000 -0.00017 233 4XY 0.00030 -0.00030 0.00023 -0.00013 0.00005 234 4XZ -0.00006 0.00007 0.00008 0.00003 0.00006 235 4YZ -0.00008 -0.00006 0.00041 -0.00015 0.00000 236 21 H 1S -0.00054 0.00016 -0.00120 -0.00056 -0.00099 237 2S 0.00053 -0.00018 -0.00113 -0.00116 -0.00181 238 22 H 1S -0.00070 0.00395 -0.00510 -0.00009 -0.00535 239 2S -0.00269 0.00405 -0.00485 0.00131 -0.00311 240 23 H 1S -0.00091 0.00022 0.01199 0.01196 0.01108 241 2S -0.00147 -0.00024 0.00730 0.00692 0.00889 242 24 H 1S 0.00515 -0.00130 -0.00042 -0.00462 -0.00482 243 2S 0.00497 -0.00279 0.00124 -0.00462 -0.00246 244 25 H 1S 0.00032 -0.00062 -0.00058 -0.00115 -0.00090 245 2S 0.00008 0.00028 -0.00131 -0.00115 -0.00202 246 26 O 1S 0.00005 -0.00002 0.00001 -0.00005 0.00001 247 2S -0.00013 0.00012 0.00001 0.00010 -0.00001 248 2PX 0.00000 -0.00003 0.00025 -0.00030 -0.00025 249 2PY 0.00016 -0.00017 -0.00032 -0.00010 -0.00025 250 2PZ 0.00031 -0.00024 0.00013 -0.00003 0.00008 251 3S 0.00004 -0.00021 -0.00025 0.00025 -0.00004 252 3PX -0.00010 0.00002 0.00035 -0.00029 -0.00020 253 3PY 0.00021 -0.00022 -0.00031 -0.00003 -0.00020 254 3PZ 0.00037 -0.00022 0.00010 0.00009 0.00022 255 4XX -0.00002 0.00003 0.00002 0.00001 0.00002 256 4YY 0.00000 0.00002 0.00000 -0.00002 -0.00002 257 4ZZ -0.00001 0.00001 0.00002 0.00001 0.00002 258 4XY -0.00001 0.00001 0.00001 -0.00001 -0.00001 259 4XZ -0.00002 0.00001 0.00001 0.00000 0.00000 260 4YZ 0.00002 -0.00001 0.00000 0.00001 0.00001 261 27 H 1S 0.00007 -0.00005 -0.00004 0.00009 0.00007 262 2S -0.00022 0.00014 0.00014 -0.00019 -0.00016 263 28 H 1S 0.00003 0.00008 0.00019 -0.00015 0.00010 264 2S 0.00048 -0.00005 -0.00009 -0.00007 0.00016 206 207 208 209 210 206 19 C 1S 2.06000 207 2S -0.09582 0.29768 208 2PX -0.00018 0.00235 0.34401 209 2PY 0.00014 -0.00269 0.03866 0.37996 210 2PZ -0.00042 0.00418 0.04657 -0.02892 0.36223 211 3S -0.14327 0.21817 -0.00551 0.00676 -0.00813 212 3PX 0.00619 -0.01684 0.18970 -0.03700 -0.00860 213 3PY -0.00544 0.01520 -0.03814 0.16547 -0.00250 214 3PZ 0.01156 -0.03290 -0.00910 -0.00147 0.21201 215 4XX -0.00317 -0.00142 0.01067 0.00433 -0.00033 216 4YY -0.00543 0.00396 -0.00298 -0.01498 0.00221 217 4ZZ -0.00628 0.00444 -0.01153 0.01462 -0.01004 218 4XY -0.00207 0.00552 0.00369 -0.00265 0.01545 219 4XZ -0.00486 0.01045 0.00612 0.01250 -0.00886 220 4YZ 0.00359 -0.00742 0.01274 0.00673 0.01352 221 20 C 1S 0.01663 -0.03283 -0.05489 -0.03736 -0.03845 222 2S -0.03308 0.05860 0.11141 0.07614 0.07735 223 2PX 0.05455 -0.10916 -0.06269 -0.16733 -0.18183 224 2PY 0.03729 -0.07522 -0.16360 -0.02932 -0.03106 225 2PZ 0.03838 -0.07720 -0.18492 -0.03524 -0.01071 226 3S -0.00790 0.04036 0.06573 0.05331 0.03753 227 3PX 0.01329 -0.03395 0.01044 -0.09046 -0.09158 228 3PY 0.01564 -0.04321 -0.07646 -0.01601 0.03094 229 3PZ 0.00443 -0.00925 -0.10496 0.01240 0.00576 230 4XX -0.00329 0.00523 -0.00445 0.00844 0.00898 231 4YY 0.00042 -0.00212 0.00213 -0.01037 -0.00006 232 4ZZ -0.00012 -0.00117 0.00131 0.00089 -0.00973 233 4XY -0.00373 0.00687 0.00595 -0.00012 0.00938 234 4XZ -0.00379 0.00666 0.00592 0.00741 -0.00090 235 4YZ -0.00373 0.00760 0.01215 0.00116 0.00157 236 21 H 1S 0.01097 -0.02484 -0.02590 -0.03031 -0.00925 237 2S 0.00866 -0.01659 -0.04016 -0.04246 -0.01459 238 22 H 1S -0.05778 0.10995 -0.10163 0.10480 -0.20818 239 2S -0.01087 0.02386 -0.07213 0.07497 -0.14811 240 23 H 1S 0.01121 -0.02490 0.02226 0.03543 -0.00030 241 2S 0.01007 -0.01897 0.03469 0.05682 -0.00178 242 24 H 1S -0.00663 0.01546 -0.00749 -0.02437 0.00997 243 2S -0.00750 0.01585 -0.00956 -0.03969 0.01971 244 25 H 1S -0.00130 0.00169 0.00119 -0.00010 0.00284 245 2S -0.00021 0.00093 -0.00117 -0.00055 -0.00523 246 26 O 1S -0.00035 0.00069 0.00123 0.00042 0.00107 247 2S 0.00058 -0.00127 -0.00152 -0.00044 -0.00218 248 2PX -0.00296 0.00596 0.01110 0.00197 0.00316 249 2PY -0.00067 -0.00008 -0.00183 0.00194 0.00227 250 2PZ -0.00314 0.00690 0.00726 0.00576 0.00840 251 3S 0.00233 -0.00421 -0.01197 -0.00429 -0.00657 252 3PX -0.00314 0.00643 0.01360 0.00140 0.00316 253 3PY -0.00083 0.00080 -0.00228 0.00179 0.00312 254 3PZ -0.00337 0.00718 0.00703 0.00838 0.01199 255 4XX 0.00003 -0.00009 0.00018 0.00006 -0.00007 256 4YY -0.00007 0.00005 0.00017 0.00014 0.00003 257 4ZZ -0.00011 0.00022 0.00045 0.00021 0.00019 258 4XY -0.00002 0.00007 0.00035 -0.00014 -0.00014 259 4XZ 0.00000 0.00001 0.00031 -0.00012 -0.00005 260 4YZ -0.00014 0.00028 0.00024 0.00041 0.00056 261 27 H 1S 0.00013 -0.00010 -0.00161 0.00066 0.00083 262 2S 0.00012 -0.00010 0.00394 -0.00315 -0.00376 263 28 H 1S -0.00032 0.00098 0.00194 0.00065 0.00075 264 2S 0.00013 -0.00044 -0.00699 0.00364 0.00653 211 212 213 214 215 211 3S 0.17237 212 3PX -0.01327 0.12332 213 3PY 0.01514 -0.05044 0.08887 214 3PZ -0.02427 -0.02404 0.00716 0.14065 215 4XX -0.00109 0.00561 -0.00019 -0.00073 0.00095 216 4YY 0.00339 0.00075 -0.00623 0.00145 -0.00066 217 4ZZ 0.00376 -0.00865 0.00878 -0.00561 -0.00034 218 4XY 0.00412 0.00125 -0.00147 0.00928 0.00027 219 4XZ 0.00794 0.00155 0.00507 -0.00696 0.00015 220 4YZ -0.00553 0.00556 0.00087 0.00857 0.00020 221 20 C 1S -0.01176 -0.01458 -0.00218 -0.01614 -0.00329 222 2S 0.04567 0.03801 0.00411 0.04274 0.00530 223 2PX -0.08068 0.01243 -0.08814 -0.09551 0.00474 224 2PY -0.03307 -0.07261 -0.01428 0.03308 -0.00904 225 2PZ -0.06580 -0.10378 0.01969 0.00216 -0.00945 226 3S 0.03023 0.01962 0.00215 0.02021 0.00347 227 3PX -0.01953 0.03347 -0.05282 -0.05297 0.00518 228 3PY -0.01766 -0.03685 -0.01310 0.05105 -0.00560 229 3PZ -0.00525 -0.06511 0.03355 0.00715 -0.00712 230 4XX 0.00376 -0.00550 0.00589 0.00569 0.00002 231 4YY -0.00068 0.00323 -0.00733 0.00161 0.00021 232 4ZZ -0.00140 0.00177 0.00003 -0.00718 -0.00023 233 4XY 0.00582 0.00273 -0.00152 0.00537 -0.00014 234 4XZ 0.00414 0.00131 0.00329 -0.00233 0.00044 235 4YZ 0.00533 0.00659 0.00005 -0.00182 0.00022 236 21 H 1S -0.00388 -0.00283 -0.03486 0.02197 -0.00044 237 2S -0.00295 -0.01040 -0.02271 0.00660 -0.00155 238 22 H 1S 0.09007 -0.06170 0.06220 -0.12459 -0.00210 239 2S 0.02392 -0.04071 0.04115 -0.08227 -0.00131 240 23 H 1S -0.01022 0.02676 0.01127 0.02416 0.00336 241 2S -0.01020 0.02220 0.01918 0.01237 0.00332 242 24 H 1S 0.00063 -0.00986 -0.01158 -0.00300 0.00018 243 2S 0.00706 -0.00683 -0.01905 0.00685 0.00003 244 25 H 1S 0.02146 0.00398 -0.00161 0.00747 -0.00008 245 2S 0.01117 -0.00009 0.00013 -0.00370 -0.00019 246 26 O 1S 0.00465 0.00187 -0.00010 0.00204 0.00002 247 2S -0.01018 -0.00354 -0.00017 -0.00450 0.00003 248 2PX 0.00568 0.00851 0.00221 0.00097 -0.00019 249 2PY 0.01183 0.00705 0.00238 0.01295 -0.00013 250 2PZ 0.00729 0.00469 0.00351 0.00683 -0.00021 251 3S -0.00957 -0.00732 0.00489 -0.00728 -0.00027 252 3PX 0.00580 0.00987 0.00127 0.00049 -0.00007 253 3PY 0.00991 0.00530 0.00345 0.01071 -0.00036 254 3PZ 0.00502 0.00237 0.00348 0.00874 0.00000 255 4XX -0.00053 -0.00013 -0.00028 -0.00025 0.00002 256 4YY 0.00025 0.00017 -0.00017 0.00031 0.00004 257 4ZZ -0.00077 -0.00011 -0.00032 -0.00013 -0.00002 258 4XY -0.00034 -0.00005 -0.00026 -0.00053 -0.00003 259 4XZ -0.00006 0.00021 0.00004 -0.00025 0.00003 260 4YZ 0.00032 0.00008 0.00039 0.00036 0.00002 261 27 H 1S -0.00133 -0.00170 -0.00039 0.00110 -0.00013 262 2S 0.00035 0.00377 -0.00412 -0.00250 -0.00043 263 28 H 1S 0.00090 -0.00181 -0.00030 -0.00121 0.00156 264 2S 0.00123 -0.00751 0.00557 0.00408 0.00178 216 217 218 219 220 216 4YY 0.00125 217 4ZZ -0.00059 0.00155 218 4XY 0.00021 -0.00070 0.00114 219 4XZ -0.00039 0.00078 -0.00036 0.00129 220 4YZ -0.00010 -0.00064 0.00051 -0.00004 0.00164 221 20 C 1S 0.00020 0.00010 -0.00400 -0.00370 -0.00382 222 2S -0.00202 -0.00142 0.00714 0.00665 0.00774 223 2PX -0.00034 -0.00339 -0.00650 -0.00616 -0.01223 224 2PY 0.01021 -0.00073 0.00063 -0.00891 -0.00138 225 2PZ -0.00009 0.01028 -0.00808 -0.00013 -0.00144 226 3S -0.00142 -0.00048 0.00445 0.00483 0.00502 227 3PX -0.00081 -0.00368 -0.00145 -0.00272 -0.00672 228 3PY 0.00711 -0.00189 0.00255 -0.00524 0.00242 229 3PZ 0.00102 0.00712 -0.00412 0.00164 0.00011 230 4XX -0.00035 0.00035 0.00039 0.00004 0.00003 231 4YY 0.00067 -0.00096 0.00050 -0.00063 -0.00010 232 4ZZ -0.00007 0.00052 -0.00069 0.00057 -0.00001 233 4XY 0.00057 -0.00049 0.00076 -0.00004 0.00052 234 4XZ -0.00057 0.00037 -0.00003 0.00075 -0.00001 235 4YZ -0.00002 -0.00028 0.00011 0.00036 0.00018 236 21 H 1S 0.00562 -0.00454 0.00403 -0.00440 0.00015 237 2S 0.00439 -0.00274 0.00159 -0.00400 -0.00159 238 22 H 1S -0.00321 0.01453 -0.00834 0.01075 -0.01195 239 2S -0.00306 0.00984 -0.00710 0.00598 -0.00744 240 23 H 1S 0.00043 -0.00298 0.00470 0.00053 0.00581 241 2S -0.00183 -0.00131 0.00274 0.00178 0.00553 242 24 H 1S -0.00026 -0.00132 0.00082 -0.00046 0.00129 243 2S 0.00081 -0.00215 0.00168 -0.00114 0.00126 244 25 H 1S -0.00019 0.00064 -0.00041 0.00041 -0.00050 245 2S -0.00079 0.00155 -0.00141 0.00087 -0.00123 246 26 O 1S 0.00007 -0.00006 0.00007 -0.00001 0.00007 247 2S -0.00019 0.00013 -0.00013 0.00005 -0.00013 248 2PX 0.00057 -0.00079 0.00056 -0.00043 0.00026 249 2PY 0.00010 -0.00008 0.00024 0.00008 0.00014 250 2PZ 0.00058 -0.00075 0.00062 -0.00053 0.00041 251 3S -0.00013 0.00043 -0.00047 0.00000 -0.00046 252 3PX 0.00054 -0.00087 0.00054 -0.00036 0.00030 253 3PY 0.00028 -0.00008 0.00021 -0.00001 0.00021 254 3PZ 0.00033 -0.00073 0.00081 -0.00055 0.00043 255 4XX -0.00003 0.00002 -0.00002 0.00002 0.00001 256 4YY -0.00003 0.00000 0.00002 0.00001 -0.00002 257 4ZZ 0.00002 -0.00001 0.00000 0.00000 0.00003 258 4XY 0.00003 -0.00001 -0.00001 0.00000 0.00001 259 4XZ -0.00002 -0.00002 0.00000 0.00000 -0.00001 260 4YZ 0.00000 -0.00004 0.00004 -0.00003 0.00000 261 27 H 1S 0.00007 0.00008 -0.00007 0.00003 0.00010 262 2S 0.00045 0.00002 -0.00026 0.00018 0.00027 263 28 H 1S -0.00108 -0.00036 0.00035 -0.00032 -0.00095 264 2S -0.00139 -0.00030 0.00078 -0.00063 -0.00114 221 222 223 224 225 221 20 C 1S 2.06002 222 2S -0.09528 0.29589 223 2PX 0.00044 -0.00323 0.34633 224 2PY -0.00121 -0.00230 0.03852 0.38063 225 2PZ 0.00115 -0.00239 0.04359 -0.02694 0.36376 226 3S -0.14026 0.21252 0.01130 0.02053 0.00175 227 3PX -0.00485 0.01184 0.18447 0.00003 -0.03919 228 3PY -0.01675 0.04295 -0.00552 0.22742 -0.00681 229 3PZ 0.00649 -0.01761 -0.04294 -0.00021 0.18006 230 4XX -0.00307 -0.00138 -0.00958 -0.00297 -0.00202 231 4YY -0.00780 0.00761 0.01144 0.01721 -0.01332 232 4ZZ -0.00416 0.00110 0.00176 -0.00536 0.01244 233 4XY -0.00406 0.00875 -0.00972 0.01017 -0.01054 234 4XZ -0.00307 0.00774 -0.00097 -0.01370 0.00177 235 4YZ 0.00323 -0.00654 -0.01032 -0.01156 -0.01120 236 21 H 1S -0.05799 0.10988 0.08001 0.22732 -0.08088 237 2S -0.00786 0.01772 0.04903 0.14317 -0.04939 238 22 H 1S 0.01138 -0.02559 0.02783 0.00695 0.02887 239 2S 0.00984 -0.01899 0.04483 0.01418 0.04429 240 23 H 1S -0.00654 0.01538 -0.01937 -0.01484 -0.01239 241 2S -0.00722 0.01534 -0.03050 -0.02765 -0.01684 242 24 H 1S -0.00100 0.00106 -0.00077 -0.00239 0.00099 243 2S -0.00043 0.00126 0.00062 0.00185 -0.00042 244 25 H 1S -0.00598 0.01386 0.00888 -0.01287 0.02103 245 2S -0.00710 0.01422 0.01670 -0.02679 0.03789 246 26 O 1S 0.00080 -0.00127 -0.00246 0.00064 -0.00311 247 2S -0.00246 0.00351 0.00520 -0.00220 0.00610 248 2PX 0.00586 -0.01394 -0.01380 0.00604 -0.01896 249 2PY -0.00045 0.00364 0.00067 0.00398 0.00011 250 2PZ 0.00768 -0.01615 -0.01764 0.00759 -0.02404 251 3S -0.00033 0.00096 0.01285 -0.00159 0.02059 252 3PX 0.00529 -0.01244 -0.01352 0.00451 -0.02096 253 3PY 0.00018 0.00169 -0.00218 0.00598 0.00127 254 3PZ 0.00572 -0.01270 -0.01797 0.00639 -0.02620 255 4XX -0.00044 0.00063 0.00020 -0.00046 0.00032 256 4YY -0.00034 0.00033 0.00033 -0.00042 -0.00027 257 4ZZ 0.00000 -0.00017 -0.00078 0.00008 -0.00039 258 4XY 0.00008 -0.00029 -0.00049 0.00031 -0.00014 259 4XZ 0.00000 0.00010 0.00028 -0.00033 -0.00025 260 4YZ 0.00029 -0.00066 -0.00048 0.00007 -0.00122 261 27 H 1S 0.00007 0.00034 -0.00126 0.00114 0.00105 262 2S 0.00034 -0.00020 -0.00394 0.00342 0.00248 263 28 H 1S 0.00263 -0.00551 0.01102 -0.01401 -0.01856 264 2S 0.00105 -0.00240 0.01553 -0.01073 -0.01993 226 227 228 229 230 226 3S 0.16766 227 3PX 0.01507 0.12033 228 3PY 0.03839 -0.01610 0.15566 229 3PZ -0.00752 -0.05122 0.00249 0.11556 230 4XX -0.00156 -0.00515 -0.00170 0.00070 0.00092 231 4YY 0.00678 0.00827 0.01130 -0.00884 -0.00052 232 4ZZ 0.00112 -0.00100 -0.00371 0.00599 -0.00055 233 4XY 0.00648 -0.00344 0.00830 -0.00357 0.00005 234 4XZ 0.00490 -0.00018 -0.00809 0.00025 0.00026 235 4YZ -0.00581 -0.00341 -0.00776 -0.00389 0.00026 236 21 H 1S 0.09447 0.05041 0.14720 -0.05143 -0.00390 237 2S 0.02406 0.03274 0.08126 -0.02191 -0.00234 238 22 H 1S -0.00761 0.00886 -0.02563 0.03050 0.00066 239 2S -0.00719 0.01497 -0.01007 0.02625 -0.00069 240 23 H 1S 0.00041 -0.00920 -0.00004 -0.01146 -0.00012 241 2S 0.00579 -0.01505 -0.01180 -0.01010 0.00048 242 24 H 1S 0.02014 -0.00321 -0.00835 0.00258 -0.00015 243 2S 0.01382 -0.00004 -0.00028 0.00039 -0.00044 244 25 H 1S -0.00111 0.01049 0.00101 0.01206 0.00053 245 2S 0.00771 0.01056 -0.01354 0.01954 0.00017 246 26 O 1S -0.00919 0.00058 0.00596 -0.00265 0.00016 247 2S 0.01907 -0.00179 -0.01223 0.00418 -0.00035 248 2PX -0.01776 -0.01163 -0.00838 -0.01036 -0.00001 249 2PY -0.03894 -0.00140 0.01958 -0.01077 0.00065 250 2PZ -0.03833 -0.01654 0.00554 -0.02054 0.00129 251 3S 0.02885 0.00585 -0.02103 0.02181 -0.00064 252 3PX -0.01661 -0.00989 -0.00699 -0.01127 0.00006 253 3PY -0.03073 -0.00368 0.01499 -0.00607 0.00075 254 3PZ -0.03088 -0.01680 0.00517 -0.02188 0.00150 255 4XX 0.00085 0.00006 0.00029 -0.00012 0.00001 256 4YY -0.00108 0.00007 0.00037 -0.00093 -0.00001 257 4ZZ 0.00003 -0.00134 -0.00009 -0.00083 0.00004 258 4XY 0.00117 -0.00043 -0.00052 0.00024 -0.00005 259 4XZ 0.00161 0.00072 -0.00074 0.00062 -0.00002 260 4YZ -0.00092 -0.00031 -0.00023 -0.00066 0.00008 261 27 H 1S -0.00521 -0.00329 0.00460 -0.00275 0.00032 262 2S -0.00674 -0.00431 0.00653 -0.00176 -0.00038 263 28 H 1S -0.00200 0.01441 -0.01137 -0.01066 -0.00010 264 2S 0.00523 0.01998 -0.01232 -0.00588 0.00042 231 232 233 234 235 231 4YY 0.00211 232 4ZZ -0.00074 0.00119 233 4XY 0.00083 -0.00041 0.00129 234 4XZ -0.00066 0.00030 -0.00029 0.00096 235 4YZ -0.00066 -0.00006 0.00017 0.00026 0.00140 236 21 H 1S 0.01842 -0.00517 0.00961 -0.00596 -0.00917 237 2S 0.01066 -0.00352 0.00477 -0.00527 -0.00505 238 22 H 1S -0.00505 0.00520 -0.00457 0.00407 -0.00077 239 2S -0.00325 0.00423 -0.00467 0.00203 -0.00243 240 23 H 1S -0.00169 0.00044 -0.00105 0.00053 0.00030 241 2S -0.00246 0.00067 -0.00086 0.00141 0.00114 242 24 H 1S 0.00084 -0.00025 0.00038 -0.00036 -0.00038 243 2S 0.00176 -0.00078 0.00075 -0.00108 -0.00076 244 25 H 1S -0.00188 0.00002 -0.00035 0.00089 0.00129 245 2S -0.00260 0.00122 -0.00129 0.00164 0.00074 246 26 O 1S -0.00001 0.00003 0.00007 -0.00002 0.00018 247 2S 0.00005 0.00002 -0.00017 0.00010 -0.00043 248 2PX -0.00110 0.00029 0.00060 0.00076 0.00166 249 2PY -0.00096 -0.00050 -0.00013 -0.00015 0.00046 250 2PZ -0.00078 -0.00025 0.00058 0.00089 0.00150 251 3S -0.00057 0.00050 -0.00073 0.00041 -0.00091 252 3PX -0.00093 0.00029 0.00072 0.00066 0.00180 253 3PY -0.00113 -0.00025 0.00000 0.00010 0.00056 254 3PZ -0.00051 -0.00074 0.00062 0.00075 0.00144 255 4XX 0.00005 0.00001 0.00000 -0.00002 -0.00003 256 4YY 0.00002 -0.00003 -0.00002 0.00000 -0.00002 257 4ZZ -0.00001 -0.00001 0.00003 0.00000 0.00005 258 4XY 0.00003 0.00004 0.00003 0.00000 0.00000 259 4XZ -0.00002 0.00000 0.00001 -0.00001 0.00006 260 4YZ -0.00004 -0.00004 0.00000 0.00007 0.00006 261 27 H 1S 0.00014 -0.00008 0.00001 -0.00005 -0.00019 262 2S 0.00004 0.00060 0.00033 -0.00033 0.00010 263 28 H 1S 0.00109 -0.00093 -0.00034 -0.00003 0.00027 264 2S 0.00166 -0.00195 -0.00071 -0.00003 -0.00078 236 237 238 239 240 236 21 H 1S 0.20453 237 2S 0.11096 0.07599 238 22 H 1S -0.01641 -0.00621 0.20755 239 2S -0.00686 -0.00392 0.12836 0.08958 240 23 H 1S -0.00782 -0.01473 -0.01598 -0.00793 0.20764 241 2S -0.01627 -0.01814 -0.00771 -0.00490 0.12982 242 24 H 1S 0.00240 0.00756 -0.00791 -0.01618 -0.01609 243 2S 0.00686 0.01011 -0.01631 -0.02021 -0.00822 244 25 H 1S -0.00890 -0.01578 0.00241 0.00672 -0.00779 245 2S -0.01757 -0.01811 0.00854 0.01121 -0.01584 246 26 O 1S -0.00026 -0.00219 -0.00054 -0.00033 -0.00022 247 2S 0.00047 0.00368 0.00102 0.00062 0.00060 248 2PX -0.00397 0.00253 -0.00371 -0.00699 -0.00079 249 2PY -0.00022 -0.00767 -0.00005 0.00238 -0.00144 250 2PZ -0.00371 -0.00409 -0.00442 -0.00760 0.00017 251 3S -0.00154 0.00934 0.00406 0.00230 0.00052 252 3PX -0.00351 0.00180 -0.00416 -0.00706 -0.00055 253 3PY -0.00061 -0.00556 -0.00038 0.00091 -0.00138 254 3PZ -0.00234 -0.00424 -0.00528 -0.00765 0.00052 255 4XX 0.00008 -0.00040 0.00004 0.00015 0.00010 256 4YY -0.00001 -0.00037 0.00004 0.00015 -0.00011 257 4ZZ -0.00015 -0.00038 -0.00012 -0.00015 0.00014 258 4XY 0.00009 0.00029 -0.00006 -0.00017 -0.00007 259 4XZ -0.00004 0.00025 -0.00005 -0.00002 0.00001 260 4YZ -0.00022 -0.00013 -0.00024 -0.00038 0.00002 261 27 H 1S 0.00044 -0.00208 0.00009 0.00026 0.00029 262 2S 0.00056 -0.00197 0.00013 0.00051 -0.00046 263 28 H 1S -0.00112 0.00379 -0.00015 -0.00079 0.00029 264 2S 0.00353 0.01058 -0.00081 -0.00141 -0.00051 241 242 243 244 245 241 2S 0.09148 242 24 H 1S -0.00781 0.20774 243 2S -0.00506 0.13038 0.09226 244 25 H 1S -0.01599 -0.01628 -0.00743 0.20629 245 2S -0.01963 -0.00712 -0.00393 0.12495 0.09112 246 26 O 1S -0.00069 0.00027 0.00107 0.00186 -0.00513 247 2S 0.00159 -0.00036 -0.00211 -0.00492 0.01017 248 2PX -0.00035 -0.00075 -0.00133 0.00722 0.00224 249 2PY -0.00198 -0.00220 0.00130 0.01307 -0.04818 250 2PZ 0.00109 0.00081 -0.00023 -0.00089 -0.01089 251 3S 0.00168 -0.00258 -0.00502 -0.00590 0.01787 252 3PX -0.00003 -0.00085 -0.00157 0.00592 0.00025 253 3PY -0.00158 -0.00262 -0.00059 0.01153 -0.03636 254 3PZ 0.00144 0.00075 -0.00022 -0.00201 -0.01144 255 4XX 0.00013 0.00009 0.00001 -0.00069 0.00003 256 4YY -0.00019 0.00010 0.00031 0.00085 -0.00082 257 4ZZ 0.00026 0.00003 -0.00012 -0.00095 -0.00032 258 4XY -0.00009 0.00008 -0.00001 0.00040 0.00254 259 4XZ 0.00002 -0.00019 -0.00021 0.00012 0.00021 260 4YZ 0.00007 -0.00007 -0.00018 0.00001 0.00010 261 27 H 1S 0.00058 0.00066 0.00033 -0.00305 -0.00332 262 2S -0.00058 0.00033 0.00070 0.00171 -0.00104 263 28 H 1S -0.00025 0.00214 0.00390 0.00072 0.00832 264 2S -0.00126 0.00438 0.00584 -0.00057 0.00692 246 247 248 249 250 246 26 O 1S 2.07836 247 2S -0.18098 0.50114 248 2PX -0.04013 0.08936 0.66182 249 2PY 0.01962 -0.03787 0.05287 0.76797 250 2PZ -0.00457 0.01810 0.04732 0.08927 0.53706 251 3S -0.24059 0.55338 0.21824 -0.12372 -0.01449 252 3PX -0.02682 0.06682 0.47783 0.05543 0.05275 253 3PY 0.01244 -0.02670 0.04648 0.58640 0.08405 254 3PZ 0.00136 0.00417 0.05934 0.08850 0.36379 255 4XX -0.01004 0.00421 -0.04506 -0.00672 0.01002 256 4YY -0.00845 0.00163 0.01435 0.02078 0.00374 257 4ZZ -0.01574 0.01660 0.00044 0.00035 -0.00157 258 4XY -0.00054 0.00165 0.01195 -0.03183 -0.00101 259 4XZ 0.00390 -0.00930 0.00477 -0.00213 -0.03925 260 4YZ 0.00136 -0.00221 0.00272 -0.00498 0.01717 261 27 H 1S -0.03152 0.07439 -0.22035 0.02135 0.19646 262 2S 0.01256 -0.02765 -0.09949 0.01491 0.09656 263 28 H 1S 0.00358 -0.00992 0.01752 -0.06238 0.00170 264 2S -0.00233 0.00330 0.03070 -0.08240 0.00149 251 252 253 254 255 251 3S 0.66831 252 3PX 0.15725 0.34776 253 3PY -0.08878 0.04714 0.45198 254 3PZ -0.02272 0.05585 0.07850 0.25169 255 4XX -0.00458 -0.03203 -0.00512 0.00462 0.00369 256 4YY 0.00129 0.01072 0.01542 0.00385 -0.00099 257 4ZZ 0.01608 0.00016 0.00030 -0.00065 0.00032 258 4XY 0.00758 0.00774 -0.02394 -0.00120 -0.00068 259 4XZ -0.00582 0.00249 -0.00267 -0.02591 -0.00149 260 4YZ -0.00157 0.00241 -0.00284 0.01138 0.00022 261 27 H 1S 0.01857 -0.15156 0.02065 0.12176 0.02226 262 2S -0.06336 -0.06940 0.01360 0.06279 0.00903 263 28 H 1S -0.00688 0.01887 -0.07066 -0.00276 -0.00092 264 2S 0.02518 0.02446 -0.07628 -0.00535 -0.00175 256 257 258 259 260 256 4YY 0.00097 257 4ZZ 0.00011 0.00087 258 4XY -0.00060 -0.00002 0.00169 259 4XZ -0.00006 -0.00023 0.00003 0.00328 260 4YZ -0.00013 -0.00023 0.00035 -0.00119 0.00074 261 27 H 1S -0.00333 0.00292 -0.00521 -0.01933 0.00501 262 2S -0.00141 -0.00015 -0.00200 -0.00862 0.00269 263 28 H 1S 0.00214 -0.00248 0.00054 0.00171 -0.00161 264 2S 0.00051 -0.00272 0.00244 0.00099 -0.00001 261 262 263 264 261 27 H 1S 0.17885 262 2S 0.07262 0.04051 263 28 H 1S -0.01363 -0.01426 0.21010 264 2S -0.01628 -0.01774 0.13529 0.10626 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05821 2 2S -0.01896 0.28229 3 2PX 0.00000 0.00000 0.38643 4 2PY 0.00000 0.00000 0.00000 0.38405 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.31367 6 3S -0.03310 0.20929 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.09280 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.10550 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.06720 10 4XX -0.00031 0.00206 0.00000 0.00000 0.00000 11 4YY -0.00045 0.00406 0.00000 0.00000 0.00000 12 4ZZ -0.00026 0.00196 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00018 -0.00084 -0.00002 -0.00046 17 2S -0.00019 0.00578 0.01761 0.00056 0.00949 18 2PX -0.00070 0.01402 0.02353 0.00106 0.02281 19 2PY -0.00004 0.00066 0.00185 0.00036 0.00125 20 2PZ -0.00044 0.00876 0.02635 0.00116 0.00515 21 3S -0.00030 0.00898 0.02511 -0.00071 0.00973 22 3PX 0.00008 0.00522 0.00447 -0.00112 0.00591 23 3PY 0.00001 0.00071 0.00118 -0.00196 0.00062 24 3PZ 0.00014 0.00337 0.01136 -0.00051 -0.00086 25 4XX -0.00005 0.00125 0.00044 0.00012 0.00151 26 4YY 0.00000 -0.00038 -0.00084 0.00003 -0.00045 27 4ZZ -0.00002 0.00053 0.00172 0.00020 -0.00007 28 4XY -0.00002 0.00034 0.00051 0.00038 0.00059 29 4XZ -0.00010 0.00178 0.00246 0.00029 0.00079 30 4YZ 0.00000 0.00005 0.00025 0.00028 0.00004 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00002 -0.00010 0.00000 -0.00004 33 2PX 0.00000 -0.00010 -0.00032 0.00000 -0.00014 34 2PY 0.00000 -0.00002 -0.00008 0.00000 -0.00003 35 2PZ 0.00000 -0.00002 -0.00007 0.00001 -0.00001 36 3S 0.00006 -0.00145 -0.00307 0.00031 -0.00113 37 3PX 0.00014 -0.00248 -0.00409 -0.00042 -0.00203 38 3PY 0.00004 -0.00057 -0.00120 -0.00006 -0.00050 39 3PZ 0.00002 -0.00049 -0.00124 -0.00004 -0.00003 40 4XX 0.00000 0.00000 0.00001 0.00000 0.00001 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00000 0.00000 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00006 0.00020 0.00000 0.00007 53 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 54 3PZ 0.00000 0.00001 0.00002 0.00000 0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 0.00000 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S 0.00000 -0.00001 0.00001 0.00010 0.00002 112 3PX 0.00000 0.00004 0.00014 -0.00007 -0.00001 113 3PY 0.00001 -0.00004 -0.00024 -0.00031 -0.00008 114 3PZ 0.00000 -0.00003 -0.00006 0.00000 -0.00001 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 -0.00007 -0.00001 -0.00064 -0.00001 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00000 0.00000 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00001 0.00000 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00001 -0.00002 -0.00003 -0.00002 133 2PX 0.00000 -0.00005 -0.00006 -0.00004 -0.00009 134 2PY 0.00000 -0.00001 -0.00002 0.00001 -0.00003 135 2PZ 0.00000 -0.00004 -0.00011 -0.00009 -0.00005 136 3S 0.00002 -0.00030 -0.00023 -0.00039 -0.00028 137 3PX 0.00007 -0.00188 -0.00100 -0.00069 -0.00220 138 3PY 0.00001 -0.00020 -0.00006 0.00023 -0.00040 139 3PZ 0.00007 -0.00152 -0.00239 -0.00179 -0.00091 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 -0.00002 0.00000 -0.00001 142 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00001 143 4XY 0.00000 0.00000 0.00001 0.00000 0.00001 144 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 145 4YZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 146 15 C 1S 0.00000 -0.00017 -0.00066 -0.00039 -0.00029 147 2S -0.00018 0.00525 0.01261 0.00738 0.00534 148 2PX -0.00063 0.01250 0.01378 0.01518 0.01181 149 2PY -0.00029 0.00597 0.01339 0.00125 0.00539 150 2PZ -0.00032 0.00639 0.01330 0.00710 0.00071 151 3S 0.00005 0.00496 0.01221 0.01196 0.00627 152 3PX -0.00030 0.00841 0.00179 0.01136 0.00637 153 3PY -0.00041 0.00542 0.00834 -0.00588 0.00672 154 3PZ 0.00016 0.00230 0.00908 0.00585 -0.00229 155 4XX -0.00003 0.00092 -0.00007 0.00119 0.00098 156 4YY 0.00000 -0.00003 0.00014 -0.00018 -0.00020 157 4ZZ 0.00000 -0.00006 0.00023 0.00006 -0.00013 158 4XY -0.00005 0.00087 0.00067 0.00014 0.00076 159 4XZ -0.00004 0.00070 0.00081 0.00088 0.00005 160 4YZ -0.00003 0.00054 0.00127 0.00006 0.00005 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00003 -0.00007 -0.00010 -0.00001 163 2PX 0.00000 -0.00006 -0.00004 -0.00015 -0.00002 164 2PY 0.00000 -0.00009 -0.00026 -0.00020 -0.00002 165 2PZ 0.00000 0.00000 0.00000 0.00001 -0.00001 166 3S 0.00000 -0.00017 -0.00023 0.00002 0.00010 167 3PX 0.00006 -0.00122 -0.00048 -0.00300 -0.00024 168 3PY 0.00007 -0.00111 -0.00162 -0.00178 0.00013 169 3PZ 0.00001 -0.00011 -0.00036 -0.00015 0.00027 170 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00001 0.00002 0.00002 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 -0.00001 0.00000 -0.00001 0.00000 182 3PX 0.00000 0.00001 0.00002 0.00001 0.00001 183 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 184 3PZ 0.00000 0.00001 0.00002 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00001 0.00001 198 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 -0.00001 0.00001 0.00000 -0.00001 212 3PX 0.00000 0.00000 0.00005 0.00001 0.00000 213 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00001 0.00001 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 -0.00005 -0.00009 0.00000 -0.00007 223 2PX 0.00000 -0.00008 -0.00006 -0.00001 -0.00017 224 2PY 0.00000 0.00000 0.00000 -0.00001 0.00001 225 2PZ 0.00000 -0.00012 -0.00028 -0.00001 -0.00010 226 3S 0.00005 -0.00100 -0.00041 -0.00002 -0.00114 227 3PX 0.00016 -0.00243 -0.00023 -0.00021 -0.00297 228 3PY 0.00000 -0.00008 -0.00027 0.00012 -0.00002 229 3PZ 0.00020 -0.00254 -0.00089 -0.00005 -0.00139 230 4XX 0.00000 0.00001 0.00001 0.00000 0.00001 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00002 0.00000 0.00002 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 -0.00001 0.00000 -0.00001 237 2S 0.00002 -0.00033 -0.00002 0.00005 -0.00041 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 245 2S 0.00001 -0.00024 -0.00011 -0.00067 -0.00002 246 26 O 1S 0.00000 -0.00005 -0.00005 -0.00016 -0.00043 247 2S -0.00002 0.00126 0.00122 0.00288 0.00751 248 2PX -0.00003 0.00188 -0.00068 0.00219 0.00597 249 2PY -0.00006 0.00345 0.00175 0.00067 0.01110 250 2PZ -0.00019 0.01006 0.00487 0.01105 0.02369 251 3S 0.00095 -0.01006 -0.00189 0.00476 0.01602 252 3PX -0.00046 0.00464 -0.00719 0.00371 0.00995 253 3PY -0.00061 0.00737 0.00240 -0.00694 0.01591 254 3PZ -0.00219 0.02070 0.00679 0.01536 0.02528 255 4XX -0.00001 0.00016 0.00000 0.00016 0.00024 256 4YY -0.00001 0.00027 0.00019 -0.00009 0.00046 257 4ZZ -0.00009 0.00127 0.00086 0.00089 -0.00035 258 4XY -0.00003 0.00031 0.00000 0.00002 0.00097 259 4XZ -0.00008 0.00090 0.00008 0.00087 0.00170 260 4YZ -0.00010 0.00105 0.00052 0.00003 0.00150 261 27 H 1S 0.00000 -0.00029 -0.00001 -0.00016 -0.00120 262 2S 0.00009 -0.00098 -0.00038 -0.00050 -0.00604 263 28 H 1S -0.00173 0.02680 0.01155 0.07735 0.00637 264 2S -0.00069 0.00740 0.00689 0.03808 0.00418 6 7 8 9 10 6 3S 0.34976 7 3PX 0.00000 0.09018 8 3PY 0.00000 0.00000 0.09836 9 3PZ 0.00000 0.00000 0.00000 0.05347 10 4XX 0.00211 0.00000 0.00000 0.00000 0.00143 11 4YY 0.00826 0.00000 0.00000 0.00000 -0.00033 12 4ZZ -0.00488 0.00000 0.00000 0.00000 -0.00014 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S -0.00024 -0.00058 -0.00005 -0.00088 -0.00005 17 2S 0.00380 0.01006 0.00004 0.00747 0.00132 18 2PX 0.01981 0.00554 -0.00007 0.01368 0.00051 19 2PY 0.00096 0.00080 0.00242 0.00074 0.00017 20 2PZ 0.01304 0.01712 -0.00063 -0.00170 0.00167 21 3S 0.00153 0.01828 -0.00255 0.00746 0.00178 22 3PX -0.00190 -0.00220 -0.00126 0.00424 -0.00008 23 3PY 0.00070 -0.00012 -0.00312 0.00033 0.00009 24 3PZ -0.00115 0.00688 -0.00128 -0.00335 0.00133 25 4XX 0.00279 0.00057 -0.00003 0.00116 0.00006 26 4YY -0.00305 -0.00189 -0.00010 -0.00082 -0.00001 27 4ZZ 0.00229 0.00173 0.00023 0.00002 -0.00006 28 4XY 0.00033 0.00009 0.00046 0.00013 0.00003 29 4XZ 0.00136 0.00027 0.00003 -0.00005 0.00012 30 4YZ 0.00001 0.00004 0.00014 0.00000 0.00000 31 3 C 1S 0.00004 0.00014 0.00001 0.00003 0.00000 32 2S -0.00091 -0.00231 -0.00013 -0.00043 0.00000 33 2PX -0.00277 -0.00382 -0.00005 -0.00146 0.00000 34 2PY -0.00048 -0.00104 0.00001 -0.00018 0.00000 35 2PZ -0.00016 -0.00143 0.00017 -0.00004 0.00001 36 3S -0.01074 -0.01129 0.00023 -0.00280 -0.00008 37 3PX -0.01001 -0.00683 -0.00118 -0.00339 -0.00010 38 3PY -0.00306 -0.00381 0.00020 -0.00082 -0.00003 39 3PZ -0.00003 -0.00350 0.00018 0.00017 0.00004 40 4XX -0.00002 0.00004 0.00003 0.00005 0.00000 41 4YY -0.00005 -0.00016 0.00000 -0.00005 0.00000 42 4ZZ 0.00005 0.00013 0.00000 0.00002 0.00000 43 4XY -0.00005 -0.00008 0.00000 -0.00003 0.00000 44 4XZ 0.00002 0.00009 0.00001 0.00001 0.00000 45 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00001 0.00003 0.00000 0.00001 0.00000 48 2PX 0.00004 0.00015 0.00000 0.00005 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00001 0.00000 0.00000 0.00001 0.00000 51 3S 0.00002 0.00016 -0.00002 0.00009 0.00000 52 3PX 0.00133 0.00219 0.00001 0.00056 0.00000 53 3PY 0.00000 -0.00002 -0.00006 0.00000 0.00000 54 3PZ 0.00019 0.00006 0.00000 0.00004 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00001 0.00001 0.00000 0.00000 0.00000 67 3PX 0.00000 -0.00002 0.00001 -0.00001 0.00000 68 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 69 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 0.00000 0.00000 0.00000 82 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 -0.00002 -0.00003 0.00000 0.00000 97 3PX -0.00005 -0.00011 -0.00009 -0.00001 0.00000 98 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 99 3PZ 0.00001 0.00002 0.00000 0.00000 0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 107 2S 0.00014 0.00007 0.00003 0.00000 0.00000 108 2PX 0.00004 0.00016 0.00014 0.00000 0.00000 109 2PY 0.00005 -0.00015 0.00003 -0.00005 0.00000 110 2PZ 0.00008 -0.00003 0.00009 0.00001 0.00000 111 3S 0.00027 0.00014 0.00053 0.00005 0.00000 112 3PX 0.00057 0.00073 0.00046 0.00000 -0.00002 113 3PY 0.00038 -0.00113 -0.00082 -0.00024 -0.00005 114 3PZ 0.00055 -0.00015 0.00030 -0.00001 0.00001 115 4XX 0.00002 0.00003 0.00003 0.00000 0.00000 116 4YY -0.00001 -0.00004 0.00000 -0.00001 0.00000 117 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 118 4XY -0.00003 -0.00002 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 120 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 121 9 H 1S 0.00029 0.00024 0.00025 0.00002 0.00000 122 2S 0.00166 0.00055 -0.00156 0.00006 -0.00003 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00000 0.00000 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00009 0.00015 0.00000 0.00005 0.00000 131 14 O 1S 0.00007 -0.00001 0.00000 0.00001 0.00000 132 2S -0.00119 0.00017 -0.00015 -0.00023 0.00000 133 2PX -0.00276 -0.00056 0.00023 -0.00039 0.00000 134 2PY 0.00008 -0.00076 0.00036 -0.00090 0.00000 135 2PZ -0.00271 -0.00143 -0.00081 -0.00030 0.00000 136 3S -0.00352 0.00088 -0.00061 0.00059 0.00003 137 3PX -0.01461 -0.00029 0.00097 -0.00244 -0.00009 138 3PY 0.00156 -0.00180 0.00064 -0.00232 -0.00010 139 3PZ -0.01336 -0.00545 -0.00311 -0.00083 0.00007 140 4XX 0.00006 0.00004 -0.00005 0.00004 0.00000 141 4YY -0.00002 -0.00019 0.00011 -0.00019 0.00000 142 4ZZ -0.00014 0.00007 -0.00015 0.00005 0.00000 143 4XY -0.00010 -0.00001 0.00001 0.00004 0.00000 144 4XZ -0.00005 -0.00001 0.00003 0.00002 0.00000 145 4YZ -0.00013 -0.00006 0.00000 -0.00001 0.00000 146 15 C 1S -0.00027 0.00000 -0.00091 -0.00029 -0.00003 147 2S -0.00078 0.00388 0.00732 0.00205 0.00068 148 2PX 0.01144 0.00073 0.00912 0.00393 -0.00032 149 2PY 0.00370 0.00784 -0.00325 0.00337 0.00097 150 2PZ 0.00590 0.00685 0.00486 -0.00220 0.00116 151 3S -0.01570 -0.00181 0.01427 0.00101 0.00134 152 3PX -0.00034 -0.00404 0.00745 0.00130 -0.00092 153 3PY 0.00091 0.00341 -0.01129 0.00467 0.00163 154 3PZ -0.00489 0.00648 0.00454 -0.00530 0.00149 155 4XX 0.00112 -0.00007 0.00122 0.00088 0.00006 156 4YY 0.00049 -0.00001 -0.00050 -0.00018 -0.00003 157 4ZZ -0.00062 0.00057 -0.00007 -0.00039 -0.00006 158 4XY 0.00041 0.00002 -0.00009 0.00011 0.00004 159 4XZ 0.00020 0.00003 0.00019 -0.00004 0.00001 160 4YZ 0.00030 0.00031 -0.00002 -0.00002 -0.00003 161 16 C 1S 0.00000 0.00006 0.00007 0.00000 0.00000 162 2S 0.00016 -0.00081 -0.00126 -0.00003 0.00000 163 2PX -0.00042 -0.00064 -0.00136 -0.00019 -0.00001 164 2PY -0.00132 -0.00243 -0.00091 -0.00026 0.00002 165 2PZ -0.00008 0.00000 0.00009 0.00000 0.00000 166 3S 0.00019 -0.00210 0.00004 0.00010 0.00006 167 3PX 0.00089 -0.00060 -0.00567 -0.00031 -0.00022 168 3PY -0.00099 -0.00346 -0.00214 0.00011 0.00023 169 3PZ -0.00027 -0.00020 -0.00005 0.00078 0.00004 170 4XX 0.00008 0.00005 0.00013 0.00001 0.00000 171 4YY -0.00006 -0.00005 -0.00001 0.00000 0.00000 172 4ZZ 0.00000 -0.00002 -0.00009 0.00000 0.00000 173 4XY 0.00004 0.00003 0.00009 0.00000 0.00000 174 4XZ 0.00000 0.00001 0.00001 -0.00001 0.00000 175 4YZ 0.00002 0.00003 0.00003 -0.00004 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00001 0.00003 0.00003 0.00001 0.00000 178 2PX 0.00003 0.00006 0.00002 0.00003 0.00000 179 2PY 0.00002 0.00004 0.00003 0.00001 0.00000 180 2PZ 0.00000 0.00001 0.00001 0.00000 0.00000 181 3S 0.00010 0.00017 -0.00006 0.00002 0.00000 182 3PX 0.00037 0.00035 0.00004 0.00025 0.00000 183 3PY 0.00018 0.00020 0.00002 -0.00005 0.00000 184 3PZ 0.00007 0.00006 -0.00001 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00006 0.00003 0.00003 0.00000 197 3PX -0.00005 0.00005 0.00006 0.00010 0.00000 198 3PY -0.00003 -0.00001 0.00000 -0.00003 0.00000 199 3PZ 0.00002 -0.00007 -0.00001 -0.00003 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00002 0.00002 0.00001 0.00001 0.00000 208 2PX 0.00003 0.00007 0.00002 -0.00002 0.00000 209 2PY 0.00001 0.00000 0.00000 0.00001 0.00000 210 2PZ 0.00004 0.00001 0.00002 0.00004 0.00000 211 3S -0.00001 0.00020 0.00000 -0.00004 0.00000 212 3PX 0.00005 0.00059 0.00008 -0.00030 0.00000 213 3PY -0.00004 0.00008 -0.00003 0.00004 0.00000 214 3PZ 0.00042 -0.00011 0.00014 0.00021 0.00000 215 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00001 0.00005 0.00000 0.00003 0.00000 222 2S -0.00021 -0.00071 0.00005 -0.00054 0.00000 223 2PX -0.00148 -0.00044 -0.00018 -0.00184 -0.00002 224 2PY 0.00004 -0.00002 -0.00039 0.00016 0.00000 225 2PZ -0.00217 -0.00189 -0.00015 0.00024 0.00002 226 3S -0.00306 -0.00005 0.00001 -0.00128 -0.00005 227 3PX -0.00651 0.00027 -0.00053 -0.00634 -0.00033 228 3PY 0.00028 -0.00033 -0.00102 0.00025 0.00002 229 3PZ -0.00951 -0.00007 -0.00025 0.00033 0.00021 230 4XX 0.00011 0.00002 0.00001 0.00011 0.00000 231 4YY 0.00001 -0.00007 0.00000 -0.00006 0.00000 232 4ZZ -0.00009 0.00005 0.00000 0.00002 0.00000 233 4XY 0.00001 0.00000 -0.00003 0.00001 0.00000 234 4XZ 0.00001 0.00004 0.00001 0.00001 0.00000 235 4YZ 0.00001 0.00002 -0.00003 0.00000 0.00000 236 21 H 1S 0.00007 -0.00014 -0.00008 0.00001 0.00000 237 2S -0.00116 0.00025 0.00010 -0.00022 -0.00002 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S -0.00002 -0.00003 0.00000 -0.00002 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S -0.00002 -0.00003 -0.00003 -0.00001 0.00000 244 25 H 1S -0.00004 -0.00010 -0.00041 0.00002 0.00000 245 2S -0.00002 -0.00027 -0.00251 -0.00018 0.00000 246 26 O 1S 0.00142 -0.00006 0.00029 0.00023 0.00000 247 2S -0.01762 0.00107 -0.00304 -0.00312 -0.00010 248 2PX 0.00028 0.00437 0.00171 0.00275 0.00010 249 2PY -0.00290 0.00056 -0.00289 0.00841 0.00002 250 2PZ 0.00473 -0.00039 0.00304 0.00255 -0.00041 251 3S -0.06258 -0.00121 -0.00889 -0.00648 -0.00050 252 3PX -0.00001 0.00945 0.00338 0.00489 -0.00046 253 3PY -0.01335 0.00112 -0.01481 0.01554 0.00021 254 3PZ 0.00471 -0.00210 0.00383 0.00018 -0.00190 255 4XX -0.00028 -0.00032 0.00044 0.00033 -0.00003 256 4YY 0.00047 0.00034 -0.00030 0.00074 0.00001 257 4ZZ 0.00060 0.00053 0.00043 -0.00063 0.00003 258 4XY -0.00002 0.00012 -0.00005 0.00022 0.00000 259 4XZ 0.00026 0.00026 0.00009 0.00008 0.00001 260 4YZ 0.00028 0.00002 0.00000 0.00006 -0.00003 261 27 H 1S -0.00329 0.00031 0.00036 -0.00171 -0.00001 262 2S 0.00097 -0.00047 0.00111 -0.00496 0.00010 263 28 H 1S 0.06120 0.00945 0.05863 0.00371 -0.00076 264 2S 0.04073 0.00802 0.04604 0.00359 -0.00180 11 12 13 14 15 11 4YY 0.00295 12 4ZZ -0.00053 0.00236 13 4XY 0.00000 0.00000 0.00190 14 4XZ 0.00000 0.00000 0.00000 0.00309 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00254 16 2 C 1S 0.00000 -0.00001 -0.00001 -0.00011 0.00000 17 2S -0.00032 0.00027 0.00018 0.00205 0.00008 18 2PX -0.00055 0.00087 0.00025 0.00241 0.00017 19 2PY 0.00002 -0.00001 0.00024 0.00026 0.00021 20 2PZ -0.00031 -0.00016 0.00020 0.00119 0.00002 21 3S -0.00208 0.00140 0.00012 0.00102 0.00007 22 3PX -0.00159 0.00198 0.00002 0.00017 0.00012 23 3PY -0.00006 0.00010 0.00013 0.00011 -0.00004 24 3PZ -0.00085 -0.00002 0.00010 -0.00006 -0.00001 25 4XX -0.00001 -0.00006 0.00000 0.00012 -0.00004 26 4YY 0.00001 -0.00001 0.00000 -0.00007 0.00000 27 4ZZ 0.00000 0.00002 -0.00004 0.00004 0.00001 28 4XY 0.00001 0.00002 -0.00007 0.00002 0.00000 29 4XZ -0.00001 0.00000 0.00001 0.00020 0.00000 30 4YZ 0.00001 0.00002 -0.00003 0.00000 -0.00003 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00002 0.00001 0.00002 -0.00011 0.00000 37 3PX 0.00024 -0.00022 0.00010 -0.00008 0.00004 38 3PY 0.00001 -0.00001 -0.00001 -0.00002 0.00000 39 3PZ 0.00002 -0.00004 0.00000 -0.00001 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00000 0.00000 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00000 0.00001 0.00000 53 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 0.00000 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S -0.00001 0.00001 -0.00001 0.00000 0.00000 112 3PX -0.00003 0.00002 -0.00001 0.00000 0.00000 113 3PY 0.00005 -0.00001 0.00002 0.00000 0.00000 114 3PZ -0.00001 0.00000 -0.00001 0.00000 0.00000 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00008 -0.00002 0.00002 0.00000 0.00000 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00000 0.00000 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 134 2PY 0.00000 0.00001 0.00000 0.00000 0.00001 135 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00000 136 3S 0.00000 0.00002 -0.00002 -0.00001 0.00002 137 3PX 0.00001 0.00010 -0.00004 -0.00005 0.00011 138 3PY 0.00001 0.00018 0.00000 0.00002 0.00007 139 3PZ 0.00006 -0.00010 0.00018 -0.00013 0.00005 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 -0.00006 -0.00006 -0.00003 147 2S -0.00018 0.00001 0.00098 0.00095 0.00055 148 2PX 0.00013 0.00040 0.00081 0.00089 0.00138 149 2PY -0.00022 0.00014 0.00011 0.00105 0.00006 150 2PZ -0.00005 -0.00017 0.00108 0.00007 0.00009 151 3S -0.00170 0.00086 0.00064 0.00074 0.00035 152 3PX 0.00055 0.00073 0.00004 0.00009 0.00051 153 3PY -0.00099 0.00008 -0.00021 0.00033 -0.00007 154 3PZ -0.00058 -0.00050 0.00028 -0.00012 -0.00001 155 4XX -0.00011 0.00003 0.00007 0.00000 -0.00002 156 4YY 0.00002 -0.00004 -0.00001 -0.00003 0.00001 157 4ZZ 0.00001 0.00001 -0.00004 0.00002 0.00000 158 4XY 0.00000 -0.00002 0.00004 0.00001 0.00004 159 4XZ -0.00002 0.00001 0.00003 0.00005 0.00001 160 4YZ 0.00001 0.00000 0.00000 0.00002 0.00001 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00003 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00001 0.00000 0.00003 -0.00001 0.00000 165 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 166 3S -0.00007 0.00001 0.00007 0.00000 0.00002 167 3PX 0.00049 -0.00005 -0.00008 -0.00001 0.00001 168 3PY 0.00020 -0.00029 0.00006 -0.00005 -0.00002 169 3PZ -0.00006 0.00000 0.00000 0.00002 0.00007 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00001 0.00000 0.00001 0.00000 223 2PX 0.00000 0.00002 0.00000 0.00002 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ -0.00001 0.00001 0.00000 0.00002 0.00000 226 3S 0.00001 0.00002 -0.00001 0.00004 -0.00001 227 3PX 0.00013 0.00021 -0.00001 0.00004 0.00000 228 3PY -0.00001 -0.00001 -0.00002 -0.00002 0.00005 229 3PZ -0.00017 0.00002 -0.00001 0.00005 -0.00002 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00003 -0.00004 0.00000 -0.00001 0.00001 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00004 -0.00002 -0.00003 0.00000 0.00001 246 26 O 1S 0.00000 -0.00005 -0.00002 -0.00004 -0.00007 247 2S 0.00001 0.00130 0.00032 0.00089 0.00135 248 2PX 0.00009 0.00109 0.00003 0.00022 0.00110 249 2PY -0.00012 0.00315 -0.00005 0.00131 -0.00008 250 2PZ 0.00060 0.00055 0.00093 0.00112 0.00315 251 3S 0.00062 0.00127 0.00044 0.00117 0.00124 252 3PX 0.00022 0.00181 0.00012 0.00111 0.00095 253 3PY -0.00174 0.00564 0.00012 0.00113 0.00013 254 3PZ 0.00203 0.00071 0.00075 0.00047 0.00155 255 4XX 0.00001 0.00012 0.00000 0.00002 0.00009 256 4YY -0.00001 0.00007 0.00000 0.00005 -0.00001 257 4ZZ -0.00007 0.00011 0.00000 0.00002 0.00011 258 4XY -0.00001 0.00020 0.00000 -0.00003 0.00001 259 4XZ 0.00007 0.00000 -0.00004 -0.00007 0.00015 260 4YZ 0.00000 0.00010 0.00001 0.00006 0.00004 261 27 H 1S -0.00002 0.00021 0.00001 0.00005 -0.00001 262 2S -0.00034 0.00026 0.00002 0.00009 -0.00006 263 28 H 1S 0.00830 -0.00144 0.00240 0.00022 0.00099 264 2S 0.00660 -0.00322 0.00045 0.00003 0.00016 16 17 18 19 20 16 2 C 1S 2.06182 17 2S -0.02353 0.33721 18 2PX 0.00000 0.00000 0.35763 19 2PY 0.00000 0.00000 0.00000 0.37418 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.29594 21 3S -0.02377 0.18284 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.07224 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.03893 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.05761 25 4XX -0.00016 -0.00117 0.00000 0.00000 0.00000 26 4YY -0.00037 0.00428 0.00000 0.00000 0.00000 27 4ZZ -0.00002 -0.00429 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00027 -0.00084 -0.00070 -0.00003 32 2S -0.00027 0.00771 0.01471 0.01218 0.00045 33 2PX -0.00090 0.01692 0.01595 0.02787 0.00170 34 2PY -0.00074 0.01426 0.02733 0.01049 0.00040 35 2PZ -0.00003 0.00063 0.00187 0.00035 0.00304 36 3S 0.00019 0.00502 0.01714 0.01185 0.00146 37 3PX 0.00045 0.00389 0.00185 0.01975 0.00045 38 3PY -0.00206 0.01783 0.01527 -0.00042 0.00107 39 3PZ 0.00016 -0.00079 0.00168 0.00059 0.00608 40 4XX -0.00006 0.00112 0.00018 0.00154 0.00001 41 4YY -0.00003 0.00049 0.00123 -0.00026 0.00007 42 4ZZ 0.00000 -0.00022 -0.00035 -0.00025 0.00001 43 4XY -0.00014 0.00220 0.00205 0.00148 0.00013 44 4XZ 0.00000 0.00004 -0.00001 0.00008 0.00033 45 4YZ -0.00001 0.00011 0.00018 0.00010 0.00024 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00006 -0.00020 -0.00003 -0.00002 48 2PX 0.00000 -0.00020 -0.00057 -0.00011 -0.00004 49 2PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 50 2PZ 0.00000 -0.00003 -0.00003 -0.00003 -0.00001 51 3S 0.00011 -0.00185 -0.00064 0.00012 -0.00040 52 3PX 0.00029 -0.00371 -0.00387 -0.00010 -0.00198 53 3PY 0.00000 -0.00009 -0.00095 0.00057 0.00007 54 3PZ 0.00004 -0.00051 0.00023 -0.00008 0.00032 55 4XX 0.00000 0.00001 0.00005 0.00001 0.00001 56 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00001 0.00003 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 0.00001 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00004 0.00004 0.00000 -0.00001 68 3PY 0.00000 0.00001 0.00004 0.00001 -0.00001 69 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 0.00001 0.00002 0.00000 97 3PX 0.00000 0.00002 0.00002 0.00003 0.00000 98 3PY 0.00000 0.00000 0.00002 0.00005 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00004 -0.00004 -0.00013 0.00000 108 2PX 0.00000 -0.00002 -0.00001 -0.00003 0.00000 109 2PY 0.00000 -0.00017 -0.00016 -0.00045 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 111 3S -0.00005 0.00027 -0.00042 -0.00208 -0.00004 112 3PX 0.00006 -0.00090 0.00012 -0.00090 -0.00001 113 3PY 0.00003 -0.00145 -0.00079 -0.00358 -0.00010 114 3PZ 0.00000 0.00003 0.00000 0.00008 0.00022 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00001 0.00001 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00001 0.00001 0.00004 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 122 2S 0.00001 -0.00019 0.00000 -0.00037 -0.00002 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00000 0.00000 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00000 -0.00001 -0.00003 0.00000 0.00000 130 2S 0.00002 -0.00053 -0.00067 -0.00002 -0.00035 131 14 O 1S 0.00000 -0.00026 0.00000 -0.00142 -0.00048 132 2S -0.00014 0.00361 0.00000 0.01978 0.00639 133 2PX 0.00000 0.00000 0.01018 -0.00009 0.00009 134 2PY -0.00121 0.02987 -0.00008 0.04106 0.03974 135 2PZ -0.00040 0.01006 0.00009 0.03956 -0.00031 136 3S -0.00079 -0.00886 0.00000 0.00272 0.00310 137 3PX 0.00000 -0.00001 0.01535 -0.00013 0.00013 138 3PY -0.00602 0.04710 -0.00012 0.01855 0.03956 139 3PZ -0.00198 0.01582 0.00013 0.03857 0.00790 140 4XX 0.00001 -0.00082 0.00000 -0.00088 -0.00034 141 4YY -0.00035 0.00387 -0.00001 0.00264 0.00683 142 4ZZ 0.00001 0.00012 0.00001 0.00272 -0.00026 143 4XY 0.00000 0.00000 0.00275 -0.00001 0.00001 144 4XZ 0.00000 0.00000 0.00091 0.00000 0.00000 145 4YZ -0.00039 0.00231 0.00001 0.00474 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00003 -0.00011 -0.00001 -0.00001 148 2PX 0.00000 -0.00017 -0.00023 -0.00003 -0.00004 149 2PY 0.00000 -0.00003 -0.00010 0.00000 -0.00001 150 2PZ 0.00000 0.00000 0.00001 0.00000 -0.00001 151 3S 0.00009 -0.00118 -0.00195 -0.00089 -0.00003 152 3PX 0.00034 -0.00481 -0.00440 -0.00102 -0.00048 153 3PY 0.00007 -0.00046 -0.00022 0.00000 0.00000 154 3PZ 0.00000 0.00002 0.00005 -0.00002 -0.00040 155 4XX 0.00000 0.00001 0.00007 0.00001 0.00000 156 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 157 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00003 0.00002 0.00000 167 3PX 0.00000 0.00000 -0.00008 -0.00005 -0.00001 168 3PY 0.00000 0.00007 0.00014 0.00000 0.00002 169 3PZ 0.00000 -0.00002 -0.00002 0.00000 0.00001 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 -0.00001 -0.00003 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00001 -0.00027 -0.00003 0.00003 227 3PX 0.00001 -0.00047 -0.00079 0.00000 0.00047 228 3PY 0.00000 0.00010 0.00008 0.00009 -0.00006 229 3PZ 0.00000 0.00003 0.00010 0.00005 -0.00001 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00001 -0.00017 -0.00001 -0.00012 0.00003 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 -0.00001 -0.00001 -0.00001 -0.00004 248 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00003 249 2PY 0.00000 -0.00001 -0.00001 0.00000 -0.00002 250 2PZ 0.00000 -0.00003 -0.00003 -0.00003 -0.00007 251 3S 0.00002 -0.00089 -0.00049 -0.00039 -0.00235 252 3PX 0.00002 -0.00048 0.00012 -0.00008 -0.00082 253 3PY 0.00001 -0.00039 -0.00013 -0.00001 -0.00067 254 3PZ 0.00005 -0.00129 -0.00079 -0.00061 -0.00196 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00002 0.00003 0.00001 0.00006 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 259 4XZ 0.00000 0.00001 0.00000 0.00001 0.00004 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00014 0.00016 0.00004 0.00032 263 28 H 1S 0.00000 -0.00016 -0.00040 0.00002 -0.00015 264 2S 0.00022 -0.00315 -0.00508 -0.00059 -0.00145 21 22 23 24 25 21 3S 0.21111 22 3PX 0.00000 0.06619 23 3PY 0.00000 0.00000 0.04631 24 3PZ 0.00000 0.00000 0.00000 0.05936 25 4XX 0.00230 0.00000 0.00000 0.00000 0.00195 26 4YY -0.00154 0.00000 0.00000 0.00000 -0.00051 27 4ZZ -0.00072 0.00000 0.00000 0.00000 0.00009 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00022 -0.00037 -0.00035 0.00000 -0.00005 32 2S 0.00165 0.00481 0.00399 -0.00001 0.00082 33 2PX 0.01506 0.00063 0.01098 0.00033 -0.00042 34 2PY 0.01288 0.00924 -0.00027 0.00012 0.00210 35 2PZ 0.00064 0.00082 0.00038 0.00562 0.00008 36 3S -0.01119 0.00199 0.00157 0.00083 0.00077 37 3PX 0.00038 -0.00457 0.00275 0.00035 -0.00016 38 3PY 0.01107 0.00388 -0.00317 0.00027 0.00100 39 3PZ -0.00059 0.00115 0.00011 0.00654 0.00024 40 4XX 0.00159 -0.00017 0.00102 0.00003 0.00006 41 4YY 0.00023 0.00080 -0.00004 -0.00008 -0.00013 42 4ZZ -0.00055 -0.00026 -0.00038 0.00000 -0.00001 43 4XY 0.00084 0.00005 0.00000 0.00000 0.00001 44 4XZ 0.00001 0.00000 -0.00002 0.00014 0.00001 45 4YZ 0.00007 0.00004 0.00000 0.00016 0.00001 46 4 C 1S 0.00002 0.00010 0.00000 0.00001 0.00000 47 2S -0.00022 -0.00134 0.00001 -0.00008 0.00002 48 2PX -0.00313 -0.00243 -0.00130 0.00045 0.00007 49 2PY -0.00005 -0.00019 -0.00004 -0.00001 0.00000 50 2PZ -0.00021 -0.00005 -0.00009 0.00002 0.00003 51 3S -0.00415 -0.00045 -0.00052 -0.00007 0.00020 52 3PX -0.00634 -0.00115 -0.00212 -0.00057 0.00044 53 3PY 0.00058 -0.00121 -0.00042 -0.00008 -0.00005 54 3PZ -0.00012 0.00112 -0.00014 0.00065 0.00024 55 4XX 0.00002 0.00015 0.00002 0.00009 0.00000 56 4YY -0.00001 -0.00009 0.00000 -0.00002 0.00000 57 4ZZ -0.00002 0.00003 -0.00001 -0.00002 0.00000 58 4XY 0.00007 0.00009 -0.00005 0.00000 0.00000 59 4XZ -0.00003 0.00002 -0.00001 0.00001 0.00000 60 4YZ 0.00001 0.00002 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00002 0.00005 0.00002 0.00000 0.00000 63 2PX 0.00006 0.00008 0.00006 -0.00002 0.00000 64 2PY 0.00002 0.00001 0.00001 0.00000 0.00000 65 2PZ 0.00001 0.00001 0.00001 0.00000 0.00000 66 3S 0.00028 0.00026 0.00009 -0.00003 0.00000 67 3PX 0.00067 0.00029 0.00031 -0.00021 -0.00001 68 3PY 0.00016 0.00028 0.00002 -0.00004 0.00000 69 3PZ 0.00019 -0.00002 0.00011 -0.00004 0.00000 70 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 0.00006 0.00002 0.00000 0.00000 82 3PX -0.00006 -0.00001 0.00002 -0.00002 0.00000 83 3PY -0.00003 0.00005 -0.00004 0.00001 0.00000 84 3PZ 0.00000 -0.00001 0.00000 -0.00003 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00002 0.00002 0.00003 0.00000 0.00000 93 2PX 0.00003 0.00003 0.00002 0.00000 0.00000 94 2PY 0.00005 0.00006 0.00005 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 96 3S 0.00010 0.00009 0.00012 0.00000 0.00000 97 3PX 0.00024 0.00013 0.00018 0.00000 0.00000 98 3PY 0.00050 0.00034 0.00024 0.00001 0.00000 99 3PZ -0.00001 0.00000 0.00000 -0.00013 0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00002 -0.00002 0.00004 0.00000 0.00000 107 2S -0.00024 0.00033 -0.00040 -0.00003 0.00000 108 2PX -0.00023 0.00002 -0.00019 -0.00001 0.00000 109 2PY -0.00319 -0.00141 -0.00148 0.00010 -0.00001 110 2PZ 0.00001 -0.00002 -0.00001 0.00003 0.00000 111 3S 0.00051 -0.00007 -0.00018 -0.00001 -0.00010 112 3PX -0.00016 0.00031 -0.00078 -0.00003 -0.00002 113 3PY -0.00794 -0.00181 -0.00167 0.00004 -0.00026 114 3PZ 0.00007 -0.00002 -0.00004 0.00010 -0.00001 115 4XX 0.00006 0.00002 0.00002 0.00000 0.00000 116 4YY -0.00007 -0.00003 0.00003 0.00001 0.00000 117 4ZZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 118 4XY 0.00009 -0.00001 0.00010 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ -0.00001 -0.00001 -0.00001 0.00003 0.00000 121 9 H 1S -0.00002 0.00000 -0.00016 -0.00006 0.00000 122 2S -0.00138 0.00001 -0.00083 -0.00030 0.00001 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S -0.00002 -0.00002 -0.00003 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S -0.00002 -0.00005 -0.00001 0.00000 0.00000 129 13 H 1S -0.00005 -0.00048 -0.00003 -0.00007 0.00000 130 2S -0.00067 -0.00038 0.00003 -0.00053 -0.00002 131 14 O 1S 0.00109 0.00000 0.00056 0.00022 0.00000 132 2S -0.01564 0.00001 -0.00617 -0.00258 -0.00062 133 2PX -0.00003 0.01624 -0.00004 0.00003 0.00000 134 2PY 0.01065 -0.00004 -0.00147 0.00652 -0.00102 135 2PZ 0.00149 0.00003 0.00998 0.00986 -0.00041 136 3S -0.04323 0.00000 -0.01548 -0.00370 -0.00209 137 3PX -0.00009 0.03601 -0.00007 0.00006 0.00000 138 3PY 0.02062 -0.00009 0.00291 0.01168 -0.00357 139 3PZ 0.00094 0.00006 0.01795 0.02822 -0.00157 140 4XX -0.00098 0.00000 0.00035 0.00009 0.00005 141 4YY 0.00180 -0.00001 -0.00197 0.00214 -0.00018 142 4ZZ -0.00024 0.00001 0.00299 -0.00117 -0.00001 143 4XY 0.00000 0.00112 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00035 0.00000 0.00000 0.00000 145 4YZ 0.00029 0.00000 0.00004 0.00049 -0.00013 146 15 C 1S 0.00012 0.00016 0.00011 0.00001 0.00000 147 2S -0.00116 -0.00162 -0.00085 -0.00006 0.00001 148 2PX -0.00214 -0.00247 -0.00152 -0.00035 0.00004 149 2PY -0.00012 -0.00099 0.00000 0.00006 0.00001 150 2PZ 0.00000 0.00004 -0.00002 0.00037 0.00000 151 3S -0.00364 -0.00644 -0.00405 0.00004 -0.00005 152 3PX -0.01397 -0.00722 -0.00520 -0.00105 0.00004 153 3PY -0.00001 -0.00189 -0.00015 0.00017 0.00007 154 3PZ 0.00009 -0.00009 -0.00013 0.00141 0.00001 155 4XX 0.00022 0.00031 0.00013 0.00002 0.00000 156 4YY -0.00008 -0.00013 -0.00001 -0.00001 0.00000 157 4ZZ -0.00002 -0.00006 -0.00004 0.00000 0.00000 158 4XY 0.00001 0.00003 0.00000 0.00000 0.00000 159 4XZ 0.00001 0.00002 0.00000 -0.00001 0.00000 160 4YZ 0.00001 0.00001 0.00000 -0.00002 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00001 0.00000 -0.00001 0.00000 0.00000 163 2PX -0.00009 -0.00007 -0.00010 -0.00003 0.00000 164 2PY 0.00005 0.00014 -0.00003 0.00002 0.00000 165 2PZ -0.00002 -0.00002 -0.00001 0.00001 0.00000 166 3S 0.00007 0.00006 0.00000 -0.00004 0.00000 167 3PX -0.00091 -0.00070 -0.00039 -0.00022 0.00000 168 3PY 0.00052 0.00071 0.00008 0.00013 0.00000 169 3PZ -0.00031 -0.00023 -0.00008 0.00019 0.00000 170 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 182 3PX -0.00001 -0.00005 0.00007 0.00000 0.00000 183 3PY 0.00001 0.00000 -0.00001 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 197 3PX 0.00002 0.00002 0.00002 -0.00002 0.00000 198 3PY -0.00001 -0.00001 -0.00001 0.00001 0.00000 199 3PZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00005 0.00002 0.00003 0.00000 212 3PX 0.00011 0.00015 0.00000 -0.00003 0.00000 213 3PY -0.00005 0.00001 0.00000 0.00003 0.00000 214 3PZ -0.00005 -0.00002 0.00000 0.00001 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 222 2S -0.00005 -0.00008 -0.00007 -0.00005 0.00000 223 2PX -0.00010 -0.00040 -0.00018 0.00026 0.00000 224 2PY 0.00001 -0.00002 0.00002 -0.00005 0.00000 225 2PZ 0.00004 0.00003 0.00005 0.00002 0.00000 226 3S -0.00057 -0.00055 -0.00021 -0.00014 -0.00003 227 3PX -0.00085 0.00059 -0.00034 0.00177 -0.00004 228 3PY 0.00033 0.00000 0.00013 -0.00025 -0.00001 229 3PZ -0.00018 0.00079 0.00030 0.00015 -0.00002 230 4XX -0.00002 -0.00001 0.00000 0.00002 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00001 0.00000 0.00000 -0.00001 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ -0.00001 -0.00001 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 -0.00006 0.00009 -0.00006 0.00000 237 2S -0.00066 0.00072 -0.00001 0.00038 0.00002 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S -0.00003 -0.00004 0.00006 -0.00001 0.00000 246 26 O 1S 0.00004 0.00001 -0.00001 0.00002 0.00000 247 2S -0.00063 -0.00022 0.00005 -0.00036 0.00000 248 2PX -0.00078 0.00048 -0.00015 -0.00106 0.00000 249 2PY 0.00051 0.00030 0.00001 -0.00004 0.00000 250 2PZ -0.00109 -0.00007 -0.00027 -0.00067 0.00000 251 3S -0.00754 -0.00183 -0.00013 -0.00542 -0.00006 252 3PX -0.00413 0.00323 -0.00053 -0.00406 0.00000 253 3PY 0.00261 0.00122 0.00029 -0.00008 -0.00003 254 3PZ -0.00563 0.00001 -0.00058 -0.00226 -0.00015 255 4XX 0.00027 0.00008 0.00005 0.00038 0.00000 256 4YY -0.00001 -0.00003 -0.00001 -0.00009 0.00000 257 4ZZ 0.00019 0.00007 0.00002 0.00021 0.00000 258 4XY -0.00002 0.00001 0.00000 0.00000 0.00000 259 4XZ 0.00011 -0.00003 0.00003 0.00009 0.00000 260 4YZ 0.00001 0.00001 0.00000 0.00001 0.00000 261 27 H 1S 0.00023 0.00020 0.00004 0.00034 0.00000 262 2S 0.00176 0.00089 0.00019 0.00168 0.00001 263 28 H 1S -0.00411 -0.00529 -0.00020 -0.00305 0.00003 264 2S -0.01460 -0.01117 0.00026 -0.00566 0.00007 26 27 28 29 30 26 4YY 0.00349 27 4ZZ -0.00078 0.00225 28 4XY 0.00000 0.00000 0.00425 29 4XZ 0.00000 0.00000 0.00000 0.00232 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00285 31 3 C 1S -0.00004 0.00000 -0.00016 0.00000 -0.00001 32 2S 0.00070 -0.00037 0.00227 -0.00004 0.00015 33 2PX 0.00229 -0.00059 0.00230 -0.00007 0.00036 34 2PY -0.00028 -0.00039 0.00190 -0.00010 0.00013 35 2PZ -0.00002 0.00001 0.00021 0.00081 0.00068 36 3S 0.00209 -0.00182 0.00181 -0.00015 0.00010 37 3PX 0.00295 -0.00184 0.00014 0.00000 0.00022 38 3PY 0.00018 -0.00101 0.00001 -0.00011 0.00000 39 3PZ -0.00019 -0.00001 0.00008 0.00077 0.00052 40 4XX -0.00011 0.00000 0.00012 0.00000 0.00000 41 4YY 0.00008 -0.00003 0.00002 -0.00001 0.00000 42 4ZZ -0.00001 0.00001 -0.00004 0.00000 0.00000 43 4XY 0.00006 -0.00004 0.00020 -0.00001 0.00000 44 4XZ 0.00000 0.00000 0.00000 -0.00004 -0.00005 45 4YZ 0.00001 0.00000 0.00000 -0.00003 -0.00004 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX -0.00001 0.00001 -0.00001 0.00004 0.00001 49 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 50 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 51 3S -0.00004 -0.00002 0.00003 0.00000 0.00002 52 3PX -0.00037 0.00030 -0.00025 0.00035 0.00003 53 3PY -0.00001 0.00002 0.00003 -0.00002 0.00002 54 3PZ -0.00013 0.00001 -0.00002 0.00002 0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 0.00000 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00001 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 109 2PY 0.00005 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 111 3S 0.00013 0.00000 -0.00003 0.00000 0.00001 112 3PX 0.00002 0.00001 0.00001 0.00000 -0.00001 113 3PY 0.00030 0.00002 -0.00001 0.00001 0.00002 114 3PZ 0.00004 -0.00001 -0.00001 0.00003 0.00013 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S -0.00004 0.00000 0.00000 0.00000 0.00000 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00000 0.00000 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00002 0.00003 0.00003 0.00000 131 14 O 1S -0.00032 0.00000 0.00000 0.00000 -0.00033 132 2S 0.00386 -0.00018 0.00001 0.00000 0.00343 133 2PX 0.00002 -0.00001 0.00625 0.00221 -0.00001 134 2PY -0.00080 0.00168 0.00001 0.00000 0.00683 135 2PZ 0.00802 0.00001 -0.00001 0.00000 -0.00031 136 3S 0.00419 0.00027 0.00000 0.00000 0.00172 137 3PX 0.00002 -0.00002 0.00740 0.00266 0.00000 138 3PY -0.00182 0.00392 0.00000 0.00000 0.00154 139 3PZ 0.00881 -0.00244 -0.00001 0.00000 0.00081 140 4XX -0.00005 0.00001 0.00000 0.00000 -0.00006 141 4YY -0.00016 0.00036 0.00000 0.00000 0.00061 142 4ZZ 0.00056 -0.00012 0.00000 0.00000 -0.00001 143 4XY 0.00000 0.00000 0.00043 0.00021 0.00000 144 4XZ 0.00000 0.00000 0.00020 0.00000 0.00000 145 4YZ 0.00051 -0.00001 0.00000 0.00000 0.00001 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00001 0.00000 0.00000 148 2PX 0.00001 -0.00001 0.00005 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00018 -0.00014 0.00017 0.00000 0.00000 152 3PX 0.00053 -0.00051 0.00007 -0.00004 -0.00001 153 3PY 0.00001 -0.00006 0.00001 0.00000 0.00000 154 3PZ -0.00002 0.00001 0.00002 -0.00009 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY -0.00001 0.00001 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00002 -0.00001 0.00000 0.00001 0.00000 227 3PX 0.00002 -0.00001 -0.00004 0.00007 0.00000 228 3PY 0.00000 0.00001 -0.00002 -0.00001 0.00000 229 3PZ 0.00000 0.00001 -0.00002 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S -0.00001 0.00001 0.00002 0.00003 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00001 0.00000 0.00000 0.00001 251 3S 0.00008 -0.00003 -0.00004 -0.00009 0.00001 252 3PX 0.00000 -0.00003 0.00000 0.00002 -0.00002 253 3PY 0.00001 0.00004 0.00000 -0.00004 0.00001 254 3PZ 0.00011 0.00025 -0.00005 -0.00005 0.00011 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00001 0.00000 0.00000 0.00001 0.00000 263 28 H 1S -0.00001 0.00002 0.00004 0.00003 0.00003 264 2S 0.00011 -0.00009 0.00023 -0.00009 0.00013 31 32 33 34 35 31 3 C 1S 2.05950 32 2S -0.02077 0.29673 33 2PX 0.00000 0.00000 0.37974 34 2PY 0.00000 0.00000 0.00000 0.39381 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.33383 36 3S -0.02736 0.18541 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.10128 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.08786 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.12595 40 4XX -0.00046 0.00330 0.00000 0.00000 0.00000 41 4YY -0.00053 0.00505 0.00000 0.00000 0.00000 42 4ZZ -0.00003 -0.00537 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00048 -0.00177 -0.00026 -0.00048 47 2S -0.00048 0.01014 0.02635 0.00392 0.00727 48 2PX -0.00183 0.02756 0.03713 0.00800 0.02672 49 2PY -0.00023 0.00359 0.00788 -0.00055 0.00411 50 2PZ -0.00048 0.00721 0.02601 0.00400 0.00183 51 3S -0.00078 0.01488 0.01677 0.00354 0.00615 52 3PX -0.00091 0.01176 0.00567 0.00078 0.01455 53 3PY -0.00060 0.00661 0.00193 -0.00411 0.00264 54 3PZ -0.00044 0.00502 0.01329 0.00204 0.01155 55 4XX -0.00014 0.00189 0.00061 0.00091 0.00237 56 4YY 0.00001 -0.00056 -0.00095 0.00004 -0.00018 57 4ZZ 0.00000 0.00000 0.00056 0.00009 -0.00011 58 4XY -0.00007 0.00076 0.00111 0.00032 0.00071 59 4XZ -0.00010 0.00108 0.00186 0.00052 0.00003 60 4YZ -0.00001 0.00013 0.00050 0.00010 0.00001 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00006 -0.00026 0.00000 -0.00004 63 2PX 0.00000 -0.00026 -0.00060 0.00001 -0.00016 64 2PY 0.00000 -0.00002 -0.00007 0.00000 -0.00001 65 2PZ 0.00000 -0.00003 -0.00011 0.00001 0.00000 66 3S 0.00009 -0.00203 -0.00117 0.00013 -0.00030 67 3PX 0.00023 -0.00423 -0.00251 0.00021 -0.00149 68 3PY 0.00002 -0.00017 -0.00022 0.00005 0.00006 69 3PZ 0.00004 -0.00070 -0.00100 0.00014 -0.00020 70 4XX 0.00000 0.00002 0.00009 0.00000 0.00005 71 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 72 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 74 4XZ 0.00000 0.00001 0.00006 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00001 -0.00001 -0.00001 0.00000 78 2PX 0.00000 -0.00001 0.00003 -0.00006 -0.00002 79 2PY 0.00000 -0.00001 -0.00006 0.00001 0.00000 80 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 81 3S 0.00001 -0.00004 -0.00050 -0.00039 -0.00003 82 3PX 0.00000 0.00017 0.00055 -0.00111 -0.00051 83 3PY 0.00001 0.00007 -0.00095 0.00020 0.00016 84 3PZ 0.00000 0.00001 -0.00051 0.00015 -0.00101 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00007 -0.00002 -0.00028 0.00000 93 2PX 0.00000 -0.00006 0.00000 -0.00019 0.00000 94 2PY 0.00000 -0.00026 -0.00004 -0.00068 -0.00001 95 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 96 3S 0.00006 -0.00164 -0.00031 -0.00150 -0.00002 97 3PX 0.00003 -0.00041 0.00008 -0.00100 0.00003 98 3PY 0.00020 -0.00393 -0.00032 -0.00347 -0.00009 99 3PZ 0.00000 -0.00002 0.00004 -0.00003 -0.00081 100 4XX 0.00000 -0.00001 0.00000 -0.00002 0.00000 101 4YY 0.00000 0.00003 0.00000 0.00014 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 106 8 C 1S 0.00000 -0.00048 -0.00003 -0.00232 -0.00017 107 2S -0.00048 0.01019 0.00051 0.03441 0.00261 108 2PX -0.00003 0.00040 0.00303 0.00072 0.00071 109 2PY -0.00241 0.03583 0.00108 0.07793 0.01083 110 2PZ -0.00015 0.00216 0.00073 0.00991 0.00973 111 3S -0.00054 0.01180 0.00033 0.02573 0.00259 112 3PX -0.00014 0.00148 0.00148 -0.00011 0.00062 113 3PY -0.00207 0.02239 0.00048 0.01766 0.00543 114 3PZ -0.00021 0.00238 0.00058 0.00473 0.01947 115 4XX 0.00000 -0.00058 0.00002 -0.00129 -0.00006 116 4YY -0.00026 0.00346 0.00014 0.00459 0.00129 117 4ZZ 0.00000 -0.00027 0.00000 -0.00048 0.00006 118 4XY -0.00001 0.00013 0.00151 0.00024 0.00006 119 4XZ 0.00000 -0.00001 0.00012 -0.00003 0.00002 120 4YZ -0.00004 0.00047 0.00005 0.00126 0.00115 121 9 H 1S 0.00000 -0.00016 -0.00013 -0.00044 -0.00008 122 2S 0.00010 -0.00160 -0.00148 -0.00452 -0.00098 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00008 0.00000 0.00031 0.00001 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00007 0.00027 0.00000 0.00005 129 13 H 1S 0.00000 -0.00017 -0.00029 -0.00025 -0.00011 130 2S 0.00013 -0.00205 -0.00226 -0.00362 -0.00100 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00001 -0.00002 -0.00004 0.00000 133 2PX 0.00000 -0.00003 -0.00003 -0.00014 0.00001 134 2PY 0.00000 -0.00006 -0.00010 -0.00018 -0.00001 135 2PZ 0.00000 0.00000 0.00001 0.00000 -0.00001 136 3S 0.00000 -0.00005 0.00009 -0.00089 -0.00019 137 3PX 0.00006 -0.00134 -0.00035 -0.00344 0.00023 138 3PY 0.00006 -0.00174 -0.00194 -0.00324 -0.00048 139 3PZ -0.00001 0.00019 0.00037 0.00007 -0.00035 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 -0.00001 -0.00001 -0.00001 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 -0.00005 -0.00005 0.00000 -0.00002 152 3PX 0.00000 0.00003 0.00005 0.00000 -0.00001 153 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 154 3PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00001 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 168 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00001 0.00000 0.00000 227 3PX 0.00000 0.00001 0.00002 0.00001 -0.00001 228 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00001 0.00001 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00001 0.00007 0.00000 -0.00013 252 3PX 0.00000 -0.00004 0.00004 0.00000 -0.00007 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00001 0.00000 -0.00007 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 -0.00001 0.00000 0.00001 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00007 0.00020 0.00007 0.00000 36 37 38 39 40 36 3S 0.23454 37 3PX 0.00000 0.12070 38 3PY 0.00000 0.00000 0.08240 39 3PZ 0.00000 0.00000 0.00000 0.16232 40 4XX 0.00243 0.00000 0.00000 0.00000 0.00126 41 4YY 0.00321 0.00000 0.00000 0.00000 -0.00024 42 4ZZ -0.00342 0.00000 0.00000 0.00000 -0.00010 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00061 -0.00230 -0.00011 -0.00058 -0.00014 47 2S 0.01482 0.02644 -0.00001 0.00626 0.00192 48 2PX 0.02056 0.00354 0.00169 0.01269 0.00040 49 2PY 0.00018 -0.00033 -0.00277 0.00183 0.00102 50 2PZ 0.00399 0.01383 0.00246 0.01300 0.00181 51 3S 0.02219 0.01144 0.00069 0.00568 0.00164 52 3PX -0.00276 -0.00126 -0.00289 0.01206 -0.00027 53 3PY 0.00291 -0.00440 -0.00969 0.00176 0.00056 54 3PZ -0.00014 0.01184 0.00204 0.02915 0.00137 55 4XX 0.00148 -0.00079 0.00038 0.00175 0.00016 56 4YY -0.00080 -0.00016 -0.00045 0.00008 -0.00010 57 4ZZ 0.00012 0.00109 0.00035 -0.00091 -0.00003 58 4XY 0.00028 0.00005 0.00024 0.00016 -0.00005 59 4XZ 0.00037 0.00013 0.00013 0.00041 0.00007 60 4YZ 0.00004 0.00013 0.00010 0.00004 0.00001 61 5 C 1S 0.00007 0.00014 0.00000 0.00002 0.00000 62 2S -0.00186 -0.00318 -0.00003 -0.00051 0.00001 63 2PX -0.00125 -0.00117 0.00016 -0.00097 0.00005 64 2PY -0.00019 -0.00015 0.00034 0.00009 0.00002 65 2PZ -0.00045 -0.00058 0.00025 -0.00021 0.00005 66 3S -0.00907 -0.00102 0.00074 -0.00060 0.00005 67 3PX -0.00424 0.00174 0.00081 -0.00276 0.00000 68 3PY -0.00112 -0.00070 0.00025 0.00026 0.00008 69 3PZ -0.00178 -0.00106 0.00074 -0.00235 0.00035 70 4XX 0.00004 0.00013 -0.00004 0.00028 0.00000 71 4YY -0.00006 -0.00003 0.00001 -0.00014 0.00000 72 4ZZ 0.00003 0.00006 -0.00001 0.00001 0.00000 73 4XY -0.00001 -0.00003 -0.00006 0.00003 0.00000 74 4XZ -0.00001 0.00015 -0.00002 0.00003 0.00000 75 4YZ 0.00000 0.00005 0.00002 0.00001 0.00000 76 6 C 1S 0.00001 0.00001 0.00001 0.00000 0.00000 77 2S -0.00007 0.00022 0.00012 0.00001 0.00000 78 2PX -0.00058 0.00082 -0.00161 -0.00042 0.00000 79 2PY -0.00045 -0.00136 0.00051 0.00007 0.00000 80 2PZ -0.00006 -0.00050 0.00023 -0.00096 0.00000 81 3S 0.00039 -0.00139 -0.00083 -0.00009 0.00000 82 3PX -0.00075 0.00170 -0.00561 -0.00195 0.00001 83 3PY -0.00140 -0.00458 0.00064 0.00053 -0.00005 84 3PZ -0.00017 -0.00229 0.00102 -0.00640 0.00001 85 4XX 0.00001 0.00007 -0.00007 0.00000 0.00000 86 4YY -0.00001 -0.00007 0.00006 -0.00001 0.00000 87 4ZZ 0.00001 -0.00002 -0.00001 0.00000 0.00000 88 4XY 0.00002 0.00001 0.00002 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 91 7 C 1S 0.00005 0.00002 0.00013 0.00000 0.00000 92 2S -0.00165 -0.00043 -0.00308 -0.00001 0.00000 93 2PX -0.00034 0.00005 -0.00009 0.00004 0.00000 94 2PY -0.00097 0.00047 -0.00114 -0.00007 -0.00001 95 2PZ -0.00002 0.00005 -0.00008 -0.00055 0.00000 96 3S -0.00517 -0.00072 -0.00297 -0.00007 -0.00003 97 3PX -0.00045 0.00044 -0.00151 0.00011 0.00003 98 3PY -0.00223 0.00156 0.00019 -0.00025 -0.00008 99 3PZ -0.00010 0.00018 -0.00015 -0.00383 0.00001 100 4XX -0.00007 -0.00002 0.00002 -0.00003 0.00000 101 4YY 0.00005 -0.00013 0.00040 0.00002 0.00000 102 4ZZ 0.00003 0.00009 -0.00016 0.00001 0.00000 103 4XY 0.00001 0.00000 0.00006 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00001 0.00008 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00009 0.00000 106 8 C 1S -0.00048 0.00007 -0.00320 -0.00013 0.00000 107 2S 0.01248 -0.00101 0.03394 0.00129 -0.00053 108 2PX 0.00002 -0.00063 -0.00072 0.00060 0.00002 109 2PY 0.02355 0.00052 0.01241 0.00489 -0.00115 110 2PZ 0.00034 0.00073 0.00449 0.02060 -0.00004 111 3S 0.01080 -0.00138 0.02535 0.00185 -0.00120 112 3PX 0.00100 -0.00679 -0.00157 0.00079 -0.00005 113 3PY 0.01446 0.00035 0.00140 0.00421 -0.00187 114 3PZ -0.00010 0.00089 0.00358 0.03812 0.00006 115 4XX -0.00116 -0.00011 -0.00079 -0.00009 0.00002 116 4YY 0.00277 0.00008 0.00109 0.00083 -0.00005 117 4ZZ -0.00058 0.00005 -0.00018 -0.00030 0.00001 118 4XY 0.00004 0.00101 0.00003 0.00002 0.00000 119 4XZ -0.00001 0.00013 0.00001 0.00001 0.00000 120 4YZ 0.00014 0.00002 0.00016 0.00118 -0.00001 121 9 H 1S -0.00075 -0.00334 0.00098 -0.00075 0.00001 122 2S -0.00258 -0.00413 -0.00366 -0.00163 0.00022 123 10 H 1S 0.00000 -0.00003 0.00004 0.00001 0.00000 124 2S 0.00014 -0.00011 0.00123 0.00004 0.00000 125 11 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 126 2S 0.00013 0.00001 0.00003 0.00000 0.00000 127 12 H 1S 0.00000 0.00003 0.00000 0.00002 0.00000 128 2S 0.00021 0.00119 -0.00003 0.00025 -0.00001 129 13 H 1S -0.00008 0.00102 -0.00348 -0.00003 -0.00002 130 2S -0.00460 -0.00119 -0.00893 -0.00080 -0.00040 131 14 O 1S 0.00004 -0.00003 0.00004 0.00001 0.00000 132 2S -0.00071 0.00038 -0.00076 -0.00016 0.00000 133 2PX -0.00273 -0.00010 -0.00409 0.00015 0.00000 134 2PY -0.00164 -0.00444 0.00008 0.00018 0.00000 135 2PZ 0.00036 0.00031 0.00030 -0.00065 0.00000 136 3S -0.00164 0.00318 -0.00258 -0.00132 0.00000 137 3PX -0.01442 0.00049 -0.01607 0.00082 -0.00007 138 3PY -0.00778 -0.01459 -0.00070 -0.00032 -0.00002 139 3PZ 0.00204 0.00164 0.00103 -0.00370 -0.00004 140 4XX 0.00001 0.00004 -0.00006 -0.00002 0.00000 141 4YY -0.00017 -0.00060 0.00022 0.00005 0.00000 142 4ZZ 0.00002 0.00011 -0.00010 0.00002 0.00000 143 4XY -0.00018 0.00001 -0.00018 0.00000 0.00000 144 4XZ -0.00002 0.00000 -0.00002 0.00001 0.00000 145 4YZ -0.00001 -0.00003 0.00001 -0.00006 0.00000 146 15 C 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 147 2S 0.00008 0.00007 0.00000 0.00002 0.00000 148 2PX 0.00004 0.00007 0.00000 0.00005 0.00000 149 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 150 2PZ -0.00001 0.00001 0.00000 -0.00001 0.00000 151 3S 0.00007 0.00037 0.00001 -0.00011 -0.00001 152 3PX 0.00140 0.00295 -0.00002 0.00014 -0.00001 153 3PY -0.00001 -0.00003 -0.00032 0.00000 0.00000 154 3PZ -0.00023 -0.00007 0.00000 -0.00018 0.00000 155 4XX -0.00001 -0.00007 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 157 4ZZ 0.00001 0.00001 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00001 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00005 -0.00001 0.00001 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 166 3S -0.00001 -0.00004 0.00005 0.00001 0.00000 167 3PX -0.00012 0.00048 -0.00010 0.00014 0.00000 168 3PY -0.00005 -0.00010 0.00000 -0.00001 0.00000 169 3PZ -0.00001 0.00010 -0.00004 -0.00003 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX -0.00001 -0.00001 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 212 3PX 0.00002 -0.00002 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00001 0.00000 0.00000 0.00000 223 2PX 0.00001 0.00003 0.00000 -0.00001 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 226 3S 0.00008 0.00033 0.00001 0.00005 0.00000 227 3PX 0.00051 0.00040 0.00010 -0.00020 0.00000 228 3PY 0.00006 0.00008 -0.00006 -0.00001 0.00000 229 3PZ 0.00007 0.00002 0.00002 0.00001 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 237 2S 0.00013 0.00024 0.00010 -0.00006 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S -0.00001 0.00002 0.00002 0.00001 0.00000 246 26 O 1S 0.00000 -0.00001 0.00000 0.00001 0.00000 247 2S -0.00002 0.00011 0.00000 -0.00021 0.00000 248 2PX 0.00004 0.00015 0.00000 0.00010 0.00000 249 2PY -0.00001 0.00001 -0.00001 0.00000 0.00000 250 2PZ 0.00007 0.00011 0.00001 -0.00016 0.00000 251 3S 0.00099 0.00175 0.00005 -0.00088 0.00000 252 3PX 0.00043 0.00062 -0.00001 0.00095 -0.00001 253 3PY -0.00007 0.00007 -0.00004 0.00000 0.00000 254 3PZ 0.00088 0.00088 0.00005 -0.00064 0.00000 255 4XX -0.00001 -0.00002 0.00000 -0.00001 0.00000 256 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 257 4ZZ -0.00005 -0.00005 0.00000 -0.00006 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ -0.00003 -0.00003 0.00000 0.00003 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 262 2S -0.00015 -0.00032 -0.00001 0.00010 0.00000 263 28 H 1S 0.00000 0.00016 0.00003 0.00002 0.00000 264 2S 0.00062 0.00248 0.00062 0.00019 0.00000 41 42 43 44 45 41 4YY 0.00147 42 4ZZ -0.00017 0.00066 43 4XY 0.00000 0.00000 0.00200 44 4XZ 0.00000 0.00000 0.00000 0.00071 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00089 46 4 C 1S 0.00001 0.00000 -0.00007 -0.00010 -0.00001 47 2S -0.00054 0.00004 0.00075 0.00108 0.00013 48 2PX -0.00082 0.00056 0.00117 0.00168 0.00047 49 2PY 0.00004 0.00008 0.00042 0.00049 0.00012 50 2PZ -0.00015 -0.00009 0.00062 0.00002 0.00001 51 3S -0.00108 0.00013 0.00027 0.00036 0.00003 52 3PX -0.00137 0.00133 0.00007 0.00013 0.00008 53 3PY -0.00038 0.00011 0.00054 0.00011 0.00013 54 3PZ -0.00005 -0.00075 0.00014 0.00028 0.00010 55 4XX -0.00006 -0.00005 -0.00002 0.00008 -0.00005 56 4YY 0.00003 0.00001 -0.00001 -0.00001 0.00000 57 4ZZ 0.00000 0.00000 -0.00002 0.00000 0.00000 58 4XY 0.00000 0.00001 -0.00007 0.00004 -0.00002 59 4XZ -0.00003 0.00000 0.00001 0.00001 0.00000 60 4YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00001 0.00000 0.00000 63 2PX -0.00001 0.00001 0.00004 0.00004 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 66 3S -0.00004 0.00002 0.00002 -0.00001 0.00001 67 3PX -0.00014 0.00030 0.00009 0.00010 -0.00002 68 3PY -0.00001 -0.00003 -0.00005 -0.00001 -0.00003 69 3PZ 0.00006 -0.00016 -0.00005 0.00004 -0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 0.00000 0.00001 0.00000 0.00000 82 3PX -0.00005 0.00000 0.00000 0.00000 0.00000 83 3PY 0.00002 0.00000 0.00000 -0.00001 0.00000 84 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00001 0.00000 0.00002 0.00000 0.00000 93 2PX 0.00003 0.00000 0.00001 0.00000 0.00000 94 2PY 0.00006 0.00000 0.00007 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 96 3S 0.00005 0.00000 0.00004 0.00000 0.00000 97 3PX 0.00016 -0.00011 -0.00001 0.00000 -0.00001 98 3PY 0.00015 0.00010 0.00013 0.00000 0.00000 99 3PZ 0.00002 -0.00001 -0.00001 -0.00003 0.00021 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S -0.00026 0.00000 -0.00001 0.00000 -0.00005 107 2S 0.00348 -0.00023 0.00014 -0.00001 0.00048 108 2PX 0.00023 0.00000 0.00166 0.00010 0.00002 109 2PY 0.00384 -0.00038 0.00032 -0.00002 0.00121 110 2PZ 0.00101 0.00005 0.00004 0.00003 0.00098 111 3S 0.00296 -0.00044 0.00005 -0.00001 0.00016 112 3PX 0.00007 0.00002 0.00121 0.00004 0.00001 113 3PY 0.00165 -0.00020 0.00002 -0.00001 0.00012 114 3PZ 0.00061 -0.00033 0.00001 0.00003 0.00102 115 4XX -0.00007 0.00001 0.00000 0.00000 0.00001 116 4YY 0.00037 -0.00008 0.00000 0.00000 0.00006 117 4ZZ -0.00006 0.00000 0.00001 0.00000 0.00001 118 4XY -0.00002 0.00000 -0.00026 -0.00002 0.00002 119 4XZ 0.00000 0.00000 -0.00004 0.00000 0.00000 120 4YZ 0.00002 -0.00001 0.00002 -0.00001 -0.00006 121 9 H 1S -0.00002 0.00001 0.00006 0.00001 0.00002 122 2S -0.00041 0.00011 0.00016 0.00004 0.00002 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00004 0.00000 0.00005 0.00000 0.00002 130 2S 0.00041 0.00002 0.00013 -0.00004 0.00006 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00001 0.00000 0.00000 0.00000 0.00001 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00003 0.00001 0.00001 0.00000 0.00000 137 3PX 0.00018 0.00002 -0.00002 0.00000 -0.00001 138 3PY 0.00015 -0.00002 0.00001 0.00005 0.00010 139 3PZ 0.00011 0.00000 0.00000 0.00002 0.00005 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00001 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.06034 47 2S -0.02132 0.30235 48 2PX 0.00000 0.00000 0.38750 49 2PY 0.00000 0.00000 0.00000 0.40851 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.29072 51 3S -0.02602 0.17520 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.08814 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.12320 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.11110 55 4XX -0.00040 0.00267 0.00000 0.00000 0.00000 56 4YY -0.00076 0.00838 0.00000 0.00000 0.00000 57 4ZZ -0.00002 -0.00586 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00052 -0.00152 -0.00114 -0.00008 62 2S -0.00052 0.01065 0.02203 0.01637 0.00118 63 2PX -0.00149 0.02212 0.01789 0.03268 0.00547 64 2PY -0.00113 0.01679 0.03409 0.00834 0.00024 65 2PZ -0.00008 0.00115 0.00547 0.00010 0.01323 66 3S -0.00051 0.01367 0.01813 0.01092 0.00098 67 3PX -0.00170 0.02052 0.00011 0.00948 0.00393 68 3PY -0.00035 0.00370 0.01201 -0.00348 -0.00090 69 3PZ -0.00014 0.00169 0.00390 -0.00117 0.02456 70 4XX -0.00007 0.00090 -0.00057 0.00281 0.00024 71 4YY -0.00003 0.00019 0.00138 -0.00072 0.00008 72 4ZZ 0.00000 -0.00031 -0.00032 -0.00032 0.00005 73 4XY -0.00021 0.00223 0.00214 0.00104 0.00025 74 4XZ -0.00001 0.00005 0.00009 0.00020 0.00098 75 4YZ -0.00001 0.00016 0.00039 0.00009 0.00055 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00007 -0.00006 -0.00027 0.00000 78 2PX 0.00000 -0.00002 -0.00001 -0.00004 0.00000 79 2PY 0.00000 -0.00030 -0.00021 -0.00072 0.00000 80 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 81 3S 0.00005 -0.00167 -0.00044 -0.00132 0.00001 82 3PX 0.00002 -0.00066 0.00007 -0.00006 0.00003 83 3PY 0.00020 -0.00388 -0.00144 -0.00306 0.00000 84 3PZ 0.00000 -0.00001 0.00002 -0.00007 -0.00039 85 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 86 4YY 0.00000 0.00001 0.00003 0.00006 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00002 0.00001 0.00007 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 0.00000 -0.00002 0.00000 93 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 94 2PY 0.00000 -0.00002 0.00000 -0.00005 -0.00003 95 2PZ 0.00000 0.00000 0.00000 -0.00003 0.00000 96 3S 0.00001 -0.00006 -0.00003 -0.00114 -0.00009 97 3PX 0.00000 -0.00001 -0.00045 0.00009 -0.00009 98 3PY 0.00002 0.00016 0.00002 -0.00094 -0.00062 99 3PZ 0.00000 -0.00003 -0.00009 -0.00060 -0.00073 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00006 -0.00012 -0.00013 -0.00005 108 2PX 0.00000 -0.00007 -0.00006 -0.00006 -0.00007 109 2PY 0.00000 -0.00020 -0.00024 -0.00024 -0.00012 110 2PZ 0.00000 -0.00004 -0.00008 -0.00007 0.00002 111 3S 0.00003 -0.00136 -0.00082 -0.00078 -0.00012 112 3PX 0.00007 -0.00172 -0.00008 0.00067 -0.00069 113 3PY 0.00008 -0.00179 -0.00163 -0.00165 -0.00094 114 3PZ 0.00003 -0.00068 -0.00074 -0.00045 -0.00014 115 4XX 0.00000 0.00000 0.00001 0.00001 0.00000 116 4YY 0.00000 -0.00001 -0.00003 0.00000 0.00001 117 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 118 4XY 0.00000 0.00002 0.00003 0.00003 0.00004 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 120 4YZ 0.00000 0.00000 0.00004 0.00002 -0.00002 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00006 0.00017 0.00010 0.00006 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00000 0.00000 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00008 0.00011 0.00022 0.00000 127 12 H 1S 0.00000 -0.00018 -0.00053 -0.00005 -0.00006 128 2S 0.00014 -0.00205 -0.00577 -0.00064 -0.00069 129 13 H 1S -0.00195 0.03105 0.00069 0.08861 0.00608 130 2S -0.00085 0.00974 0.00028 0.03922 0.00280 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 -0.00005 -0.00021 -0.00007 0.00000 137 3PX 0.00001 -0.00028 0.00000 -0.00059 -0.00004 138 3PY 0.00000 -0.00004 -0.00036 0.00005 0.00003 139 3PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00016 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.17144 52 3PX 0.00000 0.08953 53 3PY 0.00000 0.00000 0.13245 54 3PZ 0.00000 0.00000 0.00000 0.14329 55 4XX 0.00181 0.00000 0.00000 0.00000 0.00144 56 4YY 0.00611 0.00000 0.00000 0.00000 -0.00043 57 4ZZ -0.00382 0.00000 0.00000 0.00000 -0.00011 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.00044 -0.00081 -0.00139 0.00001 -0.00007 62 2S 0.01365 0.00870 0.01680 -0.00017 0.00094 63 2PX 0.01071 0.00009 0.00806 0.00377 -0.00067 64 2PY 0.01037 0.01238 -0.00300 -0.00077 0.00239 65 2PZ 0.00051 0.00339 -0.00130 0.02394 0.00023 66 3S 0.01194 0.00515 0.01115 -0.00036 0.00087 67 3PX 0.00922 -0.00377 -0.00036 0.00452 -0.00142 68 3PY 0.00152 0.00431 -0.01048 -0.00181 0.00187 69 3PZ 0.00092 0.00407 -0.00247 0.04650 0.00027 70 4XX 0.00098 -0.00109 0.00271 0.00023 0.00012 71 4YY 0.00012 0.00127 -0.00138 0.00003 -0.00023 72 4ZZ -0.00053 -0.00009 -0.00031 -0.00015 0.00001 73 4XY 0.00061 0.00003 -0.00003 0.00006 0.00002 74 4XZ 0.00002 0.00000 0.00006 0.00081 0.00003 75 4YZ 0.00004 0.00010 0.00000 0.00047 -0.00002 76 6 C 1S 0.00005 0.00002 0.00020 0.00000 0.00000 77 2S -0.00169 -0.00036 -0.00434 -0.00002 -0.00001 78 2PX -0.00029 0.00003 -0.00003 0.00002 0.00000 79 2PY -0.00065 -0.00117 -0.00318 0.00000 -0.00002 80 2PZ -0.00002 0.00003 -0.00008 -0.00027 0.00000 81 3S -0.00511 -0.00070 -0.00391 -0.00001 -0.00007 82 3PX -0.00069 0.00014 0.00141 0.00011 -0.00003 83 3PY -0.00188 -0.00271 -0.00176 -0.00001 -0.00009 84 3PZ -0.00009 0.00012 -0.00026 -0.00240 -0.00003 85 4XX -0.00005 0.00005 -0.00010 0.00001 0.00000 86 4YY 0.00004 0.00011 0.00011 0.00002 0.00000 87 4ZZ 0.00002 -0.00009 0.00014 -0.00001 0.00000 88 4XY 0.00003 -0.00001 0.00011 -0.00002 0.00000 89 4XZ 0.00000 0.00000 0.00000 -0.00004 0.00000 90 4YZ 0.00000 -0.00001 0.00001 0.00020 0.00000 91 7 C 1S 0.00001 0.00000 0.00003 0.00000 0.00000 92 2S -0.00009 -0.00002 -0.00002 -0.00002 0.00000 93 2PX -0.00004 -0.00037 0.00007 -0.00009 0.00000 94 2PY -0.00100 0.00002 -0.00126 -0.00062 0.00000 95 2PZ -0.00012 -0.00009 -0.00065 -0.00070 0.00000 96 3S 0.00026 -0.00010 -0.00345 -0.00025 -0.00001 97 3PX -0.00011 -0.00233 0.00038 -0.00037 0.00000 98 3PY -0.00271 0.00017 -0.00443 -0.00242 -0.00001 99 3PZ -0.00045 -0.00038 -0.00250 -0.00559 0.00000 100 4XX -0.00001 0.00000 -0.00003 0.00001 0.00000 101 4YY 0.00005 0.00000 0.00007 -0.00002 0.00000 102 4ZZ -0.00001 0.00000 -0.00001 0.00000 0.00000 103 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 106 8 C 1S 0.00005 0.00003 0.00014 0.00002 0.00000 107 2S -0.00147 -0.00064 -0.00293 -0.00051 -0.00001 108 2PX -0.00031 -0.00030 0.00039 -0.00084 -0.00001 109 2PY -0.00117 -0.00112 -0.00087 -0.00082 -0.00003 110 2PZ -0.00003 -0.00072 -0.00031 -0.00016 0.00002 111 3S -0.00510 -0.00164 -0.00401 -0.00013 -0.00009 112 3PX -0.00132 -0.00006 0.00444 -0.00223 -0.00009 113 3PY -0.00203 -0.00274 -0.00157 -0.00191 -0.00035 114 3PZ 0.00007 -0.00201 -0.00023 -0.00270 0.00028 115 4XX -0.00001 0.00014 -0.00001 -0.00008 0.00000 116 4YY -0.00006 -0.00026 -0.00001 0.00014 0.00000 117 4ZZ 0.00004 0.00008 0.00006 0.00000 0.00000 118 4XY 0.00003 0.00005 0.00002 0.00014 0.00000 119 4XZ 0.00000 0.00001 -0.00003 -0.00001 0.00000 120 4YZ 0.00002 0.00016 0.00007 0.00002 0.00000 121 9 H 1S 0.00000 0.00012 -0.00003 0.00002 0.00000 122 2S 0.00026 0.00106 0.00057 0.00032 0.00001 123 10 H 1S 0.00001 0.00000 0.00002 0.00000 0.00000 124 2S 0.00015 0.00000 0.00006 0.00001 0.00000 125 11 H 1S 0.00000 0.00006 0.00001 0.00000 0.00000 126 2S 0.00017 0.00057 0.00100 0.00001 0.00001 127 12 H 1S -0.00051 -0.00505 0.00114 -0.00103 0.00008 128 2S -0.00201 -0.01086 0.00089 -0.00178 0.00046 129 13 H 1S 0.03669 0.00122 0.07465 0.00569 -0.00108 130 2S 0.01844 0.00035 0.04818 0.00338 -0.00228 131 14 O 1S 0.00000 -0.00003 0.00001 0.00000 0.00000 132 2S -0.00001 0.00054 -0.00026 0.00003 0.00000 133 2PX -0.00034 0.00216 -0.00021 0.00004 0.00000 134 2PY -0.00042 -0.00084 0.00037 0.00000 0.00000 135 2PZ 0.00000 0.00008 0.00000 -0.00020 0.00000 136 3S 0.00038 0.00214 -0.00140 0.00014 0.00000 137 3PX -0.00236 0.01005 -0.00106 0.00018 0.00002 138 3PY -0.00245 -0.00342 0.00130 0.00004 -0.00005 139 3PZ -0.00006 0.00035 0.00002 -0.00150 0.00000 140 4XX 0.00004 0.00008 -0.00001 0.00001 0.00000 141 4YY -0.00008 -0.00015 0.00005 0.00000 0.00000 142 4ZZ 0.00002 0.00004 -0.00002 0.00000 0.00000 143 4XY -0.00002 0.00013 -0.00002 0.00000 0.00000 144 4XZ 0.00000 -0.00001 0.00000 0.00001 0.00000 145 4YZ 0.00000 0.00001 0.00000 -0.00001 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.00001 0.00002 0.00000 0.00000 0.00000 152 3PX 0.00003 -0.00016 0.00001 0.00001 0.00000 153 3PY -0.00001 0.00001 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00003 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 -0.00006 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00001 -0.00001 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00002 -0.00009 0.00000 -0.00003 0.00000 252 3PX 0.00003 -0.00007 0.00001 -0.00006 0.00000 253 3PY -0.00001 -0.00001 0.00002 -0.00001 0.00000 254 3PZ 0.00001 -0.00008 0.00000 -0.00002 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00001 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00003 -0.00008 -0.00003 -0.00001 0.00000 56 57 58 59 60 56 4YY 0.00283 57 4ZZ -0.00018 0.00064 58 4XY 0.00000 0.00000 0.00149 59 4XZ 0.00000 0.00000 0.00000 0.00097 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00090 61 5 C 1S -0.00002 0.00000 -0.00020 -0.00001 -0.00001 62 2S 0.00016 -0.00031 0.00218 0.00006 0.00016 63 2PX 0.00173 -0.00040 0.00209 0.00006 0.00043 64 2PY -0.00068 -0.00028 0.00099 0.00014 0.00007 65 2PZ 0.00004 0.00004 0.00035 0.00099 0.00079 66 3S 0.00023 -0.00064 0.00075 0.00001 0.00005 67 3PX 0.00233 -0.00034 0.00003 0.00000 0.00008 68 3PY -0.00132 -0.00022 -0.00007 0.00000 -0.00001 69 3PZ 0.00007 -0.00016 0.00007 0.00086 0.00071 70 4XX -0.00027 -0.00001 -0.00001 0.00003 0.00005 71 4YY 0.00009 -0.00001 0.00004 -0.00002 -0.00001 72 4ZZ -0.00003 0.00001 -0.00004 0.00000 0.00001 73 4XY 0.00005 -0.00006 0.00013 -0.00001 0.00000 74 4XZ -0.00006 0.00000 0.00002 -0.00003 0.00002 75 4YZ -0.00001 0.00000 0.00002 -0.00005 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00003 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00015 0.00000 0.00002 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00001 0.00001 81 3S 0.00009 0.00002 0.00000 0.00000 0.00000 82 3PX -0.00006 0.00008 0.00000 0.00000 -0.00001 83 3PY 0.00048 -0.00009 0.00001 0.00001 0.00001 84 3PZ 0.00002 0.00001 0.00000 0.00008 0.00010 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00005 -0.00001 0.00000 0.00000 0.00000 97 3PX -0.00001 0.00000 -0.00002 0.00000 0.00000 98 3PY 0.00004 -0.00002 0.00000 0.00000 -0.00001 99 3PZ -0.00003 0.00001 0.00000 0.00000 -0.00001 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00001 0.00000 0.00001 0.00000 0.00001 108 2PX 0.00001 0.00001 0.00000 0.00001 0.00000 109 2PY 0.00004 0.00001 0.00005 0.00000 0.00002 110 2PZ 0.00001 -0.00001 0.00002 -0.00001 0.00001 111 3S 0.00004 0.00004 0.00004 -0.00001 0.00001 112 3PX -0.00006 0.00018 0.00000 0.00004 -0.00004 113 3PY 0.00034 0.00010 0.00008 0.00001 0.00005 114 3PZ -0.00001 -0.00014 0.00006 0.00001 -0.00001 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S -0.00001 0.00000 0.00000 0.00000 0.00000 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00000 0.00000 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S -0.00002 0.00000 0.00000 0.00000 0.00000 127 12 H 1S -0.00002 0.00000 -0.00001 0.00002 0.00000 128 2S -0.00037 0.00011 -0.00010 0.00008 0.00000 129 13 H 1S 0.00956 -0.00054 0.00016 -0.00001 0.00116 130 2S 0.00535 -0.00047 0.00003 -0.00001 0.00015 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00001 0.00000 0.00000 137 3PX 0.00001 -0.00001 0.00002 0.00000 0.00000 138 3PY 0.00001 0.00001 0.00001 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05986 62 2S -0.02077 0.29474 63 2PX 0.00000 0.00000 0.38331 64 2PY 0.00000 0.00000 0.00000 0.39646 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.31133 66 3S -0.02665 0.17847 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.11631 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.08365 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.12972 70 4XX -0.00062 0.00563 0.00000 0.00000 0.00000 71 4YY -0.00051 0.00459 0.00000 0.00000 0.00000 72 4ZZ -0.00006 -0.00518 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00049 -0.00003 -0.00244 -0.00016 77 2S -0.00049 0.01028 0.00040 0.03639 0.00236 78 2PX -0.00003 0.00049 0.00307 0.00104 0.00074 79 2PY -0.00243 0.03611 0.00065 0.07854 0.01015 80 2PZ -0.00016 0.00240 0.00072 0.01044 0.00986 81 3S -0.00049 0.01325 -0.00008 0.02602 0.00128 82 3PX 0.00006 -0.00089 -0.00076 0.00021 0.00067 83 3PY -0.00229 0.02689 -0.00064 0.01672 0.00432 84 3PZ -0.00006 0.00055 0.00061 0.00520 0.02060 85 4XX 0.00000 -0.00059 0.00002 -0.00129 -0.00010 86 4YY -0.00027 0.00349 0.00021 0.00415 0.00124 87 4ZZ 0.00000 -0.00026 0.00000 -0.00047 0.00005 88 4XY -0.00001 0.00013 0.00167 0.00027 0.00004 89 4XZ 0.00000 -0.00001 0.00012 -0.00003 0.00001 90 4YZ -0.00005 0.00046 0.00004 0.00123 0.00117 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00007 -0.00007 -0.00020 -0.00004 93 2PX 0.00000 -0.00012 -0.00006 -0.00025 -0.00008 94 2PY 0.00000 -0.00015 -0.00006 -0.00026 -0.00007 95 2PZ 0.00000 -0.00005 -0.00006 -0.00013 0.00001 96 3S 0.00005 -0.00155 -0.00034 -0.00101 -0.00003 97 3PX 0.00007 -0.00113 -0.00023 -0.00100 -0.00091 98 3PY 0.00011 -0.00255 0.00038 -0.00117 -0.00028 99 3PZ 0.00003 -0.00062 -0.00067 -0.00086 -0.00013 100 4XX 0.00000 -0.00001 -0.00001 -0.00003 0.00002 101 4YY 0.00000 0.00001 0.00001 0.00005 0.00001 102 4ZZ 0.00000 0.00000 0.00001 0.00001 -0.00001 103 4XY 0.00000 0.00001 0.00000 0.00005 0.00002 104 4XZ 0.00000 0.00000 0.00001 0.00001 -0.00001 105 4YZ 0.00000 0.00001 0.00000 0.00002 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00001 -0.00001 0.00000 0.00000 108 2PX 0.00000 -0.00002 0.00001 -0.00001 -0.00007 109 2PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 110 2PZ 0.00000 0.00000 -0.00007 -0.00001 0.00004 111 3S 0.00001 -0.00015 -0.00070 -0.00018 -0.00027 112 3PX 0.00002 0.00000 0.00028 -0.00002 -0.00185 113 3PY 0.00000 0.00000 -0.00003 -0.00004 -0.00023 114 3PZ 0.00001 -0.00001 -0.00164 -0.00028 0.00038 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00000 0.00008 0.00004 0.00026 0.00004 125 11 H 1S 0.00000 -0.00017 -0.00005 -0.00058 0.00000 126 2S 0.00013 -0.00198 -0.00051 -0.00658 -0.00006 127 12 H 1S -0.00191 0.03017 0.06753 0.00948 0.01701 128 2S -0.00105 0.01174 0.03452 0.00495 0.00874 129 13 H 1S 0.00000 -0.00017 -0.00013 -0.00048 0.00000 130 2S 0.00012 -0.00171 -0.00146 -0.00493 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3S 0.17843 67 3PX 0.00000 0.12482 68 3PY 0.00000 0.00000 0.06526 69 3PZ 0.00000 0.00000 0.00000 0.17522 70 4XX 0.00421 0.00000 0.00000 0.00000 0.00195 71 4YY 0.00295 0.00000 0.00000 0.00000 -0.00037 72 4ZZ -0.00330 0.00000 0.00000 0.00000 -0.00005 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00053 -0.00013 -0.00200 -0.00023 0.00000 77 2S 0.01410 0.00161 0.02272 0.00279 -0.00060 78 2PX 0.00064 -0.00078 0.00025 0.00066 0.00002 79 2PY 0.02266 -0.00056 0.01593 0.00441 -0.00133 80 2PZ 0.00176 0.00063 0.00531 0.02064 -0.00005 81 3S 0.01433 0.00084 0.01710 0.00163 -0.00125 82 3PX -0.00026 -0.00864 -0.00007 0.00088 -0.00009 83 3PY 0.01665 -0.00150 0.00185 0.00299 -0.00146 84 3PZ 0.00053 0.00080 0.00471 0.04032 -0.00011 85 4XX -0.00123 -0.00001 -0.00186 -0.00002 0.00002 86 4YY 0.00298 0.00008 0.00147 0.00081 -0.00008 87 4ZZ -0.00053 0.00000 -0.00013 -0.00034 0.00001 88 4XY 0.00003 0.00134 0.00001 0.00001 0.00000 89 4XZ 0.00000 0.00004 -0.00001 0.00001 0.00000 90 4YZ 0.00013 0.00001 0.00012 0.00126 0.00001 91 7 C 1S 0.00005 0.00007 0.00011 0.00003 0.00000 92 2S -0.00169 -0.00156 -0.00204 -0.00071 0.00000 93 2PX -0.00051 -0.00017 -0.00096 -0.00077 0.00001 94 2PY -0.00069 0.00044 -0.00124 -0.00043 0.00001 95 2PZ -0.00020 -0.00059 -0.00088 -0.00014 0.00000 96 3S -0.00508 -0.00130 -0.00233 0.00008 -0.00002 97 3PX -0.00102 -0.00004 -0.00108 -0.00258 0.00013 98 3PY -0.00177 0.00377 -0.00126 -0.00015 0.00001 99 3PZ -0.00037 -0.00174 -0.00208 -0.00239 -0.00007 100 4XX -0.00005 -0.00007 -0.00034 0.00030 0.00000 101 4YY 0.00002 -0.00006 0.00027 0.00000 0.00000 102 4ZZ 0.00003 0.00017 0.00013 -0.00015 0.00000 103 4XY 0.00004 -0.00001 0.00009 0.00005 0.00000 104 4XZ -0.00001 0.00003 0.00003 0.00002 0.00000 105 4YZ 0.00001 -0.00003 0.00004 -0.00001 0.00000 106 8 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 107 2S 0.00006 0.00026 -0.00003 0.00002 0.00000 108 2PX -0.00092 0.00034 -0.00004 -0.00164 0.00000 109 2PY -0.00009 -0.00004 -0.00006 -0.00027 0.00000 110 2PZ -0.00021 -0.00167 -0.00032 0.00040 0.00000 111 3S 0.00045 -0.00143 -0.00037 -0.00076 0.00003 112 3PX -0.00330 0.00050 0.00024 -0.00739 0.00008 113 3PY -0.00040 -0.00005 -0.00050 -0.00091 -0.00002 114 3PZ -0.00069 -0.00667 -0.00122 -0.00101 -0.00004 115 4XX 0.00003 0.00006 -0.00002 -0.00005 0.00000 116 4YY -0.00001 -0.00002 0.00001 -0.00001 0.00000 117 4ZZ 0.00000 -0.00003 -0.00001 0.00002 0.00000 118 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00001 -0.00001 -0.00001 0.00001 0.00000 120 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 121 9 H 1S 0.00001 0.00001 0.00000 0.00000 0.00000 122 2S 0.00012 -0.00008 -0.00001 -0.00003 0.00000 123 10 H 1S 0.00000 -0.00003 0.00012 0.00000 0.00000 124 2S 0.00025 0.00009 0.00136 0.00017 -0.00001 125 11 H 1S -0.00060 -0.00192 -0.00322 0.00014 0.00000 126 2S -0.00216 -0.00276 -0.00960 0.00010 0.00008 127 12 H 1S 0.03436 0.05634 0.00769 0.01412 0.00554 128 2S 0.01749 0.04233 0.00586 0.01068 0.00405 129 13 H 1S -0.00107 0.00089 -0.00669 -0.00004 -0.00002 130 2S -0.00212 -0.00041 -0.01029 -0.00004 -0.00036 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00001 0.00001 0.00001 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00001 0.00002 0.00006 0.00000 0.00000 137 3PX 0.00015 0.00010 0.00027 0.00001 0.00000 138 3PY 0.00003 0.00007 -0.00006 0.00000 0.00000 139 3PZ 0.00001 0.00000 0.00001 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 4YY 0.00142 72 4ZZ -0.00013 0.00047 73 4XY 0.00000 0.00000 0.00175 74 4XZ 0.00000 0.00000 0.00000 0.00113 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00099 76 6 C 1S -0.00027 0.00000 -0.00001 0.00000 -0.00004 77 2S 0.00358 -0.00026 0.00012 -0.00001 0.00046 78 2PX 0.00018 0.00000 0.00163 0.00010 0.00003 79 2PY 0.00421 -0.00041 0.00032 -0.00002 0.00123 80 2PZ 0.00112 0.00006 0.00004 0.00003 0.00098 81 3S 0.00289 -0.00045 0.00005 0.00000 0.00015 82 3PX 0.00012 0.00004 0.00109 0.00011 0.00001 83 3PY 0.00116 -0.00004 0.00005 0.00000 0.00014 84 3PZ 0.00074 -0.00029 0.00002 0.00003 0.00104 85 4XX -0.00004 0.00000 0.00000 0.00000 -0.00002 86 4YY 0.00040 -0.00006 -0.00003 0.00000 0.00004 87 4ZZ -0.00009 0.00000 0.00000 0.00000 -0.00001 88 4XY -0.00002 0.00001 -0.00030 -0.00005 0.00002 89 4XZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 90 4YZ 0.00005 0.00001 0.00002 0.00000 -0.00005 91 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 0.00000 0.00002 0.00000 0.00000 93 2PX -0.00002 0.00001 0.00003 0.00000 0.00004 94 2PY 0.00000 0.00000 0.00002 0.00000 0.00002 95 2PZ 0.00002 0.00000 0.00004 0.00001 -0.00002 96 3S -0.00004 0.00004 0.00005 0.00000 0.00001 97 3PX -0.00027 0.00008 0.00004 0.00000 0.00014 98 3PY 0.00002 0.00005 -0.00002 -0.00003 0.00006 99 3PZ 0.00017 -0.00002 0.00014 -0.00001 0.00003 100 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S -0.00001 0.00000 0.00001 0.00001 0.00000 112 3PX -0.00004 -0.00002 0.00000 -0.00001 0.00000 113 3PY 0.00001 0.00000 0.00000 -0.00001 0.00000 114 3PZ 0.00000 0.00002 0.00000 0.00001 0.00000 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2S 0.00001 0.00000 -0.00001 0.00000 0.00000 125 11 H 1S 0.00003 0.00000 0.00005 0.00000 0.00000 126 2S -0.00007 -0.00003 0.00019 0.00000 -0.00002 127 12 H 1S -0.00097 0.00006 0.00173 0.00259 0.00034 128 2S -0.00212 0.00056 0.00030 0.00037 0.00004 129 13 H 1S 0.00008 0.00000 0.00001 0.00000 0.00000 130 2S 0.00054 0.00000 -0.00006 0.00000 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.06022 77 2S -0.02124 0.30090 78 2PX 0.00000 0.00000 0.38522 79 2PY 0.00000 0.00000 0.00000 0.40130 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.29616 81 3S -0.02648 0.17887 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.10743 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.09874 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.11434 85 4XX -0.00057 0.00502 0.00000 0.00000 0.00000 86 4YY -0.00060 0.00590 0.00000 0.00000 0.00000 87 4ZZ -0.00001 -0.00599 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 -0.00050 -0.00191 -0.00027 -0.00048 92 2S -0.00050 0.01038 0.02808 0.00399 0.00707 93 2PX -0.00190 0.02835 0.03804 0.00851 0.02612 94 2PY -0.00026 0.00384 0.00759 -0.00083 0.00390 95 2PZ -0.00048 0.00710 0.02590 0.00409 0.00246 96 3S -0.00059 0.01485 0.01749 0.00348 0.00529 97 3PX -0.00131 0.01472 0.00455 0.00234 0.01338 98 3PY -0.00054 0.00675 0.00021 -0.00538 0.00217 99 3PZ -0.00043 0.00504 0.01292 0.00246 0.01461 100 4XX -0.00015 0.00202 0.00056 0.00104 0.00198 101 4YY 0.00001 -0.00062 -0.00090 0.00004 -0.00017 102 4ZZ 0.00000 -0.00002 0.00045 0.00007 -0.00008 103 4XY -0.00006 0.00074 0.00124 0.00038 0.00066 104 4XZ -0.00010 0.00101 0.00167 0.00047 0.00005 105 4YZ -0.00001 0.00012 0.00054 0.00010 0.00002 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00006 -0.00027 0.00000 -0.00005 108 2PX 0.00000 -0.00027 -0.00068 0.00001 -0.00012 109 2PY 0.00000 -0.00002 -0.00007 0.00000 -0.00001 110 2PZ 0.00000 -0.00004 -0.00009 0.00000 -0.00001 111 3S 0.00005 -0.00170 -0.00060 -0.00013 -0.00038 112 3PX 0.00020 -0.00420 -0.00269 0.00008 -0.00126 113 3PY 0.00001 -0.00008 -0.00060 0.00015 -0.00001 114 3PZ 0.00003 -0.00064 -0.00072 0.00007 -0.00009 115 4XX 0.00000 0.00002 0.00009 0.00000 0.00005 116 4YY 0.00000 0.00000 -0.00001 0.00000 -0.00001 117 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 118 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 119 4XZ 0.00000 0.00001 0.00006 0.00000 -0.00001 120 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00007 0.00026 0.00000 0.00005 123 10 H 1S 0.00000 -0.00018 -0.00026 -0.00029 -0.00011 124 2S 0.00013 -0.00200 -0.00299 -0.00321 -0.00118 125 11 H 1S -0.00191 0.03032 0.05209 0.03958 0.00292 126 2S -0.00097 0.01108 0.02661 0.02022 0.00151 127 12 H 1S 0.00000 -0.00017 -0.00014 -0.00042 -0.00009 128 2S 0.00013 -0.00195 -0.00157 -0.00484 -0.00098 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00006 0.00000 0.00028 0.00001 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 3S 0.16912 82 3PX 0.00000 0.10772 83 3PY 0.00000 0.00000 0.08655 84 3PZ 0.00000 0.00000 0.00000 0.14787 85 4XX 0.00350 0.00000 0.00000 0.00000 0.00160 86 4YY 0.00410 0.00000 0.00000 0.00000 -0.00023 87 4ZZ -0.00385 0.00000 0.00000 0.00000 -0.00014 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.00051 -0.00196 0.00005 -0.00041 -0.00014 92 2S 0.01342 0.02311 -0.00107 0.00465 0.00194 93 2PX 0.02050 0.00493 0.00243 0.01373 0.00048 94 2PY 0.00138 -0.00003 -0.00519 0.00192 0.00108 95 2PZ 0.00480 0.01302 0.00246 0.01428 0.00228 96 3S 0.01588 0.01411 -0.00011 0.00426 0.00191 97 3PX 0.01119 -0.00161 0.00042 0.01240 -0.00031 98 3PY 0.00363 -0.00384 -0.01544 0.00190 0.00071 99 3PZ 0.00352 0.01134 0.00262 0.03548 0.00189 100 4XX 0.00170 -0.00071 0.00069 0.00149 0.00019 101 4YY -0.00094 -0.00028 -0.00057 -0.00005 -0.00013 102 4ZZ 0.00000 0.00098 0.00026 -0.00076 -0.00001 103 4XY 0.00026 0.00009 0.00037 0.00016 -0.00008 104 4XZ 0.00030 0.00011 0.00010 0.00038 0.00010 105 4YZ 0.00005 0.00013 0.00012 0.00006 0.00000 106 8 C 1S 0.00006 0.00020 0.00001 0.00003 0.00000 107 2S -0.00177 -0.00390 -0.00028 -0.00059 0.00002 108 2PX -0.00129 -0.00267 0.00027 -0.00102 0.00005 109 2PY -0.00018 -0.00057 0.00022 -0.00001 0.00002 110 2PZ -0.00013 -0.00086 0.00010 -0.00010 0.00005 111 3S -0.00600 -0.00185 -0.00046 -0.00147 0.00009 112 3PX -0.00374 -0.00035 0.00098 -0.00298 0.00000 113 3PY -0.00032 -0.00148 0.00133 0.00009 0.00008 114 3PZ -0.00045 -0.00165 0.00040 -0.00157 0.00031 115 4XX 0.00005 0.00016 -0.00004 0.00029 0.00000 116 4YY -0.00007 -0.00005 0.00001 -0.00015 0.00000 117 4ZZ 0.00004 0.00008 -0.00001 0.00001 0.00000 118 4XY -0.00001 -0.00005 -0.00005 0.00002 0.00000 119 4XZ 0.00000 0.00013 -0.00003 0.00003 0.00000 120 4YZ 0.00000 0.00004 0.00001 0.00001 0.00000 121 9 H 1S 0.00000 0.00006 0.00000 0.00002 0.00000 122 2S 0.00023 0.00133 -0.00002 0.00026 -0.00001 123 10 H 1S -0.00067 0.00052 -0.00490 -0.00044 -0.00003 124 2S -0.00213 -0.00202 -0.00877 -0.00150 -0.00046 125 11 H 1S 0.03424 0.04293 0.03260 0.00241 0.00296 126 2S 0.01651 0.03220 0.02438 0.00183 0.00230 127 12 H 1S -0.00080 -0.00322 -0.00057 -0.00109 0.00001 128 2S -0.00248 -0.00529 -0.00493 -0.00215 0.00027 129 13 H 1S 0.00001 -0.00002 0.00009 0.00000 0.00000 130 2S 0.00021 -0.00004 0.00151 0.00003 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00001 -0.00001 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 4YY 0.00155 87 4ZZ -0.00018 0.00070 88 4XY 0.00000 0.00000 0.00236 89 4XZ 0.00000 0.00000 0.00000 0.00080 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00093 91 7 C 1S 0.00001 0.00000 -0.00007 -0.00010 -0.00001 92 2S -0.00059 -0.00002 0.00076 0.00099 0.00013 93 2PX -0.00091 0.00050 0.00116 0.00178 0.00044 94 2PY 0.00004 0.00007 0.00039 0.00054 0.00011 95 2PZ -0.00023 -0.00009 0.00062 0.00008 0.00001 96 3S -0.00107 -0.00008 0.00022 0.00031 0.00003 97 3PX -0.00130 0.00130 0.00006 0.00013 0.00008 98 3PY -0.00033 0.00007 0.00066 0.00012 0.00014 99 3PZ -0.00016 -0.00089 0.00013 0.00046 0.00008 100 4XX -0.00005 -0.00005 -0.00004 0.00012 -0.00006 101 4YY 0.00003 0.00001 -0.00001 -0.00002 0.00000 102 4ZZ 0.00000 0.00000 -0.00002 0.00000 0.00000 103 4XY -0.00001 0.00001 -0.00008 0.00004 -0.00003 104 4XZ -0.00004 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00001 0.00000 0.00000 108 2PX -0.00001 0.00001 0.00003 0.00004 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 111 3S -0.00007 0.00002 0.00001 -0.00001 0.00000 112 3PX -0.00017 0.00032 0.00008 0.00010 -0.00002 113 3PY 0.00000 -0.00002 -0.00007 -0.00001 -0.00002 114 3PZ 0.00007 -0.00015 -0.00005 0.00003 -0.00001 115 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 10 H 1S 0.00004 0.00000 0.00005 -0.00001 0.00002 124 2S 0.00050 0.00001 0.00011 -0.00006 0.00006 125 11 H 1S 0.00119 -0.00064 0.00531 0.00025 0.00037 126 2S 0.00070 -0.00075 0.00087 0.00002 0.00007 127 12 H 1S -0.00003 0.00001 0.00006 0.00001 0.00001 128 2S -0.00048 0.00012 0.00019 0.00005 0.00002 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 C 1S 2.05980 92 2S -0.02077 0.29478 93 2PX 0.00000 0.00000 0.38501 94 2PY 0.00000 0.00000 0.00000 0.39341 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.31261 96 3S -0.02644 0.17687 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.08529 0.00000 0.00000 98 3PY 0.00000 0.00000 0.00000 0.11801 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.12528 100 4XX -0.00042 0.00288 0.00000 0.00000 0.00000 101 4YY -0.00075 0.00785 0.00000 0.00000 0.00000 102 4ZZ -0.00002 -0.00566 0.00000 0.00000 0.00000 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 -0.00050 -0.00147 -0.00110 -0.00009 107 2S -0.00051 0.01043 0.02197 0.01644 0.00139 108 2PX -0.00149 0.02191 0.01798 0.03203 0.00600 109 2PY -0.00111 0.01621 0.03299 0.00806 0.00047 110 2PZ -0.00009 0.00134 0.00602 0.00038 0.01263 111 3S -0.00042 0.01298 0.01373 0.00745 0.00055 112 3PX -0.00168 0.02019 0.00014 0.00776 0.00418 113 3PY -0.00053 0.00497 0.01320 -0.00339 -0.00033 114 3PZ -0.00014 0.00176 0.00378 -0.00116 0.02286 115 4XX -0.00007 0.00089 -0.00062 0.00269 0.00033 116 4YY -0.00002 0.00014 0.00123 -0.00073 0.00006 117 4ZZ 0.00000 -0.00029 -0.00026 -0.00028 0.00005 118 4XY -0.00020 0.00217 0.00202 0.00096 0.00032 119 4XZ -0.00001 0.00008 0.00012 0.00022 0.00099 120 4YZ -0.00002 0.00018 0.00045 0.00009 0.00063 121 9 H 1S 0.00000 -0.00018 -0.00052 -0.00005 -0.00006 122 2S 0.00012 -0.00181 -0.00551 -0.00067 -0.00067 123 10 H 1S -0.00191 0.03015 0.00113 0.08739 0.00545 124 2S -0.00106 0.01187 0.00061 0.04494 0.00286 125 11 H 1S 0.00000 -0.00017 -0.00054 0.00000 -0.00009 126 2S 0.00014 -0.00198 -0.00614 -0.00003 -0.00101 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00008 0.00018 0.00010 0.00006 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 3S 0.17091 97 3PX 0.00000 0.07035 98 3PY 0.00000 0.00000 0.12510 99 3PZ 0.00000 0.00000 0.00000 0.16768 100 4XX 0.00229 0.00000 0.00000 0.00000 0.00136 101 4YY 0.00544 0.00000 0.00000 0.00000 -0.00042 102 4ZZ -0.00383 0.00000 0.00000 0.00000 -0.00010 103 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S -0.00083 -0.00086 -0.00171 0.00001 -0.00008 107 2S 0.01661 0.00933 0.01957 -0.00003 0.00096 108 2PX 0.01215 0.00013 0.00806 0.00404 -0.00058 109 2PY 0.01352 0.01159 -0.00353 -0.00084 0.00243 110 2PZ 0.00082 0.00410 -0.00111 0.02409 0.00020 111 3S 0.01698 0.00623 0.00968 -0.00080 0.00062 112 3PX 0.01000 -0.00302 -0.00190 0.00485 -0.00145 113 3PY 0.00560 0.00657 -0.01146 -0.00124 0.00185 114 3PZ 0.00138 0.00446 -0.00230 0.04441 0.00021 115 4XX 0.00119 -0.00109 0.00268 0.00036 0.00012 116 4YY -0.00002 0.00101 -0.00135 -0.00002 -0.00023 117 4ZZ -0.00056 0.00004 -0.00031 -0.00018 0.00001 118 4XY 0.00068 0.00003 -0.00003 0.00008 0.00003 119 4XZ 0.00004 0.00000 0.00007 0.00088 0.00003 120 4YZ 0.00005 0.00012 0.00000 0.00061 -0.00002 121 9 H 1S -0.00033 -0.00484 0.00123 -0.00093 0.00008 122 2S -0.00169 -0.00968 0.00047 -0.00146 0.00038 123 10 H 1S 0.03379 0.00094 0.07297 0.00454 -0.00108 124 2S 0.01717 0.00074 0.05518 0.00352 -0.00256 125 11 H 1S -0.00071 -0.00390 -0.00071 -0.00020 0.00006 126 2S -0.00251 -0.00984 -0.00086 -0.00110 0.00021 127 12 H 1S 0.00000 0.00010 -0.00003 0.00002 0.00000 128 2S 0.00019 0.00104 0.00036 0.00031 0.00001 129 13 H 1S 0.00001 0.00000 0.00002 0.00000 0.00000 130 2S 0.00013 0.00000 -0.00009 0.00000 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 137 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 138 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.00001 -0.00002 -0.00001 0.00000 0.00000 152 3PX 0.00001 0.00003 0.00000 0.00000 0.00000 153 3PY 0.00001 0.00002 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX -0.00001 0.00003 -0.00001 0.00001 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00001 0.00006 -0.00002 -0.00002 0.00000 252 3PX -0.00003 0.00000 -0.00005 -0.00002 0.00000 253 3PY 0.00001 0.00006 -0.00002 -0.00002 0.00000 254 3PZ 0.00000 0.00002 -0.00001 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 4YY 0.00278 102 4ZZ -0.00018 0.00059 103 4XY 0.00000 0.00000 0.00154 104 4XZ 0.00000 0.00000 0.00000 0.00086 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00087 106 8 C 1S -0.00002 0.00000 -0.00020 -0.00001 -0.00002 107 2S 0.00012 -0.00030 0.00220 0.00009 0.00019 108 2PX 0.00167 -0.00041 0.00210 0.00005 0.00045 109 2PY -0.00065 -0.00026 0.00100 0.00019 0.00008 110 2PZ 0.00007 0.00003 0.00041 0.00083 0.00068 111 3S 0.00036 -0.00045 0.00063 0.00003 0.00005 112 3PX 0.00246 -0.00032 0.00003 0.00000 0.00008 113 3PY -0.00123 -0.00020 -0.00009 0.00002 -0.00001 114 3PZ 0.00013 -0.00015 0.00007 0.00071 0.00061 115 4XX -0.00026 -0.00001 -0.00001 0.00003 0.00005 116 4YY 0.00009 0.00000 0.00003 -0.00002 -0.00001 117 4ZZ -0.00003 0.00001 -0.00003 0.00000 0.00001 118 4XY 0.00006 -0.00006 0.00012 -0.00001 0.00000 119 4XZ -0.00006 0.00000 0.00002 -0.00003 0.00002 120 4YZ 0.00000 0.00000 0.00002 -0.00005 0.00000 121 9 H 1S -0.00002 0.00000 -0.00001 0.00002 0.00000 122 2S -0.00032 0.00010 -0.00009 0.00007 0.00000 123 10 H 1S 0.00954 -0.00054 0.00029 -0.00001 0.00111 124 2S 0.00610 -0.00053 0.00005 -0.00001 0.00017 125 11 H 1S -0.00001 0.00000 0.00002 0.00001 0.00000 126 2S -0.00009 -0.00002 0.00007 -0.00002 0.00001 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S -0.00001 0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 8 C 1S 2.06016 107 2S -0.02132 0.30300 108 2PX 0.00000 0.00000 0.39109 109 2PY 0.00000 0.00000 0.00000 0.39983 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.29609 111 3S -0.02526 0.17014 0.00000 0.00000 0.00000 112 3PX 0.00000 0.00000 0.12035 0.00000 0.00000 113 3PY 0.00000 0.00000 0.00000 0.09171 0.00000 114 3PZ 0.00000 0.00000 0.00000 0.00000 0.11739 115 4XX -0.00063 0.00626 0.00000 0.00000 0.00000 116 4YY -0.00050 0.00463 0.00000 0.00000 0.00000 117 4ZZ -0.00005 -0.00548 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S -0.00198 0.03166 0.06868 0.00985 0.01797 122 2S -0.00053 0.00786 0.03116 0.00434 0.00795 123 10 H 1S 0.00000 -0.00019 -0.00013 -0.00051 0.00000 124 2S 0.00013 -0.00198 -0.00159 -0.00555 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00007 0.00025 0.00006 0.00003 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00006 0.00003 0.00027 0.00004 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00001 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00001 0.00000 138 3PY 0.00000 0.00001 0.00000 0.00006 -0.00001 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 -0.00002 0.00000 0.00000 0.00000 152 3PX 0.00000 -0.00010 -0.00019 -0.00003 0.00000 153 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 -0.00002 -0.00016 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 -0.00001 -0.00003 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 -0.00008 -0.00011 -0.00003 -0.00016 252 3PX 0.00000 -0.00006 -0.00003 -0.00002 -0.00005 253 3PY 0.00000 -0.00009 -0.00016 0.00001 -0.00011 254 3PZ 0.00000 -0.00007 -0.00012 -0.00001 -0.00008 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00001 0.00001 0.00000 0.00002 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 3S 0.15738 112 3PX 0.00000 0.13389 113 3PY 0.00000 0.00000 0.07547 114 3PZ 0.00000 0.00000 0.00000 0.15177 115 4XX 0.00378 0.00000 0.00000 0.00000 0.00204 116 4YY 0.00332 0.00000 0.00000 0.00000 -0.00038 117 4ZZ -0.00324 0.00000 0.00000 0.00000 -0.00005 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.03300 0.05981 0.00907 0.01500 0.00574 122 2S 0.01069 0.03799 0.00529 0.00914 0.00358 123 10 H 1S -0.00052 0.00128 -0.00632 -0.00001 -0.00002 124 2S -0.00152 0.00019 -0.01256 -0.00001 -0.00042 125 11 H 1S 0.00000 0.00004 0.00005 0.00000 0.00000 126 2S 0.00017 0.00127 0.00037 0.00011 -0.00001 127 12 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 128 2S 0.00016 0.00003 -0.00001 0.00000 0.00000 129 13 H 1S 0.00001 -0.00004 0.00016 0.00000 0.00000 130 2S 0.00020 0.00004 0.00160 0.00022 -0.00001 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00001 -0.00001 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 134 2PY 0.00005 0.00000 0.00013 -0.00002 0.00000 135 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 136 3S -0.00001 -0.00007 -0.00003 -0.00002 0.00000 137 3PX 0.00004 -0.00003 0.00012 0.00005 0.00000 138 3PY 0.00062 -0.00004 0.00142 -0.00028 0.00000 139 3PZ 0.00003 0.00003 0.00003 -0.00010 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00001 0.00000 0.00002 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 147 2S 0.00001 -0.00010 -0.00003 0.00000 0.00000 148 2PX -0.00003 -0.00018 0.00005 0.00000 0.00000 149 2PY -0.00002 -0.00008 0.00001 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 151 3S 0.00003 0.00010 -0.00028 -0.00001 0.00000 152 3PX -0.00054 -0.00113 0.00028 -0.00002 0.00000 153 3PY -0.00023 -0.00045 0.00001 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00001 0.00009 0.00000 155 4XX 0.00000 0.00002 -0.00001 0.00000 0.00000 156 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S -0.00001 -0.00005 0.00000 0.00000 0.00000 163 2PX -0.00004 -0.00027 0.00000 -0.00002 0.00000 164 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 165 2PZ 0.00000 -0.00001 0.00000 0.00001 0.00000 166 3S 0.00001 0.00003 -0.00001 -0.00001 0.00000 167 3PX -0.00041 -0.00198 0.00003 -0.00014 0.00000 168 3PY -0.00001 -0.00001 -0.00005 0.00000 0.00000 169 3PZ -0.00002 -0.00013 0.00000 0.00007 0.00000 170 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 182 3PX -0.00001 -0.00012 -0.00001 0.00000 0.00000 183 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00001 0.00000 0.00001 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00002 -0.00001 -0.00001 0.00000 213 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 214 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00001 0.00000 0.00002 0.00000 227 3PX -0.00001 -0.00001 0.00003 -0.00006 0.00000 228 3PY -0.00002 0.00000 -0.00001 -0.00001 0.00000 229 3PZ -0.00001 -0.00003 -0.00001 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S -0.00001 -0.00002 -0.00001 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S -0.00001 -0.00003 0.00000 0.00000 0.00000 245 2S -0.00011 -0.00029 0.00000 0.00002 0.00000 246 26 O 1S 0.00000 0.00001 -0.00001 0.00001 0.00000 247 2S -0.00001 -0.00010 0.00014 -0.00013 0.00000 248 2PX 0.00000 -0.00010 -0.00005 -0.00008 0.00000 249 2PY -0.00006 -0.00027 0.00010 -0.00006 0.00000 250 2PZ -0.00002 -0.00016 0.00004 -0.00012 0.00000 251 3S -0.00035 -0.00135 0.00071 -0.00139 -0.00001 252 3PX -0.00001 -0.00043 -0.00024 -0.00015 0.00000 253 3PY -0.00055 -0.00162 0.00038 -0.00042 -0.00001 254 3PZ -0.00028 -0.00102 0.00031 -0.00058 0.00000 255 4XX 0.00001 0.00003 0.00002 0.00003 0.00000 256 4YY 0.00001 0.00004 -0.00001 0.00000 0.00000 257 4ZZ 0.00000 0.00002 0.00000 -0.00002 0.00000 258 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 259 4XZ 0.00000 0.00001 0.00000 0.00002 0.00000 260 4YZ 0.00000 0.00001 0.00000 0.00001 0.00000 261 27 H 1S 0.00000 0.00002 0.00000 0.00002 0.00000 262 2S 0.00004 0.00016 -0.00004 0.00026 0.00000 263 28 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 264 2S -0.00008 -0.00006 0.00013 -0.00003 0.00000 116 117 118 119 120 116 4YY 0.00152 117 4ZZ -0.00014 0.00049 118 4XY 0.00000 0.00000 0.00170 119 4XZ 0.00000 0.00000 0.00000 0.00116 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00114 121 9 H 1S -0.00098 0.00000 0.00174 0.00260 0.00036 122 2S -0.00195 0.00053 0.00027 0.00031 0.00004 123 10 H 1S 0.00009 0.00000 0.00001 0.00000 0.00000 124 2S 0.00069 -0.00001 -0.00005 0.00000 0.00000 125 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2S 0.00000 0.00000 0.00000 0.00000 0.00000 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00001 0.00000 0.00000 0.00000 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00001 0.00001 0.00000 0.00001 252 3PX 0.00000 0.00001 0.00001 0.00000 0.00001 253 3PY 0.00000 0.00001 0.00001 0.00000 0.00001 254 3PZ 0.00000 0.00001 0.00001 0.00000 0.00001 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 9 H 1S 0.20695 122 2S 0.07401 0.07646 123 10 H 1S -0.00001 -0.00020 0.20748 124 2S -0.00028 -0.00055 0.08554 0.09146 125 11 H 1S 0.00000 0.00000 -0.00001 -0.00029 0.20791 126 2S 0.00000 -0.00009 -0.00029 -0.00080 0.08467 127 12 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 128 2S 0.00000 0.00001 0.00000 -0.00010 -0.00028 129 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00009 0.00000 0.00001 0.00000 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00014 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00008 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00016 0.00000 0.00000 0.00000 150 2PZ 0.00000 -0.00007 0.00000 0.00000 0.00000 151 3S -0.00009 -0.00096 0.00000 0.00000 0.00000 152 3PX -0.00027 0.00064 0.00000 0.00000 0.00000 153 3PY -0.00012 0.00079 0.00000 0.00000 0.00000 154 3PZ 0.00001 -0.00026 0.00000 0.00000 0.00000 155 4XX 0.00000 -0.00002 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 157 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 162 2S 0.00000 -0.00014 0.00000 0.00000 0.00000 163 2PX -0.00001 0.00061 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00005 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00002 -0.00042 0.00000 0.00000 0.00000 167 3PX -0.00024 0.00341 0.00000 0.00000 0.00000 168 3PY -0.00003 0.00019 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 171 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00002 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00002 0.00000 0.00000 0.00000 182 3PX -0.00001 0.00023 0.00000 0.00000 0.00000 183 3PY 0.00000 -0.00002 0.00000 0.00000 0.00000 184 3PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 -0.00003 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 -0.00005 0.00000 0.00000 0.00000 213 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00002 0.00000 0.00000 0.00000 227 3PX 0.00000 -0.00009 0.00000 0.00000 0.00000 228 3PY 0.00000 -0.00005 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00006 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 -0.00014 0.00000 0.00000 0.00000 245 2S -0.00005 0.00009 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 247 2S 0.00000 0.00010 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00045 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00003 0.00000 0.00000 0.00000 251 3S -0.00034 0.00004 0.00000 0.00000 0.00000 252 3PX -0.00008 0.00011 0.00000 0.00000 0.00000 253 3PY -0.00036 0.00221 0.00000 0.00000 0.00000 254 3PZ -0.00019 -0.00006 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 258 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 262 2S 0.00004 -0.00007 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 264 2S 0.00000 0.00019 0.00000 0.00000 0.00000 126 127 128 129 130 126 2S 0.08983 127 12 H 1S -0.00029 0.20736 128 2S -0.00079 0.08507 0.09064 129 13 H 1S 0.00000 -0.00001 -0.00028 0.20438 130 2S -0.00008 -0.00022 -0.00064 0.07296 0.07351 131 14 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 132 2S 0.00000 0.00000 0.00000 0.00000 0.00033 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00100 134 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00009 136 3S 0.00000 0.00000 0.00000 -0.00006 0.00196 137 3PX 0.00000 0.00000 0.00000 -0.00038 0.00521 138 3PY 0.00000 0.00000 0.00000 0.00003 -0.00034 139 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00040 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00005 141 4YY 0.00000 0.00000 0.00000 0.00000 -0.00006 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 144 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 153 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 14 O 1S 2.08214 132 2S -0.04367 0.50669 133 2PX 0.00000 0.00000 0.73310 134 2PY 0.00000 0.00000 0.00000 0.58417 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.60807 136 3S -0.04121 0.43286 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.27269 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.18538 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 0.21365 140 4XX -0.00028 0.00068 0.00000 0.00000 0.00000 141 4YY -0.00027 0.00008 0.00000 0.00000 0.00000 142 4ZZ -0.00027 0.00004 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S 0.00000 -0.00001 -0.00019 -0.00002 0.00006 152 3PX -0.00001 0.00020 0.00009 -0.00019 0.00014 153 3PY 0.00000 0.00008 -0.00026 -0.00002 0.00001 154 3PZ 0.00000 -0.00006 -0.00019 0.00004 0.00001 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00001 0.00003 -0.00001 -0.00001 227 3PX 0.00000 0.00004 0.00040 0.00002 0.00000 228 3PY 0.00000 -0.00011 -0.00029 0.00005 0.00000 229 3PZ 0.00000 0.00002 0.00010 -0.00001 -0.00001 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S -0.00002 0.00027 0.00084 -0.00011 0.00009 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00001 0.00001 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 264 2S -0.00001 0.00010 0.00053 -0.00015 -0.00003 136 137 138 139 140 136 3S 0.67474 137 3PX 0.00000 0.40740 138 3PY 0.00000 0.00000 0.23882 139 3PZ 0.00000 0.00000 0.00000 0.30267 140 4XX 0.00268 0.00000 0.00000 0.00000 0.00032 141 4YY -0.00380 0.00000 0.00000 0.00000 -0.00020 142 4ZZ -0.00147 0.00000 0.00000 0.00000 0.00002 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00001 -0.00002 0.00002 0.00000 148 2PX -0.00003 -0.00005 -0.00010 0.00006 0.00000 149 2PY 0.00003 0.00000 -0.00002 0.00004 0.00000 150 2PZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 151 3S -0.00055 -0.00177 -0.00045 0.00060 0.00001 152 3PX 0.00017 0.00082 -0.00181 0.00110 0.00003 153 3PY 0.00073 -0.00177 -0.00006 0.00009 0.00000 154 3PZ -0.00050 -0.00138 0.00021 0.00019 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 -0.00001 0.00000 -0.00001 0.00000 167 3PX -0.00001 -0.00001 0.00003 0.00000 0.00000 168 3PY 0.00000 -0.00005 0.00003 -0.00003 0.00000 169 3PZ 0.00001 0.00001 -0.00001 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00003 0.00001 0.00000 0.00000 212 3PX 0.00000 0.00005 0.00000 0.00000 0.00000 213 3PY 0.00002 0.00008 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S -0.00001 -0.00004 -0.00001 0.00000 0.00000 223 2PX -0.00005 -0.00007 -0.00005 -0.00001 0.00000 224 2PY -0.00001 -0.00007 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S -0.00004 0.00030 -0.00011 -0.00010 0.00000 227 3PX -0.00052 0.00282 -0.00011 0.00001 0.00002 228 3PY -0.00068 -0.00225 0.00026 0.00003 -0.00001 229 3PZ 0.00023 0.00076 -0.00002 -0.00009 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S -0.00009 -0.00024 -0.00001 0.00000 0.00000 237 2S 0.00151 0.00482 -0.00050 0.00042 0.00005 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 251 3S 0.00002 0.00015 0.00007 0.00023 0.00000 252 3PX -0.00002 -0.00001 0.00001 0.00000 0.00000 253 3PY -0.00005 0.00010 -0.00001 0.00009 0.00000 254 3PZ 0.00007 0.00020 0.00020 0.00012 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00004 -0.00001 -0.00006 0.00000 263 28 H 1S -0.00009 -0.00009 0.00002 -0.00068 0.00000 264 2S 0.00116 0.00356 -0.00066 0.00062 0.00003 141 142 143 144 145 141 4YY 0.00300 142 4ZZ -0.00049 0.00184 143 4XY 0.00000 0.00000 0.00172 144 4XZ 0.00000 0.00000 0.00000 0.00056 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00188 146 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 149 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 3S -0.00001 0.00002 -0.00003 -0.00001 0.00001 152 3PX -0.00001 0.00004 -0.00001 0.00000 0.00001 153 3PY -0.00001 0.00000 -0.00002 -0.00001 0.00000 154 3PZ 0.00001 0.00000 -0.00002 0.00000 0.00000 155 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 156 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2S 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 171 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 3S 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00000 0.00000 0.00000 0.00000 0.00000 227 3PX 0.00002 0.00000 0.00003 0.00000 0.00000 228 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 229 3PZ 0.00000 0.00000 0.00001 0.00001 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S -0.00002 -0.00002 0.00002 -0.00001 0.00001 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S -0.00007 0.00000 0.00000 0.00002 -0.00001 146 147 148 149 150 146 15 C 1S 2.06068 147 2S -0.02098 0.29720 148 2PX 0.00000 0.00000 0.33914 149 2PY 0.00000 0.00000 0.00000 0.38145 150 2PZ 0.00000 0.00000 0.00000 0.00000 0.36908 151 3S -0.02790 0.18795 0.00000 0.00000 0.00000 152 3PX 0.00000 0.00000 0.12071 0.00000 0.00000 153 3PY 0.00000 0.00000 0.00000 0.09797 0.00000 154 3PZ 0.00000 0.00000 0.00000 0.00000 0.10208 155 4XX -0.00019 -0.00149 0.00000 0.00000 0.00000 156 4YY -0.00036 0.00236 0.00000 0.00000 0.00000 157 4ZZ -0.00032 0.00103 0.00000 0.00000 0.00000 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S 0.00000 -0.00050 -0.00024 -0.00207 -0.00027 162 2S -0.00049 0.01030 0.00336 0.03055 0.00404 163 2PX -0.00028 0.00400 0.00414 0.01684 -0.00139 164 2PY -0.00211 0.03117 0.01622 0.04818 0.01579 165 2PZ -0.00024 0.00352 -0.00149 0.01540 0.00234 166 3S -0.00132 0.01944 0.00041 0.01963 0.00382 167 3PX 0.00006 -0.00062 0.00816 0.00979 -0.00219 168 3PY -0.00193 0.02075 0.00938 0.00744 0.00781 169 3PZ -0.00060 0.00627 -0.00245 0.00768 0.00435 170 4XX 0.00001 -0.00040 0.00004 -0.00046 -0.00011 171 4YY -0.00020 0.00271 0.00157 0.00176 0.00149 172 4ZZ 0.00001 -0.00046 -0.00015 -0.00065 0.00004 173 4XY -0.00006 0.00057 0.00053 0.00136 0.00021 174 4XZ -0.00001 0.00018 0.00004 0.00060 0.00003 175 4YZ -0.00006 0.00063 0.00023 0.00126 0.00049 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00006 -0.00009 -0.00021 0.00000 178 2PX 0.00000 -0.00013 -0.00004 -0.00033 0.00000 179 2PY 0.00000 -0.00019 -0.00019 -0.00032 0.00002 180 2PZ 0.00000 -0.00001 -0.00002 -0.00001 -0.00001 181 3S 0.00010 -0.00228 0.00010 -0.00087 0.00005 182 3PX 0.00011 -0.00172 0.00032 -0.00217 -0.00012 183 3PY 0.00020 -0.00365 -0.00111 -0.00108 0.00029 184 3PZ 0.00000 -0.00002 -0.00021 0.00009 -0.00019 185 4XX 0.00000 0.00000 -0.00003 0.00004 0.00001 186 4YY 0.00000 0.00002 0.00004 0.00006 0.00000 187 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 188 4XY 0.00000 0.00001 0.00003 0.00005 0.00000 189 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 190 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 193 2PX 0.00000 -0.00001 0.00008 -0.00006 -0.00007 194 2PY 0.00000 -0.00001 -0.00006 0.00002 0.00001 195 2PZ 0.00000 -0.00001 -0.00007 0.00001 0.00003 196 3S 0.00001 0.00003 -0.00052 -0.00025 -0.00026 197 3PX 0.00000 0.00026 0.00177 -0.00150 -0.00184 198 3PY 0.00000 0.00007 -0.00150 0.00028 0.00040 199 3PZ 0.00000 0.00012 -0.00190 0.00044 0.00047 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00006 -0.00011 0.00000 -0.00019 208 2PX 0.00000 -0.00015 -0.00010 0.00000 -0.00033 209 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 210 2PZ 0.00000 -0.00017 -0.00022 0.00001 -0.00026 211 3S 0.00008 -0.00198 -0.00038 0.00001 -0.00115 212 3PX 0.00012 -0.00197 0.00002 -0.00003 -0.00266 213 3PY 0.00000 0.00000 -0.00006 0.00013 0.00001 214 3PZ 0.00015 -0.00291 -0.00182 0.00010 -0.00092 215 4XX 0.00000 0.00000 -0.00003 0.00000 0.00005 216 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 217 4ZZ 0.00000 0.00001 0.00005 0.00000 0.00003 218 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 219 4XZ 0.00000 0.00001 0.00004 0.00000 0.00004 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 -0.00048 -0.00041 -0.00044 -0.00170 222 2S -0.00048 0.01007 0.00583 0.00661 0.02497 223 2PX -0.00043 0.00630 0.00140 0.00009 0.02368 224 2PY -0.00041 0.00612 -0.00005 -0.00020 0.02018 225 2PZ -0.00172 0.02595 0.02339 0.02090 0.02579 226 3S -0.00032 0.01156 0.00492 0.00481 0.01789 227 3PX 0.00008 -0.00018 0.00502 -0.00205 0.01294 228 3PY -0.00077 0.00892 -0.00214 -0.00098 0.01025 229 3PZ -0.00100 0.01455 0.01413 0.01057 0.00193 230 4XX 0.00001 -0.00027 -0.00005 -0.00006 -0.00001 231 4YY 0.00001 -0.00042 -0.00021 -0.00006 -0.00028 232 4ZZ -0.00013 0.00184 0.00190 0.00173 0.00024 233 4XY -0.00003 0.00038 0.00001 0.00001 0.00112 234 4XZ -0.00008 0.00077 0.00009 0.00057 0.00132 235 4YZ -0.00009 0.00091 0.00072 0.00006 0.00127 236 21 H 1S 0.00000 -0.00017 -0.00002 -0.00030 -0.00034 237 2S 0.00012 -0.00175 -0.00007 -0.00342 -0.00341 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00007 0.00009 0.00001 0.00022 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00007 0.00007 0.00025 0.00000 244 25 H 1S 0.00000 -0.00017 0.00000 -0.00045 -0.00022 245 2S 0.00013 -0.00206 0.00000 -0.00459 -0.00297 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 248 2PX 0.00000 -0.00002 -0.00003 0.00000 -0.00007 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 -0.00002 -0.00007 0.00000 -0.00006 251 3S 0.00001 -0.00018 -0.00028 0.00002 -0.00059 252 3PX 0.00004 -0.00101 -0.00090 -0.00005 -0.00235 253 3PY 0.00000 -0.00005 -0.00009 0.00029 -0.00007 254 3PZ 0.00005 -0.00118 -0.00232 -0.00001 -0.00174 255 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00001 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 262 2S 0.00000 -0.00004 -0.00013 0.00000 0.00019 263 28 H 1S 0.00000 -0.00014 -0.00008 -0.00033 -0.00013 264 2S 0.00013 -0.00197 -0.00037 -0.00433 -0.00153 151 152 153 154 155 151 3S 0.23870 152 3PX 0.00000 0.16179 153 3PY 0.00000 0.00000 0.09895 154 3PZ 0.00000 0.00000 0.00000 0.11400 155 4XX -0.00073 0.00000 0.00000 0.00000 0.00101 156 4YY 0.00131 0.00000 0.00000 0.00000 -0.00018 157 4ZZ 0.00092 0.00000 0.00000 0.00000 -0.00011 158 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 16 C 1S -0.00057 -0.00039 -0.00209 -0.00010 0.00001 162 2S 0.01419 0.00495 0.02474 0.00042 -0.00037 163 2PX 0.00410 0.01044 0.00871 -0.00211 0.00004 164 2PY 0.01960 0.00781 0.00599 0.00883 -0.00044 165 2PZ 0.00126 -0.00247 0.00743 0.00362 -0.00011 166 3S 0.03090 0.00058 0.01274 0.00113 -0.00052 167 3PX -0.00072 0.01579 0.00999 -0.00331 -0.00049 168 3PY 0.00521 0.00835 -0.00039 0.00786 -0.00009 169 3PZ 0.00379 -0.00418 0.00556 0.00498 -0.00014 170 4XX -0.00066 -0.00046 -0.00021 -0.00033 0.00001 171 4YY 0.00219 0.00110 0.00008 0.00123 0.00000 172 4ZZ -0.00073 -0.00008 -0.00005 -0.00049 -0.00002 173 4XY 0.00019 0.00072 0.00010 0.00001 0.00000 174 4XZ 0.00007 0.00015 0.00010 0.00002 0.00000 175 4YZ 0.00024 0.00001 0.00011 0.00058 -0.00006 176 17 C 1S 0.00006 0.00005 0.00011 0.00000 0.00000 177 2S -0.00170 -0.00133 -0.00250 -0.00003 0.00001 178 2PX -0.00084 0.00041 -0.00074 -0.00018 0.00001 179 2PY -0.00080 -0.00099 -0.00108 0.00033 0.00002 180 2PZ -0.00004 -0.00025 0.00011 0.00000 0.00000 181 3S -0.00889 0.00124 -0.00087 0.00017 0.00002 182 3PX -0.00356 0.00095 -0.00190 -0.00054 0.00007 183 3PY -0.00318 -0.00108 0.00020 0.00120 0.00006 184 3PZ -0.00015 -0.00086 0.00031 -0.00079 0.00001 185 4XX 0.00003 -0.00034 0.00044 0.00008 0.00000 186 4YY 0.00004 0.00009 0.00022 -0.00005 0.00000 187 4ZZ -0.00004 0.00033 -0.00040 -0.00002 0.00000 188 4XY 0.00000 0.00007 0.00008 -0.00003 0.00000 189 4XZ -0.00001 0.00000 -0.00001 -0.00005 0.00000 190 4YZ 0.00000 0.00004 -0.00001 0.00005 0.00000 191 18 C 1S 0.00001 0.00001 0.00001 0.00000 0.00000 192 2S -0.00005 0.00013 0.00002 0.00009 0.00000 193 2PX -0.00068 0.00188 -0.00130 -0.00179 0.00000 194 2PY -0.00021 -0.00150 0.00033 0.00026 0.00000 195 2PZ -0.00019 -0.00190 0.00008 0.00053 0.00000 196 3S 0.00050 -0.00163 -0.00080 -0.00077 0.00001 197 3PX -0.00179 0.00574 -0.00549 -0.00755 0.00006 198 3PY -0.00015 -0.00643 0.00023 0.00158 -0.00003 199 3PZ -0.00003 -0.00809 0.00113 0.00066 -0.00004 200 4XX 0.00001 0.00007 -0.00001 -0.00003 0.00000 201 4YY 0.00000 -0.00002 0.00003 -0.00003 0.00000 202 4ZZ 0.00000 -0.00005 -0.00003 0.00003 0.00000 203 4XY 0.00001 0.00000 0.00001 -0.00001 0.00000 204 4XZ 0.00001 0.00001 -0.00001 0.00001 0.00000 205 4YZ 0.00001 0.00000 0.00001 0.00001 0.00000 206 19 C 1S 0.00005 0.00007 0.00000 0.00010 0.00000 207 2S -0.00165 -0.00160 -0.00001 -0.00222 0.00001 208 2PX -0.00067 0.00015 -0.00004 -0.00137 0.00001 209 2PY -0.00002 -0.00007 0.00027 0.00005 0.00000 210 2PZ -0.00072 -0.00075 0.00012 -0.00034 0.00003 211 3S -0.00666 -0.00039 0.00007 -0.00308 0.00004 212 3PX -0.00207 0.00093 -0.00012 -0.00457 0.00002 213 3PY -0.00007 -0.00027 0.00076 0.00002 0.00001 214 3PZ -0.00193 -0.00119 0.00040 0.00102 0.00021 215 4XX 0.00005 -0.00040 0.00002 0.00061 0.00000 216 4YY -0.00006 0.00028 0.00000 -0.00039 0.00000 217 4ZZ 0.00004 0.00020 -0.00002 0.00007 0.00000 218 4XY 0.00000 0.00000 -0.00007 0.00000 0.00000 219 4XZ 0.00000 0.00009 -0.00001 0.00001 0.00000 220 4YZ 0.00000 0.00002 0.00003 -0.00001 0.00000 221 20 C 1S -0.00051 -0.00067 -0.00029 -0.00216 0.00001 222 2S 0.01361 0.00784 0.00196 0.02315 -0.00025 223 2PX 0.00590 0.00852 -0.00151 0.01353 -0.00006 224 2PY 0.00326 -0.00344 -0.00193 0.00840 -0.00006 225 2PZ 0.01595 0.01206 0.01055 0.00106 0.00010 226 3S 0.00846 0.00686 0.00072 0.01577 -0.00055 227 3PX -0.00034 0.01549 -0.00359 0.01252 -0.00073 228 3PY 0.00474 -0.00599 -0.00504 0.00582 -0.00009 229 3PZ 0.00132 0.01273 0.00819 0.00208 0.00063 230 4XX -0.00035 -0.00066 -0.00016 0.00055 0.00001 231 4YY -0.00056 -0.00001 -0.00077 0.00066 -0.00004 232 4ZZ 0.00153 0.00146 0.00146 -0.00093 0.00004 233 4XY 0.00013 0.00016 -0.00001 0.00021 0.00000 234 4XZ 0.00025 0.00038 0.00011 0.00008 0.00000 235 4YZ 0.00029 0.00012 0.00020 0.00008 -0.00006 236 21 H 1S -0.00074 0.00038 -0.00436 0.00006 0.00000 237 2S -0.00455 0.00031 -0.00884 -0.00478 -0.00014 238 22 H 1S 0.00000 -0.00002 0.00001 0.00005 0.00000 239 2S 0.00019 0.00025 0.00009 0.00099 -0.00001 240 23 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 241 2S 0.00014 0.00001 0.00002 0.00001 0.00000 242 24 H 1S 0.00000 -0.00002 0.00008 0.00000 0.00000 243 2S 0.00017 0.00022 0.00129 0.00002 -0.00001 244 25 H 1S -0.00044 0.00000 -0.00129 -0.00349 0.00000 245 2S -0.00490 -0.00001 -0.00540 -0.00691 -0.00010 246 26 O 1S 0.00000 -0.00008 0.00000 -0.00008 0.00000 247 2S 0.00009 0.00113 0.00005 0.00106 0.00000 248 2PX -0.00147 -0.00106 -0.00011 -0.00213 0.00000 249 2PY -0.00015 -0.00006 0.00027 0.00001 0.00000 250 2PZ -0.00135 -0.00149 -0.00009 -0.00052 0.00000 251 3S -0.00039 0.00488 0.00020 0.00544 -0.00002 252 3PX -0.00836 -0.00320 -0.00045 -0.00888 0.00001 253 3PY -0.00088 -0.00030 0.00235 -0.00007 -0.00001 254 3PZ -0.00854 -0.00715 -0.00035 -0.00168 -0.00002 255 4XX -0.00021 -0.00016 -0.00001 -0.00026 0.00000 256 4YY 0.00013 0.00003 0.00000 -0.00005 0.00000 257 4ZZ 0.00005 0.00006 0.00001 0.00005 0.00000 258 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 259 4XZ -0.00006 0.00000 0.00000 0.00005 0.00000 260 4YZ 0.00000 0.00001 -0.00004 0.00000 0.00000 261 27 H 1S -0.00012 -0.00011 -0.00001 -0.00064 0.00000 262 2S -0.00036 -0.00118 0.00004 -0.00055 0.00002 263 28 H 1S -0.00392 -0.00056 -0.00641 -0.00235 -0.00001 264 2S -0.01129 0.00099 -0.01534 -0.00462 -0.00043 156 157 158 159 160 156 4YY 0.00132 157 4ZZ -0.00026 0.00119 158 4XY 0.00000 0.00000 0.00130 159 4XZ 0.00000 0.00000 0.00000 0.00116 160 4YZ 0.00000 0.00000 0.00000 0.00000 0.00138 161 16 C 1S -0.00020 0.00001 -0.00005 -0.00002 -0.00006 162 2S 0.00267 -0.00044 0.00056 0.00018 0.00060 163 2PX 0.00155 -0.00010 0.00058 0.00004 0.00022 164 2PY 0.00141 -0.00063 0.00117 0.00059 0.00129 165 2PZ 0.00153 0.00004 0.00023 0.00004 0.00054 166 3S 0.00228 -0.00082 0.00023 0.00005 0.00017 167 3PX 0.00133 -0.00028 0.00075 0.00005 0.00002 168 3PY -0.00011 -0.00037 0.00013 0.00014 0.00011 169 3PZ 0.00106 -0.00045 0.00003 0.00012 0.00070 170 4XX -0.00008 0.00001 -0.00001 0.00000 -0.00004 171 4YY 0.00013 -0.00009 0.00005 0.00001 0.00009 172 4ZZ 0.00001 0.00002 -0.00006 0.00000 0.00000 173 4XY 0.00010 -0.00003 -0.00006 0.00000 -0.00005 174 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00003 -0.00001 -0.00003 -0.00001 -0.00008 176 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00001 0.00000 0.00000 178 2PX 0.00006 -0.00001 0.00000 0.00000 0.00001 179 2PY -0.00002 0.00000 0.00008 0.00000 0.00000 180 2PZ -0.00001 0.00000 0.00001 0.00000 0.00000 181 3S 0.00001 -0.00002 0.00000 0.00000 0.00001 182 3PX 0.00050 -0.00031 -0.00009 0.00001 0.00003 183 3PY -0.00022 0.00022 0.00019 -0.00003 0.00000 184 3PZ -0.00007 0.00002 0.00005 0.00005 -0.00002 185 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 186 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 187 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 3S 0.00000 0.00000 0.00001 0.00000 0.00001 197 3PX -0.00005 -0.00003 0.00000 0.00000 -0.00001 198 3PY 0.00002 -0.00001 0.00001 -0.00001 0.00001 199 3PZ -0.00001 0.00002 -0.00001 0.00001 0.00001 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00001 0.00000 208 2PX -0.00001 0.00008 0.00000 0.00001 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 210 2PZ 0.00000 -0.00003 0.00000 0.00008 0.00000 211 3S -0.00004 0.00001 0.00000 0.00001 0.00000 212 3PX -0.00034 0.00064 0.00001 -0.00007 0.00001 213 3PY 0.00000 -0.00003 0.00005 0.00001 -0.00007 214 3PZ 0.00022 -0.00035 -0.00002 0.00019 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00001 -0.00013 -0.00003 -0.00007 -0.00009 222 2S -0.00040 0.00185 0.00037 0.00077 0.00094 223 2PX -0.00008 0.00180 0.00001 0.00011 0.00067 224 2PY -0.00006 0.00175 0.00001 0.00062 0.00009 225 2PZ -0.00029 0.00007 0.00106 0.00111 0.00139 226 3S -0.00064 0.00182 0.00014 0.00022 0.00031 227 3PX -0.00024 0.00165 0.00005 0.00039 0.00012 228 3PY -0.00067 0.00135 0.00010 0.00012 0.00034 229 3PZ 0.00003 -0.00077 0.00027 0.00008 0.00007 230 4XX 0.00001 -0.00006 0.00000 0.00000 -0.00007 231 4YY 0.00002 0.00001 0.00000 -0.00009 0.00000 232 4ZZ -0.00009 0.00005 0.00000 0.00004 0.00008 233 4XY 0.00000 0.00004 0.00000 0.00000 0.00000 234 4XZ -0.00005 0.00010 0.00000 -0.00001 -0.00002 235 4YZ 0.00000 -0.00001 0.00000 -0.00001 -0.00001 236 21 H 1S 0.00004 -0.00001 0.00000 -0.00001 0.00005 237 2S 0.00043 -0.00022 -0.00001 -0.00003 0.00010 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 244 25 H 1S 0.00000 0.00002 0.00000 0.00000 0.00006 245 2S -0.00024 0.00035 0.00000 0.00000 0.00017 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 251 3S 0.00000 0.00003 0.00000 0.00003 0.00000 252 3PX -0.00003 0.00012 0.00000 0.00001 -0.00001 253 3PY 0.00000 0.00000 0.00001 0.00000 -0.00001 254 3PZ -0.00005 0.00020 -0.00001 0.00012 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00001 -0.00003 0.00000 -0.00002 0.00000 263 28 H 1S 0.00006 0.00000 0.00000 0.00000 0.00003 264 2S 0.00050 0.00005 -0.00003 -0.00003 0.00008 161 162 163 164 165 161 16 C 1S 2.06008 162 2S -0.02076 0.29442 163 2PX 0.00000 0.00000 0.34901 164 2PY 0.00000 0.00000 0.00000 0.37629 165 2PZ 0.00000 0.00000 0.00000 0.00000 0.36420 166 3S -0.02646 0.17498 0.00000 0.00000 0.00000 167 3PX 0.00000 0.00000 0.11100 0.00000 0.00000 168 3PY 0.00000 0.00000 0.00000 0.10043 0.00000 169 3PZ 0.00000 0.00000 0.00000 0.00000 0.12428 170 4XX -0.00025 -0.00091 0.00000 0.00000 0.00000 171 4YY -0.00042 0.00264 0.00000 0.00000 0.00000 172 4ZZ -0.00049 0.00309 0.00000 0.00000 0.00000 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S 0.00000 -0.00050 -0.00135 -0.00062 -0.00066 177 2S -0.00050 0.01042 0.01990 0.00916 0.00981 178 2PX -0.00136 0.02034 0.00747 0.02356 0.02678 179 2PY -0.00062 0.00918 0.02306 -0.00007 0.00315 180 2PZ -0.00067 0.01000 0.02728 0.00363 0.00007 181 3S -0.00062 0.01473 0.01367 0.00750 0.00515 182 3PX -0.00116 0.01359 0.00013 0.01232 0.01347 183 3PY -0.00096 0.01144 0.01101 -0.00237 -0.00291 184 3PZ -0.00026 0.00225 0.01485 -0.00179 0.00049 185 4XX -0.00007 0.00107 -0.00056 0.00149 0.00167 186 4YY 0.00001 -0.00031 0.00028 -0.00023 -0.00002 187 4ZZ 0.00000 -0.00014 0.00033 0.00009 -0.00027 188 4XY -0.00009 0.00093 0.00073 0.00000 0.00125 189 4XZ -0.00010 0.00098 0.00077 0.00106 -0.00001 190 4YZ -0.00006 0.00072 0.00169 0.00001 0.00003 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 -0.00006 -0.00015 0.00000 -0.00017 193 2PX 0.00000 -0.00012 -0.00010 -0.00001 -0.00024 194 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 195 2PZ 0.00000 -0.00020 -0.00036 -0.00001 -0.00026 196 3S 0.00005 -0.00168 -0.00073 -0.00003 -0.00074 197 3PX 0.00009 -0.00201 0.00010 -0.00010 -0.00173 198 3PY 0.00000 -0.00002 -0.00003 0.00003 0.00011 199 3PZ 0.00013 -0.00251 -0.00278 0.00000 -0.00053 200 4XX 0.00000 0.00001 0.00001 0.00000 0.00003 201 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00007 0.00000 -0.00003 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00001 0.00001 0.00000 0.00007 205 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00001 0.00000 0.00000 -0.00002 208 2PX 0.00000 0.00000 0.00002 0.00001 -0.00007 209 2PY 0.00000 0.00000 0.00001 0.00002 -0.00005 210 2PZ 0.00000 -0.00001 -0.00007 -0.00005 0.00006 211 3S 0.00001 -0.00003 -0.00020 -0.00021 -0.00081 212 3PX 0.00000 0.00004 0.00015 0.00037 -0.00168 213 3PY 0.00001 -0.00002 0.00039 0.00010 -0.00119 214 3PZ 0.00001 0.00016 -0.00167 -0.00122 0.00129 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 -0.00007 0.00000 -0.00020 -0.00011 223 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 224 2PY 0.00000 -0.00016 0.00001 -0.00025 -0.00018 225 2PZ 0.00000 -0.00016 0.00000 -0.00035 -0.00011 226 3S 0.00004 -0.00148 0.00002 -0.00080 -0.00033 227 3PX 0.00000 0.00002 -0.00041 0.00003 -0.00014 228 3PY 0.00012 -0.00274 0.00012 -0.00063 -0.00102 229 3PZ 0.00008 -0.00155 -0.00007 -0.00252 -0.00018 230 4XX 0.00000 0.00000 0.00000 -0.00001 0.00001 231 4YY 0.00000 0.00001 0.00000 0.00005 0.00003 232 4ZZ 0.00000 0.00000 0.00000 0.00003 -0.00003 233 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00001 0.00000 0.00005 0.00005 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00007 0.00000 0.00024 0.00008 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00008 0.00016 0.00002 0.00014 242 24 H 1S 0.00000 -0.00018 -0.00026 -0.00035 -0.00002 243 2S 0.00014 -0.00205 -0.00296 -0.00388 -0.00030 244 25 H 1S -0.00191 0.02993 0.01558 0.01603 0.06254 245 2S -0.00097 0.01033 0.00754 0.00763 0.03137 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 -0.00006 -0.00007 -0.00010 -0.00007 252 3PX 0.00000 -0.00016 -0.00009 -0.00009 -0.00025 253 3PY 0.00000 -0.00005 -0.00012 0.00007 -0.00023 254 3PZ 0.00000 -0.00009 -0.00018 -0.00009 0.00001 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00004 -0.00011 0.00014 0.00021 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00006 0.00013 0.00005 -0.00005 166 167 168 169 170 166 3S 0.17454 167 3PX 0.00000 0.13017 168 3PY 0.00000 0.00000 0.10467 169 3PZ 0.00000 0.00000 0.00000 0.14869 170 4XX -0.00041 0.00000 0.00000 0.00000 0.00091 171 4YY 0.00183 0.00000 0.00000 0.00000 -0.00023 172 4ZZ 0.00237 0.00000 0.00000 0.00000 -0.00009 173 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 C 1S -0.00050 -0.00124 -0.00020 -0.00091 -0.00007 177 2S 0.01412 0.01428 0.00165 0.01108 0.00104 178 2PX 0.01179 0.00010 0.01359 0.01347 -0.00052 179 2PY 0.00520 0.01077 -0.00171 -0.00286 0.00150 180 2PZ 0.00722 0.01539 -0.00117 0.00044 0.00161 181 3S 0.01299 0.00816 0.00060 0.00546 0.00113 182 3PX 0.00579 0.00690 0.01216 0.01162 -0.00126 183 3PY 0.00735 0.00842 -0.00403 -0.00725 0.00133 184 3PZ 0.00172 0.01457 -0.00503 0.00238 0.00171 185 4XX 0.00109 -0.00135 0.00165 0.00155 0.00001 186 4YY -0.00035 0.00091 -0.00102 0.00036 0.00003 187 4ZZ -0.00022 0.00077 -0.00010 -0.00108 -0.00005 188 4XY 0.00027 0.00000 0.00008 0.00026 -0.00002 189 4XZ 0.00029 0.00000 0.00019 0.00012 0.00006 190 4YZ 0.00022 0.00037 -0.00001 0.00008 0.00003 191 18 C 1S 0.00005 0.00009 0.00000 0.00013 0.00000 192 2S -0.00163 -0.00185 0.00001 -0.00284 0.00000 193 2PX -0.00064 0.00003 -0.00011 -0.00200 -0.00003 194 2PY -0.00001 -0.00003 -0.00002 0.00010 0.00000 195 2PZ -0.00045 -0.00277 -0.00002 -0.00041 0.00006 196 3S -0.00530 -0.00169 -0.00004 -0.00198 0.00001 197 3PX -0.00196 0.00108 -0.00036 -0.00354 -0.00037 198 3PY 0.00000 -0.00012 0.00006 0.00042 0.00003 199 3PZ -0.00133 -0.00629 0.00004 0.00148 0.00059 200 4XX 0.00004 0.00004 0.00001 0.00016 0.00000 201 4YY -0.00006 -0.00032 0.00000 0.00021 0.00000 202 4ZZ 0.00005 0.00060 -0.00003 -0.00031 0.00000 203 4XY 0.00000 0.00001 0.00004 -0.00002 0.00000 204 4XZ 0.00002 -0.00007 0.00002 0.00018 0.00000 205 4YZ 0.00000 0.00001 -0.00008 0.00000 0.00000 206 19 C 1S 0.00001 0.00001 0.00001 0.00002 0.00000 207 2S -0.00011 0.00002 -0.00003 0.00001 0.00000 208 2PX -0.00011 0.00014 0.00045 -0.00175 0.00000 209 2PY -0.00028 0.00041 0.00010 -0.00125 0.00000 210 2PZ -0.00077 -0.00171 -0.00136 0.00125 0.00000 211 3S 0.00015 -0.00066 -0.00078 -0.00261 -0.00001 212 3PX -0.00025 -0.00112 0.00183 -0.00704 0.00001 213 3PY -0.00074 0.00173 -0.00054 -0.00494 0.00000 214 3PZ -0.00204 -0.00686 -0.00533 0.00397 -0.00001 215 4XX 0.00001 0.00002 0.00000 -0.00002 0.00000 216 4YY -0.00001 -0.00001 0.00001 -0.00004 0.00000 217 4ZZ 0.00003 -0.00003 -0.00003 0.00008 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00001 0.00000 0.00000 -0.00001 0.00000 220 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00004 0.00000 0.00007 0.00010 0.00000 222 2S -0.00146 -0.00005 -0.00167 -0.00218 0.00000 223 2PX -0.00001 -0.00035 0.00010 -0.00011 0.00000 224 2PY -0.00054 0.00015 -0.00082 -0.00071 0.00000 225 2PZ -0.00097 -0.00006 -0.00230 -0.00006 -0.00001 226 3S -0.00544 -0.00005 -0.00024 -0.00160 -0.00002 227 3PX 0.00001 -0.00182 0.00031 -0.00049 0.00001 228 3PY -0.00156 0.00055 0.00026 0.00068 0.00021 229 3PZ -0.00285 -0.00028 -0.00559 0.00055 -0.00033 230 4XX -0.00001 -0.00001 -0.00037 0.00028 0.00000 231 4YY 0.00003 -0.00002 0.00030 0.00003 0.00000 232 4ZZ -0.00001 0.00005 0.00038 -0.00029 0.00000 233 4XY 0.00000 0.00004 -0.00001 0.00001 0.00000 234 4XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 235 4YZ 0.00002 -0.00002 0.00005 0.00011 0.00000 236 21 H 1S 0.00000 0.00001 0.00012 -0.00003 0.00000 237 2S 0.00016 0.00004 0.00133 0.00039 0.00000 238 22 H 1S 0.00001 0.00000 0.00000 0.00001 0.00000 239 2S 0.00015 0.00000 0.00002 0.00002 0.00000 240 23 H 1S 0.00000 0.00006 0.00003 0.00000 0.00000 241 2S 0.00022 0.00090 0.00017 0.00066 0.00000 242 24 H 1S -0.00081 -0.00073 -0.00499 0.00061 0.00000 243 2S -0.00284 -0.00362 -0.00947 0.00046 -0.00015 244 25 H 1S 0.03534 0.01319 0.01353 0.05340 -0.00036 245 2S 0.01550 0.00993 0.00796 0.03901 -0.00044 246 26 O 1S 0.00000 0.00001 -0.00001 0.00002 0.00000 247 2S -0.00001 -0.00017 0.00015 -0.00033 0.00000 248 2PX -0.00032 0.00012 0.00005 0.00016 0.00000 249 2PY -0.00030 0.00044 0.00036 -0.00027 0.00000 250 2PZ -0.00025 0.00012 -0.00001 0.00006 0.00000 251 3S -0.00041 -0.00030 0.00037 -0.00192 0.00000 252 3PX -0.00237 0.00078 0.00031 0.00062 0.00000 253 3PY -0.00225 0.00249 0.00104 -0.00137 0.00001 254 3PZ -0.00188 0.00046 0.00020 0.00028 0.00000 255 4XX -0.00004 -0.00001 0.00005 0.00002 0.00000 256 4YY 0.00004 0.00000 -0.00003 0.00002 0.00000 257 4ZZ 0.00000 -0.00005 0.00002 -0.00002 0.00000 258 4XY -0.00001 0.00003 0.00003 -0.00001 0.00000 259 4XZ -0.00003 0.00000 -0.00002 0.00001 0.00000 260 4YZ 0.00001 0.00001 0.00000 -0.00001 0.00000 261 27 H 1S 0.00003 -0.00006 0.00008 0.00000 0.00000 262 2S 0.00040 -0.00068 0.00065 0.00154 0.00000 263 28 H 1S -0.00003 0.00014 0.00008 -0.00003 0.00000 264 2S -0.00025 0.00122 0.00034 -0.00035 0.00000 171 172 173 174 175 171 4YY 0.00128 172 4ZZ -0.00021 0.00153 173 4XY 0.00000 0.00000 0.00113 174 4XZ 0.00000 0.00000 0.00000 0.00129 175 4YZ 0.00000 0.00000 0.00000 0.00000 0.00156 176 17 C 1S 0.00000 0.00000 -0.00009 -0.00009 -0.00006 177 2S -0.00027 -0.00016 0.00094 0.00094 0.00071 178 2PX 0.00004 0.00053 0.00071 0.00073 0.00160 179 2PY -0.00023 0.00009 -0.00001 0.00118 0.00001 180 2PZ -0.00001 -0.00027 0.00107 0.00000 0.00003 181 3S -0.00052 -0.00003 0.00025 0.00034 0.00022 182 3PX 0.00041 0.00118 0.00000 0.00000 0.00035 183 3PY -0.00095 0.00038 0.00014 0.00026 0.00009 184 3PZ -0.00020 -0.00100 0.00021 0.00010 0.00001 185 4XX -0.00007 0.00007 0.00005 0.00001 0.00000 186 4YY 0.00003 -0.00011 0.00001 -0.00010 0.00000 187 4ZZ -0.00001 0.00002 -0.00011 0.00002 0.00000 188 4XY 0.00001 -0.00008 0.00003 -0.00001 0.00002 189 4XZ -0.00010 0.00001 0.00000 0.00004 0.00000 190 4YZ 0.00000 -0.00001 0.00000 0.00002 0.00000 191 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 192 2S 0.00000 0.00001 0.00000 0.00001 0.00000 193 2PX 0.00000 0.00005 0.00000 0.00004 0.00000 194 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 195 2PZ -0.00001 0.00003 0.00000 0.00004 0.00000 196 3S -0.00004 0.00005 0.00000 0.00001 0.00000 197 3PX 0.00026 0.00020 -0.00001 0.00009 0.00002 198 3PY 0.00000 -0.00002 -0.00007 -0.00001 0.00004 199 3PZ -0.00037 0.00010 0.00000 -0.00001 -0.00001 200 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 201 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 209 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 3S -0.00001 0.00003 0.00001 0.00001 0.00001 212 3PX -0.00001 -0.00002 0.00000 0.00000 -0.00001 213 3PY 0.00001 -0.00003 0.00000 -0.00001 0.00000 214 3PZ -0.00003 0.00006 0.00000 0.00000 0.00000 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00001 0.00000 0.00000 0.00002 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 224 2PY -0.00002 0.00002 0.00000 0.00000 0.00007 225 2PZ 0.00004 0.00002 0.00001 0.00000 0.00002 226 3S 0.00001 0.00002 0.00000 0.00000 0.00003 227 3PX -0.00004 0.00001 0.00002 0.00003 0.00003 228 3PY -0.00021 0.00004 0.00000 -0.00001 0.00019 229 3PZ 0.00040 0.00018 0.00002 0.00001 -0.00003 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00001 -0.00001 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00000 0.00000 0.00000 0.00000 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 242 24 H 1S 0.00005 -0.00001 0.00005 -0.00001 0.00000 243 2S 0.00051 -0.00022 0.00010 -0.00005 -0.00002 244 25 H 1S -0.00061 0.00499 0.00082 0.00211 0.00228 245 2S -0.00116 0.00392 0.00017 0.00027 0.00034 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX -0.00002 0.00001 0.00000 0.00001 0.00001 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ -0.00001 0.00001 -0.00001 0.00001 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00001 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S -0.00001 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 17 C 1S 2.05997 177 2S -0.02095 0.29710 178 2PX 0.00000 0.00000 0.34467 179 2PY 0.00000 0.00000 0.00000 0.37548 180 2PZ 0.00000 0.00000 0.00000 0.00000 0.36582 181 3S -0.02640 0.17691 0.00000 0.00000 0.00000 182 3PX 0.00000 0.00000 0.10550 0.00000 0.00000 183 3PY 0.00000 0.00000 0.00000 0.11927 0.00000 184 3PZ 0.00000 0.00000 0.00000 0.00000 0.09880 185 4XX -0.00023 -0.00130 0.00000 0.00000 0.00000 186 4YY -0.00061 0.00520 0.00000 0.00000 0.00000 187 4ZZ -0.00034 0.00098 0.00000 0.00000 0.00000 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S 0.00000 -0.00050 -0.00044 -0.00044 -0.00179 192 2S -0.00050 0.01043 0.00647 0.00639 0.02638 193 2PX -0.00043 0.00636 0.00149 -0.00036 0.02368 194 2PY -0.00045 0.00670 -0.00001 -0.00020 0.02120 195 2PZ -0.00179 0.02642 0.02427 0.02026 0.02573 196 3S -0.00056 0.01407 0.00535 0.00295 0.01772 197 3PX -0.00062 0.00752 0.00650 -0.00307 0.01250 198 3PY -0.00007 0.00032 -0.00215 -0.00102 0.01084 199 3PZ -0.00165 0.01919 0.01415 0.00861 0.00156 200 4XX 0.00001 -0.00027 -0.00006 -0.00008 0.00010 201 4YY 0.00001 -0.00042 -0.00010 -0.00006 -0.00042 202 4ZZ -0.00013 0.00184 0.00181 0.00180 0.00016 203 4XY -0.00003 0.00039 0.00001 0.00000 0.00107 204 4XZ -0.00008 0.00077 0.00011 0.00067 0.00120 205 4YZ -0.00009 0.00092 0.00063 0.00009 0.00134 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00000 -0.00007 0.00000 -0.00016 -0.00016 208 2PX 0.00000 0.00000 -0.00001 0.00001 0.00000 209 2PY 0.00000 -0.00021 -0.00001 -0.00027 -0.00037 210 2PZ 0.00000 -0.00012 -0.00001 -0.00018 -0.00014 211 3S 0.00005 -0.00169 -0.00002 -0.00076 -0.00064 212 3PX 0.00000 -0.00003 -0.00021 0.00012 -0.00005 213 3PY 0.00013 -0.00236 0.00005 -0.00091 -0.00239 214 3PZ 0.00009 -0.00205 -0.00012 -0.00089 -0.00019 215 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 216 4YY 0.00000 0.00000 0.00000 -0.00002 0.00005 217 4ZZ 0.00000 0.00001 0.00000 0.00002 0.00002 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00002 0.00001 0.00007 0.00002 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 -0.00001 0.00000 -0.00002 0.00000 223 2PX 0.00000 0.00000 0.00001 -0.00005 0.00001 224 2PY 0.00000 -0.00002 -0.00005 0.00002 -0.00004 225 2PZ 0.00000 0.00000 0.00001 -0.00004 0.00001 226 3S 0.00001 -0.00012 -0.00005 -0.00095 -0.00018 227 3PX 0.00000 0.00001 -0.00023 -0.00113 0.00035 228 3PY 0.00002 -0.00001 -0.00120 0.00042 -0.00100 229 3PZ 0.00000 -0.00001 0.00040 -0.00105 -0.00017 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S 0.00000 0.00008 0.00002 0.00012 0.00020 240 23 H 1S 0.00000 -0.00018 -0.00024 0.00000 -0.00040 241 2S 0.00014 -0.00201 -0.00264 -0.00001 -0.00459 242 24 H 1S -0.00191 0.03012 0.00900 0.07553 0.00962 243 2S -0.00101 0.01141 0.00460 0.03910 0.00501 244 25 H 1S 0.00000 -0.00017 -0.00028 -0.00001 -0.00033 245 2S 0.00013 -0.00198 -0.00345 -0.00014 -0.00359 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 3S 0.17434 182 3PX 0.00000 0.11910 183 3PY 0.00000 0.00000 0.13280 184 3PZ 0.00000 0.00000 0.00000 0.10139 185 4XX -0.00085 0.00000 0.00000 0.00000 0.00099 186 4YY 0.00379 0.00000 0.00000 0.00000 -0.00019 187 4ZZ 0.00083 0.00000 0.00000 0.00000 -0.00019 188 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 189 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 18 C 1S -0.00059 -0.00014 -0.00072 -0.00149 0.00000 192 2S 0.01474 0.00118 0.00879 0.01703 -0.00026 193 2PX 0.00369 0.00697 -0.00297 0.01249 -0.00005 194 2PY 0.00560 -0.00219 -0.00113 0.01106 -0.00003 195 2PZ 0.01737 0.01377 0.00888 0.00153 -0.00009 196 3S 0.01573 0.00181 0.00477 0.01134 -0.00047 197 3PX 0.00466 0.01542 -0.00557 0.01157 -0.00076 198 3PY 0.00146 -0.00402 -0.00356 0.01017 -0.00015 199 3PZ 0.01250 0.01431 0.00621 0.00106 0.00040 200 4XX -0.00035 -0.00073 0.00002 0.00082 0.00001 201 4YY -0.00077 -0.00031 -0.00065 -0.00016 0.00001 202 4ZZ 0.00180 0.00161 0.00133 -0.00077 -0.00005 203 4XY 0.00012 0.00005 0.00012 0.00023 0.00000 204 4XZ 0.00026 0.00037 0.00014 0.00008 0.00000 205 4YZ 0.00027 0.00011 0.00036 0.00006 -0.00008 206 19 C 1S 0.00006 0.00000 0.00012 0.00010 0.00000 207 2S -0.00175 0.00001 -0.00269 -0.00177 0.00000 208 2PX 0.00001 -0.00024 0.00011 -0.00007 0.00000 209 2PY -0.00088 0.00001 -0.00081 -0.00240 -0.00001 210 2PZ -0.00060 -0.00012 -0.00091 -0.00029 0.00001 211 3S -0.00520 -0.00006 -0.00207 -0.00120 -0.00002 212 3PX 0.00001 -0.00135 0.00046 -0.00023 -0.00001 213 3PY -0.00187 0.00017 0.00009 -0.00530 -0.00034 214 3PZ -0.00167 -0.00044 -0.00005 0.00047 0.00029 215 4XX -0.00002 0.00001 0.00024 -0.00033 0.00000 216 4YY 0.00000 -0.00005 -0.00022 0.00041 0.00000 217 4ZZ 0.00003 0.00001 0.00001 0.00016 0.00000 218 4XY 0.00000 0.00003 -0.00001 0.00002 0.00000 219 4XZ 0.00000 0.00004 -0.00001 0.00001 0.00000 220 4YZ 0.00004 0.00003 0.00016 -0.00004 0.00000 221 20 C 1S 0.00001 0.00000 0.00002 0.00001 0.00000 222 2S 0.00001 0.00006 0.00015 -0.00003 0.00000 223 2PX -0.00013 -0.00025 -0.00114 0.00037 0.00000 224 2PY -0.00104 -0.00117 0.00050 -0.00098 0.00000 225 2PZ -0.00011 0.00036 -0.00099 -0.00018 0.00000 226 3S 0.00066 0.00002 -0.00251 -0.00058 0.00000 227 3PX -0.00053 -0.00252 -0.00459 0.00151 0.00001 228 3PY -0.00367 -0.00494 0.00104 -0.00400 -0.00002 229 3PZ -0.00025 0.00165 -0.00408 -0.00200 0.00000 230 4XX -0.00001 0.00000 -0.00002 0.00000 0.00000 231 4YY 0.00005 -0.00002 0.00007 -0.00004 0.00000 232 4ZZ -0.00001 0.00000 -0.00004 0.00001 0.00000 233 4XY 0.00001 -0.00001 -0.00001 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00001 0.00000 -0.00001 0.00000 0.00000 236 21 H 1S 0.00001 0.00000 0.00002 0.00000 0.00000 237 2S 0.00014 0.00000 -0.00007 0.00000 0.00000 238 22 H 1S 0.00000 0.00002 -0.00001 0.00008 0.00000 239 2S 0.00027 0.00011 0.00051 0.00106 0.00000 240 23 H 1S -0.00076 -0.00302 0.00008 -0.00186 0.00003 241 2S -0.00278 -0.00582 0.00009 -0.00624 0.00030 242 24 H 1S 0.03404 0.00725 0.06243 0.00821 -0.00066 243 2S 0.01745 0.00540 0.04732 0.00626 -0.00105 244 25 H 1S -0.00052 -0.00111 0.00049 -0.00433 0.00001 245 2S -0.00116 -0.00425 0.00047 -0.00728 -0.00008 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00003 -0.00001 0.00002 0.00000 252 3PX 0.00005 0.00006 0.00001 -0.00001 0.00000 253 3PY 0.00007 0.00010 0.00000 0.00011 0.00000 254 3PZ 0.00004 0.00003 0.00003 0.00001 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00001 -0.00001 0.00000 -0.00002 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00002 -0.00002 0.00001 0.00002 0.00000 186 187 188 189 190 186 4YY 0.00208 187 4ZZ -0.00024 0.00117 188 4XY 0.00000 0.00000 0.00126 189 4XZ 0.00000 0.00000 0.00000 0.00099 190 4YZ 0.00000 0.00000 0.00000 0.00000 0.00148 191 18 C 1S 0.00001 -0.00013 -0.00003 -0.00008 -0.00008 192 2S -0.00044 0.00184 0.00038 0.00079 0.00089 193 2PX -0.00014 0.00182 0.00001 0.00012 0.00076 194 2PY -0.00006 0.00172 0.00001 0.00059 0.00008 195 2PZ -0.00022 0.00011 0.00112 0.00118 0.00132 196 3S -0.00053 0.00169 0.00012 0.00022 0.00030 197 3PX 0.00008 0.00145 0.00013 0.00041 0.00014 198 3PY -0.00077 0.00148 0.00002 0.00008 0.00027 199 3PZ 0.00056 -0.00098 0.00023 0.00006 0.00009 200 4XX -0.00005 0.00006 0.00000 0.00000 -0.00007 201 4YY 0.00002 -0.00009 0.00000 -0.00006 0.00000 202 4ZZ 0.00000 0.00005 0.00004 0.00011 -0.00001 203 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 204 4XZ -0.00010 0.00006 0.00000 -0.00001 -0.00002 205 4YZ 0.00000 0.00007 0.00000 -0.00004 -0.00001 206 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 207 2S 0.00002 0.00000 0.00000 0.00000 0.00002 208 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 209 2PY 0.00005 0.00003 0.00000 0.00000 0.00005 210 2PZ 0.00003 -0.00003 0.00000 0.00000 0.00005 211 3S 0.00004 0.00000 0.00000 0.00000 0.00003 212 3PX -0.00002 0.00005 0.00005 0.00000 -0.00002 213 3PY 0.00025 0.00036 -0.00001 -0.00002 0.00003 214 3PZ 0.00003 -0.00029 0.00001 0.00000 0.00010 215 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 216 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 224 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 3S 0.00004 -0.00001 0.00001 0.00000 0.00000 227 3PX -0.00002 -0.00001 0.00000 0.00000 0.00000 228 3PY 0.00007 -0.00003 -0.00001 0.00000 -0.00001 229 3PZ -0.00002 0.00001 0.00000 0.00000 0.00000 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 239 2S -0.00001 0.00000 0.00000 0.00000 0.00000 240 23 H 1S -0.00001 0.00001 0.00000 0.00005 0.00000 241 2S -0.00016 -0.00008 0.00000 0.00011 -0.00001 242 24 H 1S 0.00722 -0.00075 0.00150 0.00036 0.00168 243 2S 0.00516 -0.00141 0.00021 0.00008 0.00025 244 25 H 1S -0.00001 0.00004 -0.00001 0.00004 0.00000 245 2S -0.00020 0.00040 -0.00003 0.00009 -0.00002 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 195 191 18 C 1S 2.05994 192 2S -0.02093 0.29679 193 2PX 0.00000 0.00000 0.34339 194 2PY 0.00000 0.00000 0.00000 0.37922 195 2PZ 0.00000 0.00000 0.00000 0.00000 0.36459 196 3S -0.02634 0.17665 0.00000 0.00000 0.00000 197 3PX 0.00000 0.00000 0.12213 0.00000 0.00000 198 3PY 0.00000 0.00000 0.00000 0.09840 0.00000 199 3PZ 0.00000 0.00000 0.00000 0.00000 0.10469 200 4XX -0.00035 0.00038 0.00000 0.00000 0.00000 201 4YY -0.00045 0.00304 0.00000 0.00000 0.00000 202 4ZZ -0.00038 0.00153 0.00000 0.00000 0.00000 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S 0.00000 -0.00049 -0.00026 -0.00211 -0.00026 207 2S -0.00049 0.01030 0.00377 0.03133 0.00398 208 2PX -0.00026 0.00390 0.00375 0.01682 -0.00140 209 2PY -0.00211 0.03134 0.01622 0.04851 0.01582 210 2PZ -0.00026 0.00377 -0.00158 0.01500 0.00203 211 3S -0.00058 0.01458 0.00198 0.02075 0.00348 212 3PX -0.00001 -0.00017 0.00868 0.00935 -0.00212 213 3PY -0.00184 0.02111 0.00788 0.00681 0.00847 214 3PZ -0.00048 0.00593 -0.00246 0.00688 0.00324 215 4XX 0.00001 -0.00036 0.00004 -0.00056 -0.00006 216 4YY -0.00020 0.00268 0.00154 0.00167 0.00146 217 4ZZ 0.00001 -0.00047 -0.00013 -0.00058 0.00004 218 4XY -0.00006 0.00060 0.00056 0.00124 0.00023 219 4XZ -0.00001 0.00018 0.00005 0.00059 0.00004 220 4YZ -0.00006 0.00061 0.00030 0.00133 0.00050 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 -0.00006 -0.00010 -0.00022 0.00000 223 2PX 0.00000 -0.00013 -0.00007 -0.00033 0.00000 224 2PY 0.00000 -0.00019 -0.00019 -0.00034 0.00001 225 2PZ 0.00000 -0.00001 -0.00002 -0.00002 0.00000 226 3S 0.00005 -0.00172 -0.00040 -0.00068 -0.00005 227 3PX 0.00008 -0.00151 -0.00005 -0.00234 -0.00009 228 3PY 0.00015 -0.00332 -0.00142 -0.00126 0.00023 229 3PZ 0.00000 0.00001 -0.00026 -0.00002 -0.00019 230 4XX 0.00000 0.00000 -0.00003 0.00003 0.00001 231 4YY 0.00000 0.00002 0.00004 0.00006 0.00000 232 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 233 4XY 0.00000 0.00001 0.00003 0.00005 0.00000 234 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 235 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00006 0.00006 0.00023 0.00000 238 22 H 1S 0.00000 -0.00017 0.00000 -0.00041 -0.00023 239 2S 0.00013 -0.00193 0.00000 -0.00470 -0.00255 240 23 H 1S -0.00192 0.03024 0.04810 0.02228 0.02378 241 2S -0.00102 0.01148 0.02483 0.01147 0.01223 242 24 H 1S 0.00000 -0.00018 -0.00001 -0.00031 -0.00032 243 2S 0.00013 -0.00198 -0.00012 -0.00355 -0.00371 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00007 0.00009 0.00001 0.00022 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 196 197 198 199 200 196 3S 0.16854 197 3PX 0.00000 0.14895 198 3PY 0.00000 0.00000 0.09362 199 3PZ 0.00000 0.00000 0.00000 0.11079 200 4XX 0.00051 0.00000 0.00000 0.00000 0.00102 201 4YY 0.00218 0.00000 0.00000 0.00000 -0.00012 202 4ZZ 0.00115 0.00000 0.00000 0.00000 -0.00008 203 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 204 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 19 C 1S -0.00054 -0.00043 -0.00188 0.00001 0.00001 207 2S 0.01380 0.00529 0.02187 -0.00046 -0.00038 208 2PX 0.00342 0.00830 0.00976 -0.00210 0.00004 209 2PY 0.02175 0.00825 0.00696 0.00854 -0.00040 210 2PZ 0.00169 -0.00254 0.00670 0.00335 -0.00011 211 3S 0.01565 0.00318 0.01453 0.00061 -0.00059 212 3PX 0.00048 0.01603 0.00965 -0.00325 -0.00048 213 3PY 0.01468 0.00684 -0.00037 0.00811 0.00013 214 3PZ 0.00329 -0.00394 0.00507 0.00402 -0.00006 215 4XX -0.00068 -0.00045 -0.00028 -0.00020 0.00001 216 4YY 0.00233 0.00108 -0.00002 0.00117 0.00002 217 4ZZ -0.00074 -0.00004 -0.00003 -0.00050 -0.00002 218 4XY 0.00017 0.00075 0.00009 0.00002 0.00000 219 4XZ 0.00006 0.00013 0.00012 0.00003 0.00000 220 4YZ 0.00021 0.00005 0.00014 0.00064 -0.00006 221 20 C 1S 0.00006 0.00008 0.00015 0.00000 0.00000 222 2S -0.00170 -0.00170 -0.00285 -0.00009 0.00001 223 2PX -0.00071 0.00005 -0.00237 -0.00013 0.00001 224 2PY -0.00071 -0.00106 -0.00117 0.00027 0.00002 225 2PZ -0.00007 -0.00025 -0.00002 -0.00011 0.00000 226 3S -0.00562 -0.00120 -0.00236 -0.00015 0.00003 227 3PX -0.00174 0.00040 -0.00488 -0.00036 0.00008 228 3PY -0.00205 -0.00132 0.00017 0.00106 0.00007 229 3PZ -0.00012 -0.00089 0.00015 -0.00105 0.00002 230 4XX 0.00000 -0.00033 0.00042 0.00008 0.00000 231 4YY 0.00005 0.00008 0.00024 -0.00004 0.00000 232 4ZZ -0.00004 0.00032 -0.00039 -0.00002 0.00000 233 4XY 0.00001 0.00006 0.00003 -0.00002 0.00000 234 4XZ -0.00001 0.00000 -0.00001 -0.00004 0.00000 235 4YZ 0.00000 0.00003 -0.00002 0.00005 0.00000 236 21 H 1S 0.00000 -0.00002 0.00008 0.00000 0.00000 237 2S 0.00022 0.00025 0.00124 0.00001 -0.00001 238 22 H 1S -0.00074 0.00001 -0.00123 -0.00364 0.00000 239 2S -0.00245 0.00001 -0.00560 -0.00658 -0.00008 240 23 H 1S 0.03460 0.03955 0.01837 0.01946 0.00290 241 2S 0.01778 0.02990 0.01386 0.01463 0.00286 242 24 H 1S -0.00058 0.00036 -0.00450 -0.00053 0.00000 243 2S -0.00207 0.00033 -0.00854 -0.00386 -0.00014 244 25 H 1S 0.00000 -0.00001 0.00001 0.00007 0.00000 245 2S 0.00020 0.00039 0.00007 0.00113 -0.00001 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00001 0.00000 -0.00001 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 -0.00005 0.00003 0.00003 0.00000 201 202 203 204 205 201 4YY 0.00124 202 4ZZ -0.00026 0.00110 203 4XY 0.00000 0.00000 0.00150 204 4XZ 0.00000 0.00000 0.00000 0.00140 205 4YZ 0.00000 0.00000 0.00000 0.00000 0.00137 206 19 C 1S -0.00020 0.00001 -0.00005 -0.00001 -0.00006 207 2S 0.00267 -0.00045 0.00057 0.00019 0.00064 208 2PX 0.00148 -0.00007 0.00053 0.00003 0.00024 209 2PY 0.00172 -0.00075 0.00127 0.00057 0.00129 210 2PZ 0.00152 0.00004 0.00029 0.00003 0.00053 211 3S 0.00239 -0.00088 0.00019 0.00006 0.00018 212 3PX 0.00117 -0.00023 0.00069 0.00004 0.00003 213 3PY 0.00008 -0.00055 0.00014 0.00012 0.00009 214 3PZ 0.00103 -0.00041 0.00005 0.00012 0.00070 215 4XX -0.00008 0.00002 -0.00001 0.00000 -0.00004 216 4YY 0.00015 -0.00009 0.00006 0.00000 0.00009 217 4ZZ 0.00000 0.00002 -0.00007 0.00000 -0.00001 218 4XY 0.00011 -0.00003 -0.00008 0.00000 -0.00006 219 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00002 -0.00001 -0.00003 -0.00001 -0.00009 221 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00002 0.00000 0.00000 223 2PX 0.00006 -0.00001 0.00000 0.00000 0.00001 224 2PY -0.00002 0.00000 0.00008 0.00000 0.00000 225 2PZ -0.00001 0.00000 0.00001 0.00000 0.00000 226 3S 0.00002 -0.00004 0.00003 0.00000 0.00001 227 3PX 0.00049 -0.00030 -0.00007 0.00001 0.00004 228 3PY -0.00022 0.00021 0.00020 -0.00003 0.00000 229 3PZ -0.00008 0.00002 0.00005 0.00004 -0.00003 230 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 231 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 232 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 237 2S 0.00000 0.00000 0.00000 0.00000 0.00000 238 22 H 1S -0.00001 0.00003 0.00000 0.00000 0.00006 239 2S -0.00028 0.00036 0.00000 0.00000 0.00016 240 23 H 1S -0.00018 0.00004 0.00245 0.00253 0.00159 241 2S -0.00055 -0.00009 0.00035 0.00035 0.00030 242 24 H 1S 0.00004 -0.00001 0.00000 -0.00001 0.00006 243 2S 0.00048 -0.00027 -0.00001 -0.00004 0.00013 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 207 208 209 210 206 19 C 1S 2.06000 207 2S -0.02099 0.29768 208 2PX 0.00000 0.00000 0.34401 209 2PY 0.00000 0.00000 0.00000 0.37996 210 2PZ 0.00000 0.00000 0.00000 0.00000 0.36223 211 3S -0.02640 0.17721 0.00000 0.00000 0.00000 212 3PX 0.00000 0.00000 0.10808 0.00000 0.00000 213 3PY 0.00000 0.00000 0.00000 0.09428 0.00000 214 3PZ 0.00000 0.00000 0.00000 0.00000 0.12079 215 4XX -0.00025 -0.00101 0.00000 0.00000 0.00000 216 4YY -0.00043 0.00281 0.00000 0.00000 0.00000 217 4ZZ -0.00050 0.00315 0.00000 0.00000 0.00000 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S 0.00000 -0.00051 -0.00137 -0.00064 -0.00067 222 2S -0.00051 0.01055 0.02042 0.00953 0.00995 223 2PX -0.00136 0.02000 0.00700 0.02424 0.02708 224 2PY -0.00064 0.00941 0.02370 -0.00004 0.00316 225 2PZ -0.00067 0.00993 0.02754 0.00359 0.00004 226 3S -0.00047 0.01365 0.01158 0.00642 0.00464 227 3PX -0.00118 0.01331 0.00016 0.01314 0.01368 228 3PY -0.00095 0.01157 0.01111 -0.00206 -0.00316 229 3PZ -0.00028 0.00255 0.01568 -0.00127 0.00071 230 4XX -0.00007 0.00102 -0.00054 0.00146 0.00160 231 4YY 0.00000 -0.00028 0.00035 -0.00024 -0.00001 232 4ZZ 0.00000 -0.00016 0.00022 0.00010 -0.00026 233 4XY -0.00009 0.00093 0.00069 0.00000 0.00128 234 4XZ -0.00009 0.00093 0.00071 0.00101 -0.00002 235 4YZ -0.00006 0.00073 0.00166 0.00001 0.00003 236 21 H 1S 0.00000 -0.00017 -0.00024 -0.00035 -0.00002 237 2S 0.00012 -0.00173 -0.00272 -0.00355 -0.00026 238 22 H 1S -0.00191 0.03027 0.01508 0.01602 0.06322 239 2S -0.00101 0.01139 0.00767 0.00821 0.03223 240 23 H 1S 0.00000 -0.00017 -0.00019 -0.00044 0.00000 241 2S 0.00013 -0.00198 -0.00213 -0.00511 0.00001 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00008 0.00000 0.00025 0.00009 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 211 212 213 214 215 211 3S 0.17237 212 3PX 0.00000 0.12332 213 3PY 0.00000 0.00000 0.08887 214 3PZ 0.00000 0.00000 0.00000 0.14065 215 4XX -0.00069 0.00000 0.00000 0.00000 0.00095 216 4YY 0.00214 0.00000 0.00000 0.00000 -0.00022 217 4ZZ 0.00237 0.00000 0.00000 0.00000 -0.00011 218 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 219 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 C 1S -0.00070 -0.00129 -0.00013 -0.00101 -0.00007 222 2S 0.01545 0.01490 0.00110 0.01177 0.00103 223 2PX 0.01422 0.00019 0.01281 0.01427 -0.00058 224 2PY 0.00398 0.01055 -0.00184 -0.00337 0.00157 225 2PZ 0.00814 0.01550 -0.00201 0.00027 0.00169 226 3S 0.01683 0.00845 0.00063 0.00611 0.00100 227 3PX 0.00841 0.00749 0.01201 0.01238 -0.00124 228 3PY 0.00519 0.00838 -0.00526 -0.00815 0.00141 229 3PZ 0.00159 0.01522 -0.00536 0.00281 0.00185 230 4XX 0.00109 -0.00132 0.00149 0.00148 0.00000 231 4YY -0.00018 0.00108 -0.00103 0.00038 0.00004 232 4ZZ -0.00037 0.00060 0.00001 -0.00105 -0.00004 233 4XY 0.00034 0.00000 0.00009 0.00028 -0.00002 234 4XZ 0.00025 0.00000 0.00017 0.00013 0.00006 235 4YZ 0.00022 0.00035 0.00000 0.00007 0.00004 236 21 H 1S -0.00027 -0.00033 -0.00503 0.00068 0.00000 237 2S -0.00075 -0.00268 -0.00722 0.00045 -0.00014 238 22 H 1S 0.03405 0.01271 0.01320 0.05255 -0.00036 239 2S 0.01688 0.00948 0.00987 0.03922 -0.00048 240 23 H 1S -0.00071 -0.00283 -0.00175 -0.00022 0.00002 241 2S -0.00258 -0.00519 -0.00656 -0.00025 0.00028 242 24 H 1S 0.00000 0.00001 0.00010 -0.00002 0.00000 243 2S 0.00023 0.00004 0.00134 0.00033 0.00000 244 25 H 1S 0.00001 0.00000 0.00000 0.00001 0.00000 245 2S 0.00013 0.00000 0.00000 -0.00011 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00001 -0.00009 0.00006 0.00006 0.00000 216 217 218 219 220 216 4YY 0.00125 217 4ZZ -0.00020 0.00155 218 4XY 0.00000 0.00000 0.00114 219 4XZ 0.00000 0.00000 0.00000 0.00129 220 4YZ 0.00000 0.00000 0.00000 0.00000 0.00164 221 20 C 1S 0.00000 0.00000 -0.00010 -0.00009 -0.00006 222 2S -0.00027 -0.00019 0.00097 0.00093 0.00074 223 2PX 0.00006 0.00058 0.00075 0.00074 0.00167 224 2PY -0.00024 0.00009 -0.00001 0.00122 0.00002 225 2PZ 0.00001 -0.00028 0.00110 0.00000 0.00003 226 3S -0.00037 -0.00013 0.00026 0.00029 0.00021 227 3PX 0.00027 0.00124 0.00000 0.00000 0.00036 228 3PY -0.00100 0.00043 0.00015 0.00028 0.00010 229 3PZ -0.00024 -0.00104 0.00022 0.00009 0.00000 230 4XX -0.00006 0.00007 0.00005 0.00001 0.00001 231 4YY 0.00003 -0.00011 0.00001 -0.00010 0.00000 232 4ZZ -0.00001 0.00002 -0.00011 0.00002 0.00000 233 4XY 0.00001 -0.00008 0.00003 -0.00001 0.00002 234 4XZ -0.00010 0.00001 0.00000 0.00003 0.00000 235 4YZ 0.00000 -0.00001 0.00000 0.00002 0.00000 236 21 H 1S 0.00005 -0.00001 0.00004 -0.00001 0.00000 237 2S 0.00045 -0.00019 0.00008 -0.00004 -0.00002 238 22 H 1S -0.00056 0.00503 0.00081 0.00207 0.00237 239 2S -0.00112 0.00400 0.00016 0.00027 0.00035 240 23 H 1S 0.00000 0.00000 0.00005 0.00000 0.00001 241 2S -0.00020 -0.00009 0.00013 0.00001 0.00002 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00000 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 221 222 223 224 225 221 20 C 1S 2.06002 222 2S -0.02087 0.29589 223 2PX 0.00000 0.00000 0.34633 224 2PY 0.00000 0.00000 0.00000 0.38063 225 2PZ 0.00000 0.00000 0.00000 0.00000 0.36376 226 3S -0.02584 0.17263 0.00000 0.00000 0.00000 227 3PX 0.00000 0.00000 0.10510 0.00000 0.00000 228 3PY 0.00000 0.00000 0.00000 0.12957 0.00000 229 3PZ 0.00000 0.00000 0.00000 0.00000 0.10259 230 4XX -0.00024 -0.00098 0.00000 0.00000 0.00000 231 4YY -0.00062 0.00540 0.00000 0.00000 0.00000 232 4ZZ -0.00033 0.00078 0.00000 0.00000 0.00000 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S -0.00191 0.03019 0.00939 0.07536 0.00941 237 2S -0.00073 0.00845 0.00413 0.03406 0.00412 238 22 H 1S 0.00000 -0.00018 -0.00029 -0.00001 -0.00033 239 2S 0.00013 -0.00201 -0.00329 -0.00017 -0.00361 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S 0.00000 0.00008 0.00015 0.00015 0.00003 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 0.00007 0.00002 0.00014 0.00021 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00001 0.00001 0.00000 0.00002 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 264 2S 0.00000 -0.00007 0.00025 -0.00017 -0.00056 226 227 228 229 230 226 3S 0.16766 227 3PX 0.00000 0.12033 228 3PY 0.00000 0.00000 0.15566 229 3PZ 0.00000 0.00000 0.00000 0.11556 230 4XX -0.00098 0.00000 0.00000 0.00000 0.00092 231 4YY 0.00427 0.00000 0.00000 0.00000 -0.00017 232 4ZZ 0.00071 0.00000 0.00000 0.00000 -0.00018 233 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 234 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 236 21 H 1S 0.03568 0.00823 0.06786 0.00832 -0.00059 237 2S 0.01697 0.00604 0.04235 0.00401 -0.00084 238 22 H 1S -0.00054 -0.00112 0.00053 -0.00430 0.00000 239 2S -0.00184 -0.00416 0.00045 -0.00810 -0.00006 240 23 H 1S 0.00000 0.00006 0.00000 0.00003 0.00000 241 2S 0.00019 0.00083 0.00072 0.00020 0.00000 242 24 H 1S 0.00001 0.00000 0.00002 0.00000 0.00000 243 2S 0.00016 0.00000 0.00001 0.00000 0.00000 244 25 H 1S 0.00000 0.00002 -0.00001 0.00009 0.00000 245 2S 0.00025 0.00015 0.00077 0.00121 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00001 0.00000 0.00000 0.00001 0.00000 248 2PX 0.00001 0.00001 0.00000 0.00001 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00002 0.00002 0.00000 0.00004 0.00000 251 3S 0.00015 0.00006 0.00005 0.00033 0.00000 252 3PX 0.00014 0.00011 -0.00003 0.00027 0.00000 253 3PY -0.00006 -0.00001 0.00006 -0.00003 0.00000 254 3PZ 0.00037 0.00040 0.00003 0.00065 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S -0.00006 -0.00004 -0.00002 -0.00004 0.00000 263 28 H 1S -0.00003 0.00037 -0.00028 -0.00047 0.00000 264 2S 0.00055 0.00199 -0.00117 -0.00100 0.00001 231 232 233 234 235 231 4YY 0.00211 232 4ZZ -0.00025 0.00119 233 4XY 0.00000 0.00000 0.00129 234 4XZ 0.00000 0.00000 0.00000 0.00096 235 4YZ 0.00000 0.00000 0.00000 0.00000 0.00140 236 21 H 1S 0.00718 -0.00078 0.00160 0.00035 0.00152 237 2S 0.00444 -0.00127 0.00019 0.00007 0.00020 238 22 H 1S -0.00001 0.00005 -0.00001 0.00005 0.00000 239 2S -0.00022 0.00043 -0.00004 0.00010 -0.00002 240 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 241 2S -0.00001 0.00000 0.00000 0.00000 0.00000 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 243 2S 0.00000 0.00000 0.00000 0.00000 0.00000 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S -0.00001 0.00001 0.00000 0.00000 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00000 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 0.00000 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00003 -0.00006 -0.00001 0.00000 -0.00001 236 237 238 239 240 236 21 H 1S 0.20453 237 2S 0.07304 0.07599 238 22 H 1S -0.00001 -0.00023 0.20755 239 2S -0.00025 -0.00066 0.08450 0.08958 240 23 H 1S 0.00000 0.00000 -0.00001 -0.00029 0.20764 241 2S 0.00000 -0.00009 -0.00028 -0.00082 0.08546 242 24 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 243 2S 0.00000 0.00001 0.00000 -0.00010 -0.00030 244 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 245 2S 0.00000 -0.00009 0.00000 0.00001 0.00000 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 247 2S 0.00000 0.00000 0.00000 0.00000 0.00000 248 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 3S 0.00000 0.00002 0.00000 0.00000 0.00000 252 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 253 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 254 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 262 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 263 28 H 1S 0.00000 0.00009 0.00000 0.00000 0.00000 264 2S 0.00008 0.00135 0.00000 0.00000 0.00000 241 242 243 244 245 241 2S 0.09148 242 24 H 1S -0.00029 0.20774 243 2S -0.00085 0.08583 0.09226 244 25 H 1S 0.00000 -0.00001 -0.00027 0.20629 245 2S -0.00009 -0.00026 -0.00067 0.08225 0.09112 246 26 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 247 2S 0.00000 0.00000 0.00000 0.00000 0.00032 248 2PX 0.00000 0.00000 0.00000 0.00000 -0.00004 249 2PY 0.00000 0.00000 0.00000 0.00000 0.00105 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.00008 251 3S 0.00000 0.00000 0.00000 -0.00008 0.00197 252 3PX 0.00000 0.00000 0.00000 -0.00016 -0.00003 253 3PY 0.00000 0.00000 0.00000 -0.00037 0.00530 254 3PZ 0.00000 0.00000 0.00000 0.00002 0.00055 255 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 4YY 0.00000 0.00000 0.00000 0.00000 -0.00005 257 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00008 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 262 2S 0.00000 0.00000 0.00000 0.00008 -0.00020 263 28 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 264 2S 0.00000 0.00000 0.00000 0.00000 0.00018 246 247 248 249 250 246 26 O 1S 2.07836 247 2S -0.04229 0.50114 248 2PX 0.00000 0.00000 0.66182 249 2PY 0.00000 0.00000 0.00000 0.76797 250 2PZ 0.00000 0.00000 0.00000 0.00000 0.53706 251 3S -0.04025 0.42259 0.00000 0.00000 0.00000 252 3PX 0.00000 0.00000 0.23964 0.00000 0.00000 253 3PY 0.00000 0.00000 0.00000 0.29409 0.00000 254 3PZ 0.00000 0.00000 0.00000 0.00000 0.18245 255 4XX -0.00034 0.00230 0.00000 0.00000 0.00000 256 4YY -0.00028 0.00089 0.00000 0.00000 0.00000 257 4ZZ -0.00053 0.00908 0.00000 0.00000 0.00000 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S -0.00103 0.01767 0.04468 0.00035 0.03719 262 2S 0.00085 -0.01035 0.01074 0.00013 0.00973 263 28 H 1S 0.00000 -0.00002 -0.00003 -0.00020 0.00000 264 2S -0.00002 0.00023 -0.00073 -0.00380 -0.00004 251 252 253 254 255 251 3S 0.66831 252 3PX 0.00000 0.34776 253 3PY 0.00000 0.00000 0.45198 254 3PZ 0.00000 0.00000 0.00000 0.25169 255 4XX -0.00320 0.00000 0.00000 0.00000 0.00369 256 4YY 0.00090 0.00000 0.00000 0.00000 -0.00033 257 4ZZ 0.01124 0.00000 0.00000 0.00000 0.00011 258 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 27 H 1S 0.00776 0.06422 0.00070 0.04817 0.00812 262 2S -0.04284 0.02450 0.00038 0.02069 0.00390 263 28 H 1S -0.00027 -0.00090 -0.00657 0.00014 0.00000 264 2S 0.00502 -0.00306 -0.01860 0.00071 -0.00015 256 257 258 259 260 256 4YY 0.00097 257 4ZZ 0.00004 0.00087 258 4XY 0.00000 0.00000 0.00169 259 4XZ 0.00000 0.00000 0.00000 0.00328 260 4YZ 0.00000 0.00000 0.00000 0.00000 0.00074 261 27 H 1S -0.00054 0.00099 0.00015 0.00639 0.00013 262 2S -0.00056 -0.00006 0.00001 0.00054 0.00001 263 28 H 1S 0.00003 -0.00001 -0.00001 0.00001 0.00002 264 2S 0.00006 -0.00024 -0.00009 0.00002 0.00000 261 262 263 264 261 27 H 1S 0.17885 262 2S 0.04781 0.04051 263 28 H 1S -0.00003 -0.00087 0.21010 264 2S -0.00099 -0.00410 0.08906 0.10626 Gross orbital populations: 1 1 1 C 1S 1.99722 2 2S 0.64283 3 2PX 0.68895 4 2PY 0.68577 5 2PZ 0.58739 6 3S 0.50557 7 3PX 0.24279 8 3PY 0.30046 9 3PZ 0.16036 10 4XX 0.01181 11 4YY 0.02240 12 4ZZ 0.01614 13 4XY 0.01254 14 4XZ 0.02195 15 4YZ 0.01719 16 2 C 1S 1.99718 17 2S 0.70255 18 2PX 0.63845 19 2PY 0.66488 20 2PZ 0.53282 21 3S 0.36824 22 3PX 0.18535 23 3PY 0.08774 24 3PZ 0.18004 25 4XX 0.00559 26 4YY 0.02847 27 4ZZ 0.00037 28 4XY 0.03044 29 4XZ 0.01580 30 4YZ 0.02046 31 3 C 1S 1.99662 32 2S 0.66752 33 2PX 0.69836 34 2PY 0.72525 35 2PZ 0.59722 36 3S 0.45889 37 3PX 0.25059 38 3PY 0.22541 39 3PZ 0.42774 40 4XX 0.01538 41 4YY 0.02108 42 4ZZ -0.01021 43 4XY 0.01629 44 4XZ 0.00583 45 4YZ 0.00716 46 4 C 1S 1.99668 47 2S 0.67650 48 2PX 0.71150 49 2PY 0.73854 50 2PZ 0.53031 51 3S 0.48100 52 3PX 0.21518 53 3PY 0.36716 54 3PZ 0.39256 55 4XX 0.01484 56 4YY 0.03074 57 4ZZ -0.01128 58 4XY 0.01183 59 4XZ 0.00772 60 4YZ 0.00573 61 5 C 1S 1.99663 62 2S 0.66689 63 2PX 0.70091 64 2PY 0.73288 65 2PZ 0.56326 66 3S 0.49531 67 3PX 0.35149 68 3PY 0.18957 69 3PZ 0.46140 70 4XX 0.02188 71 4YY 0.01986 72 4ZZ -0.01078 73 4XY 0.01349 74 4XZ 0.00664 75 4YZ 0.00744 76 6 C 1S 1.99667 77 2S 0.67438 78 2PX 0.70336 79 2PY 0.73415 80 2PZ 0.53985 81 3S 0.49116 82 3PX 0.31341 83 3PY 0.25956 84 3PZ 0.40621 85 4XX 0.01954 86 4YY 0.02243 87 4ZZ -0.01146 88 4XY 0.01610 89 4XZ 0.00571 90 4YZ 0.00699 91 7 C 1S 1.99662 92 2S 0.66672 93 2PX 0.71112 94 2PY 0.71931 95 2PZ 0.56657 96 3S 0.49659 97 3PX 0.21210 98 3PY 0.35816 99 3PZ 0.43924 100 4XX 0.01515 101 4YY 0.02992 102 4ZZ -0.01129 103 4XY 0.01221 104 4XZ 0.00695 105 4YZ 0.00555 106 8 C 1S 1.99667 107 2S 0.67714 108 2PX 0.70982 109 2PY 0.73594 110 2PZ 0.53592 111 3S 0.46129 112 3PX 0.35808 113 3PY 0.20898 114 3PZ 0.41697 115 4XX 0.02290 116 4YY 0.02014 117 4ZZ -0.01119 118 4XY 0.01305 119 4XZ 0.00683 120 4YZ 0.00837 121 9 H 1S 0.52202 122 2S 0.23393 123 10 H 1S 0.52387 124 2S 0.27194 125 11 H 1S 0.52419 126 2S 0.26693 127 12 H 1S 0.52356 128 2S 0.27001 129 13 H 1S 0.51724 130 2S 0.23525 131 14 O 1S 1.99559 132 2S 0.90677 133 2PX 1.03371 134 2PY 0.89267 135 2PZ 0.89442 136 3S 0.99855 137 3PX 0.70280 138 3PY 0.51940 139 3PZ 0.60346 140 4XX 0.00096 141 4YY 0.01277 142 4ZZ 0.00426 143 4XY 0.00596 144 4XZ 0.00199 145 4YZ 0.00946 146 15 C 1S 1.99682 147 2S 0.66817 148 2PX 0.61813 149 2PY 0.69811 150 2PZ 0.67258 151 3S 0.46488 152 3PX 0.35511 153 3PY 0.23943 154 3PZ 0.28804 155 4XX 0.00173 156 4YY 0.01348 157 4ZZ 0.00897 158 4XY 0.01008 159 4XZ 0.00890 160 4YZ 0.01162 161 16 C 1S 1.99667 162 2S 0.66644 163 2PX 0.63718 164 2PY 0.69403 165 2PZ 0.66354 166 3S 0.49235 167 3PX 0.34881 168 3PY 0.27361 169 3PZ 0.40243 170 4XX 0.00236 171 4YY 0.01378 172 4ZZ 0.01354 173 4XY 0.00919 174 4XZ 0.00845 175 4YZ 0.01093 176 17 C 1S 1.99665 177 2S 0.66958 178 2PX 0.63100 179 2PY 0.68476 180 2PZ 0.67131 181 3S 0.49313 182 3PX 0.33106 183 3PY 0.37653 184 3PZ 0.28319 185 4XX 0.00197 186 4YY 0.02074 187 4ZZ 0.00877 188 4XY 0.00862 189 4XZ 0.00829 190 4YZ 0.01046 191 18 C 1S 1.99664 192 2S 0.66926 193 2PX 0.62471 194 2PY 0.69636 195 2PZ 0.66805 196 3S 0.49143 197 3PX 0.41049 198 3PY 0.27288 199 3PZ 0.31310 200 4XX 0.00496 201 4YY 0.01424 202 4ZZ 0.00950 203 4XY 0.01012 204 4XZ 0.00910 205 4YZ 0.01080 206 19 C 1S 1.99665 207 2S 0.67037 208 2PX 0.62909 209 2PY 0.69788 210 2PZ 0.65967 211 3S 0.49420 212 3PX 0.34414 213 3PY 0.25484 214 3PZ 0.39084 215 4XX 0.00228 216 4YY 0.01393 217 4ZZ 0.01377 218 4XY 0.00926 219 4XZ 0.00841 220 4YZ 0.01136 221 20 C 1S 1.99664 222 2S 0.66842 223 2PX 0.63342 224 2PY 0.69259 225 2PZ 0.66826 226 3S 0.47789 227 3PX 0.32468 228 3PY 0.40209 229 3PZ 0.28492 230 4XX 0.00234 231 4YY 0.02113 232 4ZZ 0.00844 233 4XY 0.00874 234 4XZ 0.00812 235 4YZ 0.00998 236 21 H 1S 0.51777 237 2S 0.23782 238 22 H 1S 0.52373 239 2S 0.26754 240 23 H 1S 0.52396 241 2S 0.27057 242 24 H 1S 0.52417 243 2S 0.27162 244 25 H 1S 0.52191 245 2S 0.26576 246 26 O 1S 1.99539 247 2S 0.89607 248 2PX 0.97083 249 2PY 1.08507 250 2PZ 0.82577 251 3S 0.95333 252 3PX 0.67238 253 3PY 0.74230 254 3PZ 0.54499 255 4XX 0.01524 256 4YY 0.00336 257 4ZZ 0.02573 258 4XY 0.00360 259 4XZ 0.01476 260 4YZ 0.00453 261 27 H 1S 0.45462 262 2S 0.09489 263 28 H 1S 0.52560 264 2S 0.25896 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.899267 0.354721 -0.090834 0.005220 -0.000005 -0.000011 2 C 0.354721 4.429695 0.362918 -0.035923 0.002756 -0.000008 3 C -0.090834 0.362918 4.982646 0.528670 -0.042918 -0.029143 4 C 0.005220 -0.035923 0.528670 4.909763 0.531450 -0.042381 5 C -0.000005 0.002756 -0.042918 0.531450 4.932930 0.540875 6 C -0.000011 -0.000008 -0.029143 -0.042381 0.540875 4.880251 7 C -0.000317 0.002260 -0.035864 -0.033968 -0.043328 0.547774 8 C 0.001562 -0.028324 0.542080 -0.047648 -0.032617 -0.044798 9 H 0.000829 -0.003356 -0.024926 0.002697 0.000029 0.002244 10 H 0.000004 -0.000073 0.001710 0.000251 0.002362 -0.029745 11 H 0.000000 0.000005 0.000204 0.002220 -0.029590 0.381168 12 H 0.000001 -0.000088 0.002053 -0.028768 0.382544 -0.030297 13 H 0.000308 -0.003690 -0.027441 0.376298 -0.028321 0.002135 14 O -0.069644 0.533130 -0.081245 0.001603 0.000715 -0.000008 15 C 0.319075 -0.067850 0.004065 -0.000062 -0.000006 0.000002 16 C -0.033036 -0.001186 0.000345 0.000008 -0.000001 0.000001 17 C 0.002031 -0.000016 -0.000027 0.000000 0.000000 0.000000 18 C 0.000164 -0.000005 0.000002 0.000000 0.000000 0.000000 19 C 0.001646 0.000262 -0.000012 -0.000001 0.000000 0.000000 20 C -0.050913 -0.000420 0.001555 -0.000060 0.000000 0.000000 21 H -0.001918 0.000186 0.000430 -0.000011 0.000000 0.000000 22 H -0.000082 0.000002 -0.000001 0.000000 0.000000 0.000000 23 H 0.000006 0.000000 0.000000 0.000000 0.000000 0.000000 24 H -0.000089 0.000001 0.000000 0.000000 0.000000 0.000000 25 H -0.004551 -0.000016 0.000043 0.000001 0.000000 0.000000 26 O 0.177298 -0.038538 0.004749 -0.000283 -0.000011 0.000007 27 H -0.016840 0.006017 -0.000408 0.000013 0.000000 0.000000 28 H 0.419480 -0.054081 0.004465 -0.000097 -0.000001 0.000000 7 8 9 10 11 12 1 C -0.000317 0.001562 0.000829 0.000004 0.000000 0.000001 2 C 0.002260 -0.028324 -0.003356 -0.000073 0.000005 -0.000088 3 C -0.035864 0.542080 -0.024926 0.001710 0.000204 0.002053 4 C -0.033968 -0.047648 0.002697 0.000251 0.002220 -0.028768 5 C -0.043328 -0.032617 0.000029 0.002362 -0.029590 0.382544 6 C 0.547774 -0.044798 0.002244 -0.029745 0.381168 -0.030297 7 C 4.918303 0.540651 -0.026365 0.382795 -0.029431 0.002382 8 C 0.540651 4.897745 0.369199 -0.028998 0.002404 0.000204 9 H -0.026365 0.369199 0.431431 -0.001039 -0.000091 0.000008 10 H 0.382795 -0.028998 -0.001039 0.470027 -0.001386 -0.000102 11 H -0.029431 0.002404 -0.000091 -0.001386 0.467065 -0.001360 12 H 0.002382 0.000204 0.000008 -0.000102 -0.001360 0.468141 13 H 0.000051 0.002598 -0.000091 0.000009 -0.000087 -0.001145 14 O -0.000044 0.002009 -0.000001 0.000000 0.000000 0.000000 15 C 0.000031 -0.002912 -0.000209 -0.000001 0.000000 0.000000 16 C 0.000025 -0.003210 0.003448 -0.000002 0.000000 0.000000 17 C 0.000000 -0.000131 0.000213 0.000000 0.000000 0.000000 18 C 0.000000 0.000010 -0.000019 0.000000 0.000000 0.000000 19 C 0.000000 0.000002 -0.000042 0.000000 0.000000 0.000000 20 C 0.000008 -0.000113 -0.000051 0.000000 0.000000 0.000000 21 H 0.000000 -0.000036 0.000002 0.000000 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 24 H 0.000000 -0.000002 0.000003 0.000000 0.000000 0.000000 25 H 0.000003 -0.000467 -0.000097 0.000000 0.000000 0.000000 26 O -0.000044 -0.008733 0.001987 -0.000006 0.000000 0.000000 27 H -0.000001 0.000484 -0.000051 0.000000 0.000000 0.000000 28 H 0.000005 -0.000034 0.000199 0.000000 0.000000 0.000000 13 14 15 16 17 18 1 C 0.000308 -0.069644 0.319075 -0.033036 0.002031 0.000164 2 C -0.003690 0.533130 -0.067850 -0.001186 -0.000016 -0.000005 3 C -0.027441 -0.081245 0.004065 0.000345 -0.000027 0.000002 4 C 0.376298 0.001603 -0.000062 0.000008 0.000000 0.000000 5 C -0.028321 0.000715 -0.000006 -0.000001 0.000000 0.000000 6 C 0.002135 -0.000008 0.000002 0.000001 0.000000 0.000000 7 C 0.000051 -0.000044 0.000031 0.000025 0.000000 0.000000 8 C 0.002598 0.002009 -0.002912 -0.003210 -0.000131 0.000010 9 H -0.000091 -0.000001 -0.000209 0.003448 0.000213 -0.000019 10 H 0.000009 0.000000 -0.000001 -0.000002 0.000000 0.000000 11 H -0.000087 0.000000 0.000000 0.000000 0.000000 0.000000 12 H -0.001145 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.423810 0.008079 -0.000008 0.000000 0.000000 0.000000 14 O 0.008079 8.179983 -0.004776 -0.000047 0.000001 0.000001 15 C -0.000008 -0.004776 4.991978 0.554988 -0.039506 -0.031261 16 C 0.000000 -0.000047 0.554988 4.950576 0.530537 -0.044591 17 C 0.000000 0.000001 -0.039506 0.530537 4.898633 0.552884 18 C 0.000000 0.000001 -0.031261 -0.044591 0.552884 4.896943 19 C 0.000000 0.000185 -0.039256 -0.034844 -0.042416 0.545307 20 C -0.000002 0.000487 0.530722 -0.039894 -0.034364 -0.045338 21 H -0.000001 0.007007 -0.031685 0.002416 0.000102 0.002141 22 H 0.000000 -0.000001 0.001941 0.000219 0.002448 -0.029843 23 H 0.000000 0.000000 0.000215 0.002429 -0.029988 0.382192 24 H 0.000000 0.000000 0.002143 -0.031006 0.382399 -0.029214 25 H 0.000000 -0.000001 -0.032489 0.378258 -0.027293 0.002256 26 O -0.000012 0.001223 -0.044115 -0.005668 0.000569 -0.000007 27 H 0.000000 -0.000109 -0.002958 0.002250 -0.000040 -0.000003 28 H -0.000001 0.004222 -0.052033 0.001294 0.000018 0.000015 19 20 21 22 23 24 1 C 0.001646 -0.050913 -0.001918 -0.000082 0.000006 -0.000089 2 C 0.000262 -0.000420 0.000186 0.000002 0.000000 0.000001 3 C -0.000012 0.001555 0.000430 -0.000001 0.000000 0.000000 4 C -0.000001 -0.000060 -0.000011 0.000000 0.000000 0.000000 5 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000008 0.000000 0.000000 0.000000 0.000000 8 C 0.000002 -0.000113 -0.000036 0.000000 0.000000 -0.000002 9 H -0.000042 -0.000051 0.000002 0.000000 0.000000 0.000003 10 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.000000 -0.000002 -0.000001 0.000000 0.000000 0.000000 14 O 0.000185 0.000487 0.007007 -0.000001 0.000000 0.000000 15 C -0.039256 0.530722 -0.031685 0.001941 0.000215 0.002143 16 C -0.034844 -0.039894 0.002416 0.000219 0.002429 -0.031006 17 C -0.042416 -0.034364 0.000102 0.002448 -0.029988 0.382399 18 C 0.545307 -0.045338 0.002141 -0.029843 0.382192 -0.029214 19 C 4.896988 0.538321 -0.023858 0.381666 -0.029749 0.002434 20 C 0.538321 4.954860 0.373990 -0.028567 0.002432 0.000210 21 H -0.023858 0.373990 0.426603 -0.001154 -0.000090 0.000008 22 H 0.381666 -0.028567 -0.001154 0.466130 -0.001400 -0.000102 23 H -0.029749 0.002432 -0.000090 -0.001400 0.470027 -0.001447 24 H 0.002434 0.000210 0.000008 -0.000102 -0.001447 0.471659 25 H 0.000049 0.002912 -0.000092 0.000009 -0.000098 -0.001214 26 O -0.000035 0.002675 0.000026 0.000000 0.000000 0.000000 27 H -0.000001 -0.000168 -0.000007 0.000000 0.000000 0.000001 28 H 0.000036 -0.000616 0.001525 -0.000002 0.000000 0.000001 25 26 27 28 1 C -0.004551 0.177298 -0.016840 0.419480 2 C -0.000016 -0.038538 0.006017 -0.054081 3 C 0.000043 0.004749 -0.000408 0.004465 4 C 0.000001 -0.000283 0.000013 -0.000097 5 C 0.000000 -0.000011 0.000000 -0.000001 6 C 0.000000 0.000007 0.000000 0.000000 7 C 0.000003 -0.000044 -0.000001 0.000005 8 C -0.000467 -0.008733 0.000484 -0.000034 9 H -0.000097 0.001987 -0.000051 0.000199 10 H 0.000000 -0.000006 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 13 H 0.000000 -0.000012 0.000000 -0.000001 14 O -0.000001 0.001223 -0.000109 0.004222 15 C -0.032489 -0.044115 -0.002958 -0.052033 16 C 0.378258 -0.005668 0.002250 0.001294 17 C -0.027293 0.000569 -0.000040 0.000018 18 C 0.002256 -0.000007 -0.000003 0.000015 19 C 0.000049 -0.000035 -0.000001 0.000036 20 C 0.002912 0.002675 -0.000168 -0.000616 21 H -0.000092 0.000026 -0.000007 0.001525 22 H 0.000009 0.000000 0.000000 -0.000002 23 H -0.000098 0.000000 0.000000 0.000000 24 H -0.001214 0.000000 0.000001 0.000001 25 H 0.461926 0.008609 -0.000276 0.000199 26 O 0.008609 8.429566 0.252629 -0.028527 27 H -0.000276 0.252629 0.314972 -0.005985 28 H 0.000199 -0.028527 -0.005985 0.494474 Mulliken charges: 1 1 C 0.086629 2 C 0.541624 3 C -0.103117 4 C -0.168995 5 C -0.216864 6 C -0.178064 7 C -0.224925 8 C -0.160925 9 H 0.244049 10 H 0.204195 11 H 0.208880 12 H 0.206427 13 H 0.247509 14 O -0.582770 15 C -0.056034 16 C -0.233310 17 C -0.196055 18 C -0.201634 19 C -0.196682 20 C -0.207667 21 H 0.244414 22 H 0.208735 23 H 0.205472 24 H 0.204214 25 H 0.212330 26 O -0.753359 27 H 0.450483 28 H 0.215440 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.302068 2 C 0.541624 3 C -0.103117 4 C 0.078514 5 C -0.010437 6 C 0.030816 7 C -0.020730 8 C 0.083125 14 O -0.582770 15 C -0.056034 16 C -0.020979 17 C 0.008159 18 C 0.003839 19 C 0.012054 20 C 0.036747 26 O -0.302876 Electronic spatial extent (au): = 3709.3645 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.3842 Y= -2.4283 Z= 1.1273 Tot= 3.0139 Quadrupole moment (field-independent basis, Debye-Ang): XX= -81.7076 YY= -92.8978 ZZ= -89.2860 XY= -1.6980 XZ= -3.6451 YZ= 0.7708 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 6.2562 YY= -4.9340 ZZ= -1.3222 XY= -1.6980 XZ= -3.6451 YZ= 0.7708 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 31.6887 YYY= -23.5301 ZZZ= 25.5012 XYY= -3.3236 XXY= -14.6246 XXZ= -30.0589 XZZ= -26.6969 YZZ= 10.9794 YYZ= 13.5710 XYZ= -0.1448 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3337.3052 YYYY= -962.6052 ZZZZ= -537.3186 XXXY= 32.2311 XXXZ= -11.2542 YYYX= -15.9027 YYYZ= 3.6380 ZZZX= -23.6332 ZZZY= 1.5167 XXYY= -661.3441 XXZZ= -649.2261 YYZZ= -252.6218 XXYZ= 2.6508 YYXZ= -5.5640 ZZXY= -2.8240 N-N= 1.012554912091D+03 E-N=-3.630370411155D+03 KE= 6.852755372745D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -20.587191 29.146297 2 O -20.552928 29.149271 3 O -11.337772 16.012638 4 O -11.305667 16.012563 5 O -11.251801 16.003511 6 O -11.246258 16.002342 7 O -11.244747 15.999483 8 O -11.243559 15.994597 9 O -11.242398 15.998106 10 O -11.242285 16.003376 11 O -11.242013 16.002837 12 O -11.241209 16.010238 13 O -11.240535 16.011453 14 O -11.238988 16.008168 15 O -11.236794 16.005456 16 O -11.236118 16.006296 17 O -1.388000 2.440937 18 O -1.368890 2.610510 19 O -1.156869 1.479822 20 O -1.152361 1.469412 21 O -1.054936 1.623336 22 O -1.029171 1.588079 23 O -1.016948 1.560686 24 O -1.014822 1.569601 25 O -0.956251 1.658586 26 O -0.860644 1.562322 27 O -0.831172 1.417761 28 O -0.827522 1.430981 29 O -0.810070 1.498515 30 O -0.754984 1.436624 31 O -0.716487 1.472406 32 O -0.710453 1.364097 33 O -0.686279 1.194747 34 O -0.660908 1.441398 35 O -0.647222 1.394566 36 O -0.634634 1.671439 37 O -0.624939 1.464677 38 O -0.610794 1.366613 39 O -0.599822 1.410674 40 O -0.593127 1.722299 41 O -0.588709 1.302933 42 O -0.584445 1.222736 43 O -0.549867 1.702234 44 O -0.531425 1.569698 45 O -0.516506 1.524994 46 O -0.511859 1.464443 47 O -0.502120 1.154184 48 O -0.494512 1.383477 49 O -0.490870 1.359764 50 O -0.482410 1.364378 51 O -0.461663 1.847563 52 O -0.415248 2.152121 53 O -0.340496 1.084240 54 O -0.337089 1.098888 55 O -0.333375 1.066326 56 O -0.327475 1.123070 57 V 0.085984 1.367764 58 V 0.131108 1.163230 59 V 0.137950 1.217036 60 V 0.145929 1.200015 61 V 0.207108 1.212480 62 V 0.217525 1.380644 63 V 0.239022 0.878624 64 V 0.243450 0.862557 65 V 0.277054 0.872485 66 V 0.297066 0.877113 67 V 0.304174 0.987685 68 V 0.307083 1.008859 69 V 0.314734 0.996745 70 V 0.327404 0.995982 71 V 0.332768 1.188579 72 V 0.337896 1.009799 73 V 0.351923 1.314065 74 V 0.367616 1.461884 75 V 0.382075 1.504140 76 V 0.395488 1.314884 77 V 0.434568 1.788103 78 V 0.443836 1.635433 79 V 0.465136 1.543324 80 V 0.467653 1.473295 81 V 0.473763 1.568253 82 V 0.478688 1.369275 83 V 0.488506 1.553658 84 V 0.508961 1.485733 85 V 0.517216 1.586503 86 V 0.538391 1.616731 87 V 0.564795 1.815300 88 V 0.592533 1.974128 89 V 0.674657 1.761144 90 V 0.690379 1.884247 91 V 0.717123 1.911180 92 V 0.736188 1.834880 93 V 0.744567 1.918839 94 V 0.748371 2.002930 95 V 0.758348 2.078212 96 V 0.770666 2.189191 97 V 0.771886 2.077227 98 V 0.777613 2.235140 99 V 0.781853 2.133819 100 V 0.800573 2.092899 101 V 0.809534 2.073638 102 V 0.817902 2.146817 103 V 0.819708 2.173149 104 V 0.825357 2.409076 105 V 0.830353 2.015945 106 V 0.834892 2.262656 107 V 0.836645 1.973723 108 V 0.838924 2.065858 109 V 0.841170 2.220469 110 V 0.862988 2.257876 111 V 0.877621 2.382120 112 V 0.885621 2.358162 113 V 0.890358 2.340619 114 V 0.908584 2.381813 115 V 0.917136 2.492105 116 V 0.941587 2.487816 117 V 0.952055 2.701563 118 V 0.985334 2.480792 119 V 0.997079 2.457914 120 V 1.013887 2.586124 121 V 1.029911 2.416664 122 V 1.043080 2.595629 123 V 1.065540 2.768361 124 V 1.085767 2.702914 125 V 1.099263 2.822100 126 V 1.103622 2.736938 127 V 1.109742 2.890581 128 V 1.111642 2.786257 129 V 1.115293 2.826867 130 V 1.119493 2.737499 131 V 1.142977 2.719375 132 V 1.144667 2.671571 133 V 1.153702 2.848387 134 V 1.166175 2.688045 135 V 1.171491 2.726995 136 V 1.185604 2.675110 137 V 1.198322 2.816958 138 V 1.203661 2.858764 139 V 1.212164 2.810875 140 V 1.228060 2.734595 141 V 1.245913 2.859461 142 V 1.253982 2.511207 143 V 1.272568 2.457893 144 V 1.296843 2.514619 145 V 1.313666 2.670759 146 V 1.318454 2.607128 147 V 1.328695 2.775440 148 V 1.360742 2.602395 149 V 1.373368 3.026496 150 V 1.385417 2.461297 151 V 1.398919 2.582459 152 V 1.407232 2.569590 153 V 1.430240 2.596341 154 V 1.448140 2.708198 155 V 1.460728 2.749953 156 V 1.487780 2.762411 157 V 1.503625 2.531991 158 V 1.538765 2.889497 159 V 1.550453 2.957957 160 V 1.558252 2.721639 161 V 1.635031 2.710221 162 V 1.663162 2.603597 163 V 1.671876 2.662862 164 V 1.681309 2.602208 165 V 1.702689 2.645861 166 V 1.706818 2.621624 167 V 1.712935 2.651747 168 V 1.721684 2.666562 169 V 1.736442 2.667249 170 V 1.754027 2.677443 171 V 1.761268 2.694567 172 V 1.770473 2.693789 173 V 1.781408 2.700928 174 V 1.785172 2.713158 175 V 1.792051 2.706747 176 V 1.802319 2.810892 177 V 1.864548 2.969749 178 V 1.914921 2.871656 179 V 1.977908 2.944829 180 V 2.008822 3.067194 181 V 2.027245 2.991593 182 V 2.059985 2.996744 183 V 2.082794 3.058264 184 V 2.099464 3.177763 185 V 2.114613 3.167575 186 V 2.124848 3.265788 187 V 2.142755 3.119052 188 V 2.163742 3.229005 189 V 2.170891 3.219968 190 V 2.193576 3.225558 191 V 2.215527 3.223396 192 V 2.229074 3.264833 193 V 2.247661 3.421017 194 V 2.260861 3.347310 195 V 2.296441 3.428303 196 V 2.302004 3.436870 197 V 2.315685 3.470859 198 V 2.332017 3.373717 199 V 2.360574 3.615119 200 V 2.378843 3.626717 201 V 2.385441 3.626568 202 V 2.404461 3.560485 203 V 2.426819 3.504963 204 V 2.449392 3.481939 205 V 2.458852 3.524113 206 V 2.464808 3.449025 207 V 2.470093 3.491730 208 V 2.477620 3.560277 209 V 2.482469 3.491534 210 V 2.503344 3.629718 211 V 2.526173 3.562293 212 V 2.570692 3.515049 213 V 2.610118 3.607143 214 V 2.619439 3.604651 215 V 2.631000 3.590019 216 V 2.632694 3.589672 217 V 2.635451 3.827188 218 V 2.649309 3.645647 219 V 2.693979 3.678058 220 V 2.711187 3.893307 221 V 2.748280 3.865341 222 V 2.809241 3.878268 223 V 2.873309 4.009065 224 V 2.897905 4.169436 225 V 2.918597 4.126862 226 V 2.926163 4.160939 227 V 2.930376 4.123696 228 V 2.945023 3.943504 229 V 2.967881 4.223973 230 V 2.989294 4.225971 231 V 3.000821 4.018683 232 V 3.027668 4.102606 233 V 3.061463 4.363833 234 V 3.084749 4.459659 235 V 3.098093 4.532625 236 V 3.100749 4.559447 237 V 3.111173 4.592904 238 V 3.117401 4.540588 239 V 3.158978 4.563198 240 V 3.219013 4.614787 241 V 3.250745 4.643469 242 V 3.264233 4.656462 243 V 3.371705 5.106967 244 V 3.398066 4.736616 245 V 3.454052 5.003020 246 V 3.534437 5.065122 247 V 3.780322 5.230155 248 V 3.800492 5.248057 249 V 4.265660 10.613425 250 V 4.478799 10.346075 251 V 4.512596 10.196764 252 V 4.514961 10.213158 253 V 4.540301 10.200646 254 V 4.547360 10.216931 255 V 4.572457 10.353100 256 V 4.594742 10.329196 257 V 4.697281 10.484018 258 V 4.758535 10.159442 259 V 4.762482 10.183980 260 V 4.801420 10.268867 261 V 4.857683 10.346906 262 V 5.040823 10.915051 263 V 5.134251 10.476970 264 V 5.170217 10.693725 Total kinetic energy from orbitals= 6.852755372745D+02 ******************************Gaussian NBO Version 3.1****************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S ******************************Gaussian NBO Version 3.1****************************** /RESON / : Allow strongly delocalized NBO set /AOPNAO / : Write the AO to PNAO transformation to LFN 32 /AOPNHO / : Write the AO to PNHO transformation to LFN 34 /AOPNBO / : Write the AO to PNBO transformation to LFN 36 /DMNAO / : Write the NAO density matrix to LFN 82 /DMNHO / : Write the NHO density matrix to LFN 84 /DMNBO / : Write the NBO density matrix to LFN 86 /FNAO / : Write the NAO Fock matrix to LFN 92 /FNHO / : Write the NHO Fock matrix to LFN 94 /FNBO / : Write the NBO Fock matrix to LFN 96 /FILE / : Set to NBODATA Analyzing the SCF density Job title: R-Benzoin (Conformer 3) Storage needed: 211732 in NPA, 280375 in NBO ( 33550232 available) NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 1.99897 -11.16951 2 C 1 S Val( 2S) 0.95858 -0.22788 3 C 1 S Ryd( 3S) 0.00253 1.70631 4 C 1 S Ryd( 4S) 0.00006 4.80299 5 C 1 px Val( 2p) 1.03696 -0.06207 6 C 1 px Ryd( 3p) 0.00278 0.87026 7 C 1 py Val( 2p) 1.07932 -0.06508 8 C 1 py Ryd( 3p) 0.00707 1.25071 9 C 1 pz Val( 2p) 0.82888 -0.01516 10 C 1 pz Ryd( 3p) 0.00420 0.92489 11 C 1 dxy Ryd( 3d) 0.00142 2.51743 12 C 1 dxz Ryd( 3d) 0.00261 2.64898 13 C 1 dyz Ryd( 3d) 0.00213 2.55674 14 C 1 dx2y2 Ryd( 3d) 0.00166 2.45331 15 C 1 dz2 Ryd( 3d) 0.00182 2.39571 16 C 2 S Cor( 1S) 1.99923 -11.19831 17 C 2 S Val( 2S) 0.84661 -0.13815 18 C 2 S Ryd( 3S) 0.00582 1.45674 19 C 2 S Ryd( 4S) 0.00016 4.25675 20 C 2 px Val( 2p) 0.90396 0.00276 21 C 2 px Ryd( 3p) 0.00512 1.14215 22 C 2 py Val( 2p) 0.77673 0.05842 23 C 2 py Ryd( 3p) 0.01550 1.07537 24 C 2 pz Val( 2p) 0.75027 0.01779 25 C 2 pz Ryd( 3p) 0.00662 0.99534 26 C 2 dxy Ryd( 3d) 0.00278 2.74593 27 C 2 dxz Ryd( 3d) 0.00173 2.57289 28 C 2 dyz Ryd( 3d) 0.00156 2.72787 29 C 2 dx2y2 Ryd( 3d) 0.00150 2.68565 30 C 2 dz2 Ryd( 3d) 0.00149 2.48932 31 C 3 S Cor( 1S) 1.99892 -11.07849 32 C 3 S Val( 2S) 0.89887 -0.12691 33 C 3 S Ryd( 3S) 0.00082 1.26774 34 C 3 S Ryd( 4S) 0.00004 4.56659 35 C 3 px Val( 2p) 1.09809 -0.04791 36 C 3 px Ryd( 3p) 0.00589 1.35248 37 C 3 py Val( 2p) 1.09837 -0.04065 38 C 3 py Ryd( 3p) 0.00598 1.42434 39 C 3 pz Val( 2p) 1.07804 -0.06376 40 C 3 pz Ryd( 3p) 0.00320 1.04572 41 C 3 dxy Ryd( 3d) 0.00139 2.72776 42 C 3 dxz Ryd( 3d) 0.00059 2.49024 43 C 3 dyz Ryd( 3d) 0.00070 2.37991 44 C 3 dx2y2 Ryd( 3d) 0.00093 2.73582 45 C 3 dz2 Ryd( 3d) 0.00071 2.49831 46 C 4 S Cor( 1S) 1.99907 -11.07983 47 C 4 S Val( 2S) 0.95259 -0.15016 48 C 4 S Ryd( 3S) 0.00076 1.45857 49 C 4 S Ryd( 4S) 0.00002 4.38767 50 C 4 px Val( 2p) 1.03499 -0.00925 51 C 4 px Ryd( 3p) 0.00577 0.95845 52 C 4 py Val( 2p) 1.19747 -0.04543 53 C 4 py Ryd( 3p) 0.00699 1.37885 54 C 4 pz Val( 2p) 0.95063 -0.03230 55 C 4 pz Ryd( 3p) 0.00194 0.89456 56 C 4 dxy Ryd( 3d) 0.00109 2.66739 57 C 4 dxz Ryd( 3d) 0.00075 2.50575 58 C 4 dyz Ryd( 3d) 0.00079 2.27167 59 C 4 dx2y2 Ryd( 3d) 0.00133 2.62170 60 C 4 dz2 Ryd( 3d) 0.00073 2.43123 61 C 5 S Cor( 1S) 1.99909 -11.07800 62 C 5 S Val( 2S) 0.95693 -0.16267 63 C 5 S Ryd( 3S) 0.00073 1.44550 64 C 5 S Ryd( 4S) 0.00002 4.37331 65 C 5 px Val( 2p) 1.15318 -0.03933 66 C 5 px Ryd( 3p) 0.00582 1.22934 67 C 5 py Val( 2p) 1.07093 -0.01764 68 C 5 py Ryd( 3p) 0.00640 0.95524 69 C 5 pz Val( 2p) 1.05062 -0.05581 70 C 5 pz Ryd( 3p) 0.00242 0.94633 71 C 5 dxy Ryd( 3d) 0.00115 2.64886 72 C 5 dxz Ryd( 3d) 0.00090 2.33798 73 C 5 dyz Ryd( 3d) 0.00075 2.34819 74 C 5 dx2y2 Ryd( 3d) 0.00120 2.63857 75 C 5 dz2 Ryd( 3d) 0.00066 2.40821 76 C 6 S Cor( 1S) 1.99908 -11.08755 77 C 6 S Val( 2S) 0.96198 -0.17064 78 C 6 S Ryd( 3S) 0.00063 1.45903 79 C 6 S Ryd( 4S) 0.00002 4.34762 80 C 6 px Val( 2p) 1.11939 -0.03616 81 C 6 px Ryd( 3p) 0.00574 1.14480 82 C 6 py Val( 2p) 1.11333 -0.02863 83 C 6 py Ryd( 3p) 0.00624 1.09031 84 C 6 pz Val( 2p) 0.97546 -0.04343 85 C 6 pz Ryd( 3p) 0.00230 0.87005 86 C 6 dxy Ryd( 3d) 0.00139 2.59638 87 C 6 dxz Ryd( 3d) 0.00075 2.39736 88 C 6 dyz Ryd( 3d) 0.00077 2.31834 89 C 6 dx2y2 Ryd( 3d) 0.00111 2.61516 90 C 6 dz2 Ryd( 3d) 0.00080 2.40845 91 C 7 S Cor( 1S) 1.99909 -11.07884 92 C 7 S Val( 2S) 0.95584 -0.16333 93 C 7 S Ryd( 3S) 0.00078 1.42631 94 C 7 S Ryd( 4S) 0.00002 4.39225 95 C 7 px Val( 2p) 1.05485 -0.02052 96 C 7 px Ryd( 3p) 0.00593 0.90839 97 C 7 py Val( 2p) 1.18457 -0.04076 98 C 7 py Ryd( 3p) 0.00653 1.33747 99 C 7 pz Val( 2p) 1.03655 -0.05382 100 C 7 pz Ryd( 3p) 0.00247 0.89061 101 C 7 dxy Ryd( 3d) 0.00111 2.63228 102 C 7 dxz Ryd( 3d) 0.00070 2.49062 103 C 7 dyz Ryd( 3d) 0.00080 2.23110 104 C 7 dx2y2 Ryd( 3d) 0.00131 2.61083 105 C 7 dz2 Ryd( 3d) 0.00072 2.41713 106 C 8 S Cor( 1S) 1.99907 -11.08234 107 C 8 S Val( 2S) 0.94895 -0.14993 108 C 8 S Ryd( 3S) 0.00068 1.51087 109 C 8 S Ryd( 4S) 0.00002 4.33658 110 C 8 px Val( 2p) 1.15044 -0.04320 111 C 8 px Ryd( 3p) 0.00526 1.29998 112 C 8 py Val( 2p) 1.06368 -0.00904 113 C 8 py Ryd( 3p) 0.00587 1.02485 114 C 8 pz Val( 2p) 0.97722 -0.04005 115 C 8 pz Ryd( 3p) 0.00195 0.98832 116 C 8 dxy Ryd( 3d) 0.00111 2.70758 117 C 8 dxz Ryd( 3d) 0.00090 2.35504 118 C 8 dyz Ryd( 3d) 0.00082 2.37724 119 C 8 dx2y2 Ryd( 3d) 0.00124 2.65310 120 C 8 dz2 Ryd( 3d) 0.00067 2.43318 121 H 9 S Val( 1S) 0.75290 0.21535 122 H 9 S Ryd( 2S) 0.00142 0.90469 123 H 10 S Val( 1S) 0.76678 0.19439 124 H 10 S Ryd( 2S) 0.00048 0.71539 125 H 11 S Val( 1S) 0.76668 0.19130 126 H 11 S Ryd( 2S) 0.00046 0.71008 127 H 12 S Val( 1S) 0.76560 0.19673 128 H 12 S Ryd( 2S) 0.00049 0.71664 129 H 13 S Val( 1S) 0.74384 0.22005 130 H 13 S Ryd( 2S) 0.00105 0.74563 131 O 14 S Cor( 1S) 1.99979 -20.27864 132 O 14 S Val( 2S) 1.69677 -1.13199 133 O 14 S Ryd( 3S) 0.00030 2.72430 134 O 14 S Ryd( 4S) 0.00005 3.33487 135 O 14 px Val( 2p) 1.77517 -0.39349 136 O 14 px Ryd( 3p) 0.00303 1.48986 137 O 14 py Val( 2p) 1.59001 -0.38920 138 O 14 py Ryd( 3p) 0.00050 1.58286 139 O 14 pz Val( 2p) 1.57731 -0.35117 140 O 14 pz Ryd( 3p) 0.00093 1.46096 141 O 14 dxy Ryd( 3d) 0.00391 2.26747 142 O 14 dxz Ryd( 3d) 0.00126 2.21946 143 O 14 dyz Ryd( 3d) 0.00541 2.58229 144 O 14 dx2y2 Ryd( 3d) 0.00414 2.45686 145 O 14 dz2 Ryd( 3d) 0.00350 2.20765 146 C 15 S Cor( 1S) 1.99898 -11.08761 147 C 15 S Val( 2S) 0.88878 -0.13219 148 C 15 S Ryd( 3S) 0.00113 1.27348 149 C 15 S Ryd( 4S) 0.00004 4.68054 150 C 15 px Val( 2p) 1.03754 -0.05062 151 C 15 px Ryd( 3p) 0.00542 1.22420 152 C 15 py Val( 2p) 1.07565 -0.04393 153 C 15 py Ryd( 3p) 0.00483 1.25397 154 C 15 pz Val( 2p) 1.06620 -0.04768 155 C 15 pz Ryd( 3p) 0.00487 1.21300 156 C 15 dxy Ryd( 3d) 0.00102 2.56951 157 C 15 dxz Ryd( 3d) 0.00093 2.61430 158 C 15 dyz Ryd( 3d) 0.00102 2.63007 159 C 15 dx2y2 Ryd( 3d) 0.00089 2.47911 160 C 15 dz2 Ryd( 3d) 0.00085 2.45657 161 C 16 S Cor( 1S) 1.99902 -11.07988 162 C 16 S Val( 2S) 0.94499 -0.15369 163 C 16 S Ryd( 3S) 0.00077 1.45016 164 C 16 S Ryd( 4S) 0.00003 4.41206 165 C 16 px Val( 2p) 1.06261 -0.04835 166 C 16 px Ryd( 3p) 0.00411 1.04846 167 C 16 py Val( 2p) 1.07226 -0.03063 168 C 16 py Ryd( 3p) 0.00535 0.98031 169 C 16 pz Val( 2p) 1.14023 -0.05670 170 C 16 pz Ryd( 3p) 0.00489 1.20815 171 C 16 dxy Ryd( 3d) 0.00083 2.60545 172 C 16 dxz Ryd( 3d) 0.00097 2.53621 173 C 16 dyz Ryd( 3d) 0.00104 2.57761 174 C 16 dx2y2 Ryd( 3d) 0.00085 2.45826 175 C 16 dz2 Ryd( 3d) 0.00088 2.31195 176 C 17 S Cor( 1S) 1.99908 -11.08413 177 C 17 S Val( 2S) 0.95510 -0.16539 178 C 17 S Ryd( 3S) 0.00073 1.43782 179 C 17 S Ryd( 4S) 0.00002 4.37256 180 C 17 px Val( 2p) 1.03728 -0.03719 181 C 17 px Ryd( 3p) 0.00407 0.91789 182 C 17 py Val( 2p) 1.15357 -0.04607 183 C 17 py Ryd( 3p) 0.00567 1.26290 184 C 17 pz Val( 2p) 1.05255 -0.03246 185 C 17 pz Ryd( 3p) 0.00507 0.93100 186 C 17 dxy Ryd( 3d) 0.00097 2.47170 187 C 17 dxz Ryd( 3d) 0.00079 2.63783 188 C 17 dyz Ryd( 3d) 0.00106 2.51839 189 C 17 dx2y2 Ryd( 3d) 0.00098 2.33484 190 C 17 dz2 Ryd( 3d) 0.00092 2.39606 191 C 18 S Cor( 1S) 1.99908 -11.08254 192 C 18 S Val( 2S) 0.95884 -0.16740 193 C 18 S Ryd( 3S) 0.00064 1.44758 194 C 18 S Ryd( 4S) 0.00002 4.35968 195 C 18 px Val( 2p) 1.09867 -0.05001 196 C 18 px Ryd( 3p) 0.00404 1.11113 197 C 18 py Val( 2p) 1.07964 -0.03009 198 C 18 py Ryd( 3p) 0.00553 0.99834 199 C 18 pz Val( 2p) 1.07380 -0.03555 200 C 18 pz Ryd( 3p) 0.00492 0.99897 201 C 18 dxy Ryd( 3d) 0.00104 2.49118 202 C 18 dxz Ryd( 3d) 0.00100 2.52107 203 C 18 dyz Ryd( 3d) 0.00096 2.59404 204 C 18 dx2y2 Ryd( 3d) 0.00083 2.36907 205 C 18 dz2 Ryd( 3d) 0.00087 2.37512 206 C 19 S Cor( 1S) 1.99909 -11.08307 207 C 19 S Val( 2S) 0.95694 -0.16482 208 C 19 S Ryd( 3S) 0.00075 1.43039 209 C 19 S Ryd( 4S) 0.00002 4.38173 210 C 19 px Val( 2p) 1.04408 -0.03700 211 C 19 px Ryd( 3p) 0.00408 0.94913 212 C 19 py Val( 2p) 1.06806 -0.02690 213 C 19 py Ryd( 3p) 0.00568 0.97441 214 C 19 pz Val( 2p) 1.12674 -0.04538 215 C 19 pz Ryd( 3p) 0.00503 1.19614 216 C 19 dxy Ryd( 3d) 0.00086 2.58196 217 C 19 dxz Ryd( 3d) 0.00098 2.51514 218 C 19 dyz Ryd( 3d) 0.00112 2.52470 219 C 19 dx2y2 Ryd( 3d) 0.00088 2.43665 220 C 19 dz2 Ryd( 3d) 0.00092 2.30330 221 C 20 S Cor( 1S) 1.99903 -11.07691 222 C 20 S Val( 2S) 0.94879 -0.15307 223 C 20 S Ryd( 3S) 0.00078 1.45317 224 C 20 S Ryd( 4S) 0.00002 4.38936 225 C 20 px Val( 2p) 1.04131 -0.03942 226 C 20 px Ryd( 3p) 0.00350 0.99576 227 C 20 py Val( 2p) 1.16673 -0.05035 228 C 20 py Ryd( 3p) 0.00558 1.28081 229 C 20 pz Val( 2p) 1.04678 -0.02722 230 C 20 pz Ryd( 3p) 0.00458 0.95145 231 C 20 dxy Ryd( 3d) 0.00098 2.49777 232 C 20 dxz Ryd( 3d) 0.00076 2.66540 233 C 20 dyz Ryd( 3d) 0.00099 2.57043 234 C 20 dx2y2 Ryd( 3d) 0.00096 2.35287 235 C 20 dz2 Ryd( 3d) 0.00090 2.40906 236 H 21 S Val( 1S) 0.74820 0.21162 237 H 21 S Ryd( 2S) 0.00110 0.76806 238 H 22 S Val( 1S) 0.76508 0.19474 239 H 22 S Ryd( 2S) 0.00047 0.71334 240 H 23 S Val( 1S) 0.76675 0.19237 241 H 23 S Ryd( 2S) 0.00046 0.71157 242 H 24 S Val( 1S) 0.76745 0.18968 243 H 24 S Ryd( 2S) 0.00048 0.71064 244 H 25 S Val( 1S) 0.76263 0.18932 245 H 25 S Ryd( 2S) 0.00100 0.77589 246 O 26 S Cor( 1S) 1.99983 -20.38802 247 O 26 S Val( 2S) 1.68443 -1.15141 248 O 26 S Ryd( 3S) 0.00104 1.91730 249 O 26 S Ryd( 4S) 0.00003 3.93387 250 O 26 px Val( 2p) 1.74256 -0.44666 251 O 26 px Ryd( 3p) 0.00122 1.46904 252 O 26 py Val( 2p) 1.87523 -0.48026 253 O 26 py Ryd( 3p) 0.00203 1.37997 254 O 26 pz Val( 2p) 1.48396 -0.35926 255 O 26 pz Ryd( 3p) 0.00186 1.44468 256 O 26 dxy Ryd( 3d) 0.00175 2.24421 257 O 26 dxz Ryd( 3d) 0.00232 2.71017 258 O 26 dyz Ryd( 3d) 0.00073 2.53702 259 O 26 dx2y2 Ryd( 3d) 0.00198 2.35611 260 O 26 dz2 Ryd( 3d) 0.00051 2.49842 261 H 27 S Val( 1S) 0.50473 0.28703 262 H 27 S Ryd( 2S) 0.00108 0.78672 263 H 28 S Val( 1S) 0.76142 0.17080 264 H 28 S Ryd( 2S) 0.00178 0.79882 WARNING: 1 low occupancy (<1.9990e) core orbital found on C 1 1 low occupancy (<1.9990e) core orbital found on C 3 1 low occupancy (<1.9990e) core orbital found on C 15 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 0.07101 1.99897 3.90374 0.02628 5.92899 C 2 0.68091 1.99923 3.27757 0.04228 5.31909 C 3 -0.19254 1.99892 4.17336 0.02026 6.19254 C 4 -0.15493 1.99907 4.13568 0.02017 6.15493 C 5 -0.25079 1.99909 4.23165 0.02005 6.25079 C 6 -0.18899 1.99908 4.17015 0.01975 6.18899 C 7 -0.25128 1.99909 4.23182 0.02037 6.25128 C 8 -0.15787 1.99907 4.14028 0.01851 6.15787 H 9 0.24568 0.00000 0.75290 0.00142 0.75432 H 10 0.23275 0.00000 0.76678 0.00048 0.76725 H 11 0.23285 0.00000 0.76668 0.00046 0.76715 H 12 0.23391 0.00000 0.76560 0.00049 0.76609 H 13 0.25511 0.00000 0.74384 0.00105 0.74489 O 14 -0.66208 1.99979 6.63926 0.02303 8.66208 C 15 -0.08812 1.99898 4.06817 0.02097 6.08812 C 16 -0.23882 1.99902 4.22009 0.01971 6.23882 C 17 -0.21786 1.99908 4.19849 0.02029 6.21786 C 18 -0.22990 1.99908 4.21096 0.01986 6.22990 C 19 -0.21524 1.99909 4.19583 0.02032 6.21524 C 20 -0.22168 1.99903 4.20361 0.01905 6.22168 H 21 0.25070 0.00000 0.74820 0.00110 0.74930 H 22 0.23444 0.00000 0.76508 0.00047 0.76556 H 23 0.23279 0.00000 0.76675 0.00046 0.76721 H 24 0.23206 0.00000 0.76745 0.00048 0.76794 H 25 0.23638 0.00000 0.76263 0.00100 0.76362 O 26 -0.79950 1.99983 6.78619 0.01348 8.79950 H 27 0.49419 0.00000 0.50473 0.00108 0.50581 H 28 0.23679 0.00000 0.76142 0.00178 0.76321 ======================================================================= * Total * 0.00000 31.98643 79.65892 0.35465 112.00000 Natural Population -------------------------------------------------------- Core 31.98643 ( 99.9576% of 32) Valence 79.65892 ( 99.5737% of 80) Natural Minimal Basis 111.64535 ( 99.6834% of 112) Natural Rydberg Basis 0.35465 ( 0.3166% of 112) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 0.96)2p( 2.95)3p( 0.01)3d( 0.01) C 2 [core]2S( 0.85)2p( 2.43)3S( 0.01)3p( 0.03)3d( 0.01) C 3 [core]2S( 0.90)2p( 3.27)3p( 0.02) C 4 [core]2S( 0.95)2p( 3.18)3p( 0.01) C 5 [core]2S( 0.96)2p( 3.27)3p( 0.01) C 6 [core]2S( 0.96)2p( 3.21)3p( 0.01) C 7 [core]2S( 0.96)2p( 3.28)3p( 0.01) C 8 [core]2S( 0.95)2p( 3.19)3p( 0.01) H 9 1S( 0.75) H 10 1S( 0.77) H 11 1S( 0.77) H 12 1S( 0.77) H 13 1S( 0.74) O 14 [core]2S( 1.70)2p( 4.94)3d( 0.02) C 15 [core]2S( 0.89)2p( 3.18)3p( 0.02) C 16 [core]2S( 0.94)2p( 3.28)3p( 0.01) C 17 [core]2S( 0.96)2p( 3.24)3p( 0.01) C 18 [core]2S( 0.96)2p( 3.25)3p( 0.01) C 19 [core]2S( 0.96)2p( 3.24)3p( 0.01) C 20 [core]2S( 0.95)2p( 3.25)3p( 0.01) H 21 1S( 0.75) H 22 1S( 0.77) H 23 1S( 0.77) H 24 1S( 0.77) H 25 1S( 0.76) O 26 [core]2S( 1.68)2p( 5.10)3p( 0.01)3d( 0.01) H 27 1S( 0.50) H 28 1S( 0.76) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 105.44332 6.55668 16 30 0 10 6 6 0.45 2(2) 1.90 105.44332 6.55668 16 30 0 10 6 6 0.45 3(1) 1.80 105.44332 6.55668 16 30 0 10 6 6 0.45 4(2) 1.80 105.44332 6.55668 16 30 0 10 6 6 0.45 5(1) 1.70 105.44332 6.55668 16 30 0 10 6 6 0.45 6(2) 1.70 105.44332 6.55668 16 30 0 10 6 6 0.45 7(1) 1.60 109.25657 2.74343 16 36 0 4 0 6 0.44 8(2) 1.60 109.23079 2.76921 16 36 0 4 0 6 0.45 9(3) 1.60 108.68220 3.31780 16 35 0 5 1 6 0.44 10(4) 1.60 109.25657 2.74343 16 36 0 4 0 6 0.44 11(5) 1.60 108.68220 3.31780 16 35 0 5 1 6 0.44 12(6) 1.60 109.25657 2.74343 16 36 0 4 0 6 0.44 13(7) 1.60 108.68220 3.31780 16 35 0 5 1 6 0.44 14(8) 1.60 109.25657 2.74343 16 36 0 4 0 6 0.44 15(9) 1.60 108.68220 3.31780 16 35 0 5 1 6 0.44 16(1) 1.50 108.28498 3.71502 16 36 0 4 1 8 0.74 17(2) 1.50 109.25657 2.74343 16 36 0 4 0 6 0.44 18(3) 1.50 109.23079 2.76921 16 36 0 4 0 6 0.45 19(4) 1.50 108.68220 3.31780 16 35 0 5 1 6 0.44 20(5) 1.50 109.25657 2.74343 16 36 0 4 0 6 0.44 21(6) 1.50 108.68220 3.31780 16 35 0 5 1 6 0.44 22(7) 1.50 109.25657 2.74343 16 36 0 4 0 6 0.44 23(8) 1.50 108.68220 3.31780 16 35 0 5 1 6 0.44 24(9) 1.50 109.25657 2.74343 16 36 0 4 0 6 0.44 25(1) 1.60 109.25657 2.74343 16 36 0 4 0 6 0.44 ----------------------------------------------------------------------------- Structure accepted: RESONANCE keyword permits strongly delocalized structure WARNING: 1 low occupancy (<1.9990e) core orbital found on C 1 1 low occupancy (<1.9990e) core orbital found on C 3 1 low occupancy (<1.9990e) core orbital found on C 15 -------------------------------------------------------- Core 31.98646 ( 99.958% of 32) Valence Lewis 77.27011 ( 96.588% of 80) ================== ============================ Total Lewis 109.25657 ( 97.551% of 112) ----------------------------------------------------- Valence non-Lewis 2.52567 ( 2.255% of 112) Rydberg non-Lewis 0.21776 ( 0.194% of 112) ================== ============================ Total non-Lewis 2.74343 ( 2.449% of 112) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.97453) BD ( 1) C 1 - C 2 ( 51.27%) 0.7161* C 1 s( 26.09%)p 2.83( 73.76%)d 0.01( 0.14%) 0.0000 0.5108 0.0004 0.0010 0.6899 0.0051 0.1149 0.0143 -0.4980 0.0151 0.0068 -0.0315 -0.0018 0.0193 0.0018 ( 48.73%) 0.6980* C 2 s( 33.42%)p 1.99( 66.45%)d 0.00( 0.14%) 0.0001 0.5776 0.0236 0.0015 -0.6193 0.0170 -0.1363 0.0259 0.5113 -0.0015 0.0126 -0.0291 -0.0083 0.0166 0.0038 2. (1.97297) BD ( 1) C 1 - C 15 ( 49.12%) 0.7008* C 1 s( 28.62%)p 2.49( 71.26%)d 0.00( 0.12%) 0.0001 0.5350 -0.0059 0.0012 -0.5950 -0.0170 -0.4603 0.0021 -0.3825 0.0073 0.0209 0.0190 0.0190 0.0057 -0.0029 ( 50.88%) 0.7133* C 15 s( 30.48%)p 2.28( 69.41%)d 0.00( 0.10%) 0.0001 0.5520 0.0114 -0.0022 0.5925 -0.0194 0.4093 -0.0089 0.4185 0.0040 0.0198 0.0200 0.0126 0.0074 -0.0038 3. (1.99393) BD ( 1) C 1 - O 26 ( 32.48%) 0.5699* C 1 s( 20.62%)p 3.83( 79.02%)d 0.02( 0.36%) -0.0002 0.4525 -0.0374 -0.0044 0.2652 0.0201 -0.4267 0.0014 0.7323 0.0327 -0.0162 0.0274 -0.0408 -0.0073 0.0301 ( 67.52%) 0.8217* O 26 s( 31.34%)p 2.19( 68.52%)d 0.00( 0.13%) 0.0001 0.5598 0.0027 -0.0007 -0.2812 0.0064 0.3892 -0.0010 -0.6743 0.0014 -0.0177 0.0216 -0.0213 0.0032 0.0085 4. (1.97436) BD ( 1) C 1 - H 28 ( 62.10%) 0.7880* C 1 s( 24.72%)p 3.04( 75.14%)d 0.01( 0.14%) -0.0002 0.4967 0.0216 0.0002 -0.3114 0.0125 0.7674 -0.0256 0.2541 0.0138 -0.0193 -0.0062 0.0123 -0.0219 -0.0185 ( 37.90%) 0.6157* H 28 s(100.00%) 1.0000 0.0042 5. (1.98064) BD ( 1) C 2 - C 3 ( 48.03%) 0.6930* C 2 s( 36.08%)p 1.77( 63.80%)d 0.00( 0.12%) 0.0000 0.6006 0.0058 -0.0006 0.5840 0.0007 -0.5331 0.0029 -0.1127 -0.0046 -0.0302 -0.0010 0.0062 -0.0006 -0.0158 ( 51.97%) 0.7209* C 3 s( 30.49%)p 2.28( 69.40%)d 0.00( 0.10%) -0.0001 0.5522 0.0052 -0.0020 -0.6129 0.0095 0.5485 -0.0024 0.1320 -0.0046 -0.0267 -0.0053 0.0062 0.0034 -0.0159 6. (1.99523) BD ( 1) C 2 - O 14 ( 33.73%) 0.5808* C 2 s( 30.16%)p 2.31( 69.66%)d 0.01( 0.19%) -0.0001 0.5471 -0.0478 -0.0032 0.0603 -0.0045 0.7548 0.0588 -0.3439 -0.0379 0.0060 0.0039 -0.0287 -0.0309 -0.0074 ( 66.27%) 0.8141* O 14 s( 42.59%)p 1.34( 56.98%)d 0.01( 0.43%) 0.0000 0.6526 -0.0046 -0.0030 0.0495 -0.0004 -0.6112 -0.0067 0.4401 0.0048 -0.0017 0.0026 -0.0512 -0.0407 -0.0044 7. (1.98127) BD ( 2) C 2 - O 14 ( 29.19%) 0.5403* C 2 s( 0.24%)p99.99( 99.45%)d 1.33( 0.31%) 0.0000 -0.0487 0.0014 0.0001 0.5177 -0.0298 0.3482 -0.0235 0.7767 -0.0222 0.0263 -0.0150 0.0259 -0.0176 -0.0352 ( 70.81%) 0.8415* O 14 s( 0.36%)p99.99( 99.19%)d 1.26( 0.45%) 0.0000 -0.0599 -0.0006 -0.0010 0.5357 -0.0024 0.4770 -0.0001 0.6909 -0.0008 -0.0315 0.0170 -0.0238 0.0274 0.0439 8. (1.97513) BD ( 1) C 3 - C 4 ( 51.39%) 0.7169* C 3 s( 34.24%)p 1.92( 65.68%)d 0.00( 0.08%) -0.0002 0.5852 -0.0027 0.0011 0.6801 0.0073 0.2571 0.0133 -0.3577 -0.0036 0.0137 -0.0185 -0.0069 0.0136 -0.0059 ( 48.61%) 0.6972* C 4 s( 34.13%)p 1.93( 65.78%)d 0.00( 0.09%) -0.0001 0.5842 -0.0082 0.0012 -0.6916 -0.0219 -0.2403 0.0131 0.3478 0.0074 0.0147 -0.0192 -0.0078 0.0149 -0.0071 9. (1.97639) BD ( 1) C 3 - C 8 ( 51.23%) 0.7157* C 3 s( 35.20%)p 1.84( 64.71%)d 0.00( 0.08%) -0.0003 0.5933 -0.0062 0.0009 -0.1030 -0.0136 -0.7656 -0.0097 0.2238 0.0067 0.0069 -0.0014 -0.0126 -0.0216 -0.0115 ( 48.77%) 0.6984* C 8 s( 34.15%)p 1.93( 65.76%)d 0.00( 0.09%) -0.0001 0.5843 -0.0085 0.0009 0.0702 -0.0171 0.7878 0.0215 -0.1770 0.0032 0.0055 -0.0016 -0.0124 -0.0237 -0.0131 10. (1.64547) BD ( 2) C 3 - C 8 ( 55.73%) 0.7465* C 3 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0001 0.0041 -0.0001 0.0001 0.3876 -0.0068 0.2132 -0.0047 0.8966 -0.0113 -0.0055 0.0036 -0.0145 0.0033 0.0026 ( 44.27%) 0.6653* C 8 s( 0.01%)p 1.00( 99.91%)d 0.00( 0.08%) -0.0001 -0.0074 -0.0009 -0.0002 0.3860 -0.0063 0.1744 -0.0006 0.9053 -0.0110 0.0106 0.0105 0.0160 0.0026 -0.0181 11. (1.98132) BD ( 1) C 4 - C 5 ( 50.12%) 0.7079* C 4 s( 35.56%)p 1.81( 64.35%)d 0.00( 0.09%) 0.0000 0.5962 -0.0115 0.0001 0.6065 0.0369 -0.5038 0.0136 -0.1411 -0.0190 -0.0251 -0.0058 0.0050 0.0017 -0.0140 ( 49.88%) 0.7063* C 5 s( 35.21%)p 1.84( 64.70%)d 0.00( 0.09%) -0.0001 0.5933 -0.0094 0.0008 -0.5864 -0.0001 0.5320 0.0428 0.1350 -0.0093 -0.0245 -0.0076 0.0059 0.0049 -0.0136 12. (1.65187) BD ( 2) C 4 - C 5 ( 46.46%) 0.6816* C 4 s( 0.00%)p 1.00( 99.91%)d 0.00( 0.09%) 0.0001 -0.0026 0.0011 0.0000 0.3807 -0.0071 0.2028 -0.0042 0.9015 -0.0171 -0.0086 0.0105 -0.0247 0.0096 0.0032 ( 53.54%) 0.7317* C 5 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 0.0000 0.0002 0.0001 0.3825 -0.0104 0.1925 -0.0052 0.9028 -0.0261 -0.0044 -0.0189 0.0032 -0.0102 0.0161 13. (1.98264) BD ( 1) C 4 - H 13 ( 62.82%) 0.7926* C 4 s( 30.26%)p 2.30( 69.65%)d 0.00( 0.10%) -0.0003 0.5498 0.0151 -0.0009 0.0780 0.0017 0.8032 -0.0176 -0.2121 0.0019 0.0042 -0.0015 -0.0126 -0.0251 -0.0132 ( 37.18%) 0.6098* H 13 s(100.00%) 1.0000 0.0023 14. (1.98204) BD ( 1) C 5 - C 6 ( 49.92%) 0.7066* C 5 s( 34.94%)p 1.86( 64.97%)d 0.00( 0.09%) -0.0001 0.5910 -0.0090 0.0004 -0.0660 0.0300 -0.7783 -0.0322 0.1939 -0.0060 0.0064 -0.0019 -0.0128 -0.0233 -0.0122 ( 50.08%) 0.7076* C 6 s( 35.09%)p 1.85( 64.82%)d 0.00( 0.09%) -0.0001 0.5923 -0.0085 0.0005 0.1053 0.0354 0.7706 0.0174 -0.2032 -0.0185 0.0041 -0.0013 -0.0119 -0.0241 -0.0128 15. (1.98449) BD ( 1) C 5 - H 12 ( 61.73%) 0.7857* C 5 s( 29.81%)p 2.35( 70.09%)d 0.00( 0.10%) -0.0003 0.5458 0.0150 -0.0009 0.7093 -0.0136 0.2647 -0.0046 -0.3570 0.0068 0.0146 -0.0199 -0.0075 0.0168 -0.0075 ( 38.27%) 0.6186* H 12 s(100.00%) 1.0000 0.0012 16. (1.98210) BD ( 1) C 6 - C 7 ( 50.03%) 0.7073* C 6 s( 35.14%)p 1.84( 64.77%)d 0.00( 0.09%) -0.0001 0.5927 -0.0088 0.0005 -0.6748 -0.0086 -0.2716 -0.0410 0.3415 0.0123 0.0127 -0.0190 -0.0065 0.0168 -0.0072 ( 49.97%) 0.7069* C 7 s( 35.09%)p 1.85( 64.82%)d 0.00( 0.09%) -0.0001 0.5923 -0.0091 0.0007 0.6890 0.0354 0.2364 -0.0248 -0.3400 -0.0100 0.0147 -0.0186 -0.0075 0.0151 -0.0070 17. (1.65365) BD ( 2) C 6 - C 7 ( 47.35%) 0.6881* C 6 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 -0.0017 -0.0001 -0.0001 0.3808 -0.0103 0.1878 -0.0049 0.9046 -0.0242 -0.0023 -0.0200 0.0083 -0.0114 0.0151 ( 52.65%) 0.7256* C 7 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 0.0014 0.0000 0.0001 0.3816 -0.0104 0.1856 -0.0054 0.9047 -0.0247 0.0106 0.0065 0.0186 0.0001 -0.0148 18. (1.98480) BD ( 1) C 6 - H 11 ( 61.67%) 0.7853* C 6 s( 29.71%)p 2.36( 70.19%)d 0.00( 0.11%) -0.0003 0.5449 0.0143 -0.0008 0.6212 -0.0123 -0.5420 0.0110 -0.1480 0.0029 -0.0269 -0.0074 0.0062 0.0037 -0.0149 ( 38.33%) 0.6191* H 11 s(100.00%) 1.0000 0.0011 19. (1.98088) BD ( 1) C 7 - C 8 ( 49.75%) 0.7053* C 7 s( 35.14%)p 1.84( 64.77%)d 0.00( 0.09%) -0.0001 0.5927 -0.0095 0.0007 -0.6063 -0.0387 0.5053 -0.0093 0.1511 0.0185 -0.0251 -0.0065 0.0056 0.0020 -0.0140 ( 50.25%) 0.7089* C 8 s( 35.41%)p 1.82( 64.50%)d 0.00( 0.09%) -0.0001 0.5950 -0.0095 0.0002 0.5885 -0.0032 -0.5252 -0.0415 -0.1448 0.0099 -0.0239 -0.0085 0.0061 0.0054 -0.0131 20. (1.98447) BD ( 1) C 7 - H 10 ( 61.67%) 0.7853* C 7 s( 29.72%)p 2.36( 70.18%)d 0.00( 0.10%) 0.0003 -0.5449 -0.0151 0.0011 0.0905 -0.0018 0.8076 -0.0152 -0.2029 0.0039 -0.0058 0.0017 0.0127 0.0251 0.0134 ( 38.33%) 0.6191* H 10 s(100.00%) -1.0000 -0.0011 21. (1.98219) BD ( 1) C 8 - H 9 ( 62.37%) 0.7898* C 8 s( 30.38%)p 2.29( 69.52%)d 0.00( 0.10%) 0.0003 -0.5510 -0.0140 0.0008 0.7055 -0.0190 0.2649 0.0017 -0.3564 0.0054 -0.0144 0.0196 0.0075 -0.0170 0.0081 ( 37.63%) 0.6134* H 9 s(100.00%) -1.0000 -0.0017 22. (1.97578) BD ( 1) C 15 - C 16 ( 51.01%) 0.7142* C 15 s( 34.87%)p 1.87( 65.05%)d 0.00( 0.08%) -0.0002 0.5905 -0.0075 0.0012 -0.2374 0.0043 -0.7235 -0.0153 0.2650 0.0153 0.0131 -0.0050 -0.0144 -0.0178 -0.0095 ( 48.99%) 0.6999* C 16 s( 34.66%)p 1.88( 65.25%)d 0.00( 0.09%) 0.0000 0.5887 -0.0087 0.0010 0.2689 0.0179 0.7224 0.0207 -0.2397 0.0109 0.0142 -0.0049 -0.0147 -0.0181 -0.0100 23. (1.67641) BD ( 2) C 15 - C 16 ( 50.08%) 0.7077* C 15 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) -0.0001 0.0006 -0.0043 -0.0005 -0.7000 0.0160 0.4368 -0.0051 0.5641 -0.0106 0.0074 -0.0064 -0.0121 0.0185 -0.0019 ( 49.92%) 0.7065* C 16 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 0.0019 -0.0013 -0.0003 -0.6945 0.0145 0.4445 -0.0089 0.5648 -0.0114 -0.0146 0.0110 0.0030 -0.0068 -0.0177 24. (1.97488) BD ( 1) C 15 - C 20 ( 51.19%) 0.7155* C 15 s( 34.59%)p 1.89( 65.33%)d 0.00( 0.08%) -0.0002 0.5881 -0.0059 0.0009 -0.3176 -0.0019 0.3419 0.0179 -0.6596 -0.0122 -0.0080 0.0159 -0.0179 -0.0008 0.0145 ( 48.81%) 0.6986* C 20 s( 34.46%)p 1.90( 65.45%)d 0.00( 0.09%) 0.0000 0.5869 -0.0087 0.0010 0.3395 0.0191 -0.3143 0.0096 0.6631 0.0185 -0.0083 0.0173 -0.0178 -0.0004 0.0149 25. (1.98024) BD ( 1) C 16 - C 17 ( 50.40%) 0.7099* C 16 s( 35.49%)p 1.82( 64.43%)d 0.00( 0.09%) -0.0001 0.5956 -0.0108 0.0003 -0.5732 -0.0149 -0.4006 -0.0400 -0.3915 0.0117 0.0168 0.0194 0.0119 0.0077 -0.0026 ( 49.60%) 0.7043* C 17 s( 35.08%)p 1.85( 64.83%)d 0.00( 0.09%) -0.0001 0.5922 -0.0096 0.0005 0.5757 0.0200 0.3773 -0.0144 0.4155 0.0362 0.0189 0.0182 0.0124 0.0063 -0.0044 26. (1.98297) BD ( 1) C 16 - H 25 ( 61.90%) 0.7868* C 16 s( 29.80%)p 2.35( 70.10%)d 0.00( 0.10%) -0.0003 0.5457 0.0155 -0.0010 0.3387 -0.0122 -0.3428 0.0000 0.6845 -0.0120 -0.0088 0.0184 -0.0182 -0.0002 0.0160 ( 38.10%) 0.6172* H 25 s(100.00%) 1.0000 0.0020 27. (1.98179) BD ( 1) C 17 - C 18 ( 50.09%) 0.7077* C 17 s( 35.25%)p 1.83( 64.66%)d 0.00( 0.09%) -0.0001 0.5937 -0.0087 0.0007 -0.3366 -0.0315 0.3112 -0.0182 -0.6592 -0.0248 -0.0083 0.0165 -0.0181 -0.0009 0.0147 ( 49.91%) 0.7065* C 18 s( 35.09%)p 1.85( 64.82%)d 0.00( 0.09%) -0.0001 0.5923 -0.0090 0.0005 0.3122 -0.0105 -0.3435 -0.0392 0.6564 0.0177 -0.0081 0.0181 -0.0164 0.0007 0.0153 28. (1.66754) BD ( 2) C 17 - C 18 ( 49.76%) 0.7054* C 17 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 -0.0001 0.0004 0.0000 -0.6966 0.0191 0.4417 -0.0122 0.5641 -0.0155 -0.0152 0.0118 0.0048 -0.0097 -0.0166 ( 50.24%) 0.7088* C 18 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 -0.0001 0.0004 0.0001 -0.6969 0.0192 0.4424 -0.0122 0.5631 -0.0158 0.0057 -0.0037 0.0110 -0.0146 0.0198 29. (1.98452) BD ( 1) C 17 - H 24 ( 61.63%) 0.7850* C 17 s( 29.62%)p 2.37( 70.28%)d 0.00( 0.10%) 0.0003 -0.5440 -0.0150 0.0010 0.2596 -0.0045 0.7508 -0.0147 -0.2673 0.0061 -0.0155 0.0052 0.0161 0.0197 0.0110 ( 38.37%) 0.6194* H 24 s(100.00%) -1.0000 -0.0011 30. (1.98194) BD ( 1) C 18 - C 19 ( 50.00%) 0.7071* C 18 s( 35.02%)p 1.85( 64.89%)d 0.00( 0.09%) 0.0001 -0.5917 0.0086 -0.0005 -0.2391 0.0148 -0.7193 -0.0216 0.2691 0.0355 -0.0156 0.0047 0.0138 0.0180 0.0110 ( 50.00%) 0.7071* C 19 s( 35.08%)p 1.85( 64.83%)d 0.00( 0.09%) 0.0001 -0.5922 0.0087 -0.0007 0.2649 0.0311 0.7209 0.0244 -0.2375 0.0194 -0.0140 0.0048 0.0156 0.0184 0.0099 31. (1.98466) BD ( 1) C 18 - H 23 ( 61.67%) 0.7853* C 18 s( 29.84%)p 2.35( 70.06%)d 0.00( 0.10%) -0.0003 0.5461 0.0145 -0.0007 -0.5982 0.0114 -0.4071 0.0078 -0.4205 0.0078 0.0193 0.0200 0.0133 0.0075 -0.0039 ( 38.33%) 0.6191* H 23 s(100.00%) 1.0000 0.0011 32. (1.98056) BD ( 1) C 19 - C 20 ( 49.73%) 0.7052* C 19 s( 35.17%)p 1.84( 64.74%)d 0.00( 0.09%) -0.0001 0.5929 -0.0096 0.0007 0.5732 0.0163 0.4038 0.0395 0.3923 -0.0105 0.0173 0.0196 0.0123 0.0075 -0.0026 ( 50.27%) 0.7090* C 20 s( 35.49%)p 1.82( 64.42%)d 0.00( 0.09%) -0.0001 0.5956 -0.0116 0.0001 -0.5728 -0.0179 -0.3795 0.0165 -0.4125 -0.0364 0.0189 0.0172 0.0124 0.0059 -0.0048 33. (1.66372) BD ( 2) C 19 - C 20 ( 49.87%) 0.7062* C 19 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 0.0000 0.0005 0.0002 -0.6969 0.0183 0.4418 -0.0120 0.5636 -0.0150 0.0082 -0.0057 0.0094 -0.0117 0.0216 ( 50.13%) 0.7080* C 20 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 0.0012 -0.0003 -0.0001 -0.6972 0.0151 0.4405 -0.0087 0.5646 -0.0104 0.0092 -0.0081 -0.0134 0.0209 -0.0006 34. (1.98450) BD ( 1) C 19 - H 22 ( 61.75%) 0.7858* C 19 s( 29.70%)p 2.36( 70.19%)d 0.00( 0.10%) 0.0003 -0.5448 -0.0149 0.0011 0.3361 -0.0069 -0.3444 0.0069 0.6856 -0.0134 0.0089 -0.0184 0.0188 0.0004 -0.0160 ( 38.25%) 0.6185* H 22 s(100.00%) -1.0000 -0.0011 35. (1.98267) BD ( 1) C 20 - H 21 ( 62.61%) 0.7912* C 20 s( 30.00%)p 2.33( 69.90%)d 0.00( 0.10%) -0.0003 0.5475 0.0160 -0.0008 0.2616 -0.0110 0.7492 -0.0154 -0.2625 -0.0014 0.0160 -0.0048 -0.0148 -0.0191 -0.0113 ( 37.39%) 0.6115* H 21 s(100.00%) 1.0000 0.0022 36. (1.98944) BD ( 1) O 26 - H 27 ( 74.82%) 0.8650* O 26 s( 20.60%)p 3.85( 79.24%)d 0.01( 0.16%) -0.0001 0.4537 -0.0147 0.0024 -0.6136 0.0058 0.0210 -0.0119 0.6438 0.0278 -0.0097 -0.0292 0.0062 0.0236 -0.0062 ( 25.18%) 0.5018* H 27 s(100.00%) 1.0000 -0.0031 37. (1.99897) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (1.99924) CR ( 1) C 2 s(100.00%)p 0.00( 0.00%) 1.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0001 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (1.99892) CR ( 1) C 3 s(100.00%)p 0.00( 0.00%) 1.0000 0.0004 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (1.99908) CR ( 1) C 4 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41. (1.99909) CR ( 1) C 5 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 0.0002 0.0000 0.0001 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42. (1.99909) CR ( 1) C 6 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 0.0001 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 43. (1.99909) CR ( 1) C 7 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 44. (1.99907) CR ( 1) C 8 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 45. (1.99979) CR ( 1) O 14 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0003 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 46. (1.99898) CR ( 1) C 15 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0002 0.0000 -0.0001 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 47. (1.99902) CR ( 1) C 16 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 0.0001 0.0000 -0.0001 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 48. (1.99909) CR ( 1) C 17 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 -0.0001 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 49. (1.99908) CR ( 1) C 18 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 -0.0001 0.0000 -0.0001 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 50. (1.99910) CR ( 1) C 19 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 -0.0001 0.0000 0.0001 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 51. (1.99903) CR ( 1) C 20 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 52. (1.99983) CR ( 1) O 26 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 53. (1.97887) LP ( 1) O 14 s( 57.00%)p 0.75( 42.93%)d 0.00( 0.07%) -0.0004 0.7550 0.0025 0.0016 -0.0003 0.0007 0.5679 0.0070 -0.3267 -0.0047 -0.0010 -0.0013 0.0189 0.0176 0.0027 54. (1.92392) LP ( 2) O 14 s( 0.00%)p 1.00( 99.77%)d 0.00( 0.23%) 0.0000 0.0000 0.0020 0.0000 0.8411 -0.0076 -0.2682 0.0010 -0.4671 0.0012 -0.0353 0.0204 0.0132 -0.0113 -0.0190 55. (1.98547) LP ( 1) O 26 s( 48.02%)p 1.08( 51.92%)d 0.00( 0.06%) -0.0001 0.6930 0.0052 -0.0009 0.6294 -0.0015 -0.3285 0.0006 0.1227 0.0052 0.0156 -0.0068 0.0030 -0.0117 0.0125 56. (1.96983) LP ( 2) O 26 s( 0.00%)p 1.00( 99.91%)d 0.00( 0.09%) 0.0000 -0.0002 0.0050 -0.0001 -0.3829 0.0020 -0.8597 0.0074 -0.3366 0.0035 0.0182 0.0106 -0.0008 0.0207 0.0021 57. (0.00861) RY*( 1) C 1 s( 0.08%)p99.99( 98.96%)d11.34( 0.96%) 0.0000 0.0222 0.0128 -0.0137 -0.0062 -0.2317 0.0194 0.8140 0.0235 -0.5219 0.0098 0.0438 -0.0281 0.0540 0.0622 58. (0.00266) RY*( 2) C 1 s( 19.34%)p 3.32( 64.20%)d 0.85( 16.46%) 0.0000 0.0161 0.4334 -0.0727 0.0367 -0.7083 -0.0212 -0.3197 0.0281 -0.1885 -0.1158 0.1934 0.2383 0.0779 -0.2257 59. (0.00186) RY*( 3) C 1 s( 23.21%)p 0.21( 4.90%)d 3.10( 71.88%) 0.0000 0.0024 0.4816 -0.0142 -0.0042 0.1475 -0.0409 0.1478 -0.0032 0.0610 -0.2361 -0.3394 -0.3658 -0.4163 -0.4907 60. (0.00092) RY*( 4) C 1 s( 0.03%)p99.99( 48.51%)d99.99( 51.46%) 0.0000 0.0095 -0.0042 0.0138 0.0176 0.4280 -0.0071 -0.2069 -0.0330 -0.5076 -0.4209 0.5200 0.0655 -0.2505 0.0058 61. (0.00073) RY*( 5) C 1 s( 3.46%)p 5.24( 18.13%)d22.65( 78.41%) 0.0000 0.0142 0.1849 0.0147 0.0035 0.0586 -0.0264 -0.1952 0.0224 -0.3722 0.1661 -0.5678 0.3499 -0.3440 0.4396 62. (0.00053) RY*( 6) C 1 s( 35.61%)p 0.89( 31.51%)d 0.92( 32.88%) 0.0000 -0.0106 0.5961 -0.0240 0.0024 0.2302 -0.0069 0.2937 0.0016 0.4193 -0.1246 0.2372 0.3604 0.0933 0.3442 63. (0.00040) RY*( 7) C 1 s( 3.31%)p 7.47( 24.73%)d21.73( 71.96%) 0.0000 0.0113 0.1746 0.0498 0.0011 0.4090 -0.0221 -0.0536 0.0397 -0.2739 0.1799 -0.2017 0.2565 0.6302 -0.4286 64. (0.00018) RY*( 8) C 1 s( 1.98%)p 1.97( 3.91%)d47.53( 94.11%) 0.0000 0.0021 0.1407 0.0002 -0.0298 -0.0483 0.0031 -0.1506 -0.0163 -0.1136 -0.4907 -0.2400 -0.4852 0.4790 0.4218 65. (0.00004) RY*( 9) C 1 s( 89.07%)p 0.02( 1.72%)d 0.10( 9.21%) 66. (0.00002) RY*(10) C 1 s( 23.84%)p 0.18( 4.26%)d 3.02( 71.90%) 67. (0.01780) RY*( 1) C 2 s( 13.69%)p 6.30( 86.22%)d 0.01( 0.09%) 0.0000 0.0553 0.3639 -0.0372 -0.0098 -0.1014 0.0536 -0.7934 -0.0302 0.4675 0.0041 0.0139 0.0071 -0.0255 -0.0054 68. (0.00482) RY*( 2) C 2 s( 2.80%)p29.57( 82.72%)d 5.18( 14.49%) 0.0000 -0.0054 0.1665 -0.0145 0.0196 0.9065 0.0346 -0.0021 0.0189 0.0594 -0.3401 0.1555 0.0492 0.0302 -0.0410 69. (0.00385) RY*( 3) C 2 s( 12.03%)p 2.83( 33.99%)d 4.49( 53.98%) 0.0000 -0.0066 0.3441 0.0427 0.0537 0.1304 0.0187 0.3726 -0.0045 0.4253 0.3866 -0.3270 -0.2307 0.2829 0.3875 70. (0.00224) RY*( 4) C 2 s( 1.42%)p37.71( 53.57%)d31.69( 45.01%) 0.0000 0.0024 0.1168 0.0235 -0.0011 0.2789 -0.0131 -0.3323 -0.0405 -0.5879 0.5604 -0.3489 0.0808 0.0472 -0.0749 71. (0.00123) RY*( 5) C 2 s( 53.06%)p 0.28( 14.78%)d 0.61( 32.17%) 0.0000 -0.0072 0.7281 0.0182 -0.0112 -0.2142 0.0214 0.2769 -0.0310 -0.1538 -0.2095 -0.1176 0.4438 -0.0692 -0.2495 72. (0.00084) RY*( 6) C 2 s( 12.37%)p 1.25( 15.49%)d 5.83( 72.15%) 0.0000 -0.0023 0.3454 0.0661 0.0100 -0.1332 0.0081 -0.0543 0.0128 -0.3659 -0.0811 0.4718 -0.5620 0.4195 0.0210 73. (0.00023) RY*( 7) C 2 s( 29.89%)p 0.10( 2.96%)d 2.25( 67.16%) 0.0000 -0.0091 0.1378 0.5290 -0.0053 0.0729 -0.0270 0.1122 0.0028 0.1044 0.2730 0.1946 -0.3070 -0.6322 -0.2553 74. (0.00013) RY*( 8) C 2 s( 7.92%)p 1.20( 9.52%)d10.43( 82.57%) 0.0000 -0.0032 0.0786 0.2701 0.0069 -0.0507 0.0054 -0.1337 0.0145 -0.2728 -0.4058 -0.2771 -0.1036 -0.3192 0.6867 75. (0.00006) RY*( 9) C 2 s( 64.21%)p 0.02( 1.37%)d 0.54( 34.42%) 76. (0.00002) RY*(10) C 2 s( 2.74%)p 0.02( 0.04%)d35.51( 97.22%) 77. (0.00720) RY*( 1) C 3 s( 1.25%)p75.64( 94.69%)d 3.24( 4.06%) 0.0000 0.0015 0.1114 0.0100 -0.0093 -0.8209 0.0164 0.4216 -0.0001 0.3081 0.1805 -0.0207 -0.0772 -0.0205 0.0348 78. (0.00643) RY*( 2) C 3 s( 2.39%)p40.44( 96.80%)d 0.34( 0.81%) 0.0000 -0.0010 0.1536 0.0184 -0.0083 0.2611 -0.0152 0.8143 0.0072 -0.4862 0.0092 0.0410 -0.0233 -0.0748 -0.0132 79. (0.00118) RY*( 3) C 3 s( 3.54%)p26.27( 92.93%)d 1.00( 3.54%) 0.0000 0.0015 0.1872 0.0183 -0.0024 -0.4477 -0.0023 -0.3484 -0.0164 -0.7792 -0.0557 0.0120 -0.1135 0.1201 0.0692 80. (0.00086) RY*( 4) C 3 s( 1.48%)p 0.70( 1.03%)d66.07( 97.49%) 0.0000 0.0000 0.1213 -0.0070 0.0059 -0.0465 0.0006 -0.0542 0.0083 -0.0716 0.3851 0.3079 0.6185 0.0872 -0.5845 81. (0.00051) RY*( 5) C 3 s( 81.50%)p 0.08( 6.69%)d 0.14( 11.81%) 0.0000 0.0026 0.9027 -0.0055 0.0039 0.1449 -0.0148 -0.0575 0.0049 0.2057 -0.0989 -0.1617 0.0511 0.2641 0.0992 82. (0.00016) RY*( 6) C 3 s( 0.84%)p 1.75( 1.47%)d99.99( 97.68%) 0.0000 -0.0005 0.0813 -0.0424 0.0075 -0.0553 0.0088 -0.0659 0.0047 -0.0847 0.0342 -0.4921 0.4922 -0.6643 0.2235 83. (0.00013) RY*( 7) C 3 s( 9.84%)p 0.21( 2.03%)d 8.96( 88.13%) 0.0000 0.0025 0.2967 -0.1017 0.0116 0.0221 0.0197 -0.1242 -0.0145 0.0605 -0.0240 0.5706 -0.3332 -0.6588 -0.1009 84. (0.00007) RY*( 8) C 3 s( 2.55%)p 1.58( 4.03%)d36.59( 93.42%) 85. (0.00003) RY*( 9) C 3 s( 92.52%)p 0.00( 0.45%)d 0.08( 7.03%) 86. (0.00002) RY*(10) C 3 s( 4.15%)p 0.03( 0.12%)d23.08( 95.73%) 87. (0.00699) RY*( 1) C 4 s( 0.10%)p99.99( 97.18%)d26.92( 2.72%) 0.0000 -0.0039 0.0238 0.0207 0.0085 -0.2237 0.0262 0.9493 -0.0093 -0.1403 -0.0523 -0.0457 0.0622 0.1356 0.0122 88. (0.00437) RY*( 2) C 4 s( 0.58%)p99.99( 98.25%)d 2.00( 1.17%) 0.0000 -0.0117 0.0728 0.0202 -0.0374 0.9067 0.0185 0.1439 0.0120 -0.3711 0.0420 -0.0340 -0.0010 0.0916 0.0191 89. (0.00099) RY*( 3) C 4 s( 0.01%)p 1.00( 26.86%)d 2.72( 73.13%) 0.0000 -0.0005 0.0079 0.0044 -0.0092 -0.1831 -0.0051 -0.1049 -0.0184 -0.4729 0.1180 0.5881 -0.1909 0.3162 -0.4848 90. (0.00055) RY*( 4) C 4 s( 0.03%)p99.99( 68.65%)d99.99( 31.32%) 0.0000 0.0009 0.0170 0.0045 0.0034 0.2747 0.0019 0.1754 0.0009 0.7617 -0.0431 0.3497 -0.2942 0.2620 -0.1840 91. (0.00027) RY*( 5) C 4 s( 93.18%)p 0.01( 0.56%)d 0.07( 6.26%) 0.0000 0.0061 0.9636 0.0573 0.0070 -0.0642 -0.0263 -0.0043 0.0026 0.0263 0.2007 0.0470 -0.0542 -0.1102 0.0711 92. (0.00010) RY*( 6) C 4 s( 1.87%)p 0.39( 0.73%)d52.05( 97.40%) 0.0000 -0.0015 0.1338 -0.0284 -0.0335 0.0618 -0.0013 0.0243 0.0130 -0.0396 -0.8036 0.3220 0.2009 -0.4065 -0.1372 93. (0.00003) RY*( 7) C 4 s( 2.21%)p 1.35( 2.99%)d42.90( 94.80%) 94. (0.00002) RY*( 8) C 4 s( 95.33%)p 0.00( 0.15%)d 0.05( 4.52%) 95. (0.00000) RY*( 9) C 4 s( 5.48%)p 0.66( 3.64%)d16.59( 90.88%) 96. (0.00001) RY*(10) C 4 s( 1.26%)p 1.04( 1.31%)d77.42( 97.43%) 97. (0.00609) RY*( 1) C 5 s( 0.74%)p99.99( 95.03%)d 5.74( 4.24%) 0.0000 -0.0112 0.0801 0.0289 0.0255 0.8350 0.0115 0.2836 -0.0140 -0.4142 -0.1222 0.0851 0.0245 -0.1381 -0.0226 98. (0.00356) RY*( 2) C 5 s( 0.14%)p99.99( 99.49%)d 2.67( 0.37%) 0.0000 0.0005 0.0372 0.0020 -0.0213 0.3437 0.0508 -0.9331 -0.0016 0.0556 -0.0334 -0.0095 0.0219 0.0450 0.0016 99. (0.00072) RY*( 3) C 5 s( 0.03%)p72.05( 2.46%)d99.99( 97.50%) 0.0000 0.0000 0.0183 0.0023 0.0048 0.0603 0.0023 0.0338 0.0129 0.1402 -0.2804 0.3262 -0.8280 0.3126 0.0823 100. (0.00057) RY*( 4) C 5 s( 0.16%)p99.99( 91.69%)d49.88( 8.15%) 0.0000 -0.0001 0.0395 0.0086 -0.0084 -0.3671 -0.0042 -0.1845 -0.0174 -0.8647 0.0297 0.1932 -0.0827 0.1218 -0.1470 101. (0.00025) RY*( 5) C 5 s( 94.58%)p 0.00( 0.47%)d 0.05( 4.95%) 0.0000 0.0044 0.9715 0.0429 -0.0222 -0.0310 -0.0091 0.0304 0.0117 0.0458 0.1638 -0.0551 0.0018 0.1113 0.0854 102. (0.00012) RY*( 6) C 5 s( 0.17%)p 2.80( 0.48%)d99.99( 99.35%) 0.0000 -0.0008 0.0303 0.0283 0.0121 -0.0163 -0.0339 0.0569 0.0019 -0.0044 -0.6571 -0.1512 0.3940 0.6183 -0.0353 103. (0.00001) RY*( 7) C 5 s( 0.18%)p17.25( 3.16%)d99.99( 96.66%) 104. (0.00001) RY*( 8) C 5 s( 99.85%)p 0.00( 0.08%)d 0.00( 0.07%) 105. (0.00000) RY*( 9) C 5 s( 3.57%)p 1.34( 4.80%)d25.64( 91.63%) 106. (0.00001) RY*(10) C 5 s( 0.62%)p 4.30( 2.66%)d99.99( 96.73%) 107. (0.00600) RY*( 1) C 6 s( 0.94%)p99.99( 94.70%)d 4.64( 4.36%) 0.0000 -0.0112 0.0907 0.0325 0.0236 0.7258 -0.0215 -0.6228 -0.0054 -0.1770 0.1871 -0.0099 -0.0789 -0.0370 0.0304 108. (0.00346) RY*( 2) C 6 s( 0.00%)p 1.00( 99.68%)d 0.00( 0.32%) 0.0000 0.0002 0.0042 0.0001 -0.0304 0.5454 -0.0396 0.7434 0.0210 -0.3792 0.0079 -0.0228 0.0067 0.0497 0.0089 109. (0.00092) RY*( 3) C 6 s( 0.00%)p 1.00( 1.10%)d90.16( 98.90%) 0.0000 -0.0001 0.0033 0.0010 0.0038 -0.0384 0.0018 -0.0167 0.0098 -0.0954 0.3793 0.3613 0.5795 0.0787 -0.6104 110. (0.00057) RY*( 4) C 6 s( 0.00%)p 1.00( 93.80%)d 0.07( 6.20%) 0.0000 0.0000 0.0022 -0.0001 0.0086 0.3663 0.0043 0.1790 0.0193 0.8783 0.0691 -0.0986 0.2029 -0.0792 0.0022 111. (0.00018) RY*( 5) C 6 s( 93.40%)p 0.00( 0.25%)d 0.07( 6.35%) 0.0000 0.0057 0.9664 0.0072 -0.0199 -0.0343 0.0166 0.0243 0.0049 0.0077 -0.1915 0.0913 0.1187 0.0332 0.0575 112. (0.00012) RY*( 6) C 6 s( 0.04%)p11.00( 0.43%)d99.99( 99.54%) 0.0000 0.0002 0.0193 -0.0039 0.0193 -0.0323 0.0267 -0.0408 -0.0136 0.0166 0.1840 -0.3777 0.1216 0.8884 0.1215 113. (0.00001) RY*( 7) C 6 s( 0.95%)p 0.09( 0.08%)d99.99( 98.96%) 114. (0.00001) RY*( 8) C 6 s( 99.90%)p 0.00( 0.10%)d 0.00( 0.00%) 115. (0.00001) RY*( 9) C 6 s( 4.50%)p 1.11( 5.00%)d20.12( 90.50%) 116. (0.00000) RY*(10) C 6 s( 0.33%)p15.88( 5.18%)d99.99( 94.50%) 117. (0.00634) RY*( 1) C 7 s( 1.02%)p92.86( 94.95%)d 3.94( 4.03%) 0.0000 -0.0113 0.0950 0.0328 -0.0038 -0.1000 -0.0296 -0.9396 0.0073 0.2360 -0.0521 -0.0517 0.0621 0.1752 0.0180 118. (0.00358) RY*( 2) C 7 s( 0.12%)p99.99( 99.51%)d 2.97( 0.37%) 0.0000 -0.0001 0.0350 0.0032 -0.0506 0.9164 0.0113 -0.1810 0.0190 -0.3458 -0.0511 0.0197 0.0176 -0.0163 -0.0099 119. (0.00074) RY*( 3) C 7 s( 0.12%)p75.00( 8.90%)d99.99( 90.98%) 0.0000 -0.0001 0.0320 0.0127 0.0000 0.1086 0.0003 0.0609 -0.0028 0.2712 0.1121 0.6637 -0.1662 0.3489 -0.5544 120. (0.00061) RY*( 4) C 7 s( 0.03%)p99.99( 85.73%)d99.99( 14.24%) 0.0000 0.0002 0.0160 -0.0001 0.0090 0.3513 0.0046 0.1736 0.0203 0.8386 0.0574 -0.2092 0.2546 -0.1503 0.0891 121. (0.00027) RY*( 5) C 7 s( 94.88%)p 0.01( 0.57%)d 0.05( 4.55%) 0.0000 0.0049 0.9733 0.0389 0.0010 -0.0291 0.0258 0.0589 -0.0058 -0.0263 0.1383 0.0436 -0.0669 -0.1246 0.0668 122. (0.00011) RY*( 6) C 7 s( 1.03%)p 0.49( 0.51%)d95.31( 98.46%) 0.0000 0.0008 0.0971 -0.0300 0.0334 -0.0568 -0.0042 0.0119 -0.0126 0.0203 -0.8555 0.2690 0.2741 -0.3022 -0.1182 123. (0.00001) RY*( 7) C 7 s( 99.78%)p 0.00( 0.09%)d 0.00( 0.13%) 124. (0.00000) RY*( 8) C 7 s( 0.03%)p99.99( 4.88%)d99.99( 95.09%) 125. (0.00001) RY*( 9) C 7 s( 2.82%)p 1.58( 4.45%)d32.91( 92.73%) 126. (0.00001) RY*(10) C 7 s( 0.21%)p 3.30( 0.71%)d99.99( 99.08%) 127. (0.00584) RY*( 1) C 8 s( 0.31%)p99.99( 96.13%)d11.39( 3.56%) 0.0000 -0.0072 0.0505 0.0228 -0.0299 -0.8122 -0.0009 -0.3743 0.0118 0.4006 -0.1071 0.0782 0.0189 -0.1311 -0.0207 128. (0.00364) RY*( 2) C 8 s( 0.30%)p99.99( 99.18%)d 1.73( 0.52%) 0.0000 -0.0108 0.0522 0.0126 -0.0102 0.4108 0.0410 -0.9060 -0.0014 -0.0230 0.0466 0.0106 -0.0323 -0.0421 0.0102 129. (0.00110) RY*( 3) C 8 s( 0.01%)p99.99( 33.14%)d99.99( 66.84%) 0.0000 -0.0012 0.0080 0.0089 -0.0013 0.2211 -0.0003 0.0845 -0.0045 0.5248 0.2593 -0.2551 0.6810 -0.2559 -0.0829 130. (0.00067) RY*( 4) C 8 s( 1.83%)p34.30( 62.66%)d19.44( 35.51%) 0.0000 0.0022 0.1334 0.0214 -0.0036 -0.2967 -0.0023 -0.1116 -0.0120 -0.7252 0.0966 -0.3043 0.4463 -0.2150 0.0885 131. (0.00026) RY*( 5) C 8 s( 93.58%)p 0.01( 1.21%)d 0.06( 5.21%) 0.0000 0.0052 0.9667 0.0358 0.0226 0.0259 0.0025 0.0729 -0.0089 0.0741 0.1658 0.0632 -0.0783 0.1160 0.0326 132. (0.00012) RY*( 6) C 8 s( 0.49%)p 1.81( 0.89%)d99.99( 98.61%) 0.0000 0.0008 0.0553 -0.0434 -0.0076 0.0148 0.0349 -0.0660 -0.0006 0.0556 -0.5688 -0.1627 0.3885 0.6863 0.1192 133. (0.00004) RY*( 7) C 8 s( 1.73%)p 1.92( 3.33%)d54.79( 94.94%) 134. (0.00001) RY*( 8) C 8 s( 99.60%)p 0.00( 0.08%)d 0.00( 0.32%) 135. (0.00001) RY*( 9) C 8 s( 1.61%)p 1.33( 2.15%)d59.70( 96.24%) 136. (0.00002) RY*(10) C 8 s( 0.59%)p 2.58( 1.53%)d99.99( 97.88%) 137. (0.00142) RY*( 1) H 9 s(100.00%) -0.0017 1.0000 138. (0.00048) RY*( 1) H 10 s(100.00%) -0.0011 1.0000 139. (0.00046) RY*( 1) H 11 s(100.00%) -0.0011 1.0000 140. (0.00049) RY*( 1) H 12 s(100.00%) -0.0012 1.0000 141. (0.00106) RY*( 1) H 13 s(100.00%) -0.0023 1.0000 142. (0.00378) RY*( 1) O 14 s( 0.46%)p99.99( 97.53%)d 4.37( 2.01%) 0.0000 0.0012 0.0670 -0.0103 -0.0135 -0.8650 0.0009 0.2373 0.0050 0.4129 -0.1091 0.0642 0.0528 0.0003 -0.0357 143. (0.00037) RY*( 2) O 14 s( 31.26%)p 1.33( 41.47%)d 0.87( 27.27%) 0.0000 0.0126 0.5315 -0.1731 -0.0049 -0.2450 -0.0319 -0.1824 0.0212 -0.5657 -0.0684 0.0011 0.4304 0.2758 0.0814 144. (0.00033) RY*( 3) O 14 s( 32.14%)p 1.70( 54.75%)d 0.41( 13.11%) 0.0000 0.0073 0.5648 0.0482 0.0046 0.3744 -0.0251 0.4469 0.0057 0.4549 0.0928 0.0069 0.1136 0.3140 0.1045 145. (0.00010) RY*( 4) O 14 s( 19.16%)p 3.00( 57.54%)d 1.22( 23.30%) 146. (0.00006) RY*( 5) O 14 s( 15.45%)p 0.58( 8.92%)d 4.89( 75.63%) 147. (0.00002) RY*( 6) O 14 s( 78.43%)p 0.01( 1.06%)d 0.26( 20.51%) 148. (0.00001) RY*( 7) O 14 s( 0.43%)p 4.39( 1.88%)d99.99( 97.70%) 149. (0.00001) RY*( 8) O 14 s( 7.03%)p 3.37( 23.67%)d 9.85( 69.29%) 150. (0.00001) RY*( 9) O 14 s( 5.32%)p 2.28( 12.14%)d15.50( 82.54%) 151. (0.00000) RY*(10) O 14 s( 10.37%)p 0.21( 2.17%)d 8.44( 87.47%) 152. (0.00688) RY*( 1) C 15 s( 2.67%)p35.03( 93.49%)d 1.44( 3.84%) 0.0000 0.0065 0.1628 0.0119 0.0163 0.7348 0.0099 0.3837 0.0048 0.4973 -0.0828 -0.0693 -0.1501 -0.0594 0.0257 153. (0.00458) RY*( 2) C 15 s( 0.95%)p99.99( 97.79%)d 1.33( 1.26%) 0.0000 -0.0064 0.0968 0.0090 -0.0130 -0.0655 0.0164 -0.7390 -0.0211 0.6532 -0.0074 0.0765 0.0135 0.0585 0.0556 154. (0.00276) RY*( 3) C 15 s( 3.95%)p22.80( 90.07%)d 1.52( 5.98%) 0.0000 -0.0060 0.1986 0.0059 -0.0238 -0.6371 0.0020 0.5079 0.0125 0.4859 -0.0496 0.0386 0.1036 -0.2008 0.0694 155. (0.00096) RY*( 4) C 15 s( 1.61%)p 0.33( 0.54%)d60.88( 97.86%) 0.0000 -0.0009 0.1266 0.0061 0.0060 -0.0557 -0.0078 0.0456 -0.0078 0.0053 0.5672 -0.4157 -0.1531 0.3341 0.5907 156. (0.00058) RY*( 5) C 15 s( 87.39%)p 0.06( 5.63%)d 0.08( 6.98%) 0.0000 0.0011 0.9343 0.0304 -0.0135 0.0264 -0.0119 -0.0687 -0.0079 -0.2246 0.0466 0.1361 0.0600 0.1068 -0.1847 157. (0.00018) RY*( 6) C 15 s( 0.09%)p13.09( 1.12%)d99.99( 98.79%) 0.0000 -0.0002 0.0279 -0.0088 0.0036 -0.0016 -0.0230 0.0509 0.0226 -0.0869 -0.5129 0.4831 -0.1026 0.3293 0.6104 158. (0.00015) RY*( 7) C 15 s( 1.54%)p 4.21( 6.49%)d59.64( 91.97%) 0.0000 0.0030 0.1124 -0.0527 -0.0081 0.1524 0.0104 -0.1449 0.0077 -0.1430 -0.0172 -0.0704 0.4249 -0.7086 0.4814 159. (0.00007) RY*( 8) C 15 s( 3.11%)p 1.60( 4.96%)d29.57( 91.93%) 160. (0.00002) RY*( 9) C 15 s( 0.20%)p 0.28( 0.06%)d99.99( 99.74%) 161. (0.00003) RY*(10) C 15 s( 98.55%)p 0.00( 0.13%)d 0.01( 1.32%) 162. (0.00648) RY*( 1) C 16 s( 0.40%)p99.99( 96.20%)d 8.44( 3.40%) 0.0000 -0.0054 0.0557 0.0299 0.0113 0.5081 -0.0117 -0.2644 0.0222 0.7957 0.1129 -0.0533 0.0839 -0.0191 -0.1049 163. (0.00379) RY*( 2) C 16 s( 0.20%)p99.99( 98.96%)d 4.18( 0.84%) 0.0000 -0.0125 0.0426 0.0065 0.0272 -0.5336 0.0361 -0.8368 0.0068 0.0502 0.0207 -0.0594 -0.0347 -0.0440 -0.0362 164. (0.00098) RY*( 3) C 16 s( 0.02%)p99.99( 56.72%)d99.99( 43.26%) 0.0000 -0.0016 0.0125 -0.0008 -0.0056 -0.5080 0.0000 0.3448 0.0027 0.4361 -0.2230 0.1975 0.3124 -0.4960 -0.0161 165. (0.00073) RY*( 4) C 16 s( 0.69%)p58.92( 40.56%)d85.34( 58.75%) 0.0000 -0.0010 0.0811 0.0177 -0.0161 -0.4240 0.0066 0.3054 0.0091 0.3636 0.1718 -0.1541 -0.4018 0.5828 -0.1822 166. (0.00026) RY*( 5) C 16 s( 93.36%)p 0.01( 0.53%)d 0.07( 6.11%) 0.0000 0.0047 0.9645 0.0572 -0.0151 0.0473 0.0065 0.0153 -0.0221 -0.0454 -0.1523 -0.0315 -0.0962 -0.0630 0.1539 167. (0.00010) RY*( 6) C 16 s( 0.61%)p 1.42( 0.87%)d99.99( 98.51%) 0.0000 -0.0012 0.0707 -0.0336 0.0187 -0.0355 0.0304 -0.0737 -0.0015 0.0278 -0.0600 0.5558 0.5297 0.5858 0.2211 168. (0.00002) RY*( 7) C 16 s( 0.30%)p 4.21( 1.25%)d99.99( 98.46%) 169. (0.00002) RY*( 8) C 16 s( 99.75%)p 0.00( 0.08%)d 0.00( 0.17%) 170. (0.00002) RY*( 9) C 16 s( 2.00%)p 0.85( 1.70%)d48.27( 96.30%) 171. (0.00001) RY*(10) C 16 s( 2.72%)p 1.26( 3.42%)d34.47( 93.86%) 172. (0.00626) RY*( 1) C 17 s( 0.85%)p99.99( 95.07%)d 4.81( 4.08%) 0.0000 -0.0115 0.0861 0.0307 -0.0108 -0.2836 -0.0288 -0.8718 0.0090 0.3305 -0.0589 0.1103 0.0674 0.1164 0.0842 173. (0.00365) RY*( 2) C 17 s( 0.14%)p99.99( 99.50%)d 2.61( 0.36%) 0.0000 -0.0009 0.0368 0.0046 0.0356 -0.6442 0.0029 -0.0716 0.0411 -0.7562 0.0326 0.0053 0.0427 0.0154 -0.0210 174. (0.00088) RY*( 3) C 17 s( 0.00%)p 1.00( 6.22%)d15.08( 93.78%) 0.0000 0.0001 0.0047 -0.0034 0.0124 0.1751 -0.0075 -0.1092 -0.0099 -0.1389 -0.2321 0.1434 -0.3670 0.4733 -0.7104 175. (0.00063) RY*( 4) C 17 s( 0.16%)p99.99( 88.35%)d72.64( 11.49%) 0.0000 0.0000 0.0396 0.0037 0.0122 0.6628 -0.0065 -0.4117 -0.0102 -0.5239 0.1735 -0.1344 0.0000 0.0177 0.2577 176. (0.00024) RY*( 5) C 17 s( 94.58%)p 0.01( 0.51%)d 0.05( 4.91%) 0.0000 0.0047 0.9718 0.0383 0.0091 0.0070 0.0239 0.0600 -0.0073 0.0280 -0.0389 -0.1535 -0.0813 -0.1169 -0.0609 177. (0.00012) RY*( 6) C 17 s( 0.56%)p 0.88( 0.49%)d99.99( 98.95%) 0.0000 0.0005 0.0744 -0.0061 -0.0225 0.0429 -0.0005 0.0045 -0.0276 0.0420 0.5878 0.0269 0.6636 0.1583 -0.4218 178. (0.00001) RY*( 7) C 17 s( 2.63%)p 0.85( 2.23%)d36.17( 95.14%) 179. (0.00001) RY*( 8) C 17 s( 99.91%)p 0.00( 0.08%)d 0.00( 0.01%) 180. (0.00001) RY*( 9) C 17 s( 1.12%)p 4.16( 4.66%)d84.15( 94.22%) 181. (0.00001) RY*(10) C 17 s( 0.11%)p29.36( 3.19%)d99.99( 96.70%) 182. (0.00598) RY*( 1) C 18 s( 0.93%)p99.99( 94.78%)d 4.59( 4.28%) 0.0000 -0.0112 0.0904 0.0322 -0.0222 -0.6954 -0.0153 -0.4767 -0.0159 -0.4858 -0.0864 -0.0759 -0.1471 -0.0835 0.0317 183. (0.00343) RY*( 2) C 18 s( 0.00%)p 1.00( 99.66%)d 0.00( 0.34%) 0.0000 0.0000 0.0033 0.0005 0.0031 -0.0539 -0.0416 0.7485 0.0362 -0.6561 -0.0296 0.0276 -0.0047 0.0237 0.0345 184. (0.00082) RY*( 3) C 18 s( 0.00%)p 1.00( 3.94%)d24.39( 96.06%) 0.0000 0.0000 -0.0002 0.0006 0.0047 -0.1377 -0.0029 0.0870 -0.0040 0.1131 0.5363 -0.4163 -0.1133 0.2612 0.6470 185. (0.00065) RY*( 4) C 18 s( 0.01%)p99.99( 91.20%)d99.99( 8.78%) 0.0000 -0.0001 0.0111 0.0037 0.0165 0.6664 -0.0101 -0.4231 -0.0130 -0.5369 0.1179 -0.0967 -0.1348 0.2143 0.0224 186. (0.00019) RY*( 5) C 18 s( 93.61%)p 0.00( 0.26%)d 0.07( 6.13%) 0.0000 0.0054 0.9675 0.0061 0.0191 0.0235 0.0123 0.0237 0.0136 0.0284 0.0397 -0.0012 0.2133 0.1109 -0.0440 187. (0.00012) RY*( 6) C 18 s( 0.02%)p23.30( 0.45%)d99.99( 99.53%) 0.0000 0.0002 0.0136 -0.0029 -0.0016 0.0044 0.0271 -0.0422 -0.0234 0.0373 -0.5149 0.4897 -0.0566 0.4049 0.5686 188. (0.00002) RY*( 7) C 18 s( 0.10%)p14.12( 1.35%)d99.99( 98.56%) 189. (0.00000) RY*( 8) C 18 s( 4.00%)p 1.01( 4.05%)d23.01( 91.96%) 190. (0.00000) RY*( 9) C 18 s( 1.49%)p 3.04( 4.52%)d63.15( 93.99%) 191. (0.00001) RY*(10) C 18 s( 99.90%)p 0.00( 0.10%)d 0.00( 0.00%) 192. (0.00629) RY*( 1) C 19 s( 0.99%)p96.38( 94.94%)d 4.14( 4.08%) 0.0000 -0.0115 0.0931 0.0325 -0.0129 -0.3859 0.0130 0.4046 -0.0263 -0.7973 0.1225 -0.0623 0.0885 -0.0249 -0.1161 193. (0.00367) RY*( 2) C 19 s( 0.19%)p99.99( 99.48%)d 1.79( 0.33%) 0.0000 0.0002 0.0430 0.0042 0.0331 -0.5880 0.0431 -0.7957 0.0062 -0.1137 0.0033 0.0294 0.0383 0.0306 0.0075 194. (0.00087) RY*( 3) C 19 s( 0.01%)p 1.00( 1.69%)d58.31( 98.31%) 0.0000 0.0001 0.0061 -0.0057 -0.0063 0.0896 0.0043 -0.0596 0.0056 -0.0720 0.2719 -0.2479 -0.4992 0.7623 -0.1321 195. (0.00057) RY*( 4) C 19 s( 0.14%)p99.99( 92.49%)d54.11( 7.37%) 0.0000 0.0001 0.0369 0.0006 0.0153 0.6766 -0.0098 -0.4212 -0.0109 -0.5378 -0.1530 0.1103 0.0292 -0.0839 -0.1739 196. (0.00026) RY*( 5) C 19 s( 94.56%)p 0.01( 0.64%)d 0.05( 4.80%) 0.0000 0.0049 0.9718 0.0356 0.0115 0.0183 -0.0095 0.0218 0.0218 0.0702 -0.1529 -0.0498 -0.1085 -0.0167 0.1003 197. (0.00012) RY*( 6) C 19 s( 0.90%)p 0.54( 0.48%)d99.99( 98.61%) 0.0000 0.0008 0.0932 -0.0183 -0.0201 0.0399 -0.0294 0.0440 -0.0020 0.0056 0.0496 0.5183 0.6019 0.5714 0.1621 198. (0.00001) RY*( 7) C 19 s( 0.09%)p18.37( 1.72%)d99.99( 98.18%) 199. (0.00001) RY*( 8) C 19 s( 99.86%)p 0.00( 0.09%)d 0.00( 0.05%) 200. (0.00001) RY*( 9) C 19 s( 2.18%)p 1.52( 3.31%)d43.39( 94.51%) 201. (0.00000) RY*(10) C 19 s( 1.14%)p 4.78( 5.47%)d81.60( 93.39%) 202. (0.00617) RY*( 1) C 20 s( 0.15%)p99.99( 96.42%)d22.57( 3.43%) 0.0000 -0.0065 0.0340 0.0180 0.0119 0.3458 0.0274 0.8877 -0.0064 -0.2360 -0.0513 0.1024 0.0642 0.1042 0.0786 203. (0.00375) RY*( 2) C 20 s( 0.50%)p99.99( 98.75%)d 1.51( 0.75%) 0.0000 -0.0122 0.0660 0.0218 0.0271 -0.6091 0.0015 0.0185 0.0343 -0.7837 -0.0584 0.0168 -0.0426 0.0090 0.0441 204. (0.00088) RY*( 3) C 20 s( 0.00%)p 1.00( 39.38%)d 1.54( 60.62%) 0.0000 0.0004 0.0060 0.0020 0.0138 0.4486 -0.0086 -0.2645 -0.0108 -0.3496 -0.2407 0.1547 -0.2544 0.3113 -0.6022 205. (0.00061) RY*( 4) C 20 s( 0.02%)p99.99( 56.77%)d99.99( 43.21%) 0.0000 0.0002 0.0054 0.0129 0.0022 0.5344 -0.0016 -0.3222 -0.0021 -0.4222 0.0534 -0.0314 0.2678 -0.4183 0.4261 206. (0.00025) RY*( 5) C 20 s( 96.80%)p 0.01( 0.56%)d 0.03( 2.65%) 0.0000 0.0055 0.9827 0.0471 -0.0132 0.0270 -0.0224 -0.0040 0.0028 0.0643 -0.0483 -0.1122 -0.0613 -0.0824 -0.0317 207. (0.00010) RY*( 6) C 20 s( 0.28%)p 3.35( 0.95%)d99.99( 98.77%) 0.0000 -0.0013 0.0513 -0.0140 0.0203 -0.0200 -0.0042 0.0226 0.0296 -0.0851 0.5926 -0.0974 0.6259 0.0339 -0.4838 208. (0.00003) RY*( 7) C 20 s( 11.10%)p 0.30( 3.36%)d 7.71( 85.54%) 209. (0.00001) RY*( 8) C 20 s( 90.29%)p 0.00( 0.20%)d 0.11( 9.51%) 210. (0.00001) RY*( 9) C 20 s( 0.37%)p 8.54( 3.13%)d99.99( 96.50%) 211. (0.00001) RY*(10) C 20 s( 0.54%)p 1.47( 0.79%)d99.99( 98.67%) 212. (0.00110) RY*( 1) H 21 s(100.00%) -0.0022 1.0000 213. (0.00047) RY*( 1) H 22 s(100.00%) -0.0011 1.0000 214. (0.00046) RY*( 1) H 23 s(100.00%) -0.0011 1.0000 215. (0.00048) RY*( 1) H 24 s(100.00%) -0.0011 1.0000 216. (0.00100) RY*( 1) H 25 s(100.00%) -0.0020 1.0000 217. (0.00216) RY*( 1) O 26 s( 2.59%)p36.98( 95.84%)d 0.61( 1.57%) 0.0000 -0.0023 0.1610 -0.0012 0.0005 0.0650 0.0058 0.8678 0.0033 0.4483 -0.0458 -0.0092 -0.0470 -0.0787 -0.0718 218. (0.00159) RY*( 2) O 26 s( 24.00%)p 2.85( 68.33%)d 0.32( 7.67%) 0.0000 0.0020 0.4894 0.0220 -0.0048 -0.7792 0.0009 -0.1537 0.0078 0.2291 -0.0936 0.2499 0.0487 0.0132 -0.0544 219. (0.00043) RY*( 3) O 26 s( 43.11%)p 1.22( 52.70%)d 0.10( 4.19%) 0.0000 -0.0119 0.6346 0.1679 0.0061 0.5600 -0.0012 -0.3268 0.0043 0.3265 -0.0699 0.0158 -0.1429 0.0243 0.1254 220. (0.00007) RY*( 4) O 26 s( 19.22%)p 3.60( 69.28%)d 0.60( 11.49%) 221. (0.00001) RY*( 5) O 26 s( 98.40%)p 0.01( 1.08%)d 0.01( 0.52%) 222. (0.00002) RY*( 6) O 26 s( 2.95%)p 0.24( 0.72%)d32.66( 96.33%) 223. (0.00001) RY*( 7) O 26 s( 7.40%)p 0.83( 6.18%)d11.67( 86.41%) 224. (0.00002) RY*( 8) O 26 s( 0.39%)p 5.66( 2.21%)d99.99( 97.39%) 225. (0.00001) RY*( 9) O 26 s( 0.06%)p13.99( 0.81%)d99.99( 99.13%) 226. (0.00001) RY*(10) O 26 s( 1.90%)p 1.71( 3.25%)d49.98( 94.85%) 227. (0.00108) RY*( 1) H 27 s(100.00%) 0.0031 1.0000 228. (0.00179) RY*( 1) H 28 s(100.00%) -0.0042 1.0000 229. (0.05345) BD*( 1) C 1 - C 2 ( 48.73%) 0.6980* C 1 s( 26.09%)p 2.83( 73.76%)d 0.01( 0.14%) 0.0000 -0.5108 -0.0004 -0.0010 -0.6899 -0.0051 -0.1149 -0.0143 0.4980 -0.0151 -0.0068 0.0315 0.0018 -0.0193 -0.0018 ( 51.27%) -0.7161* C 2 s( 33.42%)p 1.99( 66.45%)d 0.00( 0.14%) -0.0001 -0.5776 -0.0236 -0.0015 0.6193 -0.0170 0.1363 -0.0259 -0.5113 0.0015 -0.0126 0.0291 0.0083 -0.0166 -0.0038 230. (0.03242) BD*( 1) C 1 - C 15 ( 50.88%) 0.7133* C 1 s( 28.62%)p 2.49( 71.26%)d 0.00( 0.12%) 0.0001 0.5350 -0.0059 0.0012 -0.5950 -0.0170 -0.4603 0.0021 -0.3825 0.0073 0.0209 0.0190 0.0190 0.0057 -0.0029 ( 49.12%) -0.7008* C 15 s( 30.48%)p 2.28( 69.41%)d 0.00( 0.10%) 0.0001 0.5520 0.0114 -0.0022 0.5925 -0.0194 0.4093 -0.0089 0.4185 0.0040 0.0198 0.0200 0.0126 0.0074 -0.0038 231. (0.01240) BD*( 1) C 1 - O 26 ( 67.52%) 0.8217* C 1 s( 20.62%)p 3.83( 79.02%)d 0.02( 0.36%) -0.0002 0.4525 -0.0374 -0.0044 0.2652 0.0201 -0.4267 0.0014 0.7323 0.0327 -0.0162 0.0274 -0.0408 -0.0073 0.0301 ( 32.48%) -0.5699* O 26 s( 31.34%)p 2.19( 68.52%)d 0.00( 0.13%) 0.0001 0.5598 0.0027 -0.0007 -0.2812 0.0064 0.3892 -0.0010 -0.6743 0.0014 -0.0177 0.0216 -0.0213 0.0032 0.0085 232. (0.02103) BD*( 1) C 1 - H 28 ( 37.90%) 0.6157* C 1 s( 24.72%)p 3.04( 75.14%)d 0.01( 0.14%) 0.0002 -0.4967 -0.0216 -0.0002 0.3114 -0.0125 -0.7674 0.0256 -0.2541 -0.0138 0.0193 0.0062 -0.0123 0.0219 0.0185 ( 62.10%) -0.7880* H 28 s(100.00%) -1.0000 -0.0042 233. (0.04917) BD*( 1) C 2 - C 3 ( 51.97%) 0.7209* C 2 s( 36.08%)p 1.77( 63.80%)d 0.00( 0.12%) 0.0000 0.6006 0.0058 -0.0006 0.5840 0.0007 -0.5331 0.0029 -0.1127 -0.0046 -0.0302 -0.0010 0.0062 -0.0006 -0.0158 ( 48.03%) -0.6930* C 3 s( 30.49%)p 2.28( 69.40%)d 0.00( 0.10%) -0.0001 0.5522 0.0052 -0.0020 -0.6129 0.0095 0.5485 -0.0024 0.1320 -0.0046 -0.0267 -0.0053 0.0062 0.0034 -0.0159 234. (0.00686) BD*( 1) C 2 - O 14 ( 66.27%) 0.8141* C 2 s( 30.16%)p 2.31( 69.66%)d 0.01( 0.19%) -0.0001 0.5471 -0.0478 -0.0032 0.0603 -0.0045 0.7548 0.0588 -0.3439 -0.0379 0.0060 0.0039 -0.0287 -0.0309 -0.0074 ( 33.73%) -0.5808* O 14 s( 42.59%)p 1.34( 56.98%)d 0.01( 0.43%) 0.0000 0.6526 -0.0046 -0.0030 0.0495 -0.0004 -0.6112 -0.0067 0.4401 0.0048 -0.0017 0.0026 -0.0512 -0.0407 -0.0044 235. (0.09369) BD*( 2) C 2 - O 14 ( 70.81%) 0.8415* C 2 s( 0.24%)p99.99( 99.45%)d 1.33( 0.31%) 0.0000 -0.0487 0.0014 0.0001 0.5177 -0.0298 0.3482 -0.0235 0.7767 -0.0222 0.0263 -0.0150 0.0259 -0.0176 -0.0352 ( 29.19%) -0.5403* O 14 s( 0.36%)p99.99( 99.19%)d 1.26( 0.45%) 0.0000 -0.0599 -0.0006 -0.0010 0.5357 -0.0024 0.4770 -0.0001 0.6909 -0.0008 -0.0315 0.0170 -0.0238 0.0274 0.0439 236. (0.01937) BD*( 1) C 3 - C 4 ( 48.61%) 0.6972* C 3 s( 34.24%)p 1.92( 65.68%)d 0.00( 0.08%) 0.0002 -0.5852 0.0027 -0.0011 -0.6801 -0.0073 -0.2571 -0.0133 0.3577 0.0036 -0.0137 0.0185 0.0069 -0.0136 0.0059 ( 51.39%) -0.7169* C 4 s( 34.13%)p 1.93( 65.78%)d 0.00( 0.09%) 0.0001 -0.5842 0.0082 -0.0012 0.6916 0.0219 0.2403 -0.0131 -0.3478 -0.0074 -0.0147 0.0192 0.0078 -0.0149 0.0071 237. (0.02031) BD*( 1) C 3 - C 8 ( 48.77%) 0.6984* C 3 s( 35.20%)p 1.84( 64.71%)d 0.00( 0.08%) 0.0003 -0.5933 0.0062 -0.0009 0.1030 0.0136 0.7656 0.0097 -0.2238 -0.0067 -0.0069 0.0014 0.0126 0.0216 0.0115 ( 51.23%) -0.7157* C 8 s( 34.15%)p 1.93( 65.76%)d 0.00( 0.09%) 0.0001 -0.5843 0.0085 -0.0009 -0.0702 0.0171 -0.7878 -0.0215 0.1770 -0.0032 -0.0055 0.0016 0.0124 0.0237 0.0131 238. (0.36180) BD*( 2) C 3 - C 8 ( 44.27%) 0.6653* C 3 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) -0.0001 -0.0041 0.0001 -0.0001 -0.3876 0.0068 -0.2132 0.0047 -0.8966 0.0113 0.0055 -0.0036 0.0145 -0.0033 -0.0026 ( 55.73%) -0.7465* C 8 s( 0.01%)p 1.00( 99.91%)d 0.00( 0.08%) 0.0001 0.0074 0.0009 0.0002 -0.3860 0.0063 -0.1744 0.0006 -0.9053 0.0110 -0.0106 -0.0105 -0.0160 -0.0026 0.0181 239. (0.01290) BD*( 1) C 4 - C 5 ( 49.88%) 0.7063* C 4 s( 35.56%)p 1.81( 64.35%)d 0.00( 0.09%) 0.0000 -0.5962 0.0115 -0.0001 -0.6065 -0.0369 0.5038 -0.0136 0.1411 0.0190 0.0251 0.0058 -0.0050 -0.0017 0.0140 ( 50.12%) -0.7079* C 5 s( 35.21%)p 1.84( 64.70%)d 0.00( 0.09%) 0.0001 -0.5933 0.0094 -0.0008 0.5864 0.0001 -0.5320 -0.0428 -0.1350 0.0093 0.0245 0.0076 -0.0059 -0.0049 0.0136 240. (0.29172) BD*( 2) C 4 - C 5 ( 53.54%) 0.7317* C 4 s( 0.00%)p 1.00( 99.91%)d 0.00( 0.09%) 0.0001 -0.0026 0.0011 0.0000 0.3807 -0.0071 0.2028 -0.0042 0.9015 -0.0171 -0.0086 0.0105 -0.0247 0.0096 0.0032 ( 46.46%) -0.6816* C 5 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 0.0000 0.0002 0.0001 0.3825 -0.0104 0.1925 -0.0052 0.9028 -0.0261 -0.0044 -0.0189 0.0032 -0.0102 0.0161 241. (0.01060) BD*( 1) C 4 - H 13 ( 37.18%) 0.6098* C 4 s( 30.26%)p 2.30( 69.65%)d 0.00( 0.10%) 0.0003 -0.5498 -0.0151 0.0009 -0.0780 -0.0017 -0.8032 0.0176 0.2121 -0.0019 -0.0042 0.0015 0.0126 0.0251 0.0132 ( 62.82%) -0.7926* H 13 s(100.00%) -1.0000 -0.0023 242. (0.01429) BD*( 1) C 5 - C 6 ( 50.08%) 0.7076* C 5 s( 34.94%)p 1.86( 64.97%)d 0.00( 0.09%) -0.0001 0.5910 -0.0090 0.0004 -0.0660 0.0300 -0.7783 -0.0322 0.1939 -0.0060 0.0064 -0.0019 -0.0128 -0.0233 -0.0122 ( 49.92%) -0.7066* C 6 s( 35.09%)p 1.85( 64.82%)d 0.00( 0.09%) -0.0001 0.5923 -0.0085 0.0005 0.1053 0.0354 0.7706 0.0174 -0.2032 -0.0185 0.0041 -0.0013 -0.0119 -0.0241 -0.0128 243. (0.01008) BD*( 1) C 5 - H 12 ( 38.27%) 0.6186* C 5 s( 29.81%)p 2.35( 70.09%)d 0.00( 0.10%) 0.0003 -0.5458 -0.0150 0.0009 -0.7093 0.0136 -0.2647 0.0046 0.3570 -0.0068 -0.0146 0.0199 0.0075 -0.0168 0.0075 ( 61.73%) -0.7857* H 12 s(100.00%) -1.0000 -0.0012 244. (0.01405) BD*( 1) C 6 - C 7 ( 49.97%) 0.7069* C 6 s( 35.14%)p 1.84( 64.77%)d 0.00( 0.09%) 0.0001 -0.5927 0.0088 -0.0005 0.6748 0.0086 0.2716 0.0410 -0.3415 -0.0123 -0.0127 0.0190 0.0065 -0.0168 0.0072 ( 50.03%) -0.7073* C 7 s( 35.09%)p 1.85( 64.82%)d 0.00( 0.09%) 0.0001 -0.5923 0.0091 -0.0007 -0.6890 -0.0354 -0.2364 0.0248 0.3400 0.0100 -0.0147 0.0186 0.0075 -0.0151 0.0070 245. (0.32197) BD*( 2) C 6 - C 7 ( 52.65%) 0.7256* C 6 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 -0.0017 -0.0001 -0.0001 0.3808 -0.0103 0.1878 -0.0049 0.9046 -0.0242 -0.0023 -0.0200 0.0083 -0.0114 0.0151 ( 47.35%) -0.6881* C 7 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 0.0014 0.0000 0.0001 0.3816 -0.0104 0.1856 -0.0054 0.9047 -0.0247 0.0106 0.0065 0.0186 0.0001 -0.0148 246. (0.00961) BD*( 1) C 6 - H 11 ( 38.33%) 0.6191* C 6 s( 29.71%)p 2.36( 70.19%)d 0.00( 0.11%) 0.0003 -0.5449 -0.0143 0.0008 -0.6212 0.0123 0.5420 -0.0110 0.1480 -0.0029 0.0269 0.0074 -0.0062 -0.0037 0.0149 ( 61.67%) -0.7853* H 11 s(100.00%) -1.0000 -0.0011 247. (0.01362) BD*( 1) C 7 - C 8 ( 50.25%) 0.7089* C 7 s( 35.14%)p 1.84( 64.77%)d 0.00( 0.09%) -0.0001 0.5927 -0.0095 0.0007 -0.6063 -0.0387 0.5053 -0.0093 0.1511 0.0185 -0.0251 -0.0065 0.0056 0.0020 -0.0140 ( 49.75%) -0.7053* C 8 s( 35.41%)p 1.82( 64.50%)d 0.00( 0.09%) -0.0001 0.5950 -0.0095 0.0002 0.5885 -0.0032 -0.5252 -0.0415 -0.1448 0.0099 -0.0239 -0.0085 0.0061 0.0054 -0.0131 248. (0.00988) BD*( 1) C 7 - H 10 ( 38.33%) 0.6191* C 7 s( 29.72%)p 2.36( 70.18%)d 0.00( 0.10%) -0.0003 0.5449 0.0151 -0.0011 -0.0905 0.0018 -0.8076 0.0152 0.2029 -0.0039 0.0058 -0.0017 -0.0127 -0.0251 -0.0134 ( 61.67%) -0.7853* H 10 s(100.00%) 1.0000 0.0011 249. (0.01128) BD*( 1) C 8 - H 9 ( 37.63%) 0.6134* C 8 s( 30.38%)p 2.29( 69.52%)d 0.00( 0.10%) -0.0003 0.5510 0.0140 -0.0008 -0.7055 0.0190 -0.2649 -0.0017 0.3564 -0.0054 0.0144 -0.0196 -0.0075 0.0170 -0.0081 ( 62.37%) -0.7898* H 9 s(100.00%) 1.0000 0.0017 250. (0.02091) BD*( 1) C 15 - C 16 ( 48.99%) 0.6999* C 15 s( 34.87%)p 1.87( 65.05%)d 0.00( 0.08%) 0.0002 -0.5905 0.0075 -0.0012 0.2374 -0.0043 0.7235 0.0153 -0.2650 -0.0153 -0.0131 0.0050 0.0144 0.0178 0.0095 ( 51.01%) -0.7142* C 16 s( 34.66%)p 1.88( 65.25%)d 0.00( 0.09%) 0.0000 -0.5887 0.0087 -0.0010 -0.2689 -0.0179 -0.7224 -0.0207 0.2397 -0.0109 -0.0142 0.0049 0.0147 0.0181 0.0100 251. (0.35017) BD*( 2) C 15 - C 16 ( 49.92%) 0.7065* C 15 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0001 -0.0006 0.0043 0.0005 0.7000 -0.0160 -0.4368 0.0051 -0.5641 0.0106 -0.0074 0.0064 0.0121 -0.0185 0.0019 ( 50.08%) -0.7077* C 16 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 0.0000 -0.0019 0.0013 0.0003 0.6945 -0.0145 -0.4445 0.0089 -0.5648 0.0114 0.0146 -0.0110 -0.0030 0.0068 0.0177 252. (0.01977) BD*( 1) C 15 - C 20 ( 48.81%) 0.6986* C 15 s( 34.59%)p 1.89( 65.33%)d 0.00( 0.08%) 0.0002 -0.5881 0.0059 -0.0009 0.3176 0.0019 -0.3419 -0.0179 0.6596 0.0122 0.0080 -0.0159 0.0179 0.0008 -0.0145 ( 51.19%) -0.7155* C 20 s( 34.46%)p 1.90( 65.45%)d 0.00( 0.09%) 0.0000 -0.5869 0.0087 -0.0010 -0.3395 -0.0191 0.3143 -0.0096 -0.6631 -0.0185 0.0083 -0.0173 0.0178 0.0004 -0.0149 253. (0.01353) BD*( 1) C 16 - C 17 ( 49.60%) 0.7043* C 16 s( 35.49%)p 1.82( 64.43%)d 0.00( 0.09%) 0.0001 -0.5956 0.0108 -0.0003 0.5732 0.0149 0.4006 0.0400 0.3915 -0.0117 -0.0168 -0.0194 -0.0119 -0.0077 0.0026 ( 50.40%) -0.7099* C 17 s( 35.08%)p 1.85( 64.83%)d 0.00( 0.09%) 0.0001 -0.5922 0.0096 -0.0005 -0.5757 -0.0200 -0.3773 0.0144 -0.4155 -0.0362 -0.0189 -0.0182 -0.0124 -0.0063 0.0044 254. (0.01160) BD*( 1) C 16 - H 25 ( 38.10%) 0.6172* C 16 s( 29.80%)p 2.35( 70.10%)d 0.00( 0.10%) 0.0003 -0.5457 -0.0155 0.0010 -0.3387 0.0122 0.3428 0.0000 -0.6845 0.0120 0.0088 -0.0184 0.0182 0.0002 -0.0160 ( 61.90%) -0.7868* H 25 s(100.00%) -1.0000 -0.0020 255. (0.01407) BD*( 1) C 17 - C 18 ( 49.91%) 0.7065* C 17 s( 35.25%)p 1.83( 64.66%)d 0.00( 0.09%) 0.0001 -0.5937 0.0087 -0.0007 0.3366 0.0315 -0.3112 0.0182 0.6592 0.0248 0.0083 -0.0165 0.0181 0.0009 -0.0147 ( 50.09%) -0.7077* C 18 s( 35.09%)p 1.85( 64.82%)d 0.00( 0.09%) 0.0001 -0.5923 0.0090 -0.0005 -0.3122 0.0105 0.3435 0.0392 -0.6564 -0.0177 0.0081 -0.0181 0.0164 -0.0007 -0.0153 256. (0.32163) BD*( 2) C 17 - C 18 ( 50.24%) 0.7088* C 17 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 -0.0001 0.0004 0.0000 -0.6966 0.0191 0.4417 -0.0122 0.5641 -0.0155 -0.0152 0.0118 0.0048 -0.0097 -0.0166 ( 49.76%) -0.7054* C 18 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 -0.0001 0.0004 0.0001 -0.6969 0.0192 0.4424 -0.0122 0.5631 -0.0158 0.0057 -0.0037 0.0110 -0.0146 0.0198 257. (0.00969) BD*( 1) C 17 - H 24 ( 38.37%) 0.6194* C 17 s( 29.62%)p 2.37( 70.28%)d 0.00( 0.10%) -0.0003 0.5440 0.0150 -0.0010 -0.2596 0.0045 -0.7508 0.0147 0.2673 -0.0061 0.0155 -0.0052 -0.0161 -0.0197 -0.0110 ( 61.63%) -0.7850* H 24 s(100.00%) 1.0000 0.0011 258. (0.01406) BD*( 1) C 18 - C 19 ( 50.00%) 0.7071* C 18 s( 35.02%)p 1.85( 64.89%)d 0.00( 0.09%) -0.0001 0.5917 -0.0086 0.0005 0.2391 -0.0148 0.7193 0.0216 -0.2691 -0.0355 0.0156 -0.0047 -0.0138 -0.0180 -0.0110 ( 50.00%) -0.7071* C 19 s( 35.08%)p 1.85( 64.83%)d 0.00( 0.09%) -0.0001 0.5922 -0.0087 0.0007 -0.2649 -0.0311 -0.7209 -0.0244 0.2375 -0.0194 0.0140 -0.0048 -0.0156 -0.0184 -0.0099 259. (0.00975) BD*( 1) C 18 - H 23 ( 38.33%) 0.6191* C 18 s( 29.84%)p 2.35( 70.06%)d 0.00( 0.10%) 0.0003 -0.5461 -0.0145 0.0007 0.5982 -0.0114 0.4071 -0.0078 0.4205 -0.0078 -0.0193 -0.0200 -0.0133 -0.0075 0.0039 ( 61.67%) -0.7853* H 23 s(100.00%) -1.0000 -0.0011 260. (0.01345) BD*( 1) C 19 - C 20 ( 50.27%) 0.7090* C 19 s( 35.17%)p 1.84( 64.74%)d 0.00( 0.09%) -0.0001 0.5929 -0.0096 0.0007 0.5732 0.0163 0.4038 0.0395 0.3923 -0.0105 0.0173 0.0196 0.0123 0.0075 -0.0026 ( 49.73%) -0.7052* C 20 s( 35.49%)p 1.82( 64.42%)d 0.00( 0.09%) -0.0001 0.5956 -0.0116 0.0001 -0.5728 -0.0179 -0.3795 0.0165 -0.4125 -0.0364 0.0189 0.0172 0.0124 0.0059 -0.0048 261. (0.31094) BD*( 2) C 19 - C 20 ( 50.13%) 0.7080* C 19 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 0.0000 0.0005 0.0002 -0.6969 0.0183 0.4418 -0.0120 0.5636 -0.0150 0.0082 -0.0057 0.0094 -0.0117 0.0216 ( 49.87%) -0.7062* C 20 s( 0.00%)p 1.00( 99.92%)d 0.00( 0.08%) 0.0000 0.0012 -0.0003 -0.0001 -0.6972 0.0151 0.4405 -0.0087 0.5646 -0.0104 0.0092 -0.0081 -0.0134 0.0209 -0.0006 262. (0.00964) BD*( 1) C 19 - H 22 ( 38.25%) 0.6185* C 19 s( 29.70%)p 2.36( 70.19%)d 0.00( 0.10%) -0.0003 0.5448 0.0149 -0.0011 -0.3361 0.0069 0.3444 -0.0069 -0.6856 0.0134 -0.0089 0.0184 -0.0188 -0.0004 0.0160 ( 61.75%) -0.7858* H 22 s(100.00%) 1.0000 0.0011 263. (0.01088) BD*( 1) C 20 - H 21 ( 37.39%) 0.6115* C 20 s( 30.00%)p 2.33( 69.90%)d 0.00( 0.10%) 0.0003 -0.5475 -0.0160 0.0008 -0.2616 0.0110 -0.7492 0.0154 0.2625 0.0014 -0.0160 0.0048 0.0148 0.0191 0.0113 ( 62.61%) -0.7912* H 21 s(100.00%) -1.0000 -0.0022 264. (0.00507) BD*( 1) O 26 - H 27 ( 25.18%) 0.5018* O 26 s( 20.60%)p 3.85( 79.24%)d 0.01( 0.16%) 0.0001 -0.4537 0.0147 -0.0024 0.6136 -0.0058 -0.0210 0.0119 -0.6438 -0.0278 0.0097 0.0292 -0.0062 -0.0236 0.0062 ( 74.82%) -0.8650* H 27 s(100.00%) -1.0000 0.0031 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 1. BD ( 1) C 1 - C 2 127.8 13.0 124.3 10.5 4.0 50.2 190.4 2.9 2. BD ( 1) C 1 - C 15 119.7 215.5 116.1 216.8 3.7 58.9 34.9 1.6 3. BD ( 1) C 1 - O 26 35.1 305.3 33.8 303.8 1.5 -- -- -- 4. BD ( 1) C 1 - H 28 76.4 111.0 71.5 112.0 5.1 -- -- -- 5. BD ( 1) C 2 - C 3 97.3 316.9 98.5 317.8 1.4 81.1 137.9 1.8 6. BD ( 1) C 2 - O 14 119.9 89.6 115.1 86.1 5.8 54.3 274.6 7.1 7. BD ( 2) C 2 - O 14 119.9 89.6 142.2 213.6 84.5 134.0 221.8 85.8 8. BD ( 1) C 3 - C 4 115.7 20.3 116.1 21.5 1.1 64.6 197.7 2.4 9. BD ( 1) C 3 - C 8 75.8 263.7 73.6 261.4 3.0 102.1 86.2 3.3 10. BD ( 2) C 3 - C 8 75.8 263.7 26.1 28.7 91.4 155.0 204.6 89.3 11. BD ( 1) C 4 - C 5 99.9 319.0 101.2 322.7 3.8 81.3 135.6 3.6 12. BD ( 2) C 4 - C 5 99.9 319.0 154.4 208.0 89.8 25.4 26.7 90.3 14. BD ( 1) C 5 - C 6 75.7 263.7 77.0 267.5 3.8 105.5 79.9 3.9 16. BD ( 1) C 6 - C 7 64.9 200.4 64.8 204.6 3.8 114.9 16.3 3.7 17. BD ( 2) C 6 - C 7 64.9 200.4 154.9 206.3 90.1 25.1 25.9 90.1 19. BD ( 1) C 7 - C 8 79.4 139.2 78.2 142.4 3.4 99.4 315.9 3.4 22. BD ( 1) C 15 - C 16 71.8 250.7 70.1 252.5 2.4 106.0 68.9 2.8 23. BD ( 2) C 15 - C 16 71.8 250.7 124.4 327.7 90.1 55.6 147.4 89.8 24. BD ( 1) C 15 - C 20 145.0 134.9 144.4 131.6 2.0 34.6 319.6 2.7 25. BD ( 1) C 16 - C 17 120.2 214.1 117.3 216.8 3.7 57.1 31.3 3.6 27. BD ( 1) C 17 - C 18 145.0 134.8 145.5 141.5 3.8 35.9 308.3 3.9 28. BD ( 2) C 17 - C 18 145.0 134.8 55.6 147.6 90.0 55.7 147.6 90.0 30. BD ( 1) C 18 - C 19 108.3 70.7 111.5 73.2 3.9 74.8 248.3 3.8 32. BD ( 1) C 19 - C 20 59.9 34.3 62.6 36.9 3.6 122.9 211.6 3.7 33. BD ( 2) C 19 - C 20 59.9 34.3 55.7 147.6 90.0 55.5 147.7 90.1 36. BD ( 1) O 26 - H 27 47.1 175.4 42.2 179.1 5.6 -- -- -- 53. LP ( 1) O 14 -- -- 120.0 90.0 -- -- -- -- 54. LP ( 2) O 14 -- -- 118.0 342.2 -- -- -- -- 55. LP ( 1) O 26 -- -- 79.8 332.4 -- -- -- -- 56. LP ( 2) O 26 -- -- 109.6 245.9 -- -- -- -- 238. BD*( 2) C 3 - C 8 75.8 263.7 26.1 28.7 91.4 155.0 204.6 89.3 240. BD*( 2) C 4 - C 5 99.9 319.0 154.4 208.0 89.8 25.4 26.7 90.3 245. BD*( 2) C 6 - C 7 64.9 200.4 154.9 206.3 90.1 25.1 25.9 90.1 251. BD*( 2) C 15 - C 16 71.8 250.7 124.4 327.7 90.1 55.6 147.4 89.8 256. BD*( 2) C 17 - C 18 145.0 134.8 55.6 147.6 90.0 55.7 147.6 90.0 261. BD*( 2) C 19 - C 20 59.9 34.3 55.7 147.6 90.0 55.5 147.7 90.1 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1) C 1 - C 2 / 78. RY*( 2) C 3 3.50 2.23 0.079 1. BD ( 1) C 1 - C 2 /142. RY*( 1) O 14 2.53 2.44 0.071 1. BD ( 1) C 1 - C 2 /153. RY*( 2) C 15 0.70 2.15 0.035 1. BD ( 1) C 1 - C 2 /154. RY*( 3) C 15 1.42 1.89 0.047 1. BD ( 1) C 1 - C 2 /218. RY*( 2) O 26 1.19 2.39 0.048 1. BD ( 1) C 1 - C 2 /230. BD*( 1) C 1 - C 15 1.24 1.50 0.039 1. BD ( 1) C 1 - C 2 /236. BD*( 1) C 3 - C 4 2.30 1.69 0.056 1. BD ( 1) C 1 - C 2 /250. BD*( 1) C 15 - C 16 1.84 1.70 0.050 1. BD ( 1) C 1 - C 2 /251. BD*( 2) C 15 - C 16 2.59 1.02 0.050 1. BD ( 1) C 1 - C 2 /264. BD*( 1) O 26 - H 27 2.50 1.54 0.056 2. BD ( 1) C 1 - C 15 / 69. RY*( 3) C 2 0.59 2.88 0.037 2. BD ( 1) C 1 - C 15 /162. RY*( 1) C 16 2.52 2.31 0.068 2. BD ( 1) C 1 - C 15 /202. RY*( 1) C 20 2.22 2.31 0.064 2. BD ( 1) C 1 - C 15 /217. RY*( 1) O 26 0.83 2.22 0.039 2. BD ( 1) C 1 - C 15 /229. BD*( 1) C 1 - C 2 0.90 1.46 0.033 2. BD ( 1) C 1 - C 15 /232. BD*( 1) C 1 - H 28 0.66 1.54 0.028 2. BD ( 1) C 1 - C 15 /234. BD*( 1) C 2 - O 14 0.98 1.70 0.037 2. BD ( 1) C 1 - C 15 /235. BD*( 2) C 2 - O 14 3.67 1.06 0.057 2. BD ( 1) C 1 - C 15 /250. BD*( 1) C 15 - C 16 2.73 1.69 0.061 2. BD ( 1) C 1 - C 15 /252. BD*( 1) C 15 - C 20 2.46 1.69 0.058 2. BD ( 1) C 1 - C 15 /253. BD*( 1) C 16 - C 17 2.57 1.69 0.059 2. BD ( 1) C 1 - C 15 /260. BD*( 1) C 19 - C 20 2.56 1.70 0.059 3. BD ( 1) C 1 - O 26 /153. RY*( 2) C 15 0.73 2.39 0.037 3. BD ( 1) C 1 - O 26 /234. BD*( 1) C 2 - O 14 1.34 1.94 0.046 3. BD ( 1) C 1 - O 26 /235. BD*( 2) C 2 - O 14 0.99 1.30 0.033 3. BD ( 1) C 1 - O 26 /252. BD*( 1) C 15 - C 20 1.97 1.93 0.055 4. BD ( 1) C 1 - H 28 / 67. RY*( 1) C 2 0.82 1.76 0.034 4. BD ( 1) C 1 - H 28 /153. RY*( 2) C 15 0.53 2.00 0.029 4. BD ( 1) C 1 - H 28 /154. RY*( 3) C 15 0.86 1.75 0.035 4. BD ( 1) C 1 - H 28 /217. RY*( 1) O 26 1.00 2.08 0.041 4. BD ( 1) C 1 - H 28 /230. BD*( 1) C 1 - C 15 0.61 1.36 0.026 4. BD ( 1) C 1 - H 28 /233. BD*( 1) C 2 - C 3 4.66 1.42 0.073 4. BD ( 1) C 1 - H 28 /234. BD*( 1) C 2 - O 14 0.88 1.56 0.033 4. BD ( 1) C 1 - H 28 /235. BD*( 2) C 2 - O 14 1.03 0.92 0.028 4. BD ( 1) C 1 - H 28 /250. BD*( 1) C 15 - C 16 2.33 1.55 0.054 4. BD ( 1) C 1 - H 28 /251. BD*( 2) C 15 - C 16 3.80 0.87 0.056 5. BD ( 1) C 2 - C 3 / 57. RY*( 1) C 1 2.60 2.16 0.067 5. BD ( 1) C 2 - C 3 / 87. RY*( 1) C 4 2.71 2.33 0.071 5. BD ( 1) C 2 - C 3 /127. RY*( 1) C 8 1.97 2.38 0.061 5. BD ( 1) C 2 - C 3 /142. RY*( 1) O 14 1.42 2.47 0.053 5. BD ( 1) C 2 - C 3 /232. BD*( 1) C 1 - H 28 0.67 1.58 0.029 5. BD ( 1) C 2 - C 3 /234. BD*( 1) C 2 - O 14 0.71 1.74 0.031 5. BD ( 1) C 2 - C 3 /236. BD*( 1) C 3 - C 4 2.60 1.73 0.060 5. BD ( 1) C 2 - C 3 /237. BD*( 1) C 3 - C 8 2.97 1.73 0.064 5. BD ( 1) C 2 - C 3 /239. BD*( 1) C 4 - C 5 2.54 1.75 0.060 5. BD ( 1) C 2 - C 3 /247. BD*( 1) C 7 - C 8 2.25 1.74 0.056 6. BD ( 1) C 2 - O 14 / 57. RY*( 1) C 1 0.69 2.63 0.038 6. BD ( 1) C 2 - O 14 / 67. RY*( 1) C 2 1.58 2.41 0.055 6. BD ( 1) C 2 - O 14 / 78. RY*( 2) C 3 0.74 2.74 0.040 6. BD ( 1) C 2 - O 14 /229. BD*( 1) C 1 - C 2 0.60 1.97 0.031 6. BD ( 1) C 2 - O 14 /231. BD*( 1) C 1 - O 26 0.71 1.89 0.033 6. BD ( 1) C 2 - O 14 /233. BD*( 1) C 2 - C 3 1.13 2.07 0.044 6. BD ( 1) C 2 - O 14 /237. BD*( 1) C 3 - C 8 1.60 2.21 0.053 7. BD ( 2) C 2 - O 14 / 79. RY*( 3) C 3 0.82 1.52 0.032 7. BD ( 2) C 2 - O 14 /230. BD*( 1) C 1 - C 15 1.65 1.17 0.039 7. BD ( 2) C 2 - O 14 /231. BD*( 1) C 1 - O 26 1.88 1.06 0.040 7. BD ( 2) C 2 - O 14 /238. BD*( 2) C 3 - C 8 4.68 0.69 0.056 8. BD ( 1) C 3 - C 4 / 67. RY*( 1) C 2 2.35 1.96 0.061 8. BD ( 1) C 3 - C 4 / 97. RY*( 1) C 5 1.27 2.38 0.049 8. BD ( 1) C 3 - C 4 / 98. RY*( 2) C 5 2.26 1.80 0.057 8. BD ( 1) C 3 - C 4 /127. RY*( 1) C 8 0.70 2.41 0.037 8. BD ( 1) C 3 - C 4 /128. RY*( 2) C 8 1.28 1.91 0.044 8. BD ( 1) C 3 - C 4 /229. BD*( 1) C 1 - C 2 2.41 1.53 0.055 8. BD ( 1) C 3 - C 4 /233. BD*( 1) C 2 - C 3 2.55 1.63 0.058 8. BD ( 1) C 3 - C 4 /237. BD*( 1) C 3 - C 8 5.20 1.76 0.086 8. BD ( 1) C 3 - C 4 /239. BD*( 1) C 4 - C 5 3.05 1.78 0.066 8. BD ( 1) C 3 - C 4 /241. BD*( 1) C 4 - H 13 1.46 1.67 0.044 8. BD ( 1) C 3 - C 4 /243. BD*( 1) C 5 - H 12 2.79 1.66 0.061 8. BD ( 1) C 3 - C 4 /249. BD*( 1) C 8 - H 9 2.63 1.68 0.060 9. BD ( 1) C 3 - C 8 / 68. RY*( 2) C 2 1.24 2.31 0.048 9. BD ( 1) C 3 - C 8 / 87. RY*( 1) C 4 1.26 2.36 0.049 9. BD ( 1) C 3 - C 8 /117. RY*( 1) C 7 1.39 2.39 0.052 9. BD ( 1) C 3 - C 8 /118. RY*( 2) C 7 2.17 1.81 0.056 9. BD ( 1) C 3 - C 8 /233. BD*( 1) C 2 - C 3 2.59 1.63 0.058 9. BD ( 1) C 3 - C 8 /234. BD*( 1) C 2 - O 14 1.87 1.77 0.052 9. BD ( 1) C 3 - C 8 /236. BD*( 1) C 3 - C 4 5.23 1.76 0.086 9. BD ( 1) C 3 - C 8 /241. BD*( 1) C 4 - H 13 2.29 1.68 0.056 9. BD ( 1) C 3 - C 8 /247. BD*( 1) C 7 - C 8 3.23 1.78 0.068 9. BD ( 1) C 3 - C 8 /248. BD*( 1) C 7 - H 10 2.63 1.67 0.059 9. BD ( 1) C 3 - C 8 /249. BD*( 1) C 8 - H 9 1.66 1.69 0.047 10. BD ( 2) C 3 - C 8 / 89. RY*( 3) C 4 1.79 2.18 0.061 10. BD ( 2) C 3 - C 8 /120. RY*( 4) C 7 2.50 1.33 0.057 10. BD ( 2) C 3 - C 8 /130. RY*( 4) C 8 0.59 1.66 0.031 10. BD ( 2) C 3 - C 8 /235. BD*( 2) C 2 - O 14 25.96 0.52 0.111 10. BD ( 2) C 3 - C 8 /240. BD*( 2) C 4 - C 5 42.74 0.49 0.132 10. BD ( 2) C 3 - C 8 /245. BD*( 2) C 6 - C 7 35.33 0.48 0.118 11. BD ( 1) C 4 - C 5 / 77. RY*( 1) C 3 1.17 2.49 0.048 11. BD ( 1) C 4 - C 5 / 78. RY*( 2) C 3 2.25 2.31 0.065 11. BD ( 1) C 4 - C 5 /107. RY*( 1) C 6 1.28 2.39 0.050 11. BD ( 1) C 4 - C 5 /108. RY*( 2) C 6 1.97 1.80 0.053 11. BD ( 1) C 4 - C 5 /233. BD*( 1) C 2 - C 3 3.58 1.64 0.069 11. BD ( 1) C 4 - C 5 /236. BD*( 1) C 3 - C 4 3.70 1.77 0.072 11. BD ( 1) C 4 - C 5 /241. BD*( 1) C 4 - H 13 1.66 1.69 0.047 11. BD ( 1) C 4 - C 5 /242. BD*( 1) C 5 - C 6 3.24 1.77 0.068 11. BD ( 1) C 4 - C 5 /243. BD*( 1) C 5 - H 12 1.55 1.67 0.045 11. BD ( 1) C 4 - C 5 /246. BD*( 1) C 6 - H 11 2.70 1.67 0.060 12. BD ( 2) C 4 - C 5 / 79. RY*( 3) C 3 1.17 1.31 0.038 12. BD ( 2) C 4 - C 5 /109. RY*( 3) C 6 0.54 2.52 0.036 12. BD ( 2) C 4 - C 5 /110. RY*( 4) C 6 2.56 1.21 0.055 12. BD ( 2) C 4 - C 5 /238. BD*( 2) C 3 - C 8 37.00 0.48 0.120 12. BD ( 2) C 4 - C 5 /245. BD*( 2) C 6 - C 7 47.40 0.48 0.136 13. BD ( 1) C 4 - H 13 / 77. RY*( 1) C 3 2.00 2.27 0.060 13. BD ( 1) C 4 - H 13 / 97. RY*( 1) C 5 1.69 2.17 0.054 13. BD ( 1) C 4 - H 13 /236. BD*( 1) C 3 - C 4 1.50 1.55 0.043 13. BD ( 1) C 4 - H 13 /237. BD*( 1) C 3 - C 8 5.36 1.55 0.082 13. BD ( 1) C 4 - H 13 /239. BD*( 1) C 4 - C 5 1.44 1.57 0.042 13. BD ( 1) C 4 - H 13 /242. BD*( 1) C 5 - C 6 4.45 1.55 0.074 14. BD ( 1) C 5 - C 6 / 87. RY*( 1) C 4 0.52 2.37 0.031 14. BD ( 1) C 5 - C 6 / 88. RY*( 2) C 4 3.05 1.92 0.068 14. BD ( 1) C 5 - C 6 /117. RY*( 1) C 7 1.37 2.39 0.051 14. BD ( 1) C 5 - C 6 /118. RY*( 2) C 7 1.99 1.81 0.054 14. BD ( 1) C 5 - C 6 /239. BD*( 1) C 4 - C 5 3.28 1.79 0.068 14. BD ( 1) C 5 - C 6 /241. BD*( 1) C 4 - H 13 2.74 1.68 0.061 14. BD ( 1) C 5 - C 6 /243. BD*( 1) C 5 - H 12 1.49 1.67 0.045 14. BD ( 1) C 5 - C 6 /244. BD*( 1) C 6 - C 7 3.12 1.77 0.066 14. BD ( 1) C 5 - C 6 /246. BD*( 1) C 6 - H 11 1.43 1.67 0.044 14. BD ( 1) C 5 - C 6 /248. BD*( 1) C 7 - H 10 2.81 1.67 0.061 15. BD ( 1) C 5 - H 12 / 87. RY*( 1) C 4 1.29 2.15 0.047 15. BD ( 1) C 5 - H 12 / 88. RY*( 2) C 4 0.53 1.70 0.027 15. BD ( 1) C 5 - H 12 /107. RY*( 1) C 6 1.69 2.17 0.054 15. BD ( 1) C 5 - H 12 /236. BD*( 1) C 3 - C 4 4.52 1.55 0.075 15. BD ( 1) C 5 - H 12 /239. BD*( 1) C 4 - C 5 1.35 1.57 0.041 15. BD ( 1) C 5 - H 12 /242. BD*( 1) C 5 - C 6 1.19 1.56 0.038 15. BD ( 1) C 5 - H 12 /244. BD*( 1) C 6 - C 7 4.28 1.56 0.073 16. BD ( 1) C 6 - C 7 / 97. RY*( 1) C 5 1.42 2.39 0.052 16. BD ( 1) C 6 - C 7 / 98. RY*( 2) C 5 1.89 1.81 0.052 16. BD ( 1) C 6 - C 7 /127. RY*( 1) C 8 1.70 2.42 0.058 16. BD ( 1) C 6 - C 7 /128. RY*( 2) C 8 1.70 1.92 0.051 16. BD ( 1) C 6 - C 7 /242. BD*( 1) C 5 - C 6 3.12 1.77 0.066 16. BD ( 1) C 6 - C 7 /243. BD*( 1) C 5 - H 12 2.79 1.67 0.061 16. BD ( 1) C 6 - C 7 /246. BD*( 1) C 6 - H 11 1.45 1.67 0.044 16. BD ( 1) C 6 - C 7 /247. BD*( 1) C 7 - C 8 3.28 1.78 0.068 16. BD ( 1) C 6 - C 7 /248. BD*( 1) C 7 - H 10 1.52 1.67 0.045 16. BD ( 1) C 6 - C 7 /249. BD*( 1) C 8 - H 9 2.67 1.69 0.060 17. BD ( 2) C 6 - C 7 / 99. RY*( 3) C 5 0.79 2.52 0.044 17. BD ( 2) C 6 - C 7 /100. RY*( 4) C 5 1.50 1.24 0.042 17. BD ( 2) C 6 - C 7 /120. RY*( 4) C 7 0.75 1.33 0.031 17. BD ( 2) C 6 - C 7 /130. RY*( 4) C 8 2.53 1.66 0.064 17. BD ( 2) C 6 - C 7 /238. BD*( 2) C 3 - C 8 49.55 0.48 0.139 17. BD ( 2) C 6 - C 7 /240. BD*( 2) C 4 - C 5 34.35 0.50 0.118 18. BD ( 1) C 6 - H 11 / 97. RY*( 1) C 5 1.70 2.18 0.055 18. BD ( 1) C 6 - H 11 /117. RY*( 1) C 7 1.70 2.18 0.055 18. BD ( 1) C 6 - H 11 /239. BD*( 1) C 4 - C 5 4.31 1.58 0.074 18. BD ( 1) C 6 - H 11 /242. BD*( 1) C 5 - C 6 1.16 1.56 0.038 18. BD ( 1) C 6 - H 11 /244. BD*( 1) C 6 - C 7 1.19 1.57 0.039 18. BD ( 1) C 6 - H 11 /247. BD*( 1) C 7 - C 8 4.42 1.57 0.074 19. BD ( 1) C 7 - C 8 / 77. RY*( 1) C 3 2.82 2.49 0.075 19. BD ( 1) C 7 - C 8 / 78. RY*( 2) C 3 0.66 2.30 0.035 19. BD ( 1) C 7 - C 8 /107. RY*( 1) C 6 1.22 2.39 0.048 19. BD ( 1) C 7 - C 8 /108. RY*( 2) C 6 2.06 1.80 0.055 19. BD ( 1) C 7 - C 8 /233. BD*( 1) C 2 - C 3 4.21 1.64 0.075 19. BD ( 1) C 7 - C 8 /237. BD*( 1) C 3 - C 8 3.89 1.77 0.074 19. BD ( 1) C 7 - C 8 /244. BD*( 1) C 6 - C 7 3.26 1.78 0.068 19. BD ( 1) C 7 - C 8 /246. BD*( 1) C 6 - H 11 2.67 1.67 0.060 19. BD ( 1) C 7 - C 8 /248. BD*( 1) C 7 - H 10 1.49 1.67 0.045 19. BD ( 1) C 7 - C 8 /249. BD*( 1) C 8 - H 9 1.76 1.69 0.049 20. BD ( 1) C 7 - H 10 /107. RY*( 1) C 6 1.69 2.17 0.054 20. BD ( 1) C 7 - H 10 /127. RY*( 1) C 8 1.68 2.21 0.054 20. BD ( 1) C 7 - H 10 /237. BD*( 1) C 3 - C 8 4.60 1.56 0.076 20. BD ( 1) C 7 - H 10 /242. BD*( 1) C 5 - C 6 4.32 1.56 0.073 20. BD ( 1) C 7 - H 10 /244. BD*( 1) C 6 - C 7 1.21 1.56 0.039 20. BD ( 1) C 7 - H 10 /247. BD*( 1) C 7 - C 8 1.29 1.57 0.040 21. BD ( 1) C 8 - H 9 / 77. RY*( 1) C 3 2.13 2.28 0.062 21. BD ( 1) C 8 - H 9 /117. RY*( 1) C 7 1.87 2.18 0.057 21. BD ( 1) C 8 - H 9 /236. BD*( 1) C 3 - C 4 5.09 1.56 0.080 21. BD ( 1) C 8 - H 9 /237. BD*( 1) C 3 - C 8 1.63 1.56 0.045 21. BD ( 1) C 8 - H 9 /244. BD*( 1) C 6 - C 7 4.39 1.56 0.074 21. BD ( 1) C 8 - H 9 /247. BD*( 1) C 7 - C 8 1.52 1.57 0.044 22. BD ( 1) C 15 - C 16 / 57. RY*( 1) C 1 1.90 2.21 0.058 22. BD ( 1) C 15 - C 16 /172. RY*( 1) C 17 1.49 2.39 0.053 22. BD ( 1) C 15 - C 16 /173. RY*( 2) C 17 2.07 1.81 0.055 22. BD ( 1) C 15 - C 16 /202. RY*( 1) C 20 0.98 2.39 0.043 22. BD ( 1) C 15 - C 16 /203. RY*( 2) C 20 0.92 1.89 0.037 22. BD ( 1) C 15 - C 16 /229. BD*( 1) C 1 - C 2 0.53 1.55 0.026 22. BD ( 1) C 15 - C 16 /230. BD*( 1) C 1 - C 15 2.43 1.58 0.055 22. BD ( 1) C 15 - C 16 /252. BD*( 1) C 15 - C 20 5.09 1.77 0.085 22. BD ( 1) C 15 - C 16 /253. BD*( 1) C 16 - C 17 3.58 1.78 0.071 22. BD ( 1) C 15 - C 16 /254. BD*( 1) C 16 - H 25 1.66 1.66 0.047 22. BD ( 1) C 15 - C 16 /257. BD*( 1) C 17 - H 24 2.50 1.67 0.058 22. BD ( 1) C 15 - C 16 /263. BD*( 1) C 20 - H 21 2.46 1.68 0.058 23. BD ( 2) C 15 - C 16 /165. RY*( 4) C 16 0.58 2.01 0.033 23. BD ( 2) C 15 - C 16 /174. RY*( 3) C 17 1.07 2.47 0.050 23. BD ( 2) C 15 - C 16 /175. RY*( 4) C 17 1.26 1.30 0.039 23. BD ( 2) C 15 - C 16 /204. RY*( 3) C 20 1.93 2.01 0.061 23. BD ( 2) C 15 - C 16 /229. BD*( 1) C 1 - C 2 3.48 0.94 0.055 23. BD ( 2) C 15 - C 16 /232. BD*( 1) C 1 - H 28 2.91 1.02 0.053 23. BD ( 2) C 15 - C 16 /235. BD*( 2) C 2 - O 14 0.95 0.54 0.021 23. BD ( 2) C 15 - C 16 /249. BD*( 1) C 8 - H 9 0.65 1.09 0.026 23. BD ( 2) C 15 - C 16 /256. BD*( 2) C 17 - C 18 41.37 0.50 0.128 23. BD ( 2) C 15 - C 16 /261. BD*( 2) C 19 - C 20 38.64 0.50 0.124 24. BD ( 1) C 15 - C 20 / 57. RY*( 1) C 1 1.81 2.20 0.057 24. BD ( 1) C 15 - C 20 /162. RY*( 1) C 16 1.09 2.39 0.046 24. BD ( 1) C 15 - C 20 /163. RY*( 2) C 16 0.80 1.88 0.035 24. BD ( 1) C 15 - C 20 /192. RY*( 1) C 19 1.41 2.39 0.052 24. BD ( 1) C 15 - C 20 /193. RY*( 2) C 19 2.21 1.81 0.057 24. BD ( 1) C 15 - C 20 /230. BD*( 1) C 1 - C 15 2.14 1.58 0.052 24. BD ( 1) C 15 - C 20 /231. BD*( 1) C 1 - O 26 1.94 1.46 0.048 24. BD ( 1) C 15 - C 20 /250. BD*( 1) C 15 - C 16 5.12 1.77 0.085 24. BD ( 1) C 15 - C 20 /254. BD*( 1) C 16 - H 25 2.70 1.66 0.060 24. BD ( 1) C 15 - C 20 /260. BD*( 1) C 19 - C 20 3.39 1.78 0.070 24. BD ( 1) C 15 - C 20 /262. BD*( 1) C 19 - H 22 2.55 1.67 0.058 24. BD ( 1) C 15 - C 20 /263. BD*( 1) C 20 - H 21 1.50 1.67 0.045 25. BD ( 1) C 16 - C 17 /152. RY*( 1) C 15 2.21 2.44 0.066 25. BD ( 1) C 16 - C 17 /153. RY*( 2) C 15 1.39 2.22 0.050 25. BD ( 1) C 16 - C 17 /182. RY*( 1) C 18 1.27 2.39 0.049 25. BD ( 1) C 16 - C 17 /183. RY*( 2) C 18 1.98 1.80 0.054 25. BD ( 1) C 16 - C 17 /230. BD*( 1) C 1 - C 15 4.18 1.58 0.073 25. BD ( 1) C 16 - C 17 /250. BD*( 1) C 15 - C 16 4.30 1.77 0.078 25. BD ( 1) C 16 - C 17 /254. BD*( 1) C 16 - H 25 1.72 1.66 0.048 25. BD ( 1) C 16 - C 17 /255. BD*( 1) C 17 - C 18 3.27 1.78 0.068 25. BD ( 1) C 16 - C 17 /257. BD*( 1) C 17 - H 24 1.45 1.67 0.044 25. BD ( 1) C 16 - C 17 /259. BD*( 1) C 18 - H 23 2.72 1.67 0.060 26. BD ( 1) C 16 - H 25 /152. RY*( 1) C 15 2.23 2.24 0.063 26. BD ( 1) C 16 - H 25 /172. RY*( 1) C 17 1.81 2.18 0.056 26. BD ( 1) C 16 - H 25 /250. BD*( 1) C 15 - C 16 1.75 1.56 0.047 26. BD ( 1) C 16 - H 25 /252. BD*( 1) C 15 - C 20 5.12 1.56 0.080 26. BD ( 1) C 16 - H 25 /253. BD*( 1) C 16 - C 17 1.38 1.57 0.041 26. BD ( 1) C 16 - H 25 /255. BD*( 1) C 17 - C 18 4.18 1.57 0.072 27. BD ( 1) C 17 - C 18 /162. RY*( 1) C 16 0.90 2.39 0.041 27. BD ( 1) C 17 - C 18 /163. RY*( 2) C 16 2.52 1.88 0.062 27. BD ( 1) C 17 - C 18 /192. RY*( 1) C 19 1.33 2.39 0.050 27. BD ( 1) C 17 - C 18 /193. RY*( 2) C 19 2.02 1.81 0.054 27. BD ( 1) C 17 - C 18 /253. BD*( 1) C 16 - C 17 3.36 1.78 0.069 27. BD ( 1) C 17 - C 18 /254. BD*( 1) C 16 - H 25 2.81 1.66 0.061 27. BD ( 1) C 17 - C 18 /257. BD*( 1) C 17 - H 24 1.52 1.67 0.045 27. BD ( 1) C 17 - C 18 /258. BD*( 1) C 18 - C 19 3.16 1.77 0.067 27. BD ( 1) C 17 - C 18 /259. BD*( 1) C 18 - H 23 1.52 1.67 0.045 27. BD ( 1) C 17 - C 18 /262. BD*( 1) C 19 - H 22 2.76 1.67 0.061 28. BD ( 2) C 17 - C 18 /165. RY*( 4) C 16 1.96 2.00 0.061 28. BD ( 2) C 17 - C 18 /185. RY*( 4) C 18 0.54 1.25 0.026 28. BD ( 2) C 17 - C 18 /195. RY*( 4) C 19 2.49 1.23 0.054 28. BD ( 2) C 17 - C 18 /251. BD*( 2) C 15 - C 16 41.59 0.48 0.127 28. BD ( 2) C 17 - C 18 /261. BD*( 2) C 19 - C 20 41.30 0.49 0.128 29. BD ( 1) C 17 - H 24 /162. RY*( 1) C 16 1.43 2.18 0.050 29. BD ( 1) C 17 - H 24 /182. RY*( 1) C 18 1.70 2.18 0.054 29. BD ( 1) C 17 - H 24 /250. BD*( 1) C 15 - C 16 4.62 1.56 0.076 29. BD ( 1) C 17 - H 24 /253. BD*( 1) C 16 - C 17 1.23 1.56 0.039 29. BD ( 1) C 17 - H 24 /255. BD*( 1) C 17 - C 18 1.23 1.56 0.039 29. BD ( 1) C 17 - H 24 /258. BD*( 1) C 18 - C 19 4.31 1.56 0.073 30. BD ( 1) C 18 - C 19 /172. RY*( 1) C 17 1.27 2.38 0.049 30. BD ( 1) C 18 - C 19 /173. RY*( 2) C 17 2.11 1.80 0.055 30. BD ( 1) C 18 - C 19 /202. RY*( 1) C 20 1.21 2.39 0.048 30. BD ( 1) C 18 - C 19 /203. RY*( 2) C 20 2.17 1.88 0.057 30. BD ( 1) C 18 - C 19 /255. BD*( 1) C 17 - C 18 3.17 1.77 0.067 30. BD ( 1) C 18 - C 19 /257. BD*( 1) C 17 - H 24 2.84 1.66 0.061 30. BD ( 1) C 18 - C 19 /259. BD*( 1) C 18 - H 23 1.49 1.67 0.045 30. BD ( 1) C 18 - C 19 /260. BD*( 1) C 19 - C 20 3.28 1.78 0.068 30. BD ( 1) C 18 - C 19 /262. BD*( 1) C 19 - H 22 1.47 1.67 0.044 30. BD ( 1) C 18 - C 19 /263. BD*( 1) C 20 - H 21 2.75 1.68 0.061 31. BD ( 1) C 18 - H 23 /172. RY*( 1) C 17 1.70 2.17 0.054 31. BD ( 1) C 18 - H 23 /192. RY*( 1) C 19 1.70 2.18 0.054 31. BD ( 1) C 18 - H 23 /253. BD*( 1) C 16 - C 17 4.39 1.56 0.074 31. BD ( 1) C 18 - H 23 /255. BD*( 1) C 17 - C 18 1.26 1.56 0.040 31. BD ( 1) C 18 - H 23 /258. BD*( 1) C 18 - C 19 1.22 1.56 0.039 31. BD ( 1) C 18 - H 23 /260. BD*( 1) C 19 - C 20 4.30 1.57 0.073 32. BD ( 1) C 19 - C 20 /152. RY*( 1) C 15 1.55 2.44 0.055 32. BD ( 1) C 19 - C 20 /153. RY*( 2) C 15 2.26 2.22 0.064 32. BD ( 1) C 19 - C 20 /182. RY*( 1) C 18 1.25 2.39 0.049 32. BD ( 1) C 19 - C 20 /183. RY*( 2) C 18 2.00 1.80 0.054 32. BD ( 1) C 19 - C 20 /230. BD*( 1) C 1 - C 15 3.96 1.58 0.071 32. BD ( 1) C 19 - C 20 /252. BD*( 1) C 15 - C 20 4.07 1.77 0.076 32. BD ( 1) C 19 - C 20 /258. BD*( 1) C 18 - C 19 3.22 1.77 0.068 32. BD ( 1) C 19 - C 20 /259. BD*( 1) C 18 - H 23 2.73 1.67 0.060 32. BD ( 1) C 19 - C 20 /262. BD*( 1) C 19 - H 22 1.48 1.67 0.044 32. BD ( 1) C 19 - C 20 /263. BD*( 1) C 20 - H 21 1.70 1.68 0.048 33. BD ( 2) C 19 - C 20 /154. RY*( 3) C 15 0.88 1.36 0.034 33. BD ( 2) C 19 - C 20 /155. RY*( 4) C 15 0.54 2.54 0.036 33. BD ( 2) C 19 - C 20 /185. RY*( 4) C 18 2.62 1.25 0.056 33. BD ( 2) C 19 - C 20 /204. RY*( 3) C 20 0.63 2.01 0.035 33. BD ( 2) C 19 - C 20 /251. BD*( 2) C 15 - C 16 43.74 0.48 0.130 33. BD ( 2) C 19 - C 20 /256. BD*( 2) C 17 - C 18 41.10 0.49 0.127 34. BD ( 1) C 19 - H 22 /182. RY*( 1) C 18 1.67 2.17 0.054 34. BD ( 1) C 19 - H 22 /202. RY*( 1) C 20 1.53 2.17 0.052 34. BD ( 1) C 19 - H 22 /252. BD*( 1) C 15 - C 20 4.62 1.56 0.076 34. BD ( 1) C 19 - H 22 /255. BD*( 1) C 17 - C 18 4.31 1.56 0.073 34. BD ( 1) C 19 - H 22 /258. BD*( 1) C 18 - C 19 1.18 1.56 0.038 34. BD ( 1) C 19 - H 22 /260. BD*( 1) C 19 - C 20 1.28 1.57 0.040 35. BD ( 1) C 20 - H 21 /152. RY*( 1) C 15 2.18 2.23 0.062 35. BD ( 1) C 20 - H 21 /192. RY*( 1) C 19 1.81 2.17 0.056 35. BD ( 1) C 20 - H 21 /250. BD*( 1) C 15 - C 16 5.22 1.56 0.081 35. BD ( 1) C 20 - H 21 /252. BD*( 1) C 15 - C 20 1.55 1.55 0.044 35. BD ( 1) C 20 - H 21 /258. BD*( 1) C 18 - C 19 4.33 1.56 0.073 35. BD ( 1) C 20 - H 21 /260. BD*( 1) C 19 - C 20 1.48 1.56 0.043 36. BD ( 1) O 26 - H 27 / 57. RY*( 1) C 1 0.73 2.22 0.036 36. BD ( 1) O 26 - H 27 / 60. RY*( 4) C 1 0.55 2.79 0.035 36. BD ( 1) O 26 - H 27 / 61. RY*( 5) C 1 0.58 3.01 0.037 36. BD ( 1) O 26 - H 27 /229. BD*( 1) C 1 - C 2 4.16 1.56 0.073 37. CR ( 1) C 1 / 68. RY*( 2) C 2 0.87 12.56 0.093 37. CR ( 1) C 1 /152. RY*( 1) C 15 0.93 12.70 0.097 37. CR ( 1) C 1 /231. BD*( 1) C 1 - O 26 1.43 11.72 0.116 37. CR ( 1) C 1 /233. BD*( 1) C 2 - C 3 0.70 11.89 0.082 37. CR ( 1) C 1 /250. BD*( 1) C 15 - C 16 0.76 12.03 0.086 37. CR ( 1) C 1 /252. BD*( 1) C 15 - C 20 0.65 12.03 0.079 38. CR ( 1) C 2 / 58. RY*( 2) C 1 0.76 12.50 0.087 38. CR ( 1) C 2 / 77. RY*( 1) C 3 0.89 12.78 0.096 38. CR ( 1) C 2 /236. BD*( 1) C 3 - C 4 0.61 12.05 0.077 38. CR ( 1) C 2 /237. BD*( 1) C 3 - C 8 0.91 12.06 0.094 39. CR ( 1) C 3 / 68. RY*( 2) C 2 0.85 12.47 0.092 39. CR ( 1) C 3 / 88. RY*( 2) C 4 1.89 12.08 0.135 39. CR ( 1) C 3 /128. RY*( 2) C 8 1.52 12.09 0.121 39. CR ( 1) C 3 /229. BD*( 1) C 1 - C 2 0.67 11.71 0.080 39. CR ( 1) C 3 /234. BD*( 1) C 2 - O 14 0.53 11.94 0.071 39. CR ( 1) C 3 /239. BD*( 1) C 4 - C 5 0.74 11.95 0.084 39. CR ( 1) C 3 /241. BD*( 1) C 4 - H 13 0.66 11.85 0.079 39. CR ( 1) C 3 /247. BD*( 1) C 7 - C 8 0.70 11.95 0.082 39. CR ( 1) C 3 /249. BD*( 1) C 8 - H 9 0.76 11.86 0.085 40. CR ( 1) C 4 / 77. RY*( 1) C 3 0.98 12.66 0.100 40. CR ( 1) C 4 / 78. RY*( 2) C 3 0.81 12.47 0.090 40. CR ( 1) C 4 / 98. RY*( 2) C 5 1.87 11.98 0.134 40. CR ( 1) C 4 /141. RY*( 1) H 13 0.61 11.82 0.076 40. CR ( 1) C 4 /233. BD*( 1) C 2 - C 3 0.90 11.80 0.093 40. CR ( 1) C 4 /237. BD*( 1) C 3 - C 8 1.11 11.94 0.103 40. CR ( 1) C 4 /242. BD*( 1) C 5 - C 6 0.84 11.94 0.090 40. CR ( 1) C 4 /243. BD*( 1) C 5 - H 12 0.75 11.84 0.084 41. CR ( 1) C 5 / 87. RY*( 1) C 4 0.83 12.53 0.091 41. CR ( 1) C 5 / 88. RY*( 2) C 4 1.07 12.08 0.102 41. CR ( 1) C 5 / 91. RY*( 5) C 4 0.63 12.50 0.079 41. CR ( 1) C 5 /108. RY*( 2) C 6 1.87 11.96 0.133 41. CR ( 1) C 5 /140. RY*( 1) H 12 0.50 11.79 0.069 41. CR ( 1) C 5 /236. BD*( 1) C 3 - C 4 0.89 11.93 0.093 41. CR ( 1) C 5 /241. BD*( 1) C 4 - H 13 0.78 11.85 0.086 41. CR ( 1) C 5 /244. BD*( 1) C 6 - C 7 0.80 11.94 0.088 41. CR ( 1) C 5 /246. BD*( 1) C 6 - H 11 0.76 11.83 0.085 42. CR ( 1) C 6 / 98. RY*( 2) C 5 1.80 11.99 0.131 42. CR ( 1) C 6 /118. RY*( 2) C 7 1.79 11.99 0.131 42. CR ( 1) C 6 /139. RY*( 1) H 11 0.51 11.80 0.069 42. CR ( 1) C 6 /239. BD*( 1) C 4 - C 5 0.81 11.96 0.088 42. CR ( 1) C 6 /243. BD*( 1) C 5 - H 12 0.75 11.84 0.084 42. CR ( 1) C 6 /247. BD*( 1) C 7 - C 8 0.84 11.96 0.090 42. CR ( 1) C 6 /248. BD*( 1) C 7 - H 10 0.75 11.84 0.084 43. CR ( 1) C 7 /108. RY*( 2) C 6 1.87 11.96 0.134 43. CR ( 1) C 7 /128. RY*( 2) C 8 1.72 12.09 0.129 43. CR ( 1) C 7 /131. RY*( 5) C 8 0.57 12.54 0.076 43. CR ( 1) C 7 /237. BD*( 1) C 3 - C 8 0.92 11.94 0.094 43. CR ( 1) C 7 /242. BD*( 1) C 5 - C 6 0.81 11.94 0.088 43. CR ( 1) C 7 /246. BD*( 1) C 6 - H 11 0.76 11.83 0.085 43. CR ( 1) C 7 /249. BD*( 1) C 8 - H 9 0.77 11.86 0.085 44. CR ( 1) C 8 / 78. RY*( 2) C 3 2.07 12.47 0.144 44. CR ( 1) C 8 /118. RY*( 2) C 7 1.89 11.98 0.134 44. CR ( 1) C 8 /137. RY*( 1) H 9 0.67 11.99 0.080 44. CR ( 1) C 8 /233. BD*( 1) C 2 - C 3 1.09 11.81 0.103 44. CR ( 1) C 8 /236. BD*( 1) C 3 - C 4 1.03 11.94 0.099 44. CR ( 1) C 8 /244. BD*( 1) C 6 - C 7 0.85 11.94 0.090 44. CR ( 1) C 8 /248. BD*( 1) C 7 - H 10 0.72 11.84 0.082 45. CR ( 1) O 14 / 67. RY*( 1) C 2 6.27 21.34 0.328 45. CR ( 1) O 14 /229. BD*( 1) C 1 - C 2 0.55 20.91 0.097 45. CR ( 1) O 14 /233. BD*( 1) C 2 - C 3 0.69 21.00 0.109 46. CR ( 1) C 15 / 58. RY*( 2) C 1 0.66 12.39 0.081 46. CR ( 1) C 15 / 62. RY*( 6) C 1 0.65 12.79 0.081 46. CR ( 1) C 15 /163. RY*( 2) C 16 1.85 12.05 0.133 46. CR ( 1) C 15 /203. RY*( 2) C 20 1.70 12.05 0.128 46. CR ( 1) C 15 /250. BD*( 1) C 15 - C 16 0.50 11.95 0.070 46. CR ( 1) C 15 /253. BD*( 1) C 16 - C 17 0.77 11.95 0.086 46. CR ( 1) C 15 /254. BD*( 1) C 16 - H 25 0.76 11.83 0.085 46. CR ( 1) C 15 /260. BD*( 1) C 19 - C 20 0.73 11.96 0.083 46. CR ( 1) C 15 /263. BD*( 1) C 20 - H 21 0.70 11.85 0.081 47. CR ( 1) C 16 /153. RY*( 2) C 15 1.76 12.39 0.132 47. CR ( 1) C 16 /173. RY*( 2) C 17 1.94 11.97 0.136 47. CR ( 1) C 16 /216. RY*( 1) H 25 0.54 11.85 0.071 47. CR ( 1) C 16 /230. BD*( 1) C 1 - C 15 1.07 11.74 0.101 47. CR ( 1) C 16 /250. BD*( 1) C 15 - C 16 0.58 11.94 0.075 47. CR ( 1) C 16 /252. BD*( 1) C 15 - C 20 1.06 11.94 0.101 47. CR ( 1) C 16 /255. BD*( 1) C 17 - C 18 0.83 11.94 0.089 47. CR ( 1) C 16 /257. BD*( 1) C 17 - H 24 0.72 11.83 0.083 48. CR ( 1) C 17 /162. RY*( 1) C 16 0.54 12.56 0.074 48. CR ( 1) C 17 /163. RY*( 2) C 16 1.40 12.05 0.116 48. CR ( 1) C 17 /166. RY*( 5) C 16 0.53 12.50 0.073 48. CR ( 1) C 17 /183. RY*( 2) C 18 1.87 11.97 0.134 48. CR ( 1) C 17 /215. RY*( 1) H 24 0.50 11.79 0.069 48. CR ( 1) C 17 /250. BD*( 1) C 15 - C 16 0.94 11.94 0.095 48. CR ( 1) C 17 /254. BD*( 1) C 16 - H 25 0.80 11.83 0.087 48. CR ( 1) C 17 /258. BD*( 1) C 18 - C 19 0.81 11.94 0.088 48. CR ( 1) C 17 /259. BD*( 1) C 18 - H 23 0.77 11.84 0.085 49. CR ( 1) C 18 /173. RY*( 2) C 17 1.77 11.97 0.130 49. CR ( 1) C 18 /193. RY*( 2) C 19 1.78 11.98 0.130 49. CR ( 1) C 18 /214. RY*( 1) H 23 0.51 11.79 0.069 49. CR ( 1) C 18 /253. BD*( 1) C 16 - C 17 0.84 11.94 0.090 49. CR ( 1) C 18 /257. BD*( 1) C 17 - H 24 0.77 11.83 0.085 49. CR ( 1) C 18 /260. BD*( 1) C 19 - C 20 0.82 11.95 0.089 49. CR ( 1) C 18 /262. BD*( 1) C 19 - H 22 0.75 11.84 0.084 50. CR ( 1) C 19 /183. RY*( 2) C 18 1.83 11.97 0.132 50. CR ( 1) C 19 /203. RY*( 2) C 20 1.49 12.05 0.120 50. CR ( 1) C 19 /206. RY*( 5) C 20 0.62 12.47 0.078 50. CR ( 1) C 19 /213. RY*( 1) H 22 0.51 11.80 0.069 50. CR ( 1) C 19 /252. BD*( 1) C 15 - C 20 0.93 11.94 0.094 50. CR ( 1) C 19 /255. BD*( 1) C 17 - C 18 0.80 11.94 0.088 50. CR ( 1) C 19 /259. BD*( 1) C 18 - H 23 0.76 11.84 0.085 50. CR ( 1) C 19 /263. BD*( 1) C 20 - H 21 0.78 11.85 0.086 51. CR ( 1) C 20 /152. RY*( 1) C 15 0.75 12.61 0.087 51. CR ( 1) C 20 /153. RY*( 2) C 15 1.83 12.38 0.135 51. CR ( 1) C 20 /193. RY*( 2) C 19 1.95 11.97 0.136 51. CR ( 1) C 20 /212. RY*( 1) H 21 0.60 11.84 0.075 51. CR ( 1) C 20 /230. BD*( 1) C 1 - C 15 1.00 11.74 0.097 51. CR ( 1) C 20 /250. BD*( 1) C 15 - C 16 1.07 11.94 0.101 51. CR ( 1) C 20 /252. BD*( 1) C 15 - C 20 0.53 11.93 0.071 51. CR ( 1) C 20 /258. BD*( 1) C 18 - C 19 0.84 11.94 0.090 51. CR ( 1) C 20 /262. BD*( 1) C 19 - H 22 0.73 11.83 0.083 52. CR ( 1) O 26 / 57. RY*( 1) C 1 1.39 21.68 0.155 52. CR ( 1) O 26 / 58. RY*( 2) C 1 0.55 21.69 0.098 53. LP ( 1) O 14 / 67. RY*( 1) C 2 18.89 2.00 0.173 53. LP ( 1) O 14 /229. BD*( 1) C 1 - C 2 1.93 1.56 0.049 53. LP ( 1) O 14 /233. BD*( 1) C 2 - C 3 2.41 1.66 0.057 54. LP ( 2) O 14 / 69. RY*( 3) C 2 2.56 2.49 0.073 54. LP ( 2) O 14 / 70. RY*( 4) C 2 1.60 2.26 0.055 54. LP ( 2) O 14 /229. BD*( 1) C 1 - C 2 23.44 1.07 0.142 54. LP ( 2) O 14 /231. BD*( 1) C 1 - O 26 1.34 0.99 0.033 54. LP ( 2) O 14 /233. BD*( 1) C 2 - C 3 22.33 1.16 0.145 55. LP ( 1) O 26 / 57. RY*( 1) C 1 1.18 2.15 0.045 55. LP ( 1) O 26 / 58. RY*( 2) C 1 1.75 2.16 0.055 55. LP ( 1) O 26 /229. BD*( 1) C 1 - C 2 1.55 1.49 0.043 55. LP ( 1) O 26 /230. BD*( 1) C 1 - C 15 1.20 1.52 0.038 55. LP ( 1) O 26 /232. BD*( 1) C 1 - H 28 2.12 1.57 0.052 56. LP ( 2) O 26 / 59. RY*( 3) C 1 1.26 2.70 0.052 56. LP ( 2) O 26 / 62. RY*( 6) C 1 0.63 2.21 0.034 56. LP ( 2) O 26 /230. BD*( 1) C 1 - C 15 9.59 1.17 0.095 56. LP ( 2) O 26 /232. BD*( 1) C 1 - H 28 5.43 1.21 0.073 56. LP ( 2) O 26 /252. BD*( 1) C 15 - C 20 0.52 1.36 0.024 238. BD*( 2) C 3 - C 8 / 79. RY*( 3) C 3 1.26 0.83 0.068 238. BD*( 2) C 3 - C 8 / 80. RY*( 4) C 3 0.65 2.03 0.076 238. BD*( 2) C 3 - C 8 / 89. RY*( 3) C 4 0.51 1.69 0.062 238. BD*( 2) C 3 - C 8 /120. RY*( 4) C 7 1.03 0.84 0.062 238. BD*( 2) C 3 - C 8 /129. RY*( 3) C 8 2.05 1.61 0.120 238. BD*( 2) C 3 - C 8 /130. RY*( 4) C 8 0.79 1.18 0.064 238. BD*( 2) C 3 - C 8 /235. BD*( 2) C 2 - O 14 67.48 0.04 0.097 238. BD*( 2) C 3 - C 8 /240. BD*( 2) C 4 - C 5 551.59 0.01 0.123 240. BD*( 2) C 4 - C 5 / 90. RY*( 4) C 4 3.34 1.07 0.140 240. BD*( 2) C 4 - C 5 /100. RY*( 4) C 5 3.89 0.74 0.126 240. BD*( 2) C 4 - C 5 /110. RY*( 4) C 6 0.55 0.71 0.046 245. BD*( 2) C 6 - C 7 /109. RY*( 3) C 6 0.61 2.04 0.078 245. BD*( 2) C 6 - C 7 /110. RY*( 4) C 6 3.40 0.72 0.110 245. BD*( 2) C 6 - C 7 /119. RY*( 3) C 7 0.96 1.94 0.096 245. BD*( 2) C 6 - C 7 /120. RY*( 4) C 7 1.97 0.84 0.091 245. BD*( 2) C 6 - C 7 /130. RY*( 4) C 8 0.66 1.18 0.062 245. BD*( 2) C 6 - C 7 /240. BD*( 2) C 4 - C 5 551.28 0.01 0.122 251. BD*( 2) C 15 - C 16 /154. RY*( 3) C 15 0.98 0.87 0.062 251. BD*( 2) C 15 - C 16 /155. RY*( 4) C 15 0.62 2.06 0.076 251. BD*( 2) C 15 - C 16 /158. RY*( 7) C 15 0.58 2.00 0.073 251. BD*( 2) C 15 - C 16 /164. RY*( 3) C 16 2.94 1.29 0.131 251. BD*( 2) C 15 - C 16 /204. RY*( 3) C 20 0.64 1.52 0.067 251. BD*( 2) C 15 - C 16 /229. BD*( 1) C 1 - C 2 1.63 0.45 0.054 251. BD*( 2) C 15 - C 16 /232. BD*( 1) C 1 - H 28 1.15 0.53 0.051 251. BD*( 2) C 15 - C 16 /235. BD*( 2) C 2 - O 14 5.57 0.04 0.030 256. BD*( 2) C 17 - C 18 /165. RY*( 4) C 16 0.58 1.51 0.066 256. BD*( 2) C 17 - C 18 /175. RY*( 4) C 17 4.28 0.80 0.130 256. BD*( 2) C 17 - C 18 /184. RY*( 3) C 18 0.77 2.01 0.087 256. BD*( 2) C 17 - C 18 /185. RY*( 4) C 18 2.71 0.77 0.101 256. BD*( 2) C 17 - C 18 /195. RY*( 4) C 19 0.68 0.74 0.050 261. BD*( 2) C 19 - C 20 /185. RY*( 4) C 18 0.72 0.76 0.053 261. BD*( 2) C 19 - C 20 /194. RY*( 3) C 19 0.65 2.04 0.082 261. BD*( 2) C 19 - C 20 /195. RY*( 4) C 19 3.14 0.74 0.109 261. BD*( 2) C 19 - C 20 /205. RY*( 4) C 20 2.78 1.27 0.134 261. BD*( 2) C 19 - C 20 /235. BD*( 2) C 2 - O 14 0.73 0.04 0.010 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C14H12O2) 1. BD ( 1) C 1 - C 2 1.97453 -0.83913 78(v),251(v),142(v),264(v) 236(v),250(v),154(v),230(g) 218(v),153(v) 2. BD ( 1) C 1 - C 15 1.97297 -0.83379 235(v),250(g),253(v),260(v) 162(v),252(g),202(v),234(v) 229(g),217(v),232(g),69(v) 3. BD ( 1) C 1 - O 26 1.99393 -1.07875 252(v),234(v),235(v),153(v) 4. BD ( 1) C 1 - H 28 1.97436 -0.69473 233(v),251(v),250(v),235(v) 217(v),234(v),154(v),67(v) 230(g),153(v) 5. BD ( 1) C 2 - C 3 1.98064 -0.87276 237(g),87(v),57(v),236(g) 239(v),247(v),127(v),142(v) 234(g),232(v) 6. BD ( 1) C 2 - O 14 1.99523 -1.34618 237(v),67(g),233(g),78(v) 231(v),57(v),229(g) 7. BD ( 2) C 2 - O 14 1.98127 -0.50920 238(v),231(v),230(v),79(v) 8. BD ( 1) C 3 - C 4 1.97513 -0.90284 237(g),239(g),243(v),249(v) 233(g),229(v),67(v),98(v) 241(g),128(v),97(v),127(v) 9. BD ( 1) C 3 - C 8 1.97639 -0.91097 236(g),247(g),248(v),233(g) 241(v),118(v),234(v),249(g) 117(v),87(v),68(v) 10. BD ( 2) C 3 - C 8 1.64547 -0.29873 240(v),245(v),235(v),120(v) 89(v),130(g) 11. BD ( 1) C 4 - C 5 1.98132 -0.91608 236(g),233(v),242(g),246(v) 78(v),108(v),241(g),243(g) 107(v),77(v) 12. BD ( 2) C 4 - C 5 1.65187 -0.29854 245(v),238(v),110(v),79(v) 109(v) 13. BD ( 1) C 4 - H 13 1.98264 -0.69451 237(v),242(v),77(v),97(v) 236(g),239(g) 14. BD ( 1) C 5 - C 6 1.98204 -0.91315 239(g),244(g),88(v),248(v) 241(v),118(v),243(g),246(g) 117(v),87(v) 15. BD ( 1) C 5 - H 12 1.98449 -0.69790 236(v),244(v),107(v),239(g) 87(v),242(g),88(v) 16. BD ( 1) C 6 - C 7 1.98210 -0.91498 247(g),242(g),243(v),249(v) 98(v),127(v),128(v),248(g) 246(g),97(v) 17. BD ( 2) C 6 - C 7 1.65365 -0.30113 238(v),240(v),130(v),100(v) 99(v),120(g) 18. BD ( 1) C 6 - H 11 1.98480 -0.70473 247(v),239(v),117(v),97(v) 244(g),242(g) 19. BD ( 1) C 7 - C 8 1.98088 -0.91457 233(v),237(g),244(g),77(v) 246(v),108(v),249(g),248(g) 107(v),78(v) 20. BD ( 1) C 7 - H 10 1.98447 -0.69833 237(v),242(v),107(v),127(v) 247(g),244(g) 21. BD ( 1) C 8 - H 9 1.98219 -0.70407 236(v),244(v),77(v),117(v) 237(g),247(g) 22. BD ( 1) C 15 - C 16 1.97578 -0.91837 252(g),253(g),257(v),263(v) 230(g),173(v),57(v),254(g) 172(v),202(v),203(v),229(v) 23. BD ( 2) C 15 - C 16 1.67641 -0.31196 256(v),261(v),229(v),232(v) 204(v),175(v),174(v),235(r) 249(r),165(g) 24. BD ( 1) C 15 - C 20 1.97488 -0.91258 250(g),260(g),254(v),262(v) 193(v),230(g),231(v),57(v) 263(g),192(v),162(v),163(v) 25. BD ( 1) C 16 - C 17 1.98024 -0.91530 250(g),230(v),255(g),259(v) 152(v),183(v),254(g),257(g) 153(v),182(v) 26. BD ( 1) C 16 - H 25 1.98297 -0.70568 252(v),255(v),152(v),172(v) 250(g),253(g) 27. BD ( 1) C 17 - C 18 1.98179 -0.91610 253(g),258(g),254(v),262(v) 163(v),193(v),257(g),259(g) 192(v),162(v) 28. BD ( 2) C 17 - C 18 1.66754 -0.30512 251(v),261(v),195(v),165(v) 185(g) 29. BD ( 1) C 17 - H 24 1.98452 -0.70301 250(v),258(v),182(v),162(v) 253(g),255(g) 30. BD ( 1) C 18 - C 19 1.98194 -0.91347 260(g),255(g),257(v),263(v) 203(v),173(v),259(g),262(g) 172(v),202(v) 31. BD ( 1) C 18 - H 23 1.98466 -0.70258 253(v),260(v),192(v),172(v) 255(g),258(g) 32. BD ( 1) C 19 - C 20 1.98056 -0.91497 252(g),230(v),258(g),259(v) 153(v),183(v),263(g),152(v) 262(g),182(v) 33. BD ( 2) C 19 - C 20 1.66372 -0.30340 251(v),256(v),185(v),154(v) 204(g),155(v) 34. BD ( 1) C 19 - H 22 1.98450 -0.70088 252(v),255(v),182(v),202(v) 260(g),258(g) 35. BD ( 1) C 20 - H 21 1.98267 -0.69715 250(v),258(v),152(v),192(v) 252(g),260(g) 36. BD ( 1) O 26 - H 27 1.98944 -0.93628 229(v),57(v),61(v),60(v) 37. CR ( 1) C 1 1.99897 -11.16968 231(g),152(v),68(v),250(v) 233(v),252(v) 38. CR ( 1) C 2 1.99924 -11.19831 237(v),77(v),58(v),236(v) 39. CR ( 1) C 3 1.99892 -11.07908 88(v),128(v),68(v),249(v) 239(v),247(v),229(v),241(v) 234(v) 40. CR ( 1) C 4 1.99908 -11.08027 98(v),237(v),77(v),233(v) 242(v),78(v),243(v),141(v) 41. CR ( 1) C 5 1.99909 -11.07847 108(v),88(v),236(v),87(v) 244(v),241(v),246(v),91(v) 140(v) 42. CR ( 1) C 6 1.99909 -11.08803 98(v),118(v),247(v),239(v) 248(v),243(v),139(v) 43. CR ( 1) C 7 1.99909 -11.07931 108(v),128(v),237(v),242(v) 249(v),246(v),131(v) 44. CR ( 1) C 8 1.99907 -11.08279 78(v),118(v),233(v),236(v) 244(v),248(v),137(v) 45. CR ( 1) O 14 1.99979 -20.27999 67(v),233(v),229(v) 46. CR ( 1) C 15 1.99898 -11.08792 163(v),203(v),253(v),254(v) 260(v),263(v),58(v),62(v) 250(g) 47. CR ( 1) C 16 1.99902 -11.08036 173(v),153(v),230(v),252(v) 255(v),257(v),250(g),216(v) 48. CR ( 1) C 17 1.99909 -11.08459 183(v),163(v),250(v),258(v) 254(v),259(v),162(v),166(v) 215(v) 49. CR ( 1) C 18 1.99908 -11.08304 193(v),173(v),253(v),260(v) 257(v),262(v),214(v) 50. CR ( 1) C 19 1.99910 -11.08352 183(v),203(v),252(v),255(v) 263(v),259(v),206(v),213(v) 51. CR ( 1) C 20 1.99903 -11.07738 193(v),153(v),250(v),230(v) 258(v),152(v),262(v),212(v) 252(g) 52. CR ( 1) O 26 1.99983 -20.38823 57(v),58(v) 53. LP ( 1) O 14 1.97887 -0.93364 67(v),233(v),229(v) 54. LP ( 2) O 14 1.92392 -0.44139 229(v),233(v),69(v),70(v) 231(r) 55. LP ( 1) O 26 1.98547 -0.86191 232(v),58(v),229(v),230(v) 57(v) 56. LP ( 2) O 26 1.96983 -0.50660 230(v),232(v),59(v),62(v) 252(r) 57. RY*( 1) C 1 0.00861 1.28718 58. RY*( 2) C 1 0.00266 1.29853 59. RY*( 3) C 1 0.00186 2.19120 60. RY*( 4) C 1 0.00092 1.85027 61. RY*( 5) C 1 0.00073 2.07464 62. RY*( 6) C 1 0.00053 1.70135 63. RY*( 7) C 1 0.00040 2.09313 64. RY*( 8) C 1 0.00018 2.44660 65. RY*( 9) C 1 0.00004 4.48564 66. RY*( 10) C 1 0.00002 2.66245 67. RY*( 1) C 2 0.01780 1.06164 68. RY*( 2) C 2 0.00482 1.39518 69. RY*( 3) C 2 0.00385 2.04651 70. RY*( 4) C 2 0.00224 1.81999 71. RY*( 5) C 2 0.00123 1.88220 72. RY*( 6) C 2 0.00084 2.01893 73. RY*( 7) C 2 0.00023 2.89435 74. RY*( 8) C 2 0.00013 2.30483 75. RY*( 9) C 2 0.00006 3.94467 76. RY*( 10) C 2 0.00002 2.74226 77. RY*( 1) C 3 0.00720 1.57733 78. RY*( 2) C 3 0.00643 1.38972 79. RY*( 3) C 3 0.00118 1.01324 80. RY*( 4) C 3 0.00086 2.21375 81. RY*( 5) C 3 0.00051 1.44433 82. RY*( 6) C 3 0.00016 2.26880 83. RY*( 7) C 3 0.00013 2.63649 84. RY*( 8) C 3 0.00007 2.77324 85. RY*( 9) C 3 0.00003 4.33975 86. RY*( 10) C 3 0.00002 2.81809 87. RY*( 1) C 4 0.00699 1.45260 88. RY*( 2) C 4 0.00437 1.00352 89. RY*( 3) C 4 0.00099 1.87655 90. RY*( 4) C 4 0.00055 1.26770 91. RY*( 5) C 4 0.00027 1.41683 92. RY*( 6) C 4 0.00010 2.72462 93. RY*( 7) C 4 0.00003 2.51591 94. RY*( 8) C 4 0.00002 4.42690 95. RY*( 9) C 4 0.00000 2.31566 96. RY*( 10) C 4 0.00001 2.54959 97. RY*( 1) C 5 0.00609 1.47890 98. RY*( 2) C 5 0.00356 0.89709 99. RY*( 3) C 5 0.00072 2.21510 100. RY*( 4) C 5 0.00057 0.93934 101. RY*( 5) C 5 0.00025 1.40746 102. RY*( 6) C 5 0.00012 2.71349 103. RY*( 7) C 5 0.00001 2.29619 104. RY*( 8) C 5 0.00001 4.44378 105. RY*( 9) C 5 0.00000 2.51578 106. RY*( 10) C 5 0.00001 2.39807 107. RY*( 1) C 6 0.00600 1.47247 108. RY*( 2) C 6 0.00346 0.88501 109. RY*( 3) C 6 0.00092 2.22553 110. RY*( 4) C 6 0.00057 0.90956 111. RY*( 5) C 6 0.00018 1.47234 112. RY*( 6) C 6 0.00012 2.70773 113. RY*( 7) C 6 0.00001 2.59650 114. RY*( 8) C 6 0.00001 4.36459 115. RY*( 9) C 6 0.00001 2.51104 116. RY*( 10) C 6 0.00000 2.07660 117. RY*( 1) C 7 0.00634 1.47891 118. RY*( 2) C 7 0.00358 0.89964 119. RY*( 3) C 7 0.00074 2.12396 120. RY*( 4) C 7 0.00061 1.02859 121. RY*( 5) C 7 0.00027 1.38752 122. RY*( 6) C 7 0.00011 2.70600 123. RY*( 7) C 7 0.00001 4.44921 124. RY*( 8) C 7 0.00000 2.10349 125. RY*( 9) C 7 0.00001 2.61062 126. RY*( 10) C 7 0.00001 2.52249 127. RY*( 1) C 8 0.00584 1.50940 128. RY*( 2) C 8 0.00364 1.00736 129. RY*( 3) C 8 0.00110 1.79016 130. RY*( 4) C 8 0.00067 1.36276 131. RY*( 5) C 8 0.00026 1.46501 132. RY*( 6) C 8 0.00012 2.75288 133. RY*( 7) C 8 0.00004 2.54907 134. RY*( 8) C 8 0.00001 4.38846 135. RY*( 9) C 8 0.00001 2.37846 136. RY*( 10) C 8 0.00002 2.45663 137. RY*( 1) H 9 0.00142 0.90352 138. RY*( 1) H 10 0.00048 0.71467 139. RY*( 1) H 11 0.00046 0.70938 140. RY*( 1) H 12 0.00049 0.71588 141. RY*( 1) H 13 0.00106 0.74413 142. RY*( 1) O 14 0.00378 1.59862 143. RY*( 2) O 14 0.00037 2.26825 144. RY*( 3) O 14 0.00033 1.83749 145. RY*( 4) O 14 0.00010 1.49724 146. RY*( 5) O 14 0.00006 2.28611 147. RY*( 6) O 14 0.00002 2.97499 148. RY*( 7) O 14 0.00001 2.16713 149. RY*( 8) O 14 0.00001 2.79947 150. RY*( 9) O 14 0.00001 2.49386 151. RY*( 10) O 14 0.00000 2.40939 152. RY*( 1) C 15 0.00688 1.52937 153. RY*( 2) C 15 0.00458 1.30653 154. RY*( 3) C 15 0.00276 1.05176 155. RY*( 4) C 15 0.00096 2.23699 156. RY*( 5) C 15 0.00058 1.35980 157. RY*( 6) C 15 0.00018 2.79231 158. RY*( 7) C 15 0.00015 2.18325 159. RY*( 8) C 15 0.00007 2.63143 160. RY*( 9) C 15 0.00002 2.64274 161. RY*( 10) C 15 0.00003 4.64669 162. RY*( 1) C 16 0.00648 1.47286 163. RY*( 2) C 16 0.00379 0.96300 164. RY*( 3) C 16 0.00098 1.46624 165. RY*( 4) C 16 0.00073 1.69806 166. RY*( 5) C 16 0.00026 1.41916 167. RY*( 6) C 16 0.00010 2.74461 168. RY*( 7) C 16 0.00002 2.46657 169. RY*( 8) C 16 0.00002 4.48883 170. RY*( 9) C 16 0.00002 2.59164 171. RY*( 10) C 16 0.00001 2.25146 172. RY*( 1) C 17 0.00626 1.46969 173. RY*( 2) C 17 0.00365 0.89014 174. RY*( 3) C 17 0.00088 2.16188 175. RY*( 4) C 17 0.00063 0.98421 176. RY*( 5) C 17 0.00024 1.40348 177. RY*( 6) C 17 0.00012 2.70213 178. RY*( 7) C 17 0.00001 2.66358 179. RY*( 8) C 17 0.00001 4.43532 180. RY*( 9) C 17 0.00001 2.25096 181. RY*( 10) C 17 0.00001 2.29342 182. RY*( 1) C 18 0.00598 1.47214 183. RY*( 2) C 18 0.00343 0.88562 184. RY*( 3) C 18 0.00082 2.18895 185. RY*( 4) C 18 0.00065 0.94867 186. RY*( 5) C 18 0.00019 1.46534 187. RY*( 6) C 18 0.00012 2.71094 188. RY*( 7) C 18 0.00002 2.49006 189. RY*( 8) C 18 0.00000 2.48512 190. RY*( 9) C 18 0.00000 2.21813 191. RY*( 10) C 18 0.00001 4.37496 192. RY*( 1) C 19 0.00629 1.47256 193. RY*( 2) C 19 0.00367 0.89286 194. RY*( 3) C 19 0.00087 2.22370 195. RY*( 4) C 19 0.00057 0.92786 196. RY*( 5) C 19 0.00026 1.39824 197. RY*( 6) C 19 0.00012 2.70133 198. RY*( 7) C 19 0.00001 2.43443 199. RY*( 8) C 19 0.00001 4.43736 200. RY*( 9) C 19 0.00001 2.54932 201. RY*( 10) C 19 0.00000 2.22940 202. RY*( 1) C 20 0.00617 1.47248 203. RY*( 2) C 20 0.00375 0.96707 204. RY*( 3) C 20 0.00088 1.70242 205. RY*( 4) C 20 0.00061 1.45878 206. RY*( 5) C 20 0.00025 1.38418 207. RY*( 6) C 20 0.00010 2.72840 208. RY*( 7) C 20 0.00003 2.67092 209. RY*( 8) C 20 0.00001 4.36557 210. RY*( 9) C 20 0.00001 2.21337 211. RY*( 10) C 20 0.00001 2.57680 212. RY*( 1) H 21 0.00110 0.76664 213. RY*( 1) H 22 0.00047 0.71263 214. RY*( 1) H 23 0.00046 0.71087 215. RY*( 1) H 24 0.00048 0.70995 216. RY*( 1) H 25 0.00100 0.77455 217. RY*( 1) O 26 0.00216 1.38812 218. RY*( 2) O 26 0.00159 1.55253 219. RY*( 3) O 26 0.00043 1.95439 220. RY*( 4) O 26 0.00007 1.61278 221. RY*( 5) O 26 0.00001 3.98252 222. RY*( 6) O 26 0.00002 2.18696 223. RY*( 7) O 26 0.00001 2.57186 224. RY*( 8) O 26 0.00002 2.48765 225. RY*( 9) O 26 0.00001 2.34764 226. RY*( 10) O 26 0.00001 2.40735 227. RY*( 1) H 27 0.00108 0.78424 228. RY*( 1) H 28 0.00179 0.79593 229. BD*( 1) C 1 - C 2 0.05345 0.62769 230. BD*( 1) C 1 - C 15 0.03242 0.66242 231. BD*( 1) C 1 - O 26 0.01240 0.54737 232. BD*( 1) C 1 - H 28 0.02103 0.70746 233. BD*( 1) C 2 - C 3 0.04917 0.72353 234. BD*( 1) C 2 - O 14 0.00686 0.86400 235. BD*( 2) C 2 - O 14 0.09369 0.22378 236. BD*( 1) C 3 - C 4 0.01937 0.85358 237. BD*( 1) C 3 - C 8 0.02031 0.85894 238. BD*( 2) C 3 - C 8 0.36180 0.18372 245(v),240(v),235(v),129(g) 79(g),120(v),130(g),80(g) 89(v) 239. BD*( 1) C 4 - C 5 0.01290 0.87509 240. BD*( 2) C 4 - C 5 0.29172 0.19498 245(v),238(v),100(g),90(g) 110(v) 241. BD*( 1) C 4 - H 13 0.01060 0.76928 242. BD*( 1) C 5 - C 6 0.01429 0.85835 243. BD*( 1) C 5 - H 12 0.01008 0.75580 244. BD*( 1) C 6 - C 7 0.01405 0.86043 245. BD*( 2) C 6 - C 7 0.32197 0.18463 238(v),240(v),110(g),120(g) 119(g),130(v),109(g) 246. BD*( 1) C 6 - H 11 0.00961 0.75251 247. BD*( 1) C 7 - C 8 0.01362 0.86806 248. BD*( 1) C 7 - H 10 0.00988 0.75404 249. BD*( 1) C 8 - H 9 0.01128 0.77829 250. BD*( 1) C 15 - C 16 0.02091 0.85872 251. BD*( 2) C 15 - C 16 0.35017 0.17918 256(v),261(v),235(r),164(g) 229(v),232(v),154(g),204(v) 155(g),158(g) 252. BD*( 1) C 15 - C 20 0.01977 0.85545 253. BD*( 1) C 16 - C 17 0.01353 0.86099 254. BD*( 1) C 16 - H 25 0.01160 0.74626 255. BD*( 1) C 17 - C 18 0.01407 0.86125 256. BD*( 2) C 17 - C 18 0.32163 0.18363 261(v),251(v),175(g),185(g) 184(g),195(v),165(v) 257. BD*( 1) C 17 - H 24 0.00969 0.75015 258. BD*( 1) C 18 - C 19 0.01406 0.85844 259. BD*( 1) C 18 - H 23 0.00975 0.75315 260. BD*( 1) C 19 - C 20 0.01345 0.86756 261. BD*( 2) C 19 - C 20 0.31094 0.18755 256(v),251(v),195(g),205(g) 185(v),194(g),235(r) 262. BD*( 1) C 19 - H 22 0.00964 0.75427 263. BD*( 1) C 20 - H 21 0.01088 0.76173 264. BD*( 1) O 26 - H 27 0.00507 0.70027 ------------------------------- Total Lewis 109.25657 ( 97.5505%) Valence non-Lewis 2.52567 ( 2.2551%) Rydberg non-Lewis 0.21776 ( 0.1944%) ------------------------------- Total unit 1 112.00000 (100.0000%) Charge unit 1 0.00000 1\1\GINC-COMPUTE-0-1\SP\RMP2-FC\6-31G(d)\C14H12O2\ZDANOVSKAIA\01-Jun-2 018\0\\#N MP2/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity \\R-Benzoin (Conformer 3)\\0,1\C\C,1,1.529176908\C,2,1.48749809,1,121. 0749224\C,3,1.403508991,2,117.1543425,1,-165.1876228,0\C,4,1.391974319 ,3,120.1096794,2,-178.3070278,0\C,5,1.398203582,4,120.0552934,3,1.1443 9749,0\C,6,1.396628956,5,119.8680042,4,-0.42021856,0\C,3,1.40273524,4, 119.8639961,5,-1.19953768,0\H,8,1.082974674,3,120.2465327,4,-179.68067 99,0\H,7,1.087409929,8,119.6059081,3,-179.5940418,0\H,6,1.087594497,5, 120.0789952,4,179.7656779,0\H,5,1.087388018,6,120.047983,7,-179.937003 9,0\H,4,1.086567467,5,121.2295025,6,-179.0561732,0\O,2,1.2338669,3,121 .295113,4,16.5573512,0\C,1,1.521090374,2,109.3794361,3,-85.50700778,0\ C,15,1.398196033,1,121.3092484,2,121.4531819,0\C,16,1.397167256,15,120 .1392502,1,179.3221899,0\C,17,1.395463406,16,120.256989,15,0.14041976, 0\C,18,1.397865864,17,119.6660255,16,-0.07719175,0\C,19,1.394356728,18 ,120.2518627,17,-0.041027,0\H,20,1.088315618,19,120.3600851,18,179.864 1282,0\H,19,1.087484725,18,120.0608939,17,179.9623723,0\H,18,1.0872381 39,17,120.1754858,16,179.9051994,0\H,17,1.087673294,16,119.6858426,15, -179.9647915,0\H,16,1.086748668,15,119.7021247,1,-0.90049212,0\O,1,1.4 26190179,2,109.2058421,3,39.58113369,0\H,26,0.974121666,1,106.7535913, 2,165.1617765,0\H,1,1.099232884,2,104.5245798,3,157.7857563,0\\Version =EM64L-G09RevD.01\State=1-A\HF=-686.8581613\MP2=-688.9876443\RMSD=4.77 8e-09\PG=C01 [X(C14H12O2)]\\@ There are more things in heaven and earth, Horatio, than are dreamt of in your philosophy. -- Hamlet, Act I, Scene 5 Job cpu time: 0 days 0 hours 10 minutes 18.1 seconds. File lengths (MBytes): RWF= 4831 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Fri Jun 1 17:17:34 2018.